1 ASN 3 N 0.0063 0.0050 -0.0153 2 ASN 3 HN 0.0093 0.0037 -0.0091 3 ASN 3 CA 0.0040 0.0007 -0.0188 4 ASN 3 HA 0.0020 0.0051 -0.0239 5 ASN 3 CB 0.0070 -0.0005 -0.0125 6 ASN 3 HB1 0.0052 -0.0038 -0.0152 7 ASN 3 HB2 0.0093 -0.0046 -0.0070 8 ASN 3 CG 0.0095 0.0088 -0.0100 9 ASN 3 OD1 0.0080 0.0132 -0.0141 10 ASN 3 ND2 0.0135 0.0119 -0.0029 11 ASN 3 HD21 0.0151 0.0180 -0.0013 12 ASN 3 HD22 0.0144 0.0087 -0.0004 13 ASN 3 C 0.0011 -0.0085 -0.0223 14 ASN 3 O 0.0010 -0.0121 -0.0215 15 ARG 4 N -0.0090 -0.0153 -0.0324 16 ARG 4 HN -0.0089 -0.0154 -0.0387 17 ARG 4 CA -0.0156 -0.0157 -0.0284 18 ARG 4 HA -0.0144 -0.0154 -0.0216 19 ARG 4 CB -0.0158 -0.0158 -0.0328 20 ARG 4 HB1 -0.0201 -0.0160 -0.0290 21 ARG 4 HB2 -0.0185 -0.0162 -0.0394 22 ARG 4 CG -0.0071 -0.0151 -0.0337 23 ARG 4 HG1 -0.0083 -0.0153 -0.0368 24 ARG 4 HG2 -0.0029 -0.0149 -0.0382 25 ARG 4 CD -0.0022 -0.0145 -0.0252 26 ARG 4 HD1 -0.0007 -0.0143 -0.0222 27 ARG 4 HD2 -0.0061 -0.0147 -0.0206 28 ARG 4 NE 0.0058 -0.0139 -0.0275 29 ARG 4 HE 0.0059 -0.0141 -0.0330 30 ARG 4 CZ 0.0131 -0.0132 -0.0231 31 ARG 4 NH1 0.0140 -0.0129 -0.0160 32 ARG 4 HH11 0.0095 -0.0132 -0.0146 33 ARG 4 HH12 0.0198 -0.0124 -0.0134 34 ARG 4 NH2 0.0197 -0.0128 -0.0259 35 ARG 4 HH21 0.0252 -0.0122 -0.0227 36 ARG 4 HH22 0.0192 -0.0130 -0.0314 37 ARG 4 C -0.0247 -0.0164 -0.0292 38 ARG 4 O -0.0306 -0.0168 -0.0246 39 ALA 5 N -0.0085 -0.0051 -0.0089 40 ALA 5 HN -0.0085 -0.0035 -0.0081 41 ALA 5 CA -0.0059 -0.0054 -0.0082 42 ALA 5 HA -0.0063 -0.0069 -0.0090 43 ALA 5 CB -0.0056 -0.0025 -0.0068 44 ALA 5 HB1 -0.0036 -0.0027 -0.0062 45 ALA 5 HB2 -0.0076 -0.0018 -0.0070 46 ALA 5 HB3 -0.0054 -0.0009 -0.0059 47 ALA 5 C -0.0031 -0.0065 -0.0079 48 ALA 5 O -0.0028 -0.0059 -0.0075 49 PHE 6 N -0.0075 -0.0007 -0.0058 50 PHE 6 HN -0.0093 -0.0017 -0.0065 51 PHE 6 CA -0.0044 -0.0028 -0.0036 52 PHE 6 HA -0.0024 -0.0012 -0.0030 53 PHE 6 CB -0.0053 -0.0069 -0.0031 54 PHE 6 HB1 -0.0032 -0.0088 -0.0016 55 PHE 6 HB2 -0.0078 -0.0083 -0.0041 56 PHE 6 CG -0.0056 -0.0065 -0.0034 57 PHE 6 CD1 -0.0087 -0.0056 -0.0053 58 PHE 6 HD1 -0.0109 -0.0052 -0.0066 59 PHE 6 CE1 -0.0089 -0.0049 -0.0056 60 PHE 6 HE1 -0.0113 -0.0040 -0.0070 61 PHE 6 CZ -0.0060 -0.0053 -0.0039 62 PHE 6 HZ -0.0061 -0.0047 -0.0041 63 PHE 6 CD2 -0.0027 -0.0070 -0.0017 64 PHE 6 HD2 -0.0004 -0.0079 -0.0003 65 PHE 6 CE2 -0.0029 -0.0064 -0.0020 66 PHE 6 HE2 -0.0007 -0.0067 -0.0007 67 PHE 6 C -0.0025 -0.0031 -0.0026 68 PHE 6 O -0.0040 -0.0032 -0.0034 69 LYS 7 N -0.0025 0.0012 0.0038 70 LYS 7 HN -0.0008 0.0003 0.0044 71 LYS 7 CA -0.0008 0.0020 0.0036 72 LYS 7 HA -0.0028 0.0026 0.0030 73 LYS 7 CB 0.0021 0.0049 0.0024 74 LYS 7 HB1 0.0006 0.0072 0.0011 75 LYS 7 HB2 0.0033 0.0054 0.0023 76 LYS 7 CG 0.0052 0.0045 0.0029 77 LYS 7 HG1 0.0062 0.0020 0.0043 78 LYS 7 HG2 0.0041 0.0048 0.0027 79 LYS 7 CD 0.0086 0.0070 0.0021 80 LYS 7 HD1 0.0078 0.0095 0.0007 81 LYS 7 HD2 0.0092 0.0069 0.0022 82 LYS 7 CE 0.0121 0.0060 0.0029 83 LYS 7 HE1 0.0145 0.0076 0.0023 84 LYS 7 HE2 0.0127 0.0034 0.0042 85 LYS 7 NZ 0.0121 0.0066 0.0026 86 LYS 7 HZ1 0.0125 0.0091 0.0014 87 LYS 7 HZ2 0.0095 0.0059 0.0027 88 LYS 7 HZ3 0.0141 0.0053 0.0034 89 LYS 7 C 0.0011 -0.0010 0.0052 90 LYS 7 O 0.0021 -0.0033 0.0065 91 SER 8 N -0.0035 0.0021 0.0012 92 SER 8 HN -0.0036 0.0029 0.0012 93 SER 8 CA -0.0022 -0.0000 0.0019 94 SER 8 HA -0.0019 -0.0003 0.0021 95 SER 8 CB -0.0032 -0.0022 0.0012 96 SER 8 HB1 -0.0047 -0.0025 0.0002 97 SER 8 HB2 -0.0023 -0.0039 0.0017 98 SER 8 OG -0.0036 -0.0020 0.0009 99 SER 8 HG1 -0.0046 -0.0006 0.0004 100 SER 8 C -0.0003 0.0004 0.0032 101 SER 8 O -0.0002 0.0021 0.0034 102 HIS 9 N -0.0032 0.0063 -0.0041 103 HIS 9 HN -0.0034 0.0048 -0.0042 104 HIS 9 CA -0.0010 0.0061 -0.0015 105 HIS 9 HA 0.0001 0.0048 -0.0001 106 HIS 9 CB -0.0012 0.0035 -0.0016 107 HIS 9 HB1 0.0005 0.0032 0.0004 108 HIS 9 HB2 -0.0026 0.0044 -0.0033 109 HIS 9 CD2 -0.0040 -0.0022 -0.0047 110 HIS 9 HD2 -0.0056 -0.0016 -0.0066 111 HIS 9 CG -0.0019 -0.0002 -0.0023 112 HIS 9 NE2 -0.0036 -0.0054 -0.0041 113 HIS 9 HE2 -0.0048 -0.0074 -0.0055 114 HIS 9 ND1 -0.0003 -0.0020 -0.0004 115 HIS 9 HD1 0.0013 -0.0012 0.0015 116 HIS 9 CE1 -0.0014 -0.0051 -0.0016 117 HIS 9 HE1 -0.0007 -0.0072 -0.0007 118 HIS 9 C 0.0003 0.0097 -0.0001 119 HIS 9 O 0.0010 0.0117 0.0008 120 HIS 10 N 0.0063 0.0276 -0.0109 121 HIS 10 HN 0.0114 0.0256 -0.0111 122 HIS 10 CA 0.0006 0.0220 -0.0060 123 HIS 10 HA -0.0056 0.0250 -0.0061 124 HIS 10 CB -0.0005 0.0163 -0.0023 125 HIS 10 HB1 -0.0052 0.0123 0.0014 126 HIS 10 HB2 0.0058 0.0127 -0.0019 127 HIS 10 CD2 -0.0001 0.0198 -0.0045 128 HIS 10 HD2 0.0064 0.0174 -0.0049 129 HIS 10 CG -0.0039 0.0200 -0.0036 130 HIS 10 NE2 -0.0066 0.0231 -0.0047 131 HIS 10 HE2 -0.0061 0.0236 -0.0052 132 HIS 10 ND1 -0.0125 0.0232 -0.0031 133 HIS 10 HD1 -0.0168 0.0240 -0.0024 134 HIS 10 CE1 -0.0138 0.0251 -0.0039 135 HIS 10 HE1 -0.0201 0.0277 -0.0037 136 HIS 10 C 0.0046 0.0171 -0.0041 137 HIS 10 O 0.0013 0.0113 0.0002 138 GLY 11 N 0.0054 0.0128 0.0006 139 GLY 11 HN 0.0048 0.0121 0.0020 140 GLY 11 CA 0.0048 0.0131 0.0011 141 GLY 11 HA1 0.0055 0.0140 -0.0005 142 GLY 11 HA2 0.0052 0.0113 0.0021 143 GLY 11 C 0.0025 0.0147 0.0025 144 GLY 11 O 0.0018 0.0149 0.0031 145 HIS 12 N -0.0019 0.0081 0.0008 146 HIS 12 HN -0.0013 0.0072 0.0020 147 HIS 12 CA -0.0044 0.0074 -0.0002 148 HIS 12 HA -0.0048 0.0086 -0.0016 149 HIS 12 CB -0.0056 0.0055 0.0007 150 HIS 12 HB1 -0.0074 0.0049 0.0001 151 HIS 12 HB2 -0.0048 0.0044 0.0022 152 HIS 12 CD2 -0.0071 0.0052 0.0000 153 HIS 12 HD2 -0.0088 0.0041 -0.0001 154 HIS 12 CG -0.0055 0.0059 0.0005 155 HIS 12 NE2 -0.0062 0.0060 -0.0001 156 HIS 12 HE2 -0.0070 0.0057 -0.0004 157 HIS 12 ND1 -0.0035 0.0072 0.0006 158 HIS 12 HD1 -0.0020 0.0079 0.0009 159 HIS 12 CE1 -0.0040 0.0072 0.0002 160 HIS 12 HE1 -0.0029 0.0081 0.0001 161 HIS 12 C -0.0052 0.0069 -0.0003 162 HIS 12 O -0.0042 0.0062 0.0010 163 PHE 13 N -0.0010 0.0044 0.0040 164 PHE 13 HN -0.0014 0.0055 0.0038 165 PHE 13 CA -0.0033 0.0040 0.0033 166 PHE 13 HA -0.0026 0.0038 0.0035 167 PHE 13 CB -0.0053 0.0065 0.0024 168 PHE 13 HB1 -0.0069 0.0064 0.0019 169 PHE 13 HB2 -0.0063 0.0065 0.0021 170 PHE 13 CG -0.0037 0.0093 0.0028 171 PHE 13 CD1 -0.0024 0.0098 0.0032 172 PHE 13 HD1 -0.0024 0.0083 0.0033 173 PHE 13 CE1 -0.0008 0.0124 0.0036 174 PHE 13 HE1 0.0003 0.0128 0.0039 175 PHE 13 CZ -0.0007 0.0144 0.0035 176 PHE 13 HZ 0.0005 0.0164 0.0037 177 PHE 13 CD2 -0.0036 0.0114 0.0027 178 PHE 13 HD2 -0.0046 0.0109 0.0024 179 PHE 13 CE2 -0.0021 0.0139 0.0030 180 PHE 13 HE2 -0.0019 0.0155 0.0030 181 PHE 13 C -0.0048 0.0012 0.0029 182 PHE 13 O -0.0050 0.0003 0.0029 183 LEU 14 N -0.0030 -0.0005 -0.0005 184 LEU 14 HN -0.0033 0.0002 -0.0004 185 LEU 14 CA -0.0037 -0.0019 -0.0014 186 LEU 14 HA -0.0030 -0.0027 -0.0012 187 LEU 14 CB -0.0040 -0.0028 -0.0019 188 LEU 14 HB1 -0.0046 -0.0039 -0.0025 189 LEU 14 HB2 -0.0048 -0.0020 -0.0020 190 LEU 14 CG -0.0026 -0.0034 -0.0012 191 LEU 14 HG -0.0021 -0.0023 -0.0006 192 LEU 14 CD1 -0.0029 -0.0045 -0.0018 193 LEU 14 HD11 -0.0034 -0.0056 -0.0024 194 LEU 14 HD12 -0.0019 -0.0048 -0.0013 195 LEU 14 HD13 -0.0038 -0.0037 -0.0020 196 LEU 14 CD2 -0.0013 -0.0045 -0.0009 197 LEU 14 HD21 -0.0009 -0.0037 -0.0004 198 LEU 14 HD22 -0.0003 -0.0050 -0.0005 199 LEU 14 HD23 -0.0017 -0.0055 -0.0015 200 LEU 14 C -0.0052 -0.0013 -0.0020 201 LEU 14 O -0.0061 -0.0001 -0.0021 202 SER 15 N 0.0022 0.0034 -0.0029 203 SER 15 HN 0.0033 0.0028 -0.0031 204 SER 15 CA 0.0025 0.0032 -0.0028 205 SER 15 HA 0.0013 0.0039 -0.0032 206 SER 15 CB 0.0031 0.0029 -0.0008 207 SER 15 HB1 0.0035 0.0027 -0.0008 208 SER 15 HB2 0.0042 0.0023 -0.0003 209 SER 15 OG 0.0017 0.0037 0.0005 210 SER 15 HG1 0.0010 0.0040 0.0002 211 SER 15 C 0.0038 0.0025 -0.0043 212 SER 15 O 0.0050 0.0019 -0.0049 213 ALA 16 N 0.0119 0.0077 -0.0041 214 ALA 16 HN 0.0118 0.0081 -0.0043 215 ALA 16 CA 0.0118 0.0072 -0.0046 216 ALA 16 HA 0.0119 0.0068 -0.0044 217 ALA 16 CB 0.0116 0.0075 -0.0051 218 ALA 16 HB1 0.0117 0.0078 -0.0048 219 ALA 16 HB2 0.0115 0.0080 -0.0054 220 ALA 16 HB3 0.0115 0.0072 -0.0055 221 ALA 16 C 0.0117 0.0069 -0.0050 222 ALA 16 O 0.0116 0.0073 -0.0052 223 GLU 17 N 0.0193 0.0036 -0.0041 224 GLU 17 HN 0.0166 0.0052 0.0015 225 GLU 17 CA 0.0142 0.0022 -0.0089 226 GLU 17 HA 0.0185 0.0009 -0.0133 227 GLU 17 CB 0.0063 0.0008 -0.0139 228 GLU 17 HB1 0.0014 0.0004 -0.0154 229 GLU 17 HB2 0.0030 0.0020 -0.0096 230 GLU 17 CG 0.0085 -0.0017 -0.0225 231 GLU 17 HG1 0.0132 -0.0014 -0.0215 232 GLU 17 HG2 0.0115 -0.0029 -0.0269 233 GLU 17 CD 0.0000 -0.0028 -0.0265 234 GLU 17 OE1 0.0001 -0.0038 -0.0303 235 GLU 17 OE2 -0.0072 -0.0023 -0.0250 236 GLU 17 C 0.0100 0.0039 -0.0031 237 GLU 17 O 0.0055 0.0056 0.0030 238 GLY 18 N 0.0050 0.0109 0.0010 239 GLY 18 HN 0.0045 0.0089 0.0034 240 GLY 18 CA 0.0018 0.0164 0.0092 241 GLY 18 HA1 0.0016 0.0252 0.0060 242 GLY 18 HA2 -0.0006 0.0163 0.0171 243 GLY 18 C 0.0019 0.0102 0.0115 244 GLY 18 O 0.0013 0.0011 0.0172 245 GLU 19 N -0.0012 0.0122 0.0124 246 GLU 19 HN 0.0010 0.0169 0.0106 247 GLU 19 CA -0.0005 -0.0017 0.0170 248 GLU 19 HA -0.0052 -0.0060 0.0190 249 GLU 19 CB -0.0081 -0.0060 0.0193 250 GLU 19 HB1 -0.0071 -0.0168 0.0228 251 GLU 19 HB2 -0.0032 -0.0019 0.0174 252 GLU 19 CG -0.0234 -0.0025 0.0197 253 GLU 19 HG1 -0.0253 0.0081 0.0163 254 GLU 19 HG2 -0.0284 -0.0071 0.0217 255 GLU 19 CD -0.0303 -0.0073 0.0220 256 GLU 19 OE1 -0.0268 -0.0183 0.0253 257 GLU 19 OE2 -0.0393 0.0000 0.0205 258 GLU 19 C 0.0141 -0.0072 0.0174 259 GLU 19 O 0.0162 -0.0186 0.0210 260 ALA 20 N 0.0079 -0.0036 0.0091 261 ALA 20 HN 0.0076 -0.0019 0.0084 262 ALA 20 CA 0.0104 -0.0043 0.0096 263 ALA 20 HA 0.0106 -0.0061 0.0103 264 ALA 20 CB 0.0110 -0.0043 0.0096 265 ALA 20 HB1 0.0129 -0.0050 0.0100 266 ALA 20 HB2 0.0096 -0.0053 0.0099 267 ALA 20 HB3 0.0109 -0.0024 0.0088 268 ALA 20 C 0.0124 -0.0029 0.0091 269 ALA 20 O 0.0119 -0.0011 0.0084 270 VAL 21 N 0.0082 -0.0029 0.0016 271 VAL 21 HN 0.0085 -0.0031 0.0012 272 VAL 21 CA 0.0077 -0.0026 0.0022 273 VAL 21 HA 0.0074 -0.0024 0.0027 274 VAL 21 CB 0.0070 -0.0025 0.0017 275 VAL 21 HB 0.0073 -0.0027 0.0013 276 VAL 21 CG1 0.0064 -0.0021 0.0023 277 VAL 21 HG11 0.0067 -0.0021 0.0027 278 VAL 21 HG12 0.0061 -0.0019 0.0027 279 VAL 21 HG13 0.0059 -0.0020 0.0019 280 VAL 21 CG2 0.0065 -0.0024 0.0010 281 VAL 21 HG21 0.0060 -0.0023 0.0007 282 VAL 21 HG22 0.0062 -0.0022 0.0014 283 VAL 21 HG23 0.0069 -0.0027 0.0006 284 VAL 21 C 0.0082 -0.0027 0.0027 285 VAL 21 O 0.0088 -0.0030 0.0023 286 LYS 22 N 0.0083 -0.0020 0.0007 287 LYS 22 HN 0.0075 -0.0019 0.0014 288 LYS 22 CA 0.0085 -0.0027 0.0023 289 LYS 22 HA 0.0089 -0.0025 0.0014 290 LYS 22 CB 0.0105 -0.0042 0.0038 291 LYS 22 HB1 0.0121 -0.0044 0.0025 292 LYS 22 HB2 0.0108 -0.0048 0.0049 293 LYS 22 CG 0.0100 -0.0047 0.0055 294 LYS 22 HG1 0.0091 -0.0050 0.0072 295 LYS 22 HG2 0.0088 -0.0038 0.0047 296 LYS 22 CD 0.0122 -0.0058 0.0058 297 LYS 22 HD1 0.0115 -0.0059 0.0068 298 LYS 22 HD2 0.0132 -0.0055 0.0040 299 LYS 22 CE 0.0139 -0.0072 0.0072 300 LYS 22 HE1 0.0148 -0.0072 0.0061 301 LYS 22 HE2 0.0129 -0.0074 0.0089 302 LYS 22 NZ 0.0157 -0.0082 0.0078 303 LYS 22 HZ1 0.0167 -0.0092 0.0090 304 LYS 22 HZ2 0.0167 -0.0081 0.0064 305 LYS 22 HZ3 0.0147 -0.0081 0.0086 306 LYS 22 C 0.0062 -0.0023 0.0039 307 LYS 22 O 0.0047 -0.0018 0.0043 308 THR 23 N -0.0005 -0.0070 0.0006 309 THR 23 HN 0.0001 -0.0064 0.0001 310 THR 23 CA -0.0012 -0.0077 0.0005 311 THR 23 HA -0.0019 -0.0084 0.0007 312 THR 23 CB -0.0014 -0.0075 -0.0008 313 THR 23 HB -0.0006 -0.0068 -0.0010 314 THR 23 OG1 -0.0017 -0.0076 -0.0019 315 THR 23 HG1 -0.0017 -0.0074 -0.0027 316 THR 23 CG2 -0.0022 -0.0082 -0.0009 317 THR 23 HG21 -0.0023 -0.0081 -0.0019 318 THR 23 HG22 -0.0019 -0.0082 -0.0002 319 THR 23 HG23 -0.0029 -0.0089 -0.0006 320 THR 23 C -0.0009 -0.0076 0.0016 321 THR 23 O 0.0000 -0.0069 0.0019 322 HIS 24 N -0.0017 -0.0013 0.0027 323 HIS 24 HN -0.0028 -0.0006 0.0024 324 HIS 24 CA -0.0014 -0.0013 0.0041 325 HIS 24 HA -0.0002 -0.0020 0.0045 326 HIS 24 CB -0.0020 -0.0010 0.0035 327 HIS 24 HB1 -0.0032 -0.0002 0.0030 328 HIS 24 HB2 -0.0014 -0.0016 0.0023 329 HIS 24 CD2 -0.0025 -0.0002 0.0050 330 HIS 24 HD2 -0.0036 0.0004 0.0043 331 HIS 24 CG -0.0017 -0.0009 0.0048 332 HIS 24 NE2 -0.0017 -0.0005 0.0063 333 HIS 24 HE2 -0.0020 -0.0002 0.0067 334 HIS 24 ND1 -0.0004 -0.0016 0.0059 335 HIS 24 HD1 0.0005 -0.0022 0.0060 336 HIS 24 CE1 -0.0004 -0.0013 0.0068 337 HIS 24 HE1 0.0005 -0.0018 0.0078 338 HIS 24 C -0.0020 -0.0004 0.0058 339 HIS 24 O -0.0033 0.0005 0.0058 340 HIS 25 N -0.0081 0.0019 0.0074 341 HIS 25 HN -0.0087 -0.0017 0.0066 342 HIS 25 CA -0.0064 0.0058 0.0108 343 HIS 25 HA -0.0051 0.0074 0.0136 344 HIS 25 CB -0.0053 0.0027 0.0138 345 HIS 25 HB1 -0.0044 -0.0005 0.0167 346 HIS 25 HB2 -0.0041 0.0058 0.0162 347 HIS 25 CD2 -0.0077 0.0011 0.0085 348 HIS 25 HD2 -0.0072 0.0050 0.0088 349 HIS 25 CG -0.0070 -0.0004 0.0103 350 HIS 25 NE2 -0.0092 -0.0035 0.0057 351 HIS 25 HE2 -0.0101 -0.0038 0.0037 352 HIS 25 ND1 -0.0080 -0.0058 0.0089 353 HIS 25 HD1 -0.0078 -0.0080 0.0098 354 HIS 25 CE1 -0.0094 -0.0076 0.0061 355 HIS 25 HE1 -0.0104 -0.0117 0.0043 356 HIS 25 C -0.0072 0.0109 0.0078 357 HIS 25 O -0.0059 0.0154 0.0101 358 GLY 26 N -0.0051 0.0101 0.0077 359 GLY 26 HN -0.0053 0.0093 0.0073 360 GLY 26 CA -0.0049 0.0109 0.0067 361 GLY 26 HA1 -0.0047 0.0119 0.0068 362 GLY 26 HA2 -0.0050 0.0105 0.0057 363 GLY 26 C -0.0050 0.0108 0.0068 364 GLY 26 O -0.0052 0.0098 0.0073 365 HIS 27 N -0.0012 0.0111 0.0059 366 HIS 27 HN 0.0023 0.0091 0.0095 367 HIS 27 CA -0.0002 0.0110 -0.0015 368 HIS 27 HA 0.0052 0.0083 -0.0025 369 HIS 27 CB -0.0032 0.0129 -0.0082 370 HIS 27 HB1 -0.0019 0.0126 -0.0135 371 HIS 27 HB2 -0.0087 0.0157 -0.0076 372 HIS 27 CD2 -0.0036 0.0131 -0.0081 373 HIS 27 HD2 -0.0088 0.0157 -0.0070 374 HIS 27 CG -0.0005 0.0116 -0.0087 375 HIS 27 NE2 0.0013 0.0107 -0.0088 376 HIS 27 HE2 0.0007 0.0109 -0.0082 377 HIS 27 ND1 0.0063 0.0082 -0.0099 378 HIS 27 HD1 0.0098 0.0065 -0.0107 379 HIS 27 CE1 0.0071 0.0078 -0.0099 380 HIS 27 HE1 0.0120 0.0053 -0.0106 381 HIS 27 C -0.0025 0.0122 -0.0008 382 HIS 27 O -0.0078 0.0147 0.0024 383 HIS 28 N 0.0066 -0.0020 0.0012 384 HIS 28 HN 0.0056 -0.0031 0.0009 385 HIS 28 CA 0.0121 -0.0042 0.0005 386 HIS 28 HA 0.0139 -0.0065 -0.0002 387 HIS 28 CB 0.0115 -0.0086 -0.0007 388 HIS 28 HB1 0.0092 -0.0123 -0.0017 389 HIS 28 HB2 0.0159 -0.0101 -0.0012 390 HIS 28 CD2 0.0035 -0.0094 -0.0009 391 HIS 28 HD2 0.0008 -0.0128 -0.0018 392 HIS 28 CG 0.0083 -0.0070 -0.0002 393 HIS 28 NE2 0.0022 -0.0070 -0.0002 394 HIS 28 HE2 -0.0011 -0.0080 -0.0004 395 HIS 28 ND1 0.0101 -0.0030 0.0009 396 HIS 28 HD1 0.0135 -0.0005 0.0015 397 HIS 28 CE1 0.0062 -0.0031 0.0009 398 HIS 28 HE1 0.0064 -0.0002 0.0017 399 HIS 28 C 0.0169 -0.0000 0.0016 400 HIS 28 O 0.0220 -0.0015 0.0012 401 ASP 29 N -0.0004 -0.0012 0.0031 402 ASP 29 HN -0.0004 -0.0005 0.0018 403 ASP 29 CA 0.0001 -0.0007 0.0035 404 ASP 29 HA 0.0009 -0.0003 0.0051 405 ASP 29 CB 0.0008 0.0011 0.0019 406 ASP 29 HB1 0.0013 0.0015 0.0021 407 ASP 29 HB2 0.0001 0.0008 0.0002 408 ASP 29 CG 0.0021 0.0026 0.0021 409 ASP 29 OD1 0.0026 0.0040 0.0006 410 ASP 29 OD2 0.0026 0.0025 0.0038 411 ASP 29 C -0.0010 -0.0022 0.0035 412 ASP 29 O -0.0023 -0.0032 0.0022 413 HIS 30 N -0.0176 -0.0240 0.0118 414 HIS 30 HN -0.0192 -0.0287 0.0072 415 HIS 30 CA -0.0139 -0.0162 0.0099 416 HIS 30 HA -0.0120 -0.0111 0.0133 417 HIS 30 CB -0.0120 -0.0147 -0.0004 418 HIS 30 HB1 -0.0091 -0.0085 -0.0015 419 HIS 30 HB2 -0.0138 -0.0196 -0.0038 420 HIS 30 CD2 -0.0133 -0.0204 -0.0113 421 HIS 30 HD2 -0.0153 -0.0257 -0.0148 422 HIS 30 CG -0.0116 -0.0149 -0.0048 423 HIS 30 NE2 -0.0119 -0.0176 -0.0130 424 HIS 30 HE2 -0.0126 -0.0204 -0.0173 425 HIS 30 ND1 -0.0092 -0.0088 -0.0025 426 HIS 30 HD1 -0.0075 -0.0040 0.0020 427 HIS 30 CE1 -0.0094 -0.0107 -0.0076 428 HIS 30 HE1 -0.0079 -0.0072 -0.0073 429 HIS 30 C -0.0143 -0.0161 0.0137 430 HIS 30 O -0.0169 -0.0222 0.0133 431 HIS 31 N -0.0093 0.0073 0.0076 432 HIS 31 HN -0.0106 0.0076 0.0083 433 HIS 31 CA -0.0087 0.0061 0.0052 434 HIS 31 HA -0.0067 0.0062 0.0050 435 HIS 31 CB -0.0096 0.0057 0.0046 436 HIS 31 HB1 -0.0095 0.0047 0.0028 437 HIS 31 HB2 -0.0116 0.0058 0.0051 438 HIS 31 CD2 -0.0086 0.0075 0.0076 439 HIS 31 HD2 -0.0099 0.0080 0.0090 440 HIS 31 CG -0.0082 0.0064 0.0057 441 HIS 31 NE2 -0.0069 0.0077 0.0077 442 HIS 31 HE2 -0.0066 0.0084 0.0089 443 HIS 31 ND1 -0.0063 0.0060 0.0044 444 HIS 31 HD1 -0.0056 0.0052 0.0029 445 HIS 31 CE1 -0.0055 0.0067 0.0057 446 HIS 31 HE1 -0.0040 0.0067 0.0052 447 HIS 31 C -0.0098 0.0052 0.0036 448 HIS 31 O -0.0117 0.0052 0.0041 449 THR 32 N -0.0050 0.0060 -0.0038 450 THR 32 HN -0.0045 0.0069 -0.0056 451 THR 32 CA -0.0051 0.0063 -0.0053 452 THR 32 HA -0.0043 0.0063 -0.0029 453 THR 32 CB -0.0031 0.0089 -0.0085 454 THR 32 HB -0.0040 0.0089 -0.0111 455 THR 32 OG1 0.0001 0.0110 -0.0069 456 THR 32 HG1 0.0000 0.0104 -0.0049 457 THR 32 CG2 -0.0031 0.0093 -0.0098 458 THR 32 HG21 -0.0015 0.0113 -0.0120 459 THR 32 HG22 -0.0055 0.0078 -0.0113 460 THR 32 HG23 -0.0022 0.0093 -0.0073 461 THR 32 C -0.0085 0.0040 -0.0069 462 THR 32 O -0.0102 0.0034 -0.0095 463 HIS 33 N -0.0098 0.0026 -0.0130 464 HIS 33 HN -0.0083 0.0035 -0.0097 465 HIS 33 CA -0.0151 -0.0009 -0.0157 466 HIS 33 HA -0.0167 -0.0018 -0.0184 467 HIS 33 CB -0.0193 -0.0039 -0.0105 468 HIS 33 HB1 -0.0233 -0.0065 -0.0127 469 HIS 33 HB2 -0.0179 -0.0031 -0.0076 470 HIS 33 CD2 -0.0184 -0.0035 -0.0054 471 HIS 33 HD2 -0.0157 -0.0016 -0.0087 472 HIS 33 CG -0.0203 -0.0048 -0.0057 473 HIS 33 NE2 -0.0204 -0.0051 0.0002 474 HIS 33 HE2 -0.0196 -0.0046 0.0020 475 HIS 33 ND1 -0.0236 -0.0072 -0.0004 476 HIS 33 HD1 -0.0255 -0.0086 0.0006 477 HIS 33 CE1 -0.0235 -0.0073 0.0030 478 HIS 33 HE1 -0.0255 -0.0089 0.0077 479 HIS 33 C -0.0145 -0.0003 -0.0205 480 HIS 33 O -0.0123 0.0012 -0.0188 481 PHE 34 N -0.0104 -0.0019 -0.0114 482 PHE 34 HN -0.0120 -0.0024 -0.0114 483 PHE 34 CA -0.0100 -0.0007 -0.0143 484 PHE 34 HA -0.0077 -0.0001 -0.0143 485 PHE 34 CB -0.0103 0.0002 -0.0168 486 PHE 34 HB1 -0.0102 0.0011 -0.0191 487 PHE 34 HB2 -0.0125 -0.0004 -0.0168 488 PHE 34 CG -0.0076 0.0008 -0.0164 489 PHE 34 CD1 -0.0046 0.0018 -0.0170 490 PHE 34 HD1 -0.0042 0.0022 -0.0178 491 PHE 34 CE1 -0.0022 0.0024 -0.0167 492 PHE 34 HE1 0.0001 0.0032 -0.0173 493 PHE 34 CZ -0.0027 0.0019 -0.0158 494 PHE 34 HZ -0.0009 0.0023 -0.0156 495 PHE 34 CD2 -0.0081 0.0003 -0.0155 496 PHE 34 HD2 -0.0104 -0.0005 -0.0150 497 PHE 34 CE2 -0.0057 0.0008 -0.0152 498 PHE 34 HE2 -0.0061 0.0004 -0.0144 499 PHE 34 C -0.0123 -0.0010 -0.0152 500 PHE 34 O -0.0151 -0.0018 -0.0151 501 HIS 35 N -0.0097 0.0030 -0.0176 502 HIS 35 HN -0.0097 0.0067 -0.0159 503 HIS 35 CA -0.0095 -0.0016 -0.0145 504 HIS 35 HA -0.0095 -0.0054 -0.0164 505 HIS 35 CB -0.0093 -0.0015 -0.0085 506 HIS 35 HB1 -0.0092 -0.0045 -0.0058 507 HIS 35 HB2 -0.0093 0.0027 -0.0067 508 HIS 35 CD2 -0.0094 0.0003 -0.0091 509 HIS 35 HD2 -0.0095 0.0048 -0.0097 510 HIS 35 CG -0.0093 -0.0030 -0.0085 511 HIS 35 NE2 -0.0093 -0.0028 -0.0086 512 HIS 35 HE2 -0.0093 -0.0014 -0.0089 513 HIS 35 ND1 -0.0092 -0.0082 -0.0076 514 HIS 35 HD1 -0.0091 -0.0116 -0.0068 515 HIS 35 CE1 -0.0092 -0.0078 -0.0077 516 HIS 35 HE1 -0.0091 -0.0114 -0.0070 517 HIS 35 C -0.0095 -0.0011 -0.0144 518 HIS 35 O -0.0095 0.0031 -0.0128 519 VAL 36 N 0.0015 -0.0017 -0.0115 520 VAL 36 HN 0.0049 -0.0038 -0.0146 521 VAL 36 CA 0.0021 -0.0013 -0.0053 522 VAL 36 HA -0.0024 0.0013 -0.0037 523 VAL 36 CB 0.0056 -0.0032 -0.0061 524 VAL 36 HB 0.0101 -0.0058 -0.0079 525 VAL 36 CG1 0.0064 -0.0028 0.0007 526 VAL 36 HG11 0.0092 -0.0039 0.0045 527 VAL 36 HG12 0.0019 -0.0003 0.0028 528 VAL 36 HG13 0.0085 -0.0041 -0.0001 529 VAL 36 CG2 0.0023 -0.0020 -0.0114 530 VAL 36 HG21 -0.0022 0.0005 -0.0097 531 VAL 36 HG22 0.0017 -0.0023 -0.0164 532 VAL 36 HG23 0.0049 -0.0035 -0.0121 533 VAL 36 C 0.0052 -0.0023 0.0001 534 VAL 36 O 0.0101 -0.0050 -0.0009 535 GLU 37 N 0.0045 0.0015 0.0044 536 GLU 37 HN 0.0018 0.0028 0.0049 537 GLU 37 CA 0.0049 0.0003 0.0086 538 GLU 37 HA 0.0077 -0.0010 0.0076 539 GLU 37 CB 0.0004 0.0026 0.0095 540 GLU 37 HB1 -0.0026 0.0039 0.0109 541 GLU 37 HB2 -0.0003 0.0038 0.0057 542 GLU 37 CG 0.0007 0.0015 0.0133 543 GLU 37 HG1 0.0038 0.0002 0.0120 544 GLU 37 HG2 0.0010 0.0005 0.0173 545 GLU 37 CD -0.0035 0.0039 0.0133 546 GLU 37 OE1 -0.0073 0.0054 0.0156 547 GLU 37 OE2 -0.0032 0.0042 0.0107 548 GLU 37 C 0.0058 -0.0013 0.0134 549 GLU 37 O 0.0037 -0.0004 0.0147 550 ASN 38 N 0.0029 -0.0025 0.0107 551 ASN 38 HN 0.0101 -0.0046 0.0055 552 ASN 38 CA 0.0058 0.0012 0.0245 553 ASN 38 HA -0.0001 0.0026 0.0273 554 ASN 38 CB 0.0208 0.0006 0.0272 555 ASN 38 HB1 0.0218 -0.0005 0.0237 556 ASN 38 HB2 0.0233 0.0034 0.0378 557 ASN 38 CG 0.0310 -0.0023 0.0204 558 ASN 38 OD1 0.0327 -0.0016 0.0234 559 ASN 38 ND2 0.0385 -0.0057 0.0109 560 ASN 38 HD21 0.0453 -0.0075 0.0068 561 ASN 38 HD22 0.0375 -0.0062 0.0089 562 ASN 38 C 0.0015 0.0042 0.0335 563 ASN 38 O 0.0014 0.0032 0.0301 564 HIS 39 N 0.0029 -0.0024 0.0165 565 HIS 39 HN 0.0056 -0.0028 0.0182 566 HIS 39 CA 0.0015 -0.0074 0.0142 567 HIS 39 HA -0.0023 -0.0070 0.0119 568 HIS 39 CB 0.0036 -0.0094 0.0150 569 HIS 39 HB1 0.0033 -0.0136 0.0136 570 HIS 39 HB2 0.0074 -0.0090 0.0175 571 HIS 39 CD2 0.0025 -0.0021 0.0163 572 HIS 39 HD2 0.0053 0.0002 0.0188 573 HIS 39 CG 0.0013 -0.0063 0.0144 574 HIS 39 NE2 -0.0008 -0.0010 0.0145 575 HIS 39 HE2 -0.0012 0.0022 0.0152 576 HIS 39 ND1 -0.0026 -0.0080 0.0114 577 HIS 39 HD1 -0.0042 -0.0110 0.0095 578 HIS 39 CE1 -0.0037 -0.0047 0.0116 579 HIS 39 HE1 -0.0068 -0.0048 0.0097 580 HIS 39 C 0.0030 -0.0117 0.0139 581 HIS 39 O 0.0044 -0.0163 0.0135 582 GLY 40 N -0.1446 0.0253 -0.1729 583 GLY 40 HN -0.1401 0.2277 -0.2179 584 GLY 40 CA -0.0642 -0.0886 -0.0456 585 GLY 40 HA1 -0.1247 -0.3031 -0.0667 586 GLY 40 HA2 -0.0831 0.0367 -0.1001 587 GLY 40 C 0.1357 -0.0681 0.1951 588 GLY 40 O 0.2278 0.1369 0.2573 589 GLY 41 N 0.0197 0.0203 0.0274 590 GLY 41 HN 0.0582 0.0549 -0.0007 591 GLY 41 CA -0.0280 0.0227 -0.0237 592 GLY 41 HA1 -0.0169 0.0622 -0.0879 593 GLY 41 HA2 -0.0952 -0.0126 -0.0223 594 GLY 41 C -0.0050 0.0194 0.0050 595 GLY 41 O -0.0560 0.0057 -0.0188 596 LYS 42 N 0.0138 -0.0058 0.0116 597 LYS 42 HN 0.0156 -0.0052 0.0140 598 LYS 42 CA 0.0121 -0.0056 0.0095 599 LYS 42 HA 0.0106 -0.0072 0.0070 600 LYS 42 CB 0.0109 -0.0011 0.0091 601 LYS 42 HB1 0.0101 -0.0010 0.0082 602 LYS 42 HB2 0.0124 0.0008 0.0116 603 LYS 42 CG 0.0085 0.0007 0.0066 604 LYS 42 HG1 0.0091 0.0008 0.0075 605 LYS 42 HG2 0.0071 -0.0014 0.0043 606 LYS 42 CD 0.0069 0.0050 0.0058 607 LYS 42 HD1 0.0050 0.0057 0.0036 608 LYS 42 HD2 0.0064 0.0048 0.0051 609 LYS 42 CE 0.0083 0.0086 0.0086 610 LYS 42 HE1 0.0071 0.0115 0.0079 611 LYS 42 HE2 0.0103 0.0080 0.0109 612 LYS 42 NZ 0.0088 0.0093 0.0095 613 LYS 42 HZ1 0.0096 0.0119 0.0112 614 LYS 42 HZ2 0.0071 0.0096 0.0073 615 LYS 42 HZ3 0.0102 0.0067 0.0105 616 LYS 42 C 0.0137 -0.0080 0.0108 617 LYS 42 O 0.0161 -0.0080 0.0138 618 VAL 43 N 0.0041 0.0017 0.0113 619 VAL 43 HN 0.0041 0.0017 0.0111 620 VAL 43 CA 0.0040 0.0018 0.0101 621 VAL 43 HA 0.0044 0.0017 0.0104 622 VAL 43 CB 0.0048 0.0018 0.0090 623 VAL 43 HB 0.0048 0.0019 0.0082 624 VAL 43 CG1 0.0063 0.0016 0.0094 625 VAL 43 HG11 0.0069 0.0016 0.0085 626 VAL 43 HG12 0.0066 0.0015 0.0098 627 VAL 43 HG13 0.0063 0.0015 0.0101 628 VAL 43 CG2 0.0043 0.0020 0.0084 629 VAL 43 HG21 0.0049 0.0020 0.0076 630 VAL 43 HG22 0.0042 0.0019 0.0092 631 VAL 43 HG23 0.0033 0.0022 0.0080 632 VAL 43 C 0.0026 0.0021 0.0097 633 VAL 43 O 0.0017 0.0021 0.0101 634 ALA 44 N 0.0013 -0.0000 0.0070 635 ALA 44 HN 0.0014 0.0001 0.0068 636 ALA 44 CA 0.0000 0.0010 0.0066 637 ALA 44 HA 0.0000 0.0008 0.0068 638 ALA 44 CB -0.0016 0.0010 0.0073 639 ALA 44 HB1 -0.0019 -0.0000 0.0082 640 ALA 44 HB2 -0.0017 0.0013 0.0071 641 ALA 44 HB3 -0.0026 0.0017 0.0070 642 ALA 44 C 0.0005 0.0023 0.0054 643 ALA 44 O 0.0012 0.0025 0.0050 644 LEU 45 N -0.0039 0.0031 -0.0013 645 LEU 45 HN -0.0044 0.0036 -0.0010 646 LEU 45 CA -0.0037 0.0035 -0.0025 647 LEU 45 HA -0.0031 0.0029 -0.0028 648 LEU 45 CB -0.0035 0.0040 -0.0036 649 LEU 45 HB1 -0.0034 0.0044 -0.0045 650 LEU 45 HB2 -0.0042 0.0047 -0.0033 651 LEU 45 CG -0.0027 0.0031 -0.0039 652 LEU 45 HG -0.0028 0.0027 -0.0030 653 LEU 45 CD1 -0.0027 0.0037 -0.0049 654 LEU 45 HD11 -0.0020 0.0030 -0.0051 655 LEU 45 HD12 -0.0033 0.0043 -0.0045 656 LEU 45 HD13 -0.0026 0.0041 -0.0058 657 LEU 45 CD2 -0.0018 0.0022 -0.0043 658 LEU 45 HD21 -0.0018 0.0026 -0.0049 659 LEU 45 HD22 -0.0016 0.0015 -0.0035 660 LEU 45 HD23 -0.0012 0.0018 -0.0050 661 LEU 45 C -0.0045 0.0045 -0.0024 662 LEU 45 O -0.0053 0.0053 -0.0020 663 LYS 46 N -0.0029 0.0126 -0.0029 664 LYS 46 HN -0.0027 0.0111 -0.0032 665 LYS 46 CA -0.0034 0.0141 -0.0017 666 LYS 46 HA -0.0035 0.0157 -0.0019 667 LYS 46 CB -0.0039 0.0135 0.0006 668 LYS 46 HB1 -0.0040 0.0132 0.0012 669 LYS 46 HB2 -0.0042 0.0149 0.0015 670 LYS 46 CG -0.0038 0.0115 0.0013 671 LYS 46 HG1 -0.0037 0.0118 0.0009 672 LYS 46 HG2 -0.0034 0.0101 0.0003 673 LYS 46 CD -0.0043 0.0110 0.0036 674 LYS 46 HD1 -0.0043 0.0104 0.0039 675 LYS 46 HD2 -0.0047 0.0125 0.0045 676 LYS 46 CE -0.0043 0.0092 0.0045 677 LYS 46 HE1 -0.0044 0.0098 0.0044 678 LYS 46 HE2 -0.0040 0.0077 0.0036 679 LYS 46 NZ -0.0048 0.0088 0.0068 680 LYS 46 HZ1 -0.0047 0.0077 0.0068 681 LYS 46 HZ2 -0.0050 0.0080 0.0076 682 LYS 46 HZ3 -0.0052 0.0102 0.0075 683 LYS 46 C -0.0032 0.0143 -0.0027 684 LYS 46 O -0.0027 0.0129 -0.0038 685 THR 47 N -0.0015 0.0130 -0.0041 686 THR 47 HN -0.0006 0.0129 -0.0045 687 THR 47 CA -0.0015 0.0128 -0.0026 688 THR 47 HA -0.0021 0.0129 -0.0023 689 THR 47 CB -0.0001 0.0125 -0.0019 690 THR 47 HB -0.0003 0.0124 -0.0008 691 THR 47 OG1 0.0007 0.0124 -0.0021 692 THR 47 HG1 0.0016 0.0122 -0.0018 693 THR 47 CG2 0.0007 0.0125 -0.0026 694 THR 47 HG21 0.0009 0.0126 -0.0037 695 THR 47 HG22 0.0017 0.0123 -0.0021 696 THR 47 HG23 0.0001 0.0125 -0.0025 697 THR 47 C -0.0023 0.0128 -0.0020 698 THR 47 O -0.0026 0.0130 -0.0027 699 HIS 48 N -0.0067 0.0141 -0.0055 700 HIS 48 HN -0.0063 0.0140 -0.0047 701 HIS 48 CA -0.0088 0.0116 0.0016 702 HIS 48 HA -0.0141 0.0104 0.0003 703 HIS 48 CB -0.0099 0.0095 0.0081 704 HIS 48 HB1 -0.0148 0.0087 0.0061 705 HIS 48 HB2 -0.0117 0.0076 0.0135 706 HIS 48 CD2 0.0016 0.0104 0.0170 707 HIS 48 HD2 0.0012 0.0088 0.0224 708 HIS 48 CG -0.0029 0.0109 0.0101 709 HIS 48 NE2 0.0070 0.0123 0.0158 710 HIS 48 HE2 0.0110 0.0123 0.0198 711 HIS 48 ND1 -0.0004 0.0131 0.0048 712 HIS 48 HD1 -0.0027 0.0139 -0.0006 713 HIS 48 CE1 0.0056 0.0138 0.0084 714 HIS 48 HE1 0.0089 0.0155 0.0060 715 HIS 48 C -0.0026 0.0125 0.0047 716 HIS 48 O -0.0044 0.0110 0.0084 717 CYS 49 N 0.0127 0.0156 -0.0063 718 CYS 49 HN 0.0063 0.0126 0.0037 719 CYS 49 CA 0.0201 0.0059 -0.0201 720 CYS 49 HA 0.0257 0.0063 -0.0292 721 CYS 49 CB 0.0157 -0.0140 -0.0164 722 CYS 49 HB1 0.0105 -0.0143 -0.0079 723 CYS 49 HB2 0.0117 -0.0189 -0.0107 724 CYS 49 SG 0.0243 -0.0290 -0.0332 725 CYS 49 HG1 0.0295 -0.0174 -0.0397 726 CYS 49 C 0.0245 0.0145 -0.0258 727 CYS 49 O 0.0309 0.0084 -0.0374 728 GLY 50 N 0.0051 0.0204 0.0059 729 GLY 50 HN 0.0067 0.0213 0.0068 730 GLY 50 CA 0.0048 0.0193 0.0068 731 GLY 50 HA1 0.0038 0.0196 0.0052 732 GLY 50 HA2 0.0065 0.0201 0.0081 733 GLY 50 C 0.0035 0.0167 0.0085 734 GLY 50 O 0.0026 0.0155 0.0088 735 LYS 51 N 0.0017 0.0083 0.0070 736 LYS 51 HN 0.0013 0.0080 0.0075 737 LYS 51 CA 0.0020 0.0085 0.0067 738 LYS 51 HA 0.0026 0.0088 0.0062 739 LYS 51 CB 0.0024 0.0079 0.0071 740 LYS 51 HB1 0.0027 0.0081 0.0068 741 LYS 51 HB2 0.0017 0.0077 0.0075 742 LYS 51 CG 0.0030 0.0072 0.0075 743 LYS 51 HG1 0.0031 0.0067 0.0079 744 LYS 51 HG2 0.0027 0.0071 0.0077 745 LYS 51 CD 0.0040 0.0073 0.0070 746 LYS 51 HD1 0.0039 0.0078 0.0066 747 LYS 51 HD2 0.0043 0.0075 0.0068 748 LYS 51 CE 0.0046 0.0067 0.0073 749 LYS 51 HE1 0.0046 0.0062 0.0078 750 LYS 51 HE2 0.0044 0.0066 0.0075 751 LYS 51 NZ 0.0056 0.0067 0.0069 752 LYS 51 HZ1 0.0060 0.0063 0.0071 753 LYS 51 HZ2 0.0058 0.0067 0.0068 754 LYS 51 HZ3 0.0057 0.0072 0.0064 755 LYS 51 C 0.0013 0.0091 0.0064 756 LYS 51 O 0.0005 0.0091 0.0068 757 TYR 52 N -0.0015 0.0049 0.0079 758 TYR 52 HN -0.0018 0.0044 0.0075 759 TYR 52 CA -0.0012 0.0038 0.0072 760 TYR 52 HA -0.0014 0.0044 0.0075 761 TYR 52 CB -0.0024 0.0025 0.0059 762 TYR 52 HB1 -0.0019 0.0015 0.0054 763 TYR 52 HB2 -0.0024 0.0020 0.0056 764 TYR 52 CG -0.0043 0.0030 0.0059 765 TYR 52 CD1 -0.0055 0.0040 0.0062 766 TYR 52 HD1 -0.0051 0.0043 0.0066 767 TYR 52 CE1 -0.0073 0.0045 0.0062 768 TYR 52 HE1 -0.0082 0.0052 0.0065 769 TYR 52 CZ -0.0080 0.0040 0.0057 770 TYR 52 OH -0.0098 0.0046 0.0056 771 TYR 52 HH -0.0100 0.0041 0.0052 772 TYR 52 CD2 -0.0050 0.0026 0.0054 773 TYR 52 HD2 -0.0041 0.0019 0.0051 774 TYR 52 CE2 -0.0068 0.0031 0.0053 775 TYR 52 HE2 -0.0073 0.0027 0.0049 776 TYR 52 C 0.0008 0.0030 0.0071 777 TYR 52 O 0.0016 0.0026 0.0070 778 LEU 53 N -0.0035 0.0003 -0.0012 779 LEU 53 HN -0.0035 0.0006 -0.0012 780 LEU 53 CA -0.0023 -0.0003 -0.0011 781 LEU 53 HA -0.0022 0.0001 -0.0010 782 LEU 53 CB -0.0009 0.0001 -0.0009 783 LEU 53 HB1 -0.0000 -0.0006 -0.0008 784 LEU 53 HB2 -0.0010 -0.0002 -0.0009 785 LEU 53 CG -0.0004 0.0016 -0.0007 786 LEU 53 HG -0.0004 0.0019 -0.0007 787 LEU 53 CD1 -0.0013 0.0028 -0.0008 788 LEU 53 HD11 -0.0009 0.0039 -0.0007 789 LEU 53 HD12 -0.0024 0.0028 -0.0009 790 LEU 53 HD13 -0.0013 0.0026 -0.0008 791 LEU 53 CD2 0.0012 0.0018 -0.0005 792 LEU 53 HD21 0.0019 0.0011 -0.0004 793 LEU 53 HD22 0.0015 0.0029 -0.0004 794 LEU 53 HD23 0.0013 0.0016 -0.0005 795 LEU 53 C -0.0024 -0.0019 -0.0012 796 LEU 53 O -0.0029 -0.0027 -0.0013 797 SER 54 N -0.0054 -0.0077 -0.0028 798 SER 54 HN -0.0037 -0.0080 -0.0009 799 SER 54 CA -0.0040 -0.0078 -0.0062 800 SER 54 HA -0.0061 -0.0074 -0.0081 801 SER 54 CB -0.0016 -0.0080 -0.0070 802 SER 54 HB1 0.0005 -0.0084 -0.0052 803 SER 54 HB2 -0.0031 -0.0079 -0.0067 804 SER 54 OG -0.0003 -0.0080 -0.0105 805 SER 54 HG1 -0.0022 -0.0078 -0.0119 806 SER 54 C -0.0020 -0.0080 -0.0064 807 SER 54 O -0.0007 -0.0083 -0.0039 808 ILE 55 N -0.0073 -0.0011 -0.0097 809 ILE 55 HN -0.0080 -0.0006 -0.0112 810 ILE 55 CA -0.0062 -0.0020 -0.0090 811 ILE 55 HA -0.0058 -0.0023 -0.0073 812 ILE 55 CB -0.0071 -0.0013 -0.0092 813 ILE 55 HB -0.0072 -0.0012 -0.0110 814 ILE 55 CG2 -0.0090 0.0001 -0.0081 815 ILE 55 HG21 -0.0090 -0.0000 -0.0063 816 ILE 55 HG22 -0.0099 0.0008 -0.0091 817 ILE 55 HG23 -0.0097 0.0006 -0.0081 818 ILE 55 CG1 -0.0060 -0.0022 -0.0080 819 ILE 55 HG11 -0.0048 -0.0030 -0.0091 820 ILE 55 HG12 -0.0069 -0.0015 -0.0079 821 ILE 55 CD -0.0052 -0.0028 -0.0056 822 ILE 55 HD1 -0.0041 -0.0035 -0.0058 823 ILE 55 HD2 -0.0064 -0.0020 -0.0045 824 ILE 55 HD3 -0.0046 -0.0033 -0.0048 825 ILE 55 C -0.0043 -0.0033 -0.0103 826 ILE 55 O -0.0031 -0.0042 -0.0101 827 GLY 56 N -0.0083 0.0059 -0.0263 828 GLY 56 HN -0.0072 -0.0002 -0.0224 829 GLY 56 CA 0.0015 0.0139 -0.0232 830 GLY 56 HA1 0.0036 0.0101 -0.0198 831 GLY 56 HA2 0.0073 0.0145 -0.0194 832 GLY 56 C 0.0013 0.0264 -0.0294 833 GLY 56 O -0.0032 0.0320 -0.0354 834 ASP 57 N 0.0141 0.0444 -0.0466 835 ASP 57 HN 0.0093 0.0396 -0.0666 836 ASP 57 CA -0.0025 0.0281 -0.0264 837 ASP 57 HA 0.0031 0.0337 -0.0109 838 ASP 57 CB -0.0210 0.0098 -0.0441 839 ASP 57 HB1 -0.0342 -0.0031 -0.0295 840 ASP 57 HB2 -0.0268 0.0041 -0.0602 841 ASP 57 CG -0.0152 0.0155 -0.0616 842 ASP 57 OD1 0.0018 0.0323 -0.0565 843 ASP 57 OD2 -0.0286 0.0023 -0.0795 844 ASP 57 C -0.0111 0.0197 -0.0090 845 ASP 57 O -0.0276 0.0035 0.0048 846 HIS 58 N -0.0254 -0.0057 -0.0018 847 HIS 58 HN -0.0303 -0.0010 -0.0014 848 HIS 58 CA -0.0161 -0.0044 0.0044 849 HIS 58 HA -0.0110 -0.0107 0.0030 850 HIS 58 CB -0.0146 -0.0011 0.0076 851 HIS 58 HB1 -0.0206 0.0047 0.0081 852 HIS 58 HB2 -0.0147 -0.0065 0.0038 853 HIS 58 CD2 -0.0047 0.0091 0.0203 854 HIS 58 HD2 -0.0100 0.0150 0.0213 855 HIS 58 CG -0.0058 0.0015 0.0145 856 HIS 58 NE2 0.0048 0.0081 0.0251 857 HIS 58 HE2 0.0079 0.0123 0.0298 858 HIS 58 ND1 0.0028 -0.0043 0.0155 859 HIS 58 HD1 0.0042 -0.0104 0.0121 860 HIS 58 CE1 0.0090 -0.0001 0.0219 861 HIS 58 HE1 0.0165 -0.0029 0.0243 862 HIS 58 C -0.0140 0.0017 0.0099 863 HIS 58 O -0.0200 0.0060 0.0094 864 LYS 59 N -0.0079 0.0027 0.0155 865 LYS 59 HN -0.0109 0.0055 0.0152 866 LYS 59 CA -0.0045 0.0007 0.0110 867 LYS 59 HA -0.0020 -0.0021 0.0130 868 LYS 59 CB -0.0061 0.0033 0.0072 869 LYS 59 HB1 -0.0035 0.0019 0.0035 870 LYS 59 HB2 -0.0087 0.0063 0.0053 871 LYS 59 CG -0.0077 0.0039 0.0102 872 LYS 59 HG1 -0.0085 0.0056 0.0070 873 LYS 59 HG2 -0.0108 0.0060 0.0131 874 LYS 59 CD -0.0046 0.0001 0.0137 875 LYS 59 HD1 -0.0059 0.0009 0.0153 876 LYS 59 HD2 -0.0046 -0.0010 0.0175 877 LYS 59 CE 0.0001 -0.0034 0.0107 878 LYS 59 HE1 0.0019 -0.0059 0.0136 879 LYS 59 HE2 0.0016 -0.0045 0.0096 880 LYS 59 NZ 0.0004 -0.0023 0.0055 881 LYS 59 HZ1 -0.0012 -0.0010 0.0063 882 LYS 59 HZ2 -0.0010 -0.0002 0.0026 883 LYS 59 HZ3 0.0036 -0.0048 0.0038 884 LYS 59 C -0.0022 -0.0004 0.0071 885 LYS 59 O 0.0017 -0.0034 0.0052 886 GLN 60 N 0.0027 -0.0035 0.0074 887 GLN 60 HN 0.0028 -0.0025 0.0079 888 GLN 60 CA 0.0025 -0.0038 0.0080 889 GLN 60 HA 0.0026 -0.0045 0.0070 890 GLN 60 CB 0.0028 -0.0019 0.0085 891 GLN 60 HB1 0.0026 -0.0022 0.0088 892 GLN 60 HB2 0.0026 -0.0012 0.0097 893 GLN 60 CG 0.0036 -0.0006 0.0070 894 GLN 60 HG1 0.0038 0.0005 0.0073 895 GLN 60 HG2 0.0038 -0.0000 0.0069 896 GLN 60 CD 0.0040 -0.0015 0.0051 897 GLN 60 OE1 0.0043 -0.0018 0.0041 898 GLN 60 NE2 0.0040 -0.0019 0.0047 899 GLN 60 HE21 0.0038 -0.0017 0.0056 900 GLN 60 HE22 0.0043 -0.0023 0.0035 901 GLN 60 C 0.0016 -0.0048 0.0096 902 GLN 60 O 0.0013 -0.0046 0.0107 903 VAL 61 N 0.0049 -0.0074 0.0058 904 VAL 61 HN 0.0048 -0.0074 0.0063 905 VAL 61 CA 0.0041 -0.0072 0.0056 906 VAL 61 HA 0.0040 -0.0073 0.0048 907 VAL 61 CB 0.0032 -0.0069 0.0061 908 VAL 61 HB 0.0034 -0.0069 0.0069 909 VAL 61 CG1 0.0024 -0.0067 0.0059 910 VAL 61 HG11 0.0022 -0.0068 0.0051 911 VAL 61 HG12 0.0017 -0.0065 0.0063 912 VAL 61 HG13 0.0025 -0.0067 0.0063 913 VAL 61 CG2 0.0029 -0.0069 0.0057 914 VAL 61 HG21 0.0022 -0.0067 0.0060 915 VAL 61 HG22 0.0028 -0.0069 0.0049 916 VAL 61 HG23 0.0034 -0.0070 0.0058 917 VAL 61 C 0.0043 -0.0073 0.0057 918 VAL 61 O 0.0047 -0.0073 0.0065 919 TYR 62 N 0.0008 -0.0143 0.0123 920 TYR 62 HN 0.0003 -0.0132 0.0116 921 TYR 62 CA 0.0013 -0.0151 0.0104 922 TYR 62 HA 0.0020 -0.0164 0.0113 923 TYR 62 CB 0.0020 -0.0159 0.0080 924 TYR 62 HB1 0.0013 -0.0145 0.0068 925 TYR 62 HB2 0.0025 -0.0170 0.0086 926 TYR 62 CG 0.0028 -0.0175 0.0065 927 TYR 62 CD1 0.0026 -0.0167 0.0041 928 TYR 62 HD1 0.0017 -0.0149 0.0034 929 TYR 62 CE1 0.0034 -0.0181 0.0028 930 TYR 62 HE1 0.0032 -0.0175 0.0010 931 TYR 62 CZ 0.0045 -0.0203 0.0037 932 TYR 62 OH 0.0053 -0.0217 0.0024 933 TYR 62 HH 0.0058 -0.0228 0.0036 934 TYR 62 CD2 0.0039 -0.0197 0.0073 935 TYR 62 HD2 0.0041 -0.0204 0.0091 936 TYR 62 CE2 0.0047 -0.0212 0.0060 937 TYR 62 HE2 0.0056 -0.0229 0.0067 938 TYR 62 C 0.0004 -0.0131 0.0097 939 TYR 62 O -0.0007 -0.0111 0.0098 940 LEU 63 N 0.0027 -0.0069 0.0102 941 LEU 63 HN 0.0017 -0.0071 0.0098 942 LEU 63 CA 0.0021 -0.0049 0.0090 943 LEU 63 HA 0.0032 -0.0048 0.0095 944 LEU 63 CB 0.0028 -0.0023 0.0081 945 LEU 63 HB1 0.0012 -0.0020 0.0072 946 LEU 63 HB2 0.0045 -0.0022 0.0089 947 LEU 63 CG 0.0033 0.0000 0.0073 948 LEU 63 HG 0.0018 -0.0003 0.0067 949 LEU 63 CD1 0.0058 0.0002 0.0085 950 LEU 63 HD11 0.0074 0.0004 0.0092 951 LEU 63 HD12 0.0062 0.0018 0.0079 952 LEU 63 HD13 0.0059 -0.0016 0.0093 953 LEU 63 CD2 0.0032 0.0025 0.0061 954 LEU 63 HD21 0.0037 0.0041 0.0056 955 LEU 63 HD22 0.0045 0.0027 0.0067 956 LEU 63 HD23 0.0013 0.0024 0.0052 957 LEU 63 C -0.0006 -0.0055 0.0080 958 LEU 63 O -0.0022 -0.0058 0.0073 959 SER 64 N 0.0038 -0.0046 0.0100 960 SER 64 HN 0.0031 -0.0040 0.0101 961 SER 64 CA 0.0035 -0.0050 0.0085 962 SER 64 HA 0.0045 -0.0058 0.0083 963 SER 64 CB 0.0030 -0.0053 0.0070 964 SER 64 HB1 0.0021 -0.0045 0.0072 965 SER 64 HB2 0.0039 -0.0060 0.0070 966 SER 64 OG 0.0026 -0.0057 0.0054 967 SER 64 HG1 0.0016 -0.0050 0.0052 968 SER 64 C 0.0024 -0.0042 0.0084 969 SER 64 O 0.0014 -0.0031 0.0091 970 HIS 65 N 0.0049 -0.0046 0.0174 971 HIS 65 HN 0.0060 -0.0080 0.0161 972 HIS 65 CA 0.0059 -0.0022 0.0118 973 HIS 65 HA 0.0047 0.0003 0.0141 974 HIS 65 CB 0.0086 -0.0083 0.0075 975 HIS 65 HB1 0.0099 -0.0109 0.0050 976 HIS 65 HB2 0.0085 -0.0125 0.0111 977 HIS 65 CD2 0.0116 -0.0054 -0.0050 978 HIS 65 HD2 0.0128 -0.0068 -0.0082 979 HIS 65 CG 0.0096 -0.0059 0.0020 980 HIS 65 NE2 0.0117 -0.0026 -0.0076 981 HIS 65 HE2 0.0129 -0.0014 -0.0126 982 HIS 65 ND1 0.0085 -0.0035 0.0040 983 HIS 65 HD1 0.0071 -0.0033 0.0088 984 HIS 65 CE1 0.0098 -0.0015 -0.0020 985 HIS 65 HE1 0.0094 0.0009 -0.0025 986 HIS 65 C 0.0061 0.0034 0.0070 987 HIS 65 O 0.0074 0.0019 0.0037 988 HIS 66 N 0.0040 -0.0025 0.0102 989 HIS 66 HN 0.0016 -0.0037 0.0148 990 HIS 66 CA 0.0005 0.0033 0.0047 991 HIS 66 HA -0.0041 0.0049 0.0072 992 HIS 66 CB 0.0048 0.0044 -0.0019 993 HIS 66 HB1 0.0018 0.0089 -0.0057 994 HIS 66 HB2 0.0097 0.0028 -0.0047 995 HIS 66 CD2 0.0123 0.0001 -0.0031 996 HIS 66 HD2 0.0168 -0.0002 -0.0077 997 HIS 66 CG 0.0066 0.0020 -0.0001 998 HIS 66 NE2 0.0113 -0.0015 0.0006 999 HIS 66 HE2 0.0143 -0.0028 -0.0007 1000 HIS 66 ND1 0.0021 0.0017 0.0055 1001 HIS 66 HD1 -0.0025 0.0029 0.0087 1002 HIS 66 CE1 0.0051 -0.0004 0.0057 1003 HIS 66 HE1 0.0028 -0.0013 0.0095 1004 HIS 66 C -0.0023 0.0064 0.0028 1005 HIS 66 O -0.0013 0.0041 0.0054 1006 LEU 67 N -0.0048 -0.0033 0.0062 1007 LEU 67 HN -0.0067 -0.0033 0.0063 1008 LEU 67 CA -0.0033 -0.0052 0.0051 1009 LEU 67 HA -0.0014 -0.0045 0.0055 1010 LEU 67 CB -0.0045 -0.0063 0.0046 1011 LEU 67 HB1 -0.0065 -0.0071 0.0043 1012 LEU 67 HB2 -0.0048 -0.0048 0.0054 1013 LEU 67 CG -0.0029 -0.0081 0.0036 1014 LEU 67 HG -0.0030 -0.0098 0.0027 1015 LEU 67 CD1 0.0000 -0.0074 0.0038 1016 LEU 67 HD11 0.0010 -0.0075 0.0038 1017 LEU 67 HD12 0.0003 -0.0057 0.0047 1018 LEU 67 HD13 0.0010 -0.0087 0.0031 1019 LEU 67 CD2 -0.0040 -0.0085 0.0034 1020 LEU 67 HD21 -0.0030 -0.0099 0.0026 1021 LEU 67 HD22 -0.0039 -0.0069 0.0043 1022 LEU 67 HD23 -0.0061 -0.0091 0.0032 1023 LEU 67 C -0.0027 -0.0070 0.0042 1024 LEU 67 O -0.0043 -0.0083 0.0035 1025 HIS 68 N 0.0073 -0.0173 -0.0022 1026 HIS 68 HN 0.0064 -0.0182 -0.0039 1027 HIS 68 CA 0.0072 -0.0132 -0.0026 1028 HIS 68 HA 0.0086 -0.0119 -0.0000 1029 HIS 68 CB 0.0059 -0.0108 -0.0051 1030 HIS 68 HB1 0.0045 -0.0121 -0.0077 1031 HIS 68 HB2 0.0064 -0.0110 -0.0041 1032 HIS 68 CD2 0.0045 -0.0041 -0.0081 1033 HIS 68 HD2 0.0030 -0.0047 -0.0108 1034 HIS 68 CG 0.0059 -0.0065 -0.0053 1035 HIS 68 NE2 0.0053 -0.0005 -0.0067 1036 HIS 68 HE2 0.0047 0.0019 -0.0081 1037 HIS 68 ND1 0.0076 -0.0045 -0.0023 1038 HIS 68 HD1 0.0089 -0.0056 0.0002 1039 HIS 68 CE1 0.0072 -0.0009 -0.0033 1040 HIS 68 HE1 0.0081 0.0015 -0.0016 1041 HIS 68 C 0.0067 -0.0129 -0.0037 1042 HIS 68 O 0.0055 -0.0153 -0.0056 1043 GLY 69 N 0.0144 -0.0134 -0.0020 1044 GLY 69 HN 0.0130 -0.0118 -0.0012 1045 GLY 69 CA 0.0159 -0.0083 0.0038 1046 GLY 69 HA1 0.0168 -0.0039 0.0086 1047 GLY 69 HA2 0.0216 -0.0111 0.0041 1048 GLY 69 C 0.0084 -0.0050 0.0030 1049 GLY 69 O 0.0097 -0.0043 0.0043 1050 ASP 70 N 0.0006 -0.0107 0.0265 1051 ASP 70 HN -0.0096 0.0020 0.0292 1052 ASP 70 CA -0.0010 -0.0059 0.0108 1053 ASP 70 HA 0.0048 -0.0150 0.0205 1054 ASP 70 CB -0.0196 0.0182 0.0098 1055 ASP 70 HB1 -0.0210 0.0214 0.0010 1056 ASP 70 HB2 -0.0259 0.0282 -0.0020 1057 ASP 70 CG -0.0285 0.0246 0.0385 1058 ASP 70 OD1 -0.0243 0.0167 0.0539 1059 ASP 70 OD2 -0.0389 0.0369 0.0455 1060 ASP 70 C 0.0078 -0.0124 -0.0178 1061 ASP 70 O 0.0099 -0.0130 -0.0291 1062 HIS 71 N -0.0103 -0.0053 -0.0151 1063 HIS 71 HN -0.0101 -0.0035 -0.0170 1064 HIS 71 CA -0.0114 -0.0084 -0.0222 1065 HIS 71 HA -0.0125 -0.0129 -0.0257 1066 HIS 71 CB -0.0103 -0.0011 -0.0288 1067 HIS 71 HB1 -0.0112 -0.0036 -0.0346 1068 HIS 71 HB2 -0.0092 0.0039 -0.0256 1069 HIS 71 CD2 -0.0080 0.0114 -0.0311 1070 HIS 71 HD2 -0.0068 0.0168 -0.0278 1071 HIS 71 CG -0.0097 0.0032 -0.0321 1072 HIS 71 NE2 -0.0082 0.0119 -0.0353 1073 HIS 71 HE2 -0.0072 0.0171 -0.0356 1074 HIS 71 ND1 -0.0109 -0.0016 -0.0368 1075 HIS 71 HD1 -0.0122 -0.0078 -0.0384 1076 HIS 71 CE1 -0.0099 0.0039 -0.0386 1077 HIS 71 HE1 -0.0105 0.0023 -0.0423 1078 HIS 71 C -0.0123 -0.0137 -0.0200 1079 HIS 71 O -0.0119 -0.0112 -0.0221 1080 SER 72 N -0.0007 -0.0112 -0.0092 1081 SER 72 HN -0.0011 -0.0114 -0.0099 1082 SER 72 CA -0.0013 -0.0109 -0.0083 1083 SER 72 HA -0.0009 -0.0107 -0.0077 1084 SER 72 CB -0.0014 -0.0108 -0.0080 1085 SER 72 HB1 -0.0018 -0.0105 -0.0072 1086 SER 72 HB2 -0.0019 -0.0109 -0.0086 1087 SER 72 OG -0.0004 -0.0108 -0.0079 1088 SER 72 HG1 -0.0002 -0.0111 -0.0086 1089 SER 72 C -0.0025 -0.0108 -0.0084 1090 SER 72 O -0.0031 -0.0105 -0.0077 1091 LEU 73 N 0.0063 -0.0085 -0.0049 1092 LEU 73 HN 0.0060 -0.0078 -0.0048 1093 LEU 73 CA 0.0062 -0.0086 -0.0049 1094 LEU 73 HA 0.0067 -0.0095 -0.0049 1095 LEU 73 CB 0.0068 -0.0074 -0.0046 1096 LEU 73 HB1 0.0069 -0.0076 -0.0047 1097 LEU 73 HB2 0.0062 -0.0065 -0.0046 1098 LEU 73 CG 0.0082 -0.0070 -0.0044 1099 LEU 73 HG 0.0082 -0.0068 -0.0044 1100 LEU 73 CD1 0.0087 -0.0057 -0.0042 1101 LEU 73 HD11 0.0097 -0.0054 -0.0041 1102 LEU 73 HD12 0.0080 -0.0049 -0.0042 1103 LEU 73 HD13 0.0087 -0.0059 -0.0042 1104 LEU 73 CD2 0.0092 -0.0081 -0.0044 1105 LEU 73 HD21 0.0090 -0.0090 -0.0046 1106 LEU 73 HD22 0.0102 -0.0078 -0.0043 1107 LEU 73 HD23 0.0093 -0.0084 -0.0045 1108 LEU 73 C 0.0047 -0.0086 -0.0051 1109 LEU 73 O 0.0039 -0.0079 -0.0051 1110 PHE 74 N 0.0040 0.0010 -0.0004 1111 PHE 74 HN 0.0054 0.0009 -0.0015 1112 PHE 74 CA 0.0035 0.0009 -0.0004 1113 PHE 74 HA 0.0021 0.0010 0.0007 1114 PHE 74 CB 0.0030 -0.0000 -0.0028 1115 PHE 74 HB1 0.0028 -0.0001 -0.0028 1116 PHE 74 HB2 0.0044 -0.0001 -0.0040 1117 PHE 74 CG 0.0008 -0.0007 -0.0034 1118 PHE 74 CD1 0.0007 -0.0011 -0.0046 1119 PHE 74 HD1 0.0023 -0.0009 -0.0049 1120 PHE 74 CE1 -0.0013 -0.0018 -0.0053 1121 PHE 74 HE1 -0.0013 -0.0021 -0.0061 1122 PHE 74 CZ -0.0034 -0.0021 -0.0048 1123 PHE 74 HZ -0.0050 -0.0027 -0.0054 1124 PHE 74 CD2 -0.0013 -0.0010 -0.0030 1125 PHE 74 HD2 -0.0013 -0.0007 -0.0021 1126 PHE 74 CE2 -0.0034 -0.0017 -0.0037 1127 PHE 74 HE2 -0.0050 -0.0020 -0.0034 1128 PHE 74 C 0.0055 0.0016 0.0003 1129 PHE 74 O 0.0075 0.0020 0.0004 1130 HIS 75 N 0.0055 0.0027 -0.0031 1131 HIS 75 HN 0.0052 0.0017 -0.0024 1132 HIS 75 CA 0.0038 0.0044 -0.0025 1133 HIS 75 HA 0.0041 0.0052 -0.0032 1134 HIS 75 CB 0.0030 0.0062 -0.0028 1135 HIS 75 HB1 0.0027 0.0054 -0.0021 1136 HIS 75 HB2 0.0042 0.0070 -0.0041 1137 HIS 75 CD2 0.0001 0.0087 -0.0017 1138 HIS 75 HD2 0.0002 0.0078 -0.0013 1139 HIS 75 CG 0.0012 0.0081 -0.0023 1140 HIS 75 NE2 -0.0013 0.0106 -0.0015 1141 HIS 75 HE2 -0.0024 0.0114 -0.0009 1142 HIS 75 ND1 0.0006 0.0097 -0.0025 1143 HIS 75 HD1 0.0011 0.0098 -0.0030 1144 HIS 75 CE1 -0.0010 0.0112 -0.0020 1145 HIS 75 HE1 -0.0019 0.0126 -0.0020 1146 HIS 75 C 0.0022 0.0033 -0.0007 1147 HIS 75 O 0.0016 0.0021 0.0003 1148 LEU 76 N 0.0017 0.0055 -0.0006 1149 LEU 76 HN 0.0030 0.0061 -0.0009 1150 LEU 76 CA 0.0004 0.0041 -0.0005 1151 LEU 76 HA -0.0006 0.0030 -0.0004 1152 LEU 76 CB 0.0018 0.0029 -0.0012 1153 LEU 76 HB1 0.0008 0.0017 -0.0011 1154 LEU 76 HB2 0.0026 0.0041 -0.0012 1155 LEU 76 CG 0.0036 0.0017 -0.0020 1156 LEU 76 HG 0.0045 0.0029 -0.0021 1157 LEU 76 CD1 0.0050 0.0008 -0.0027 1158 LEU 76 HD11 0.0041 -0.0002 -0.0026 1159 LEU 76 HD12 0.0062 -0.0001 -0.0032 1160 LEU 76 HD13 0.0058 0.0022 -0.0026 1161 LEU 76 CD2 0.0027 -0.0001 -0.0021 1162 LEU 76 HD21 0.0017 0.0005 -0.0017 1163 LEU 76 HD22 0.0040 -0.0009 -0.0027 1164 LEU 76 HD23 0.0017 -0.0013 -0.0021 1165 LEU 76 C -0.0010 0.0055 0.0002 1166 LEU 76 O -0.0003 0.0068 0.0003 1167 GLU 77 N -0.0032 0.0048 0.0022 1168 GLU 77 HN -0.0021 0.0037 0.0030 1169 GLU 77 CA -0.0051 0.0058 0.0024 1170 GLU 77 HA -0.0061 0.0070 0.0012 1171 GLU 77 CB -0.0045 0.0057 0.0020 1172 GLU 77 HB1 -0.0061 0.0065 0.0023 1173 GLU 77 HB2 -0.0036 0.0045 0.0033 1174 GLU 77 CG -0.0032 0.0061 -0.0004 1175 GLU 77 HG1 -0.0014 0.0051 -0.0005 1176 GLU 77 HG2 -0.0038 0.0071 -0.0016 1177 GLU 77 CD -0.0033 0.0066 -0.0012 1178 GLU 77 OE1 -0.0024 0.0056 -0.0004 1179 GLU 77 OE2 -0.0041 0.0079 -0.0030 1180 GLU 77 C -0.0066 0.0055 0.0048 1181 GLU 77 O -0.0059 0.0042 0.0065 1182 HIS 78 N -0.0101 0.0081 0.0078 1183 HIS 78 HN -0.0108 0.0097 0.0058 1184 HIS 78 CA -0.0118 0.0082 0.0108 1185 HIS 78 HA -0.0106 0.0063 0.0126 1186 HIS 78 CB -0.0130 0.0096 0.0100 1187 HIS 78 HB1 -0.0147 0.0102 0.0121 1188 HIS 78 HB2 -0.0137 0.0113 0.0077 1189 HIS 78 CD2 -0.0092 0.0080 0.0064 1190 HIS 78 HD2 -0.0091 0.0091 0.0038 1191 HIS 78 CG -0.0108 0.0080 0.0093 1192 HIS 78 NE2 -0.0077 0.0064 0.0071 1193 HIS 78 HE2 -0.0063 0.0060 0.0054 1194 HIS 78 ND1 -0.0103 0.0064 0.0119 1195 HIS 78 HD1 -0.0111 0.0060 0.0143 1196 HIS 78 CE1 -0.0083 0.0054 0.0104 1197 HIS 78 HE1 -0.0075 0.0040 0.0118 1198 HIS 78 C -0.0142 0.0095 0.0126 1199 HIS 78 O -0.0157 0.0115 0.0110 1200 HIS 79 N -0.0062 0.0108 0.0164 1201 HIS 79 HN -0.0074 0.0177 0.0166 1202 HIS 79 CA 0.0008 0.0073 0.0110 1203 HIS 79 HA 0.0007 0.0002 0.0119 1204 HIS 79 CB 0.0071 0.0082 0.0057 1205 HIS 79 HB1 0.0123 0.0066 0.0015 1206 HIS 79 HB2 0.0068 0.0154 0.0051 1207 HIS 79 CD2 0.0065 0.0038 0.0067 1208 HIS 79 HD2 0.0055 0.0104 0.0067 1209 HIS 79 CG 0.0070 0.0018 0.0065 1210 HIS 79 NE2 0.0079 -0.0046 0.0065 1211 HIS 79 HE2 0.0080 -0.0056 0.0065 1212 HIS 79 ND1 0.0088 -0.0075 0.0061 1213 HIS 79 HD1 0.0097 -0.0108 0.0058 1214 HIS 79 CE1 0.0093 -0.0111 0.0061 1215 HIS 79 HE1 0.0105 -0.0185 0.0060 1216 HIS 79 C 0.0028 0.0131 0.0087 1217 HIS 79 O 0.0036 0.0214 0.0070 1218 GLY 80 N -0.0070 0.0022 0.0076 1219 GLY 80 HN -0.0067 -0.0034 0.0092 1220 GLY 80 CA -0.0059 0.0034 0.0051 1221 GLY 80 HA1 -0.0036 0.0061 -0.0005 1222 GLY 80 HA2 -0.0051 -0.0024 0.0057 1223 GLY 80 C -0.0094 0.0089 0.0095 1224 GLY 80 O -0.0126 0.0076 0.0162 1225 GLY 81 N -0.0077 -0.0279 -0.0067 1226 GLY 81 HN -0.0140 -0.0288 -0.0208 1227 GLY 81 CA -0.0036 -0.0248 0.0033 1228 GLY 81 HA1 -0.0067 -0.0308 -0.0060 1229 GLY 81 HA2 0.0040 -0.0322 0.0164 1230 GLY 81 C -0.0055 -0.0024 0.0086 1231 GLY 81 O -0.0014 0.0025 0.0194 1232 LYS 82 N -0.0020 0.0012 0.0017 1233 LYS 82 HN 0.0011 -0.0032 -0.0003 1234 LYS 82 CA -0.0049 0.0061 0.0031 1235 LYS 82 HA -0.0068 0.0119 0.0028 1236 LYS 82 CB -0.0013 0.0064 -0.0020 1237 LYS 82 HB1 -0.0036 0.0101 -0.0008 1238 LYS 82 HB2 0.0007 0.0005 -0.0017 1239 LYS 82 CG 0.0026 0.0097 -0.0093 1240 LYS 82 HG1 0.0047 0.0064 -0.0104 1241 LYS 82 HG2 0.0006 0.0158 -0.0097 1242 LYS 82 CD 0.0066 0.0091 -0.0145 1243 LYS 82 HD1 0.0047 0.0128 -0.0137 1244 LYS 82 HD2 0.0082 0.0030 -0.0135 1245 LYS 82 CE 0.0110 0.0112 -0.0218 1246 LYS 82 HE1 0.0138 0.0104 -0.0253 1247 LYS 82 HE2 0.0130 0.0073 -0.0225 1248 LYS 82 NZ 0.0093 0.0192 -0.0236 1249 LYS 82 HZ1 0.0072 0.0231 -0.0227 1250 LYS 82 HZ2 0.0068 0.0203 -0.0207 1251 LYS 82 HZ3 0.0123 0.0207 -0.0286 1252 LYS 82 C -0.0089 0.0034 0.0102 1253 LYS 82 O -0.0082 -0.0034 0.0129 1254 VAL 83 N -0.0061 0.0011 0.0071 1255 VAL 83 HN -0.0057 0.0007 0.0075 1256 VAL 83 CA -0.0054 0.0016 0.0063 1257 VAL 83 HA -0.0058 0.0021 0.0058 1258 VAL 83 CB -0.0049 0.0014 0.0063 1259 VAL 83 HB -0.0055 0.0014 0.0065 1260 VAL 83 CG1 -0.0041 0.0006 0.0070 1261 VAL 83 HG11 -0.0038 0.0005 0.0071 1262 VAL 83 HG12 -0.0046 0.0003 0.0077 1263 VAL 83 HG13 -0.0035 0.0006 0.0069 1264 VAL 83 CG2 -0.0043 0.0019 0.0055 1265 VAL 83 HG21 -0.0040 0.0018 0.0055 1266 VAL 83 HG22 -0.0036 0.0019 0.0053 1267 VAL 83 HG23 -0.0048 0.0024 0.0050 1268 VAL 83 C -0.0046 0.0015 0.0060 1269 VAL 83 O -0.0041 0.0010 0.0066 1270 SER 84 N -0.0045 0.0003 0.0040 1271 SER 84 HN -0.0053 0.0008 0.0033 1272 SER 84 CA -0.0032 0.0003 0.0033 1273 SER 84 HA -0.0024 -0.0002 0.0041 1274 SER 84 CB -0.0035 0.0007 0.0025 1275 SER 84 HB1 -0.0043 0.0012 0.0015 1276 SER 84 HB2 -0.0042 0.0005 0.0033 1277 SER 84 OG -0.0022 0.0006 0.0019 1278 SER 84 HG1 -0.0025 0.0008 0.0015 1279 SER 84 C -0.0023 0.0005 0.0022 1280 SER 84 O -0.0030 0.0009 0.0015 1281 ILE 85 N -0.0018 -0.0003 0.0001 1282 ILE 85 HN -0.0018 -0.0009 0.0006 1283 ILE 85 CA -0.0007 -0.0003 -0.0007 1284 ILE 85 HA -0.0008 0.0002 -0.0011 1285 ILE 85 CB 0.0001 -0.0014 -0.0003 1286 ILE 85 HB 0.0003 -0.0019 0.0001 1287 ILE 85 CG2 0.0012 -0.0014 -0.0011 1288 ILE 85 HG21 0.0018 -0.0021 -0.0008 1289 ILE 85 HG22 0.0016 -0.0011 -0.0017 1290 ILE 85 HG23 0.0010 -0.0008 -0.0015 1291 ILE 85 CG1 -0.0005 -0.0019 0.0006 1292 ILE 85 HG11 0.0002 -0.0026 0.0008 1293 ILE 85 HG12 -0.0012 -0.0020 0.0012 1294 ILE 85 CD -0.0009 -0.0012 0.0003 1295 ILE 85 HD1 -0.0014 -0.0015 0.0010 1296 ILE 85 HD2 -0.0002 -0.0012 -0.0002 1297 ILE 85 HD3 -0.0015 -0.0004 -0.0000 1298 ILE 85 C -0.0003 -0.0000 -0.0013 1299 ILE 85 O -0.0001 -0.0006 -0.0009 1300 LYS 86 N 0.0010 0.0036 -0.0036 1301 LYS 86 HN 0.0015 0.0044 -0.0040 1302 LYS 86 CA 0.0007 0.0034 -0.0033 1303 LYS 86 HA 0.0003 0.0024 -0.0031 1304 LYS 86 CB 0.0003 0.0044 -0.0021 1305 LYS 86 HB1 -0.0002 0.0043 -0.0014 1306 LYS 86 HB2 0.0000 0.0041 -0.0018 1307 LYS 86 CG 0.0009 0.0059 -0.0023 1308 LYS 86 HG1 0.0014 0.0061 -0.0029 1309 LYS 86 HG2 0.0012 0.0062 -0.0026 1310 LYS 86 CD 0.0004 0.0068 -0.0010 1311 LYS 86 HD1 -0.0000 0.0067 -0.0004 1312 LYS 86 HD2 0.0000 0.0064 -0.0006 1313 LYS 86 CE 0.0009 0.0083 -0.0011 1314 LYS 86 HE1 0.0013 0.0085 -0.0016 1315 LYS 86 HE2 0.0013 0.0087 -0.0016 1316 LYS 86 NZ 0.0004 0.0091 0.0001 1317 LYS 86 HZ1 -0.0002 0.0085 0.0008 1318 LYS 86 HZ2 0.0003 0.0095 0.0004 1319 LYS 86 HZ3 0.0006 0.0100 0.0002 1320 LYS 86 C 0.0014 0.0035 -0.0043 1321 LYS 86 O 0.0022 0.0041 -0.0052 1322 GLY 87 N -0.0047 0.0053 -0.0041 1323 GLY 87 HN -0.0061 0.0048 -0.0029 1324 GLY 87 CA -0.0048 0.0052 -0.0045 1325 GLY 87 HA1 -0.0063 0.0039 -0.0055 1326 GLY 87 HA2 -0.0031 0.0060 -0.0058 1327 GLY 87 C -0.0050 0.0058 -0.0019 1328 GLY 87 O -0.0047 0.0066 0.0003 1329 HIS 88 N -0.0127 0.0140 -0.0015 1330 HIS 88 HN -0.0158 0.0150 -0.0038 1331 HIS 88 CA -0.0136 0.0108 0.0043 1332 HIS 88 HA -0.0091 0.0102 0.0061 1333 HIS 88 CB -0.0182 0.0096 0.0060 1334 HIS 88 HB1 -0.0230 0.0100 0.0048 1335 HIS 88 HB2 -0.0171 0.0108 0.0039 1336 HIS 88 CD2 -0.0225 0.0042 0.0156 1337 HIS 88 HD2 -0.0274 0.0042 0.0150 1338 HIS 88 CG -0.0179 0.0064 0.0120 1339 HIS 88 NE2 -0.0196 0.0017 0.0206 1340 HIS 88 HE2 -0.0216 -0.0004 0.0242 1341 HIS 88 ND1 -0.0122 0.0054 0.0146 1342 HIS 88 HD1 -0.0081 0.0065 0.0130 1343 HIS 88 CE1 -0.0135 0.0025 0.0198 1344 HIS 88 HE1 -0.0100 0.0010 0.0231 1345 HIS 88 C -0.0150 0.0094 0.0068 1346 HIS 88 O -0.0176 0.0107 0.0041 1347 HIS 89 N -0.0270 0.0098 0.0147 1348 HIS 89 HN -0.0381 0.0079 0.0073 1349 HIS 89 CA -0.0139 0.0060 0.0065 1350 HIS 89 HA -0.0182 0.0016 -0.0069 1351 HIS 89 CB 0.0060 0.0047 0.0063 1352 HIS 89 HB1 0.0147 0.0015 -0.0013 1353 HIS 89 HB2 0.0118 0.0090 0.0196 1354 HIS 89 CD2 0.0128 0.0037 0.0048 1355 HIS 89 HD2 0.0179 0.0079 0.0177 1356 HIS 89 CG 0.0067 0.0018 -0.0018 1357 HIS 89 NE2 0.0117 -0.0009 -0.0086 1358 HIS 89 HE2 0.0160 -0.0011 -0.0085 1359 HIS 89 ND1 0.0017 -0.0039 -0.0190 1360 HIS 89 HD1 -0.0032 -0.0064 -0.0271 1361 HIS 89 CE1 0.0049 -0.0054 -0.0226 1362 HIS 89 HE1 0.0029 -0.0097 -0.0354 1363 HIS 89 C -0.0147 0.0087 0.0139 1364 HIS 89 O -0.0036 0.0065 0.0096 1365 HIS 90 N -0.0041 0.0061 0.0076 1366 HIS 90 HN -0.0055 0.0055 0.0108 1367 HIS 90 CA -0.0016 0.0042 0.0029 1368 HIS 90 HA -0.0017 0.0017 0.0042 1369 HIS 90 CB 0.0006 0.0000 0.0000 1370 HIS 90 HB1 0.0025 -0.0008 -0.0038 1371 HIS 90 HB2 0.0006 0.0018 -0.0007 1372 HIS 90 CD2 -0.0018 -0.0069 0.0079 1373 HIS 90 HD2 -0.0035 -0.0043 0.0103 1374 HIS 90 CG 0.0001 -0.0056 0.0032 1375 HIS 90 NE2 -0.0015 -0.0126 0.0093 1376 HIS 90 HE2 -0.0026 -0.0147 0.0126 1377 HIS 90 ND1 0.0018 -0.0106 0.0017 1378 HIS 90 HD1 0.0035 -0.0111 -0.0018 1379 HIS 90 CE1 0.0007 -0.0146 0.0055 1380 HIS 90 HE1 0.0016 -0.0190 0.0054 1381 HIS 90 C -0.0007 0.0088 -0.0008 1382 HIS 90 O 0.0016 0.0078 -0.0052 1383 HIS 91 N 0.0014 0.0035 0.0057 1384 HIS 91 HN -0.0004 0.0027 0.0053 1385 HIS 91 CA 0.0005 0.0038 0.0042 1386 HIS 91 HA 0.0017 0.0036 0.0060 1387 HIS 91 CB -0.0033 0.0019 0.0035 1388 HIS 91 HB1 -0.0039 0.0021 0.0025 1389 HIS 91 HB2 -0.0047 0.0021 0.0017 1390 HIS 91 CD2 -0.0069 -0.0023 0.0076 1391 HIS 91 HD2 -0.0086 -0.0025 0.0060 1392 HIS 91 CG -0.0045 -0.0005 0.0067 1393 HIS 91 NE2 -0.0066 -0.0040 0.0110 1394 HIS 91 HE2 -0.0079 -0.0056 0.0125 1395 HIS 91 ND1 -0.0028 -0.0010 0.0095 1396 HIS 91 HD1 -0.0010 0.0001 0.0096 1397 HIS 91 CE1 -0.0041 -0.0031 0.0120 1398 HIS 91 HE1 -0.0033 -0.0041 0.0146 1399 HIS 91 C 0.0015 0.0062 0.0009 1400 HIS 91 O 0.0016 0.0073 -0.0011 1401 TYR 92 N 0.0029 0.0009 -0.0020 1402 TYR 92 HN 0.0027 0.0008 -0.0018 1403 TYR 92 CA 0.0028 0.0006 -0.0018 1404 TYR 92 HA 0.0029 0.0009 -0.0020 1405 TYR 92 CB 0.0021 0.0008 -0.0013 1406 TYR 92 HB1 0.0019 0.0005 -0.0010 1407 TYR 92 HB2 0.0019 0.0006 -0.0010 1408 TYR 92 CG 0.0018 0.0016 -0.0013 1409 TYR 92 CD1 0.0017 0.0021 -0.0014 1410 TYR 92 HD1 0.0018 0.0019 -0.0014 1411 TYR 92 CE1 0.0014 0.0028 -0.0014 1412 TYR 92 HE1 0.0013 0.0032 -0.0015 1413 TYR 92 CZ 0.0013 0.0030 -0.0014 1414 TYR 92 OH 0.0010 0.0038 -0.0015 1415 TYR 92 HH 0.0010 0.0039 -0.0015 1416 TYR 92 CD2 0.0016 0.0018 -0.0013 1417 TYR 92 HD2 0.0017 0.0014 -0.0012 1418 TYR 92 CE2 0.0014 0.0025 -0.0013 1419 TYR 92 HE2 0.0012 0.0027 -0.0013 1420 TYR 92 C 0.0030 -0.0002 -0.0017 1421 TYR 92 O 0.0030 -0.0006 -0.0016 1422 ILE 93 N 0.0012 -0.0030 -0.0007 1423 ILE 93 HN 0.0008 -0.0026 -0.0008 1424 ILE 93 CA 0.0016 -0.0035 -0.0004 1425 ILE 93 HA 0.0021 -0.0038 -0.0006 1426 ILE 93 CB 0.0015 -0.0033 -0.0006 1427 ILE 93 HB 0.0010 -0.0030 -0.0003 1428 ILE 93 CG2 0.0016 -0.0030 -0.0015 1429 ILE 93 HG21 0.0015 -0.0029 -0.0017 1430 ILE 93 HG22 0.0021 -0.0034 -0.0019 1431 ILE 93 HG23 0.0012 -0.0026 -0.0018 1432 ILE 93 CG1 0.0020 -0.0038 -0.0003 1433 ILE 93 HG11 0.0025 -0.0041 -0.0006 1434 ILE 93 HG12 0.0020 -0.0040 0.0004 1435 ILE 93 CD 0.0018 -0.0036 -0.0003 1436 ILE 93 HD1 0.0012 -0.0033 0.0001 1437 ILE 93 HD2 0.0021 -0.0040 -0.0001 1438 ILE 93 HD3 0.0018 -0.0034 -0.0010 1439 ILE 93 C 0.0015 -0.0037 0.0006 1440 ILE 93 O 0.0009 -0.0034 0.0010 1441 SER 94 N 0.0034 -0.0079 -0.0010 1442 SER 94 HN 0.0040 -0.0072 -0.0006 1443 SER 94 CA 0.0029 -0.0080 -0.0017 1444 SER 94 HA 0.0024 -0.0088 -0.0022 1445 SER 94 CB 0.0028 -0.0068 -0.0026 1446 SER 94 HB1 0.0033 -0.0060 -0.0023 1447 SER 94 HB2 0.0027 -0.0066 -0.0030 1448 SER 94 OG 0.0022 -0.0069 -0.0036 1449 SER 94 HG1 0.0023 -0.0069 -0.0034 1450 SER 94 C 0.0032 -0.0082 -0.0011 1451 SER 94 O 0.0039 -0.0075 -0.0005 1452 ALA 95 N 0.0002 -0.0091 -0.0029 1453 ALA 95 HN 0.0000 -0.0094 -0.0031 1454 ALA 95 CA 0.0003 -0.0092 -0.0026 1455 ALA 95 HA 0.0006 -0.0090 -0.0024 1456 ALA 95 CB 0.0002 -0.0098 -0.0025 1457 ALA 95 HB1 -0.0000 -0.0100 -0.0028 1458 ALA 95 HB2 0.0003 -0.0098 -0.0023 1459 ALA 95 HB3 0.0003 -0.0099 -0.0022 1460 ALA 95 C 0.0002 -0.0090 -0.0030 1461 ALA 95 O -0.0001 -0.0091 -0.0034 1462 ASP 96 N -0.0020 -0.0103 -0.0073 1463 ASP 96 HN -0.0014 -0.0098 -0.0062 1464 ASP 96 CA -0.0023 -0.0098 -0.0083 1465 ASP 96 HA -0.0029 -0.0096 -0.0095 1466 ASP 96 CB -0.0017 -0.0080 -0.0079 1467 ASP 96 HB1 -0.0020 -0.0075 -0.0086 1468 ASP 96 HB2 -0.0012 -0.0081 -0.0066 1469 ASP 96 CG -0.0015 -0.0067 -0.0080 1470 ASP 96 OD1 -0.0009 -0.0053 -0.0075 1471 ASP 96 OD2 -0.0019 -0.0070 -0.0087 1472 ASP 96 C -0.0026 -0.0111 -0.0082 1473 ASP 96 O -0.0024 -0.0122 -0.0072 1474 HIS 97 N -0.0054 -0.0069 -0.0108 1475 HIS 97 HN -0.0067 -0.0064 -0.0104 1476 HIS 97 CA -0.0060 -0.0098 -0.0098 1477 HIS 97 HA -0.0065 -0.0090 -0.0098 1478 HIS 97 CB -0.0088 -0.0114 -0.0081 1479 HIS 97 HB1 -0.0092 -0.0134 -0.0073 1480 HIS 97 HB2 -0.0083 -0.0122 -0.0081 1481 HIS 97 CD2 -0.0136 -0.0083 -0.0068 1482 HIS 97 HD2 -0.0136 -0.0090 -0.0067 1483 HIS 97 CG -0.0116 -0.0091 -0.0075 1484 HIS 97 NE2 -0.0159 -0.0061 -0.0064 1485 HIS 97 HE2 -0.0175 -0.0047 -0.0061 1486 HIS 97 ND1 -0.0126 -0.0076 -0.0075 1487 HIS 97 HD1 -0.0116 -0.0078 -0.0079 1488 HIS 97 CE1 -0.0152 -0.0058 -0.0068 1489 HIS 97 HE1 -0.0166 -0.0042 -0.0067 1490 HIS 97 C -0.0033 -0.0124 -0.0102 1491 HIS 97 O -0.0030 -0.0143 -0.0098 1492 HIS 98 N 0.0017 -0.0178 -0.0137 1493 HIS 98 HN -0.0002 -0.0123 -0.0110 1494 HIS 98 CA -0.0001 -0.0110 -0.0063 1495 HIS 98 HA 0.0043 -0.0200 -0.0024 1496 HIS 98 CB -0.0060 -0.0011 -0.0181 1497 HIS 98 HB1 -0.0105 0.0080 -0.0223 1498 HIS 98 HB2 -0.0045 -0.0084 -0.0290 1499 HIS 98 CD2 -0.0140 0.0207 -0.0094 1500 HIS 98 HD2 -0.0189 0.0309 -0.0132 1501 HIS 98 CG -0.0080 0.0061 -0.0109 1502 HIS 98 NE2 -0.0128 0.0205 -0.0017 1503 HIS 98 HE2 -0.0162 0.0295 0.0010 1504 HIS 98 ND1 -0.0031 -0.0033 -0.0040 1505 HIS 98 HD1 0.0019 -0.0146 -0.0033 1506 HIS 98 CE1 -0.0062 0.0058 0.0012 1507 HIS 98 HE1 -0.0037 0.0020 0.0069 1508 HIS 98 C -0.0020 -0.0013 0.0090 1509 HIS 98 O -0.0040 0.0041 0.0107 1510 GLY 99 N 0.0013 -0.0070 0.0039 1511 GLY 99 HN 0.0015 -0.0095 0.0050 1512 GLY 99 CA 0.0039 -0.0042 0.0056 1513 GLY 99 HA1 0.0037 -0.0013 0.0043 1514 GLY 99 HA2 0.0057 -0.0049 0.0078 1515 GLY 99 C 0.0046 -0.0042 0.0063 1516 GLY 99 O 0.0033 -0.0068 0.0060 1517 HIS 100 N 0.0070 -0.0064 0.0081 1518 HIS 100 HN 0.0085 -0.0056 0.0081 1519 HIS 100 CA 0.0071 -0.0054 0.0072 1520 HIS 100 HA 0.0073 -0.0066 0.0084 1521 HIS 100 CB 0.0096 -0.0034 0.0067 1522 HIS 100 HB1 0.0097 -0.0027 0.0061 1523 HIS 100 HB2 0.0095 -0.0021 0.0055 1524 HIS 100 CD2 0.0130 -0.0053 0.0104 1525 HIS 100 HD2 0.0121 -0.0066 0.0111 1526 HIS 100 CG 0.0121 -0.0038 0.0085 1527 HIS 100 NE2 0.0155 -0.0049 0.0114 1528 HIS 100 HE2 0.0168 -0.0056 0.0128 1529 HIS 100 ND1 0.0140 -0.0025 0.0083 1530 HIS 100 HD1 0.0138 -0.0012 0.0070 1531 HIS 100 CE1 0.0160 -0.0032 0.0101 1532 HIS 100 HE1 0.0178 -0.0024 0.0104 1533 HIS 100 C 0.0049 -0.0046 0.0053 1534 HIS 100 O 0.0040 -0.0035 0.0037 1535 VAL 101 N 0.0052 -0.0062 0.0028 1536 VAL 101 HN 0.0054 -0.0064 0.0033 1537 VAL 101 CA 0.0049 -0.0063 0.0023 1538 VAL 101 HA 0.0045 -0.0064 0.0019 1539 VAL 101 CB 0.0046 -0.0070 0.0027 1540 VAL 101 HB 0.0050 -0.0070 0.0032 1541 VAL 101 CG1 0.0043 -0.0072 0.0023 1542 VAL 101 HG11 0.0045 -0.0068 0.0022 1543 VAL 101 HG12 0.0039 -0.0073 0.0018 1544 VAL 101 HG13 0.0042 -0.0077 0.0026 1545 VAL 101 CG2 0.0044 -0.0076 0.0029 1546 VAL 101 HG21 0.0040 -0.0077 0.0023 1547 VAL 101 HG22 0.0046 -0.0075 0.0032 1548 VAL 101 HG23 0.0042 -0.0081 0.0031 1549 VAL 101 C 0.0051 -0.0057 0.0021 1550 VAL 101 O 0.0055 -0.0053 0.0024 1551 SER 102 N 0.0047 -0.0061 0.0016 1552 SER 102 HN 0.0044 -0.0068 0.0009 1553 SER 102 CA 0.0047 -0.0051 0.0018 1554 SER 102 HA 0.0051 -0.0047 0.0027 1555 SER 102 CB 0.0042 -0.0040 0.0009 1556 SER 102 HB1 0.0042 -0.0036 0.0009 1557 SER 102 HB2 0.0043 -0.0031 0.0012 1558 SER 102 OG 0.0037 -0.0043 -0.0004 1559 SER 102 HG1 0.0035 -0.0047 -0.0007 1560 SER 102 C 0.0047 -0.0057 0.0017 1561 SER 102 O 0.0050 -0.0068 0.0020 1562 THR 103 N 0.0033 -0.0024 0.0029 1563 THR 103 HN 0.0033 -0.0023 0.0028 1564 THR 103 CA 0.0036 -0.0031 0.0031 1565 THR 103 HA 0.0040 -0.0032 0.0030 1566 THR 103 CB 0.0031 -0.0035 0.0036 1567 THR 103 HB 0.0028 -0.0033 0.0036 1568 THR 103 OG1 0.0034 -0.0042 0.0038 1569 THR 103 HG1 0.0030 -0.0044 0.0041 1570 THR 103 CG2 0.0026 -0.0035 0.0038 1571 THR 103 HG21 0.0022 -0.0038 0.0042 1572 THR 103 HG22 0.0024 -0.0030 0.0037 1573 THR 103 HG23 0.0029 -0.0038 0.0038 1574 THR 103 C 0.0040 -0.0034 0.0030 1575 THR 103 O 0.0039 -0.0031 0.0030 1576 LYS 104 N 0.0057 -0.0022 0.0001 1577 LYS 104 HN 0.0062 -0.0042 0.0005 1578 LYS 104 CA 0.0050 -0.0010 -0.0017 1579 LYS 104 HA 0.0048 0.0010 -0.0010 1580 LYS 104 CB 0.0042 -0.0008 -0.0046 1581 LYS 104 HB1 0.0040 0.0004 -0.0044 1582 LYS 104 HB2 0.0036 0.0004 -0.0058 1583 LYS 104 CG 0.0043 -0.0034 -0.0062 1584 LYS 104 HG1 0.0043 -0.0045 -0.0068 1585 LYS 104 HG2 0.0049 -0.0048 -0.0049 1586 LYS 104 CD 0.0035 -0.0030 -0.0088 1587 LYS 104 HD1 0.0035 -0.0023 -0.0081 1588 LYS 104 HD2 0.0029 -0.0014 -0.0099 1589 LYS 104 CE 0.0035 -0.0056 -0.0106 1590 LYS 104 HE1 0.0035 -0.0064 -0.0111 1591 LYS 104 HE2 0.0041 -0.0072 -0.0095 1592 LYS 104 NZ 0.0027 -0.0052 -0.0131 1593 LYS 104 HZ1 0.0026 -0.0067 -0.0145 1594 LYS 104 HZ2 0.0022 -0.0033 -0.0138 1595 LYS 104 HZ3 0.0028 -0.0056 -0.0130 1596 LYS 104 C 0.0053 -0.0025 -0.0018 1597 LYS 104 O 0.0059 -0.0047 -0.0010 1598 GLU 105 N 0.0086 0.0072 0.0002 1599 GLU 105 HN 0.0115 0.0093 -0.0009 1600 GLU 105 CA 0.0072 0.0027 -0.0033 1601 GLU 105 HA 0.0038 0.0005 -0.0017 1602 GLU 105 CB 0.0096 0.0018 -0.0071 1603 GLU 105 HB1 0.0131 0.0039 -0.0089 1604 GLU 105 HB2 0.0089 0.0027 -0.0054 1605 GLU 105 CG 0.0081 -0.0031 -0.0109 1606 GLU 105 HG1 0.0045 -0.0053 -0.0092 1607 GLU 105 HG2 0.0089 -0.0041 -0.0130 1608 GLU 105 CD 0.0101 -0.0039 -0.0143 1609 GLU 105 OE1 0.0081 -0.0053 -0.0134 1610 GLU 105 OE2 0.0138 -0.0032 -0.0178 1611 GLU 105 C 0.0080 0.0016 -0.0055 1612 GLU 105 O 0.0114 0.0042 -0.0066 1613 HIS 106 N 0.0031 0.0032 0.0001 1614 HIS 106 HN 0.0046 0.0004 0.0075 1615 HIS 106 CA 0.0127 -0.0005 -0.0074 1616 HIS 106 HA 0.0189 -0.0057 -0.0013 1617 HIS 106 CB 0.0119 0.0009 -0.0115 1618 HIS 106 HB1 0.0200 -0.0025 -0.0163 1619 HIS 106 HB2 0.0057 0.0062 -0.0179 1620 HIS 106 CD2 0.0003 0.0041 0.0026 1621 HIS 106 HD2 -0.0069 0.0095 -0.0021 1622 HIS 106 CG 0.0092 -0.0002 -0.0006 1623 HIS 106 NE2 0.0017 0.0005 0.0139 1624 HIS 106 HE2 -0.0043 0.0025 0.0197 1625 HIS 106 ND1 0.0164 -0.0066 0.0082 1626 HIS 106 HD1 0.0237 -0.0108 0.0082 1627 HIS 106 CE1 0.0115 -0.0059 0.0168 1628 HIS 106 HE1 0.0147 -0.0099 0.0254 1629 HIS 106 C 0.0175 -0.0006 -0.0183 1630 HIS 106 O 0.0117 0.0045 -0.0250 1631 HIS 107 N 0.0043 0.0034 -0.0068 1632 HIS 107 HN 0.0035 0.0036 -0.0080 1633 HIS 107 CA 0.0032 0.0026 -0.0051 1634 HIS 107 HA 0.0039 0.0025 -0.0041 1635 HIS 107 CB 0.0010 0.0023 -0.0055 1636 HIS 107 HB1 0.0004 0.0026 -0.0066 1637 HIS 107 HB2 0.0010 0.0025 -0.0060 1638 HIS 107 CD2 -0.0015 0.0012 -0.0034 1639 HIS 107 HD2 -0.0019 0.0014 -0.0042 1640 HIS 107 CG -0.0002 0.0016 -0.0038 1641 HIS 107 NE2 -0.0022 0.0006 -0.0017 1642 HIS 107 HE2 -0.0031 0.0002 -0.0009 1643 HIS 107 ND1 -0.0001 0.0012 -0.0024 1644 HIS 107 HD1 0.0006 0.0013 -0.0023 1645 HIS 107 CE1 -0.0014 0.0005 -0.0011 1646 HIS 107 HE1 -0.0016 0.0001 0.0003 1647 HIS 107 C 0.0032 0.0023 -0.0040 1648 HIS 107 O 0.0031 0.0025 -0.0048 1649 ASP 108 N 0.0003 -0.0041 -0.0076 1650 ASP 108 HN 0.0010 -0.0044 -0.0076 1651 ASP 108 CA -0.0004 -0.0052 -0.0067 1652 ASP 108 HA -0.0016 -0.0049 -0.0067 1653 ASP 108 CB 0.0007 -0.0056 -0.0067 1654 ASP 108 HB1 0.0019 -0.0061 -0.0066 1655 ASP 108 HB2 0.0010 -0.0046 -0.0074 1656 ASP 108 CG 0.0001 -0.0065 -0.0059 1657 ASP 108 OD1 -0.0012 -0.0070 -0.0053 1658 ASP 108 OD2 0.0009 -0.0067 -0.0060 1659 ASP 108 C -0.0005 -0.0064 -0.0059 1660 ASP 108 O 0.0002 -0.0065 -0.0059 1661 HIS 109 N -0.0028 -0.0054 -0.0048 1662 HIS 109 HN -0.0027 -0.0057 -0.0043 1663 HIS 109 CA -0.0026 -0.0041 -0.0062 1664 HIS 109 HA -0.0022 -0.0038 -0.0064 1665 HIS 109 CB -0.0013 -0.0033 -0.0065 1666 HIS 109 HB1 -0.0014 -0.0025 -0.0076 1667 HIS 109 HB2 -0.0014 -0.0038 -0.0060 1668 HIS 109 CD2 0.0018 -0.0035 -0.0049 1669 HIS 109 HD2 0.0019 -0.0040 -0.0043 1670 HIS 109 CG 0.0005 -0.0031 -0.0059 1671 HIS 109 NE2 0.0031 -0.0031 -0.0048 1672 HIS 109 HE2 0.0043 -0.0032 -0.0041 1673 HIS 109 ND1 0.0010 -0.0025 -0.0064 1674 HIS 109 HD1 0.0003 -0.0022 -0.0071 1675 HIS 109 CE1 0.0026 -0.0025 -0.0057 1676 HIS 109 HE1 0.0033 -0.0021 -0.0058 1677 HIS 109 C -0.0043 -0.0039 -0.0073 1678 HIS 109 O -0.0045 -0.0029 -0.0085 1679 ASP 110 N -0.0027 -0.0097 -0.0047 1680 ASP 110 HN -0.0029 -0.0094 -0.0049 1681 ASP 110 CA -0.0018 -0.0099 -0.0045 1682 ASP 110 HA -0.0018 -0.0105 -0.0042 1683 ASP 110 CB -0.0015 -0.0095 -0.0048 1684 ASP 110 HB1 -0.0008 -0.0097 -0.0047 1685 ASP 110 HB2 -0.0016 -0.0090 -0.0051 1686 ASP 110 CG -0.0018 -0.0098 -0.0046 1687 ASP 110 OD1 -0.0023 -0.0103 -0.0043 1688 ASP 110 OD2 -0.0015 -0.0094 -0.0048 1689 ASP 110 C -0.0012 -0.0097 -0.0047 1690 ASP 110 O -0.0006 -0.0100 -0.0045 1691 THR 111 N 0.0003 -0.0054 -0.0007 1692 THR 111 HN -0.0004 -0.0051 -0.0009 1693 THR 111 CA 0.0007 -0.0050 -0.0013 1694 THR 111 HA 0.0016 -0.0053 -0.0010 1695 THR 111 CB 0.0009 -0.0042 -0.0025 1696 THR 111 HB 0.0013 -0.0040 -0.0029 1697 THR 111 OG1 -0.0003 -0.0037 -0.0031 1698 THR 111 HG1 -0.0008 -0.0037 -0.0030 1699 THR 111 CG2 0.0018 -0.0042 -0.0028 1700 THR 111 HG21 0.0014 -0.0043 -0.0025 1701 THR 111 HG22 0.0019 -0.0036 -0.0037 1702 THR 111 HG23 0.0027 -0.0045 -0.0025 1703 THR 111 C -0.0004 -0.0050 -0.0010 1704 THR 111 O -0.0004 -0.0047 -0.0015 1705 THR 112 N -0.0029 -0.0022 -0.0016 1706 THR 112 HN -0.0023 -0.0028 -0.0006 1707 THR 112 CA -0.0038 -0.0006 -0.0013 1708 THR 112 HA -0.0044 -0.0002 -0.0025 1709 THR 112 CB -0.0039 0.0001 -0.0001 1710 THR 112 HB -0.0034 -0.0003 0.0012 1711 THR 112 OG1 -0.0038 -0.0004 -0.0008 1712 THR 112 HG1 -0.0031 -0.0015 -0.0009 1713 THR 112 CG2 -0.0050 0.0018 0.0001 1714 THR 112 HG21 -0.0056 0.0022 -0.0012 1715 THR 112 HG22 -0.0051 0.0022 0.0008 1716 THR 112 HG23 -0.0051 0.0023 0.0008 1717 THR 112 C -0.0039 -0.0001 -0.0004 1718 THR 112 O -0.0032 -0.0006 0.0009 1719 PHE 113 N -0.0021 -0.0020 0.0036 1720 PHE 113 HN -0.0024 -0.0014 0.0029 1721 PHE 113 CA -0.0023 -0.0016 0.0033 1722 PHE 113 HA -0.0020 -0.0022 0.0043 1723 PHE 113 CB -0.0026 -0.0023 0.0015 1724 PHE 113 HB1 -0.0026 -0.0022 0.0013 1725 PHE 113 HB2 -0.0029 -0.0016 0.0005 1726 PHE 113 CG -0.0024 -0.0042 0.0012 1727 PHE 113 CD1 -0.0027 -0.0047 -0.0002 1728 PHE 113 HD1 -0.0030 -0.0038 -0.0011 1729 PHE 113 CE1 -0.0025 -0.0065 -0.0004 1730 PHE 113 HE1 -0.0027 -0.0069 -0.0015 1731 PHE 113 CZ -0.0021 -0.0077 0.0007 1732 PHE 113 HZ -0.0019 -0.0090 0.0006 1733 PHE 113 CD2 -0.0020 -0.0054 0.0024 1734 PHE 113 HD2 -0.0018 -0.0050 0.0035 1735 PHE 113 CE2 -0.0018 -0.0072 0.0022 1736 PHE 113 HE2 -0.0015 -0.0081 0.0031 1737 PHE 113 C -0.0025 0.0003 0.0034 1738 PHE 113 O -0.0026 0.0013 0.0034 1739 GLU 114 N 0.0015 0.0042 0.0042 1740 GLU 114 HN 0.0012 0.0044 0.0040 1741 GLU 114 CA 0.0018 0.0056 0.0040 1742 GLU 114 HA 0.0018 0.0053 0.0041 1743 GLU 114 CB 0.0034 0.0065 0.0046 1744 GLU 114 HB1 0.0036 0.0077 0.0044 1745 GLU 114 HB2 0.0034 0.0070 0.0045 1746 GLU 114 CG 0.0047 0.0055 0.0057 1747 GLU 114 HG1 0.0046 0.0045 0.0059 1748 GLU 114 HG2 0.0046 0.0049 0.0058 1749 GLU 114 CD 0.0062 0.0065 0.0062 1750 GLU 114 OE1 0.0073 0.0058 0.0070 1751 GLU 114 OE2 0.0063 0.0079 0.0059 1752 GLU 114 C 0.0007 0.0068 0.0030 1753 GLU 114 O -0.0001 0.0067 0.0026 1754 GLU 115 N 0.0076 -0.0056 0.0061 1755 GLU 115 HN 0.0096 -0.0066 0.0069 1756 GLU 115 CA 0.0062 -0.0035 0.0042 1757 GLU 115 HA 0.0035 -0.0039 0.0047 1758 GLU 115 CB 0.0081 -0.0035 0.0042 1759 GLU 115 HB1 0.0074 -0.0017 0.0026 1760 GLU 115 HB2 0.0110 -0.0034 0.0040 1761 GLU 115 CG 0.0073 -0.0059 0.0063 1762 GLU 115 HG1 0.0078 -0.0078 0.0080 1763 GLU 115 HG2 0.0044 -0.0058 0.0063 1764 GLU 115 CD 0.0094 -0.0059 0.0063 1765 GLU 115 OE1 0.0093 -0.0038 0.0044 1766 GLU 115 OE2 0.0109 -0.0079 0.0081 1767 GLU 115 C 0.0062 -0.0007 0.0017 1768 GLU 115 O 0.0083 -0.0000 0.0011 1769 ILE 116 N 0.0065 -0.0015 0.0045 1770 ILE 116 HN 0.0047 -0.0021 0.0055 1771 ILE 116 CA 0.0065 0.0014 0.0037 1772 ILE 116 HA 0.0084 0.0020 0.0027 1773 ILE 116 CB 0.0045 0.0032 0.0042 1774 ILE 116 HB 0.0026 0.0024 0.0053 1775 ILE 116 CG2 0.0052 0.0028 0.0040 1776 ILE 116 HG21 0.0055 0.0006 0.0044 1777 ILE 116 HG22 0.0037 0.0038 0.0044 1778 ILE 116 HG23 0.0070 0.0037 0.0028 1779 ILE 116 CG1 0.0042 0.0063 0.0035 1780 ILE 116 HG11 0.0061 0.0071 0.0024 1781 ILE 116 HG12 0.0037 0.0065 0.0037 1782 ILE 116 CD 0.0021 0.0080 0.0040 1783 ILE 116 HD1 0.0002 0.0072 0.0052 1784 ILE 116 HD2 0.0019 0.0102 0.0035 1785 ILE 116 HD3 0.0025 0.0080 0.0039 1786 ILE 116 C 0.0061 0.0019 0.0038 1787 ILE 116 O 0.0044 0.0009 0.0049 1788 ILE 117 N 0.0138 -0.0028 0.0080 1789 ILE 117 HN 0.0144 -0.0031 0.0089 1790 ILE 117 CA 0.0117 -0.0022 0.0090 1791 ILE 117 HA 0.0107 -0.0017 0.0076 1792 ILE 117 CB 0.0101 -0.0019 0.0104 1793 ILE 117 HB 0.0112 -0.0024 0.0117 1794 ILE 117 CG2 0.0081 -0.0014 0.0119 1795 ILE 117 HG21 0.0069 -0.0011 0.0127 1796 ILE 117 HG22 0.0088 -0.0019 0.0134 1797 ILE 117 HG23 0.0071 -0.0009 0.0107 1798 ILE 117 CG1 0.0090 -0.0013 0.0085 1799 ILE 117 HG11 0.0088 -0.0009 0.0067 1800 ILE 117 HG12 0.0073 -0.0008 0.0092 1801 ILE 117 CD 0.0105 -0.0017 0.0080 1802 ILE 117 HD1 0.0122 -0.0021 0.0072 1803 ILE 117 HD2 0.0106 -0.0020 0.0098 1804 ILE 117 HD3 0.0095 -0.0012 0.0068 1805 ILE 117 C 0.0124 -0.0027 0.0107 1806 ILE 117 O 0.0139 -0.0034 0.0121 1807 ILE 118 N 0.0034 -0.0095 0.0039 1808 ILE 118 HN 0.0027 -0.0109 0.0037 1809 ILE 118 CA 0.0039 -0.0246 0.0130 1810 ILE 118 HA 0.0074 -0.0082 0.0091 1811 ILE 118 CB 0.0097 -0.0092 0.0131 1812 ILE 118 HB 0.0088 -0.0123 0.0134 1813 ILE 118 CG2 0.0131 -0.0103 0.0186 1814 ILE 118 HG21 0.0155 -0.0090 0.0215 1815 ILE 118 HG22 0.0122 -0.0150 0.0200 1816 ILE 118 HG23 0.0140 -0.0076 0.0185 1817 ILE 118 CG1 0.0111 -0.0029 0.0116 1818 ILE 118 HG11 0.0135 -0.0021 0.0148 1819 ILE 118 HG12 0.0088 -0.0025 0.0080 1820 ILE 118 CD 0.0123 0.0021 0.0106 1821 ILE 118 HD1 0.0131 0.0064 0.0094 1822 ILE 118 HD2 0.0147 0.0021 0.0142 1823 ILE 118 HD3 0.0099 0.0015 0.0074 1824 ILE 118 C 0.0048 -0.0172 0.0103 1825 ILE 118 OT1 0.0030 -0.0211 0.0098 1826 ILE 118 OT2 0.0017 -0.0170 0.0055