1 ASN 3 N 0.0194 0.0213 -0.0172 2 ASN 3 HN 0.0172 0.0219 -0.0151 3 ASN 3 CA 0.0204 0.0170 -0.0184 4 ASN 3 HA 0.0222 0.0164 -0.0201 5 ASN 3 CB 0.0178 0.0137 -0.0159 6 ASN 3 HB1 0.0186 0.0104 -0.0167 7 ASN 3 HB2 0.0160 0.0144 -0.0140 8 ASN 3 CG 0.0167 0.0137 -0.0147 9 ASN 3 OD1 0.0179 0.0117 -0.0160 10 ASN 3 ND2 0.0142 0.0160 -0.0122 11 ASN 3 HD21 0.0135 0.0161 -0.0114 12 ASN 3 HD22 0.0135 0.0181 -0.0115 13 ASN 3 C 0.0219 0.0165 -0.0198 14 ASN 3 O 0.0220 0.0192 -0.0198 15 ARG 4 N 0.0225 0.0089 -0.0090 16 ARG 4 HN 0.0224 0.0132 -0.0088 17 ARG 4 CA 0.0191 0.0107 -0.0055 18 ARG 4 HA 0.0189 0.0050 -0.0053 19 ARG 4 CB 0.0126 0.0136 0.0012 20 ARG 4 HB1 0.0100 0.0139 0.0040 21 ARG 4 HB2 0.0128 0.0202 0.0011 22 ARG 4 CG 0.0092 0.0077 0.0047 23 ARG 4 HG1 0.0046 0.0105 0.0095 24 ARG 4 HG2 0.0114 0.0080 0.0024 25 ARG 4 CD 0.0087 -0.0018 0.0052 26 ARG 4 HD1 0.0132 -0.0047 0.0005 27 ARG 4 HD2 0.0063 -0.0023 0.0076 28 ARG 4 NE 0.0049 -0.0062 0.0090 29 ARG 4 HE 0.0023 -0.0025 0.0117 30 ARG 4 CZ 0.0051 -0.0145 0.0087 31 ARG 4 NH1 0.0087 -0.0200 0.0050 32 ARG 4 HH11 0.0119 -0.0175 0.0017 33 ARG 4 HH12 0.0092 -0.0259 0.0044 34 ARG 4 NH2 0.0017 -0.0175 0.0123 35 ARG 4 HH21 0.0019 -0.0237 0.0120 36 ARG 4 HH22 -0.0008 -0.0134 0.0149 37 ARG 4 C 0.0219 0.0180 -0.0083 38 ARG 4 O 0.0205 0.0189 -0.0068 39 ALA 5 N 0.0123 0.0090 -0.0048 40 ALA 5 HN 0.0122 0.0079 -0.0052 41 ALA 5 CA 0.0121 0.0103 -0.0055 42 ALA 5 HA 0.0123 0.0114 -0.0049 43 ALA 5 CB 0.0121 0.0101 -0.0055 44 ALA 5 HB1 0.0119 0.0111 -0.0061 45 ALA 5 HB2 0.0125 0.0101 -0.0043 46 ALA 5 HB3 0.0119 0.0090 -0.0061 47 ALA 5 C 0.0116 0.0105 -0.0071 48 ALA 5 O 0.0113 0.0093 -0.0078 49 PHE 6 N 0.0072 0.0025 -0.0090 50 PHE 6 HN 0.0074 0.0022 -0.0091 51 PHE 6 CA 0.0072 0.0025 -0.0087 52 PHE 6 HA 0.0070 0.0028 -0.0085 53 PHE 6 CB 0.0072 0.0024 -0.0091 54 PHE 6 HB1 0.0073 0.0023 -0.0089 55 PHE 6 HB2 0.0074 0.0022 -0.0094 56 PHE 6 CG 0.0070 0.0029 -0.0094 57 PHE 6 CD1 0.0069 0.0031 -0.0098 58 PHE 6 HD1 0.0071 0.0028 -0.0100 59 PHE 6 CE1 0.0067 0.0035 -0.0100 60 PHE 6 HE1 0.0066 0.0037 -0.0104 61 PHE 6 CZ 0.0065 0.0038 -0.0098 62 PHE 6 HZ 0.0063 0.0042 -0.0100 63 PHE 6 CD2 0.0068 0.0032 -0.0091 64 PHE 6 HD2 0.0069 0.0031 -0.0088 65 PHE 6 CE2 0.0066 0.0037 -0.0094 66 PHE 6 HE2 0.0064 0.0039 -0.0092 67 PHE 6 C 0.0074 0.0021 -0.0082 68 PHE 6 O 0.0076 0.0017 -0.0083 69 LYS 7 N 0.0025 0.0035 -0.0045 70 LYS 7 HN 0.0003 0.0040 -0.0054 71 LYS 7 CA 0.0045 0.0029 -0.0028 72 LYS 7 HA 0.0068 0.0023 -0.0021 73 LYS 7 CB 0.0031 0.0034 0.0006 74 LYS 7 HB1 0.0029 0.0035 0.0024 75 LYS 7 HB2 0.0048 0.0030 0.0017 76 LYS 7 CG -0.0003 0.0043 0.0002 77 LYS 7 HG1 -0.0003 0.0043 -0.0021 78 LYS 7 HG2 -0.0022 0.0048 -0.0002 79 LYS 7 CD -0.0012 0.0047 0.0033 80 LYS 7 HD1 -0.0016 0.0048 0.0055 81 LYS 7 HD2 0.0010 0.0041 0.0039 82 LYS 7 CE -0.0040 0.0054 0.0027 83 LYS 7 HE1 -0.0041 0.0055 0.0048 84 LYS 7 HE2 -0.0036 0.0053 0.0003 85 LYS 7 NZ -0.0072 0.0063 0.0025 86 LYS 7 HZ1 -0.0080 0.0066 0.0049 87 LYS 7 HZ2 -0.0071 0.0062 0.0011 88 LYS 7 HZ3 -0.0088 0.0067 0.0013 89 LYS 7 C 0.0055 0.0026 -0.0050 90 LYS 7 O 0.0038 0.0030 -0.0074 91 SER 8 N 0.0032 0.0050 -0.0060 92 SER 8 HN 0.0028 0.0067 -0.0065 93 SER 8 CA 0.0044 0.0033 -0.0057 94 SER 8 HA 0.0053 0.0017 -0.0053 95 SER 8 CB 0.0023 0.0024 -0.0050 96 SER 8 HB1 0.0009 0.0014 -0.0044 97 SER 8 HB2 0.0033 0.0010 -0.0047 98 SER 8 OG 0.0011 0.0044 -0.0054 99 SER 8 HG1 0.0002 0.0054 -0.0056 100 SER 8 C 0.0064 0.0046 -0.0065 101 SER 8 O 0.0065 0.0069 -0.0072 102 HIS 9 N 0.0021 0.0080 -0.0057 103 HIS 9 HN 0.0021 0.0065 -0.0047 104 HIS 9 CA 0.0037 0.0084 -0.0053 105 HIS 9 HA 0.0049 0.0071 -0.0040 106 HIS 9 CB 0.0021 0.0080 -0.0056 107 HIS 9 HB1 0.0033 0.0082 -0.0053 108 HIS 9 HB2 0.0007 0.0091 -0.0069 109 HIS 9 CD2 -0.0017 0.0045 -0.0050 110 HIS 9 HD2 -0.0034 0.0053 -0.0061 111 HIS 9 CG 0.0007 0.0055 -0.0047 112 HIS 9 NE2 -0.0018 0.0022 -0.0036 113 HIS 9 HE2 -0.0033 0.0009 -0.0034 114 HIS 9 ND1 0.0022 0.0039 -0.0031 115 HIS 9 HD1 0.0040 0.0041 -0.0025 116 HIS 9 CE1 0.0006 0.0019 -0.0024 117 HIS 9 HE1 0.0011 0.0002 -0.0012 118 HIS 9 C 0.0056 0.0107 -0.0059 119 HIS 9 O 0.0074 0.0111 -0.0055 120 HIS 10 N 0.0037 0.0289 -0.0106 121 HIS 10 HN 0.0167 0.0256 -0.0103 122 HIS 10 CA -0.0076 0.0222 0.0043 123 HIS 10 HA -0.0216 0.0266 0.0027 124 HIS 10 CB -0.0016 0.0138 0.0151 125 HIS 10 HB1 -0.0110 0.0090 0.0261 126 HIS 10 HB2 0.0121 0.0086 0.0180 127 HIS 10 CD2 0.0128 0.0169 0.0047 128 HIS 10 HD2 0.0271 0.0132 0.0051 129 HIS 10 CG -0.0012 0.0182 0.0081 130 HIS 10 NE2 0.0054 0.0211 0.0011 131 HIS 10 HE2 0.0119 0.0211 -0.0015 132 HIS 10 ND1 -0.0172 0.0229 0.0068 133 HIS 10 HD1 -0.0296 0.0247 0.0088 134 HIS 10 CE1 -0.0127 0.0246 0.0025 135 HIS 10 HE1 -0.0223 0.0281 0.0006 136 HIS 10 C -0.0060 0.0161 0.0132 137 HIS 10 O -0.0126 0.0089 0.0270 138 GLY 11 N 0.0077 0.0124 -0.0048 139 GLY 11 HN 0.0078 0.0123 -0.0054 140 GLY 11 CA 0.0074 0.0125 -0.0047 141 GLY 11 HA1 0.0073 0.0126 -0.0041 142 GLY 11 HA2 0.0070 0.0128 -0.0050 143 GLY 11 C 0.0079 0.0123 -0.0049 144 GLY 11 O 0.0077 0.0124 -0.0048 145 HIS 12 N 0.0040 0.0056 -0.0096 146 HIS 12 HN 0.0042 0.0053 -0.0092 147 HIS 12 CA 0.0027 0.0056 -0.0097 148 HIS 12 HA 0.0024 0.0061 -0.0106 149 HIS 12 CB 0.0017 0.0052 -0.0093 150 HIS 12 HB1 0.0007 0.0050 -0.0092 151 HIS 12 HB2 0.0020 0.0046 -0.0084 152 HIS 12 CD2 0.0002 0.0056 -0.0101 153 HIS 12 HD2 -0.0007 0.0054 -0.0099 154 HIS 12 CG 0.0014 0.0055 -0.0099 155 HIS 12 NE2 0.0005 0.0061 -0.0108 156 HIS 12 HE2 -0.0001 0.0062 -0.0111 157 HIS 12 ND1 0.0024 0.0059 -0.0104 158 HIS 12 HD1 0.0034 0.0060 -0.0103 159 HIS 12 CE1 0.0019 0.0062 -0.0109 160 HIS 12 HE1 0.0024 0.0066 -0.0114 161 HIS 12 C 0.0025 0.0052 -0.0092 162 HIS 12 O 0.0032 0.0047 -0.0083 163 PHE 13 N 0.0014 0.0028 -0.0045 164 PHE 13 HN 0.0016 0.0023 -0.0044 165 PHE 13 CA 0.0016 0.0032 -0.0051 166 PHE 13 HA 0.0013 0.0037 -0.0050 167 PHE 13 CB 0.0018 0.0030 -0.0053 168 PHE 13 HB1 0.0019 0.0034 -0.0057 169 PHE 13 HB2 0.0021 0.0025 -0.0054 170 PHE 13 CG 0.0015 0.0030 -0.0047 171 PHE 13 CD1 0.0011 0.0036 -0.0045 172 PHE 13 HD1 0.0010 0.0040 -0.0047 173 PHE 13 CE1 0.0008 0.0035 -0.0040 174 PHE 13 HE1 0.0005 0.0040 -0.0038 175 PHE 13 CZ 0.0009 0.0030 -0.0037 176 PHE 13 HZ 0.0007 0.0029 -0.0033 177 PHE 13 CD2 0.0016 0.0024 -0.0045 178 PHE 13 HD2 0.0019 0.0019 -0.0046 179 PHE 13 CE2 0.0013 0.0024 -0.0039 180 PHE 13 HE2 0.0014 0.0019 -0.0037 181 PHE 13 C 0.0019 0.0031 -0.0056 182 PHE 13 O 0.0022 0.0026 -0.0056 183 LEU 14 N -0.0024 0.0025 -0.0026 184 LEU 14 HN -0.0016 0.0017 -0.0027 185 LEU 14 CA -0.0037 0.0021 -0.0012 186 LEU 14 HA -0.0042 0.0027 -0.0013 187 LEU 14 CB -0.0032 0.0001 -0.0002 188 LEU 14 HB1 -0.0042 -0.0002 0.0009 189 LEU 14 HB2 -0.0028 -0.0005 0.0000 190 LEU 14 CG -0.0017 -0.0006 -0.0008 191 LEU 14 HG -0.0006 -0.0004 -0.0018 192 LEU 14 CD1 -0.0012 -0.0025 0.0003 193 LEU 14 HD11 -0.0023 -0.0028 0.0013 194 LEU 14 HD12 -0.0001 -0.0030 -0.0002 195 LEU 14 HD13 -0.0009 -0.0032 0.0006 196 LEU 14 CD2 -0.0020 0.0003 -0.0013 197 LEU 14 HD21 -0.0022 0.0017 -0.0022 198 LEU 14 HD22 -0.0010 -0.0003 -0.0016 199 LEU 14 HD23 -0.0032 0.0003 -0.0003 200 LEU 14 C -0.0052 0.0028 -0.0005 201 LEU 14 O -0.0050 0.0025 -0.0005 202 SER 15 N -0.0082 -0.0012 0.0067 203 SER 15 HN -0.0085 -0.0012 0.0068 204 SER 15 CA -0.0090 -0.0008 0.0066 205 SER 15 HA -0.0088 -0.0011 0.0068 206 SER 15 CB -0.0091 0.0001 0.0057 207 SER 15 HB1 -0.0098 0.0005 0.0057 208 SER 15 HB2 -0.0093 0.0004 0.0055 209 SER 15 OG -0.0082 0.0002 0.0051 210 SER 15 HG1 -0.0076 -0.0003 0.0053 211 SER 15 C -0.0101 -0.0008 0.0073 212 SER 15 O -0.0104 -0.0009 0.0076 213 ALA 16 N -0.0121 -0.0017 0.0117 214 ALA 16 HN -0.0120 -0.0010 0.0113 215 ALA 16 CA -0.0112 -0.0025 0.0100 216 ALA 16 HA -0.0113 -0.0030 0.0105 217 ALA 16 CB -0.0108 -0.0005 0.0084 218 ALA 16 HB1 -0.0114 0.0010 0.0091 219 ALA 16 HB2 -0.0106 0.0001 0.0077 220 ALA 16 HB3 -0.0101 -0.0009 0.0070 221 ALA 16 C -0.0103 -0.0045 0.0090 222 ALA 16 O -0.0102 -0.0045 0.0086 223 GLU 17 N -0.0143 -0.0073 0.0115 224 GLU 17 HN -0.0120 -0.0093 0.0075 225 GLU 17 CA -0.0094 -0.0094 0.0138 226 GLU 17 HA -0.0130 -0.0071 0.0157 227 GLU 17 CB -0.0026 -0.0115 0.0211 228 GLU 17 HB1 0.0021 -0.0141 0.0207 229 GLU 17 HB2 0.0000 -0.0132 0.0198 230 GLU 17 CG -0.0049 -0.0083 0.0306 231 GLU 17 HG1 -0.0094 -0.0056 0.0317 232 GLU 17 HG2 -0.0073 -0.0067 0.0322 233 GLU 17 CD 0.0025 -0.0109 0.0369 234 GLU 17 OE1 0.0020 -0.0092 0.0436 235 GLU 17 OE2 0.0091 -0.0149 0.0347 236 GLU 17 C -0.0053 -0.0133 0.0059 237 GLU 17 O -0.0013 -0.0162 0.0020 238 GLY 18 N -0.0072 -0.0243 -0.0052 239 GLY 18 HN -0.0032 -0.0226 -0.0131 240 GLY 18 CA -0.0074 -0.0307 -0.0113 241 GLY 18 HA1 -0.0137 -0.0423 -0.0080 242 GLY 18 HA2 -0.0023 -0.0310 -0.0240 243 GLY 18 C -0.0057 -0.0208 -0.0052 244 GLY 18 O 0.0017 -0.0084 -0.0101 245 GLU 19 N -0.0037 -0.0161 -0.0058 246 GLU 19 HN -0.0088 -0.0166 -0.0082 247 GLU 19 CA -0.0038 -0.0078 -0.0017 248 GLU 19 HA 0.0025 -0.0074 0.0011 249 GLU 19 CB -0.0061 -0.0009 0.0008 250 GLU 19 HB1 -0.0064 0.0055 0.0038 251 GLU 19 HB2 -0.0126 -0.0012 -0.0021 252 GLU 19 CG 0.0007 -0.0015 0.0033 253 GLU 19 HG1 0.0013 -0.0076 0.0005 254 GLU 19 HG2 0.0072 -0.0008 0.0064 255 GLU 19 CD -0.0018 0.0056 0.0058 256 GLU 19 OE1 -0.0050 0.0130 0.0082 257 GLU 19 OE2 -0.0004 0.0038 0.0055 258 GLU 19 C -0.0107 -0.0057 -0.0036 259 GLU 19 O -0.0125 0.0015 -0.0007 260 ALA 20 N -0.0061 -0.0035 0.0036 261 ALA 20 HN -0.0060 -0.0046 0.0045 262 ALA 20 CA -0.0079 -0.0029 0.0034 263 ALA 20 HA -0.0082 -0.0016 0.0024 264 ALA 20 CB -0.0077 -0.0032 0.0036 265 ALA 20 HB1 -0.0091 -0.0027 0.0033 266 ALA 20 HB2 -0.0063 -0.0026 0.0030 267 ALA 20 HB3 -0.0075 -0.0045 0.0046 268 ALA 20 C -0.0098 -0.0037 0.0041 269 ALA 20 O -0.0097 -0.0048 0.0050 270 VAL 21 N -0.0085 -0.0021 0.0044 271 VAL 21 HN -0.0087 -0.0017 0.0043 272 VAL 21 CA -0.0090 -0.0022 0.0046 273 VAL 21 HA -0.0089 -0.0025 0.0046 274 VAL 21 CB -0.0093 -0.0014 0.0045 275 VAL 21 HB -0.0095 -0.0011 0.0045 276 VAL 21 CG1 -0.0098 -0.0016 0.0047 277 VAL 21 HG11 -0.0102 -0.0018 0.0050 278 VAL 21 HG12 -0.0095 -0.0019 0.0047 279 VAL 21 HG13 -0.0099 -0.0010 0.0047 280 VAL 21 CG2 -0.0086 -0.0011 0.0042 281 VAL 21 HG21 -0.0088 -0.0006 0.0042 282 VAL 21 HG22 -0.0084 -0.0015 0.0042 283 VAL 21 HG23 -0.0083 -0.0009 0.0040 284 VAL 21 C -0.0096 -0.0024 0.0049 285 VAL 21 O -0.0098 -0.0022 0.0049 286 LYS 22 N -0.0102 -0.0041 0.0038 287 LYS 22 HN -0.0108 -0.0050 0.0050 288 LYS 22 CA -0.0104 -0.0042 0.0039 289 LYS 22 HA -0.0103 -0.0032 0.0023 290 LYS 22 CB -0.0085 -0.0046 0.0056 291 LYS 22 HB1 -0.0068 -0.0038 0.0053 292 LYS 22 HB2 -0.0085 -0.0045 0.0055 293 LYS 22 CG -0.0087 -0.0061 0.0079 294 LYS 22 HG1 -0.0099 -0.0069 0.0085 295 LYS 22 HG2 -0.0097 -0.0064 0.0078 296 LYS 22 CD -0.0064 -0.0062 0.0094 297 LYS 22 HD1 -0.0069 -0.0073 0.0109 298 LYS 22 HD2 -0.0053 -0.0054 0.0088 299 LYS 22 CE -0.0050 -0.0061 0.0100 300 LYS 22 HE1 -0.0043 -0.0050 0.0087 301 LYS 22 HE2 -0.0062 -0.0068 0.0105 302 LYS 22 NZ -0.0031 -0.0065 0.0118 303 LYS 22 HZ1 -0.0022 -0.0067 0.0125 304 LYS 22 HZ2 -0.0019 -0.0059 0.0115 305 LYS 22 HZ3 -0.0038 -0.0075 0.0130 306 LYS 22 C -0.0129 -0.0053 0.0042 307 LYS 22 O -0.0140 -0.0062 0.0051 308 THR 23 N -0.0049 0.0000 -0.0032 309 THR 23 HN -0.0054 0.0002 -0.0031 310 THR 23 CA -0.0044 -0.0001 -0.0039 311 THR 23 HA -0.0037 -0.0004 -0.0038 312 THR 23 CB -0.0044 -0.0001 -0.0040 313 THR 23 HB -0.0050 0.0001 -0.0041 314 THR 23 OG1 -0.0041 -0.0003 -0.0031 315 THR 23 HG1 -0.0042 -0.0003 -0.0032 316 THR 23 CG2 -0.0038 -0.0003 -0.0047 317 THR 23 HG21 -0.0037 -0.0003 -0.0047 318 THR 23 HG22 -0.0040 -0.0002 -0.0054 319 THR 23 HG23 -0.0031 -0.0006 -0.0046 320 THR 23 C -0.0046 0.0001 -0.0048 321 THR 23 O -0.0054 0.0004 -0.0050 322 HIS 24 N -0.0001 -0.0001 -0.0054 323 HIS 24 HN -0.0019 -0.0015 -0.0058 324 HIS 24 CA 0.0006 -0.0004 -0.0025 325 HIS 24 HA 0.0024 0.0012 -0.0027 326 HIS 24 CB 0.0011 -0.0010 0.0006 327 HIS 24 HB1 -0.0007 -0.0025 0.0007 328 HIS 24 HB2 0.0027 0.0004 0.0005 329 HIS 24 CD2 0.0013 -0.0027 0.0067 330 HIS 24 HD2 0.0001 -0.0040 0.0075 331 HIS 24 CG 0.0019 -0.0013 0.0038 332 HIS 24 NE2 0.0027 -0.0023 0.0088 333 HIS 24 HE2 0.0028 -0.0029 0.0113 334 HIS 24 ND1 0.0035 0.0000 0.0039 335 HIS 24 HD1 0.0042 0.0012 0.0021 336 HIS 24 CE1 0.0040 -0.0006 0.0070 337 HIS 24 HE1 0.0052 0.0002 0.0080 338 HIS 24 C -0.0015 -0.0022 -0.0024 339 HIS 24 O -0.0038 -0.0040 -0.0031 340 HIS 25 N 0.0093 0.0032 -0.0005 341 HIS 25 HN 0.0104 0.0079 0.0006 342 HIS 25 CA 0.0097 0.0017 -0.0035 343 HIS 25 HA 0.0096 -0.0019 -0.0073 344 HIS 25 CB 0.0122 0.0076 -0.0063 345 HIS 25 HB1 0.0137 0.0090 -0.0103 346 HIS 25 HB2 0.0124 0.0064 -0.0082 347 HIS 25 CD2 0.0123 0.0157 0.0020 348 HIS 25 HD2 0.0117 0.0138 0.0025 349 HIS 25 CG 0.0126 0.0132 -0.0015 350 HIS 25 NE2 0.0131 0.0212 0.0053 351 HIS 25 HE2 0.0131 0.0240 0.0084 352 HIS 25 ND1 0.0135 0.0172 -0.0007 353 HIS 25 HD1 0.0139 0.0166 -0.0027 354 HIS 25 CE1 0.0138 0.0218 0.0035 355 HIS 25 HE1 0.0145 0.0257 0.0053 356 HIS 25 C 0.0076 -0.0010 0.0011 357 HIS 25 O 0.0071 -0.0044 -0.0010 358 GLY 26 N 0.0137 -0.0098 0.0071 359 GLY 26 HN 0.0163 -0.0091 0.0060 360 GLY 26 CA 0.0122 -0.0109 0.0100 361 GLY 26 HA1 0.0092 -0.0109 0.0092 362 GLY 26 HA2 0.0142 -0.0107 0.0102 363 GLY 26 C 0.0120 -0.0122 0.0141 364 GLY 26 O 0.0142 -0.0123 0.0152 365 HIS 27 N 0.0151 -0.0085 0.0191 366 HIS 27 HN 0.0079 -0.0135 0.0175 367 HIS 27 CA 0.0133 -0.0090 0.0323 368 HIS 27 HA 0.0031 -0.0157 0.0329 369 HIS 27 CB 0.0205 -0.0042 0.0318 370 HIS 27 HB1 0.0179 -0.0053 0.0423 371 HIS 27 HB2 0.0309 0.0028 0.0314 372 HIS 27 CD2 0.0239 -0.0035 0.0058 373 HIS 27 HD2 0.0340 0.0031 0.0031 374 HIS 27 CG 0.0167 -0.0075 0.0182 375 HIS 27 NE2 0.0156 -0.0096 -0.0035 376 HIS 27 HE2 0.0176 -0.0089 -0.0140 377 HIS 27 ND1 0.0041 -0.0160 0.0168 378 HIS 27 HD1 -0.0032 -0.0204 0.0243 379 HIS 27 CE1 0.0038 -0.0170 0.0036 380 HIS 27 HE1 -0.0049 -0.0231 -0.0012 381 HIS 27 C 0.0163 -0.0061 0.0461 382 HIS 27 O 0.0259 0.0003 0.0457 383 HIS 28 N 0.0232 -0.0086 -0.0031 384 HIS 28 HN 0.0306 -0.0082 -0.0052 385 HIS 28 CA 0.0106 -0.0037 -0.0020 386 HIS 28 HA 0.0126 -0.0008 -0.0038 387 HIS 28 CB 0.0043 0.0082 -0.0057 388 HIS 28 HB1 0.0109 0.0153 -0.0106 389 HIS 28 HB2 -0.0050 0.0114 -0.0047 390 HIS 28 CD2 0.0067 0.0149 -0.0094 391 HIS 28 HD2 0.0136 0.0216 -0.0142 392 HIS 28 CG 0.0019 0.0080 -0.0049 393 HIS 28 NE2 0.0014 0.0127 -0.0069 394 HIS 28 HE2 0.0033 0.0165 -0.0092 395 HIS 28 ND1 -0.0067 0.0014 0.0004 396 HIS 28 HD1 -0.0121 -0.0046 0.0045 397 HIS 28 CE1 -0.0065 0.0044 -0.0011 398 HIS 28 HE1 -0.0119 -0.0000 0.0024 399 HIS 28 C 0.0004 -0.0124 0.0047 400 HIS 28 O -0.0076 -0.0103 0.0059 401 ASP 29 N -0.0004 -0.0078 0.0027 402 ASP 29 HN 0.0025 -0.0087 0.0029 403 ASP 29 CA -0.0025 -0.0100 -0.0004 404 ASP 29 HA -0.0034 -0.0093 -0.0001 405 ASP 29 CB 0.0006 -0.0133 -0.0026 406 ASP 29 HB1 -0.0009 -0.0150 -0.0050 407 ASP 29 HB2 0.0019 -0.0140 -0.0029 408 ASP 29 CG 0.0043 -0.0132 -0.0012 409 ASP 29 OD1 0.0075 -0.0155 -0.0022 410 ASP 29 OD2 0.0039 -0.0111 0.0009 411 ASP 29 C -0.0064 -0.0100 -0.0020 412 ASP 29 O -0.0067 -0.0098 -0.0018 413 HIS 30 N -0.0305 0.0247 -0.0541 414 HIS 30 HN -0.0466 0.0552 -0.0320 415 HIS 30 CA -0.0189 -0.0275 -0.0239 416 HIS 30 HA -0.0013 -0.0583 -0.0522 417 HIS 30 CB -0.0277 -0.0346 0.0248 418 HIS 30 HB1 -0.0179 -0.0757 0.0457 419 HIS 30 HB2 -0.0455 -0.0052 0.0559 420 HIS 30 CD2 -0.0430 0.0124 0.0181 421 HIS 30 HD2 -0.0608 0.0456 0.0438 422 HIS 30 CG -0.0264 -0.0261 0.0060 423 HIS 30 NE2 -0.0324 0.0008 -0.0095 424 HIS 30 HE2 -0.0398 0.0222 -0.0106 425 HIS 30 ND1 -0.0059 -0.0616 -0.0276 426 HIS 30 HD1 0.0092 -0.0941 -0.0421 427 HIS 30 CE1 -0.0101 -0.0441 -0.0361 428 HIS 30 HE1 0.0025 -0.0623 -0.0624 429 HIS 30 C -0.0218 -0.0351 -0.0001 430 HIS 30 O -0.0393 0.0011 0.0196 431 HIS 31 N -0.0083 0.0064 -0.0008 432 HIS 31 HN -0.0081 0.0060 -0.0010 433 HIS 31 CA -0.0081 0.0060 -0.0009 434 HIS 31 HA -0.0081 0.0066 -0.0012 435 HIS 31 CB -0.0076 0.0052 -0.0016 436 HIS 31 HB1 -0.0075 0.0048 -0.0016 437 HIS 31 HB2 -0.0076 0.0046 -0.0013 438 HIS 31 CD2 -0.0070 0.0057 -0.0029 439 HIS 31 HD2 -0.0071 0.0057 -0.0026 440 HIS 31 CG -0.0072 0.0056 -0.0025 441 HIS 31 NE2 -0.0066 0.0060 -0.0038 442 HIS 31 HE2 -0.0064 0.0062 -0.0043 443 HIS 31 ND1 -0.0069 0.0057 -0.0031 444 HIS 31 HD1 -0.0069 0.0057 -0.0030 445 HIS 31 CE1 -0.0065 0.0060 -0.0039 446 HIS 31 HE1 -0.0062 0.0062 -0.0045 447 HIS 31 C -0.0085 0.0056 -0.0001 448 HIS 31 O -0.0087 0.0052 0.0006 449 THR 32 N -0.0041 0.0130 0.0018 450 THR 32 HN -0.0044 0.0125 0.0028 451 THR 32 CA -0.0040 0.0125 0.0034 452 THR 32 HA -0.0047 0.0126 0.0020 453 THR 32 CB -0.0055 0.0109 0.0056 454 THR 32 HB -0.0048 0.0109 0.0071 455 THR 32 OG1 -0.0080 0.0100 0.0046 456 THR 32 HG1 -0.0079 0.0105 0.0030 457 THR 32 CG2 -0.0056 0.0104 0.0071 458 THR 32 HG21 -0.0068 0.0092 0.0086 459 THR 32 HG22 -0.0037 0.0111 0.0081 460 THR 32 HG23 -0.0063 0.0105 0.0057 461 THR 32 C -0.0014 0.0135 0.0045 462 THR 32 O 0.0000 0.0138 0.0059 463 HIS 33 N 0.0059 0.0183 0.0066 464 HIS 33 HN 0.0049 0.0182 0.0059 465 HIS 33 CA 0.0066 0.0187 0.0070 466 HIS 33 HA 0.0077 0.0189 0.0076 467 HIS 33 CB 0.0064 0.0200 0.0060 468 HIS 33 HB1 0.0069 0.0202 0.0063 469 HIS 33 HB2 0.0053 0.0198 0.0053 470 HIS 33 CD2 0.0074 0.0217 0.0059 471 HIS 33 HD2 0.0078 0.0210 0.0066 472 HIS 33 CG 0.0068 0.0214 0.0056 473 HIS 33 NE2 0.0076 0.0231 0.0052 474 HIS 33 HE2 0.0079 0.0236 0.0052 475 HIS 33 ND1 0.0066 0.0226 0.0047 476 HIS 33 HD1 0.0061 0.0227 0.0043 477 HIS 33 CE1 0.0070 0.0236 0.0045 478 HIS 33 HE1 0.0069 0.0247 0.0038 479 HIS 33 C 0.0062 0.0173 0.0074 480 HIS 33 O 0.0050 0.0167 0.0068 481 PHE 34 N 0.0033 0.0056 0.0021 482 PHE 34 HN 0.0049 0.0059 0.0017 483 PHE 34 CA 0.0029 0.0040 0.0042 484 PHE 34 HA 0.0010 0.0039 0.0045 485 PHE 34 CB 0.0038 0.0031 0.0052 486 PHE 34 HB1 0.0037 0.0019 0.0068 487 PHE 34 HB2 0.0058 0.0034 0.0049 488 PHE 34 CG 0.0024 0.0036 0.0047 489 PHE 34 CD1 -0.0000 0.0031 0.0055 490 PHE 34 HD1 -0.0008 0.0024 0.0064 491 PHE 34 CE1 -0.0014 0.0034 0.0051 492 PHE 34 HE1 -0.0032 0.0030 0.0057 493 PHE 34 CZ -0.0004 0.0043 0.0040 494 PHE 34 HZ -0.0014 0.0045 0.0037 495 PHE 34 CD2 0.0034 0.0044 0.0036 496 PHE 34 HD2 0.0052 0.0048 0.0031 497 PHE 34 CE2 0.0020 0.0048 0.0033 498 PHE 34 HE2 0.0028 0.0055 0.0024 499 PHE 34 C 0.0041 0.0034 0.0050 500 PHE 34 O 0.0063 0.0035 0.0047 501 HIS 35 N 0.0039 -0.0071 0.0026 502 HIS 35 HN 0.0026 -0.0040 0.0041 503 HIS 35 CA -0.0010 -0.0144 0.0052 504 HIS 35 HA 0.0006 -0.0166 0.0035 505 HIS 35 CB -0.0086 -0.0116 0.0115 506 HIS 35 HB1 -0.0126 -0.0174 0.0137 507 HIS 35 HB2 -0.0100 -0.0083 0.0132 508 HIS 35 CD2 -0.0076 0.0040 0.0134 509 HIS 35 HD2 -0.0059 0.0084 0.0128 510 HIS 35 CG -0.0090 -0.0051 0.0129 511 HIS 35 NE2 -0.0090 0.0073 0.0150 512 HIS 35 HE2 -0.0084 0.0136 0.0156 513 HIS 35 ND1 -0.0113 -0.0073 0.0144 514 HIS 35 HD1 -0.0130 -0.0134 0.0146 515 HIS 35 CE1 -0.0112 0.0003 0.0155 516 HIS 35 HE1 -0.0128 0.0006 0.0168 517 HIS 35 C -0.0009 -0.0220 0.0038 518 HIS 35 O -0.0020 -0.0212 0.0048 519 VAL 36 N -0.0069 -0.0176 0.0065 520 VAL 36 HN -0.0091 -0.0204 0.0068 521 VAL 36 CA -0.0073 -0.0171 0.0026 522 VAL 36 HA -0.0049 -0.0138 0.0010 523 VAL 36 CB -0.0103 -0.0198 -0.0020 524 VAL 36 HB -0.0127 -0.0232 -0.0004 525 VAL 36 CG1 -0.0107 -0.0194 -0.0060 526 VAL 36 HG11 -0.0116 -0.0209 -0.0042 527 VAL 36 HG12 -0.0082 -0.0160 -0.0074 528 VAL 36 HG13 -0.0127 -0.0211 -0.0095 529 VAL 36 CG2 -0.0095 -0.0182 -0.0050 530 VAL 36 HG21 -0.0072 -0.0148 -0.0067 531 VAL 36 HG22 -0.0092 -0.0184 -0.0023 532 VAL 36 HG23 -0.0118 -0.0201 -0.0083 533 VAL 36 C -0.0079 -0.0186 0.0055 534 VAL 36 O -0.0102 -0.0221 0.0081 535 GLU 37 N -0.0086 -0.0278 0.0038 536 GLU 37 HN -0.0064 -0.0239 0.0014 537 GLU 37 CA -0.0048 -0.0265 0.0049 538 GLU 37 HA -0.0074 -0.0310 0.0078 539 GLU 37 CB 0.0045 -0.0249 0.0089 540 GLU 37 HB1 0.0075 -0.0200 0.0058 541 GLU 37 HB2 0.0052 -0.0290 0.0135 542 GLU 37 CG 0.0091 -0.0246 0.0113 543 GLU 37 HG1 0.0059 -0.0293 0.0141 544 GLU 37 HG2 0.0093 -0.0201 0.0069 545 GLU 37 CD 0.0179 -0.0242 0.0161 546 GLU 37 OE1 0.0232 -0.0186 0.0138 547 GLU 37 OE2 0.0194 -0.0295 0.0224 548 GLU 37 C -0.0064 -0.0207 -0.0019 549 GLU 37 O -0.0058 -0.0155 -0.0068 550 ASN 38 N -0.0054 -0.0055 -0.0004 551 ASN 38 HN -0.0126 0.0012 0.0004 552 ASN 38 CA -0.0088 -0.0040 -0.0161 553 ASN 38 HA -0.0039 -0.0080 -0.0105 554 ASN 38 CB -0.0261 0.0117 -0.0192 555 ASN 38 HB1 -0.0292 0.0160 -0.0057 556 ASN 38 HB2 -0.0286 0.0125 -0.0329 557 ASN 38 CG -0.0356 0.0203 -0.0214 558 ASN 38 OD1 -0.0352 0.0183 -0.0360 559 ASN 38 ND2 -0.0451 0.0307 -0.0065 560 ASN 38 HD21 -0.0515 0.0365 -0.0084 561 ASN 38 HD22 -0.0459 0.0327 0.0049 562 ASN 38 C -0.0017 -0.0128 -0.0362 563 ASN 38 O 0.0005 -0.0155 -0.0424 564 HIS 39 N -0.0057 0.0001 -0.0155 565 HIS 39 HN -0.0120 0.0015 -0.0175 566 HIS 39 CA 0.0014 0.0065 -0.0179 567 HIS 39 HA 0.0068 0.0062 -0.0167 568 HIS 39 CB 0.0055 0.0060 -0.0168 569 HIS 39 HB1 0.0095 0.0115 -0.0194 570 HIS 39 HB2 -0.0001 0.0049 -0.0173 571 HIS 39 CD2 0.0102 -0.0079 -0.0075 572 HIS 39 HD2 0.0038 -0.0112 -0.0067 573 HIS 39 CG 0.0118 -0.0005 -0.0117 574 HIS 39 NE2 0.0184 -0.0111 -0.0039 575 HIS 39 HE2 0.0195 -0.0168 -0.0002 576 HIS 39 ND1 0.0209 0.0012 -0.0110 577 HIS 39 HD1 0.0240 0.0064 -0.0135 578 HIS 39 CE1 0.0245 -0.0054 -0.0062 579 HIS 39 HE1 0.0317 -0.0061 -0.0044 580 HIS 39 C -0.0025 0.0144 -0.0236 581 HIS 39 O -0.0003 0.0201 -0.0266 582 GLY 40 N -0.0013 -0.0126 0.0028 583 GLY 40 HN 0.0161 -0.0079 -0.0135 584 GLY 40 CA 0.0114 -0.0219 0.0357 585 GLY 40 HA1 -0.0092 -0.0272 0.0538 586 GLY 40 HA2 0.0331 -0.0234 0.0416 587 GLY 40 C 0.0251 -0.0218 0.0358 588 GLY 40 O 0.0421 -0.0151 0.0125 589 GLY 41 N 0.0380 -0.0024 0.0480 590 GLY 41 HN 0.0435 0.0198 0.0663 591 GLY 41 CA 0.0118 -0.0010 0.0203 592 GLY 41 HA1 0.0041 0.0240 0.0257 593 GLY 41 HA2 0.0167 -0.0249 0.0124 594 GLY 41 C -0.0127 -0.0013 -0.0065 595 GLY 41 O -0.0318 -0.0102 -0.0322 596 LYS 42 N -0.0095 0.0178 -0.0048 597 LYS 42 HN -0.0038 0.0183 -0.0056 598 LYS 42 CA -0.0138 0.0113 -0.0048 599 LYS 42 HA -0.0192 0.0100 -0.0041 600 LYS 42 CB -0.0163 0.0133 -0.0042 601 LYS 42 HB1 -0.0179 0.0076 -0.0045 602 LYS 42 HB2 -0.0112 0.0161 -0.0047 603 LYS 42 CG -0.0236 0.0186 -0.0025 604 LYS 42 HG1 -0.0223 0.0243 -0.0021 605 LYS 42 HG2 -0.0283 0.0155 -0.0021 606 LYS 42 CD -0.0270 0.0199 -0.0018 607 LYS 42 HD1 -0.0329 0.0225 -0.0006 608 LYS 42 HD2 -0.0279 0.0139 -0.0023 609 LYS 42 CE -0.0219 0.0250 -0.0021 610 LYS 42 HE1 -0.0247 0.0253 -0.0016 611 LYS 42 HE2 -0.0159 0.0225 -0.0033 612 LYS 42 NZ -0.0211 0.0332 -0.0014 613 LYS 42 HZ1 -0.0182 0.0368 -0.0015 614 LYS 42 HZ2 -0.0267 0.0354 -0.0003 615 LYS 42 HZ3 -0.0179 0.0331 -0.0019 616 LYS 42 C -0.0090 0.0038 -0.0063 617 LYS 42 O -0.0018 0.0040 -0.0074 618 VAL 43 N -0.0113 -0.0020 -0.0110 619 VAL 43 HN -0.0134 -0.0020 -0.0114 620 VAL 43 CA -0.0098 -0.0049 -0.0104 621 VAL 43 HA -0.0078 -0.0049 -0.0100 622 VAL 43 CB -0.0118 -0.0076 -0.0103 623 VAL 43 HB -0.0104 -0.0097 -0.0098 624 VAL 43 CG1 -0.0129 -0.0071 -0.0106 625 VAL 43 HG11 -0.0141 -0.0092 -0.0105 626 VAL 43 HG12 -0.0110 -0.0067 -0.0103 627 VAL 43 HG13 -0.0145 -0.0052 -0.0112 628 VAL 43 CG2 -0.0144 -0.0082 -0.0107 629 VAL 43 HG21 -0.0159 -0.0101 -0.0107 630 VAL 43 HG22 -0.0158 -0.0061 -0.0113 631 VAL 43 HG23 -0.0136 -0.0088 -0.0105 632 VAL 43 C -0.0086 -0.0054 -0.0101 633 VAL 43 O -0.0096 -0.0039 -0.0105 634 ALA 44 N -0.0017 -0.0086 -0.0071 635 ALA 44 HN -0.0015 -0.0105 -0.0060 636 ALA 44 CA 0.0012 -0.0091 -0.0059 637 ALA 44 HA 0.0006 -0.0070 -0.0072 638 ALA 44 CB 0.0062 -0.0084 -0.0047 639 ALA 44 HB1 0.0071 -0.0052 -0.0060 640 ALA 44 HB2 0.0069 -0.0107 -0.0032 641 ALA 44 HB3 0.0083 -0.0086 -0.0039 642 ALA 44 C -0.0002 -0.0136 -0.0040 643 ALA 44 O -0.0014 -0.0164 -0.0030 644 LEU 45 N 0.0000 -0.0064 -0.0031 645 LEU 45 HN 0.0007 -0.0045 -0.0036 646 LEU 45 CA -0.0010 -0.0087 -0.0026 647 LEU 45 HA -0.0019 -0.0105 -0.0023 648 LEU 45 CB -0.0028 -0.0079 -0.0044 649 LEU 45 HB1 -0.0034 -0.0096 -0.0039 650 LEU 45 HB2 -0.0018 -0.0060 -0.0047 651 LEU 45 CG -0.0051 -0.0075 -0.0064 652 LEU 45 HG -0.0046 -0.0058 -0.0069 653 LEU 45 CD1 -0.0067 -0.0065 -0.0081 654 LEU 45 HD11 -0.0084 -0.0061 -0.0096 655 LEU 45 HD12 -0.0055 -0.0045 -0.0083 656 LEU 45 HD13 -0.0073 -0.0080 -0.0077 657 LEU 45 CD2 -0.0068 -0.0101 -0.0062 658 LEU 45 HD21 -0.0066 -0.0120 -0.0051 659 LEU 45 HD22 -0.0061 -0.0102 -0.0057 660 LEU 45 HD23 -0.0088 -0.0101 -0.0077 661 LEU 45 C 0.0012 -0.0091 -0.0007 662 LEU 45 O 0.0027 -0.0072 -0.0006 663 LYS 46 N 0.0018 -0.0057 -0.0017 664 LYS 46 HN 0.0009 -0.0093 -0.0020 665 LYS 46 CA 0.0037 -0.0045 0.0020 666 LYS 46 HA 0.0043 -0.0006 0.0014 667 LYS 46 CB 0.0055 -0.0054 0.0069 668 LYS 46 HB1 0.0059 -0.0036 0.0069 669 LYS 46 HB2 0.0070 -0.0035 0.0094 670 LYS 46 CG 0.0050 -0.0109 0.0088 671 LYS 46 HG1 0.0048 -0.0126 0.0093 672 LYS 46 HG2 0.0035 -0.0129 0.0062 673 LYS 46 CD 0.0069 -0.0112 0.0135 674 LYS 46 HD1 0.0069 -0.0098 0.0127 675 LYS 46 HD2 0.0085 -0.0086 0.0157 676 LYS 46 CE 0.0068 -0.0163 0.0161 677 LYS 46 HE1 0.0070 -0.0176 0.0171 678 LYS 46 HE2 0.0053 -0.0190 0.0139 679 LYS 46 NZ 0.0086 -0.0160 0.0203 680 LYS 46 HZ1 0.0082 -0.0162 0.0193 681 LYS 46 HZ2 0.0090 -0.0190 0.0227 682 LYS 46 HZ3 0.0100 -0.0127 0.0217 683 LYS 46 C 0.0029 -0.0072 0.0016 684 LYS 46 O 0.0012 -0.0110 -0.0003 685 THR 47 N -0.0003 0.0068 0.0042 686 THR 47 HN -0.0010 0.0059 0.0039 687 THR 47 CA -0.0001 0.0076 0.0036 688 THR 47 HA 0.0007 0.0080 0.0044 689 THR 47 CB -0.0008 0.0067 0.0033 690 THR 47 HB -0.0006 0.0073 0.0030 691 THR 47 OG1 -0.0019 0.0062 0.0022 692 THR 47 HG1 -0.0023 0.0056 0.0022 693 THR 47 CG2 -0.0009 0.0055 0.0045 694 THR 47 HG21 -0.0012 0.0048 0.0048 695 THR 47 HG22 -0.0013 0.0049 0.0043 696 THR 47 HG23 -0.0001 0.0059 0.0054 697 THR 47 C -0.0001 0.0087 0.0023 698 THR 47 O -0.0004 0.0088 0.0017 699 HIS 48 N -0.0053 0.0165 0.0075 700 HIS 48 HN -0.0038 0.0164 0.0096 701 HIS 48 CA -0.0069 0.0194 0.0060 702 HIS 48 HA -0.0076 0.0211 0.0054 703 HIS 48 CB -0.0057 0.0216 0.0080 704 HIS 48 HB1 -0.0044 0.0228 0.0100 705 HIS 48 HB2 -0.0069 0.0239 0.0069 706 HIS 48 CD2 -0.0050 0.0196 0.0086 707 HIS 48 HD2 -0.0063 0.0214 0.0072 708 HIS 48 CG -0.0046 0.0194 0.0091 709 HIS 48 NE2 -0.0035 0.0171 0.0102 710 HIS 48 HE2 -0.0033 0.0167 0.0104 711 HIS 48 ND1 -0.0028 0.0168 0.0111 712 HIS 48 HD1 -0.0021 0.0161 0.0119 713 HIS 48 CE1 -0.0022 0.0155 0.0116 714 HIS 48 HE1 -0.0008 0.0133 0.0131 715 HIS 48 C -0.0087 0.0181 0.0032 716 HIS 48 O -0.0105 0.0199 0.0011 717 CYS 49 N 0.0029 0.0168 -0.0126 718 CYS 49 HN -0.0007 0.0131 -0.0032 719 CYS 49 CA 0.0043 0.0083 -0.0251 720 CYS 49 HA 0.0076 0.0109 -0.0343 721 CYS 49 CB -0.0006 -0.0079 -0.0225 722 CYS 49 HB1 -0.0039 -0.0106 -0.0138 723 CYS 49 HB2 -0.0020 -0.0092 -0.0189 724 CYS 49 SG 0.0007 -0.0201 -0.0382 725 CYS 49 HG1 0.0036 -0.0133 -0.0423 726 CYS 49 C 0.0060 0.0114 -0.0281 727 CYS 49 O 0.0072 0.0052 -0.0381 728 GLY 50 N 0.0042 0.0092 -0.0018 729 GLY 50 HN 0.0042 0.0097 -0.0009 730 GLY 50 CA 0.0045 0.0098 -0.0017 731 GLY 50 HA1 0.0049 0.0100 -0.0031 732 GLY 50 HA2 0.0049 0.0111 -0.0009 733 GLY 50 C 0.0037 0.0088 -0.0008 734 GLY 50 O 0.0039 0.0089 -0.0011 735 LYS 51 N 0.0078 0.0091 -0.0078 736 LYS 51 HN 0.0080 0.0092 -0.0085 737 LYS 51 CA 0.0045 0.0065 -0.0046 738 LYS 51 HA 0.0040 0.0059 -0.0054 739 LYS 51 CB 0.0009 0.0031 -0.0056 740 LYS 51 HB1 -0.0016 0.0011 -0.0033 741 LYS 51 HB2 0.0013 0.0036 -0.0043 742 LYS 51 CG -0.0000 0.0015 -0.0112 743 LYS 51 HG1 -0.0023 -0.0006 -0.0116 744 LYS 51 HG2 0.0025 0.0036 -0.0137 745 LYS 51 CD -0.0015 -0.0000 -0.0132 746 LYS 51 HD1 0.0007 0.0021 -0.0127 747 LYS 51 HD2 -0.0041 -0.0021 -0.0108 748 LYS 51 CE -0.0022 -0.0014 -0.0189 749 LYS 51 HE1 -0.0040 -0.0031 -0.0196 750 LYS 51 HE2 0.0005 0.0008 -0.0213 751 LYS 51 NZ -0.0043 -0.0035 -0.0204 752 LYS 51 HZ1 -0.0046 -0.0042 -0.0244 753 LYS 51 HZ2 -0.0070 -0.0058 -0.0185 754 LYS 51 HZ3 -0.0029 -0.0021 -0.0195 755 LYS 51 C 0.0054 0.0080 0.0010 756 LYS 51 O 0.0070 0.0096 0.0025 757 TYR 52 N 0.0090 0.0017 0.0001 758 TYR 52 HN 0.0086 0.0031 0.0018 759 TYR 52 CA 0.0094 0.0015 0.0004 760 TYR 52 HA 0.0104 -0.0005 -0.0009 761 TYR 52 CB 0.0104 0.0018 0.0040 762 TYR 52 HB1 0.0102 0.0021 0.0042 763 TYR 52 HB2 0.0095 0.0037 0.0055 764 TYR 52 CG 0.0128 -0.0006 0.0053 765 TYR 52 CD1 0.0135 -0.0011 0.0062 766 TYR 52 HD1 0.0123 0.0003 0.0058 767 TYR 52 CE1 0.0158 -0.0033 0.0074 768 TYR 52 HE1 0.0163 -0.0037 0.0080 769 TYR 52 CZ 0.0174 -0.0051 0.0079 770 TYR 52 OH 0.0197 -0.0074 0.0091 771 TYR 52 HH 0.0206 -0.0083 0.0095 772 TYR 52 CD2 0.0145 -0.0024 0.0059 773 TYR 52 HD2 0.0140 -0.0020 0.0053 774 TYR 52 CE2 0.0168 -0.0046 0.0072 775 TYR 52 HE2 0.0180 -0.0059 0.0076 776 TYR 52 C 0.0072 0.0035 -0.0011 777 TYR 52 O 0.0054 0.0059 -0.0006 778 LEU 53 N 0.0002 0.0001 0.0002 779 LEU 53 HN -0.0004 0.0000 0.0003 780 LEU 53 CA -0.0000 0.0004 -0.0001 781 LEU 53 HA 0.0005 0.0000 0.0003 782 LEU 53 CB -0.0013 0.0002 0.0001 783 LEU 53 HB1 -0.0015 0.0006 -0.0002 784 LEU 53 HB2 -0.0019 0.0004 -0.0001 785 LEU 53 CG -0.0016 -0.0007 0.0010 786 LEU 53 HG -0.0009 -0.0010 0.0013 787 LEU 53 CD1 -0.0016 -0.0013 0.0016 788 LEU 53 HD11 -0.0019 -0.0019 0.0022 789 LEU 53 HD12 -0.0008 -0.0013 0.0016 790 LEU 53 HD13 -0.0023 -0.0010 0.0014 791 LEU 53 CD2 -0.0027 -0.0008 0.0011 792 LEU 53 HD21 -0.0027 -0.0004 0.0007 793 LEU 53 HD22 -0.0029 -0.0014 0.0018 794 LEU 53 HD23 -0.0035 -0.0005 0.0009 795 LEU 53 C 0.0003 0.0013 -0.0009 796 LEU 53 O 0.0001 0.0018 -0.0015 797 SER 54 N 0.0027 -0.0018 -0.0015 798 SER 54 HN 0.0029 -0.0015 -0.0015 799 SER 54 CA 0.0029 -0.0014 -0.0019 800 SER 54 HA 0.0026 -0.0018 -0.0021 801 SER 54 CB 0.0033 -0.0008 -0.0012 802 SER 54 HB1 0.0035 -0.0003 -0.0009 803 SER 54 HB2 0.0031 -0.0012 -0.0005 804 SER 54 OG 0.0034 -0.0004 -0.0015 805 SER 54 HG1 0.0032 -0.0008 -0.0014 806 SER 54 C 0.0031 -0.0008 -0.0027 807 SER 54 O 0.0032 -0.0006 -0.0028 808 ILE 55 N 0.0016 -0.0022 -0.0036 809 ILE 55 HN 0.0017 -0.0020 -0.0037 810 ILE 55 CA 0.0014 -0.0018 -0.0041 811 ILE 55 HA 0.0012 -0.0022 -0.0039 812 ILE 55 CB 0.0006 -0.0015 -0.0047 813 ILE 55 HB 0.0007 -0.0010 -0.0050 814 ILE 55 CG2 -0.0001 -0.0023 -0.0047 815 ILE 55 HG21 -0.0003 -0.0028 -0.0044 816 ILE 55 HG22 0.0001 -0.0025 -0.0044 817 ILE 55 HG23 -0.0007 -0.0021 -0.0052 818 ILE 55 CG1 0.0002 -0.0012 -0.0052 819 ILE 55 HG11 0.0006 -0.0006 -0.0054 820 ILE 55 HG12 -0.0004 -0.0012 -0.0057 821 ILE 55 CD 0.0001 -0.0017 -0.0049 822 ILE 55 HD1 0.0008 -0.0017 -0.0045 823 ILE 55 HD2 -0.0002 -0.0024 -0.0047 824 ILE 55 HD3 -0.0002 -0.0015 -0.0053 825 ILE 55 C 0.0021 -0.0011 -0.0041 826 ILE 55 O 0.0021 -0.0006 -0.0044 827 GLY 56 N 0.0040 -0.0003 -0.0113 828 GLY 56 HN 0.0033 -0.0009 -0.0106 829 GLY 56 CA 0.0033 0.0008 -0.0104 830 GLY 56 HA1 0.0033 0.0025 -0.0103 831 GLY 56 HA2 0.0022 0.0001 -0.0093 832 GLY 56 C 0.0039 0.0008 -0.0111 833 GLY 56 O 0.0043 -0.0009 -0.0117 834 ASP 57 N -0.0003 -0.0040 -0.0143 835 ASP 57 HN 0.0045 -0.0177 -0.0232 836 ASP 57 CA -0.0114 -0.0009 -0.0058 837 ASP 57 HA -0.0090 0.0162 -0.0003 838 ASP 57 CB -0.0047 -0.0137 -0.0155 839 ASP 57 HB1 -0.0130 -0.0119 -0.0093 840 ASP 57 HB2 -0.0070 -0.0312 -0.0212 841 ASP 57 CG 0.0171 -0.0061 -0.0266 842 ASP 57 OD1 0.0267 0.0113 -0.0257 843 ASP 57 OD2 0.0240 -0.0179 -0.0360 844 ASP 57 C -0.0337 -0.0096 0.0052 845 ASP 57 O -0.0450 -0.0121 0.0115 846 HIS 58 N -0.0002 0.0008 -0.0149 847 HIS 58 HN -0.0006 0.0010 -0.0148 848 HIS 58 CA 0.0014 0.0019 -0.0153 849 HIS 58 HA 0.0021 0.0010 -0.0154 850 HIS 58 CB 0.0008 0.0037 -0.0151 851 HIS 58 HB1 -0.0001 0.0046 -0.0149 852 HIS 58 HB2 0.0000 0.0034 -0.0150 853 HIS 58 CD2 0.0026 0.0070 -0.0155 854 HIS 58 HD2 0.0017 0.0079 -0.0153 855 HIS 58 CG 0.0024 0.0051 -0.0155 856 HIS 58 NE2 0.0042 0.0075 -0.0159 857 HIS 58 HE2 0.0047 0.0088 -0.0160 858 HIS 58 ND1 0.0038 0.0044 -0.0158 859 HIS 58 HD1 0.0040 0.0031 -0.0158 860 HIS 58 CE1 0.0049 0.0059 -0.0160 861 HIS 58 HE1 0.0061 0.0059 -0.0163 862 HIS 58 C 0.0029 0.0022 -0.0156 863 HIS 58 O 0.0026 0.0019 -0.0155 864 LYS 59 N -0.0010 0.0024 -0.0121 865 LYS 59 HN -0.0006 0.0003 -0.0119 866 LYS 59 CA -0.0005 0.0043 -0.0095 867 LYS 59 HA -0.0006 0.0055 -0.0095 868 LYS 59 CB 0.0006 0.0025 -0.0067 869 LYS 59 HB1 0.0010 0.0040 -0.0047 870 LYS 59 HB2 0.0008 0.0012 -0.0068 871 LYS 59 CG 0.0011 0.0003 -0.0063 872 LYS 59 HG1 0.0019 -0.0008 -0.0041 873 LYS 59 HG2 0.0009 -0.0016 -0.0079 874 LYS 59 CD 0.0008 0.0016 -0.0065 875 LYS 59 HD1 0.0013 -0.0001 -0.0059 876 LYS 59 HD2 0.0001 0.0021 -0.0088 877 LYS 59 CE 0.0010 0.0045 -0.0047 878 LYS 59 HE1 0.0008 0.0052 -0.0050 879 LYS 59 HE2 0.0005 0.0064 -0.0054 880 LYS 59 NZ 0.0019 0.0042 -0.0016 881 LYS 59 HZ1 0.0024 0.0024 -0.0008 882 LYS 59 HZ2 0.0021 0.0038 -0.0013 883 LYS 59 HZ3 0.0020 0.0061 -0.0004 884 LYS 59 C -0.0007 0.0068 -0.0092 885 LYS 59 O -0.0007 0.0092 -0.0080 886 GLN 60 N -0.0040 0.0076 -0.0089 887 GLN 60 HN -0.0027 0.0079 -0.0090 888 GLN 60 CA -0.0047 0.0069 -0.0073 889 GLN 60 HA -0.0058 0.0067 -0.0073 890 GLN 60 CB -0.0033 0.0068 -0.0058 891 GLN 60 HB1 -0.0040 0.0063 -0.0046 892 GLN 60 HB2 -0.0022 0.0070 -0.0057 893 GLN 60 CG -0.0025 0.0070 -0.0061 894 GLN 60 HG1 -0.0019 0.0068 -0.0049 895 GLN 60 HG2 -0.0016 0.0076 -0.0071 896 GLN 60 CD -0.0038 0.0070 -0.0068 897 GLN 60 OE1 -0.0039 0.0074 -0.0083 898 GLN 60 NE2 -0.0048 0.0064 -0.0056 899 GLN 60 HE21 -0.0048 0.0060 -0.0045 900 GLN 60 HE22 -0.0056 0.0063 -0.0060 901 GLN 60 C -0.0052 0.0067 -0.0069 902 GLN 60 O -0.0043 0.0070 -0.0073 903 VAL 61 N -0.0052 0.0027 -0.0027 904 VAL 61 HN -0.0054 0.0025 -0.0029 905 VAL 61 CA -0.0053 0.0023 -0.0022 906 VAL 61 HA -0.0053 0.0024 -0.0024 907 VAL 61 CB -0.0056 0.0017 -0.0023 908 VAL 61 HB -0.0057 0.0016 -0.0023 909 VAL 61 CG1 -0.0057 0.0012 -0.0019 910 VAL 61 HG11 -0.0057 0.0013 -0.0019 911 VAL 61 HG12 -0.0060 0.0008 -0.0020 912 VAL 61 HG13 -0.0056 0.0013 -0.0014 913 VAL 61 CG2 -0.0059 0.0016 -0.0030 914 VAL 61 HG21 -0.0061 0.0011 -0.0030 915 VAL 61 HG22 -0.0059 0.0017 -0.0030 916 VAL 61 HG23 -0.0059 0.0019 -0.0033 917 VAL 61 C -0.0051 0.0024 -0.0016 918 VAL 61 O -0.0049 0.0025 -0.0014 919 TYR 62 N -0.0038 0.0055 -0.0072 920 TYR 62 HN -0.0037 0.0045 -0.0071 921 TYR 62 CA -0.0035 0.0064 -0.0043 922 TYR 62 HA -0.0037 0.0079 -0.0047 923 TYR 62 CB -0.0034 0.0081 -0.0022 924 TYR 62 HB1 -0.0031 0.0065 -0.0011 925 TYR 62 HB2 -0.0038 0.0099 -0.0036 926 TYR 62 CG -0.0033 0.0100 0.0004 927 TYR 62 CD1 -0.0028 0.0089 0.0035 928 TYR 62 HD1 -0.0025 0.0067 0.0042 929 TYR 62 CE1 -0.0026 0.0106 0.0059 930 TYR 62 HE1 -0.0022 0.0098 0.0083 931 TYR 62 CZ -0.0030 0.0135 0.0051 932 TYR 62 OH -0.0029 0.0151 0.0075 933 TYR 62 HH -0.0031 0.0163 0.0064 934 TYR 62 CD2 -0.0037 0.0129 -0.0003 935 TYR 62 HD2 -0.0041 0.0137 -0.0027 936 TYR 62 CE2 -0.0035 0.0146 0.0020 937 TYR 62 HE2 -0.0038 0.0168 0.0014 938 TYR 62 C -0.0031 0.0034 -0.0028 939 TYR 62 O -0.0028 0.0008 -0.0031 940 LEU 63 N -0.0044 0.0036 0.0017 941 LEU 63 HN -0.0044 0.0026 0.0015 942 LEU 63 CA -0.0031 0.0031 0.0011 943 LEU 63 HA -0.0031 0.0043 0.0013 944 LEU 63 CB -0.0036 0.0009 0.0010 945 LEU 63 HB1 -0.0029 -0.0004 0.0006 946 LEU 63 HB2 -0.0052 0.0006 0.0016 947 LEU 63 CG -0.0029 0.0007 0.0007 948 LEU 63 HG -0.0013 0.0013 0.0002 949 LEU 63 CD1 -0.0041 0.0019 0.0014 950 LEU 63 HD11 -0.0057 0.0014 0.0019 951 LEU 63 HD12 -0.0036 0.0018 0.0011 952 LEU 63 HD13 -0.0040 0.0037 0.0015 953 LEU 63 CD2 -0.0029 -0.0017 0.0004 954 LEU 63 HD21 -0.0025 -0.0019 0.0003 955 LEU 63 HD22 -0.0044 -0.0024 0.0009 956 LEU 63 HD23 -0.0018 -0.0026 -0.0001 957 LEU 63 C -0.0010 0.0033 0.0003 958 LEU 63 O -0.0005 0.0021 0.0000 959 SER 64 N 0.0040 0.0060 -0.0000 960 SER 64 HN 0.0046 0.0058 0.0000 961 SER 64 CA 0.0041 0.0063 0.0008 962 SER 64 HA 0.0032 0.0066 0.0009 963 SER 64 CB 0.0045 0.0065 0.0021 964 SER 64 HB1 0.0053 0.0062 0.0020 965 SER 64 HB2 0.0038 0.0069 0.0023 966 SER 64 OG 0.0047 0.0068 0.0030 967 SER 64 HG1 0.0056 0.0065 0.0030 968 SER 64 C 0.0050 0.0059 0.0005 969 SER 64 O 0.0058 0.0054 -0.0001 970 HIS 65 N 0.0047 0.0148 -0.0005 971 HIS 65 HN 0.0028 0.0166 0.0011 972 HIS 65 CA 0.0055 0.0134 0.0015 973 HIS 65 HA 0.0072 0.0119 -0.0009 974 HIS 65 CB 0.0027 0.0164 0.0027 975 HIS 65 HB1 0.0010 0.0179 0.0053 976 HIS 65 HB2 0.0017 0.0183 -0.0005 977 HIS 65 CD2 0.0029 0.0148 0.0088 978 HIS 65 HD2 0.0016 0.0158 0.0119 979 HIS 65 CG 0.0036 0.0149 0.0045 980 HIS 65 NE2 0.0044 0.0132 0.0087 981 HIS 65 HE2 0.0044 0.0125 0.0114 982 HIS 65 ND1 0.0055 0.0134 0.0017 983 HIS 65 HD1 0.0063 0.0132 -0.0017 984 HIS 65 CE1 0.0059 0.0123 0.0044 985 HIS 65 HE1 0.0073 0.0109 0.0033 986 HIS 65 C 0.0069 0.0108 0.0058 987 HIS 65 O 0.0054 0.0118 0.0092 988 HIS 66 N 0.0062 0.0095 0.0032 989 HIS 66 HN 0.0096 0.0165 -0.0003 990 HIS 66 CA 0.0088 0.0060 0.0071 991 HIS 66 HA 0.0142 0.0123 0.0052 992 HIS 66 CB -0.0010 0.0026 0.0045 993 HIS 66 HB1 0.0016 0.0005 0.0074 994 HIS 66 HB2 -0.0069 -0.0038 0.0061 995 HIS 66 CD2 -0.0170 0.0097 -0.0091 996 HIS 66 HD2 -0.0237 0.0033 -0.0078 997 HIS 66 CG -0.0065 0.0104 -0.0041 998 HIS 66 NE2 -0.0176 0.0191 -0.0163 999 HIS 66 HE2 -0.0241 0.0211 -0.0211 1000 HIS 66 ND1 -0.0005 0.0200 -0.0081 1001 HIS 66 HD1 0.0075 0.0228 -0.0060 1002 HIS 66 CE1 -0.0075 0.0250 -0.0154 1003 HIS 66 HE1 -0.0054 0.0329 -0.0201 1004 HIS 66 C 0.0155 -0.0013 0.0159 1005 HIS 66 O 0.0178 -0.0043 0.0192 1006 LEU 67 N 0.0182 -0.0034 0.0013 1007 LEU 67 HN 0.0193 -0.0042 0.0021 1008 LEU 67 CA 0.0176 -0.0027 0.0012 1009 LEU 67 HA 0.0167 -0.0028 -0.0004 1010 LEU 67 CB 0.0189 -0.0040 0.0016 1011 LEU 67 HB1 0.0199 -0.0040 0.0032 1012 LEU 67 HB2 0.0194 -0.0054 0.0006 1013 LEU 67 CG 0.0184 -0.0036 0.0013 1014 LEU 67 HG 0.0182 -0.0024 0.0026 1015 LEU 67 CD1 0.0169 -0.0032 -0.0007 1016 LEU 67 HD11 0.0159 -0.0018 -0.0006 1017 LEU 67 HD12 0.0169 -0.0043 -0.0020 1018 LEU 67 HD13 0.0167 -0.0031 -0.0010 1019 LEU 67 CD2 0.0197 -0.0053 0.0013 1020 LEU 67 HD21 0.0194 -0.0050 0.0011 1021 LEU 67 HD22 0.0199 -0.0066 -0.0000 1022 LEU 67 HD23 0.0208 -0.0057 0.0027 1023 LEU 67 C 0.0168 -0.0006 0.0024 1024 LEU 67 O 0.0175 -0.0001 0.0043 1025 HIS 68 N 0.0082 -0.0025 -0.0016 1026 HIS 68 HN 0.0100 -0.0006 -0.0043 1027 HIS 68 CA 0.0051 -0.0051 0.0021 1028 HIS 68 HA 0.0009 -0.0053 0.0028 1029 HIS 68 CB 0.0038 -0.0037 0.0004 1030 HIS 68 HB1 0.0080 -0.0034 -0.0004 1031 HIS 68 HB2 0.0013 -0.0009 -0.0028 1032 HIS 68 CD2 0.0006 -0.0072 0.0054 1033 HIS 68 HD2 0.0040 -0.0069 0.0045 1034 HIS 68 CG -0.0000 -0.0060 0.0039 1035 HIS 68 NE2 -0.0042 -0.0093 0.0086 1036 HIS 68 HE2 -0.0048 -0.0110 0.0108 1037 HIS 68 ND1 -0.0050 -0.0072 0.0061 1038 HIS 68 HD1 -0.0065 -0.0068 0.0056 1039 HIS 68 CE1 -0.0074 -0.0092 0.0088 1040 HIS 68 HE1 -0.0113 -0.0107 0.0112 1041 HIS 68 C 0.0083 -0.0089 0.0067 1042 HIS 68 O 0.0137 -0.0095 0.0067 1043 GLY 69 N 0.0143 -0.0124 -0.0003 1044 GLY 69 HN 0.0141 -0.0129 -0.0007 1045 GLY 69 CA 0.0146 -0.0104 0.0011 1046 GLY 69 HA1 0.0149 -0.0098 0.0015 1047 GLY 69 HA2 0.0159 -0.0099 0.0010 1048 GLY 69 C 0.0126 -0.0097 0.0024 1049 GLY 69 O 0.0127 -0.0085 0.0033 1050 ASP 70 N -0.0022 -0.0196 0.0083 1051 ASP 70 HN -0.0103 -0.0160 0.0060 1052 ASP 70 CA 0.0039 -0.0220 0.0098 1053 ASP 70 HA 0.0077 -0.0287 0.0159 1054 ASP 70 CB -0.0048 -0.0214 0.0105 1055 ASP 70 HB1 -0.0004 -0.0244 0.0129 1056 ASP 70 HB2 -0.0081 -0.0147 0.0043 1057 ASP 70 CG -0.0154 -0.0263 0.0171 1058 ASP 70 OD1 -0.0134 -0.0343 0.0248 1059 ASP 70 OD2 -0.0255 -0.0219 0.0143 1060 ASP 70 C 0.0142 -0.0166 0.0028 1061 ASP 70 O 0.0141 -0.0092 -0.0046 1062 HIS 71 N 0.0048 -0.0122 -0.0059 1063 HIS 71 HN 0.0053 -0.0143 -0.0074 1064 HIS 71 CA 0.0065 -0.0107 -0.0041 1065 HIS 71 HA 0.0062 -0.0116 -0.0050 1066 HIS 71 CB 0.0103 -0.0113 -0.0034 1067 HIS 71 HB1 0.0116 -0.0103 -0.0022 1068 HIS 71 HB2 0.0108 -0.0105 -0.0026 1069 HIS 71 CD2 0.0132 -0.0160 -0.0063 1070 HIS 71 HD2 0.0137 -0.0155 -0.0057 1071 HIS 71 CG 0.0117 -0.0143 -0.0054 1072 HIS 71 NE2 0.0139 -0.0186 -0.0081 1073 HIS 71 HE2 0.0150 -0.0203 -0.0091 1074 HIS 71 ND1 0.0115 -0.0158 -0.0066 1075 HIS 71 HD1 0.0105 -0.0150 -0.0063 1076 HIS 71 CE1 0.0128 -0.0183 -0.0082 1077 HIS 71 HE1 0.0131 -0.0201 -0.0095 1078 HIS 71 C 0.0052 -0.0076 -0.0021 1079 HIS 71 O 0.0069 -0.0059 -0.0002 1080 SER 72 N 0.0067 -0.0030 -0.0024 1081 SER 72 HN 0.0069 -0.0024 -0.0030 1082 SER 72 CA 0.0064 -0.0038 -0.0015 1083 SER 72 HA 0.0061 -0.0043 -0.0009 1084 SER 72 CB 0.0076 -0.0042 -0.0012 1085 SER 72 HB1 0.0073 -0.0049 -0.0005 1086 SER 72 HB2 0.0079 -0.0037 -0.0017 1087 SER 72 OG 0.0087 -0.0045 -0.0011 1088 SER 72 HG1 0.0092 -0.0039 -0.0017 1089 SER 72 C 0.0052 -0.0035 -0.0016 1090 SER 72 O 0.0050 -0.0041 -0.0009 1091 LEU 73 N -0.0066 0.0027 -0.0040 1092 LEU 73 HN -0.0082 0.0057 -0.0035 1093 LEU 73 CA -0.0076 0.0045 -0.0037 1094 LEU 73 HA -0.0055 0.0011 -0.0043 1095 LEU 73 CB -0.0048 0.0111 -0.0036 1096 LEU 73 HB1 -0.0048 0.0117 -0.0036 1097 LEU 73 HB2 -0.0078 0.0147 -0.0028 1098 LEU 73 CG 0.0019 0.0124 -0.0047 1099 LEU 73 HG 0.0021 0.0118 -0.0048 1100 LEU 73 CD1 0.0038 0.0192 -0.0046 1101 LEU 73 HD11 0.0086 0.0202 -0.0053 1102 LEU 73 HD12 0.0006 0.0226 -0.0037 1103 LEU 73 HD13 0.0039 0.0199 -0.0045 1104 LEU 73 CD2 0.0065 0.0078 -0.0059 1105 LEU 73 HD21 0.0054 0.0028 -0.0061 1106 LEU 73 HD22 0.0113 0.0088 -0.0067 1107 LEU 73 HD23 0.0066 0.0082 -0.0059 1108 LEU 73 C -0.0146 0.0046 -0.0024 1109 LEU 73 O -0.0182 0.0072 -0.0016 1110 PHE 74 N -0.0124 0.0007 -0.0074 1111 PHE 74 HN -0.0125 -0.0001 -0.0065 1112 PHE 74 CA -0.0151 0.0002 -0.0066 1113 PHE 74 HA -0.0147 0.0011 -0.0076 1114 PHE 74 CB -0.0151 -0.0023 -0.0038 1115 PHE 74 HB1 -0.0173 -0.0027 -0.0032 1116 PHE 74 HB2 -0.0152 -0.0032 -0.0028 1117 PHE 74 CG -0.0121 -0.0031 -0.0032 1118 PHE 74 CD1 -0.0092 -0.0039 -0.0025 1119 PHE 74 HD1 -0.0091 -0.0039 -0.0026 1120 PHE 74 CE1 -0.0065 -0.0047 -0.0019 1121 PHE 74 HE1 -0.0043 -0.0053 -0.0015 1122 PHE 74 CZ -0.0066 -0.0048 -0.0018 1123 PHE 74 HZ -0.0045 -0.0054 -0.0012 1124 PHE 74 CD2 -0.0122 -0.0032 -0.0031 1125 PHE 74 HD2 -0.0144 -0.0026 -0.0035 1126 PHE 74 CE2 -0.0095 -0.0040 -0.0024 1127 PHE 74 HE2 -0.0095 -0.0041 -0.0023 1128 PHE 74 C -0.0185 0.0009 -0.0072 1129 PHE 74 O -0.0191 0.0014 -0.0076 1130 HIS 75 N -0.0187 0.0008 -0.0010 1131 HIS 75 HN -0.0200 0.0004 -0.0008 1132 HIS 75 CA -0.0166 0.0016 -0.0001 1133 HIS 75 HA -0.0153 0.0021 -0.0006 1134 HIS 75 CB -0.0167 0.0015 0.0027 1135 HIS 75 HB1 -0.0181 0.0010 0.0032 1136 HIS 75 HB2 -0.0170 0.0014 0.0034 1137 HIS 75 CD2 -0.0126 0.0030 0.0032 1138 HIS 75 HD2 -0.0119 0.0033 0.0014 1139 HIS 75 CG -0.0146 0.0022 0.0040 1140 HIS 75 NE2 -0.0114 0.0033 0.0052 1141 HIS 75 HE2 -0.0099 0.0039 0.0052 1142 HIS 75 ND1 -0.0147 0.0021 0.0064 1143 HIS 75 HD1 -0.0160 0.0016 0.0075 1144 HIS 75 CE1 -0.0128 0.0028 0.0071 1145 HIS 75 HE1 -0.0122 0.0029 0.0089 1146 HIS 75 C -0.0162 0.0018 -0.0011 1147 HIS 75 O -0.0176 0.0013 -0.0010 1148 LEU 76 N -0.0099 -0.0059 -0.0045 1149 LEU 76 HN -0.0085 -0.0052 -0.0049 1150 LEU 76 CA -0.0083 -0.0048 -0.0061 1151 LEU 76 HA -0.0103 -0.0056 -0.0068 1152 LEU 76 CB -0.0065 -0.0033 -0.0097 1153 LEU 76 HB1 -0.0055 -0.0026 -0.0110 1154 LEU 76 HB2 -0.0042 -0.0024 -0.0089 1155 LEU 76 CG -0.0088 -0.0037 -0.0127 1156 LEU 76 HG -0.0098 -0.0044 -0.0114 1157 LEU 76 CD1 -0.0066 -0.0020 -0.0158 1158 LEU 76 HD11 -0.0053 -0.0012 -0.0171 1159 LEU 76 HD12 -0.0082 -0.0023 -0.0180 1160 LEU 76 HD13 -0.0044 -0.0013 -0.0147 1161 LEU 76 CD2 -0.0119 -0.0048 -0.0144 1162 LEU 76 HD21 -0.0135 -0.0060 -0.0121 1163 LEU 76 HD22 -0.0135 -0.0051 -0.0165 1164 LEU 76 HD23 -0.0109 -0.0040 -0.0157 1165 LEU 76 C -0.0055 -0.0042 -0.0032 1166 LEU 76 O -0.0029 -0.0032 -0.0021 1167 GLU 77 N 0.0046 0.0034 0.0019 1168 GLU 77 HN 0.0023 0.0031 0.0008 1169 GLU 77 CA 0.0088 0.0032 0.0048 1170 GLU 77 HA 0.0106 0.0031 0.0063 1171 GLU 77 CB 0.0077 0.0008 0.0084 1172 GLU 77 HB1 0.0110 0.0009 0.0103 1173 GLU 77 HB2 0.0058 0.0009 0.0070 1174 GLU 77 CG 0.0047 -0.0019 0.0112 1175 GLU 77 HG1 0.0010 -0.0024 0.0097 1176 GLU 77 HG2 0.0059 -0.0017 0.0116 1177 GLU 77 CD 0.0051 -0.0043 0.0157 1178 GLU 77 OE1 0.0034 -0.0052 0.0162 1179 GLU 77 OE2 0.0067 -0.0055 0.0189 1180 GLU 77 C 0.0118 0.0059 0.0020 1181 GLU 77 O 0.0106 0.0066 0.0000 1182 HIS 78 N 0.0184 0.0195 0.0090 1183 HIS 78 HN 0.0226 0.0247 0.0110 1184 HIS 78 CA 0.0209 0.0196 0.0045 1185 HIS 78 HA 0.0167 0.0134 0.0007 1186 HIS 78 CB 0.0300 0.0241 -0.0032 1187 HIS 78 HB1 0.0326 0.0258 -0.0046 1188 HIS 78 HB2 0.0341 0.0299 0.0001 1189 HIS 78 CD2 0.0329 0.0190 -0.0177 1190 HIS 78 HD2 0.0349 0.0227 -0.0144 1191 HIS 78 CG 0.0304 0.0189 -0.0134 1192 HIS 78 NE2 0.0328 0.0134 -0.0277 1193 HIS 78 HE2 0.0343 0.0122 -0.0326 1194 HIS 78 ND1 0.0289 0.0133 -0.0209 1195 HIS 78 HD1 0.0270 0.0119 -0.0203 1196 HIS 78 CE1 0.0304 0.0102 -0.0293 1197 HIS 78 HE1 0.0295 0.0054 -0.0363 1198 HIS 78 C 0.0205 0.0238 0.0128 1199 HIS 78 O 0.0239 0.0305 0.0193 1200 HIS 79 N -0.0166 0.0250 0.0015 1201 HIS 79 HN -0.0085 0.0343 0.0149 1202 HIS 79 CA -0.0137 0.0280 0.0058 1203 HIS 79 HA -0.0311 0.0225 -0.0051 1204 HIS 79 CB 0.0177 0.0187 0.0016 1205 HIS 79 HB1 0.0203 0.0233 0.0080 1206 HIS 79 HB2 0.0354 0.0232 0.0114 1207 HIS 79 CD2 0.0453 -0.0157 -0.0346 1208 HIS 79 HD2 0.0618 -0.0133 -0.0277 1209 HIS 79 CG 0.0237 -0.0029 -0.0238 1210 HIS 79 NE2 0.0437 -0.0335 -0.0571 1211 HIS 79 HE2 0.0565 -0.0461 -0.0697 1212 HIS 79 ND1 0.0088 -0.0120 -0.0386 1213 HIS 79 HD1 -0.0078 -0.0061 -0.0352 1214 HIS 79 CE1 0.0214 -0.0305 -0.0586 1215 HIS 79 HE1 0.0145 -0.0420 -0.0744 1216 HIS 79 C -0.0162 0.0492 0.0315 1217 HIS 79 O 0.0020 0.0585 0.0474 1218 GLY 80 N 0.0158 -0.0993 -0.0330 1219 GLY 80 HN -0.0123 -0.1489 -0.0506 1220 GLY 80 CA 0.0146 -0.0220 0.0018 1221 GLY 80 HA1 0.0822 0.0018 0.0014 1222 GLY 80 HA2 -0.0210 -0.0338 0.0023 1223 GLY 80 C -0.0341 0.0424 0.0386 1224 GLY 80 O -0.1099 0.0267 0.0439 1225 GLY 81 N 0.0033 0.0312 0.0081 1226 GLY 81 HN 0.0002 0.0302 0.0196 1227 GLY 81 CA 0.0052 0.0202 -0.0043 1228 GLY 81 HA1 0.0036 0.0169 0.0001 1229 GLY 81 HA2 0.0090 0.0264 -0.0159 1230 GLY 81 C 0.0040 0.0037 -0.0076 1231 GLY 81 O 0.0060 -0.0057 -0.0192 1232 LYS 82 N 0.0027 -0.0113 0.0008 1233 LYS 82 HN -0.0088 0.0004 0.0028 1234 LYS 82 CA 0.0070 -0.0095 -0.0004 1235 LYS 82 HA 0.0121 -0.0269 -0.0003 1236 LYS 82 CB -0.0152 -0.0012 0.0045 1237 LYS 82 HB1 -0.0116 0.0007 0.0035 1238 LYS 82 HB2 -0.0206 0.0166 0.0045 1239 LYS 82 CG -0.0352 -0.0183 0.0109 1240 LYS 82 HG1 -0.0380 -0.0216 0.0118 1241 LYS 82 HG2 -0.0303 -0.0356 0.0110 1242 LYS 82 CD -0.0582 -0.0087 0.0159 1243 LYS 82 HD1 -0.0564 -0.0069 0.0154 1244 LYS 82 HD2 -0.0613 0.0094 0.0153 1245 LYS 82 CE -0.0790 -0.0239 0.0223 1246 LYS 82 HE1 -0.0950 -0.0156 0.0257 1247 LYS 82 HE2 -0.0809 -0.0250 0.0229 1248 LYS 82 NZ -0.0766 -0.0482 0.0236 1249 LYS 82 HZ1 -0.0739 -0.0481 0.0229 1250 LYS 82 HZ2 -0.0624 -0.0578 0.0208 1251 LYS 82 HZ3 -0.0912 -0.0580 0.0281 1252 LYS 82 C 0.0265 0.0074 -0.0066 1253 LYS 82 O 0.0295 0.0258 -0.0088 1254 VAL 83 N 0.0082 -0.0017 -0.0058 1255 VAL 83 HN 0.0070 -0.0048 -0.0064 1256 VAL 83 CA 0.0084 -0.0022 -0.0080 1257 VAL 83 HA 0.0092 0.0007 -0.0060 1258 VAL 83 CB 0.0101 -0.0015 -0.0141 1259 VAL 83 HB 0.0118 0.0023 -0.0147 1260 VAL 83 CG1 0.0091 -0.0057 -0.0176 1261 VAL 83 HG11 0.0105 -0.0048 -0.0219 1262 VAL 83 HG12 0.0087 -0.0059 -0.0162 1263 VAL 83 HG13 0.0075 -0.0096 -0.0174 1264 VAL 83 CG2 0.0106 -0.0012 -0.0160 1265 VAL 83 HG21 0.0120 -0.0002 -0.0203 1266 VAL 83 HG22 0.0090 -0.0050 -0.0158 1267 VAL 83 HG23 0.0113 0.0017 -0.0133 1268 VAL 83 C 0.0060 -0.0073 -0.0066 1269 VAL 83 O 0.0044 -0.0114 -0.0069 1270 SER 84 N 0.0084 -0.0011 -0.0022 1271 SER 84 HN 0.0094 -0.0011 -0.0015 1272 SER 84 CA 0.0065 -0.0035 -0.0011 1273 SER 84 HA 0.0054 -0.0034 -0.0021 1274 SER 84 CB 0.0079 -0.0050 0.0019 1275 SER 84 HB1 0.0089 -0.0052 0.0030 1276 SER 84 HB2 0.0096 -0.0039 0.0020 1277 SER 84 OG 0.0061 -0.0072 0.0029 1278 SER 84 HG1 0.0072 -0.0079 0.0047 1279 SER 84 C 0.0043 -0.0047 -0.0015 1280 SER 84 O 0.0048 -0.0044 -0.0014 1281 ILE 85 N 0.0004 -0.0058 0.0011 1282 ILE 85 HN -0.0009 -0.0060 0.0006 1283 ILE 85 CA -0.0013 -0.0062 0.0011 1284 ILE 85 HA 0.0003 -0.0059 0.0014 1285 ILE 85 CB -0.0034 -0.0059 -0.0019 1286 ILE 85 HB -0.0052 -0.0064 -0.0020 1287 ILE 85 CG2 -0.0049 -0.0063 -0.0021 1288 ILE 85 HG21 -0.0063 -0.0061 -0.0043 1289 ILE 85 HG22 -0.0065 -0.0071 -0.0001 1290 ILE 85 HG23 -0.0031 -0.0059 -0.0019 1291 ILE 85 CG1 -0.0015 -0.0048 -0.0049 1292 ILE 85 HG11 -0.0032 -0.0047 -0.0070 1293 ILE 85 HG12 -0.0008 -0.0046 -0.0048 1294 ILE 85 CD 0.0013 -0.0040 -0.0052 1295 ILE 85 HD1 0.0027 -0.0032 -0.0072 1296 ILE 85 HD2 0.0005 -0.0041 -0.0057 1297 ILE 85 HD3 0.0029 -0.0042 -0.0031 1298 ILE 85 C -0.0034 -0.0074 0.0038 1299 ILE 85 O -0.0054 -0.0079 0.0040 1300 LYS 86 N -0.0088 0.0006 0.0096 1301 LYS 86 HN -0.0095 0.0013 0.0092 1302 LYS 86 CA -0.0088 -0.0017 0.0096 1303 LYS 86 HA -0.0084 -0.0022 0.0099 1304 LYS 86 CB -0.0075 -0.0028 0.0105 1305 LYS 86 HB1 -0.0062 -0.0020 0.0114 1306 LYS 86 HB2 -0.0074 -0.0045 0.0107 1307 LYS 86 CG -0.0081 -0.0026 0.0102 1308 LYS 86 HG1 -0.0093 -0.0035 0.0093 1309 LYS 86 HG2 -0.0083 -0.0009 0.0100 1310 LYS 86 CD -0.0066 -0.0035 0.0112 1311 LYS 86 HD1 -0.0054 -0.0025 0.0120 1312 LYS 86 HD2 -0.0062 -0.0052 0.0114 1313 LYS 86 CE -0.0070 -0.0036 0.0109 1314 LYS 86 HE1 -0.0081 -0.0048 0.0102 1315 LYS 86 HE2 -0.0074 -0.0019 0.0106 1316 LYS 86 NZ -0.0054 -0.0042 0.0120 1317 LYS 86 HZ1 -0.0045 -0.0049 0.0126 1318 LYS 86 HZ2 -0.0048 -0.0027 0.0124 1319 LYS 86 HZ3 -0.0057 -0.0050 0.0118 1320 LYS 86 C -0.0107 -0.0026 0.0084 1321 LYS 86 O -0.0119 -0.0015 0.0075 1322 GLY 87 N -0.0096 0.0037 0.0099 1323 GLY 87 HN -0.0098 0.0030 0.0108 1324 GLY 87 CA -0.0100 0.0032 0.0087 1325 GLY 87 HA1 -0.0105 0.0022 0.0082 1326 GLY 87 HA2 -0.0097 0.0041 0.0078 1327 GLY 87 C -0.0100 0.0029 0.0096 1328 GLY 87 O -0.0097 0.0033 0.0109 1329 HIS 88 N -0.0159 0.0089 0.0169 1330 HIS 88 HN -0.0135 0.0079 0.0183 1331 HIS 88 CA -0.0153 0.0116 0.0128 1332 HIS 88 HA -0.0185 0.0125 0.0116 1333 HIS 88 CB -0.0116 0.0124 0.0111 1334 HIS 88 HB1 -0.0082 0.0118 0.0119 1335 HIS 88 HB2 -0.0122 0.0117 0.0124 1336 HIS 88 CD2 -0.0084 0.0168 0.0042 1337 HIS 88 HD2 -0.0048 0.0164 0.0045 1338 HIS 88 CG -0.0118 0.0152 0.0069 1339 HIS 88 NE2 -0.0105 0.0191 0.0007 1340 HIS 88 HE2 -0.0090 0.0207 -0.0019 1341 HIS 88 ND1 -0.0159 0.0165 0.0052 1342 HIS 88 HD1 -0.0190 0.0158 0.0065 1343 HIS 88 CE1 -0.0150 0.0188 0.0015 1344 HIS 88 HE1 -0.0175 0.0204 -0.0007 1345 HIS 88 C -0.0147 0.0124 0.0114 1346 HIS 88 O -0.0130 0.0110 0.0134 1347 HIS 89 N -0.0078 0.0080 0.0121 1348 HIS 89 HN -0.0138 0.0022 0.0117 1349 HIS 89 CA -0.0007 0.0105 -0.0004 1350 HIS 89 HA -0.0031 0.0060 -0.0072 1351 HIS 89 CB 0.0103 0.0209 -0.0002 1352 HIS 89 HB1 0.0150 0.0220 -0.0102 1353 HIS 89 HB2 0.0135 0.0259 0.0062 1354 HIS 89 CD2 0.0144 0.0297 0.0150 1355 HIS 89 HD2 0.0173 0.0348 0.0224 1356 HIS 89 CG 0.0109 0.0230 0.0046 1357 HIS 89 NE2 0.0140 0.0290 0.0142 1358 HIS 89 HE2 0.0165 0.0332 0.0200 1359 HIS 89 ND1 0.0082 0.0182 -0.0025 1360 HIS 89 HD1 0.0054 0.0129 -0.0106 1361 HIS 89 CE1 0.0101 0.0219 0.0035 1362 HIS 89 HE1 0.0091 0.0199 0.0003 1363 HIS 89 C -0.0014 0.0081 -0.0059 1364 HIS 89 O 0.0046 0.0105 -0.0157 1365 HIS 90 N -0.0010 0.0041 0.0017 1366 HIS 90 HN -0.0038 0.0042 0.0043 1367 HIS 90 CA -0.0018 0.0039 0.0019 1368 HIS 90 HA -0.0058 0.0034 0.0043 1369 HIS 90 CB -0.0022 0.0009 -0.0037 1370 HIS 90 HB1 -0.0021 0.0011 -0.0035 1371 HIS 90 HB2 0.0014 0.0009 -0.0069 1372 HIS 90 CD2 -0.0094 -0.0037 -0.0070 1373 HIS 90 HD2 -0.0073 -0.0030 -0.0073 1374 HIS 90 CG -0.0076 -0.0022 -0.0055 1375 HIS 90 NE2 -0.0147 -0.0066 -0.0082 1376 HIS 90 HE2 -0.0171 -0.0082 -0.0094 1377 HIS 90 ND1 -0.0119 -0.0043 -0.0060 1378 HIS 90 HD1 -0.0116 -0.0041 -0.0058 1379 HIS 90 CE1 -0.0161 -0.0069 -0.0077 1380 HIS 90 HE1 -0.0200 -0.0090 -0.0085 1381 HIS 90 C 0.0021 0.0071 0.0050 1382 HIS 90 O 0.0025 0.0071 0.0047 1383 HIS 91 N 0.0024 0.0031 0.0101 1384 HIS 91 HN 0.0023 0.0032 0.0106 1385 HIS 91 CA 0.0051 0.0055 0.0119 1386 HIS 91 HA 0.0063 0.0053 0.0097 1387 HIS 91 CB 0.0086 0.0079 0.0128 1388 HIS 91 HB1 0.0107 0.0097 0.0140 1389 HIS 91 HB2 0.0075 0.0082 0.0151 1390 HIS 91 CD2 0.0115 0.0076 0.0078 1391 HIS 91 HD2 0.0109 0.0080 0.0097 1392 HIS 91 CG 0.0107 0.0075 0.0088 1393 HIS 91 NE2 0.0132 0.0069 0.0036 1394 HIS 91 HE2 0.0141 0.0066 0.0017 1395 HIS 91 ND1 0.0119 0.0068 0.0054 1396 HIS 91 HD1 0.0117 0.0067 0.0052 1397 HIS 91 CE1 0.0134 0.0065 0.0023 1398 HIS 91 HE1 0.0146 0.0058 -0.0010 1399 HIS 91 C 0.0034 0.0061 0.0160 1400 HIS 91 O 0.0006 0.0054 0.0184 1401 TYR 92 N 0.0063 0.0022 0.0150 1402 TYR 92 HN 0.0056 0.0027 0.0146 1403 TYR 92 CA 0.0064 0.0009 0.0145 1404 TYR 92 HA 0.0072 0.0003 0.0149 1405 TYR 92 CB 0.0057 0.0004 0.0135 1406 TYR 92 HB1 0.0057 -0.0005 0.0130 1407 TYR 92 HB2 0.0049 0.0011 0.0131 1408 TYR 92 CG 0.0059 0.0003 0.0136 1409 TYR 92 CD1 0.0056 0.0013 0.0138 1410 TYR 92 HD1 0.0052 0.0022 0.0139 1411 TYR 92 CE1 0.0058 0.0011 0.0140 1412 TYR 92 HE1 0.0056 0.0019 0.0142 1413 TYR 92 CZ 0.0063 -0.0000 0.0139 1414 TYR 92 OH 0.0066 -0.0002 0.0141 1415 TYR 92 HH 0.0070 -0.0010 0.0141 1416 TYR 92 CD2 0.0064 -0.0009 0.0135 1417 TYR 92 HD2 0.0066 -0.0017 0.0133 1418 TYR 92 CE2 0.0066 -0.0010 0.0136 1419 TYR 92 HE2 0.0070 -0.0019 0.0136 1420 TYR 92 C 0.0063 0.0007 0.0143 1421 TYR 92 O 0.0057 0.0014 0.0140 1422 ILE 93 N -0.0003 -0.0027 0.0066 1423 ILE 93 HN 0.0003 -0.0021 0.0065 1424 ILE 93 CA -0.0012 -0.0024 0.0055 1425 ILE 93 HA -0.0021 -0.0033 0.0055 1426 ILE 93 CB -0.0016 -0.0015 0.0042 1427 ILE 93 HB -0.0006 -0.0005 0.0041 1428 ILE 93 CG2 -0.0022 -0.0022 0.0044 1429 ILE 93 HG21 -0.0025 -0.0016 0.0035 1430 ILE 93 HG22 -0.0031 -0.0032 0.0045 1431 ILE 93 HG23 -0.0014 -0.0024 0.0052 1432 ILE 93 CG1 -0.0026 -0.0011 0.0029 1433 ILE 93 HG11 -0.0036 -0.0020 0.0029 1434 ILE 93 HG12 -0.0022 -0.0008 0.0029 1435 ILE 93 CD -0.0028 -0.0000 0.0016 1436 ILE 93 HD1 -0.0018 0.0009 0.0016 1437 ILE 93 HD2 -0.0035 0.0002 0.0007 1438 ILE 93 HD3 -0.0032 -0.0003 0.0016 1439 ILE 93 C -0.0005 -0.0017 0.0054 1440 ILE 93 O 0.0007 -0.0007 0.0054 1441 SER 94 N 0.0012 0.0009 0.0060 1442 SER 94 HN -0.0001 0.0009 0.0063 1443 SER 94 CA 0.0016 0.0014 0.0050 1444 SER 94 HA 0.0030 0.0014 0.0047 1445 SER 94 CB 0.0011 0.0010 0.0058 1446 SER 94 HB1 -0.0003 0.0012 0.0059 1447 SER 94 HB2 0.0015 0.0003 0.0069 1448 SER 94 OG 0.0019 0.0013 0.0051 1449 SER 94 HG1 0.0013 0.0020 0.0042 1450 SER 94 C 0.0008 0.0025 0.0035 1451 SER 94 O -0.0008 0.0027 0.0035 1452 ALA 95 N -0.0036 0.0000 0.0016 1453 ALA 95 HN -0.0022 -0.0007 0.0012 1454 ALA 95 CA -0.0044 0.0010 -0.0003 1455 ALA 95 HA -0.0058 0.0016 0.0004 1456 ALA 95 CB -0.0027 0.0003 -0.0017 1457 ALA 95 HB1 -0.0014 -0.0004 -0.0025 1458 ALA 95 HB2 -0.0034 0.0010 -0.0032 1459 ALA 95 HB3 -0.0021 -0.0004 -0.0005 1460 ALA 95 C -0.0052 0.0018 -0.0020 1461 ALA 95 O -0.0041 0.0013 -0.0027 1462 ASP 96 N -0.0108 0.0024 -0.0050 1463 ASP 96 HN -0.0107 0.0025 -0.0048 1464 ASP 96 CA -0.0125 0.0021 -0.0060 1465 ASP 96 HA -0.0130 0.0025 -0.0054 1466 ASP 96 CB -0.0141 0.0025 -0.0058 1467 ASP 96 HB1 -0.0155 0.0023 -0.0066 1468 ASP 96 HB2 -0.0137 0.0021 -0.0063 1469 ASP 96 CG -0.0146 0.0036 -0.0040 1470 ASP 96 OD1 -0.0157 0.0039 -0.0037 1471 ASP 96 OD2 -0.0140 0.0041 -0.0028 1472 ASP 96 C -0.0121 0.0010 -0.0078 1473 ASP 96 O -0.0105 0.0004 -0.0083 1474 HIS 97 N -0.0134 0.0021 0.0005 1475 HIS 97 HN -0.0167 0.0026 0.0026 1476 HIS 97 CA -0.0129 -0.0009 -0.0040 1477 HIS 97 HA -0.0091 -0.0002 -0.0045 1478 HIS 97 CB -0.0175 -0.0025 -0.0044 1479 HIS 97 HB1 -0.0169 -0.0047 -0.0078 1480 HIS 97 HB2 -0.0214 -0.0033 -0.0040 1481 HIS 97 CD2 -0.0152 0.0006 -0.0009 1482 HIS 97 HD2 -0.0120 -0.0002 -0.0034 1483 HIS 97 CG -0.0179 -0.0002 -0.0009 1484 HIS 97 NE2 -0.0172 0.0028 0.0031 1485 HIS 97 HE2 -0.0156 0.0042 0.0045 1486 HIS 97 ND1 -0.0217 0.0014 0.0030 1487 HIS 97 HD1 -0.0243 0.0012 0.0038 1488 HIS 97 CE1 -0.0211 0.0032 0.0053 1489 HIS 97 HE1 -0.0234 0.0048 0.0086 1490 HIS 97 C -0.0126 -0.0035 -0.0079 1491 HIS 97 O -0.0105 -0.0056 -0.0117 1492 HIS 98 N -0.0164 0.0016 0.0017 1493 HIS 98 HN -0.0151 0.0014 -0.0017 1494 HIS 98 CA -0.0114 -0.0036 -0.0001 1495 HIS 98 HA -0.0137 -0.0007 -0.0006 1496 HIS 98 CB -0.0080 -0.0107 0.0077 1497 HIS 98 HB1 -0.0057 -0.0135 0.0084 1498 HIS 98 HB2 -0.0116 -0.0090 0.0144 1499 HIS 98 CD2 0.0035 -0.0235 0.0059 1500 HIS 98 HD2 0.0064 -0.0272 0.0067 1501 HIS 98 CG -0.0028 -0.0161 0.0062 1502 HIS 98 NE2 0.0059 -0.0256 0.0042 1503 HIS 98 HE2 0.0104 -0.0307 0.0038 1504 HIS 98 ND1 -0.0044 -0.0136 0.0046 1505 HIS 98 HD1 -0.0088 -0.0084 0.0044 1506 HIS 98 CE1 0.0009 -0.0195 0.0036 1507 HIS 98 HE1 0.0012 -0.0194 0.0024 1508 HIS 98 C -0.0065 -0.0058 -0.0093 1509 HIS 98 O -0.0056 -0.0055 -0.0127 1510 GLY 99 N -0.0080 -0.0037 -0.0028 1511 GLY 99 HN -0.0079 -0.0042 -0.0027 1512 GLY 99 CA -0.0072 -0.0033 -0.0031 1513 GLY 99 HA1 -0.0073 -0.0031 -0.0031 1514 GLY 99 HA2 -0.0067 -0.0038 -0.0032 1515 GLY 99 C -0.0069 -0.0025 -0.0034 1516 GLY 99 O -0.0072 -0.0022 -0.0034 1517 HIS 100 N -0.0082 -0.0013 -0.0003 1518 HIS 100 HN -0.0070 -0.0002 -0.0002 1519 HIS 100 CA -0.0080 -0.0007 -0.0007 1520 HIS 100 HA -0.0078 -0.0021 0.0006 1521 HIS 100 CB -0.0059 0.0016 -0.0008 1522 HIS 100 HB1 -0.0057 0.0021 -0.0010 1523 HIS 100 HB2 -0.0061 0.0030 -0.0021 1524 HIS 100 CD2 -0.0027 -0.0001 0.0032 1525 HIS 100 HD2 -0.0035 -0.0016 0.0039 1526 HIS 100 CG -0.0037 0.0015 0.0012 1527 HIS 100 NE2 -0.0006 0.0008 0.0043 1528 HIS 100 HE2 0.0006 0.0001 0.0059 1529 HIS 100 ND1 -0.0021 0.0032 0.0010 1530 HIS 100 HD1 -0.0023 0.0046 -0.0003 1531 HIS 100 CE1 -0.0003 0.0027 0.0029 1532 HIS 100 HE1 0.0013 0.0039 0.0034 1533 HIS 100 C -0.0100 -0.0003 -0.0027 1534 HIS 100 O -0.0109 0.0010 -0.0044 1535 VAL 101 N -0.0079 0.0009 -0.0006 1536 VAL 101 HN -0.0075 0.0006 -0.0003 1537 VAL 101 CA -0.0078 0.0008 -0.0006 1538 VAL 101 HA -0.0082 0.0007 -0.0011 1539 VAL 101 CB -0.0073 0.0001 -0.0003 1540 VAL 101 HB -0.0070 0.0002 0.0001 1541 VAL 101 CG1 -0.0072 0.0001 -0.0002 1542 VAL 101 HG11 -0.0072 0.0006 0.0001 1543 VAL 101 HG12 -0.0076 0.0000 -0.0007 1544 VAL 101 HG13 -0.0069 -0.0004 -0.0000 1545 VAL 101 CG2 -0.0074 -0.0006 -0.0008 1546 VAL 101 HG21 -0.0078 -0.0007 -0.0013 1547 VAL 101 HG22 -0.0075 -0.0006 -0.0009 1548 VAL 101 HG23 -0.0071 -0.0011 -0.0006 1549 VAL 101 C -0.0078 0.0016 -0.0002 1550 VAL 101 O -0.0076 0.0020 0.0002 1551 SER 102 N -0.0045 0.0037 -0.0013 1552 SER 102 HN -0.0045 0.0032 -0.0019 1553 SER 102 CA -0.0047 0.0045 -0.0008 1554 SER 102 HA -0.0045 0.0048 -0.0000 1555 SER 102 CB -0.0054 0.0053 -0.0014 1556 SER 102 HB1 -0.0057 0.0056 -0.0016 1557 SER 102 HB2 -0.0055 0.0060 -0.0008 1558 SER 102 OG -0.0057 0.0051 -0.0023 1559 SER 102 HG1 -0.0058 0.0048 -0.0029 1560 SER 102 C -0.0043 0.0040 -0.0005 1561 SER 102 O -0.0038 0.0032 -0.0003 1562 THR 103 N 0.0008 0.0051 0.0015 1563 THR 103 HN 0.0007 0.0047 0.0017 1564 THR 103 CA 0.0013 0.0046 0.0020 1565 THR 103 HA 0.0018 0.0052 0.0019 1566 THR 103 CB 0.0005 0.0041 0.0019 1567 THR 103 HB 0.0000 0.0046 0.0014 1568 THR 103 OG1 0.0009 0.0037 0.0024 1569 THR 103 HG1 0.0004 0.0035 0.0022 1570 THR 103 CG2 -0.0003 0.0032 0.0021 1571 THR 103 HG21 -0.0009 0.0028 0.0020 1572 THR 103 HG22 -0.0007 0.0034 0.0017 1573 THR 103 HG23 0.0001 0.0026 0.0026 1574 THR 103 C 0.0018 0.0039 0.0027 1575 THR 103 O 0.0015 0.0035 0.0028 1576 LYS 104 N 0.0145 0.0055 0.0121 1577 LYS 104 HN 0.0152 0.0039 0.0124 1578 LYS 104 CA 0.0130 0.0071 0.0108 1579 LYS 104 HA 0.0130 0.0090 0.0115 1580 LYS 104 CB 0.0113 0.0067 0.0085 1581 LYS 104 HB1 0.0113 0.0070 0.0086 1582 LYS 104 HB2 0.0103 0.0081 0.0077 1583 LYS 104 CG 0.0111 0.0040 0.0071 1584 LYS 104 HG1 0.0109 0.0038 0.0068 1585 LYS 104 HG2 0.0123 0.0025 0.0081 1586 LYS 104 CD 0.0096 0.0036 0.0050 1587 LYS 104 HD1 0.0099 0.0035 0.0054 1588 LYS 104 HD2 0.0085 0.0052 0.0043 1589 LYS 104 CE 0.0092 0.0011 0.0035 1590 LYS 104 HE1 0.0089 0.0011 0.0032 1591 LYS 104 HE2 0.0103 -0.0006 0.0043 1592 LYS 104 NZ 0.0077 0.0007 0.0015 1593 LYS 104 HZ1 0.0071 -0.0004 0.0004 1594 LYS 104 HZ2 0.0067 0.0024 0.0010 1595 LYS 104 HZ3 0.0079 -0.0003 0.0013 1596 LYS 104 C 0.0132 0.0068 0.0110 1597 LYS 104 O 0.0142 0.0050 0.0116 1598 GLU 105 N 0.0386 0.0049 0.0231 1599 GLU 105 HN 0.0496 0.0031 0.0227 1600 GLU 105 CA 0.0296 0.0039 0.0117 1601 GLU 105 HA 0.0198 0.0047 0.0086 1602 GLU 105 CB 0.0386 -0.0005 -0.0027 1603 GLU 105 HB1 0.0488 -0.0014 0.0002 1604 GLU 105 HB2 0.0427 -0.0020 -0.0069 1605 GLU 105 CG 0.0292 -0.0016 -0.0153 1606 GLU 105 HG1 0.0188 -0.0006 -0.0180 1607 GLU 105 HG2 0.0257 -0.0004 -0.0121 1608 GLU 105 CD 0.0380 -0.0060 -0.0298 1609 GLU 105 OE1 0.0363 -0.0077 -0.0395 1610 GLU 105 OE2 0.0465 -0.0075 -0.0311 1611 GLU 105 C 0.0240 0.0061 0.0183 1612 GLU 105 O 0.0326 0.0063 0.0258 1613 HIS 106 N 0.0210 0.0040 0.0108 1614 HIS 106 HN 0.0191 0.0065 0.0036 1615 HIS 106 CA 0.0170 0.0101 0.0193 1616 HIS 106 HA 0.0132 0.0154 0.0151 1617 HIS 106 CB 0.0193 0.0071 0.0272 1618 HIS 106 HB1 0.0157 0.0125 0.0328 1619 HIS 106 HB2 0.0233 0.0017 0.0321 1620 HIS 106 CD2 0.0265 -0.0034 0.0208 1621 HIS 106 HD2 0.0310 -0.0096 0.0243 1622 HIS 106 CG 0.0210 0.0044 0.0216 1623 HIS 106 NE2 0.0256 -0.0024 0.0140 1624 HIS 106 HE2 0.0290 -0.0073 0.0104 1625 HIS 106 ND1 0.0166 0.0105 0.0156 1626 HIS 106 HD1 0.0122 0.0168 0.0148 1627 HIS 106 CE1 0.0196 0.0061 0.0112 1628 HIS 106 HE1 0.0176 0.0088 0.0056 1629 HIS 106 C 0.0142 0.0144 0.0254 1630 HIS 106 O 0.0171 0.0103 0.0281 1631 HIS 107 N 0.0050 0.0020 0.0131 1632 HIS 107 HN 0.0059 0.0022 0.0146 1633 HIS 107 CA 0.0068 -0.0007 0.0103 1634 HIS 107 HA 0.0074 -0.0010 0.0105 1635 HIS 107 CB 0.0101 -0.0026 0.0109 1636 HIS 107 HB1 0.0095 -0.0021 0.0111 1637 HIS 107 HB2 0.0120 -0.0024 0.0134 1638 HIS 107 CD2 0.0117 -0.0068 0.0050 1639 HIS 107 HD2 0.0104 -0.0063 0.0044 1640 HIS 107 CG 0.0119 -0.0054 0.0078 1641 HIS 107 NE2 0.0136 -0.0092 0.0029 1642 HIS 107 HE2 0.0138 -0.0106 0.0005 1643 HIS 107 ND1 0.0138 -0.0068 0.0076 1644 HIS 107 HD1 0.0143 -0.0062 0.0093 1645 HIS 107 CE1 0.0148 -0.0091 0.0046 1646 HIS 107 HE1 0.0163 -0.0107 0.0034 1647 HIS 107 C 0.0046 -0.0014 0.0064 1648 HIS 107 O 0.0026 -0.0005 0.0056 1649 ASP 108 N 0.0073 -0.0072 0.0015 1650 ASP 108 HN 0.0099 -0.0086 0.0036 1651 ASP 108 CA 0.0046 -0.0087 -0.0017 1652 ASP 108 HA 0.0023 -0.0088 -0.0040 1653 ASP 108 CB 0.0035 -0.0050 -0.0016 1654 ASP 108 HB1 0.0056 -0.0052 0.0004 1655 ASP 108 HB2 0.0030 -0.0013 -0.0008 1656 ASP 108 CG -0.0001 -0.0051 -0.0051 1657 ASP 108 OD1 -0.0015 -0.0085 -0.0077 1658 ASP 108 OD2 -0.0012 -0.0017 -0.0052 1659 ASP 108 C 0.0061 -0.0138 -0.0019 1660 ASP 108 O 0.0093 -0.0157 0.0006 1661 HIS 109 N 0.0010 -0.0148 -0.0158 1662 HIS 109 HN 0.0000 -0.0111 -0.0206 1663 HIS 109 CA 0.0000 -0.0240 -0.0068 1664 HIS 109 HA -0.0021 -0.0279 -0.0044 1665 HIS 109 CB -0.0088 -0.0296 -0.0083 1666 HIS 109 HB1 -0.0078 -0.0355 -0.0011 1667 HIS 109 HB2 -0.0084 -0.0249 -0.0130 1668 HIS 109 CD2 -0.0278 -0.0325 -0.0214 1669 HIS 109 HD2 -0.0289 -0.0280 -0.0272 1670 HIS 109 CG -0.0193 -0.0338 -0.0128 1671 HIS 109 NE2 -0.0357 -0.0380 -0.0223 1672 HIS 109 HE2 -0.0428 -0.0384 -0.0279 1673 HIS 109 ND1 -0.0220 -0.0402 -0.0082 1674 HIS 109 HD1 -0.0173 -0.0424 -0.0018 1675 HIS 109 CE1 -0.0319 -0.0424 -0.0143 1676 HIS 109 HE1 -0.0361 -0.0471 -0.0127 1677 HIS 109 C 0.0105 -0.0235 0.0016 1678 HIS 109 O 0.0119 -0.0303 0.0101 1679 ASP 110 N 0.0051 -0.0104 -0.0018 1680 ASP 110 HN 0.0046 -0.0097 -0.0021 1681 ASP 110 CA 0.0038 -0.0087 -0.0005 1682 ASP 110 HA 0.0036 -0.0084 -0.0020 1683 ASP 110 CB 0.0019 -0.0061 0.0002 1684 ASP 110 HB1 0.0010 -0.0049 0.0015 1685 ASP 110 HB2 0.0021 -0.0064 0.0016 1686 ASP 110 CG 0.0007 -0.0047 -0.0026 1687 ASP 110 OD1 0.0012 -0.0054 -0.0052 1688 ASP 110 OD2 -0.0008 -0.0027 -0.0020 1689 ASP 110 C 0.0044 -0.0094 0.0026 1690 ASP 110 O 0.0038 -0.0087 0.0036 1691 THR 111 N 0.0065 -0.0080 0.0032 1692 THR 111 HN 0.0061 -0.0081 0.0024 1693 THR 111 CA 0.0079 -0.0081 0.0051 1694 THR 111 HA 0.0082 -0.0078 0.0058 1695 THR 111 CB 0.0079 -0.0067 0.0061 1696 THR 111 HB 0.0089 -0.0066 0.0076 1697 THR 111 OG1 0.0078 -0.0072 0.0056 1698 THR 111 HG1 0.0086 -0.0084 0.0060 1699 THR 111 CG2 0.0067 -0.0045 0.0058 1700 THR 111 HG21 0.0057 -0.0045 0.0043 1701 THR 111 HG22 0.0067 -0.0034 0.0066 1702 THR 111 HG23 0.0068 -0.0040 0.0063 1703 THR 111 C 0.0089 -0.0103 0.0051 1704 THR 111 O 0.0101 -0.0106 0.0066 1705 THR 112 N 0.0089 -0.0181 -0.0015 1706 THR 112 HN 0.0082 -0.0188 -0.0013 1707 THR 112 CA 0.0081 -0.0189 -0.0013 1708 THR 112 HA 0.0092 -0.0182 -0.0014 1709 THR 112 CB 0.0055 -0.0183 -0.0016 1710 THR 112 HB 0.0042 -0.0192 -0.0014 1711 THR 112 OG1 0.0051 -0.0159 -0.0024 1712 THR 112 HG1 0.0054 -0.0154 -0.0026 1713 THR 112 CG2 0.0047 -0.0191 -0.0014 1714 THR 112 HG21 0.0060 -0.0183 -0.0016 1715 THR 112 HG22 0.0029 -0.0185 -0.0018 1716 THR 112 HG23 0.0047 -0.0210 -0.0008 1717 THR 112 C 0.0082 -0.0215 -0.0004 1718 THR 112 O 0.0075 -0.0226 -0.0001 1719 PHE 113 N 0.0045 -0.0155 -0.0045 1720 PHE 113 HN 0.0050 -0.0164 -0.0033 1721 PHE 113 CA 0.0046 -0.0156 -0.0047 1722 PHE 113 HA 0.0041 -0.0148 -0.0061 1723 PHE 113 CB 0.0044 -0.0147 -0.0025 1724 PHE 113 HB1 0.0043 -0.0146 -0.0027 1725 PHE 113 HB2 0.0049 -0.0157 -0.0010 1726 PHE 113 CG 0.0036 -0.0125 -0.0018 1727 PHE 113 CD1 0.0036 -0.0121 0.0003 1728 PHE 113 HD1 0.0042 -0.0133 0.0016 1729 PHE 113 CE1 0.0029 -0.0101 0.0009 1730 PHE 113 HE1 0.0029 -0.0097 0.0026 1731 PHE 113 CZ 0.0022 -0.0085 -0.0007 1732 PHE 113 HZ 0.0017 -0.0069 -0.0003 1733 PHE 113 CD2 0.0029 -0.0109 -0.0034 1734 PHE 113 HD2 0.0029 -0.0112 -0.0051 1735 PHE 113 CE2 0.0022 -0.0089 -0.0028 1736 PHE 113 HE2 0.0016 -0.0077 -0.0041 1737 PHE 113 C 0.0054 -0.0179 -0.0049 1738 PHE 113 O 0.0060 -0.0193 -0.0046 1739 GLU 114 N 0.0009 -0.0143 -0.0040 1740 GLU 114 HN 0.0023 -0.0160 -0.0032 1741 GLU 114 CA -0.0007 -0.0168 -0.0032 1742 GLU 114 HA -0.0008 -0.0146 -0.0041 1743 GLU 114 CB -0.0058 -0.0191 -0.0028 1744 GLU 114 HB1 -0.0070 -0.0211 -0.0021 1745 GLU 114 HB2 -0.0056 -0.0216 -0.0017 1746 GLU 114 CG -0.0099 -0.0157 -0.0046 1747 GLU 114 HG1 -0.0092 -0.0141 -0.0052 1748 GLU 114 HG2 -0.0099 -0.0130 -0.0058 1749 GLU 114 CD -0.0150 -0.0181 -0.0042 1750 GLU 114 OE1 -0.0186 -0.0155 -0.0057 1751 GLU 114 OE2 -0.0154 -0.0224 -0.0025 1752 GLU 114 C 0.0030 -0.0204 -0.0012 1753 GLU 114 O 0.0059 -0.0217 -0.0004 1754 GLU 115 N -0.0025 0.0113 -0.0098 1755 GLU 115 HN -0.0042 0.0160 -0.0092 1756 GLU 115 CA -0.0021 0.0116 -0.0127 1757 GLU 115 HA -0.0004 0.0091 -0.0178 1758 GLU 115 CB -0.0045 0.0194 -0.0145 1759 GLU 115 HB1 -0.0044 0.0199 -0.0158 1760 GLU 115 HB2 -0.0063 0.0225 -0.0095 1761 GLU 115 CG -0.0045 0.0228 -0.0210 1762 GLU 115 HG1 -0.0045 0.0224 -0.0201 1763 GLU 115 HG2 -0.0028 0.0201 -0.0261 1764 GLU 115 CD -0.0070 0.0306 -0.0223 1765 GLU 115 OE1 -0.0074 0.0321 -0.0228 1766 GLU 115 OE2 -0.0084 0.0350 -0.0232 1767 GLU 115 C -0.0016 0.0080 -0.0081 1768 GLU 115 O -0.0024 0.0071 -0.0013 1769 ILE 116 N 0.0056 0.0082 -0.0070 1770 ILE 116 HN 0.0063 0.0085 -0.0072 1771 ILE 116 CA 0.0056 0.0071 -0.0064 1772 ILE 116 HA 0.0049 0.0069 -0.0061 1773 ILE 116 CB 0.0068 0.0066 -0.0063 1774 ILE 116 HB 0.0076 0.0069 -0.0066 1775 ILE 116 CG2 0.0067 0.0071 -0.0066 1776 ILE 116 HG21 0.0065 0.0080 -0.0070 1777 ILE 116 HG22 0.0075 0.0069 -0.0066 1778 ILE 116 HG23 0.0059 0.0067 -0.0063 1779 ILE 116 CG1 0.0070 0.0054 -0.0057 1780 ILE 116 HG11 0.0062 0.0050 -0.0054 1781 ILE 116 HG12 0.0070 0.0051 -0.0055 1782 ILE 116 CD 0.0081 0.0049 -0.0057 1783 ILE 116 HD1 0.0089 0.0053 -0.0060 1784 ILE 116 HD2 0.0082 0.0041 -0.0052 1785 ILE 116 HD3 0.0081 0.0052 -0.0058 1786 ILE 116 C 0.0056 0.0066 -0.0061 1787 ILE 116 O 0.0062 0.0069 -0.0064 1788 ILE 117 N -0.0029 -0.0124 -0.0091 1789 ILE 117 HN -0.0279 -0.0267 0.0012 1790 ILE 117 CA 0.0152 -0.0098 -0.0198 1791 ILE 117 HA 0.0359 0.0159 -0.0228 1792 ILE 117 CB -0.0092 -0.0059 -0.0024 1793 ILE 117 HB -0.0334 -0.0294 0.0037 1794 ILE 117 CG2 0.0083 -0.0109 -0.0157 1795 ILE 117 HG21 -0.0095 -0.0061 -0.0024 1796 ILE 117 HG22 0.0134 -0.0405 -0.0310 1797 ILE 117 HG23 0.0335 0.0104 -0.0234 1798 ILE 117 CG1 -0.0205 0.0342 0.0210 1799 ILE 117 HG11 0.0009 0.0563 0.0160 1800 ILE 117 HG12 -0.0240 0.0433 0.0269 1801 ILE 117 CD -0.0552 0.0340 0.0433 1802 ILE 117 HD1 -0.0531 0.0271 0.0392 1803 ILE 117 HD2 -0.0769 0.0125 0.0486 1804 ILE 117 HD3 -0.0620 0.0630 0.0593 1805 ILE 117 C 0.0334 -0.0441 -0.0453 1806 ILE 117 O 0.0181 -0.0772 -0.0487 1807 ILE 118 N 0.0368 -0.0178 -0.0315 1808 ILE 118 HN 0.0233 -0.0442 -0.0356 1809 ILE 118 CA 0.0082 0.0424 0.0435 1810 ILE 118 HA 0.0374 0.0332 0.0047 1811 ILE 118 CB -0.0038 -0.0075 0.0207 1812 ILE 118 HB -0.0212 -0.0345 0.0204 1813 ILE 118 CG2 -0.0191 0.0185 0.0563 1814 ILE 118 HG21 -0.0369 0.0092 0.0692 1815 ILE 118 HG22 -0.0298 0.0192 0.0685 1816 ILE 118 HG23 -0.0023 0.0464 0.0580 1817 ILE 118 CG1 0.0063 -0.0133 0.0053 1818 ILE 118 HG11 -0.0133 -0.0228 0.0201 1819 ILE 118 HG12 0.0134 -0.0358 -0.0186 1820 ILE 118 CD 0.0321 0.0198 0.0008 1821 ILE 118 HD1 0.0383 0.0130 -0.0110 1822 ILE 118 HD2 0.0257 0.0425 0.0243 1823 ILE 118 HD3 0.0525 0.0295 -0.0146 1824 ILE 118 C 0.0098 0.0056 0.0151 1825 ILE 118 OT1 -0.0052 -0.0228 0.0111 1826 ILE 118 OT2 0.0225 -0.0174 -0.0154