1 ASN 3 N -0.0022 0.0136 -0.0032 2 ASN 3 HN -0.0031 0.0137 -0.0003 3 ASN 3 CA -0.0017 0.0095 -0.0046 4 ASN 3 HA -0.0010 0.0100 -0.0068 5 ASN 3 CB -0.0027 0.0068 -0.0011 6 ASN 3 HB1 -0.0023 0.0036 -0.0021 7 ASN 3 HB2 -0.0034 0.0063 0.0014 8 ASN 3 CG -0.0033 0.0089 0.0006 9 ASN 3 OD1 -0.0028 0.0084 -0.0009 10 ASN 3 ND2 -0.0044 0.0113 0.0040 11 ASN 3 HD21 -0.0048 0.0128 0.0051 12 ASN 3 HD22 -0.0047 0.0121 0.0048 13 ASN 3 C -0.0009 0.0070 -0.0067 14 ASN 3 O -0.0009 0.0082 -0.0069 15 ARG 4 N -0.0086 0.0010 -0.0037 16 ARG 4 HN -0.0088 0.0039 -0.0004 17 ARG 4 CA -0.0073 -0.0012 -0.0062 18 ARG 4 HA -0.0081 -0.0043 -0.0099 19 ARG 4 CB -0.0113 0.0004 -0.0047 20 ARG 4 HB1 -0.0107 -0.0016 -0.0070 21 ARG 4 HB2 -0.0098 0.0033 -0.0011 22 ARG 4 CG -0.0180 0.0010 -0.0046 23 ARG 4 HG1 -0.0203 0.0021 -0.0035 24 ARG 4 HG2 -0.0188 0.0034 -0.0019 25 ARG 4 CD -0.0209 -0.0027 -0.0092 26 ARG 4 HD1 -0.0189 -0.0037 -0.0102 27 ARG 4 HD2 -0.0204 -0.0051 -0.0119 28 ARG 4 NE -0.0275 -0.0015 -0.0084 29 ARG 4 HE -0.0291 0.0009 -0.0058 30 ARG 4 CZ -0.0312 -0.0032 -0.0107 31 ARG 4 NH1 -0.0295 -0.0062 -0.0140 32 ARG 4 HH11 -0.0251 -0.0069 -0.0144 33 ARG 4 HH12 -0.0321 -0.0071 -0.0153 34 ARG 4 NH2 -0.0368 -0.0018 -0.0096 35 ARG 4 HH21 -0.0396 -0.0030 -0.0113 36 ARG 4 HH22 -0.0382 0.0005 -0.0070 37 ARG 4 C -0.0008 -0.0011 -0.0055 38 ARG 4 O 0.0014 -0.0035 -0.0081 39 ALA 5 N -0.0013 -0.0018 -0.0041 40 ALA 5 HN -0.0016 -0.0011 -0.0036 41 ALA 5 CA -0.0011 -0.0034 -0.0034 42 ALA 5 HA -0.0008 -0.0041 -0.0041 43 ALA 5 CB -0.0011 -0.0041 -0.0029 44 ALA 5 HB1 -0.0009 -0.0052 -0.0023 45 ALA 5 HB2 -0.0008 -0.0043 -0.0040 46 ALA 5 HB3 -0.0014 -0.0033 -0.0022 47 ALA 5 C -0.0015 -0.0032 -0.0019 48 ALA 5 O -0.0020 -0.0020 -0.0012 49 PHE 6 N 0.0011 0.0008 -0.0011 50 PHE 6 HN 0.0013 -0.0006 -0.0019 51 PHE 6 CA 0.0017 0.0004 0.0006 52 PHE 6 HA 0.0015 0.0020 0.0016 53 PHE 6 CB 0.0017 -0.0007 -0.0007 54 PHE 6 HB1 0.0023 -0.0015 0.0006 55 PHE 6 HB2 0.0016 -0.0021 -0.0021 56 PHE 6 CG 0.0008 0.0013 -0.0017 57 PHE 6 CD1 -0.0001 0.0021 -0.0039 58 PHE 6 HD1 -0.0001 0.0013 -0.0049 59 PHE 6 CE1 -0.0009 0.0041 -0.0048 60 PHE 6 HE1 -0.0016 0.0048 -0.0064 61 PHE 6 CZ -0.0009 0.0052 -0.0034 62 PHE 6 HZ -0.0015 0.0068 -0.0041 63 PHE 6 CD2 0.0008 0.0024 -0.0005 64 PHE 6 HD2 0.0015 0.0017 0.0012 65 PHE 6 CE2 -0.0000 0.0044 -0.0013 66 PHE 6 HE2 0.0000 0.0052 -0.0003 67 PHE 6 C 0.0028 -0.0012 0.0026 68 PHE 6 O 0.0031 -0.0028 0.0022 69 LYS 7 N 0.0062 -0.0015 -0.0007 70 LYS 7 HN 0.0054 -0.0003 -0.0008 71 LYS 7 CA 0.0046 -0.0026 -0.0000 72 LYS 7 HA 0.0056 -0.0037 -0.0001 73 LYS 7 CB 0.0028 -0.0043 0.0008 74 LYS 7 HB1 0.0039 -0.0059 0.0009 75 LYS 7 HB2 0.0016 -0.0051 0.0013 76 LYS 7 CG 0.0012 -0.0031 0.0010 77 LYS 7 HG1 0.0005 -0.0013 0.0007 78 LYS 7 HG2 0.0023 -0.0028 0.0006 79 LYS 7 CD -0.0010 -0.0046 0.0019 80 LYS 7 HD1 -0.0004 -0.0063 0.0022 81 LYS 7 HD2 -0.0019 -0.0051 0.0023 82 LYS 7 CE -0.0030 -0.0032 0.0021 83 LYS 7 HE1 -0.0047 -0.0042 0.0028 84 LYS 7 HE2 -0.0035 -0.0014 0.0018 85 LYS 7 NZ -0.0024 -0.0028 0.0018 86 LYS 7 HZ1 -0.0025 -0.0043 0.0023 87 LYS 7 HZ2 -0.0006 -0.0023 0.0013 88 LYS 7 HZ3 -0.0035 -0.0013 0.0018 89 LYS 7 C 0.0031 -0.0007 -0.0001 90 LYS 7 O 0.0027 0.0014 -0.0005 91 SER 8 N 0.0091 0.0013 -0.0006 92 SER 8 HN 0.0089 -0.0004 -0.0011 93 SER 8 CA 0.0070 0.0035 -0.0001 94 SER 8 HA 0.0070 0.0049 0.0004 95 SER 8 CB 0.0078 0.0052 0.0005 96 SER 8 HB1 0.0100 0.0061 0.0009 97 SER 8 HB2 0.0062 0.0069 0.0009 98 SER 8 OG 0.0078 0.0035 -0.0000 99 SER 8 HG1 0.0093 0.0021 -0.0004 100 SER 8 C 0.0041 0.0023 -0.0006 101 SER 8 O 0.0038 -0.0002 -0.0014 102 HIS 9 N 0.0064 0.0062 -0.0075 103 HIS 9 HN 0.0067 0.0084 -0.0068 104 HIS 9 CA 0.0032 0.0056 -0.0087 105 HIS 9 HA 0.0018 0.0074 -0.0087 106 HIS 9 CB 0.0023 0.0060 -0.0089 107 HIS 9 HB1 -0.0002 0.0056 -0.0098 108 HIS 9 HB2 0.0039 0.0044 -0.0088 109 HIS 9 CD2 0.0049 0.0107 -0.0067 110 HIS 9 HD2 0.0068 0.0095 -0.0064 111 HIS 9 CG 0.0027 0.0094 -0.0078 112 HIS 9 NE2 0.0041 0.0139 -0.0060 113 HIS 9 HE2 0.0054 0.0157 -0.0051 114 HIS 9 ND1 0.0007 0.0117 -0.0078 115 HIS 9 HD1 -0.0012 0.0114 -0.0085 116 HIS 9 CE1 0.0016 0.0144 -0.0067 117 HIS 9 HE1 0.0006 0.0168 -0.0064 118 HIS 9 C 0.0021 0.0025 -0.0100 119 HIS 9 O 0.0019 0.0020 -0.0102 120 HIS 10 N -0.0106 -0.0044 -0.0180 121 HIS 10 HN -0.0068 -0.0025 -0.0168 122 HIS 10 CA -0.0157 -0.0130 -0.0180 123 HIS 10 HA -0.0209 -0.0134 -0.0202 124 HIS 10 CB -0.0190 -0.0145 -0.0191 125 HIS 10 HB1 -0.0232 -0.0209 -0.0192 126 HIS 10 HB2 -0.0137 -0.0149 -0.0165 127 HIS 10 CD2 -0.0226 -0.0017 -0.0242 128 HIS 10 HD2 -0.0171 -0.0006 -0.0220 129 HIS 10 CG -0.0241 -0.0073 -0.0233 130 HIS 10 NE2 -0.0299 0.0025 -0.0287 131 HIS 10 HE2 -0.0309 0.0068 -0.0304 132 HIS 10 ND1 -0.0321 -0.0069 -0.0271 133 HIS 10 HD1 -0.0349 -0.0104 -0.0274 134 HIS 10 CE1 -0.0354 -0.0009 -0.0302 135 HIS 10 HE1 -0.0418 0.0010 -0.0337 136 HIS 10 C -0.0104 -0.0206 -0.0134 137 HIS 10 O -0.0133 -0.0284 -0.0126 138 GLY 11 N -0.0029 -0.0086 -0.0050 139 GLY 11 HN -0.0021 -0.0066 -0.0055 140 GLY 11 CA -0.0013 -0.0107 -0.0038 141 GLY 11 HA1 -0.0024 -0.0127 -0.0034 142 GLY 11 HA2 -0.0012 -0.0102 -0.0039 143 GLY 11 C 0.0016 -0.0108 -0.0030 144 GLY 11 O 0.0031 -0.0124 -0.0020 145 HIS 12 N 0.0034 -0.0078 -0.0053 146 HIS 12 HN 0.0020 -0.0068 -0.0057 147 HIS 12 CA 0.0057 -0.0076 -0.0049 148 HIS 12 HA 0.0063 -0.0095 -0.0045 149 HIS 12 CB 0.0054 -0.0059 -0.0051 150 HIS 12 HB1 0.0073 -0.0055 -0.0048 151 HIS 12 HB2 0.0045 -0.0041 -0.0055 152 HIS 12 CD2 0.0045 -0.0072 -0.0052 153 HIS 12 HD2 0.0060 -0.0063 -0.0050 154 HIS 12 CG 0.0040 -0.0072 -0.0053 155 HIS 12 NE2 0.0027 -0.0087 -0.0054 156 HIS 12 HE2 0.0025 -0.0091 -0.0054 157 HIS 12 ND1 0.0018 -0.0087 -0.0055 158 HIS 12 HD1 0.0010 -0.0090 -0.0057 159 HIS 12 CE1 0.0011 -0.0096 -0.0056 160 HIS 12 HE1 -0.0005 -0.0109 -0.0058 161 HIS 12 C 0.0078 -0.0063 -0.0046 162 HIS 12 O 0.0074 -0.0047 -0.0048 163 PHE 13 N 0.0052 -0.0063 -0.0044 164 PHE 13 HN 0.0058 -0.0071 -0.0039 165 PHE 13 CA 0.0059 -0.0058 -0.0048 166 PHE 13 HA 0.0050 -0.0053 -0.0051 167 PHE 13 CB 0.0067 -0.0069 -0.0042 168 PHE 13 HB1 0.0071 -0.0065 -0.0044 169 PHE 13 HB2 0.0077 -0.0073 -0.0040 170 PHE 13 CG 0.0056 -0.0079 -0.0034 171 PHE 13 CD1 0.0042 -0.0077 -0.0034 172 PHE 13 HD1 0.0040 -0.0067 -0.0040 173 PHE 13 CE1 0.0032 -0.0086 -0.0027 174 PHE 13 HE1 0.0021 -0.0084 -0.0027 175 PHE 13 CZ 0.0035 -0.0099 -0.0019 176 PHE 13 HZ 0.0027 -0.0106 -0.0013 177 PHE 13 CD2 0.0059 -0.0092 -0.0026 178 PHE 13 HD2 0.0070 -0.0094 -0.0025 179 PHE 13 CE2 0.0049 -0.0102 -0.0018 180 PHE 13 HE2 0.0051 -0.0111 -0.0012 181 PHE 13 C 0.0071 -0.0048 -0.0056 182 PHE 13 O 0.0079 -0.0049 -0.0056 183 LEU 14 N 0.0091 -0.0007 -0.0060 184 LEU 14 HN 0.0097 0.0002 -0.0059 185 LEU 14 CA 0.0095 -0.0005 -0.0062 186 LEU 14 HA 0.0085 -0.0013 -0.0057 187 LEU 14 CB 0.0100 0.0013 -0.0053 188 LEU 14 HB1 0.0102 0.0014 -0.0054 189 LEU 14 HB2 0.0109 0.0020 -0.0058 190 LEU 14 CG 0.0089 0.0019 -0.0036 191 LEU 14 HG 0.0088 0.0019 -0.0035 192 LEU 14 CD1 0.0095 0.0036 -0.0028 193 LEU 14 HD11 0.0096 0.0036 -0.0029 194 LEU 14 HD12 0.0087 0.0040 -0.0016 195 LEU 14 HD13 0.0105 0.0044 -0.0033 196 LEU 14 CD2 0.0075 0.0008 -0.0029 197 LEU 14 HD21 0.0070 -0.0004 -0.0033 198 LEU 14 HD22 0.0068 0.0013 -0.0017 199 LEU 14 HD23 0.0075 0.0006 -0.0030 200 LEU 14 C 0.0105 -0.0011 -0.0078 201 LEU 14 O 0.0115 -0.0007 -0.0086 202 SER 15 N 0.0048 -0.0032 -0.0114 203 SER 15 HN 0.0048 -0.0033 -0.0114 204 SER 15 CA 0.0051 -0.0034 -0.0115 205 SER 15 HA 0.0050 -0.0033 -0.0116 206 SER 15 CB 0.0051 -0.0038 -0.0111 207 SER 15 HB1 0.0054 -0.0040 -0.0112 208 SER 15 HB2 0.0052 -0.0040 -0.0110 209 SER 15 OG 0.0048 -0.0038 -0.0109 210 SER 15 HG1 0.0045 -0.0036 -0.0109 211 SER 15 C 0.0055 -0.0035 -0.0118 212 SER 15 O 0.0056 -0.0035 -0.0119 213 ALA 16 N 0.0003 -0.0031 -0.0125 214 ALA 16 HN -0.0002 -0.0028 -0.0122 215 ALA 16 CA -0.0001 -0.0034 -0.0125 216 ALA 16 HA 0.0005 -0.0037 -0.0129 217 ALA 16 CB -0.0011 -0.0042 -0.0126 218 ALA 16 HB1 -0.0009 -0.0048 -0.0130 219 ALA 16 HB2 -0.0017 -0.0038 -0.0122 220 ALA 16 HB3 -0.0014 -0.0045 -0.0127 221 ALA 16 C -0.0004 -0.0025 -0.0120 222 ALA 16 O -0.0008 -0.0019 -0.0115 223 GLU 17 N 0.0015 -0.0052 -0.0155 224 GLU 17 HN 0.0014 -0.0056 -0.0148 225 GLU 17 CA 0.0008 -0.0058 -0.0165 226 GLU 17 HA 0.0011 -0.0054 -0.0174 227 GLU 17 CB 0.0003 -0.0064 -0.0164 228 GLU 17 HB1 -0.0003 -0.0070 -0.0169 229 GLU 17 HB2 0.0003 -0.0067 -0.0154 230 GLU 17 CG 0.0007 -0.0059 -0.0168 231 GLU 17 HG1 0.0014 -0.0053 -0.0163 232 GLU 17 HG2 0.0008 -0.0056 -0.0178 233 GLU 17 CD 0.0001 -0.0066 -0.0166 234 GLU 17 OE1 0.0005 -0.0063 -0.0163 235 GLU 17 OE2 -0.0007 -0.0074 -0.0167 236 GLU 17 C 0.0002 -0.0066 -0.0165 237 GLU 17 O -0.0001 -0.0071 -0.0156 238 GLY 18 N -0.0024 -0.0078 -0.0184 239 GLY 18 HN -0.0017 -0.0075 -0.0198 240 GLY 18 CA -0.0033 -0.0087 -0.0184 241 GLY 18 HA1 -0.0046 -0.0098 -0.0182 242 GLY 18 HA2 -0.0030 -0.0086 -0.0200 243 GLY 18 C -0.0029 -0.0081 -0.0167 244 GLY 18 O -0.0016 -0.0069 -0.0169 245 GLU 19 N -0.0017 -0.0070 -0.0176 246 GLU 19 HN -0.0018 -0.0099 -0.0158 247 GLU 19 CA -0.0017 -0.0070 -0.0172 248 GLU 19 HA -0.0016 -0.0043 -0.0199 249 GLU 19 CB -0.0020 -0.0124 -0.0183 250 GLU 19 HB1 -0.0019 -0.0123 -0.0178 251 GLU 19 HB2 -0.0020 -0.0152 -0.0155 252 GLU 19 CG -0.0022 -0.0144 -0.0238 253 GLU 19 HG1 -0.0022 -0.0147 -0.0246 254 GLU 19 HG2 -0.0022 -0.0117 -0.0266 255 GLU 19 CD -0.0025 -0.0197 -0.0246 256 GLU 19 OE1 -0.0025 -0.0206 -0.0227 257 GLU 19 OE2 -0.0027 -0.0228 -0.0272 258 GLU 19 C -0.0015 -0.0055 -0.0118 259 GLU 19 O -0.0014 -0.0060 -0.0106 260 ALA 20 N 0.0003 -0.0053 -0.0153 261 ALA 20 HN 0.0004 -0.0052 -0.0158 262 ALA 20 CA 0.0004 -0.0050 -0.0139 263 ALA 20 HA 0.0005 -0.0047 -0.0136 264 ALA 20 CB -0.0001 -0.0062 -0.0133 265 ALA 20 HB1 -0.0001 -0.0060 -0.0123 266 ALA 20 HB2 -0.0004 -0.0068 -0.0135 267 ALA 20 HB3 -0.0002 -0.0065 -0.0136 268 ALA 20 C 0.0007 -0.0041 -0.0136 269 ALA 20 O 0.0009 -0.0037 -0.0144 270 VAL 21 N 0.0019 -0.0015 -0.0119 271 VAL 21 HN 0.0020 -0.0022 -0.0115 272 VAL 21 CA 0.0026 -0.0005 -0.0116 273 VAL 21 HA 0.0025 0.0003 -0.0121 274 VAL 21 CB 0.0030 -0.0004 -0.0112 275 VAL 21 HB 0.0033 -0.0012 -0.0107 276 VAL 21 CG1 0.0038 0.0007 -0.0109 277 VAL 21 HG11 0.0043 0.0007 -0.0104 278 VAL 21 HG12 0.0035 0.0014 -0.0115 279 VAL 21 HG13 0.0041 0.0007 -0.0107 280 VAL 21 CG2 0.0023 -0.0004 -0.0119 281 VAL 21 HG21 0.0026 -0.0003 -0.0117 282 VAL 21 HG22 0.0020 0.0003 -0.0125 283 VAL 21 HG23 0.0018 -0.0012 -0.0121 284 VAL 21 C 0.0033 -0.0007 -0.0109 285 VAL 21 O 0.0035 -0.0016 -0.0104 286 LYS 22 N 0.0069 -0.0025 -0.0118 287 LYS 22 HN 0.0073 -0.0020 -0.0125 288 LYS 22 CA 0.0062 -0.0032 -0.0108 289 LYS 22 HA 0.0058 -0.0034 -0.0099 290 LYS 22 CB 0.0057 -0.0047 -0.0116 291 LYS 22 HB1 0.0056 -0.0052 -0.0121 292 LYS 22 HB2 0.0052 -0.0053 -0.0108 293 LYS 22 CG 0.0062 -0.0045 -0.0128 294 LYS 22 HG1 0.0061 -0.0045 -0.0124 295 LYS 22 HG2 0.0068 -0.0035 -0.0133 296 LYS 22 CD 0.0061 -0.0057 -0.0142 297 LYS 22 HD1 0.0065 -0.0053 -0.0150 298 LYS 22 HD2 0.0063 -0.0057 -0.0146 299 LYS 22 CE 0.0053 -0.0072 -0.0139 300 LYS 22 HE1 0.0049 -0.0076 -0.0132 301 LYS 22 HE2 0.0051 -0.0071 -0.0133 302 LYS 22 NZ 0.0053 -0.0081 -0.0153 303 LYS 22 HZ1 0.0048 -0.0091 -0.0152 304 LYS 22 HZ2 0.0055 -0.0082 -0.0159 305 LYS 22 HZ3 0.0058 -0.0076 -0.0160 306 LYS 22 C 0.0064 -0.0024 -0.0102 307 LYS 22 O 0.0070 -0.0014 -0.0108 308 THR 23 N 0.0105 0.0002 -0.0087 309 THR 23 HN 0.0097 0.0001 -0.0083 310 THR 23 CA 0.0098 -0.0001 -0.0084 311 THR 23 HA 0.0106 0.0006 -0.0086 312 THR 23 CB 0.0082 0.0004 -0.0072 313 THR 23 HB 0.0073 -0.0004 -0.0070 314 THR 23 OG1 0.0084 0.0021 -0.0065 315 THR 23 HG1 0.0073 0.0023 -0.0058 316 THR 23 CG2 0.0076 0.0001 -0.0069 317 THR 23 HG21 0.0065 0.0006 -0.0061 318 THR 23 HG22 0.0072 -0.0012 -0.0074 319 THR 23 HG23 0.0085 0.0008 -0.0072 320 THR 23 C 0.0096 -0.0020 -0.0091 321 THR 23 O 0.0091 -0.0031 -0.0093 322 HIS 24 N 0.0077 -0.0073 -0.0079 323 HIS 24 HN 0.0074 -0.0060 -0.0080 324 HIS 24 CA 0.0078 -0.0083 -0.0077 325 HIS 24 HA 0.0079 -0.0096 -0.0074 326 HIS 24 CB 0.0084 -0.0083 -0.0094 327 HIS 24 HB1 0.0083 -0.0069 -0.0098 328 HIS 24 HB2 0.0088 -0.0088 -0.0103 329 HIS 24 CD2 0.0089 -0.0090 -0.0102 330 HIS 24 HD2 0.0090 -0.0079 -0.0111 331 HIS 24 CG 0.0086 -0.0093 -0.0094 332 HIS 24 NE2 0.0090 -0.0104 -0.0099 333 HIS 24 HE2 0.0093 -0.0106 -0.0104 334 HIS 24 ND1 0.0086 -0.0108 -0.0085 335 HIS 24 HD1 0.0084 -0.0114 -0.0078 336 HIS 24 CE1 0.0088 -0.0115 -0.0089 337 HIS 24 HE1 0.0089 -0.0127 -0.0084 338 HIS 24 C 0.0072 -0.0077 -0.0064 339 HIS 24 O 0.0068 -0.0062 -0.0062 340 HIS 25 N 0.0099 -0.0116 -0.0053 341 HIS 25 HN 0.0109 -0.0130 -0.0054 342 HIS 25 CA 0.0090 -0.0112 -0.0031 343 HIS 25 HA 0.0081 -0.0101 -0.0027 344 HIS 25 CB 0.0096 -0.0130 -0.0013 345 HIS 25 HB1 0.0098 -0.0133 -0.0011 346 HIS 25 HB2 0.0089 -0.0127 0.0003 347 HIS 25 CD2 0.0113 -0.0155 -0.0012 348 HIS 25 HD2 0.0106 -0.0150 -0.0001 349 HIS 25 CG 0.0110 -0.0147 -0.0019 350 HIS 25 NE2 0.0127 -0.0171 -0.0021 351 HIS 25 HE2 0.0133 -0.0180 -0.0019 352 HIS 25 ND1 0.0122 -0.0158 -0.0032 353 HIS 25 HD1 0.0122 -0.0156 -0.0039 354 HIS 25 CE1 0.0132 -0.0172 -0.0033 355 HIS 25 HE1 0.0143 -0.0184 -0.0042 356 HIS 25 C 0.0085 -0.0105 -0.0031 357 HIS 25 O 0.0073 -0.0095 -0.0017 358 GLY 26 N 0.0095 -0.0116 -0.0046 359 GLY 26 HN 0.0091 -0.0126 -0.0049 360 GLY 26 CA 0.0079 -0.0098 -0.0045 361 GLY 26 HA1 0.0076 -0.0100 -0.0046 362 GLY 26 HA2 0.0064 -0.0100 -0.0048 363 GLY 26 C 0.0086 -0.0075 -0.0037 364 GLY 26 O 0.0100 -0.0071 -0.0034 365 HIS 27 N 0.0078 -0.0037 -0.0045 366 HIS 27 HN 0.0069 -0.0045 -0.0047 367 HIS 27 CA 0.0080 -0.0008 -0.0045 368 HIS 27 HA 0.0082 -0.0002 -0.0045 369 HIS 27 CB 0.0104 0.0005 -0.0042 370 HIS 27 HB1 0.0103 0.0028 -0.0042 371 HIS 27 HB2 0.0103 0.0001 -0.0042 372 HIS 27 CD2 0.0150 -0.0019 -0.0036 373 HIS 27 HD2 0.0151 -0.0027 -0.0036 374 HIS 27 CG 0.0130 -0.0005 -0.0039 375 HIS 27 NE2 0.0169 -0.0024 -0.0034 376 HIS 27 HE2 0.0186 -0.0035 -0.0032 377 HIS 27 ND1 0.0137 0.0000 -0.0038 378 HIS 27 HD1 0.0126 0.0011 -0.0039 379 HIS 27 CE1 0.0160 -0.0012 -0.0035 380 HIS 27 HE1 0.0171 -0.0012 -0.0034 381 HIS 27 C 0.0053 0.0002 -0.0049 382 HIS 27 O 0.0043 -0.0008 -0.0050 383 HIS 28 N 0.0033 0.0041 -0.0018 384 HIS 28 HN 0.0037 0.0054 -0.0012 385 HIS 28 CA -0.0014 0.0059 -0.0016 386 HIS 28 HA -0.0035 0.0084 -0.0008 387 HIS 28 CB -0.0004 0.0092 -0.0000 388 HIS 28 HB1 0.0016 0.0125 0.0016 389 HIS 28 HB2 -0.0042 0.0105 0.0001 390 HIS 28 CD2 0.0078 0.0089 0.0008 391 HIS 28 HD2 0.0101 0.0119 0.0024 392 HIS 28 CG 0.0032 0.0071 -0.0005 393 HIS 28 NE2 0.0096 0.0062 -0.0001 394 HIS 28 HE2 0.0130 0.0067 0.0005 395 HIS 28 ND1 0.0020 0.0033 -0.0023 396 HIS 28 HD1 -0.0011 0.0012 -0.0035 397 HIS 28 CE1 0.0061 0.0028 -0.0020 398 HIS 28 HE1 0.0063 -0.0001 -0.0032 399 HIS 28 C -0.0057 0.0022 -0.0036 400 HIS 28 O -0.0104 0.0037 -0.0036 401 ASP 29 N -0.0022 -0.0014 -0.0033 402 ASP 29 HN 0.0005 -0.0021 -0.0035 403 ASP 29 CA -0.0046 -0.0039 -0.0050 404 ASP 29 HA -0.0061 -0.0028 -0.0045 405 ASP 29 CB -0.0022 -0.0068 -0.0066 406 ASP 29 HB1 -0.0039 -0.0087 -0.0079 407 ASP 29 HB2 -0.0004 -0.0079 -0.0071 408 ASP 29 CG 0.0005 -0.0058 -0.0057 409 ASP 29 OD1 0.0032 -0.0077 -0.0067 410 ASP 29 OD2 -0.0003 -0.0032 -0.0042 411 ASP 29 C -0.0076 -0.0049 -0.0059 412 ASP 29 O -0.0070 -0.0053 -0.0061 413 HIS 30 N -0.0094 -0.0047 -0.0049 414 HIS 30 HN -0.0067 -0.0034 -0.0030 415 HIS 30 CA -0.0151 -0.0070 -0.0066 416 HIS 30 HA -0.0182 -0.0081 -0.0066 417 HIS 30 CB -0.0177 -0.0070 -0.0023 418 HIS 30 HB1 -0.0221 -0.0088 -0.0036 419 HIS 30 HB2 -0.0147 -0.0060 -0.0025 420 HIS 30 CD2 -0.0155 -0.0039 0.0093 421 HIS 30 HD2 -0.0122 -0.0027 0.0096 422 HIS 30 CG -0.0183 -0.0059 0.0043 423 HIS 30 NE2 -0.0178 -0.0037 0.0142 424 HIS 30 HE2 -0.0165 -0.0024 0.0185 425 HIS 30 ND1 -0.0223 -0.0069 0.0060 426 HIS 30 HD1 -0.0250 -0.0084 0.0033 427 HIS 30 CE1 -0.0218 -0.0056 0.0119 428 HIS 30 HE1 -0.0243 -0.0058 0.0148 429 HIS 30 C -0.0145 -0.0081 -0.0131 430 HIS 30 O -0.0102 -0.0070 -0.0150 431 HIS 31 N -0.0080 -0.0070 -0.0035 432 HIS 31 HN -0.0082 -0.0067 -0.0033 433 HIS 31 CA -0.0074 -0.0087 -0.0043 434 HIS 31 HA -0.0063 -0.0086 -0.0045 435 HIS 31 CB -0.0066 -0.0093 -0.0047 436 HIS 31 HB1 -0.0063 -0.0106 -0.0052 437 HIS 31 HB2 -0.0076 -0.0092 -0.0044 438 HIS 31 CD2 -0.0048 -0.0069 -0.0041 439 HIS 31 HD2 -0.0057 -0.0061 -0.0036 440 HIS 31 CG -0.0050 -0.0083 -0.0046 441 HIS 31 NE2 -0.0030 -0.0066 -0.0044 442 HIS 31 HE2 -0.0024 -0.0056 -0.0041 443 HIS 31 ND1 -0.0034 -0.0089 -0.0052 444 HIS 31 HD1 -0.0032 -0.0100 -0.0056 445 HIS 31 CE1 -0.0022 -0.0079 -0.0050 446 HIS 31 HE1 -0.0008 -0.0080 -0.0053 447 HIS 31 C -0.0087 -0.0101 -0.0045 448 HIS 31 O -0.0103 -0.0100 -0.0042 449 THR 32 N -0.0063 -0.0046 -0.0062 450 THR 32 HN -0.0055 -0.0045 -0.0065 451 THR 32 CA -0.0070 -0.0054 -0.0069 452 THR 32 HA -0.0075 -0.0053 -0.0065 453 THR 32 CB -0.0060 -0.0058 -0.0079 454 THR 32 HB -0.0054 -0.0059 -0.0084 455 THR 32 OG1 -0.0051 -0.0052 -0.0075 456 THR 32 HG1 -0.0051 -0.0046 -0.0068 457 THR 32 CG2 -0.0067 -0.0066 -0.0087 458 THR 32 HG21 -0.0059 -0.0068 -0.0093 459 THR 32 HG22 -0.0073 -0.0071 -0.0091 460 THR 32 HG23 -0.0072 -0.0064 -0.0082 461 THR 32 C -0.0079 -0.0061 -0.0074 462 THR 32 O -0.0075 -0.0063 -0.0079 463 HIS 33 N -0.0098 -0.0069 -0.0060 464 HIS 33 HN -0.0093 -0.0069 -0.0057 465 HIS 33 CA -0.0110 -0.0069 -0.0066 466 HIS 33 HA -0.0115 -0.0070 -0.0067 467 HIS 33 CB -0.0119 -0.0072 -0.0058 468 HIS 33 HB1 -0.0128 -0.0072 -0.0063 469 HIS 33 HB2 -0.0114 -0.0072 -0.0057 470 HIS 33 CD2 -0.0119 -0.0076 -0.0039 471 HIS 33 HD2 -0.0114 -0.0074 -0.0043 472 HIS 33 CG -0.0122 -0.0075 -0.0045 473 HIS 33 NE2 -0.0123 -0.0079 -0.0027 474 HIS 33 HE2 -0.0122 -0.0080 -0.0020 475 HIS 33 ND1 -0.0128 -0.0077 -0.0037 476 HIS 33 HD1 -0.0132 -0.0077 -0.0038 477 HIS 33 CE1 -0.0129 -0.0080 -0.0026 478 HIS 33 HE1 -0.0133 -0.0082 -0.0017 479 HIS 33 C -0.0108 -0.0067 -0.0079 480 HIS 33 O -0.0101 -0.0065 -0.0081 481 PHE 34 N -0.0123 -0.0032 -0.0072 482 PHE 34 HN -0.0114 -0.0029 -0.0072 483 PHE 34 CA -0.0126 -0.0054 -0.0086 484 PHE 34 HA -0.0129 -0.0054 -0.0086 485 PHE 34 CB -0.0101 -0.0065 -0.0100 486 PHE 34 HB1 -0.0105 -0.0083 -0.0112 487 PHE 34 HB2 -0.0096 -0.0064 -0.0101 488 PHE 34 CG -0.0079 -0.0055 -0.0098 489 PHE 34 CD1 -0.0078 -0.0058 -0.0101 490 PHE 34 HD1 -0.0094 -0.0068 -0.0104 491 PHE 34 CE1 -0.0056 -0.0049 -0.0100 492 PHE 34 HE1 -0.0056 -0.0052 -0.0102 493 PHE 34 CZ -0.0035 -0.0037 -0.0096 494 PHE 34 HZ -0.0019 -0.0030 -0.0096 495 PHE 34 CD2 -0.0057 -0.0042 -0.0095 496 PHE 34 HD2 -0.0058 -0.0039 -0.0093 497 PHE 34 CE2 -0.0036 -0.0033 -0.0094 498 PHE 34 HE2 -0.0020 -0.0023 -0.0091 499 PHE 34 C -0.0149 -0.0068 -0.0090 500 PHE 34 O -0.0153 -0.0069 -0.0090 501 HIS 35 N -0.0176 -0.0066 -0.0080 502 HIS 35 HN -0.0171 -0.0071 -0.0083 503 HIS 35 CA -0.0182 -0.0060 -0.0087 504 HIS 35 HA -0.0187 -0.0055 -0.0082 505 HIS 35 CB -0.0181 -0.0060 -0.0092 506 HIS 35 HB1 -0.0184 -0.0056 -0.0098 507 HIS 35 HB2 -0.0175 -0.0066 -0.0095 508 HIS 35 CD2 -0.0178 -0.0064 -0.0078 509 HIS 35 HD2 -0.0172 -0.0070 -0.0077 510 HIS 35 CG -0.0182 -0.0059 -0.0084 511 HIS 35 NE2 -0.0182 -0.0061 -0.0073 512 HIS 35 HE2 -0.0180 -0.0063 -0.0067 513 HIS 35 ND1 -0.0189 -0.0052 -0.0083 514 HIS 35 HD1 -0.0193 -0.0048 -0.0086 515 HIS 35 CE1 -0.0188 -0.0054 -0.0076 516 HIS 35 HE1 -0.0192 -0.0050 -0.0073 517 HIS 35 C -0.0181 -0.0059 -0.0094 518 HIS 35 O -0.0176 -0.0064 -0.0100 519 VAL 36 N -0.0153 -0.0007 -0.0064 520 VAL 36 HN -0.0137 0.0003 -0.0070 521 VAL 36 CA -0.0150 -0.0024 -0.0042 522 VAL 36 HA -0.0163 -0.0036 -0.0035 523 VAL 36 CB -0.0122 -0.0024 -0.0029 524 VAL 36 HB -0.0109 -0.0013 -0.0037 525 VAL 36 CG1 -0.0119 -0.0042 -0.0006 526 VAL 36 HG11 -0.0122 -0.0044 -0.0005 527 VAL 36 HG12 -0.0133 -0.0054 0.0002 528 VAL 36 HG13 -0.0099 -0.0042 0.0004 529 VAL 36 CG2 -0.0115 -0.0022 -0.0029 530 VAL 36 HG21 -0.0127 -0.0034 -0.0020 531 VAL 36 HG22 -0.0116 -0.0009 -0.0045 532 VAL 36 HG23 -0.0094 -0.0021 -0.0019 533 VAL 36 C -0.0158 -0.0028 -0.0042 534 VAL 36 O -0.0148 -0.0016 -0.0052 535 GLU 37 N -0.0185 -0.0038 -0.0019 536 GLU 37 HN -0.0185 -0.0046 -0.0016 537 GLU 37 CA -0.0211 -0.0050 -0.0014 538 GLU 37 HA -0.0210 -0.0040 -0.0018 539 GLU 37 CB -0.0245 -0.0043 -0.0016 540 GLU 37 HB1 -0.0248 -0.0056 -0.0011 541 GLU 37 HB2 -0.0245 -0.0018 -0.0026 542 GLU 37 CG -0.0274 -0.0051 -0.0013 543 GLU 37 HG1 -0.0271 -0.0040 -0.0017 544 GLU 37 HG2 -0.0277 -0.0076 -0.0003 545 GLU 37 CD -0.0306 -0.0038 -0.0017 546 GLU 37 OE1 -0.0319 -0.0052 -0.0012 547 GLU 37 OE2 -0.0317 -0.0014 -0.0027 548 GLU 37 C -0.0206 -0.0084 -0.0000 549 GLU 37 O -0.0199 -0.0101 0.0006 550 ASN 38 N -0.0202 -0.0122 0.0067 551 ASN 38 HN -0.0214 -0.0116 0.0073 552 ASN 38 CA -0.0195 -0.0194 0.0096 553 ASN 38 HA -0.0161 -0.0199 0.0072 554 ASN 38 CB -0.0162 -0.0258 0.0102 555 ASN 38 HB1 -0.0110 -0.0260 0.0062 556 ASN 38 HB2 -0.0164 -0.0312 0.0130 557 ASN 38 CG -0.0192 -0.0249 0.0121 558 ASN 38 OD1 -0.0248 -0.0252 0.0166 559 ASN 38 ND2 -0.0155 -0.0238 0.0087 560 ASN 38 HD21 -0.0175 -0.0234 0.0100 561 ASN 38 HD22 -0.0109 -0.0239 0.0051 562 ASN 38 C -0.0256 -0.0205 0.0149 563 ASN 38 O -0.0310 -0.0174 0.0176 564 HIS 39 N -0.0207 -0.0203 0.0137 565 HIS 39 HN -0.0174 -0.0213 0.0140 566 HIS 39 CA -0.0251 -0.0222 0.0169 567 HIS 39 HA -0.0272 -0.0223 0.0175 568 HIS 39 CB -0.0289 -0.0202 0.0156 569 HIS 39 HB1 -0.0317 -0.0220 0.0182 570 HIS 39 HB2 -0.0266 -0.0195 0.0143 571 HIS 39 CD2 -0.0318 -0.0133 0.0086 572 HIS 39 HD2 -0.0285 -0.0121 0.0065 573 HIS 39 CG -0.0324 -0.0168 0.0126 574 HIS 39 NE2 -0.0362 -0.0113 0.0074 575 HIS 39 HE2 -0.0368 -0.0086 0.0046 576 HIS 39 ND1 -0.0371 -0.0170 0.0140 577 HIS 39 HD1 -0.0386 -0.0193 0.0169 578 HIS 39 CE1 -0.0392 -0.0136 0.0108 579 HIS 39 HE1 -0.0430 -0.0128 0.0108 580 HIS 39 C -0.0230 -0.0261 0.0207 581 HIS 39 O -0.0252 -0.0276 0.0229 582 GLY 40 N -0.0244 -0.0630 0.0459 583 GLY 40 HN -0.0184 -0.0603 0.0401 584 GLY 40 CA -0.0157 -0.0773 0.0567 585 GLY 40 HA1 -0.0260 -0.0807 0.0654 586 GLY 40 HA2 -0.0096 -0.0844 0.0610 587 GLY 40 C -0.0001 -0.0778 0.0492 588 GLY 40 O 0.0107 -0.0714 0.0370 589 GLY 41 N -0.0064 -0.0703 0.0508 590 GLY 41 HN -0.0127 -0.0716 0.0611 591 GLY 41 CA 0.0039 -0.0720 0.0380 592 GLY 41 HA1 0.0033 -0.0757 0.0427 593 GLY 41 HA2 0.0130 -0.0805 0.0339 594 GLY 41 C 0.0038 -0.0575 0.0234 595 GLY 41 O 0.0137 -0.0588 0.0109 596 LYS 42 N -0.0045 -0.0211 0.0185 597 LYS 42 HN -0.0068 -0.0205 0.0233 598 LYS 42 CA -0.0055 -0.0152 0.0130 599 LYS 42 HA -0.0025 -0.0167 0.0078 600 LYS 42 CB -0.0086 -0.0098 0.0131 601 LYS 42 HB1 -0.0100 -0.0050 0.0100 602 LYS 42 HB2 -0.0113 -0.0092 0.0187 603 LYS 42 CG -0.0063 -0.0114 0.0098 604 LYS 42 HG1 -0.0048 -0.0162 0.0127 605 LYS 42 HG2 -0.0036 -0.0123 0.0044 606 LYS 42 CD -0.0092 -0.0058 0.0090 607 LYS 42 HD1 -0.0071 -0.0068 0.0054 608 LYS 42 HD2 -0.0106 -0.0011 0.0062 609 LYS 42 CE -0.0129 -0.0043 0.0159 610 LYS 42 HE1 -0.0148 -0.0000 0.0147 611 LYS 42 HE2 -0.0150 -0.0033 0.0195 612 LYS 42 NZ -0.0111 -0.0102 0.0195 613 LYS 42 HZ1 -0.0135 -0.0091 0.0238 614 LYS 42 HZ2 -0.0088 -0.0115 0.0159 615 LYS 42 HZ3 -0.0095 -0.0142 0.0211 616 LYS 42 C -0.0070 -0.0128 0.0134 617 LYS 42 O -0.0094 -0.0130 0.0192 618 VAL 43 N -0.0103 -0.0125 0.0044 619 VAL 43 HN -0.0083 -0.0122 0.0029 620 VAL 43 CA -0.0117 -0.0097 0.0037 621 VAL 43 HA -0.0131 -0.0107 0.0052 622 VAL 43 CB -0.0090 -0.0084 0.0010 623 VAL 43 HB -0.0103 -0.0065 0.0008 624 VAL 43 CG1 -0.0064 -0.0115 0.0012 625 VAL 43 HG11 -0.0046 -0.0106 -0.0005 626 VAL 43 HG12 -0.0077 -0.0130 0.0030 627 VAL 43 HG13 -0.0049 -0.0134 0.0014 628 VAL 43 CG2 -0.0071 -0.0065 -0.0014 629 VAL 43 HG21 -0.0051 -0.0057 -0.0032 630 VAL 43 HG22 -0.0059 -0.0082 -0.0011 631 VAL 43 HG23 -0.0090 -0.0040 -0.0017 632 VAL 43 C -0.0143 -0.0066 0.0035 633 VAL 43 O -0.0144 -0.0063 0.0034 634 ALA 44 N -0.0172 -0.0034 -0.0019 635 ALA 44 HN -0.0172 -0.0039 -0.0016 636 ALA 44 CA -0.0180 -0.0014 -0.0018 637 ALA 44 HA -0.0178 -0.0010 -0.0023 638 ALA 44 CB -0.0196 -0.0012 -0.0002 639 ALA 44 HB1 -0.0198 -0.0022 0.0007 640 ALA 44 HB2 -0.0198 -0.0015 0.0003 641 ALA 44 HB3 -0.0202 0.0003 -0.0001 642 ALA 44 C -0.0176 -0.0002 -0.0030 643 ALA 44 O -0.0172 -0.0008 -0.0031 644 LEU 45 N -0.0145 0.0004 -0.0044 645 LEU 45 HN -0.0146 -0.0009 -0.0042 646 LEU 45 CA -0.0138 0.0018 -0.0043 647 LEU 45 HA -0.0135 0.0030 -0.0044 648 LEU 45 CB -0.0125 0.0013 -0.0031 649 LEU 45 HB1 -0.0121 0.0024 -0.0031 650 LEU 45 HB2 -0.0128 0.0001 -0.0031 651 LEU 45 CG -0.0112 0.0010 -0.0021 652 LEU 45 HG -0.0116 -0.0000 -0.0021 653 LEU 45 CD1 -0.0100 0.0004 -0.0010 654 LEU 45 HD11 -0.0091 0.0002 -0.0002 655 LEU 45 HD12 -0.0104 -0.0009 -0.0010 656 LEU 45 HD13 -0.0096 0.0014 -0.0009 657 LEU 45 CD2 -0.0106 0.0028 -0.0021 658 LEU 45 HD21 -0.0107 0.0040 -0.0024 659 LEU 45 HD22 -0.0112 0.0028 -0.0026 660 LEU 45 HD23 -0.0094 0.0028 -0.0012 661 LEU 45 C -0.0150 0.0021 -0.0053 662 LEU 45 O -0.0155 0.0009 -0.0054 663 LYS 46 N -0.0151 -0.0065 -0.0082 664 LYS 46 HN -0.0159 -0.0070 -0.0081 665 LYS 46 CA -0.0151 -0.0051 -0.0066 666 LYS 46 HA -0.0139 -0.0045 -0.0069 667 LYS 46 CB -0.0169 -0.0055 -0.0057 668 LYS 46 HB1 -0.0171 -0.0065 -0.0067 669 LYS 46 HB2 -0.0167 -0.0044 -0.0047 670 LYS 46 CG -0.0188 -0.0060 -0.0049 671 LYS 46 HG1 -0.0188 -0.0050 -0.0038 672 LYS 46 HG2 -0.0191 -0.0070 -0.0058 673 LYS 46 CD -0.0205 -0.0066 -0.0042 674 LYS 46 HD1 -0.0206 -0.0077 -0.0053 675 LYS 46 HD2 -0.0201 -0.0056 -0.0034 676 LYS 46 CE -0.0225 -0.0069 -0.0031 677 LYS 46 HE1 -0.0224 -0.0058 -0.0018 678 LYS 46 HE2 -0.0229 -0.0078 -0.0038 679 LYS 46 NZ -0.0240 -0.0075 -0.0026 680 LYS 46 HZ1 -0.0244 -0.0088 -0.0037 681 LYS 46 HZ2 -0.0252 -0.0074 -0.0016 682 LYS 46 HZ3 -0.0234 -0.0070 -0.0024 683 LYS 46 C -0.0149 -0.0038 -0.0054 684 LYS 46 O -0.0153 -0.0042 -0.0055 685 THR 47 N -0.0128 -0.0086 -0.0086 686 THR 47 HN -0.0118 -0.0083 -0.0088 687 THR 47 CA -0.0129 -0.0086 -0.0070 688 THR 47 HA -0.0134 -0.0088 -0.0071 689 THR 47 CB -0.0112 -0.0082 -0.0062 690 THR 47 HB -0.0114 -0.0083 -0.0051 691 THR 47 OG1 -0.0104 -0.0080 -0.0058 692 THR 47 HG1 -0.0094 -0.0078 -0.0055 693 THR 47 CG2 -0.0102 -0.0079 -0.0074 694 THR 47 HG21 -0.0100 -0.0078 -0.0085 695 THR 47 HG22 -0.0091 -0.0076 -0.0069 696 THR 47 HG23 -0.0108 -0.0080 -0.0079 697 THR 47 C -0.0138 -0.0090 -0.0058 698 THR 47 O -0.0143 -0.0091 -0.0061 699 HIS 48 N -0.0138 -0.0102 -0.0064 700 HIS 48 HN -0.0131 -0.0099 -0.0064 701 HIS 48 CA -0.0149 -0.0100 -0.0049 702 HIS 48 HA -0.0160 -0.0107 -0.0051 703 HIS 48 CB -0.0145 -0.0094 -0.0038 704 HIS 48 HB1 -0.0147 -0.0098 -0.0044 705 HIS 48 HB2 -0.0153 -0.0093 -0.0027 706 HIS 48 CD2 -0.0124 -0.0076 -0.0022 707 HIS 48 HD2 -0.0130 -0.0074 -0.0010 708 HIS 48 CG -0.0129 -0.0084 -0.0035 709 HIS 48 NE2 -0.0108 -0.0070 -0.0026 710 HIS 48 HE2 -0.0101 -0.0062 -0.0018 711 HIS 48 ND1 -0.0117 -0.0084 -0.0048 712 HIS 48 HD1 -0.0118 -0.0089 -0.0059 713 HIS 48 CE1 -0.0105 -0.0075 -0.0041 714 HIS 48 HE1 -0.0093 -0.0072 -0.0047 715 HIS 48 C -0.0147 -0.0096 -0.0040 716 HIS 48 O -0.0158 -0.0097 -0.0031 717 CYS 49 N -0.0124 -0.0120 -0.0012 718 CYS 49 HN -0.0121 -0.0115 -0.0024 719 CYS 49 CA -0.0104 -0.0114 -0.0000 720 CYS 49 HA -0.0108 -0.0121 0.0017 721 CYS 49 CB -0.0082 -0.0104 0.0005 722 CYS 49 HB1 -0.0078 -0.0096 -0.0013 723 CYS 49 HB2 -0.0088 -0.0110 0.0015 724 CYS 49 SG -0.0057 -0.0097 0.0023 725 CYS 49 HG1 -0.0060 -0.0094 0.0011 726 CYS 49 C -0.0100 -0.0106 -0.0018 727 CYS 49 O -0.0083 -0.0099 -0.0013 728 GLY 50 N -0.0111 -0.0113 -0.0004 729 GLY 50 HN -0.0115 -0.0117 -0.0010 730 GLY 50 CA -0.0115 -0.0119 -0.0013 731 GLY 50 HA1 -0.0120 -0.0120 -0.0001 732 GLY 50 HA2 -0.0124 -0.0129 -0.0023 733 GLY 50 C -0.0101 -0.0110 -0.0027 734 GLY 50 O -0.0102 -0.0111 -0.0032 735 LYS 51 N -0.0056 -0.0098 -0.0067 736 LYS 51 HN -0.0074 -0.0118 -0.0053 737 LYS 51 CA -0.0050 -0.0083 -0.0076 738 LYS 51 HA -0.0022 -0.0070 -0.0089 739 LYS 51 CB -0.0048 -0.0113 -0.0062 740 LYS 51 HB1 -0.0042 -0.0100 -0.0070 741 LYS 51 HB2 -0.0079 -0.0123 -0.0050 742 LYS 51 CG -0.0018 -0.0147 -0.0055 743 LYS 51 HG1 -0.0023 -0.0169 -0.0043 744 LYS 51 HG2 -0.0022 -0.0159 -0.0048 745 LYS 51 CD 0.0026 -0.0138 -0.0070 746 LYS 51 HD1 0.0031 -0.0115 -0.0082 747 LYS 51 HD2 0.0029 -0.0128 -0.0075 748 LYS 51 CE 0.0056 -0.0172 -0.0062 749 LYS 51 HE1 0.0047 -0.0197 -0.0049 750 LYS 51 HE2 0.0056 -0.0178 -0.0060 751 LYS 51 NZ 0.0096 -0.0166 -0.0076 752 LYS 51 HZ1 0.0117 -0.0188 -0.0071 753 LYS 51 HZ2 0.0097 -0.0164 -0.0077 754 LYS 51 HZ3 0.0105 -0.0141 -0.0089 755 LYS 51 C -0.0084 -0.0052 -0.0081 756 LYS 51 O -0.0119 -0.0057 -0.0070 757 TYR 52 N -0.0088 -0.0028 -0.0016 758 TYR 52 HN -0.0067 -0.0018 -0.0012 759 TYR 52 CA -0.0107 -0.0026 -0.0051 760 TYR 52 HA -0.0132 -0.0040 -0.0050 761 TYR 52 CB -0.0106 -0.0019 -0.0068 762 TYR 52 HB1 -0.0115 -0.0014 -0.0097 763 TYR 52 HB2 -0.0080 -0.0006 -0.0065 764 TYR 52 CG -0.0126 -0.0036 -0.0052 765 TYR 52 CD1 -0.0116 -0.0042 -0.0018 766 TYR 52 HD1 -0.0093 -0.0035 -0.0003 767 TYR 52 CE1 -0.0136 -0.0057 -0.0004 768 TYR 52 HE1 -0.0127 -0.0062 0.0023 769 TYR 52 CZ -0.0166 -0.0067 -0.0023 770 TYR 52 OH -0.0186 -0.0083 -0.0008 771 TYR 52 HH -0.0205 -0.0087 -0.0026 772 TYR 52 CD2 -0.0157 -0.0045 -0.0072 773 TYR 52 HD2 -0.0165 -0.0041 -0.0098 774 TYR 52 CE2 -0.0176 -0.0061 -0.0057 775 TYR 52 HE2 -0.0199 -0.0068 -0.0073 776 TYR 52 C -0.0095 -0.0011 -0.0075 777 TYR 52 O -0.0065 0.0006 -0.0076 778 LEU 53 N -0.0075 0.0012 -0.0076 779 LEU 53 HN -0.0074 0.0010 -0.0076 780 LEU 53 CA -0.0074 0.0014 -0.0079 781 LEU 53 HA -0.0074 0.0017 -0.0079 782 LEU 53 CB -0.0072 0.0012 -0.0083 783 LEU 53 HB1 -0.0072 0.0013 -0.0085 784 LEU 53 HB2 -0.0072 0.0009 -0.0083 785 LEU 53 CG -0.0072 0.0014 -0.0085 786 LEU 53 HG -0.0073 0.0017 -0.0085 787 LEU 53 CD1 -0.0072 0.0012 -0.0083 788 LEU 53 HD11 -0.0072 0.0013 -0.0085 789 LEU 53 HD12 -0.0073 0.0013 -0.0080 790 LEU 53 HD13 -0.0072 0.0009 -0.0083 791 LEU 53 CD2 -0.0071 0.0013 -0.0089 792 LEU 53 HD21 -0.0070 0.0014 -0.0090 793 LEU 53 HD22 -0.0070 0.0014 -0.0090 794 LEU 53 HD23 -0.0070 0.0009 -0.0089 795 LEU 53 C -0.0074 0.0014 -0.0078 796 LEU 53 O -0.0074 0.0011 -0.0076 797 SER 54 N -0.0040 0.0048 -0.0071 798 SER 54 HN -0.0039 0.0036 -0.0065 799 SER 54 CA -0.0035 0.0062 -0.0081 800 SER 54 HA -0.0040 0.0075 -0.0085 801 SER 54 CB -0.0013 0.0059 -0.0088 802 SER 54 HB1 -0.0008 0.0046 -0.0083 803 SER 54 HB2 -0.0006 0.0059 -0.0091 804 SER 54 OG -0.0008 0.0073 -0.0098 805 SER 54 HG1 -0.0009 0.0083 -0.0103 806 SER 54 C -0.0044 0.0060 -0.0076 807 SER 54 O -0.0048 0.0045 -0.0066 808 ILE 55 N -0.0031 0.0105 -0.0059 809 ILE 55 HN -0.0034 0.0109 -0.0068 810 ILE 55 CA -0.0024 0.0089 -0.0041 811 ILE 55 HA -0.0022 0.0089 -0.0032 812 ILE 55 CB -0.0020 0.0095 -0.0024 813 ILE 55 HB -0.0022 0.0091 -0.0032 814 ILE 55 CG2 -0.0019 0.0121 -0.0018 815 ILE 55 HG21 -0.0018 0.0126 -0.0012 816 ILE 55 HG22 -0.0024 0.0132 -0.0033 817 ILE 55 HG23 -0.0016 0.0126 -0.0005 818 ILE 55 CG1 -0.0012 0.0080 -0.0002 819 ILE 55 HG11 -0.0012 0.0062 -0.0006 820 ILE 55 HG12 -0.0009 0.0088 0.0010 821 ILE 55 CD -0.0009 0.0078 0.0008 822 ILE 55 HD1 -0.0012 0.0067 -0.0003 823 ILE 55 HD2 -0.0009 0.0095 0.0010 824 ILE 55 HD3 -0.0003 0.0069 0.0024 825 ILE 55 C -0.0026 0.0064 -0.0051 826 ILE 55 O -0.0021 0.0047 -0.0039 827 GLY 56 N -0.0010 0.0050 -0.0095 828 GLY 56 HN -0.0009 0.0063 -0.0104 829 GLY 56 CA 0.0023 0.0026 -0.0118 830 GLY 56 HA1 0.0032 -0.0008 -0.0105 831 GLY 56 HA2 0.0040 0.0041 -0.0146 832 GLY 56 C 0.0026 0.0025 -0.0120 833 GLY 56 O 0.0011 0.0059 -0.0125 834 ASP 57 N 0.0081 -0.0007 -0.0139 835 ASP 57 HN 0.0141 -0.0101 -0.0128 836 ASP 57 CA 0.0092 0.0028 -0.0161 837 ASP 57 HA 0.0078 0.0145 -0.0208 838 ASP 57 CB 0.0240 -0.0049 -0.0204 839 ASP 57 HB1 0.0252 -0.0026 -0.0221 840 ASP 57 HB2 0.0255 -0.0169 -0.0157 841 ASP 57 CG 0.0364 0.0000 -0.0292 842 ASP 57 OD1 0.0339 0.0111 -0.0331 843 ASP 57 OD2 0.0485 -0.0073 -0.0323 844 ASP 57 C -0.0020 -0.0027 -0.0076 845 ASP 57 O -0.0011 -0.0033 -0.0078 846 HIS 58 N -0.0023 -0.0062 -0.0059 847 HIS 58 HN 0.0004 -0.0029 -0.0076 848 HIS 58 CA -0.0062 -0.0099 -0.0025 849 HIS 58 HA -0.0086 -0.0108 0.0015 850 HIS 58 CB -0.0079 -0.0162 -0.0071 851 HIS 58 HB1 -0.0052 -0.0154 -0.0116 852 HIS 58 HB2 -0.0088 -0.0188 -0.0084 853 HIS 58 CD2 -0.0120 -0.0233 -0.0073 854 HIS 58 HD2 -0.0097 -0.0231 -0.0118 855 HIS 58 CG -0.0116 -0.0205 -0.0046 856 HIS 58 NE2 -0.0161 -0.0267 -0.0031 857 HIS 58 HE2 -0.0175 -0.0296 -0.0038 858 HIS 58 ND1 -0.0153 -0.0220 0.0013 859 HIS 58 HD1 -0.0159 -0.0207 0.0044 860 HIS 58 CE1 -0.0180 -0.0258 0.0020 861 HIS 58 HE1 -0.0212 -0.0281 0.0060 862 HIS 58 C -0.0058 -0.0068 0.0006 863 HIS 58 O -0.0023 -0.0018 -0.0004 864 LYS 59 N -0.0063 -0.0064 0.0029 865 LYS 59 HN -0.0087 -0.0093 0.0031 866 LYS 59 CA -0.0044 -0.0042 0.0053 867 LYS 59 HA -0.0025 -0.0021 0.0074 868 LYS 59 CB -0.0064 -0.0067 0.0088 869 LYS 59 HB1 -0.0049 -0.0049 0.0104 870 LYS 59 HB2 -0.0084 -0.0090 0.0066 871 LYS 59 CG -0.0079 -0.0085 0.0132 872 LYS 59 HG1 -0.0091 -0.0100 0.0157 873 LYS 59 HG2 -0.0099 -0.0108 0.0117 874 LYS 59 CD -0.0055 -0.0058 0.0162 875 LYS 59 HD1 -0.0068 -0.0074 0.0195 876 LYS 59 HD2 -0.0049 -0.0050 0.0139 877 LYS 59 CE -0.0024 -0.0021 0.0180 878 LYS 59 HE1 -0.0009 -0.0005 0.0203 879 LYS 59 HE2 -0.0009 -0.0003 0.0148 880 LYS 59 NZ -0.0030 -0.0029 0.0210 881 LYS 59 HZ1 -0.0045 -0.0048 0.0239 882 LYS 59 HZ2 -0.0040 -0.0041 0.0188 883 LYS 59 HZ3 -0.0008 -0.0004 0.0224 884 LYS 59 C -0.0025 -0.0019 0.0019 885 LYS 59 O 0.0001 0.0011 0.0033 886 GLN 60 N -0.0026 -0.0043 -0.0004 887 GLN 60 HN -0.0044 -0.0065 -0.0013 888 GLN 60 CA -0.0015 -0.0024 -0.0033 889 GLN 60 HA 0.0001 -0.0007 -0.0016 890 GLN 60 CB -0.0035 -0.0046 -0.0057 891 GLN 60 HB1 -0.0025 -0.0029 -0.0076 892 GLN 60 HB2 -0.0049 -0.0061 -0.0079 893 GLN 60 CG -0.0050 -0.0071 -0.0029 894 GLN 60 HG1 -0.0061 -0.0081 -0.0047 895 GLN 60 HG2 -0.0065 -0.0092 -0.0017 896 GLN 60 CD -0.0034 -0.0057 0.0010 897 GLN 60 OE1 -0.0034 -0.0063 0.0045 898 GLN 60 NE2 -0.0020 -0.0038 0.0005 899 GLN 60 HE21 -0.0019 -0.0031 -0.0024 900 GLN 60 HE22 -0.0011 -0.0030 0.0030 901 GLN 60 C -0.0003 -0.0003 -0.0065 902 GLN 60 O -0.0014 -0.0015 -0.0079 903 VAL 61 N -0.0003 0.0007 -0.0048 904 VAL 61 HN 0.0001 0.0013 -0.0037 905 VAL 61 CA -0.0000 0.0024 -0.0065 906 VAL 61 HA 0.0000 0.0024 -0.0063 907 VAL 61 CB 0.0008 0.0046 -0.0060 908 VAL 61 HB 0.0008 0.0046 -0.0059 909 VAL 61 CG1 0.0011 0.0064 -0.0078 910 VAL 61 HG11 0.0010 0.0064 -0.0080 911 VAL 61 HG12 0.0017 0.0081 -0.0073 912 VAL 61 HG13 0.0007 0.0061 -0.0095 913 VAL 61 CG2 0.0014 0.0053 -0.0037 914 VAL 61 HG21 0.0020 0.0069 -0.0033 915 VAL 61 HG22 0.0014 0.0052 -0.0037 916 VAL 61 HG23 0.0013 0.0041 -0.0023 917 VAL 61 C -0.0006 0.0019 -0.0089 918 VAL 61 O -0.0009 0.0013 -0.0096 919 TYR 62 N -0.0028 0.0001 -0.0088 920 TYR 62 HN -0.0026 0.0018 -0.0085 921 TYR 62 CA -0.0012 -0.0009 -0.0104 922 TYR 62 HA -0.0016 -0.0028 -0.0106 923 TYR 62 CB -0.0004 0.0000 -0.0108 924 TYR 62 HB1 0.0004 0.0018 -0.0110 925 TYR 62 HB2 -0.0015 0.0000 -0.0099 926 TYR 62 CG 0.0008 -0.0016 -0.0123 927 TYR 62 CD1 0.0028 -0.0010 -0.0137 928 TYR 62 HD1 0.0035 0.0005 -0.0138 929 TYR 62 CE1 0.0039 -0.0026 -0.0150 930 TYR 62 HE1 0.0054 -0.0022 -0.0162 931 TYR 62 CZ 0.0030 -0.0047 -0.0149 932 TYR 62 OH 0.0041 -0.0062 -0.0163 933 TYR 62 HH 0.0034 -0.0078 -0.0161 934 TYR 62 CD2 0.0000 -0.0037 -0.0122 935 TYR 62 HD2 -0.0015 -0.0041 -0.0110 936 TYR 62 CE2 0.0011 -0.0052 -0.0135 937 TYR 62 HE2 0.0004 -0.0068 -0.0134 938 TYR 62 C 0.0002 -0.0005 -0.0114 939 TYR 62 O 0.0004 0.0013 -0.0111 940 LEU 63 N -0.0020 -0.0012 -0.0129 941 LEU 63 HN -0.0016 -0.0014 -0.0128 942 LEU 63 CA -0.0017 -0.0019 -0.0126 943 LEU 63 HA -0.0022 -0.0015 -0.0128 944 LEU 63 CB -0.0020 -0.0032 -0.0121 945 LEU 63 HB1 -0.0013 -0.0037 -0.0119 946 LEU 63 HB2 -0.0029 -0.0033 -0.0121 947 LEU 63 CG -0.0022 -0.0039 -0.0119 948 LEU 63 HG -0.0014 -0.0036 -0.0119 949 LEU 63 CD1 -0.0035 -0.0035 -0.0121 950 LEU 63 HD11 -0.0043 -0.0038 -0.0120 951 LEU 63 HD12 -0.0036 -0.0040 -0.0119 952 LEU 63 HD13 -0.0035 -0.0026 -0.0124 953 LEU 63 CD2 -0.0021 -0.0053 -0.0114 954 LEU 63 HD21 -0.0023 -0.0058 -0.0112 955 LEU 63 HD22 -0.0029 -0.0056 -0.0113 956 LEU 63 HD23 -0.0012 -0.0055 -0.0112 957 LEU 63 C -0.0002 -0.0016 -0.0126 958 LEU 63 O 0.0005 -0.0019 -0.0125 959 SER 64 N -0.0003 -0.0012 -0.0103 960 SER 64 HN -0.0014 -0.0017 -0.0108 961 SER 64 CA 0.0023 0.0002 -0.0091 962 SER 64 HA 0.0030 0.0013 -0.0089 963 SER 64 CB 0.0022 0.0024 -0.0096 964 SER 64 HB1 0.0012 0.0014 -0.0099 965 SER 64 HB2 0.0010 0.0041 -0.0106 966 SER 64 OG 0.0047 0.0038 -0.0085 967 SER 64 HG1 0.0054 0.0026 -0.0078 968 SER 64 C 0.0042 -0.0020 -0.0077 969 SER 64 O 0.0035 -0.0043 -0.0076 970 HIS 65 N 0.0052 0.0007 -0.0065 971 HIS 65 HN 0.0054 0.0054 -0.0059 972 HIS 65 CA 0.0103 -0.0033 -0.0031 973 HIS 65 HA 0.0095 -0.0085 -0.0042 974 HIS 65 CB 0.0138 -0.0027 -0.0004 975 HIS 65 HB1 0.0149 0.0026 0.0009 976 HIS 65 HB2 0.0115 -0.0041 -0.0022 977 HIS 65 CD2 0.0241 -0.0053 0.0071 978 HIS 65 HD2 0.0257 -0.0004 0.0088 979 HIS 65 CG 0.0189 -0.0070 0.0031 980 HIS 65 NE2 0.0272 -0.0112 0.0089 981 HIS 65 HE2 0.0312 -0.0117 0.0118 982 HIS 65 ND1 0.0187 -0.0140 0.0023 983 HIS 65 HD1 0.0155 -0.0166 -0.0004 984 HIS 65 CE1 0.0238 -0.0163 0.0058 985 HIS 65 HE1 0.0252 -0.0215 0.0064 986 HIS 65 C 0.0133 -0.0012 -0.0006 987 HIS 65 O 0.0149 0.0045 0.0011 988 HIS 66 N 0.0090 -0.0049 0.0002 989 HIS 66 HN 0.0072 -0.0118 0.0002 990 HIS 66 CA 0.0099 -0.0018 0.0003 991 HIS 66 HA 0.0082 -0.0083 0.0003 992 HIS 66 CB 0.0191 0.0014 0.0050 993 HIS 66 HB1 0.0195 0.0031 0.0050 994 HIS 66 HB2 0.0213 0.0079 0.0053 995 HIS 66 CD2 0.0333 -0.0053 0.0142 996 HIS 66 HD2 0.0374 0.0011 0.0156 997 HIS 66 CG 0.0251 -0.0062 0.0096 998 HIS 66 NE2 0.0359 -0.0145 0.0171 999 HIS 66 HE2 0.0417 -0.0163 0.0207 1000 HIS 66 ND1 0.0224 -0.0156 0.0096 1001 HIS 66 HD1 0.0167 -0.0184 0.0067 1002 HIS 66 CE1 0.0291 -0.0204 0.0141 1003 HIS 66 HE1 0.0292 -0.0282 0.0153 1004 HIS 66 C 0.0035 0.0051 -0.0044 1005 HIS 66 O -0.0015 0.0082 -0.0078 1006 LEU 67 N -0.0027 0.0002 0.0044 1007 LEU 67 HN -0.0032 -0.0005 0.0051 1008 LEU 67 CA -0.0049 0.0023 0.0007 1009 LEU 67 HA -0.0063 0.0016 0.0010 1010 LEU 67 CB -0.0089 0.0023 -0.0009 1011 LEU 67 HB1 -0.0076 0.0029 -0.0012 1012 LEU 67 HB2 -0.0110 -0.0000 0.0013 1013 LEU 67 CG -0.0118 0.0041 -0.0046 1014 LEU 67 HG -0.0100 0.0064 -0.0069 1015 LEU 67 CD1 -0.0130 0.0039 -0.0047 1016 LEU 67 HD11 -0.0100 0.0049 -0.0048 1017 LEU 67 HD12 -0.0144 0.0016 -0.0022 1018 LEU 67 HD13 -0.0155 0.0050 -0.0072 1019 LEU 67 CD2 -0.0162 0.0033 -0.0052 1020 LEU 67 HD21 -0.0183 0.0047 -0.0079 1021 LEU 67 HD22 -0.0182 0.0010 -0.0029 1022 LEU 67 HD23 -0.0156 0.0035 -0.0052 1023 LEU 67 C -0.0016 0.0053 -0.0020 1024 LEU 67 O 0.0003 0.0068 -0.0033 1025 HIS 68 N 0.0038 0.0077 -0.0082 1026 HIS 68 HN 0.0019 0.0057 -0.0039 1027 HIS 68 CA 0.0088 0.0103 -0.0139 1028 HIS 68 HA 0.0141 0.0104 -0.0151 1029 HIS 68 CB 0.0122 0.0086 -0.0113 1030 HIS 68 HB1 0.0071 0.0084 -0.0100 1031 HIS 68 HB2 0.0156 0.0056 -0.0063 1032 HIS 68 CD2 0.0188 0.0120 -0.0191 1033 HIS 68 HD2 0.0150 0.0116 -0.0176 1034 HIS 68 CG 0.0183 0.0108 -0.0167 1035 HIS 68 NE2 0.0255 0.0139 -0.0241 1036 HIS 68 HE2 0.0272 0.0156 -0.0275 1037 HIS 68 ND1 0.0244 0.0120 -0.0202 1038 HIS 68 HD1 0.0254 0.0116 -0.0195 1039 HIS 68 CE1 0.0286 0.0139 -0.0245 1040 HIS 68 HE1 0.0338 0.0153 -0.0282 1041 HIS 68 C 0.0044 0.0144 -0.0211 1042 HIS 68 O -0.0031 0.0152 -0.0211 1043 GLY 69 N 0.0120 0.0149 -0.0217 1044 GLY 69 HN 0.0155 0.0133 -0.0222 1045 GLY 69 CA 0.0102 0.0178 -0.0256 1046 GLY 69 HA1 0.0129 0.0180 -0.0287 1047 GLY 69 HA2 0.0071 0.0195 -0.0258 1048 GLY 69 C 0.0087 0.0184 -0.0252 1049 GLY 69 O 0.0050 0.0208 -0.0261 1050 ASP 70 N 0.0147 0.0234 -0.0357 1051 ASP 70 HN 0.0239 0.0187 -0.0334 1052 ASP 70 CA 0.0110 0.0245 -0.0352 1053 ASP 70 HA 0.0063 0.0311 -0.0434 1054 ASP 70 CB 0.0236 0.0203 -0.0359 1055 ASP 70 HB1 0.0211 0.0221 -0.0374 1056 ASP 70 HB2 0.0281 0.0136 -0.0273 1057 ASP 70 CG 0.0341 0.0230 -0.0471 1058 ASP 70 OD1 0.0313 0.0304 -0.0579 1059 ASP 70 OD2 0.0449 0.0178 -0.0449 1060 ASP 70 C 0.0007 0.0214 -0.0235 1061 ASP 70 O 0.0001 0.0159 -0.0137 1062 HIS 71 N 0.0027 0.0208 -0.0124 1063 HIS 71 HN 0.0026 0.0231 -0.0127 1064 HIS 71 CA -0.0011 0.0200 -0.0094 1065 HIS 71 HA -0.0027 0.0235 -0.0089 1066 HIS 71 CB -0.0033 0.0173 -0.0071 1067 HIS 71 HB1 -0.0063 0.0170 -0.0048 1068 HIS 71 HB2 -0.0018 0.0137 -0.0075 1069 HIS 71 CD2 -0.0023 0.0186 -0.0082 1070 HIS 71 HD2 -0.0006 0.0153 -0.0087 1071 HIS 71 CG -0.0037 0.0200 -0.0074 1072 HIS 71 NE2 -0.0034 0.0224 -0.0081 1073 HIS 71 HE2 -0.0027 0.0226 -0.0086 1074 HIS 71 ND1 -0.0057 0.0246 -0.0068 1075 HIS 71 HD1 -0.0070 0.0264 -0.0062 1076 HIS 71 CE1 -0.0054 0.0259 -0.0073 1077 HIS 71 HE1 -0.0067 0.0294 -0.0070 1078 HIS 71 C -0.0012 0.0177 -0.0088 1079 HIS 71 O -0.0025 0.0138 -0.0070 1080 SER 72 N -0.0121 0.0123 -0.0078 1081 SER 72 HN -0.0117 0.0137 -0.0091 1082 SER 72 CA -0.0128 0.0099 -0.0058 1083 SER 72 HA -0.0137 0.0086 -0.0047 1084 SER 72 CB -0.0097 0.0089 -0.0048 1085 SER 72 HB1 -0.0103 0.0070 -0.0032 1086 SER 72 HB2 -0.0088 0.0100 -0.0058 1087 SER 72 OG -0.0071 0.0086 -0.0045 1088 SER 72 HG1 -0.0061 0.0103 -0.0059 1089 SER 72 C -0.0154 0.0101 -0.0060 1090 SER 72 O -0.0159 0.0084 -0.0045 1091 LEU 73 N -0.0165 0.0070 0.0016 1092 LEU 73 HN -0.0167 0.0062 0.0022 1093 LEU 73 CA -0.0136 0.0044 0.0013 1094 LEU 73 HA -0.0138 0.0055 0.0007 1095 LEU 73 CB -0.0140 0.0004 0.0041 1096 LEU 73 HB1 -0.0121 -0.0012 0.0039 1097 LEU 73 HB2 -0.0131 -0.0010 0.0045 1098 LEU 73 CG -0.0179 0.0001 0.0070 1099 LEU 73 HG -0.0198 0.0017 0.0073 1100 LEU 73 CD1 -0.0178 -0.0040 0.0096 1101 LEU 73 HD11 -0.0206 -0.0042 0.0117 1102 LEU 73 HD12 -0.0168 -0.0052 0.0098 1103 LEU 73 HD13 -0.0160 -0.0057 0.0095 1104 LEU 73 CD2 -0.0193 0.0018 0.0069 1105 LEU 73 HD21 -0.0195 0.0049 0.0050 1106 LEU 73 HD22 -0.0222 0.0016 0.0090 1107 LEU 73 HD23 -0.0175 0.0003 0.0066 1108 LEU 73 C -0.0098 0.0041 -0.0012 1109 LEU 73 O -0.0092 0.0037 -0.0013 1110 PHE 74 N -0.0103 -0.0004 0.0016 1111 PHE 74 HN -0.0115 0.0008 0.0015 1112 PHE 74 CA -0.0068 0.0003 0.0013 1113 PHE 74 HA -0.0057 -0.0010 0.0014 1114 PHE 74 CB -0.0062 0.0040 0.0006 1115 PHE 74 HB1 -0.0035 0.0046 0.0003 1116 PHE 74 HB2 -0.0075 0.0054 0.0005 1117 PHE 74 CG -0.0073 0.0052 0.0005 1118 PHE 74 CD1 -0.0105 0.0063 0.0005 1119 PHE 74 HD1 -0.0122 0.0063 0.0007 1120 PHE 74 CE1 -0.0115 0.0075 0.0004 1121 PHE 74 HE1 -0.0140 0.0083 0.0005 1122 PHE 74 CZ -0.0092 0.0075 0.0002 1123 PHE 74 HZ -0.0100 0.0085 0.0001 1124 PHE 74 CD2 -0.0050 0.0053 0.0003 1125 PHE 74 HD2 -0.0025 0.0044 0.0003 1126 PHE 74 CE2 -0.0060 0.0064 0.0002 1127 PHE 74 HE2 -0.0043 0.0065 0.0000 1128 PHE 74 C -0.0049 -0.0007 0.0013 1129 PHE 74 O -0.0063 -0.0014 0.0015 1130 HIS 75 N -0.0035 -0.0035 0.0108 1131 HIS 75 HN -0.0024 -0.0026 0.0104 1132 HIS 75 CA -0.0029 -0.0049 0.0102 1133 HIS 75 HA -0.0041 -0.0055 0.0107 1134 HIS 75 CB -0.0020 -0.0069 0.0092 1135 HIS 75 HB1 -0.0008 -0.0062 0.0086 1136 HIS 75 HB2 -0.0031 -0.0078 0.0096 1137 HIS 75 CD2 -0.0013 -0.0088 0.0083 1138 HIS 75 HD2 -0.0019 -0.0078 0.0089 1139 HIS 75 CG -0.0013 -0.0086 0.0084 1140 HIS 75 NE2 -0.0005 -0.0107 0.0074 1141 HIS 75 HE2 -0.0002 -0.0113 0.0071 1142 HIS 75 ND1 -0.0005 -0.0103 0.0075 1143 HIS 75 HD1 -0.0004 -0.0106 0.0074 1144 HIS 75 CE1 -0.0001 -0.0116 0.0069 1145 HIS 75 HE1 0.0006 -0.0131 0.0062 1146 HIS 75 C -0.0014 -0.0036 0.0096 1147 HIS 75 O 0.0001 -0.0026 0.0089 1148 LEU 76 N -0.0046 -0.0048 0.0106 1149 LEU 76 HN -0.0061 -0.0051 0.0104 1150 LEU 76 CA -0.0040 -0.0037 0.0117 1151 LEU 76 HA -0.0026 -0.0031 0.0122 1152 LEU 76 CB -0.0058 -0.0024 0.0128 1153 LEU 76 HB1 -0.0052 -0.0015 0.0137 1154 LEU 76 HB2 -0.0071 -0.0030 0.0124 1155 LEU 76 CG -0.0066 -0.0018 0.0134 1156 LEU 76 HG -0.0071 -0.0027 0.0126 1157 LEU 76 CD1 -0.0085 -0.0007 0.0144 1158 LEU 76 HD11 -0.0080 0.0002 0.0152 1159 LEU 76 HD12 -0.0090 -0.0002 0.0148 1160 LEU 76 HD13 -0.0097 -0.0014 0.0137 1161 LEU 76 CD2 -0.0049 -0.0009 0.0143 1162 LEU 76 HD21 -0.0036 -0.0016 0.0136 1163 LEU 76 HD22 -0.0055 -0.0004 0.0147 1164 LEU 76 HD23 -0.0044 0.0001 0.0151 1165 LEU 76 C -0.0036 -0.0044 0.0111 1166 LEU 76 O -0.0050 -0.0050 0.0105 1167 GLU 77 N -0.0025 -0.0063 0.0128 1168 GLU 77 HN -0.0008 -0.0034 0.0129 1169 GLU 77 CA -0.0018 -0.0090 0.0090 1170 GLU 77 HA -0.0036 -0.0121 0.0089 1171 GLU 77 CB 0.0009 -0.0080 0.0053 1172 GLU 77 HB1 0.0013 -0.0101 0.0025 1173 GLU 77 HB2 0.0028 -0.0049 0.0052 1174 GLU 77 CG 0.0006 -0.0084 0.0054 1175 GLU 77 HG1 0.0011 -0.0057 0.0074 1176 GLU 77 HG2 -0.0016 -0.0110 0.0066 1177 GLU 77 CD 0.0026 -0.0091 0.0013 1178 GLU 77 OE1 0.0053 -0.0063 -0.0005 1179 GLU 77 OE2 0.0015 -0.0123 -0.0000 1180 GLU 77 C -0.0016 -0.0088 0.0089 1181 GLU 77 O 0.0002 -0.0057 0.0088 1182 HIS 78 N -0.0147 -0.0168 0.0031 1183 HIS 78 HN -0.0179 -0.0201 0.0010 1184 HIS 78 CA -0.0166 -0.0158 0.0071 1185 HIS 78 HA -0.0133 -0.0119 0.0103 1186 HIS 78 CB -0.0237 -0.0178 0.0117 1187 HIS 78 HB1 -0.0258 -0.0181 0.0135 1188 HIS 78 HB2 -0.0270 -0.0216 0.0088 1189 HIS 78 CD2 -0.0262 -0.0149 0.0196 1190 HIS 78 HD2 -0.0278 -0.0177 0.0165 1191 HIS 78 CG -0.0241 -0.0145 0.0180 1192 HIS 78 NE2 -0.0262 -0.0112 0.0263 1193 HIS 78 HE2 -0.0274 -0.0105 0.0288 1194 HIS 78 ND1 -0.0230 -0.0105 0.0239 1195 HIS 78 HD1 -0.0215 -0.0092 0.0245 1196 HIS 78 CE1 -0.0242 -0.0086 0.0286 1197 HIS 78 HE1 -0.0235 -0.0053 0.0337 1198 HIS 78 C -0.0162 -0.0182 0.0025 1199 HIS 78 O -0.0188 -0.0225 -0.0022 1200 HIS 79 N -0.0247 -0.0230 0.0036 1201 HIS 79 HN -0.0212 -0.0127 0.0112 1202 HIS 79 CA -0.0216 -0.0280 -0.0040 1203 HIS 79 HA -0.0299 -0.0386 -0.0081 1204 HIS 79 CB -0.0050 -0.0269 -0.0160 1205 HIS 79 HB1 -0.0024 -0.0292 -0.0203 1206 HIS 79 HB2 0.0034 -0.0163 -0.0119 1207 HIS 79 CD2 0.0081 -0.0341 -0.0336 1208 HIS 79 HD2 0.0157 -0.0243 -0.0298 1209 HIS 79 CG -0.0021 -0.0367 -0.0281 1210 HIS 79 NE2 0.0077 -0.0466 -0.0460 1211 HIS 79 HE2 0.0138 -0.0484 -0.0526 1212 HIS 79 ND1 -0.0088 -0.0505 -0.0368 1213 HIS 79 HD1 -0.0165 -0.0552 -0.0355 1214 HIS 79 CE1 -0.0026 -0.0561 -0.0474 1215 HIS 79 HE1 -0.0056 -0.0671 -0.0562 1216 HIS 79 C -0.0222 -0.0193 0.0054 1217 HIS 79 O -0.0133 -0.0069 0.0109 1218 GLY 80 N -0.0382 -0.0355 0.0013 1219 GLY 80 HN -0.0473 -0.0449 -0.0059 1220 GLY 80 CA -0.0422 -0.0270 0.0157 1221 GLY 80 HA1 -0.0305 -0.0225 0.0144 1222 GLY 80 HA2 -0.0553 -0.0330 0.0161 1223 GLY 80 C -0.0447 -0.0163 0.0325 1224 GLY 80 O -0.0558 -0.0189 0.0362 1225 GLY 81 N -0.0211 0.0228 0.0283 1226 GLY 81 HN -0.0167 0.0236 0.0336 1227 GLY 81 CA -0.0199 0.0243 0.0319 1228 GLY 81 HA1 -0.0177 0.0284 0.0412 1229 GLY 81 HA2 -0.0280 0.0264 0.0285 1230 GLY 81 C -0.0101 0.0172 0.0280 1231 GLY 81 O -0.0092 0.0172 0.0289 1232 LYS 82 N -0.0031 0.0141 0.0268 1233 LYS 82 HN -0.0029 0.0117 0.0243 1234 LYS 82 CA 0.0025 0.0123 0.0248 1235 LYS 82 HA 0.0042 0.0161 0.0287 1236 LYS 82 CB 0.0106 0.0097 0.0219 1237 LYS 82 HB1 0.0147 0.0082 0.0202 1238 LYS 82 HB2 0.0088 0.0059 0.0179 1239 LYS 82 CG 0.0155 0.0141 0.0263 1240 LYS 82 HG1 0.0112 0.0159 0.0283 1241 LYS 82 HG2 0.0177 0.0177 0.0301 1242 LYS 82 CD 0.0229 0.0113 0.0233 1243 LYS 82 HD1 0.0276 0.0098 0.0216 1244 LYS 82 HD2 0.0205 0.0074 0.0192 1245 LYS 82 CE 0.0270 0.0154 0.0274 1246 LYS 82 HE1 0.0322 0.0130 0.0249 1247 LYS 82 HE2 0.0223 0.0167 0.0289 1248 LYS 82 NZ 0.0306 0.0206 0.0329 1249 LYS 82 HZ1 0.0348 0.0196 0.0317 1250 LYS 82 HZ2 0.0260 0.0233 0.0357 1251 LYS 82 HZ3 0.0337 0.0232 0.0355 1252 LYS 82 C -0.0016 0.0079 0.0202 1253 LYS 82 O -0.0065 0.0041 0.0164 1254 VAL 83 N 0.0028 0.0064 0.0186 1255 VAL 83 HN 0.0041 0.0084 0.0196 1256 VAL 83 CA 0.0016 0.0049 0.0182 1257 VAL 83 HA 0.0010 0.0027 0.0167 1258 VAL 83 CB -0.0015 0.0054 0.0203 1259 VAL 83 HB -0.0031 0.0049 0.0208 1260 VAL 83 CG1 -0.0010 0.0086 0.0226 1261 VAL 83 HG11 -0.0033 0.0089 0.0242 1262 VAL 83 HG12 0.0001 0.0099 0.0231 1263 VAL 83 HG13 0.0006 0.0092 0.0223 1264 VAL 83 CG2 -0.0030 0.0035 0.0196 1265 VAL 83 HG21 -0.0054 0.0037 0.0211 1266 VAL 83 HG22 -0.0015 0.0041 0.0192 1267 VAL 83 HG23 -0.0033 0.0013 0.0179 1268 VAL 83 C 0.0040 0.0056 0.0173 1269 VAL 83 O 0.0059 0.0080 0.0182 1270 SER 84 N 0.0075 0.0063 0.0135 1271 SER 84 HN 0.0057 0.0041 0.0127 1272 SER 84 CA 0.0099 0.0072 0.0122 1273 SER 84 HA 0.0116 0.0097 0.0133 1274 SER 84 CB 0.0120 0.0057 0.0085 1275 SER 84 HB1 0.0104 0.0032 0.0072 1276 SER 84 HB2 0.0130 0.0062 0.0081 1277 SER 84 OG 0.0147 0.0069 0.0072 1278 SER 84 HG1 0.0160 0.0060 0.0049 1279 SER 84 C 0.0083 0.0065 0.0130 1280 SER 84 O 0.0056 0.0043 0.0131 1281 ILE 85 N 0.0074 0.0068 0.0116 1282 ILE 85 HN 0.0087 0.0073 0.0118 1283 ILE 85 CA 0.0065 0.0066 0.0116 1284 ILE 85 HA 0.0049 0.0061 0.0114 1285 ILE 85 CB 0.0066 0.0080 0.0130 1286 ILE 85 HB 0.0082 0.0083 0.0130 1287 ILE 85 CG2 0.0055 0.0077 0.0130 1288 ILE 85 HG21 0.0055 0.0087 0.0141 1289 ILE 85 HG22 0.0061 0.0070 0.0121 1290 ILE 85 HG23 0.0039 0.0073 0.0130 1291 ILE 85 CG1 0.0060 0.0091 0.0144 1292 ILE 85 HG11 0.0062 0.0101 0.0154 1293 ILE 85 HG12 0.0070 0.0094 0.0144 1294 ILE 85 CD 0.0039 0.0088 0.0145 1295 ILE 85 HD1 0.0036 0.0096 0.0155 1296 ILE 85 HD2 0.0028 0.0088 0.0148 1297 ILE 85 HD3 0.0036 0.0078 0.0135 1298 ILE 85 C 0.0076 0.0056 0.0103 1299 ILE 85 O 0.0093 0.0059 0.0102 1300 LYS 86 N 0.0061 0.0064 0.0119 1301 LYS 86 HN 0.0048 0.0049 0.0125 1302 LYS 86 CA 0.0068 0.0064 0.0109 1303 LYS 86 HA 0.0081 0.0083 0.0107 1304 LYS 86 CB 0.0076 0.0043 0.0085 1305 LYS 86 HB1 0.0087 0.0046 0.0074 1306 LYS 86 HB2 0.0084 0.0047 0.0077 1307 LYS 86 CG 0.0060 0.0015 0.0085 1308 LYS 86 HG1 0.0050 0.0011 0.0095 1309 LYS 86 HG2 0.0051 0.0011 0.0094 1310 LYS 86 CD 0.0070 -0.0003 0.0060 1311 LYS 86 HD1 0.0079 0.0001 0.0051 1312 LYS 86 HD2 0.0081 0.0002 0.0050 1313 LYS 86 CE 0.0056 -0.0032 0.0058 1314 LYS 86 HE1 0.0048 -0.0037 0.0064 1315 LYS 86 HE2 0.0045 -0.0037 0.0068 1316 LYS 86 NZ 0.0067 -0.0048 0.0033 1317 LYS 86 HZ1 0.0081 -0.0037 0.0022 1318 LYS 86 HZ2 0.0065 -0.0053 0.0031 1319 LYS 86 HZ3 0.0060 -0.0065 0.0029 1320 LYS 86 C 0.0053 0.0061 0.0126 1321 LYS 86 O 0.0036 0.0052 0.0143 1322 GLY 87 N 0.0055 0.0119 0.0087 1323 GLY 87 HN 0.0061 0.0112 0.0095 1324 GLY 87 CA 0.0046 0.0112 0.0076 1325 GLY 87 HA1 0.0045 0.0105 0.0073 1326 GLY 87 HA2 0.0040 0.0120 0.0069 1327 GLY 87 C 0.0047 0.0100 0.0076 1328 GLY 87 O 0.0053 0.0099 0.0084 1329 HIS 88 N 0.0011 0.0166 0.0051 1330 HIS 88 HN 0.0013 0.0167 0.0056 1331 HIS 88 CA 0.0008 0.0190 0.0085 1332 HIS 88 HA 0.0027 0.0174 0.0089 1333 HIS 88 CB 0.0018 0.0205 0.0128 1334 HIS 88 HB1 -0.0002 0.0224 0.0127 1335 HIS 88 HB2 0.0044 0.0184 0.0134 1336 HIS 88 CD2 0.0012 0.0253 0.0198 1337 HIS 88 HD2 -0.0002 0.0272 0.0206 1338 HIS 88 CG 0.0024 0.0222 0.0165 1339 HIS 88 NE2 0.0023 0.0256 0.0221 1340 HIS 88 HE2 0.0018 0.0277 0.0246 1341 HIS 88 ND1 0.0042 0.0206 0.0167 1342 HIS 88 HD1 0.0054 0.0182 0.0147 1343 HIS 88 CE1 0.0041 0.0227 0.0201 1344 HIS 88 HE1 0.0052 0.0223 0.0211 1345 HIS 88 C -0.0028 0.0218 0.0073 1346 HIS 88 O -0.0055 0.0228 0.0047 1347 HIS 89 N 0.0077 0.0249 0.0200 1348 HIS 89 HN 0.0099 0.0215 0.0244 1349 HIS 89 CA 0.0063 0.0270 0.0180 1350 HIS 89 HA 0.0074 0.0246 0.0225 1351 HIS 89 CB -0.0000 0.0337 0.0182 1352 HIS 89 HB1 -0.0008 0.0347 0.0173 1353 HIS 89 HB2 -0.0015 0.0364 0.0135 1354 HIS 89 CD2 -0.0076 0.0394 0.0278 1355 HIS 89 HD2 -0.0093 0.0422 0.0240 1356 HIS 89 CG -0.0034 0.0353 0.0261 1357 HIS 89 NE2 -0.0095 0.0394 0.0358 1358 HIS 89 HE2 -0.0127 0.0421 0.0390 1359 HIS 89 ND1 -0.0026 0.0329 0.0328 1360 HIS 89 HD1 0.0001 0.0298 0.0333 1361 HIS 89 CE1 -0.0063 0.0354 0.0385 1362 HIS 89 HE1 -0.0070 0.0346 0.0447 1363 HIS 89 C 0.0098 0.0251 0.0102 1364 HIS 89 O 0.0088 0.0269 0.0073 1365 HIS 90 N 0.0090 0.0186 0.0124 1366 HIS 90 HN 0.0083 0.0179 0.0154 1367 HIS 90 CA 0.0091 0.0167 0.0094 1368 HIS 90 HA 0.0082 0.0143 0.0111 1369 HIS 90 CB 0.0092 0.0143 0.0057 1370 HIS 90 HB1 0.0094 0.0133 0.0033 1371 HIS 90 HB2 0.0100 0.0163 0.0042 1372 HIS 90 CD2 0.0074 0.0101 0.0098 1373 HIS 90 HD2 0.0077 0.0125 0.0113 1374 HIS 90 CG 0.0080 0.0105 0.0072 1375 HIS 90 NE2 0.0063 0.0060 0.0103 1376 HIS 90 HE2 0.0056 0.0049 0.0121 1377 HIS 90 ND1 0.0072 0.0065 0.0060 1378 HIS 90 HD1 0.0074 0.0057 0.0038 1379 HIS 90 CE1 0.0062 0.0039 0.0080 1380 HIS 90 HE1 0.0054 0.0006 0.0077 1381 HIS 90 C 0.0100 0.0193 0.0080 1382 HIS 90 O 0.0103 0.0182 0.0050 1383 HIS 91 N 0.0118 0.0214 0.0125 1384 HIS 91 HN 0.0130 0.0228 0.0150 1385 HIS 91 CA 0.0113 0.0223 0.0111 1386 HIS 91 HA 0.0100 0.0226 0.0079 1387 HIS 91 CB 0.0125 0.0266 0.0125 1388 HIS 91 HB1 0.0121 0.0274 0.0113 1389 HIS 91 HB2 0.0138 0.0265 0.0158 1390 HIS 91 CD2 0.0137 0.0331 0.0133 1391 HIS 91 HD2 0.0150 0.0336 0.0163 1392 HIS 91 CG 0.0124 0.0301 0.0112 1393 HIS 91 NE2 0.0129 0.0353 0.0105 1394 HIS 91 HE2 0.0134 0.0375 0.0110 1395 HIS 91 ND1 0.0109 0.0305 0.0073 1396 HIS 91 HD1 0.0098 0.0288 0.0051 1397 HIS 91 CE1 0.0112 0.0336 0.0070 1398 HIS 91 HE1 0.0102 0.0347 0.0043 1399 HIS 91 C 0.0113 0.0190 0.0123 1400 HIS 91 O 0.0123 0.0169 0.0154 1401 TYR 92 N 0.0151 0.0153 0.0120 1402 TYR 92 HN 0.0158 0.0168 0.0101 1403 TYR 92 CA 0.0147 0.0142 0.0125 1404 TYR 92 HA 0.0140 0.0122 0.0141 1405 TYR 92 CB 0.0148 0.0129 0.0093 1406 TYR 92 HB1 0.0147 0.0124 0.0095 1407 TYR 92 HB2 0.0156 0.0147 0.0074 1408 TYR 92 CG 0.0142 0.0099 0.0081 1409 TYR 92 CD1 0.0144 0.0099 0.0063 1410 TYR 92 HD1 0.0151 0.0121 0.0059 1411 TYR 92 CE1 0.0138 0.0071 0.0053 1412 TYR 92 HE1 0.0139 0.0072 0.0041 1413 TYR 92 CZ 0.0129 0.0043 0.0059 1414 TYR 92 OH 0.0122 0.0015 0.0050 1415 TYR 92 HH 0.0116 -0.0002 0.0058 1416 TYR 92 CD2 0.0133 0.0071 0.0086 1417 TYR 92 HD2 0.0131 0.0070 0.0098 1418 TYR 92 CE2 0.0126 0.0043 0.0075 1419 TYR 92 HE2 0.0119 0.0021 0.0079 1420 TYR 92 C 0.0152 0.0166 0.0140 1421 TYR 92 O 0.0161 0.0192 0.0131 1422 ILE 93 N 0.0117 0.0115 0.0118 1423 ILE 93 HN 0.0122 0.0125 0.0116 1424 ILE 93 CA 0.0107 0.0117 0.0104 1425 ILE 93 HA 0.0098 0.0104 0.0103 1426 ILE 93 CB 0.0103 0.0129 0.0086 1427 ILE 93 HB 0.0113 0.0142 0.0087 1428 ILE 93 CG2 0.0096 0.0121 0.0084 1429 ILE 93 HG21 0.0092 0.0129 0.0072 1430 ILE 93 HG22 0.0086 0.0107 0.0085 1431 ILE 93 HG23 0.0104 0.0122 0.0094 1432 ILE 93 CG1 0.0092 0.0130 0.0071 1433 ILE 93 HG11 0.0081 0.0117 0.0069 1434 ILE 93 HG12 0.0096 0.0133 0.0073 1435 ILE 93 CD 0.0089 0.0145 0.0054 1436 ILE 93 HD1 0.0100 0.0158 0.0056 1437 ILE 93 HD2 0.0082 0.0146 0.0043 1438 ILE 93 HD3 0.0085 0.0142 0.0050 1439 ILE 93 C 0.0115 0.0124 0.0107 1440 ILE 93 O 0.0127 0.0138 0.0109 1441 SER 94 N 0.0137 0.0158 0.0111 1442 SER 94 HN 0.0126 0.0152 0.0110 1443 SER 94 CA 0.0137 0.0158 0.0110 1444 SER 94 HA 0.0151 0.0165 0.0112 1445 SER 94 CB 0.0127 0.0149 0.0126 1446 SER 94 HB1 0.0113 0.0142 0.0124 1447 SER 94 HB2 0.0132 0.0148 0.0140 1448 SER 94 OG 0.0131 0.0149 0.0130 1449 SER 94 HG1 0.0124 0.0149 0.0120 1450 SER 94 C 0.0129 0.0158 0.0091 1451 SER 94 O 0.0115 0.0153 0.0085 1452 ALA 95 N 0.0102 0.0132 0.0050 1453 ALA 95 HN 0.0108 0.0133 0.0051 1454 ALA 95 CA 0.0096 0.0122 0.0030 1455 ALA 95 HA 0.0093 0.0121 0.0029 1456 ALA 95 CB 0.0114 0.0114 0.0015 1457 ALA 95 HB1 0.0117 0.0115 0.0016 1458 ALA 95 HB2 0.0109 0.0106 0.0000 1459 ALA 95 HB3 0.0129 0.0116 0.0019 1460 ALA 95 C 0.0075 0.0119 0.0025 1461 ALA 95 O 0.0073 0.0120 0.0028 1462 ASP 96 N 0.0056 0.0093 -0.0027 1463 ASP 96 HN 0.0056 0.0091 -0.0032 1464 ASP 96 CA 0.0035 0.0084 -0.0030 1465 ASP 96 HA 0.0030 0.0090 -0.0016 1466 ASP 96 CB 0.0014 0.0076 -0.0031 1467 ASP 96 HB1 -0.0002 0.0069 -0.0034 1468 ASP 96 HB2 0.0020 0.0071 -0.0045 1469 ASP 96 CG 0.0008 0.0085 -0.0010 1470 ASP 96 OD1 -0.0006 0.0080 -0.0010 1471 ASP 96 OD2 0.0016 0.0097 0.0008 1472 ASP 96 C 0.0041 0.0075 -0.0051 1473 ASP 96 O 0.0060 0.0075 -0.0064 1474 HIS 97 N 0.0008 0.0117 -0.0100 1475 HIS 97 HN -0.0018 0.0142 -0.0112 1476 HIS 97 CA 0.0001 0.0060 -0.0103 1477 HIS 97 HA 0.0004 0.0038 -0.0101 1478 HIS 97 CB -0.0049 0.0049 -0.0125 1479 HIS 97 HB1 -0.0054 0.0005 -0.0126 1480 HIS 97 HB2 -0.0053 0.0070 -0.0127 1481 HIS 97 CD2 -0.0111 0.0040 -0.0152 1482 HIS 97 HD2 -0.0102 0.0002 -0.0148 1483 HIS 97 CG -0.0090 0.0066 -0.0143 1484 HIS 97 NE2 -0.0148 0.0073 -0.0169 1485 HIS 97 HE2 -0.0166 0.0070 -0.0177 1486 HIS 97 ND1 -0.0114 0.0113 -0.0154 1487 HIS 97 HD1 -0.0106 0.0140 -0.0151 1488 HIS 97 CE1 -0.0148 0.0116 -0.0169 1489 HIS 97 HE1 -0.0173 0.0150 -0.0181 1490 HIS 97 C 0.0040 0.0038 -0.0085 1491 HIS 97 O 0.0049 -0.0010 -0.0081 1492 HIS 98 N 0.0041 0.0014 -0.0094 1493 HIS 98 HN 0.0041 0.0030 -0.0101 1494 HIS 98 CA 0.0067 -0.0007 -0.0094 1495 HIS 98 HA 0.0072 -0.0013 -0.0093 1496 HIS 98 CB 0.0064 -0.0033 -0.0080 1497 HIS 98 HB1 0.0058 -0.0028 -0.0081 1498 HIS 98 HB2 0.0045 -0.0043 -0.0069 1499 HIS 98 CD2 0.0107 -0.0069 -0.0079 1500 HIS 98 HD2 0.0104 -0.0066 -0.0080 1501 HIS 98 CG 0.0091 -0.0056 -0.0080 1502 HIS 98 NE2 0.0129 -0.0087 -0.0079 1503 HIS 98 HE2 0.0144 -0.0100 -0.0079 1504 HIS 98 ND1 0.0102 -0.0065 -0.0079 1505 HIS 98 HD1 0.0095 -0.0059 -0.0080 1506 HIS 98 CE1 0.0125 -0.0084 -0.0079 1507 HIS 98 HE1 0.0138 -0.0096 -0.0078 1508 HIS 98 C 0.0093 0.0006 -0.0109 1509 HIS 98 O 0.0089 0.0026 -0.0117 1510 GLY 99 N 0.0061 -0.0021 -0.0103 1511 GLY 99 HN 0.0062 -0.0019 -0.0109 1512 GLY 99 CA 0.0058 -0.0026 -0.0108 1513 GLY 99 HA1 0.0054 -0.0033 -0.0102 1514 GLY 99 HA2 0.0057 -0.0029 -0.0118 1515 GLY 99 C 0.0063 -0.0019 -0.0109 1516 GLY 99 O 0.0069 -0.0009 -0.0108 1517 HIS 100 N 0.0006 -0.0042 -0.0091 1518 HIS 100 HN -0.0008 -0.0058 -0.0092 1519 HIS 100 CA 0.0019 -0.0027 -0.0086 1520 HIS 100 HA 0.0031 -0.0018 -0.0105 1521 HIS 100 CB 0.0006 -0.0040 -0.0086 1522 HIS 100 HB1 0.0016 -0.0029 -0.0084 1523 HIS 100 HB2 -0.0006 -0.0050 -0.0067 1524 HIS 100 CD2 0.0006 -0.0053 -0.0143 1525 HIS 100 HD2 0.0022 -0.0038 -0.0152 1526 HIS 100 CG -0.0003 -0.0056 -0.0114 1527 HIS 100 NE2 -0.0009 -0.0073 -0.0159 1528 HIS 100 HE2 -0.0007 -0.0076 -0.0181 1529 HIS 100 ND1 -0.0023 -0.0078 -0.0111 1530 HIS 100 HD1 -0.0034 -0.0085 -0.0093 1531 HIS 100 CE1 -0.0026 -0.0087 -0.0139 1532 HIS 100 HE1 -0.0041 -0.0104 -0.0145 1533 HIS 100 C 0.0029 -0.0010 -0.0058 1534 HIS 100 O 0.0020 -0.0015 -0.0033 1535 VAL 101 N 0.0039 0.0024 -0.0048 1536 VAL 101 HN 0.0049 0.0024 -0.0064 1537 VAL 101 CA 0.0049 0.0042 -0.0028 1538 VAL 101 HA 0.0044 0.0043 -0.0017 1539 VAL 101 CB 0.0073 0.0056 -0.0040 1540 VAL 101 HB 0.0078 0.0053 -0.0054 1541 VAL 101 CG1 0.0085 0.0076 -0.0022 1542 VAL 101 HG11 0.0083 0.0079 -0.0013 1543 VAL 101 HG12 0.0081 0.0080 -0.0008 1544 VAL 101 HG13 0.0102 0.0086 -0.0032 1545 VAL 101 CG2 0.0077 0.0054 -0.0052 1546 VAL 101 HG21 0.0072 0.0056 -0.0039 1547 VAL 101 HG22 0.0069 0.0040 -0.0066 1548 VAL 101 HG23 0.0094 0.0064 -0.0061 1549 VAL 101 C 0.0044 0.0045 -0.0012 1550 VAL 101 O 0.0040 0.0038 -0.0020 1551 SER 102 N 0.0064 0.0093 0.0027 1552 SER 102 HN 0.0076 0.0103 0.0036 1553 SER 102 CA 0.0056 0.0083 0.0049 1554 SER 102 HA 0.0048 0.0077 0.0036 1555 SER 102 CB 0.0037 0.0064 0.0070 1556 SER 102 HB1 0.0023 0.0053 0.0054 1557 SER 102 HB2 0.0028 0.0055 0.0083 1558 SER 102 OG 0.0045 0.0071 0.0092 1559 SER 102 HG1 0.0045 0.0071 0.0081 1560 SER 102 C 0.0075 0.0100 0.0070 1561 SER 102 O 0.0094 0.0119 0.0060 1562 THR 103 N 0.0093 0.0129 0.0105 1563 THR 103 HN 0.0085 0.0113 0.0113 1564 THR 103 CA 0.0104 0.0139 0.0121 1565 THR 103 HA 0.0117 0.0157 0.0121 1566 THR 103 CB 0.0099 0.0136 0.0109 1567 THR 103 HB 0.0099 0.0144 0.0087 1568 THR 103 OG1 0.0111 0.0148 0.0124 1569 THR 103 HG1 0.0109 0.0149 0.0112 1570 THR 103 CG2 0.0082 0.0110 0.0111 1571 THR 103 HG21 0.0078 0.0109 0.0101 1572 THR 103 HG22 0.0072 0.0100 0.0100 1573 THR 103 HG23 0.0082 0.0101 0.0133 1574 THR 103 C 0.0104 0.0126 0.0151 1575 THR 103 O 0.0091 0.0105 0.0156 1576 LYS 104 N 0.0176 0.0164 0.0145 1577 LYS 104 HN 0.0179 0.0162 0.0145 1578 LYS 104 CA 0.0175 0.0163 0.0147 1579 LYS 104 HA 0.0171 0.0164 0.0150 1580 LYS 104 CB 0.0175 0.0164 0.0143 1581 LYS 104 HB1 0.0171 0.0166 0.0140 1582 LYS 104 HB2 0.0174 0.0164 0.0144 1583 LYS 104 CG 0.0180 0.0164 0.0138 1584 LYS 104 HG1 0.0184 0.0162 0.0141 1585 LYS 104 HG2 0.0182 0.0164 0.0137 1586 LYS 104 CD 0.0179 0.0165 0.0133 1587 LYS 104 HD1 0.0176 0.0167 0.0130 1588 LYS 104 HD2 0.0177 0.0166 0.0135 1589 LYS 104 CE 0.0185 0.0164 0.0129 1590 LYS 104 HE1 0.0188 0.0163 0.0132 1591 LYS 104 HE2 0.0187 0.0164 0.0128 1592 LYS 104 NZ 0.0184 0.0166 0.0125 1593 LYS 104 HZ1 0.0188 0.0165 0.0124 1594 LYS 104 HZ2 0.0181 0.0167 0.0125 1595 LYS 104 HZ3 0.0183 0.0167 0.0121 1596 LYS 104 C 0.0180 0.0161 0.0151 1597 LYS 104 O 0.0184 0.0160 0.0152 1598 GLU 105 N 0.0206 0.0301 0.0111 1599 GLU 105 HN 0.0218 0.0325 0.0100 1600 GLU 105 CA 0.0181 0.0300 0.0080 1601 GLU 105 HA 0.0181 0.0285 0.0096 1602 GLU 105 CB 0.0192 0.0344 0.0047 1603 GLU 105 HB1 0.0191 0.0360 0.0030 1604 GLU 105 HB2 0.0221 0.0362 0.0065 1605 GLU 105 CG 0.0166 0.0345 0.0014 1606 GLU 105 HG1 0.0166 0.0328 0.0031 1607 GLU 105 HG2 0.0137 0.0329 -0.0006 1608 GLU 105 CD 0.0181 0.0389 -0.0014 1609 GLU 105 OE1 0.0202 0.0404 -0.0004 1610 GLU 105 OE2 0.0170 0.0407 -0.0047 1611 GLU 105 C 0.0141 0.0274 0.0058 1612 GLU 105 O 0.0135 0.0278 0.0045 1613 HIS 106 N 0.0242 0.0234 0.0033 1614 HIS 106 HN 0.0229 0.0219 0.0049 1615 HIS 106 CA 0.0202 0.0193 -0.0002 1616 HIS 106 HA 0.0169 0.0159 -0.0020 1617 HIS 106 CB 0.0217 0.0214 -0.0078 1618 HIS 106 HB1 0.0181 0.0177 -0.0102 1619 HIS 106 HB2 0.0250 0.0249 -0.0066 1620 HIS 106 CD2 0.0278 0.0287 -0.0177 1621 HIS 106 HD2 0.0316 0.0328 -0.0168 1622 HIS 106 CG 0.0231 0.0234 -0.0142 1623 HIS 106 NE2 0.0271 0.0283 -0.0228 1624 HIS 106 HE2 0.0300 0.0316 -0.0252 1625 HIS 106 ND1 0.0193 0.0195 -0.0171 1626 HIS 106 HD1 0.0155 0.0153 -0.0156 1627 HIS 106 CE1 0.0219 0.0226 -0.0222 1628 HIS 106 HE1 0.0202 0.0210 -0.0254 1629 HIS 106 C 0.0178 0.0163 0.0056 1630 HIS 106 O 0.0205 0.0188 0.0108 1631 HIS 107 N 0.0214 0.0082 0.0020 1632 HIS 107 HN 0.0220 0.0052 0.0016 1633 HIS 107 CA 0.0216 0.0082 0.0016 1634 HIS 107 HA 0.0199 0.0097 0.0041 1635 HIS 107 CB 0.0222 0.0034 0.0016 1636 HIS 107 HB1 0.0238 0.0016 -0.0007 1637 HIS 107 HB2 0.0206 0.0015 0.0044 1638 HIS 107 CD2 0.0250 0.0025 -0.0027 1639 HIS 107 HD2 0.0268 0.0019 -0.0054 1640 HIS 107 CG 0.0227 0.0032 0.0007 1641 HIS 107 NE2 0.0245 0.0029 -0.0019 1642 HIS 107 HE2 0.0257 0.0029 -0.0039 1643 HIS 107 ND1 0.0209 0.0039 0.0035 1644 HIS 107 HD1 0.0190 0.0044 0.0063 1645 HIS 107 CE1 0.0220 0.0037 0.0018 1646 HIS 107 HE1 0.0211 0.0043 0.0031 1647 HIS 107 C 0.0235 0.0110 -0.0018 1648 HIS 107 O 0.0256 0.0110 -0.0049 1649 ASP 108 N 0.0250 0.0095 0.0116 1650 ASP 108 HN 0.0233 0.0099 0.0122 1651 ASP 108 CA 0.0267 0.0115 0.0113 1652 ASP 108 HA 0.0284 0.0108 0.0106 1653 ASP 108 CB 0.0269 0.0126 0.0113 1654 ASP 108 HB1 0.0253 0.0136 0.0120 1655 ASP 108 HB2 0.0271 0.0109 0.0111 1656 ASP 108 CG 0.0291 0.0142 0.0108 1657 ASP 108 OD1 0.0304 0.0150 0.0104 1658 ASP 108 OD2 0.0294 0.0148 0.0107 1659 ASP 108 C 0.0260 0.0135 0.0117 1660 ASP 108 O 0.0240 0.0135 0.0124 1661 HIS 109 N 0.0293 0.0094 0.0174 1662 HIS 109 HN 0.0318 0.0088 0.0176 1663 HIS 109 CA 0.0292 0.0158 0.0141 1664 HIS 109 HA 0.0287 0.0153 0.0144 1665 HIS 109 CB 0.0362 0.0195 0.0116 1666 HIS 109 HB1 0.0353 0.0247 0.0090 1667 HIS 109 HB2 0.0379 0.0187 0.0119 1668 HIS 109 CD2 0.0486 0.0141 0.0134 1669 HIS 109 HD2 0.0512 0.0127 0.0139 1670 HIS 109 CG 0.0421 0.0170 0.0124 1671 HIS 109 NE2 0.0521 0.0128 0.0137 1672 HIS 109 HE2 0.0570 0.0107 0.0144 1673 HIS 109 ND1 0.0415 0.0176 0.0121 1674 HIS 109 HD1 0.0371 0.0195 0.0115 1675 HIS 109 CE1 0.0476 0.0149 0.0130 1676 HIS 109 HE1 0.0486 0.0146 0.0131 1677 HIS 109 C 0.0224 0.0198 0.0126 1678 HIS 109 O 0.0201 0.0242 0.0105 1679 ASP 110 N 0.0193 0.0166 0.0112 1680 ASP 110 HN 0.0189 0.0162 0.0125 1681 ASP 110 CA 0.0166 0.0169 0.0104 1682 ASP 110 HA 0.0164 0.0176 0.0081 1683 ASP 110 CB 0.0139 0.0165 0.0119 1684 ASP 110 HB1 0.0119 0.0166 0.0114 1685 ASP 110 HB2 0.0143 0.0158 0.0141 1686 ASP 110 CG 0.0129 0.0168 0.0109 1687 ASP 110 OD1 0.0142 0.0174 0.0089 1688 ASP 110 OD2 0.0108 0.0164 0.0123 1689 ASP 110 C 0.0166 0.0167 0.0112 1690 ASP 110 O 0.0151 0.0170 0.0100 1691 THR 111 N 0.0189 0.0164 0.0117 1692 THR 111 HN 0.0197 0.0157 0.0111 1693 THR 111 CA 0.0175 0.0156 0.0124 1694 THR 111 HA 0.0168 0.0164 0.0130 1695 THR 111 CB 0.0174 0.0141 0.0122 1696 THR 111 HB 0.0163 0.0137 0.0128 1697 THR 111 OG1 0.0180 0.0128 0.0115 1698 THR 111 HG1 0.0174 0.0124 0.0118 1699 THR 111 CG2 0.0182 0.0146 0.0118 1700 THR 111 HG21 0.0193 0.0149 0.0112 1701 THR 111 HG22 0.0181 0.0135 0.0116 1702 THR 111 HG23 0.0177 0.0156 0.0123 1703 THR 111 C 0.0170 0.0151 0.0126 1704 THR 111 O 0.0159 0.0141 0.0131 1705 THR 112 N 0.0166 0.0132 0.0148 1706 THR 112 HN 0.0179 0.0145 0.0144 1707 THR 112 CA 0.0164 0.0129 0.0148 1708 THR 112 HA 0.0148 0.0117 0.0154 1709 THR 112 CB 0.0187 0.0116 0.0138 1710 THR 112 HB 0.0203 0.0130 0.0133 1711 THR 112 OG1 0.0191 0.0091 0.0134 1712 THR 112 HG1 0.0196 0.0094 0.0132 1713 THR 112 CG2 0.0183 0.0112 0.0139 1714 THR 112 HG21 0.0166 0.0100 0.0145 1715 THR 112 HG22 0.0199 0.0101 0.0132 1716 THR 112 HG23 0.0181 0.0131 0.0142 1717 THR 112 C 0.0162 0.0155 0.0152 1718 THR 112 O 0.0176 0.0174 0.0149 1719 PHE 113 N 0.0074 0.0123 0.0094 1720 PHE 113 HN 0.0071 0.0121 0.0092 1721 PHE 113 CA 0.0076 0.0121 0.0106 1722 PHE 113 HA 0.0078 0.0122 0.0107 1723 PHE 113 CB 0.0083 0.0123 0.0114 1724 PHE 113 HB1 0.0085 0.0122 0.0123 1725 PHE 113 HB2 0.0079 0.0121 0.0114 1726 PHE 113 CG 0.0093 0.0131 0.0109 1727 PHE 113 CD1 0.0096 0.0134 0.0107 1728 PHE 113 HD1 0.0092 0.0131 0.0109 1729 PHE 113 CE1 0.0105 0.0141 0.0103 1730 PHE 113 HE1 0.0108 0.0144 0.0101 1731 PHE 113 CZ 0.0111 0.0146 0.0100 1732 PHE 113 HZ 0.0118 0.0151 0.0097 1733 PHE 113 CD2 0.0098 0.0136 0.0107 1734 PHE 113 HD2 0.0096 0.0133 0.0108 1735 PHE 113 CE2 0.0107 0.0143 0.0102 1736 PHE 113 HE2 0.0111 0.0146 0.0100 1737 PHE 113 C 0.0066 0.0113 0.0110 1738 PHE 113 O 0.0059 0.0110 0.0104 1739 GLU 114 N 0.0025 0.0048 0.0106 1740 GLU 114 HN 0.0025 0.0018 0.0104 1741 GLU 114 CA 0.0023 0.0112 0.0103 1742 GLU 114 HA 0.0020 0.0139 0.0090 1743 GLU 114 CB 0.0035 0.0135 0.0164 1744 GLU 114 HB1 0.0033 0.0184 0.0160 1745 GLU 114 HB2 0.0037 0.0109 0.0176 1746 GLU 114 CG 0.0045 0.0127 0.0216 1747 GLU 114 HG1 0.0048 0.0079 0.0226 1748 GLU 114 HG2 0.0042 0.0148 0.0203 1749 GLU 114 CD 0.0056 0.0158 0.0273 1750 GLU 114 OE1 0.0064 0.0163 0.0315 1751 GLU 114 OE2 0.0056 0.0175 0.0275 1752 GLU 114 C 0.0014 0.0121 0.0056 1753 GLU 114 O 0.0011 0.0078 0.0038 1754 GLU 115 N -0.0073 0.0081 0.0068 1755 GLU 115 HN -0.0083 0.0102 0.0069 1756 GLU 115 CA -0.0065 0.0074 0.0059 1757 GLU 115 HA -0.0051 0.0066 0.0040 1758 GLU 115 CB -0.0073 0.0102 0.0053 1759 GLU 115 HB1 -0.0069 0.0096 0.0049 1760 GLU 115 HB2 -0.0088 0.0112 0.0071 1761 GLU 115 CG -0.0068 0.0123 0.0027 1762 GLU 115 HG1 -0.0071 0.0129 0.0029 1763 GLU 115 HG2 -0.0053 0.0113 0.0009 1764 GLU 115 CD -0.0077 0.0151 0.0022 1765 GLU 115 OE1 -0.0076 0.0148 0.0022 1766 GLU 115 OE2 -0.0084 0.0175 0.0018 1767 GLU 115 C -0.0066 0.0050 0.0078 1768 GLU 115 O -0.0078 0.0044 0.0102 1769 ILE 116 N -0.0049 -0.0020 0.0005 1770 ILE 116 HN -0.0032 -0.0014 -0.0008 1771 ILE 116 CA -0.0048 -0.0049 0.0017 1772 ILE 116 HA -0.0066 -0.0054 0.0030 1773 ILE 116 CB -0.0024 -0.0068 0.0013 1774 ILE 116 HB -0.0007 -0.0060 -0.0001 1775 ILE 116 CG2 -0.0028 -0.0066 0.0014 1776 ILE 116 HG21 -0.0031 -0.0045 0.0006 1777 ILE 116 HG22 -0.0010 -0.0078 0.0008 1778 ILE 116 HG23 -0.0044 -0.0075 0.0028 1779 ILE 116 CG1 -0.0021 -0.0098 0.0024 1780 ILE 116 HG11 -0.0038 -0.0106 0.0038 1781 ILE 116 HG12 -0.0019 -0.0099 0.0024 1782 ILE 116 CD 0.0004 -0.0117 0.0019 1783 ILE 116 HD1 0.0022 -0.0109 0.0005 1784 ILE 116 HD2 0.0006 -0.0138 0.0027 1785 ILE 116 HD3 0.0003 -0.0119 0.0020 1786 ILE 116 C -0.0049 -0.0051 0.0019 1787 ILE 116 O -0.0034 -0.0040 0.0005 1788 ILE 117 N -0.0154 -0.0190 0.0131 1789 ILE 117 HN -0.0181 -0.0233 0.0191 1790 ILE 117 CA -0.0190 -0.0156 0.0145 1791 ILE 117 HA -0.0183 -0.0083 0.0085 1792 ILE 117 CB -0.0291 -0.0130 0.0233 1793 ILE 117 HB -0.0302 -0.0199 0.0294 1794 ILE 117 CG2 -0.0324 -0.0114 0.0257 1795 ILE 117 HG21 -0.0398 -0.0091 0.0319 1796 ILE 117 HG22 -0.0291 -0.0189 0.0276 1797 ILE 117 HG23 -0.0311 -0.0051 0.0197 1798 ILE 117 CG1 -0.0348 -0.0028 0.0221 1799 ILE 117 HG11 -0.0315 0.0027 0.0146 1800 ILE 117 HG12 -0.0415 0.0014 0.0261 1801 ILE 117 CD -0.0367 -0.0050 0.0257 1802 ILE 117 HD1 -0.0304 -0.0087 0.0217 1803 ILE 117 HD2 -0.0403 -0.0104 0.0333 1804 ILE 117 HD3 -0.0412 0.0026 0.0250 1805 ILE 117 C -0.0133 -0.0239 0.0144 1806 ILE 117 O -0.0110 -0.0335 0.0188 1807 ILE 118 N -0.0093 -0.0250 -0.0094 1808 ILE 118 HN -0.0023 -0.0192 -0.0055 1809 ILE 118 CA 0.0054 -0.0664 -0.0402 1810 ILE 118 HA -0.0097 -0.0383 -0.0191 1811 ILE 118 CB 0.0114 -0.0277 -0.0123 1812 ILE 118 HB 0.0204 -0.0242 -0.0101 1813 ILE 118 CG2 0.0192 -0.0371 -0.0195 1814 ILE 118 HG21 0.0283 -0.0324 -0.0164 1815 ILE 118 HG22 0.0247 -0.0447 -0.0252 1816 ILE 118 HG23 0.0106 -0.0414 -0.0222 1817 ILE 118 CG1 0.0062 -0.0161 -0.0036 1818 ILE 118 HG11 0.0162 -0.0121 -0.0011 1819 ILE 118 HG12 0.0026 -0.0088 0.0019 1820 ILE 118 CD -0.0071 -0.0184 -0.0048 1821 ILE 118 HD1 -0.0103 -0.0096 0.0018 1822 ILE 118 HD2 -0.0038 -0.0252 -0.0098 1823 ILE 118 HD3 -0.0175 -0.0222 -0.0071 1824 ILE 118 C 0.0045 -0.0439 -0.0238 1825 ILE 118 OT1 0.0123 -0.0413 -0.0223 1826 ILE 118 OT2 -0.0019 -0.0366 -0.0182