1 ASP 28 N -0.0077 -0.0014 0.0060 2 ASP 28 CA -0.0045 -0.0020 0.0031 3 ASP 28 C -0.0025 0.0006 0.0008 4 ASP 28 O -0.0026 0.0005 0.0009 5 ASP 28 CB -0.0033 -0.0067 0.0026 6 ASP 28 CG -0.0000 -0.0075 -0.0004 7 ASP 28 OD1 0.0005 -0.0069 -0.0009 8 ASP 28 OD2 0.0020 -0.0090 -0.0021 9 ASP 28 H -0.0092 -0.0032 0.0076 10 ASP 28 HA -0.0046 -0.0009 0.0030 11 ASP 28 HB2 -0.0048 -0.0084 0.0042 12 ASP 28 HB3 -0.0034 -0.0078 0.0028 13 PRO 29 N -0.0049 0.0006 0.0005 14 PRO 29 CA -0.0004 0.0012 0.0007 15 PRO 29 C 0.0020 -0.0015 -0.0017 16 PRO 29 O 0.0011 -0.0025 -0.0025 17 PRO 29 CB 0.0005 0.0045 0.0031 18 PRO 29 CG -0.0037 0.0059 0.0047 19 PRO 29 CD -0.0069 0.0031 0.0027 20 PRO 29 HA 0.0005 0.0016 0.0008 21 PRO 29 HB2 0.0019 0.0039 0.0026 22 PRO 29 HB3 0.0027 0.0060 0.0042 23 PRO 29 HG2 -0.0037 0.0073 0.0057 24 PRO 29 HG3 -0.0042 0.0075 0.0060 25 PRO 29 HD2 -0.0075 0.0023 0.0021 26 PRO 29 HD3 -0.0097 0.0039 0.0035 27 ASN 30 N 0.0025 -0.0051 -0.0000 28 ASN 30 CA 0.0023 -0.0049 -0.0003 29 ASN 30 C 0.0006 -0.0024 -0.0037 30 ASN 30 O -0.0020 0.0001 -0.0028 31 ASN 30 CB 0.0011 -0.0047 0.0039 32 ASN 30 CG 0.0008 -0.0044 0.0040 33 ASN 30 OD1 0.0029 -0.0067 0.0047 34 ASN 30 ND2 -0.0017 -0.0017 0.0036 35 ASN 30 H 0.0044 -0.0070 -0.0001 36 ASN 30 HA 0.0046 -0.0070 -0.0012 37 ASN 30 HB2 0.0026 -0.0067 0.0060 38 ASN 30 HB3 -0.0010 -0.0028 0.0048 39 ASN 30 HD21 -0.0034 -0.0000 0.0032 40 ASN 30 HD22 -0.0020 -0.0015 0.0036 41 ALA 31 N 0.0009 -0.0019 -0.0074 42 ALA 31 CA 0.0008 -0.0004 -0.0085 43 ALA 31 C 0.0018 -0.0009 -0.0099 44 ALA 31 O 0.0026 -0.0010 -0.0111 45 ALA 31 CB 0.0005 0.0008 -0.0091 46 ALA 31 H 0.0016 -0.0029 -0.0078 47 ALA 31 HA 0.0001 0.0001 -0.0078 48 ALA 31 HB1 0.0004 0.0019 -0.0098 49 ALA 31 HB2 0.0011 0.0003 -0.0097 50 ALA 31 HB3 -0.0003 0.0011 -0.0080 51 GLU 32 N 0.0009 -0.0005 -0.0062 52 GLU 32 CA 0.0005 -0.0001 -0.0053 53 GLU 32 C 0.0020 0.0014 -0.0040 54 GLU 32 O 0.0023 0.0020 -0.0033 55 GLU 32 CB -0.0018 -0.0003 -0.0044 56 GLU 32 CG -0.0025 0.0005 -0.0028 57 GLU 32 CD -0.0048 0.0003 -0.0019 58 GLU 32 OE1 -0.0052 0.0011 -0.0005 59 GLU 32 OE2 -0.0062 -0.0007 -0.0025 60 GLU 32 H -0.0001 -0.0006 -0.0057 61 GLU 32 HA 0.0009 -0.0007 -0.0065 62 GLU 32 HB2 -0.0020 0.0000 -0.0038 63 GLU 32 HB3 -0.0027 -0.0014 -0.0054 64 GLU 32 HG2 -0.0024 0.0002 -0.0034 65 GLU 32 HG3 -0.0015 0.0016 -0.0018 66 PHE 33 N 0.0013 0.0041 -0.0020 67 PHE 33 CA 0.0022 0.0048 -0.0013 68 PHE 33 C 0.0036 0.0043 -0.0016 69 PHE 33 O 0.0039 0.0033 -0.0025 70 PHE 33 CB 0.0015 0.0051 -0.0010 71 PHE 33 CG 0.0011 0.0043 -0.0019 72 PHE 33 CD1 0.0021 0.0038 -0.0023 73 PHE 33 CD2 -0.0003 0.0040 -0.0024 74 PHE 33 CE1 0.0017 0.0030 -0.0031 75 PHE 33 CE2 -0.0006 0.0032 -0.0033 76 PHE 33 CZ 0.0004 0.0027 -0.0036 77 PHE 33 H 0.0009 0.0036 -0.0026 78 PHE 33 HA 0.0023 0.0054 -0.0006 79 PHE 33 HB2 0.0022 0.0055 -0.0005 80 PHE 33 HB3 0.0005 0.0056 -0.0006 81 PHE 33 HD1 0.0031 0.0040 -0.0019 82 PHE 33 HD2 -0.0010 0.0043 -0.0021 83 PHE 33 HE1 0.0025 0.0026 -0.0034 84 PHE 33 HE2 -0.0017 0.0029 -0.0037 85 PHE 33 HZ 0.0001 0.0021 -0.0043 86 ASP 34 N 0.0027 0.0037 0.0000 87 ASP 34 CA 0.0039 0.0032 -0.0001 88 ASP 34 C 0.0046 0.0029 -0.0003 89 ASP 34 O 0.0045 0.0031 0.0003 90 ASP 34 CB 0.0044 0.0033 0.0010 91 ASP 34 CG 0.0056 0.0028 0.0008 92 ASP 34 OD1 0.0064 0.0025 0.0008 93 ASP 34 OD2 0.0057 0.0027 0.0006 94 ASP 34 H 0.0026 0.0039 0.0008 95 ASP 34 HA 0.0039 0.0030 -0.0009 96 ASP 34 HB2 0.0038 0.0035 0.0012 97 ASP 34 HB3 0.0045 0.0034 0.0017 98 PRO 35 N 0.0050 0.0031 -0.0026 99 PRO 35 CA 0.0063 0.0030 -0.0026 100 PRO 35 C 0.0078 0.0028 -0.0017 101 PRO 35 O 0.0090 0.0027 -0.0017 102 PRO 35 CB 0.0067 0.0029 -0.0044 103 PRO 35 CG 0.0064 0.0029 -0.0050 104 PRO 35 CD 0.0050 0.0031 -0.0040 105 PRO 35 HA 0.0059 0.0030 -0.0022 106 PRO 35 HB2 0.0079 0.0028 -0.0046 107 PRO 35 HB3 0.0058 0.0030 -0.0050 108 PRO 35 HG2 0.0075 0.0028 -0.0048 109 PRO 35 HG3 0.0061 0.0030 -0.0062 110 PRO 35 HD2 0.0052 0.0031 -0.0037 111 PRO 35 HD3 0.0039 0.0032 -0.0046 112 ASP 36 N 0.0062 0.0003 -0.0014 113 ASP 36 CA 0.0085 0.0009 -0.0002 114 ASP 36 C 0.0080 0.0030 0.0018 115 ASP 36 O 0.0089 0.0037 0.0028 116 ASP 36 CB 0.0109 0.0002 -0.0001 117 ASP 36 CG 0.0133 0.0008 0.0012 118 ASP 36 OD1 0.0143 -0.0001 0.0007 119 ASP 36 OD2 0.0142 0.0021 0.0028 120 ASP 36 H 0.0060 0.0005 -0.0013 121 ASP 36 HA 0.0087 0.0002 -0.0008 122 ASP 36 HB2 0.0113 -0.0014 -0.0015 123 ASP 36 HB3 0.0106 0.0008 0.0004 124 LEU 37 N 0.0040 0.0011 0.0037 125 LEU 37 CA 0.0039 0.0019 0.0041 126 LEU 37 C 0.0032 0.0023 0.0037 127 LEU 37 O 0.0026 0.0023 0.0032 128 LEU 37 CB 0.0040 0.0025 0.0046 129 LEU 37 CG 0.0047 0.0023 0.0053 130 LEU 37 CD1 0.0052 0.0023 0.0058 131 LEU 37 CD2 0.0051 0.0015 0.0050 132 LEU 37 H 0.0039 0.0011 0.0035 133 LEU 37 HA 0.0043 0.0018 0.0044 134 LEU 37 HB2 0.0037 0.0025 0.0043 135 LEU 37 HB3 0.0037 0.0031 0.0049 136 LEU 37 HG 0.0047 0.0028 0.0056 137 LEU 37 HD11 0.0058 0.0022 0.0062 138 LEU 37 HD12 0.0053 0.0019 0.0055 139 LEU 37 HD13 0.0050 0.0029 0.0060 140 LEU 37 HD21 0.0056 0.0014 0.0055 141 LEU 37 HD22 0.0048 0.0016 0.0047 142 LEU 37 HD23 0.0051 0.0010 0.0047 143 PRO 38 N 0.0009 0.0036 0.0031 144 PRO 38 CA -0.0011 0.0045 0.0037 145 PRO 38 C -0.0006 0.0038 0.0037 146 PRO 38 O 0.0012 0.0043 0.0028 147 PRO 38 CB -0.0014 0.0073 0.0031 148 PRO 38 CG -0.0002 0.0077 0.0024 149 PRO 38 CD 0.0018 0.0057 0.0022 150 PRO 38 HA -0.0027 0.0037 0.0046 151 PRO 38 HB2 -0.0006 0.0081 0.0025 152 PRO 38 HB3 -0.0033 0.0080 0.0036 153 PRO 38 HG2 0.0005 0.0095 0.0017 154 PRO 38 HG3 -0.0014 0.0076 0.0030 155 PRO 38 HD2 0.0034 0.0062 0.0014 156 PRO 38 HD3 0.0021 0.0052 0.0022 157 GLY 39 N -0.0024 0.0032 0.0054 158 GLY 39 CA -0.0011 0.0024 0.0054 159 GLY 39 C 0.0004 0.0010 0.0059 160 GLY 39 O 0.0019 0.0005 0.0055 161 GLY 39 H -0.0036 0.0032 0.0063 162 GLY 39 HA2 -0.0018 0.0022 0.0062 163 GLY 39 HA3 -0.0006 0.0031 0.0041 164 GLY 40 N 0.0012 0.0021 0.0046 165 GLY 40 CA 0.0015 0.0014 0.0044 166 GLY 40 C 0.0023 0.0017 0.0044 167 GLY 40 O 0.0026 0.0012 0.0043 168 GLY 40 H 0.0011 0.0021 0.0046 169 GLY 40 HA2 0.0016 0.0010 0.0044 170 GLY 40 HA3 0.0012 0.0013 0.0044 171 GLY 41 N 0.0027 0.0024 0.0047 172 GLY 41 CA 0.0036 0.0028 0.0048 173 GLY 41 C 0.0043 0.0035 0.0046 174 GLY 41 O 0.0051 0.0038 0.0047 175 GLY 41 H 0.0021 0.0025 0.0043 176 GLY 41 HA2 0.0033 0.0030 0.0045 177 GLY 41 HA3 0.0039 0.0023 0.0054 178 LEU 42 N 0.0030 0.0033 0.0044 179 LEU 42 CA 0.0030 0.0038 0.0043 180 LEU 42 C 0.0030 0.0039 0.0042 181 LEU 42 O 0.0030 0.0043 0.0042 182 LEU 42 CB 0.0030 0.0039 0.0040 183 LEU 42 CG 0.0030 0.0039 0.0040 184 LEU 42 CD1 0.0029 0.0040 0.0036 185 LEU 42 CD2 0.0030 0.0041 0.0045 186 LEU 42 H 0.0029 0.0031 0.0041 187 LEU 42 HA 0.0030 0.0039 0.0047 188 LEU 42 HB2 0.0029 0.0038 0.0036 189 LEU 42 HB3 0.0030 0.0043 0.0039 190 LEU 42 HG 0.0029 0.0035 0.0041 191 LEU 42 HD11 0.0030 0.0040 0.0037 192 LEU 42 HD12 0.0030 0.0044 0.0036 193 LEU 42 HD13 0.0029 0.0039 0.0033 194 LEU 42 HD21 0.0030 0.0044 0.0045 195 LEU 42 HD22 0.0030 0.0040 0.0045 196 LEU 42 HD23 0.0030 0.0039 0.0048 197 HIS 43 N 0.0040 0.0014 0.0010 198 HIS 43 CA 0.0040 0.0021 -0.0011 199 HIS 43 C 0.0030 0.0030 -0.0028 200 HIS 43 O 0.0009 0.0036 -0.0027 201 HIS 43 CB 0.0026 0.0025 -0.0009 202 HIS 43 CG 0.0033 0.0017 0.0010 203 HIS 43 ND1 0.0051 0.0012 0.0006 204 HIS 43 CD2 0.0024 0.0012 0.0031 205 HIS 43 CE1 0.0052 0.0006 0.0025 206 HIS 43 NE2 0.0036 0.0005 0.0040 207 HIS 43 H 0.0026 0.0016 0.0017 208 HIS 43 HA 0.0057 0.0018 -0.0017 209 HIS 43 HB2 0.0008 0.0029 -0.0006 210 HIS 43 HB3 0.0029 0.0029 -0.0024 211 HIS 43 HD1 0.0061 0.0014 -0.0007 212 HIS 43 HD2 0.0010 0.0013 0.0040 213 HIS 43 HE1 0.0064 0.0001 0.0027 214 HIS 43 HE2 0.0036 0.0000 0.0057 215 ARG 44 N 0.0071 0.0031 -0.0029 216 ARG 44 CA 0.0056 0.0024 -0.0034 217 ARG 44 C 0.0064 0.0024 -0.0053 218 ARG 44 O 0.0083 0.0031 -0.0057 219 ARG 44 CB 0.0054 0.0026 -0.0015 220 ARG 44 CG 0.0052 0.0029 0.0008 221 ARG 44 CD 0.0053 0.0032 0.0026 222 ARG 44 NE 0.0052 0.0035 0.0049 223 ARG 44 CZ 0.0050 0.0037 0.0067 224 ARG 44 NH1 0.0049 0.0036 0.0064 225 ARG 44 NH2 0.0049 0.0040 0.0087 226 ARG 44 H 0.0086 0.0037 -0.0027 227 ARG 44 HA 0.0041 0.0017 -0.0036 228 ARG 44 HB2 0.0068 0.0031 -0.0016 229 ARG 44 HB3 0.0041 0.0020 -0.0017 230 ARG 44 HG2 0.0037 0.0023 0.0010 231 ARG 44 HG3 0.0065 0.0034 0.0010 232 ARG 44 HD2 0.0067 0.0037 0.0023 233 ARG 44 HD3 0.0039 0.0026 0.0024 234 ARG 44 HE 0.0053 0.0036 0.0050 235 ARG 44 HH11 0.0050 0.0034 0.0049 236 ARG 44 HH12 0.0047 0.0038 0.0077 237 ARG 44 HH21 0.0049 0.0041 0.0090 238 ARG 44 HH22 0.0047 0.0041 0.0100 239 CYS 45 N 0.0036 -0.0006 -0.0071 240 CYS 45 CA 0.0036 -0.0007 -0.0072 241 CYS 45 C 0.0033 -0.0007 -0.0068 242 CYS 45 O 0.0030 -0.0010 -0.0066 243 CYS 45 CB 0.0035 -0.0011 -0.0076 244 CYS 45 SG 0.0034 -0.0012 -0.0077 245 CYS 45 H 0.0034 -0.0008 -0.0071 246 CYS 45 HA 0.0039 -0.0004 -0.0073 247 CYS 45 HB2 0.0038 -0.0010 -0.0079 248 CYS 45 HB3 0.0033 -0.0013 -0.0076 249 LEU 46 N 0.0080 -0.0022 -0.0067 250 LEU 46 CA 0.0070 -0.0020 -0.0066 251 LEU 46 C 0.0055 -0.0026 -0.0079 252 LEU 46 O 0.0040 -0.0023 -0.0076 253 LEU 46 CB 0.0082 -0.0021 -0.0065 254 LEU 46 CG 0.0097 -0.0015 -0.0051 255 LEU 46 CD1 0.0109 -0.0018 -0.0052 256 LEU 46 CD2 0.0088 -0.0006 -0.0035 257 LEU 46 H 0.0093 -0.0025 -0.0070 258 LEU 46 HA 0.0063 -0.0013 -0.0054 259 LEU 46 HB2 0.0089 -0.0028 -0.0076 260 LEU 46 HB3 0.0074 -0.0020 -0.0064 261 LEU 46 HG 0.0104 -0.0017 -0.0052 262 LEU 46 HD11 0.0116 -0.0024 -0.0063 263 LEU 46 HD12 0.0119 -0.0013 -0.0042 264 LEU 46 HD13 0.0102 -0.0017 -0.0052 265 LEU 46 HD21 0.0080 -0.0004 -0.0034 266 LEU 46 HD22 0.0080 -0.0004 -0.0034 267 LEU 46 HD23 0.0099 -0.0002 -0.0026 268 ALA 47 N 0.0046 -0.0076 -0.0045 269 ALA 47 CA 0.0048 -0.0077 -0.0041 270 ALA 47 C 0.0062 -0.0063 -0.0039 271 ALA 47 O 0.0065 -0.0061 -0.0039 272 ALA 47 CB 0.0047 -0.0091 -0.0025 273 ALA 47 H 0.0045 -0.0082 -0.0038 274 ALA 47 HA 0.0039 -0.0078 -0.0050 275 ALA 47 HB1 0.0048 -0.0092 -0.0023 276 ALA 47 HB2 0.0056 -0.0090 -0.0016 277 ALA 47 HB3 0.0037 -0.0101 -0.0027 278 CYS 48 N 0.0034 -0.0023 -0.0048 279 CYS 48 CA 0.0026 -0.0027 -0.0047 280 CYS 48 C 0.0023 -0.0028 -0.0039 281 CYS 48 O 0.0016 -0.0032 -0.0037 282 CYS 48 CB 0.0024 -0.0028 -0.0054 283 CYS 48 SG 0.0026 -0.0027 -0.0065 284 CYS 48 H 0.0038 -0.0021 -0.0046 285 CYS 48 HA 0.0023 -0.0028 -0.0049 286 CYS 48 HB2 0.0028 -0.0026 -0.0054 287 CYS 48 HB3 0.0018 -0.0031 -0.0054 288 ALA 49 N 0.0012 -0.0016 -0.0053 289 ALA 49 CA 0.0004 -0.0006 -0.0029 290 ALA 49 C 0.0001 -0.0005 -0.0026 291 ALA 49 O -0.0012 0.0000 -0.0009 292 ALA 49 CB -0.0020 -0.0009 -0.0021 293 ALA 49 H 0.0026 -0.0014 -0.0056 294 ALA 49 HA 0.0018 0.0003 -0.0020 295 ALA 49 HB1 -0.0034 -0.0018 -0.0030 296 ALA 49 HB2 -0.0017 -0.0009 -0.0024 297 ALA 49 HB3 -0.0025 -0.0001 -0.0004 298 ARG 50 N -0.0026 0.0003 -0.0024 299 ARG 50 CA -0.0008 0.0002 -0.0034 300 ARG 50 C 0.0022 0.0030 -0.0037 301 ARG 50 O 0.0038 0.0039 -0.0042 302 ARG 50 CB 0.0002 -0.0032 -0.0057 303 ARG 50 CG -0.0027 -0.0062 -0.0055 304 ARG 50 CD -0.0016 -0.0094 -0.0078 305 ARG 50 NE -0.0043 -0.0124 -0.0077 306 ARG 50 CZ -0.0040 -0.0156 -0.0094 307 ARG 50 NH1 -0.0010 -0.0163 -0.0115 308 ARG 50 NH2 -0.0066 -0.0181 -0.0092 309 ARG 50 H -0.0018 -0.0005 -0.0032 310 ARG 50 HA -0.0023 0.0007 -0.0023 311 ARG 50 HB2 0.0017 -0.0036 -0.0067 312 ARG 50 HB3 0.0017 -0.0029 -0.0064 313 ARG 50 HG2 -0.0042 -0.0057 -0.0045 314 ARG 50 HG3 -0.0042 -0.0064 -0.0048 315 ARG 50 HD2 -0.0000 -0.0098 -0.0088 316 ARG 50 HD3 -0.0001 -0.0092 -0.0084 317 ARG 50 HE -0.0065 -0.0118 -0.0062 318 ARG 50 HH11 0.0010 -0.0144 -0.0117 319 ARG 50 HH12 -0.0007 -0.0186 -0.0128 320 ARG 50 HH21 -0.0089 -0.0177 -0.0077 321 ARG 50 HH22 -0.0064 -0.0205 -0.0105 322 TYR 51 N 0.0006 0.0041 -0.0021 323 TYR 51 CA 0.0013 0.0043 -0.0015 324 TYR 51 C 0.0004 0.0042 -0.0029 325 TYR 51 O -0.0013 0.0035 -0.0033 326 TYR 51 CB 0.0007 0.0036 0.0006 327 TYR 51 CG 0.0014 0.0036 0.0020 328 TYR 51 CD1 0.0004 0.0031 0.0023 329 TYR 51 CD2 0.0031 0.0042 0.0031 330 TYR 51 CE1 0.0010 0.0031 0.0036 331 TYR 51 CE2 0.0037 0.0042 0.0044 332 TYR 51 CZ 0.0027 0.0036 0.0047 333 TYR 51 OH 0.0033 0.0036 0.0060 334 TYR 51 H -0.0006 0.0035 -0.0019 335 TYR 51 HA 0.0027 0.0050 -0.0015 336 TYR 51 HB2 -0.0007 0.0029 0.0005 337 TYR 51 HB3 0.0013 0.0037 0.0011 338 TYR 51 HD1 -0.0009 0.0026 0.0015 339 TYR 51 HD2 0.0040 0.0046 0.0029 340 TYR 51 HE1 0.0002 0.0026 0.0038 341 TYR 51 HE2 0.0051 0.0046 0.0053 342 TYR 51 HH 0.0022 0.0030 0.0067 343 PHE 52 N -0.0019 0.0036 -0.0046 344 PHE 52 CA -0.0020 0.0035 -0.0054 345 PHE 52 C -0.0013 0.0038 -0.0041 346 PHE 52 O 0.0000 0.0041 -0.0030 347 PHE 52 CB -0.0008 0.0035 -0.0072 348 PHE 52 CG -0.0014 0.0033 -0.0087 349 PHE 52 CD1 -0.0009 0.0034 -0.0087 350 PHE 52 CD2 -0.0025 0.0029 -0.0102 351 PHE 52 CE1 -0.0014 0.0031 -0.0100 352 PHE 52 CE2 -0.0031 0.0027 -0.0115 353 PHE 52 CZ -0.0025 0.0028 -0.0114 354 PHE 52 H -0.0007 0.0039 -0.0043 355 PHE 52 HA -0.0034 0.0032 -0.0058 356 PHE 52 HB2 0.0006 0.0038 -0.0069 357 PHE 52 HB3 -0.0008 0.0035 -0.0078 358 PHE 52 HD1 0.0000 0.0036 -0.0075 359 PHE 52 HD2 -0.0030 0.0028 -0.0102 360 PHE 52 HE1 -0.0010 0.0032 -0.0099 361 PHE 52 HE2 -0.0040 0.0024 -0.0126 362 PHE 52 HZ -0.0030 0.0026 -0.0125 363 ILE 53 N -0.0088 0.0102 -0.0013 364 ILE 53 CA -0.0105 0.0064 0.0059 365 ILE 53 C -0.0065 0.0021 0.0077 366 ILE 53 O -0.0052 -0.0026 0.0129 367 ILE 53 CB -0.0179 0.0097 0.0094 368 ILE 53 CG1 -0.0199 0.0134 0.0063 369 ILE 53 CG2 -0.0219 0.0131 0.0090 370 ILE 53 CD1 -0.0270 0.0167 0.0095 371 ILE 53 H -0.0123 0.0142 -0.0031 372 ILE 53 HA -0.0095 0.0042 0.0080 373 ILE 53 HB -0.0187 0.0066 0.0147 374 ILE 53 HG12 -0.0190 0.0165 0.0010 375 ILE 53 HG13 -0.0170 0.0108 0.0068 376 ILE 53 HG21 -0.0209 0.0160 0.0038 377 ILE 53 HG22 -0.0207 0.0103 0.0116 378 ILE 53 HG23 -0.0271 0.0154 0.0114 379 ILE 53 HD11 -0.0281 0.0137 0.0148 380 ILE 53 HD12 -0.0281 0.0192 0.0070 381 ILE 53 HD13 -0.0301 0.0193 0.0091 382 ASP 54 N -0.0059 0.0049 -0.0001 383 ASP 54 CA -0.0032 0.0040 0.0001 384 ASP 54 C -0.0010 0.0040 -0.0032 385 ASP 54 O -0.0022 0.0051 -0.0058 386 ASP 54 CB -0.0046 0.0042 0.0008 387 ASP 54 CG -0.0019 0.0032 0.0013 388 ASP 54 OD1 -0.0008 0.0022 0.0041 389 ASP 54 OD2 -0.0009 0.0035 -0.0012 390 ASP 54 H -0.0068 0.0057 -0.0023 391 ASP 54 HA -0.0018 0.0030 0.0022 392 ASP 54 HB2 -0.0062 0.0042 0.0031 393 ASP 54 HB3 -0.0059 0.0052 -0.0013 394 SER 55 N -0.0020 0.0039 -0.0056 395 SER 55 CA -0.0015 0.0036 -0.0064 396 SER 55 C -0.0015 0.0032 -0.0075 397 SER 55 O -0.0016 0.0029 -0.0083 398 SER 55 CB -0.0002 0.0037 -0.0061 399 SER 55 OG 0.0004 0.0034 -0.0069 400 SER 55 H -0.0015 0.0041 -0.0050 401 SER 55 HA -0.0019 0.0035 -0.0065 402 SER 55 HB2 -0.0003 0.0039 -0.0054 403 SER 55 HB3 0.0002 0.0038 -0.0059 404 SER 55 HG 0.0007 0.0032 -0.0073 405 THR 56 N -0.0025 0.0043 -0.0082 406 THR 56 CA -0.0022 0.0033 -0.0097 407 THR 56 C -0.0034 0.0016 -0.0096 408 THR 56 O -0.0035 0.0008 -0.0102 409 THR 56 CB -0.0014 0.0032 -0.0109 410 THR 56 OG1 -0.0003 0.0048 -0.0108 411 THR 56 CG2 -0.0009 0.0023 -0.0125 412 THR 56 H -0.0022 0.0048 -0.0081 413 THR 56 HA -0.0017 0.0036 -0.0101 414 THR 56 HB -0.0019 0.0027 -0.0105 415 THR 56 HG1 -0.0006 0.0052 -0.0100 416 THR 56 HG21 -0.0003 0.0022 -0.0133 417 THR 56 HG22 -0.0003 0.0027 -0.0128 418 THR 56 HG23 -0.0017 0.0011 -0.0125 419 ASN 57 N -0.0033 0.0032 -0.0102 420 ASN 57 CA -0.0051 0.0027 -0.0107 421 ASN 57 C -0.0046 0.0029 -0.0110 422 ASN 57 O -0.0055 0.0026 -0.0124 423 ASN 57 CB -0.0067 0.0023 -0.0090 424 ASN 57 CG -0.0080 0.0020 -0.0093 425 ASN 57 OD1 -0.0095 0.0016 -0.0103 426 ASN 57 ND2 -0.0073 0.0022 -0.0083 427 ASN 57 H -0.0032 0.0032 -0.0087 428 ASN 57 HA -0.0057 0.0026 -0.0122 429 ASN 57 HB2 -0.0060 0.0025 -0.0075 430 ASN 57 HB3 -0.0077 0.0021 -0.0090 431 ASN 57 HD21 -0.0061 0.0025 -0.0075 432 ASN 57 HD22 -0.0081 0.0020 -0.0085 433 LEU 58 N -0.0017 0.0017 -0.0098 434 LEU 58 CA -0.0012 0.0018 -0.0099 435 LEU 58 C -0.0012 0.0021 -0.0101 436 LEU 58 O -0.0010 0.0025 -0.0102 437 LEU 58 CB -0.0009 0.0013 -0.0099 438 LEU 58 CG -0.0004 0.0014 -0.0100 439 LEU 58 CD1 -0.0004 0.0015 -0.0100 440 LEU 58 CD2 -0.0002 0.0017 -0.0101 441 LEU 58 H -0.0018 0.0014 -0.0097 442 LEU 58 HA -0.0011 0.0019 -0.0100 443 LEU 58 HB2 -0.0010 0.0011 -0.0098 444 LEU 58 HB3 -0.0011 0.0012 -0.0098 445 LEU 58 HG -0.0003 0.0011 -0.0099 446 LEU 58 HD11 -0.0000 0.0015 -0.0101 447 LEU 58 HD12 -0.0006 0.0018 -0.0101 448 LEU 58 HD13 -0.0005 0.0013 -0.0099 449 LEU 58 HD21 -0.0004 0.0020 -0.0102 450 LEU 58 HD22 0.0001 0.0017 -0.0102 451 LEU 58 HD23 -0.0003 0.0016 -0.0101 452 LYS 59 N -0.0034 -0.0001 -0.0081 453 LYS 59 CA -0.0049 -0.0010 -0.0056 454 LYS 59 C -0.0035 0.0004 -0.0028 455 LYS 59 O -0.0038 0.0003 -0.0012 456 LYS 59 CB -0.0073 -0.0028 -0.0048 457 LYS 59 CG -0.0071 -0.0025 -0.0035 458 LYS 59 CD -0.0095 -0.0044 -0.0030 459 LYS 59 CE -0.0112 -0.0055 -0.0006 460 LYS 59 NZ -0.0103 -0.0044 0.0025 461 LYS 59 H -0.0038 -0.0005 -0.0089 462 LYS 59 HA -0.0053 -0.0014 -0.0065 463 LYS 59 HB2 -0.0084 -0.0035 -0.0032 464 LYS 59 HB3 -0.0083 -0.0038 -0.0069 465 LYS 59 HG2 -0.0059 -0.0018 -0.0051 466 LYS 59 HG3 -0.0063 -0.0017 -0.0014 467 LYS 59 HD2 -0.0104 -0.0053 -0.0052 468 LYS 59 HD3 -0.0093 -0.0041 -0.0024 469 LYS 59 HE2 -0.0115 -0.0057 -0.0012 470 LYS 59 HE3 -0.0130 -0.0068 -0.0005 471 LYS 59 HZ1 -0.0102 -0.0042 0.0032 472 LYS 59 HZ2 -0.0115 -0.0052 0.0040 473 LYS 59 HZ3 -0.0086 -0.0031 0.0026 474 THR 60 N -0.0064 -0.0006 -0.0058 475 THR 60 CA -0.0059 -0.0007 -0.0053 476 THR 60 C -0.0046 -0.0010 -0.0039 477 THR 60 O -0.0042 -0.0006 -0.0029 478 THR 60 CB -0.0057 -0.0016 -0.0065 479 THR 60 OG1 -0.0070 -0.0014 -0.0077 480 THR 60 CG2 -0.0051 -0.0018 -0.0059 481 THR 60 H -0.0065 -0.0012 -0.0068 482 THR 60 HA -0.0066 0.0001 -0.0049 483 THR 60 HB -0.0050 -0.0024 -0.0069 484 THR 60 HG1 -0.0072 -0.0015 -0.0082 485 THR 60 HG21 -0.0050 -0.0024 -0.0068 486 THR 60 HG22 -0.0058 -0.0009 -0.0055 487 THR 60 HG23 -0.0042 -0.0020 -0.0051 488 HIS 61 N -0.0026 -0.0015 -0.0060 489 HIS 61 CA -0.0014 -0.0017 -0.0052 490 HIS 61 C -0.0020 -0.0011 -0.0036 491 HIS 61 O -0.0011 -0.0010 -0.0024 492 HIS 61 CB -0.0007 -0.0022 -0.0064 493 HIS 61 CG 0.0000 -0.0022 -0.0055 494 HIS 61 ND1 0.0015 -0.0024 -0.0046 495 HIS 61 CD2 -0.0006 -0.0020 -0.0053 496 HIS 61 CE1 0.0018 -0.0023 -0.0040 497 HIS 61 NE2 0.0006 -0.0021 -0.0044 498 HIS 61 H -0.0030 -0.0017 -0.0072 499 HIS 61 HA -0.0004 -0.0019 -0.0048 500 HIS 61 HB2 0.0002 -0.0027 -0.0071 501 HIS 61 HB3 -0.0017 -0.0021 -0.0072 502 HIS 61 HD1 0.0023 -0.0026 -0.0045 503 HIS 61 HD2 -0.0017 -0.0018 -0.0059 504 HIS 61 HE1 0.0028 -0.0024 -0.0031 505 PHE 62 N -0.0012 -0.0009 0.0009 506 PHE 62 CA -0.0015 -0.0003 0.0019 507 PHE 62 C -0.0020 0.0004 0.0031 508 PHE 62 O -0.0024 0.0009 0.0041 509 PHE 62 CB -0.0027 -0.0004 0.0015 510 PHE 62 CG -0.0025 -0.0011 0.0002 511 PHE 62 CD1 -0.0012 -0.0014 -0.0001 512 PHE 62 CD2 -0.0036 -0.0015 -0.0008 513 PHE 62 CE1 -0.0011 -0.0020 -0.0013 514 PHE 62 CE2 -0.0035 -0.0022 -0.0019 515 PHE 62 CZ -0.0022 -0.0024 -0.0022 516 PHE 62 H -0.0020 -0.0012 0.0002 517 PHE 62 HA -0.0005 -0.0003 0.0021 518 PHE 62 HB2 -0.0038 -0.0003 0.0015 519 PHE 62 HB3 -0.0026 -0.0001 0.0022 520 PHE 62 HD1 -0.0003 -0.0011 0.0007 521 PHE 62 HD2 -0.0046 -0.0014 -0.0006 522 PHE 62 HE1 -0.0000 -0.0022 -0.0014 523 PHE 62 HE2 -0.0044 -0.0025 -0.0027 524 PHE 62 HZ -0.0021 -0.0030 -0.0032 525 ARG 63 N -0.0033 0.0027 -0.0016 526 ARG 63 CA -0.0052 0.0061 0.0025 527 ARG 63 C -0.0015 0.0105 0.0034 528 ARG 63 O -0.0025 0.0138 0.0068 529 ARG 63 CB -0.0082 0.0063 0.0049 530 ARG 63 CG -0.0124 0.0022 0.0047 531 ARG 63 CD -0.0153 0.0025 0.0070 532 ARG 63 NE -0.0166 0.0063 0.0111 533 ARG 63 CZ -0.0197 0.0070 0.0139 534 ARG 63 NH1 -0.0220 0.0040 0.0132 535 ARG 63 NH2 -0.0205 0.0106 0.0175 536 ARG 63 H -0.0031 0.0017 -0.0026 537 ARG 63 HA -0.0073 0.0051 0.0032 538 ARG 63 HB2 -0.0063 0.0068 0.0039 539 ARG 63 HB3 -0.0092 0.0090 0.0079 540 ARG 63 HG2 -0.0144 0.0018 0.0058 541 ARG 63 HG3 -0.0114 -0.0006 0.0017 542 ARG 63 HD2 -0.0183 -0.0004 0.0069 543 ARG 63 HD3 -0.0134 0.0028 0.0059 544 ARG 63 HE -0.0150 0.0085 0.0117 545 ARG 63 HH11 -0.0215 0.0012 0.0106 546 ARG 63 HH12 -0.0243 0.0045 0.0153 547 ARG 63 HH21 -0.0188 0.0129 0.0181 548 ARG 63 HH22 -0.0227 0.0113 0.0197 549 SER 64 N -0.0042 0.0015 0.0089 550 SER 64 CA -0.0036 0.0016 0.0096 551 SER 64 C -0.0043 0.0015 0.0100 552 SER 64 O -0.0047 0.0014 0.0094 553 SER 64 CB -0.0027 0.0017 0.0088 554 SER 64 OG -0.0022 0.0018 0.0081 555 SER 64 H -0.0042 0.0014 0.0082 556 SER 64 HA -0.0031 0.0017 0.0102 557 SER 64 HB2 -0.0032 0.0016 0.0083 558 SER 64 HB3 -0.0022 0.0018 0.0093 559 SER 64 HG -0.0017 0.0019 0.0086 560 LYS 65 N -0.0050 0.0012 0.0140 561 LYS 65 CA -0.0036 -0.0009 0.0115 562 LYS 65 C -0.0052 -0.0006 0.0090 563 LYS 65 O -0.0040 -0.0020 0.0077 564 LYS 65 CB -0.0024 -0.0025 0.0099 565 LYS 65 CG -0.0044 -0.0014 0.0086 566 LYS 65 CD -0.0067 -0.0008 0.0057 567 LYS 65 CE -0.0086 0.0002 0.0046 568 LYS 65 NZ -0.0110 0.0010 0.0019 569 LYS 65 H -0.0054 0.0016 0.0143 570 LYS 65 HA -0.0018 -0.0018 0.0128 571 LYS 65 HB2 -0.0016 -0.0039 0.0078 572 LYS 65 HB3 -0.0006 -0.0031 0.0116 573 LYS 65 HG2 -0.0032 -0.0026 0.0077 574 LYS 65 HG3 -0.0053 -0.0000 0.0105 575 LYS 65 HD2 -0.0079 0.0004 0.0065 576 LYS 65 HD3 -0.0058 -0.0022 0.0038 577 LYS 65 HE2 -0.0075 -0.0010 0.0036 578 LYS 65 HE3 -0.0094 0.0016 0.0066 579 LYS 65 HZ1 -0.0104 -0.0002 -0.0001 580 LYS 65 HZ2 -0.0123 0.0023 0.0027 581 LYS 65 HZ3 -0.0123 0.0017 0.0011 582 ASP 66 N -0.0046 -0.0003 0.0091 583 ASP 66 CA -0.0085 0.0006 0.0041 584 ASP 66 C -0.0081 0.0014 0.0077 585 ASP 66 O -0.0084 0.0005 0.0039 586 ASP 66 CB -0.0158 0.0043 0.0022 587 ASP 66 CG -0.0197 0.0048 -0.0040 588 ASP 66 OD1 -0.0198 0.0030 -0.0107 589 ASP 66 OD2 -0.0230 0.0072 -0.0024 590 ASP 66 H -0.0070 0.0018 0.0116 591 ASP 66 HA -0.0062 -0.0022 -0.0010 592 ASP 66 HB2 -0.0158 0.0038 0.0006 593 ASP 66 HB3 -0.0182 0.0071 0.0072 594 HIS 67 N -0.0029 -0.0001 0.0110 595 HIS 67 CA -0.0027 -0.0010 0.0099 596 HIS 67 C -0.0032 -0.0020 0.0095 597 HIS 67 O -0.0027 -0.0023 0.0086 598 HIS 67 CB -0.0031 -0.0014 0.0100 599 HIS 67 CG -0.0029 -0.0022 0.0089 600 HIS 67 ND1 -0.0020 -0.0022 0.0079 601 HIS 67 CD2 -0.0033 -0.0029 0.0088 602 HIS 67 CE1 -0.0019 -0.0027 0.0072 603 HIS 67 NE2 -0.0026 -0.0031 0.0077 604 HIS 67 H -0.0033 0.0001 0.0117 605 HIS 67 HA -0.0019 -0.0006 0.0092 606 HIS 67 HB2 -0.0028 -0.0007 0.0102 607 HIS 67 HB3 -0.0039 -0.0019 0.0106 608 HIS 67 HD1 -0.0016 -0.0018 0.0076 609 HIS 67 HD2 -0.0041 -0.0032 0.0095 610 HIS 67 HE1 -0.0013 -0.0028 0.0063 611 LYS 68 N -0.0004 -0.0033 0.0079 612 LYS 68 CA 0.0012 -0.0019 0.0083 613 LYS 68 C 0.0024 -0.0006 0.0082 614 LYS 68 O 0.0040 0.0003 0.0092 615 LYS 68 CB 0.0008 -0.0011 0.0068 616 LYS 68 CG -0.0005 -0.0026 0.0068 617 LYS 68 CD -0.0009 -0.0017 0.0053 618 LYS 68 CE -0.0017 -0.0008 0.0032 619 LYS 68 NZ -0.0022 0.0000 0.0017 620 LYS 68 H -0.0014 -0.0034 0.0066 621 LYS 68 HA 0.0018 -0.0026 0.0097 622 LYS 68 HB2 0.0003 -0.0004 0.0054 623 LYS 68 HB3 0.0020 -0.0002 0.0072 624 LYS 68 HG2 -0.0002 -0.0034 0.0082 625 LYS 68 HG3 -0.0017 -0.0035 0.0064 626 LYS 68 HD2 0.0002 -0.0007 0.0056 627 LYS 68 HD3 -0.0018 -0.0027 0.0053 628 LYS 68 HE2 -0.0028 -0.0018 0.0030 629 LYS 68 HE3 -0.0008 0.0003 0.0032 630 LYS 68 HZ1 -0.0011 0.0010 0.0020 631 LYS 68 HZ2 -0.0027 0.0006 0.0004 632 LYS 68 HZ3 -0.0031 -0.0010 0.0018 633 LYS 69 N 0.0058 -0.0057 0.0154 634 LYS 69 CA 0.0052 -0.0072 0.0066 635 LYS 69 C 0.0015 -0.0059 0.0071 636 LYS 69 O 0.0048 -0.0077 0.0032 637 LYS 69 CB -0.0007 -0.0064 0.0011 638 LYS 69 CG -0.0045 -0.0068 -0.0075 639 LYS 69 CD -0.0110 -0.0054 -0.0112 640 LYS 69 CE -0.0159 -0.0054 -0.0196 641 LYS 69 NZ -0.0223 -0.0039 -0.0222 642 LYS 69 H 0.0028 -0.0046 0.0163 643 LYS 69 HA 0.0114 -0.0097 0.0038 644 LYS 69 HB2 0.0028 -0.0078 -0.0005 645 LYS 69 HB3 -0.0060 -0.0039 0.0051 646 LYS 69 HG2 -0.0076 -0.0055 -0.0058 647 LYS 69 HG3 0.0005 -0.0093 -0.0121 648 LYS 69 HD2 -0.0074 -0.0068 -0.0126 649 LYS 69 HD3 -0.0154 -0.0030 -0.0061 650 LYS 69 HE2 -0.0192 -0.0042 -0.0185 651 LYS 69 HE3 -0.0115 -0.0079 -0.0249 652 LYS 69 HZ1 -0.0261 -0.0038 -0.0279 653 LYS 69 HZ2 -0.0264 -0.0016 -0.0170 654 LYS 69 HZ3 -0.0192 -0.0050 -0.0231 655 ARG 70 N -0.0008 -0.0074 0.0032 656 ARG 70 CA -0.0017 -0.0063 0.0006 657 ARG 70 C 0.0019 -0.0101 0.0024 658 ARG 70 O 0.0031 -0.0110 -0.0012 659 ARG 70 CB -0.0062 -0.0018 0.0030 660 ARG 70 CG -0.0075 -0.0002 0.0000 661 ARG 70 CD -0.0076 0.0005 -0.0071 662 ARG 70 NE -0.0087 0.0018 -0.0101 663 ARG 70 CZ -0.0072 0.0009 -0.0159 664 ARG 70 NH1 -0.0046 -0.0015 -0.0194 665 ARG 70 NH2 -0.0085 0.0023 -0.0183 666 ARG 70 H -0.0027 -0.0057 0.0066 667 ARG 70 HA -0.0016 -0.0059 -0.0044 668 ARG 70 HB2 -0.0086 0.0007 0.0024 669 ARG 70 HB3 -0.0060 -0.0024 0.0080 670 ARG 70 HG2 -0.0108 0.0030 0.0019 671 ARG 70 HG3 -0.0052 -0.0027 0.0011 672 ARG 70 HD2 -0.0044 -0.0027 -0.0089 673 ARG 70 HD3 -0.0100 0.0030 -0.0081 674 ARG 70 HE -0.0106 0.0036 -0.0076 675 ARG 70 HH11 -0.0036 -0.0027 -0.0178 676 ARG 70 HH12 -0.0035 -0.0023 -0.0237 677 ARG 70 HH21 -0.0104 0.0041 -0.0158 678 ARG 70 HH22 -0.0075 0.0017 -0.0226 679 LEU 71 N 0.0029 -0.0082 0.0031 680 LEU 71 CA 0.0032 -0.0094 0.0031 681 LEU 71 C 0.0036 -0.0098 0.0026 682 LEU 71 O 0.0042 -0.0105 0.0021 683 LEU 71 CB 0.0026 -0.0099 0.0041 684 LEU 71 CG 0.0020 -0.0096 0.0046 685 LEU 71 CD1 0.0015 -0.0103 0.0055 686 LEU 71 CD2 0.0024 -0.0096 0.0042 687 LEU 71 H 0.0024 -0.0080 0.0037 688 LEU 71 HA 0.0035 -0.0095 0.0028 689 LEU 71 HB2 0.0023 -0.0099 0.0044 690 LEU 71 HB3 0.0028 -0.0108 0.0040 691 LEU 71 HG 0.0018 -0.0087 0.0048 692 LEU 71 HD11 0.0018 -0.0111 0.0054 693 LEU 71 HD12 0.0012 -0.0102 0.0059 694 LEU 71 HD13 0.0011 -0.0100 0.0059 695 LEU 71 HD21 0.0027 -0.0090 0.0036 696 LEU 71 HD22 0.0027 -0.0104 0.0040 697 LEU 71 HD23 0.0020 -0.0093 0.0046 698 LYS 72 N 0.0071 -0.0080 -0.0024 699 LYS 72 CA 0.0005 -0.0138 -0.0001 700 LYS 72 C -0.0019 -0.0141 -0.0029 701 LYS 72 O -0.0084 -0.0172 -0.0059 702 LYS 72 CB 0.0019 -0.0174 0.0090 703 LYS 72 CG -0.0047 -0.0236 0.0121 704 LYS 72 CD -0.0031 -0.0268 0.0210 705 LYS 72 CE -0.0097 -0.0330 0.0241 706 LYS 72 NZ -0.0082 -0.0363 0.0328 707 LYS 72 H 0.0116 -0.0069 0.0018 708 LYS 72 HA -0.0037 -0.0153 -0.0029 709 LYS 72 HB2 0.0037 -0.0170 0.0108 710 LYS 72 HB3 0.0061 -0.0157 0.0117 711 LYS 72 HG2 -0.0063 -0.0240 0.0108 712 LYS 72 HG3 -0.0092 -0.0252 0.0092 713 LYS 72 HD2 -0.0014 -0.0263 0.0223 714 LYS 72 HD3 0.0013 -0.0252 0.0239 715 LYS 72 HE2 -0.0111 -0.0335 0.0230 716 LYS 72 HE3 -0.0141 -0.0346 0.0210 717 LYS 72 HZ1 -0.0040 -0.0349 0.0360 718 LYS 72 HZ2 -0.0068 -0.0360 0.0340 719 LYS 72 HZ3 -0.0128 -0.0406 0.0348 720 GLN 73 N 0.0095 -0.0130 -0.0048 721 GLN 73 CA 0.0097 -0.0118 -0.0091 722 GLN 73 C 0.0107 -0.0130 -0.0075 723 GLN 73 O 0.0133 -0.0139 -0.0103 724 GLN 73 CB 0.0052 -0.0081 -0.0112 725 GLN 73 CG 0.0040 -0.0067 -0.0132 726 GLN 73 CD -0.0006 -0.0031 -0.0150 727 GLN 73 OE1 -0.0036 -0.0016 -0.0130 728 GLN 73 NE2 -0.0011 -0.0016 -0.0188 729 GLN 73 H 0.0067 -0.0115 -0.0033 730 GLN 73 HA 0.0123 -0.0126 -0.0122 731 GLN 73 HB2 0.0026 -0.0073 -0.0081 732 GLN 73 HB3 0.0054 -0.0073 -0.0143 733 GLN 73 HG2 0.0065 -0.0074 -0.0165 734 GLN 73 HG3 0.0039 -0.0075 -0.0102 735 GLN 73 HE21 0.0015 -0.0029 -0.0203 736 GLN 73 HE22 -0.0040 0.0007 -0.0201 737 LEU 74 N 0.0126 -0.0105 -0.0024 738 LEU 74 CA 0.0147 -0.0138 0.0001 739 LEU 74 C 0.0182 -0.0162 0.0017 740 LEU 74 O 0.0209 -0.0187 0.0035 741 LEU 74 CB 0.0107 -0.0162 0.0023 742 LEU 74 CG 0.0123 -0.0197 0.0049 743 LEU 74 CD1 0.0152 -0.0185 0.0038 744 LEU 74 CD2 0.0078 -0.0218 0.0069 745 LEU 74 H 0.0093 -0.0105 -0.0022 746 LEU 74 HA 0.0169 -0.0129 -0.0008 747 LEU 74 HB2 0.0082 -0.0144 0.0010 748 LEU 74 HB3 0.0089 -0.0172 0.0032 749 LEU 74 HG 0.0145 -0.0216 0.0063 750 LEU 74 HD11 0.0161 -0.0210 0.0057 751 LEU 74 HD12 0.0130 -0.0165 0.0024 752 LEU 74 HD13 0.0184 -0.0172 0.0025 753 LEU 74 HD21 0.0055 -0.0199 0.0056 754 LEU 74 HD22 0.0090 -0.0242 0.0088 755 LEU 74 HD23 0.0059 -0.0227 0.0078 756 SER 75 N 0.0133 -0.0141 0.0031 757 SER 75 CA 0.0156 -0.0130 0.0039 758 SER 75 C 0.0124 -0.0202 0.0047 759 SER 75 O 0.0150 -0.0215 0.0066 760 SER 75 CB 0.0240 -0.0109 0.0080 761 SER 75 OG 0.0263 -0.0093 0.0087 762 SER 75 H 0.0095 -0.0114 -0.0000 763 SER 75 HA 0.0131 -0.0082 0.0009 764 SER 75 HB2 0.0258 -0.0058 0.0072 765 SER 75 HB3 0.0264 -0.0157 0.0110 766 SER 75 HG 0.0299 -0.0046 0.0091 767 VAL 76 N 0.0081 -0.0166 0.0004 768 VAL 76 CA 0.0072 -0.0183 -0.0003 769 VAL 76 C 0.0054 -0.0182 -0.0007 770 VAL 76 O 0.0053 -0.0193 -0.0010 771 VAL 76 CB 0.0067 -0.0189 -0.0006 772 VAL 76 CG1 0.0057 -0.0206 -0.0013 773 VAL 76 CG2 0.0084 -0.0190 -0.0003 774 VAL 76 H 0.0082 -0.0159 0.0006 775 VAL 76 HA 0.0081 -0.0194 -0.0004 776 VAL 76 HB 0.0057 -0.0178 -0.0005 777 VAL 76 HG11 0.0054 -0.0210 -0.0015 778 VAL 76 HG12 0.0066 -0.0217 -0.0015 779 VAL 76 HG13 0.0045 -0.0205 -0.0016 780 VAL 76 HG21 0.0080 -0.0193 -0.0005 781 VAL 76 HG22 0.0090 -0.0177 0.0003 782 VAL 76 HG23 0.0093 -0.0200 -0.0004 783 GLU 77 N 0.0037 -0.0084 -0.0022 784 GLU 77 CA 0.0022 -0.0086 -0.0021 785 GLU 77 C 0.0015 -0.0084 -0.0003 786 GLU 77 O 0.0021 -0.0081 0.0007 787 GLU 77 CB 0.0024 -0.0087 -0.0028 788 GLU 77 CG 0.0038 -0.0084 -0.0021 789 GLU 77 CD 0.0039 -0.0085 -0.0028 790 GLU 77 OE1 0.0043 -0.0087 -0.0042 791 GLU 77 OE2 0.0034 -0.0084 -0.0019 792 GLU 77 H 0.0044 -0.0082 -0.0013 793 GLU 77 HA 0.0013 -0.0089 -0.0028 794 GLU 77 HB2 0.0013 -0.0088 -0.0024 795 GLU 77 HB3 0.0025 -0.0090 -0.0041 796 GLU 77 HG2 0.0049 -0.0083 -0.0025 797 GLU 77 HG3 0.0037 -0.0082 -0.0008 798 PRO 78 N -0.0056 -0.0016 -0.0019 799 PRO 78 CA -0.0085 0.0000 0.0031 800 PRO 78 C -0.0109 0.0019 -0.0015 801 PRO 78 O -0.0144 0.0045 -0.0067 802 PRO 78 CB -0.0140 0.0034 0.0070 803 PRO 78 CG -0.0126 0.0025 0.0056 804 PRO 78 CD -0.0090 0.0006 -0.0017 805 PRO 78 HA -0.0052 -0.0024 0.0072 806 PRO 78 HB2 -0.0184 0.0064 0.0045 807 PRO 78 HB3 -0.0142 0.0032 0.0129 808 PRO 78 HG2 -0.0169 0.0054 0.0054 809 PRO 78 HG3 -0.0098 0.0004 0.0101 810 PRO 78 HD2 -0.0122 0.0030 -0.0063 811 PRO 78 HD3 -0.0058 -0.0015 -0.0018 812 TYR 79 N -0.0088 0.0037 0.0035 813 TYR 79 CA -0.0014 0.0056 -0.0042 814 TYR 79 C 0.0091 0.0094 -0.0163 815 TYR 79 O 0.0064 0.0201 -0.0250 816 TYR 79 CB -0.0107 0.0144 -0.0057 817 TYR 79 CG -0.0198 0.0098 0.0061 818 TYR 79 CD1 -0.0323 0.0124 0.0134 819 TYR 79 CD2 -0.0157 0.0028 0.0099 820 TYR 79 CE1 -0.0405 0.0081 0.0242 821 TYR 79 CE2 -0.0238 -0.0015 0.0206 822 TYR 79 CZ -0.0362 0.0012 0.0278 823 TYR 79 OH -0.0444 -0.0032 0.0387 824 TYR 79 H -0.0072 -0.0046 0.0107 825 TYR 79 HA 0.0041 -0.0032 0.0002 826 TYR 79 HB2 -0.0169 0.0230 -0.0094 827 TYR 79 HB3 -0.0045 0.0156 -0.0119 828 TYR 79 HD1 -0.0356 0.0178 0.0105 829 TYR 79 HD2 -0.0059 0.0007 0.0042 830 TYR 79 HE1 -0.0502 0.0103 0.0297 831 TYR 79 HE2 -0.0204 -0.0069 0.0235 832 TYR 79 HH -0.0387 -0.0117 0.0427 833 SER 80 N 0.0118 0.0046 -0.0006 834 SER 80 CA 0.0108 0.0039 -0.0000 835 SER 80 C 0.0130 0.0039 -0.0038 836 SER 80 O 0.0157 0.0050 -0.0063 837 SER 80 CB 0.0070 0.0005 0.0005 838 SER 80 OG 0.0056 -0.0004 0.0014 839 SER 80 H 0.0111 0.0028 -0.0025 840 SER 80 HA 0.0110 0.0058 0.0027 841 SER 80 HB2 0.0056 0.0005 0.0030 842 SER 80 HB3 0.0067 -0.0015 -0.0023 843 SER 80 HG 0.0051 0.0009 0.0043 844 GLN 81 N 0.0131 0.0070 0.0004 845 GLN 81 CA 0.0090 0.0072 -0.0004 846 GLN 81 C 0.0070 0.0110 -0.0041 847 GLN 81 O 0.0074 0.0127 -0.0055 848 GLN 81 CB 0.0049 0.0041 0.0017 849 GLN 81 CG 0.0009 0.0038 0.0013 850 GLN 81 CD -0.0035 0.0010 0.0031 851 GLN 81 OE1 -0.0048 0.0003 0.0035 852 GLN 81 NE2 -0.0057 -0.0006 0.0042 853 GLN 81 H 0.0128 0.0055 0.0017 854 GLN 81 HA 0.0103 0.0068 0.0001 855 GLN 81 HB2 0.0064 0.0014 0.0042 856 GLN 81 HB3 0.0032 0.0047 0.0009 857 GLN 81 HG2 -0.0005 0.0065 -0.0013 858 GLN 81 HG3 0.0025 0.0030 0.0022 859 GLN 81 HE21 -0.0044 0.0001 0.0038 860 GLN 81 HE22 -0.0086 -0.0024 0.0053 861 GLU 82 N 0.0073 0.0143 -0.0004 862 GLU 82 CA 0.0044 0.0204 -0.0044 863 GLU 82 C 0.0109 0.0229 -0.0087 864 GLU 82 O 0.0098 0.0278 -0.0124 865 GLU 82 CB -0.0005 0.0248 -0.0064 866 GLU 82 CG -0.0040 0.0312 -0.0104 867 GLU 82 CD -0.0090 0.0350 -0.0118 868 GLU 82 OE1 -0.0060 0.0374 -0.0149 869 GLU 82 OE2 -0.0160 0.0357 -0.0100 870 GLU 82 H 0.0068 0.0107 0.0028 871 GLU 82 HA 0.0009 0.0195 -0.0024 872 GLU 82 HB2 -0.0050 0.0228 -0.0031 873 GLU 82 HB3 0.0029 0.0254 -0.0080 874 GLU 82 HG2 0.0004 0.0335 -0.0138 875 GLU 82 HG3 -0.0074 0.0307 -0.0088 876 GLU 83 N 0.0275 0.0083 -0.0138 877 GLU 83 CA 0.0274 0.0071 -0.0145 878 GLU 83 C 0.0319 0.0141 -0.0123 879 GLU 83 O 0.0379 0.0140 -0.0152 880 GLU 83 CB 0.0188 0.0046 -0.0120 881 GLU 83 CG 0.0180 0.0032 -0.0124 882 GLU 83 CD 0.0095 0.0000 -0.0104 883 GLU 83 OE1 0.0048 0.0042 -0.0057 884 GLU 83 OE2 0.0074 -0.0068 -0.0136 885 GLU 83 H 0.0259 0.0127 -0.0104 886 GLU 83 HA 0.0305 0.0026 -0.0187 887 GLU 83 HB2 0.0160 -0.0005 -0.0138 888 GLU 83 HB3 0.0157 0.0089 -0.0079 889 GLU 83 HG2 0.0200 0.0085 -0.0102 890 GLU 83 HG3 0.0215 -0.0007 -0.0165 891 ALA 84 N 0.0307 0.0130 -0.0104 892 ALA 84 CA 0.0356 0.0146 -0.0071 893 ALA 84 C 0.0362 0.0156 -0.0038 894 ALA 84 O 0.0389 0.0170 0.0004 895 ALA 84 CB 0.0351 0.0155 -0.0035 896 ALA 84 H 0.0270 0.0128 -0.0087 897 ALA 84 HA 0.0391 0.0145 -0.0098 898 ALA 84 HB1 0.0387 0.0167 -0.0010 899 ALA 84 HB2 0.0314 0.0155 -0.0009 900 ALA 84 HB3 0.0351 0.0148 -0.0060 901 GLU 85 N 0.0244 0.0096 -0.0065 902 GLU 85 CA 0.0191 0.0072 -0.0035 903 GLU 85 C 0.0136 0.0117 -0.0053 904 GLU 85 O 0.0113 0.0133 -0.0059 905 GLU 85 CB 0.0184 0.0030 -0.0003 906 GLU 85 CG 0.0137 -0.0007 0.0035 907 GLU 85 CD 0.0068 0.0018 0.0035 908 GLU 85 OE1 0.0041 0.0018 0.0041 909 GLU 85 OE2 0.0040 0.0037 0.0028 910 GLU 85 H 0.0235 0.0134 -0.0090 911 GLU 85 HA 0.0195 0.0054 -0.0023 912 GLU 85 HB2 0.0230 0.0006 0.0003 913 GLU 85 HB3 0.0171 0.0050 -0.0014 914 GLU 85 HG2 0.0147 -0.0013 0.0037 915 GLU 85 HG3 0.0148 -0.0043 0.0059 916 ARG 86 N 0.0134 0.0136 -0.0119 917 ARG 86 CA 0.0197 0.0127 -0.0035 918 ARG 86 C 0.0179 0.0128 -0.0082 919 ARG 86 O 0.0080 0.0146 -0.0142 920 ARG 86 CB 0.0160 0.0146 0.0115 921 ARG 86 CG 0.0013 0.0181 0.0142 922 ARG 86 CD -0.0075 0.0199 0.0104 923 ARG 86 NE -0.0213 0.0232 0.0121 924 ARG 86 CZ -0.0315 0.0252 0.0074 925 ARG 86 NH1 -0.0297 0.0244 0.0010 926 ARG 86 NH2 -0.0435 0.0281 0.0091 927 ARG 86 H 0.0040 0.0156 -0.0138 928 ARG 86 HA 0.0300 0.0103 -0.0041 929 ARG 86 HB2 0.0189 0.0143 0.0170 930 ARG 86 HB3 0.0214 0.0136 0.0154 931 ARG 86 HG2 0.0001 0.0191 0.0247 932 ARG 86 HG3 -0.0018 0.0185 0.0086 933 ARG 86 HD2 -0.0058 0.0188 0.0001 934 ARG 86 HD3 -0.0050 0.0198 0.0168 935 ARG 86 HE -0.0229 0.0239 0.0171 936 ARG 86 HH11 -0.0208 0.0222 -0.0005 937 ARG 86 HH12 -0.0372 0.0259 -0.0025 938 ARG 86 HH21 -0.0452 0.0288 0.0138 939 ARG 86 HH22 -0.0514 0.0297 0.0056 940 ALA 87 N -0.0011 0.0196 0.0202 941 ALA 87 CA -0.0107 0.0215 0.0440 942 ALA 87 C -0.0065 0.0237 0.0171 943 ALA 87 O -0.0261 0.0360 0.0205 944 ALA 87 CB -0.0470 0.0424 0.0611 945 ALA 87 H -0.0173 0.0335 0.0027 946 ALA 87 HA 0.0053 0.0066 0.0676 947 ALA 87 HB1 -0.0627 0.0572 0.0373 948 ALA 87 HB2 -0.0496 0.0406 0.0799 949 ALA 87 HB3 -0.0544 0.0442 0.0780 950 ALA 88 N 0.0204 0.0096 0.0129 951 ALA 88 CA 0.0226 0.0008 0.0109 952 ALA 88 C 0.0272 -0.0057 0.0117 953 ALA 88 O 0.0240 -0.0103 0.0074 954 ALA 88 CB 0.0154 -0.0024 0.0043 955 ALA 88 H 0.0181 0.0102 0.0114 956 ALA 88 HA 0.0264 0.0012 0.0139 957 ALA 88 HB1 0.0116 -0.0029 0.0013 958 ALA 88 HB2 0.0123 0.0024 0.0039 959 ALA 88 HB3 0.0174 -0.0090 0.0031 960 GLY 89 N 0.1078 -0.0166 0.0104 961 GLY 89 CA 0.0922 -0.0137 0.0103 962 GLY 89 C 0.0779 -0.0141 0.0074 963 GLY 89 O 0.0769 -0.0074 0.0134 964 GLY 89 H 0.1084 -0.0209 0.0066 965 GLY 89 HA2 0.0917 -0.0045 0.0188 966 GLY 89 HA3 0.0912 -0.0203 0.0040 967 MET 90 N -0.1026 -0.0227 -0.0104 968 MET 90 CA -0.0755 -0.0176 -0.0151 969 MET 90 C -0.0644 -0.0381 -0.0152 970 MET 90 O -0.0561 -0.0591 -0.0147 971 MET 90 CB -0.0598 -0.0154 -0.0178 972 MET 90 CG -0.0323 -0.0048 -0.0232 973 MET 90 SD -0.0104 -0.0242 -0.0250 974 MET 90 CE 0.0188 -0.0071 -0.0311 975 MET 90 H -0.1151 -0.0096 -0.0095 976 MET 90 HA -0.0750 0.0006 -0.0168 977 MET 90 HB2 -0.0701 -0.0028 -0.0173 978 MET 90 HB3 -0.0586 -0.0343 -0.0164 979 MET 90 HG2 -0.0334 0.0141 -0.0246 980 MET 90 HG3 -0.0244 -0.0029 -0.0246 981 MET 90 HE1 0.0164 0.0124 -0.0324 982 MET 90 HE2 0.0340 -0.0167 -0.0327 983 MET 90 HE3 0.0236 -0.0065 -0.0319 984 GLY 91 N -0.0572 -0.0192 -0.0122 985 GLY 91 CA -0.0609 -0.0605 0.0235 986 GLY 91 C -0.0398 -0.0261 -0.0095 987 GLY 91 O -0.0925 -0.0102 -0.0135 988 GLY 91 H -0.0927 0.0220 -0.0408 989 GLY 91 HA2 -0.0174 -0.1030 0.0518 990 GLY 91 HA3 -0.1229 -0.0738 0.0462 991 SER 92 N 0.1495 0.0489 -0.1792 992 SER 92 CA 0.1448 -0.0036 -0.0893 993 SER 92 C 0.0632 0.0476 -0.1254 994 SER 92 O -0.0596 0.0969 -0.1337 995 SER 92 CB 0.0829 -0.0592 0.0399 996 SER 92 OG 0.1617 -0.1061 0.0705 997 SER 92 H 0.0628 0.0863 -0.1892 998 SER 92 HA 0.2493 -0.0423 -0.0875 999 SER 92 HB2 -0.0217 -0.0212 0.0395 1000 SER 92 HB3 0.0843 -0.1014 0.1091 1001 SER 92 HG 0.2222 -0.0816 -0.0062 1002 TYR 93 N -0.0337 -0.0054 0.0507 1003 TYR 93 CA -0.0339 -0.0049 0.0403 1004 TYR 93 C -0.0238 -0.0060 0.0530 1005 TYR 93 O -0.0133 -0.0072 0.0664 1006 TYR 93 CB -0.0230 -0.0046 0.0209 1007 TYR 93 CG -0.0244 -0.0038 0.0070 1008 TYR 93 CD1 -0.0395 -0.0024 -0.0060 1009 TYR 93 CD2 -0.0108 -0.0045 0.0068 1010 TYR 93 CE1 -0.0411 -0.0017 -0.0187 1011 TYR 93 CE2 -0.0123 -0.0039 -0.0059 1012 TYR 93 CZ -0.0274 -0.0025 -0.0186 1013 TYR 93 OH -0.0290 -0.0018 -0.0312 1014 TYR 93 H -0.0210 -0.0062 0.0529 1015 TYR 93 HA -0.0487 -0.0040 0.0376 1016 TYR 93 HB2 -0.0286 -0.0039 0.0136 1017 TYR 93 HB3 -0.0079 -0.0055 0.0239 1018 TYR 93 HD1 -0.0502 -0.0019 -0.0061 1019 TYR 93 HD2 0.0011 -0.0056 0.0168 1020 TYR 93 HE1 -0.0530 -0.0006 -0.0287 1021 TYR 93 HE2 -0.0016 -0.0044 -0.0059 1022 TYR 93 HH -0.0275 -0.0022 -0.0236 1023 VAL 94 N -0.0390 0.0074 0.0643 1024 VAL 94 CA -0.0216 0.0364 0.0375 1025 VAL 94 C -0.0348 0.0649 0.0411 1026 VAL 94 O -0.0345 0.0530 0.0448 1027 VAL 94 CB 0.0117 0.0178 0.0107 1028 VAL 94 CG1 0.0166 -0.0109 0.0152 1029 VAL 94 CG2 0.0290 0.0493 -0.0169 1030 VAL 94 H -0.0299 -0.0203 0.0644 1031 VAL 94 HA -0.0237 0.0537 0.0338 1032 VAL 94 HB 0.0197 0.0015 0.0080 1033 VAL 94 HG11 0.0397 -0.0228 -0.0038 1034 VAL 94 HG12 0.0080 0.0041 0.0188 1035 VAL 94 HG13 0.0056 -0.0342 0.0338 1036 VAL 94 HG21 0.0206 0.0669 -0.0144 1037 VAL 94 HG22 0.0517 0.0358 -0.0350 1038 VAL 94 HG23 0.0270 0.0675 -0.0210