1 ASP 28 N 0.0550 0.0155 0.0081 2 ASP 28 CA 0.0321 0.0084 0.0042 3 ASP 28 C 0.0145 0.0100 0.0011 4 ASP 28 O 0.0139 0.0280 0.0005 5 ASP 28 CB 0.0250 0.0241 0.0026 6 ASP 28 CG 0.0016 0.0177 -0.0014 7 ASP 28 OD1 -0.0007 -0.0017 -0.0013 8 ASP 28 OD2 -0.0143 0.0324 -0.0046 9 ASP 28 H 0.0674 0.0149 0.0103 10 ASP 28 HA 0.0334 -0.0097 0.0049 11 ASP 28 HB2 0.0377 0.0226 0.0048 12 ASP 28 HB3 0.0243 0.0422 0.0020 13 PRO 29 N 0.0319 0.0147 -0.0255 14 PRO 29 CA 0.0083 0.0008 -0.0155 15 PRO 29 C -0.0200 0.0308 -0.0108 16 PRO 29 O -0.0376 0.0493 -0.0078 17 PRO 29 CB -0.0104 -0.0319 -0.0043 18 PRO 29 CG 0.0119 -0.0420 -0.0101 19 PRO 29 CD 0.0292 -0.0068 -0.0212 20 PRO 29 HA 0.0236 -0.0092 -0.0190 21 PRO 29 HB2 -0.0377 -0.0223 0.0032 22 PRO 29 HB3 -0.0114 -0.0550 -0.0004 23 PRO 29 HG2 -0.0052 -0.0521 -0.0029 24 PRO 29 HG3 0.0323 -0.0635 -0.0135 25 PRO 29 HD2 0.0124 0.0083 -0.0180 26 PRO 29 HD3 0.0557 -0.0140 -0.0289 27 ASN 30 N -0.0221 0.0262 -0.0141 28 ASN 30 CA -0.0223 0.0235 0.0027 29 ASN 30 C -0.0172 0.0316 0.0068 30 ASN 30 O -0.0100 0.0428 0.0138 31 ASN 30 CB -0.0197 0.0263 0.0144 32 ASN 30 CG -0.0194 0.0240 0.0324 33 ASN 30 OD1 -0.0257 0.0125 0.0393 34 ASN 30 ND2 -0.0124 0.0350 0.0402 35 ASN 30 H -0.0274 0.0182 -0.0206 36 ASN 30 HA -0.0287 0.0125 0.0037 37 ASN 30 HB2 -0.0240 0.0192 0.0114 38 ASN 30 HB3 -0.0136 0.0370 0.0114 39 ASN 30 HD21 -0.0075 0.0441 0.0342 40 ASN 30 HD22 -0.0121 0.0337 0.0518 41 ALA 31 N -0.0080 0.0496 -0.0039 42 ALA 31 CA -0.0077 0.0445 -0.0003 43 ALA 31 C -0.0133 0.0422 0.0027 44 ALA 31 O -0.0179 0.0430 0.0032 45 ALA 31 CB -0.0067 0.0445 -0.0005 46 ALA 31 H -0.0120 0.0512 -0.0042 47 ALA 31 HA -0.0038 0.0423 0.0004 48 ALA 31 HB1 -0.0062 0.0406 0.0022 49 ALA 31 HB2 -0.0105 0.0467 -0.0012 50 ALA 31 HB3 -0.0026 0.0461 -0.0027 51 GLU 32 N -0.0124 0.0079 -0.0044 52 GLU 32 CA -0.0189 -0.0013 -0.0053 53 GLU 32 C -0.0175 -0.0022 -0.0031 54 GLU 32 O -0.0229 -0.0080 -0.0052 55 GLU 32 CB -0.0191 -0.0103 0.0009 56 GLU 32 CG -0.0115 -0.0118 0.0109 57 GLU 32 CD -0.0123 -0.0211 0.0167 58 GLU 32 OE1 -0.0151 -0.0294 0.0194 59 GLU 32 OE2 -0.0102 -0.0204 0.0187 60 GLU 32 H -0.0080 0.0072 0.0013 61 GLU 32 HA -0.0243 -0.0007 -0.0123 62 GLU 32 HB2 -0.0240 -0.0170 -0.0001 63 GLU 32 HB3 -0.0201 -0.0094 -0.0010 64 GLU 32 HG2 -0.0065 -0.0053 0.0122 65 GLU 32 HG3 -0.0103 -0.0125 0.0128 66 PHE 33 N -0.0075 -0.0005 0.0065 67 PHE 33 CA -0.0074 -0.0038 0.0071 68 PHE 33 C -0.0078 -0.0061 0.0087 69 PHE 33 O -0.0080 -0.0052 0.0088 70 PHE 33 CB -0.0059 -0.0053 0.0039 71 PHE 33 CG -0.0049 -0.0052 0.0014 72 PHE 33 CD1 -0.0046 -0.0077 0.0013 73 PHE 33 CD2 -0.0043 -0.0025 -0.0008 74 PHE 33 CE1 -0.0037 -0.0076 -0.0009 75 PHE 33 CE2 -0.0033 -0.0024 -0.0030 76 PHE 33 CZ -0.0031 -0.0050 -0.0031 77 PHE 33 H -0.0068 -0.0000 0.0048 78 PHE 33 HA -0.0080 -0.0036 0.0086 79 PHE 33 HB2 -0.0058 -0.0079 0.0043 80 PHE 33 HB3 -0.0057 -0.0038 0.0030 81 PHE 33 HD1 -0.0051 -0.0099 0.0030 82 PHE 33 HD2 -0.0045 -0.0005 -0.0007 83 PHE 33 HE1 -0.0034 -0.0097 -0.0010 84 PHE 33 HE2 -0.0029 -0.0003 -0.0048 85 PHE 33 HZ -0.0023 -0.0049 -0.0049 86 ASP 34 N -0.0018 -0.0187 0.0082 87 ASP 34 CA 0.0016 -0.0195 0.0075 88 ASP 34 C -0.0027 -0.0177 0.0085 89 ASP 34 O -0.0060 -0.0129 0.0096 90 ASP 34 CB 0.0075 -0.0153 0.0066 91 ASP 34 CG 0.0115 -0.0165 0.0057 92 ASP 34 OD1 0.0099 -0.0144 0.0062 93 ASP 34 OD2 0.0164 -0.0196 0.0044 94 ASP 34 H -0.0023 -0.0144 0.0087 95 ASP 34 HA 0.0029 -0.0245 0.0068 96 ASP 34 HB2 0.0102 -0.0162 0.0060 97 ASP 34 HB3 0.0061 -0.0104 0.0073 98 PRO 35 N -0.0054 -0.0340 0.0163 99 PRO 35 CA -0.0196 -0.0366 0.0132 100 PRO 35 C -0.0162 -0.0312 0.0132 101 PRO 35 O -0.0272 -0.0334 0.0108 102 PRO 35 CB -0.0231 -0.0558 0.0153 103 PRO 35 CG -0.0060 -0.0629 0.0206 104 PRO 35 CD 0.0039 -0.0499 0.0210 105 PRO 35 HA -0.0305 -0.0300 0.0095 106 PRO 35 HB2 -0.0291 -0.0603 0.0145 107 PRO 35 HB3 -0.0311 -0.0588 0.0138 108 PRO 35 HG2 -0.0001 -0.0644 0.0222 109 PRO 35 HG3 -0.0070 -0.0751 0.0222 110 PRO 35 HD2 0.0167 -0.0484 0.0239 111 PRO 35 HD3 0.0038 -0.0537 0.0216 112 ASP 36 N -0.0008 -0.0073 0.0146 113 ASP 36 CA 0.0052 0.0232 0.0059 114 ASP 36 C 0.0042 0.0342 0.0081 115 ASP 36 O 0.0020 0.0605 0.0134 116 ASP 36 CB 0.0213 0.0257 -0.0216 117 ASP 36 CG 0.0284 0.0566 -0.0319 118 ASP 36 OD1 0.0247 0.0757 -0.0246 119 ASP 36 OD2 0.0379 0.0623 -0.0480 120 ASP 36 H 0.0053 -0.0235 0.0032 121 ASP 36 HA -0.0015 0.0366 0.0182 122 ASP 36 HB2 0.0215 0.0189 -0.0222 123 ASP 36 HB3 0.0279 0.0108 -0.0336 124 LEU 37 N 0.0036 0.0065 0.0012 125 LEU 37 CA 0.0033 0.0078 0.0023 126 LEU 37 C -0.0006 0.0071 0.0098 127 LEU 37 O -0.0032 0.0017 0.0130 128 LEU 37 CB 0.0048 0.0026 -0.0027 129 LEU 37 CG 0.0090 0.0043 -0.0105 130 LEU 37 CD1 0.0108 0.0124 -0.0112 131 LEU 37 CD2 0.0106 0.0031 -0.0141 132 LEU 37 H 0.0032 0.0012 0.0000 133 LEU 37 HA 0.0049 0.0137 0.0011 134 LEU 37 HB2 0.0036 -0.0031 -0.0024 135 LEU 37 HB3 0.0038 0.0027 -0.0006 136 LEU 37 HG 0.0096 0.0005 -0.0131 137 LEU 37 HD11 0.0137 0.0134 -0.0167 138 LEU 37 HD12 0.0103 0.0165 -0.0086 139 LEU 37 HD13 0.0098 0.0130 -0.0090 140 LEU 37 HD21 0.0135 0.0045 -0.0195 141 LEU 37 HD22 0.0094 -0.0027 -0.0139 142 LEU 37 HD23 0.0100 0.0069 -0.0115 143 PRO 38 N 0.0028 0.0033 0.0039 144 PRO 38 CA 0.0020 0.0031 0.0061 145 PRO 38 C 0.0003 0.0014 0.0065 146 PRO 38 O -0.0001 0.0008 0.0060 147 PRO 38 CB 0.0029 0.0045 0.0076 148 PRO 38 CG 0.0044 0.0058 0.0061 149 PRO 38 CD 0.0042 0.0048 0.0038 150 PRO 38 HA 0.0021 0.0033 0.0065 151 PRO 38 HB2 0.0022 0.0039 0.0081 152 PRO 38 HB3 0.0030 0.0051 0.0090 153 PRO 38 HG2 0.0048 0.0064 0.0066 154 PRO 38 HG3 0.0052 0.0067 0.0063 155 PRO 38 HD2 0.0038 0.0043 0.0034 156 PRO 38 HD3 0.0052 0.0055 0.0026 157 GLY 39 N -0.0031 0.0017 0.0049 158 GLY 39 CA -0.0028 0.0009 0.0049 159 GLY 39 C -0.0026 0.0005 0.0048 160 GLY 39 O -0.0023 -0.0001 0.0045 161 GLY 39 H -0.0033 0.0019 0.0053 162 GLY 39 HA2 -0.0028 0.0008 0.0055 163 GLY 39 HA3 -0.0027 0.0008 0.0045 164 GLY 40 N -0.0046 -0.0018 0.0059 165 GLY 40 CA -0.0036 -0.0038 0.0051 166 GLY 40 C -0.0014 -0.0032 0.0048 167 GLY 40 O -0.0005 -0.0046 0.0042 168 GLY 40 H -0.0045 -0.0016 0.0060 169 GLY 40 HA2 -0.0033 -0.0050 0.0047 170 GLY 40 HA3 -0.0049 -0.0046 0.0052 171 GLY 41 N -0.0006 -0.0007 0.0035 172 GLY 41 CA 0.0005 -0.0004 0.0024 173 GLY 41 C -0.0005 -0.0016 0.0027 174 GLY 41 O 0.0002 -0.0019 0.0017 175 GLY 41 H -0.0008 0.0005 0.0047 176 GLY 41 HA2 0.0012 0.0013 0.0029 177 GLY 41 HA3 0.0014 -0.0010 0.0009 178 LEU 42 N -0.0035 -0.0002 0.0043 179 LEU 42 CA -0.0038 -0.0001 0.0043 180 LEU 42 C -0.0041 0.0014 0.0046 181 LEU 42 O -0.0042 0.0017 0.0047 182 LEU 42 CB -0.0050 -0.0012 0.0044 183 LEU 42 CG -0.0049 -0.0027 0.0042 184 LEU 42 CD1 -0.0062 -0.0036 0.0043 185 LEU 42 CD2 -0.0036 -0.0034 0.0039 186 LEU 42 H -0.0043 -0.0004 0.0044 187 LEU 42 HA -0.0029 -0.0005 0.0041 188 LEU 42 HB2 -0.0059 -0.0007 0.0047 189 LEU 42 HB3 -0.0052 -0.0011 0.0045 190 LEU 42 HG -0.0047 -0.0028 0.0042 191 LEU 42 HD11 -0.0061 -0.0047 0.0042 192 LEU 42 HD12 -0.0065 -0.0035 0.0044 193 LEU 42 HD13 -0.0071 -0.0032 0.0046 194 LEU 42 HD21 -0.0037 -0.0033 0.0039 195 LEU 42 HD22 -0.0035 -0.0045 0.0037 196 LEU 42 HD23 -0.0026 -0.0028 0.0038 197 HIS 43 N -0.0027 0.0028 0.0067 198 HIS 43 CA -0.0027 0.0029 0.0067 199 HIS 43 C -0.0023 0.0007 0.0092 200 HIS 43 O -0.0016 -0.0020 0.0087 201 HIS 43 CB -0.0023 0.0020 0.0036 202 HIS 43 CG -0.0026 0.0038 0.0009 203 HIS 43 ND1 -0.0033 0.0065 0.0000 204 HIS 43 CD2 -0.0023 0.0032 -0.0012 205 HIS 43 CE1 -0.0034 0.0076 -0.0025 206 HIS 43 NE2 -0.0028 0.0056 -0.0033 207 HIS 43 H -0.0022 0.0009 0.0064 208 HIS 43 HA -0.0034 0.0051 0.0074 209 HIS 43 HB2 -0.0017 -0.0003 0.0032 210 HIS 43 HB3 -0.0024 0.0024 0.0038 211 HIS 43 HD1 -0.0036 0.0077 0.0012 212 HIS 43 HD2 -0.0018 0.0012 -0.0013 213 HIS 43 HE1 -0.0039 0.0096 -0.0036 214 HIS 43 HE2 -0.0028 0.0060 -0.0048 215 ARG 44 N -0.0030 -0.0055 0.0094 216 ARG 44 CA -0.0023 -0.0038 0.0080 217 ARG 44 C -0.0031 -0.0057 0.0092 218 ARG 44 O -0.0047 -0.0087 0.0097 219 ARG 44 CB -0.0029 -0.0038 0.0038 220 ARG 44 CG -0.0027 -0.0028 0.0018 221 ARG 44 CD -0.0036 -0.0033 -0.0023 222 ARG 44 NE -0.0036 -0.0026 -0.0044 223 ARG 44 CZ -0.0041 -0.0024 -0.0081 224 ARG 44 NH1 -0.0047 -0.0030 -0.0101 225 ARG 44 NH2 -0.0040 -0.0017 -0.0098 226 ARG 44 H -0.0043 -0.0079 0.0090 227 ARG 44 HA -0.0008 -0.0013 0.0087 228 ARG 44 HB2 -0.0044 -0.0062 0.0031 229 ARG 44 HB3 -0.0022 -0.0021 0.0028 230 ARG 44 HG2 -0.0013 -0.0003 0.0023 231 ARG 44 HG3 -0.0034 -0.0045 0.0030 232 ARG 44 HD2 -0.0051 -0.0058 -0.0027 233 ARG 44 HD3 -0.0029 -0.0016 -0.0033 234 ARG 44 HE -0.0032 -0.0022 -0.0029 235 ARG 44 HH11 -0.0048 -0.0035 -0.0089 236 ARG 44 HH12 -0.0051 -0.0029 -0.0129 237 ARG 44 HH21 -0.0035 -0.0013 -0.0084 238 ARG 44 HH22 -0.0044 -0.0016 -0.0126 239 CYS 45 N -0.0040 -0.0050 0.0105 240 CYS 45 CA -0.0040 -0.0051 0.0106 241 CYS 45 C -0.0033 -0.0048 0.0083 242 CYS 45 O -0.0023 -0.0032 0.0076 243 CYS 45 CB -0.0036 -0.0035 0.0123 244 CYS 45 SG -0.0035 -0.0033 0.0121 245 CYS 45 H -0.0033 -0.0037 0.0106 246 CYS 45 HA -0.0049 -0.0066 0.0109 247 CYS 45 HB2 -0.0042 -0.0039 0.0139 248 CYS 45 HB3 -0.0028 -0.0021 0.0122 249 LEU 46 N -0.0063 -0.0116 0.0045 250 LEU 46 CA -0.0038 -0.0114 -0.0060 251 LEU 46 C 0.0004 -0.0044 -0.0070 252 LEU 46 O 0.0047 0.0004 -0.0141 253 LEU 46 CB -0.0082 -0.0208 -0.0105 254 LEU 46 CG -0.0125 -0.0282 -0.0106 255 LEU 46 CD1 -0.0169 -0.0374 -0.0143 256 LEU 46 CD2 -0.0098 -0.0261 -0.0170 257 LEU 46 H -0.0102 -0.0170 0.0079 258 LEU 46 HA -0.0018 -0.0094 -0.0103 259 LEU 46 HB2 -0.0103 -0.0228 -0.0061 260 LEU 46 HB3 -0.0063 -0.0205 -0.0182 261 LEU 46 HG -0.0142 -0.0282 -0.0028 262 LEU 46 HD11 -0.0190 -0.0391 -0.0092 263 LEU 46 HD12 -0.0198 -0.0425 -0.0146 264 LEU 46 HD13 -0.0151 -0.0372 -0.0218 265 LEU 46 HD21 -0.0069 -0.0199 -0.0139 266 LEU 46 HD22 -0.0077 -0.0255 -0.0248 267 LEU 46 HD23 -0.0129 -0.0316 -0.0171 268 ALA 47 N -0.0006 -0.0065 -0.0001 269 ALA 47 CA 0.0005 -0.0053 0.0008 270 ALA 47 C 0.0006 -0.0066 0.0005 271 ALA 47 O 0.0019 -0.0062 0.0012 272 ALA 47 CB -0.0005 -0.0028 0.0008 273 ALA 47 H -0.0020 -0.0058 -0.0005 274 ALA 47 HA 0.0022 -0.0052 0.0016 275 ALA 47 HB1 0.0004 -0.0019 0.0015 276 ALA 47 HB2 -0.0022 -0.0029 -0.0000 277 ALA 47 HB3 -0.0005 -0.0019 0.0010 278 CYS 48 N -0.0019 -0.0048 0.0087 279 CYS 48 CA 0.0002 -0.0037 0.0087 280 CYS 48 C 0.0010 -0.0035 0.0064 281 CYS 48 O 0.0028 -0.0026 0.0061 282 CYS 48 CB 0.0005 -0.0034 0.0105 283 CYS 48 SG 0.0000 -0.0034 0.0132 284 CYS 48 H -0.0030 -0.0054 0.0083 285 CYS 48 HA 0.0011 -0.0032 0.0091 286 CYS 48 HB2 -0.0005 -0.0039 0.0106 287 CYS 48 HB3 0.0020 -0.0026 0.0105 288 ALA 49 N -0.0006 -0.0029 0.0004 289 ALA 49 CA -0.0001 -0.0012 -0.0030 290 ALA 49 C 0.0021 0.0013 -0.0012 291 ALA 49 O 0.0034 0.0037 -0.0034 292 ALA 49 CB 0.0006 0.0009 -0.0067 293 ALA 49 H -0.0025 -0.0055 0.0008 294 ALA 49 HA -0.0020 -0.0033 -0.0043 295 ALA 49 HB1 0.0025 0.0030 -0.0054 296 ALA 49 HB2 -0.0010 -0.0009 -0.0079 297 ALA 49 HB3 0.0009 0.0020 -0.0092 298 ARG 50 N 0.0006 0.0000 0.0041 299 ARG 50 CA 0.0058 0.0008 0.0024 300 ARG 50 C 0.0044 0.0025 -0.0006 301 ARG 50 O 0.0002 0.0020 0.0005 302 ARG 50 CB 0.0097 -0.0019 0.0068 303 ARG 50 CG 0.0119 -0.0038 0.0098 304 ARG 50 CD 0.0157 -0.0063 0.0141 305 ARG 50 NE 0.0177 -0.0082 0.0171 306 ARG 50 CZ 0.0208 -0.0107 0.0214 307 ARG 50 NH1 0.0224 -0.0117 0.0229 308 ARG 50 NH2 0.0223 -0.0123 0.0240 309 ARG 50 H -0.0018 -0.0014 0.0067 310 ARG 50 HA 0.0082 0.0021 -0.0001 311 ARG 50 HB2 0.0074 -0.0032 0.0093 312 ARG 50 HB3 0.0135 -0.0012 0.0053 313 ARG 50 HG2 0.0144 -0.0025 0.0074 314 ARG 50 HG3 0.0082 -0.0045 0.0114 315 ARG 50 HD2 0.0133 -0.0076 0.0165 316 ARG 50 HD3 0.0194 -0.0056 0.0125 317 ARG 50 HE 0.0167 -0.0074 0.0159 318 ARG 50 HH11 0.0214 -0.0106 0.0210 319 ARG 50 HH12 0.0247 -0.0135 0.0260 320 ARG 50 HH21 0.0213 -0.0116 0.0229 321 ARG 50 HH22 0.0245 -0.0142 0.0272 322 TYR 51 N 0.0043 0.0015 0.0049 323 TYR 51 CA 0.0039 0.0008 0.0052 324 TYR 51 C 0.0049 0.0012 0.0079 325 TYR 51 O 0.0065 0.0030 0.0086 326 TYR 51 CB 0.0043 0.0021 0.0029 327 TYR 51 CG 0.0034 0.0020 0.0002 328 TYR 51 CD1 0.0043 0.0035 -0.0010 329 TYR 51 CD2 0.0018 0.0004 -0.0013 330 TYR 51 CE1 0.0035 0.0033 -0.0036 331 TYR 51 CE2 0.0010 0.0003 -0.0038 332 TYR 51 CZ 0.0019 0.0018 -0.0049 333 TYR 51 OH 0.0011 0.0017 -0.0075 334 TYR 51 H 0.0055 0.0031 0.0046 335 TYR 51 HA 0.0025 -0.0009 0.0050 336 TYR 51 HB2 0.0057 0.0038 0.0032 337 TYR 51 HB3 0.0039 0.0016 0.0031 338 TYR 51 HD1 0.0055 0.0047 0.0000 339 TYR 51 HD2 0.0011 -0.0007 -0.0004 340 TYR 51 HE1 0.0041 0.0045 -0.0044 341 TYR 51 HE2 -0.0003 -0.0009 -0.0049 342 TYR 51 HH 0.0020 0.0032 -0.0084 343 PHE 52 N 0.0006 -0.0041 0.0079 344 PHE 52 CA 0.0012 -0.0045 0.0061 345 PHE 52 C 0.0013 -0.0035 0.0044 346 PHE 52 O 0.0008 -0.0019 0.0046 347 PHE 52 CB 0.0010 -0.0038 0.0061 348 PHE 52 CG 0.0008 -0.0048 0.0077 349 PHE 52 CD1 0.0001 -0.0041 0.0096 350 PHE 52 CD2 0.0013 -0.0063 0.0074 351 PHE 52 CE1 -0.0000 -0.0049 0.0111 352 PHE 52 CE2 0.0012 -0.0072 0.0089 353 PHE 52 CZ 0.0005 -0.0065 0.0107 354 PHE 52 H 0.0001 -0.0028 0.0083 355 PHE 52 HA 0.0016 -0.0060 0.0059 356 PHE 52 HB2 0.0005 -0.0023 0.0062 357 PHE 52 HB3 0.0014 -0.0041 0.0047 358 PHE 52 HD1 -0.0003 -0.0029 0.0098 359 PHE 52 HD2 0.0018 -0.0069 0.0060 360 PHE 52 HE1 -0.0005 -0.0044 0.0125 361 PHE 52 HE2 0.0016 -0.0084 0.0087 362 PHE 52 HZ 0.0004 -0.0072 0.0119 363 ILE 53 N 0.0014 -0.0043 0.0000 364 ILE 53 CA 0.0031 -0.0013 -0.0039 365 ILE 53 C 0.0033 0.0034 -0.0059 366 ILE 53 O 0.0035 0.0075 -0.0077 367 ILE 53 CB 0.0063 -0.0048 -0.0077 368 ILE 53 CG1 0.0078 -0.0076 -0.0092 369 ILE 53 CG2 0.0062 -0.0088 -0.0061 370 ILE 53 CD1 0.0109 -0.0110 -0.0131 371 ILE 53 H 0.0024 -0.0080 -0.0002 372 ILE 53 HA 0.0021 0.0002 -0.0028 373 ILE 53 HB 0.0075 -0.0022 -0.0106 374 ILE 53 HG12 0.0066 -0.0100 -0.0063 375 ILE 53 HG13 0.0078 -0.0045 -0.0103 376 ILE 53 HG21 0.0049 -0.0113 -0.0031 377 ILE 53 HG22 0.0053 -0.0068 -0.0054 378 ILE 53 HG23 0.0084 -0.0113 -0.0088 379 ILE 53 HD11 0.0123 -0.0085 -0.0161 380 ILE 53 HD12 0.0118 -0.0128 -0.0138 381 ILE 53 HD13 0.0110 -0.0140 -0.0120 382 ASP 54 N 0.0022 -0.0018 -0.0056 383 ASP 54 CA 0.0018 0.0033 -0.0081 384 ASP 54 C 0.0003 0.0049 -0.0046 385 ASP 54 O 0.0002 0.0011 -0.0015 386 ASP 54 CB 0.0040 0.0022 -0.0140 387 ASP 54 CG 0.0038 0.0074 -0.0171 388 ASP 54 OD1 0.0038 0.0110 -0.0194 389 ASP 54 OD2 0.0037 0.0079 -0.0172 390 ASP 54 H 0.0021 -0.0046 -0.0035 391 ASP 54 HA 0.0011 0.0068 -0.0083 392 ASP 54 HB2 0.0051 0.0009 -0.0164 393 ASP 54 HB3 0.0047 -0.0012 -0.0138 394 SER 55 N -0.0001 0.0072 -0.0081 395 SER 55 CA -0.0014 0.0099 -0.0049 396 SER 55 C -0.0006 0.0079 -0.0062 397 SER 55 O -0.0011 0.0075 -0.0026 398 SER 55 CB -0.0028 0.0162 -0.0060 399 SER 55 OG -0.0041 0.0191 -0.0032 400 SER 55 H -0.0002 0.0094 -0.0107 401 SER 55 HA -0.0019 0.0090 -0.0005 402 SER 55 HB2 -0.0034 0.0174 -0.0046 403 SER 55 HB3 -0.0023 0.0172 -0.0104 404 SER 55 HG -0.0038 0.0195 -0.0055 405 THR 56 N 0.0011 0.0085 -0.0084 406 THR 56 CA 0.0022 0.0060 -0.0103 407 THR 56 C 0.0027 0.0001 -0.0070 408 THR 56 O 0.0026 -0.0013 -0.0052 409 THR 56 CB 0.0040 0.0052 -0.0169 410 THR 56 OG1 0.0034 0.0106 -0.0199 411 THR 56 CG2 0.0050 0.0033 -0.0191 412 THR 56 H 0.0016 0.0091 -0.0113 413 THR 56 HA 0.0012 0.0089 -0.0094 414 THR 56 HB 0.0049 0.0018 -0.0175 415 THR 56 HG1 0.0033 0.0107 -0.0196 416 THR 56 HG21 0.0063 0.0027 -0.0237 417 THR 56 HG22 0.0040 0.0065 -0.0183 418 THR 56 HG23 0.0054 -0.0008 -0.0169 419 ASN 57 N 0.0019 0.0003 -0.0079 420 ASN 57 CA 0.0023 -0.0049 -0.0049 421 ASN 57 C 0.0005 -0.0043 0.0010 422 ASN 57 O 0.0006 -0.0076 0.0036 423 ASN 57 CB 0.0033 -0.0079 -0.0057 424 ASN 57 CG 0.0055 -0.0108 -0.0108 425 ASN 57 OD1 0.0068 -0.0156 -0.0108 426 ASN 57 ND2 0.0061 -0.0082 -0.0152 427 ASN 57 H 0.0019 0.0016 -0.0092 428 ASN 57 HA 0.0034 -0.0072 -0.0065 429 ASN 57 HB2 0.0026 -0.0048 -0.0059 430 ASN 57 HB3 0.0030 -0.0106 -0.0022 431 ASN 57 HD21 0.0052 -0.0044 -0.0151 432 ASN 57 HD22 0.0076 -0.0101 -0.0185 433 LEU 58 N -0.0012 -0.0024 0.0042 434 LEU 58 CA -0.0019 -0.0018 0.0066 435 LEU 58 C -0.0022 -0.0010 0.0071 436 LEU 58 O -0.0023 -0.0018 0.0087 437 LEU 58 CB -0.0025 -0.0000 0.0072 438 LEU 58 CG -0.0033 0.0011 0.0095 439 LEU 58 CD1 -0.0039 0.0031 0.0094 440 LEU 58 CD2 -0.0033 -0.0007 0.0114 441 LEU 58 H -0.0012 -0.0014 0.0032 442 LEU 58 HA -0.0017 -0.0034 0.0076 443 LEU 58 HB2 -0.0022 -0.0009 0.0071 444 LEU 58 HB3 -0.0025 0.0013 0.0058 445 LEU 58 HG -0.0036 0.0018 0.0099 446 LEU 58 HD11 -0.0044 0.0038 0.0111 447 LEU 58 HD12 -0.0036 0.0024 0.0090 448 LEU 58 HD13 -0.0039 0.0043 0.0081 449 LEU 58 HD21 -0.0030 -0.0014 0.0112 450 LEU 58 HD22 -0.0039 0.0002 0.0131 451 LEU 58 HD23 -0.0029 -0.0020 0.0115 452 LYS 59 N -0.0018 0.0037 0.0024 453 LYS 59 CA -0.0015 0.0033 0.0021 454 LYS 59 C -0.0010 0.0009 0.0015 455 LYS 59 O -0.0014 -0.0001 0.0019 456 LYS 59 CB -0.0005 0.0051 0.0011 457 LYS 59 CG 0.0011 0.0052 -0.0006 458 LYS 59 CD 0.0021 0.0071 -0.0015 459 LYS 59 CE 0.0023 0.0068 -0.0017 460 LYS 59 NZ 0.0032 0.0049 -0.0028 461 LYS 59 H -0.0012 0.0049 0.0019 462 LYS 59 HA -0.0027 0.0034 0.0033 463 LYS 59 HB2 -0.0004 0.0048 0.0010 464 LYS 59 HB3 -0.0010 0.0067 0.0017 465 LYS 59 HG2 0.0011 0.0054 -0.0005 466 LYS 59 HG3 0.0017 0.0036 -0.0012 467 LYS 59 HD2 0.0014 0.0086 -0.0008 468 LYS 59 HD3 0.0032 0.0073 -0.0026 469 LYS 59 HE2 0.0012 0.0066 -0.0006 470 LYS 59 HE3 0.0029 0.0083 -0.0023 471 LYS 59 HZ1 0.0043 0.0051 -0.0039 472 LYS 59 HZ2 0.0034 0.0047 -0.0029 473 LYS 59 HZ3 0.0028 0.0034 -0.0024 474 THR 60 N 0.0000 0.0025 0.0000 475 THR 60 CA -0.0009 0.0004 -0.0021 476 THR 60 C -0.0008 -0.0017 0.0009 477 THR 60 O -0.0011 -0.0022 0.0001 478 THR 60 CB -0.0021 -0.0026 -0.0049 479 THR 60 OG1 -0.0021 -0.0005 -0.0077 480 THR 60 CG2 -0.0030 -0.0048 -0.0071 481 THR 60 H -0.0002 0.0017 -0.0002 482 THR 60 HA -0.0007 0.0025 -0.0039 483 THR 60 HB -0.0022 -0.0045 -0.0030 484 THR 60 HG1 -0.0016 0.0003 -0.0063 485 THR 60 HG21 -0.0039 -0.0069 -0.0090 486 THR 60 HG22 -0.0029 -0.0028 -0.0090 487 THR 60 HG23 -0.0031 -0.0064 -0.0050 488 HIS 61 N -0.0022 0.0004 0.0046 489 HIS 61 CA -0.0018 -0.0001 0.0057 490 HIS 61 C -0.0011 0.0012 0.0062 491 HIS 61 O -0.0009 0.0010 0.0066 492 HIS 61 CB -0.0014 -0.0011 0.0069 493 HIS 61 CG -0.0008 -0.0013 0.0082 494 HIS 61 ND1 -0.0009 -0.0021 0.0085 495 HIS 61 CD2 0.0001 -0.0006 0.0094 496 HIS 61 CE1 -0.0001 -0.0018 0.0098 497 HIS 61 NE2 0.0004 -0.0010 0.0103 498 HIS 61 H -0.0022 0.0002 0.0047 499 HIS 61 HA -0.0022 -0.0008 0.0052 500 HIS 61 HB2 -0.0019 -0.0022 0.0066 501 HIS 61 HB3 -0.0012 -0.0007 0.0070 502 HIS 61 HD1 -0.0014 -0.0027 0.0079 503 HIS 61 HD2 0.0004 0.0002 0.0095 504 HIS 61 HE1 0.0001 -0.0022 0.0104 505 PHE 62 N -0.0040 0.0030 0.0015 506 PHE 62 CA -0.0031 0.0035 0.0008 507 PHE 62 C -0.0033 0.0041 -0.0004 508 PHE 62 O -0.0026 0.0046 -0.0010 509 PHE 62 CB -0.0018 0.0037 0.0013 510 PHE 62 CG -0.0015 0.0031 0.0025 511 PHE 62 CD1 -0.0016 0.0028 0.0030 512 PHE 62 CD2 -0.0010 0.0029 0.0031 513 PHE 62 CE1 -0.0013 0.0023 0.0042 514 PHE 62 CE2 -0.0007 0.0024 0.0042 515 PHE 62 CZ -0.0009 0.0021 0.0048 516 PHE 62 H -0.0038 0.0029 0.0018 517 PHE 62 HA -0.0032 0.0035 0.0009 518 PHE 62 HB2 -0.0016 0.0038 0.0010 519 PHE 62 HB3 -0.0012 0.0040 0.0009 520 PHE 62 HD1 -0.0019 0.0030 0.0025 521 PHE 62 HD2 -0.0009 0.0032 0.0027 522 PHE 62 HE1 -0.0014 0.0021 0.0045 523 PHE 62 HE2 -0.0004 0.0023 0.0047 524 PHE 62 HZ -0.0006 0.0017 0.0057 525 ARG 63 N 0.0024 0.0068 0.0076 526 ARG 63 CA 0.0010 0.0091 0.0027 527 ARG 63 C 0.0006 0.0080 0.0031 528 ARG 63 O -0.0007 0.0094 -0.0007 529 ARG 63 CB -0.0024 0.0074 -0.0019 530 ARG 63 CG -0.0019 0.0094 -0.0030 531 ARG 63 CD -0.0054 0.0076 -0.0076 532 ARG 63 NE -0.0071 0.0092 -0.0123 533 ARG 63 CZ -0.0099 0.0088 -0.0171 534 ARG 63 NH1 -0.0112 0.0072 -0.0179 535 ARG 63 NH2 -0.0113 0.0102 -0.0211 536 ARG 63 H 0.0008 0.0036 0.0079 537 ARG 63 HA 0.0030 0.0132 0.0022 538 ARG 63 HB2 -0.0043 0.0032 -0.0010 539 ARG 63 HB3 -0.0035 0.0088 -0.0053 540 ARG 63 HG2 -0.0001 0.0136 -0.0040 541 ARG 63 HG3 -0.0008 0.0080 0.0004 542 ARG 63 HD2 -0.0049 0.0092 -0.0083 543 ARG 63 HD3 -0.0072 0.0034 -0.0066 544 ARG 63 HE -0.0061 0.0105 -0.0119 545 ARG 63 HH11 -0.0101 0.0062 -0.0149 546 ARG 63 HH12 -0.0133 0.0069 -0.0214 547 ARG 63 HH21 -0.0103 0.0115 -0.0206 548 ARG 63 HH22 -0.0134 0.0100 -0.0247 549 SER 64 N 0.0025 0.0122 0.0029 550 SER 64 CA 0.0043 0.0147 0.0023 551 SER 64 C 0.0038 0.0131 0.0013 552 SER 64 O 0.0040 0.0111 -0.0017 553 SER 64 CB 0.0066 0.0161 -0.0010 554 SER 64 OG 0.0069 0.0169 -0.0006 555 SER 64 H 0.0026 0.0110 0.0010 556 SER 64 HA 0.0045 0.0168 0.0046 557 SER 64 HB2 0.0066 0.0142 -0.0034 558 SER 64 HB3 0.0081 0.0184 -0.0012 559 SER 64 HG 0.0073 0.0190 0.0013 560 LYS 65 N 0.0114 0.0146 -0.0001 561 LYS 65 CA -0.0011 0.0083 0.0048 562 LYS 65 C 0.0016 0.0099 -0.0020 563 LYS 65 O -0.0097 0.0045 -0.0065 564 LYS 65 CB -0.0050 0.0058 0.0251 565 LYS 65 CG 0.0091 0.0123 0.0384 566 LYS 65 CD 0.0175 0.0164 0.0376 567 LYS 65 CE 0.0312 0.0228 0.0509 568 LYS 65 NZ 0.0401 0.0272 0.0498 569 LYS 65 H 0.0175 0.0173 0.0092 570 LYS 65 HA -0.0115 0.0035 -0.0023 571 LYS 65 HB2 -0.0131 0.0018 0.0279 572 LYS 65 HB3 -0.0111 0.0027 0.0278 573 LYS 65 HG2 0.0047 0.0098 0.0516 574 LYS 65 HG3 0.0176 0.0165 0.0356 575 LYS 65 HD2 0.0219 0.0190 0.0245 576 LYS 65 HD3 0.0089 0.0122 0.0408 577 LYS 65 HE2 0.0265 0.0200 0.0640 578 LYS 65 HE3 0.0391 0.0267 0.0484 579 LYS 65 HZ1 0.0329 0.0236 0.0520 580 LYS 65 HZ2 0.0453 0.0301 0.0374 581 LYS 65 HZ3 0.0492 0.0313 0.0592 582 ASP 66 N 0.0035 0.0175 0.0022 583 ASP 66 CA -0.0002 0.0193 -0.0062 584 ASP 66 C -0.0019 0.0204 -0.0100 585 ASP 66 O -0.0044 0.0186 -0.0171 586 ASP 66 CB -0.0017 0.0272 -0.0069 587 ASP 66 CG -0.0054 0.0286 -0.0154 588 ASP 66 OD1 -0.0059 0.0253 -0.0181 589 ASP 66 OD2 -0.0077 0.0330 -0.0195 590 ASP 66 H 0.0045 0.0218 0.0063 591 ASP 66 HA -0.0005 0.0140 -0.0091 592 ASP 66 HB2 -0.0002 0.0266 -0.0033 593 ASP 66 HB3 -0.0017 0.0325 -0.0046 594 HIS 67 N -0.0012 0.0111 -0.0084 595 HIS 67 CA -0.0002 0.0097 -0.0071 596 HIS 67 C 0.0020 0.0091 -0.0071 597 HIS 67 O 0.0035 0.0087 -0.0072 598 HIS 67 CB -0.0015 0.0085 -0.0054 599 HIS 67 CG -0.0008 0.0070 -0.0040 600 HIS 67 ND1 0.0001 0.0068 -0.0041 601 HIS 67 CD2 -0.0015 0.0059 -0.0025 602 HIS 67 CE1 -0.0001 0.0056 -0.0027 603 HIS 67 NE2 -0.0011 0.0049 -0.0017 604 HIS 67 H -0.0025 0.0112 -0.0081 605 HIS 67 HA 0.0000 0.0097 -0.0072 606 HIS 67 HB2 -0.0031 0.0088 -0.0053 607 HIS 67 HB3 -0.0016 0.0084 -0.0052 608 HIS 67 HD1 0.0009 0.0075 -0.0050 609 HIS 67 HD2 -0.0020 0.0057 -0.0022 610 HIS 67 HE1 0.0005 0.0050 -0.0023 611 LYS 68 N -0.0023 0.0065 -0.0082 612 LYS 68 CA -0.0020 0.0048 -0.0085 613 LYS 68 C -0.0020 0.0042 -0.0099 614 LYS 68 O -0.0018 0.0032 -0.0107 615 LYS 68 CB -0.0017 0.0040 -0.0070 616 LYS 68 CG -0.0018 0.0047 -0.0056 617 LYS 68 CD -0.0015 0.0038 -0.0041 618 LYS 68 CE -0.0015 0.0040 -0.0036 619 LYS 68 NZ -0.0012 0.0032 -0.0021 620 LYS 68 H -0.0023 0.0068 -0.0073 621 LYS 68 HA -0.0020 0.0047 -0.0088 622 LYS 68 HB2 -0.0017 0.0041 -0.0067 623 LYS 68 HB3 -0.0015 0.0028 -0.0071 624 LYS 68 HG2 -0.0018 0.0048 -0.0058 625 LYS 68 HG3 -0.0020 0.0059 -0.0054 626 LYS 68 HD2 -0.0012 0.0026 -0.0042 627 LYS 68 HD3 -0.0015 0.0043 -0.0031 628 LYS 68 HE2 -0.0017 0.0052 -0.0035 629 LYS 68 HE3 -0.0014 0.0034 -0.0046 630 LYS 68 HZ1 -0.0010 0.0020 -0.0022 631 LYS 68 HZ2 -0.0012 0.0034 -0.0018 632 LYS 68 HZ3 -0.0013 0.0037 -0.0012 633 LYS 69 N 0.0040 0.0100 -0.0055 634 LYS 69 CA 0.0031 0.0083 -0.0130 635 LYS 69 C -0.0012 0.0092 -0.0100 636 LYS 69 O 0.0020 0.0085 -0.0124 637 LYS 69 CB -0.0030 0.0071 -0.0196 638 LYS 69 CG -0.0072 0.0056 -0.0268 639 LYS 69 CD -0.0138 0.0048 -0.0317 640 LYS 69 CE -0.0192 0.0034 -0.0390 641 LYS 69 NZ -0.0257 0.0028 -0.0429 642 LYS 69 H 0.0011 0.0101 -0.0059 643 LYS 69 HA 0.0097 0.0073 -0.0159 644 LYS 69 HB2 0.0009 0.0062 -0.0228 645 LYS 69 HB3 -0.0084 0.0082 -0.0159 646 LYS 69 HG2 -0.0107 0.0066 -0.0234 647 LYS 69 HG3 -0.0020 0.0043 -0.0311 648 LYS 69 HD2 -0.0099 0.0039 -0.0347 649 LYS 69 HD3 -0.0184 0.0062 -0.0270 650 LYS 69 HE2 -0.0229 0.0042 -0.0362 651 LYS 69 HE3 -0.0147 0.0020 -0.0441 652 LYS 69 HZ1 -0.0299 0.0019 -0.0478 653 LYS 69 HZ2 -0.0299 0.0042 -0.0379 654 LYS 69 HZ3 -0.0223 0.0020 -0.0455 655 ARG 70 N -0.0046 0.0109 -0.0096 656 ARG 70 CA -0.0035 0.0083 -0.0024 657 ARG 70 C -0.0016 0.0124 0.0013 658 ARG 70 O 0.0002 0.0136 0.0075 659 ARG 70 CB -0.0054 0.0005 -0.0018 660 ARG 70 CG -0.0044 -0.0028 0.0057 661 ARG 70 CD -0.0034 -0.0019 0.0091 662 ARG 70 NE -0.0024 -0.0047 0.0164 663 ARG 70 CZ -0.0005 -0.0022 0.0215 664 ARG 70 NH1 0.0005 0.0032 0.0200 665 ARG 70 NH2 0.0003 -0.0052 0.0280 666 ARG 70 H -0.0062 0.0078 -0.0133 667 ARG 70 HA -0.0027 0.0091 0.0001 668 ARG 70 HB2 -0.0069 -0.0023 -0.0051 669 ARG 70 HB3 -0.0060 -0.0001 -0.0040 670 ARG 70 HG2 -0.0059 -0.0083 0.0055 671 ARG 70 HG3 -0.0031 -0.0003 0.0087 672 ARG 70 HD2 -0.0020 0.0036 0.0091 673 ARG 70 HD3 -0.0047 -0.0046 0.0062 674 ARG 70 HE -0.0031 -0.0087 0.0175 675 ARG 70 HH11 -0.0001 0.0056 0.0152 676 ARG 70 HH12 0.0019 0.0051 0.0238 677 ARG 70 HH21 -0.0005 -0.0092 0.0292 678 ARG 70 HH22 0.0016 -0.0035 0.0320 679 LEU 71 N -0.0005 0.0074 -0.0005 680 LEU 71 CA -0.0005 0.0086 -0.0002 681 LEU 71 C -0.0003 0.0115 0.0011 682 LEU 71 O 0.0002 0.0123 0.0027 683 LEU 71 CB -0.0016 0.0087 -0.0029 684 LEU 71 CG -0.0019 0.0059 -0.0044 685 LEU 71 CD1 -0.0030 0.0063 -0.0070 686 LEU 71 CD2 -0.0010 0.0037 -0.0028 687 LEU 71 H -0.0012 0.0071 -0.0023 688 LEU 71 HA 0.0001 0.0073 0.0010 689 LEU 71 HB2 -0.0022 0.0101 -0.0040 690 LEU 71 HB3 -0.0016 0.0096 -0.0026 691 LEU 71 HG -0.0020 0.0051 -0.0050 692 LEU 71 HD11 -0.0029 0.0071 -0.0065 693 LEU 71 HD12 -0.0036 0.0078 -0.0081 694 LEU 71 HD13 -0.0032 0.0043 -0.0081 695 LEU 71 HD21 -0.0003 0.0033 -0.0011 696 LEU 71 HD22 -0.0009 0.0045 -0.0022 697 LEU 71 HD23 -0.0013 0.0018 -0.0040 698 LYS 72 N -0.0036 0.0165 0.0008 699 LYS 72 CA -0.0027 0.0174 0.0005 700 LYS 72 C -0.0049 0.0164 0.0024 701 LYS 72 O -0.0047 0.0180 0.0038 702 LYS 72 CB -0.0012 0.0161 -0.0028 703 LYS 72 CG -0.0001 0.0169 -0.0034 704 LYS 72 CD 0.0015 0.0157 -0.0067 705 LYS 72 CE 0.0027 0.0165 -0.0073 706 LYS 72 NZ 0.0043 0.0155 -0.0105 707 LYS 72 H -0.0034 0.0151 -0.0009 708 LYS 72 HA -0.0014 0.0197 0.0013 709 LYS 72 HB2 0.0003 0.0167 -0.0041 710 LYS 72 HB3 -0.0025 0.0137 -0.0035 711 LYS 72 HG2 -0.0016 0.0160 -0.0023 712 LYS 72 HG3 0.0012 0.0193 -0.0025 713 LYS 72 HD2 0.0030 0.0165 -0.0078 714 LYS 72 HD3 0.0002 0.0133 -0.0075 715 LYS 72 HE2 0.0011 0.0156 -0.0062 716 LYS 72 HE3 0.0038 0.0189 -0.0064 717 LYS 72 HZ1 0.0032 0.0132 -0.0115 718 LYS 72 HZ2 0.0058 0.0163 -0.0116 719 LYS 72 HZ3 0.0050 0.0161 -0.0109 720 GLN 73 N 0.0051 0.0225 0.0061 721 GLN 73 CA 0.0078 0.0219 0.0115 722 GLN 73 C 0.0105 0.0190 0.0186 723 GLN 73 O 0.0144 0.0215 0.0236 724 GLN 73 CB 0.0048 0.0170 0.0101 725 GLN 73 CG 0.0023 0.0197 0.0033 726 GLN 73 CD -0.0008 0.0145 0.0020 727 GLN 73 OE1 -0.0026 0.0080 0.0042 728 GLN 73 NE2 -0.0014 0.0174 -0.0016 729 GLN 73 H 0.0018 0.0193 0.0027 730 GLN 73 HA 0.0102 0.0272 0.0114 731 GLN 73 HB2 0.0024 0.0118 0.0100 732 GLN 73 HB3 0.0069 0.0166 0.0142 733 GLN 73 HG2 0.0047 0.0248 0.0034 734 GLN 73 HG3 0.0003 0.0203 -0.0008 735 GLN 73 HE21 0.0001 0.0226 -0.0032 736 GLN 73 HE22 -0.0034 0.0143 -0.0027 737 LEU 74 N 0.0076 0.0166 0.0201 738 LEU 74 CA 0.0095 0.0132 0.0257 739 LEU 74 C 0.0109 0.0193 0.0270 740 LEU 74 O 0.0131 0.0181 0.0325 741 LEU 74 CB 0.0073 0.0048 0.0233 742 LEU 74 CG 0.0090 -0.0003 0.0290 743 LEU 74 CD1 0.0120 -0.0020 0.0367 744 LEU 74 CD2 0.0064 -0.0084 0.0256 745 LEU 74 H 0.0051 0.0147 0.0148 746 LEU 74 HA 0.0116 0.0123 0.0311 747 LEU 74 HB2 0.0061 0.0010 0.0218 748 LEU 74 HB3 0.0053 0.0063 0.0181 749 LEU 74 HG 0.0099 0.0032 0.0300 750 LEU 74 HD11 0.0131 -0.0057 0.0405 751 LEU 74 HD12 0.0112 -0.0055 0.0357 752 LEU 74 HD13 0.0139 0.0038 0.0392 753 LEU 74 HD21 0.0054 -0.0121 0.0244 754 LEU 74 HD22 0.0077 -0.0119 0.0296 755 LEU 74 HD23 0.0043 -0.0071 0.0202 756 SER 75 N 0.0046 0.0166 0.0177 757 SER 75 CA 0.0007 0.0209 0.0160 758 SER 75 C -0.0022 0.0145 0.0091 759 SER 75 O -0.0039 0.0155 0.0079 760 SER 75 CB 0.0053 0.0243 0.0231 761 SER 75 OG 0.0016 0.0289 0.0218 762 SER 75 H 0.0022 0.0185 0.0163 763 SER 75 HA -0.0039 0.0265 0.0144 764 SER 75 HB2 0.0071 0.0289 0.0277 765 SER 75 HB3 0.0099 0.0187 0.0247 766 SER 75 HG 0.0025 0.0344 0.0260 767 VAL 76 N -0.0044 0.0150 0.0070 768 VAL 76 CA -0.0054 0.0122 0.0020 769 VAL 76 C -0.0101 0.0150 -0.0011 770 VAL 76 O -0.0118 0.0153 -0.0031 771 VAL 76 CB -0.0036 0.0085 -0.0004 772 VAL 76 CG1 -0.0047 0.0057 -0.0056 773 VAL 76 CG2 0.0011 0.0057 0.0025 774 VAL 76 H -0.0029 0.0145 0.0083 775 VAL 76 HA -0.0041 0.0109 0.0020 776 VAL 76 HB -0.0049 0.0100 -0.0003 777 VAL 76 HG11 -0.0034 0.0031 -0.0072 778 VAL 76 HG12 -0.0035 0.0043 -0.0058 779 VAL 76 HG13 -0.0081 0.0078 -0.0077 780 VAL 76 HG21 0.0023 0.0031 0.0009 781 VAL 76 HG22 0.0018 0.0076 0.0062 782 VAL 76 HG23 0.0024 0.0042 0.0025 783 GLU 77 N -0.0144 0.0130 -0.0052 784 GLU 77 CA -0.0154 0.0138 -0.0059 785 GLU 77 C -0.0160 0.0127 -0.0034 786 GLU 77 O -0.0140 0.0115 -0.0026 787 GLU 77 CB -0.0134 0.0143 -0.0082 788 GLU 77 CG -0.0102 0.0129 -0.0079 789 GLU 77 CD -0.0084 0.0135 -0.0102 790 GLU 77 OE1 -0.0077 0.0144 -0.0124 791 GLU 77 OE2 -0.0076 0.0130 -0.0098 792 GLU 77 H -0.0131 0.0118 -0.0038 793 GLU 77 HA -0.0174 0.0149 -0.0065 794 GLU 77 HB2 -0.0141 0.0147 -0.0084 795 GLU 77 HB3 -0.0135 0.0153 -0.0101 796 GLU 77 HG2 -0.0094 0.0125 -0.0077 797 GLU 77 HG3 -0.0101 0.0119 -0.0060 798 PRO 78 N -0.0234 0.0123 -0.0030 799 PRO 78 CA -0.0236 0.0065 0.0002 800 PRO 78 C -0.0181 0.0077 -0.0018 801 PRO 78 O -0.0188 0.0135 -0.0049 802 PRO 78 CB -0.0323 0.0073 0.0019 803 PRO 78 CG -0.0367 0.0119 0.0005 804 PRO 78 CD -0.0311 0.0167 -0.0035 805 PRO 78 HA -0.0220 0.0014 0.0026 806 PRO 78 HB2 -0.0326 0.0098 0.0007 807 PRO 78 HB3 -0.0343 0.0021 0.0053 808 PRO 78 HG2 -0.0417 0.0150 0.0001 809 PRO 78 HG3 -0.0386 0.0086 0.0028 810 PRO 78 HD2 -0.0311 0.0215 -0.0061 811 PRO 78 HD3 -0.0324 0.0181 -0.0039 812 TYR 79 N -0.0118 -0.0095 -0.0048 813 TYR 79 CA -0.0009 -0.0110 0.0001 814 TYR 79 C 0.0068 0.0006 0.0004 815 TYR 79 O 0.0065 0.0086 -0.0017 816 TYR 79 CB -0.0021 -0.0159 0.0008 817 TYR 79 CG -0.0083 -0.0283 0.0013 818 TYR 79 CD1 -0.0200 -0.0299 -0.0031 819 TYR 79 CD2 -0.0024 -0.0383 0.0063 820 TYR 79 CE1 -0.0257 -0.0411 -0.0026 821 TYR 79 CE2 -0.0079 -0.0496 0.0068 822 TYR 79 CZ -0.0196 -0.0510 0.0023 823 TYR 79 OH -0.0252 -0.0624 0.0028 824 TYR 79 H -0.0135 -0.0137 -0.0044 825 TYR 79 HA 0.0031 -0.0173 0.0033 826 TYR 79 HB2 -0.0068 -0.0100 -0.0026 827 TYR 79 HB3 0.0063 -0.0163 0.0044 828 TYR 79 HD1 -0.0248 -0.0222 -0.0070 829 TYR 79 HD2 0.0068 -0.0372 0.0098 830 TYR 79 HE1 -0.0348 -0.0422 -0.0061 831 TYR 79 HE2 -0.0031 -0.0574 0.0107 832 TYR 79 HH -0.0221 -0.0666 0.0052 833 SER 80 N 0.0056 -0.0083 -0.0060 834 SER 80 CA 0.0067 -0.0039 -0.0039 835 SER 80 C 0.0119 -0.0047 -0.0016 836 SER 80 O 0.0147 -0.0085 -0.0016 837 SER 80 CB 0.0034 -0.0025 -0.0050 838 SER 80 OG 0.0040 0.0021 -0.0031 839 SER 80 H 0.0051 -0.0110 -0.0071 840 SER 80 HA 0.0062 -0.0010 -0.0031 841 SER 80 HB2 -0.0002 -0.0023 -0.0067 842 SER 80 HB3 0.0040 -0.0053 -0.0057 843 SER 80 HG 0.0023 0.0045 -0.0031 844 GLN 81 N 0.0085 -0.0076 -0.0055 845 GLN 81 CA 0.0081 -0.0076 -0.0042 846 GLN 81 C 0.0076 -0.0069 -0.0051 847 GLN 81 O 0.0072 -0.0061 -0.0065 848 GLN 81 CB 0.0069 -0.0068 -0.0028 849 GLN 81 CG 0.0066 -0.0069 -0.0012 850 GLN 81 CD 0.0055 -0.0061 0.0002 851 GLN 81 OE1 0.0045 -0.0050 -0.0003 852 GLN 81 NE2 0.0055 -0.0065 0.0018 853 GLN 81 H 0.0079 -0.0071 -0.0056 854 GLN 81 HA 0.0089 -0.0086 -0.0036 855 GLN 81 HB2 0.0072 -0.0072 -0.0023 856 GLN 81 HB3 0.0061 -0.0058 -0.0034 857 GLN 81 HG2 0.0064 -0.0066 -0.0017 858 GLN 81 HG3 0.0075 -0.0079 -0.0006 859 GLN 81 HE21 0.0063 -0.0074 0.0020 860 GLN 81 HE22 0.0047 -0.0060 0.0027 861 GLU 82 N 0.0153 -0.0205 -0.0040 862 GLU 82 CA 0.0149 -0.0196 -0.0036 863 GLU 82 C 0.0163 -0.0226 -0.0067 864 GLU 82 O 0.0163 -0.0226 -0.0068 865 GLU 82 CB 0.0134 -0.0147 -0.0044 866 GLU 82 CG 0.0129 -0.0134 -0.0039 867 GLU 82 CD 0.0114 -0.0086 -0.0046 868 GLU 82 OE1 0.0112 -0.0069 -0.0085 869 GLU 82 OE2 0.0103 -0.0064 -0.0011 870 GLU 82 H 0.0156 -0.0224 -0.0015 871 GLU 82 HA 0.0149 -0.0206 -0.0001 872 GLU 82 HB2 0.0125 -0.0129 -0.0020 873 GLU 82 HB3 0.0135 -0.0138 -0.0078 874 GLU 82 HG2 0.0137 -0.0150 -0.0065 875 GLU 82 HG3 0.0129 -0.0144 -0.0006 876 GLU 83 N 0.0231 -0.0222 -0.0073 877 GLU 83 CA 0.0206 -0.0220 -0.0055 878 GLU 83 C 0.0203 -0.0168 -0.0060 879 GLU 83 O 0.0216 -0.0161 -0.0071 880 GLU 83 CB 0.0164 -0.0238 -0.0021 881 GLU 83 CG 0.0135 -0.0238 0.0000 882 GLU 83 CD 0.0097 -0.0261 0.0033 883 GLU 83 OE1 0.0070 -0.0237 0.0048 884 GLU 83 OE2 0.0093 -0.0305 0.0042 885 GLU 83 H 0.0225 -0.0197 -0.0072 886 GLU 83 HA 0.0221 -0.0246 -0.0062 887 GLU 83 HB2 0.0169 -0.0276 -0.0018 888 GLU 83 HB3 0.0150 -0.0214 -0.0014 889 GLU 83 HG2 0.0128 -0.0200 0.0000 890 GLU 83 HG3 0.0150 -0.0259 -0.0007 891 ALA 84 N 0.0256 -0.0195 -0.0051 892 ALA 84 CA 0.0297 -0.0182 -0.0022 893 ALA 84 C 0.0294 -0.0182 0.0001 894 ALA 84 O 0.0317 -0.0174 0.0036 895 ALA 84 CB 0.0304 -0.0179 0.0015 896 ALA 84 H 0.0228 -0.0203 -0.0034 897 ALA 84 HA 0.0326 -0.0174 -0.0047 898 ALA 84 HB1 0.0334 -0.0169 0.0036 899 ALA 84 HB2 0.0274 -0.0187 0.0038 900 ALA 84 HB3 0.0309 -0.0178 -0.0004 901 GLU 85 N 0.0169 -0.0238 -0.0068 902 GLU 85 CA 0.0128 -0.0259 -0.0053 903 GLU 85 C 0.0085 -0.0232 -0.0074 904 GLU 85 O 0.0067 -0.0228 -0.0077 905 GLU 85 CB 0.0123 -0.0298 -0.0025 906 GLU 85 CG 0.0086 -0.0328 -0.0004 907 GLU 85 CD 0.0032 -0.0317 -0.0013 908 GLU 85 OE1 0.0011 -0.0326 -0.0007 909 GLU 85 OE2 0.0010 -0.0299 -0.0027 910 GLU 85 H 0.0162 -0.0213 -0.0086 911 GLU 85 HA 0.0131 -0.0266 -0.0048 912 GLU 85 HB2 0.0158 -0.0312 -0.0014 913 GLU 85 HB3 0.0112 -0.0290 -0.0031 914 GLU 85 HG2 0.0094 -0.0324 -0.0007 915 GLU 85 HG3 0.0094 -0.0357 0.0017 916 ARG 86 N 0.0111 -0.0251 -0.0313 917 ARG 86 CA 0.0127 -0.0225 -0.0262 918 ARG 86 C 0.0060 -0.0229 -0.0307 919 ARG 86 O -0.0028 -0.0225 -0.0353 920 ARG 86 CB 0.0120 -0.0156 -0.0155 921 ARG 86 CG 0.0026 -0.0110 -0.0135 922 ARG 86 CD -0.0081 -0.0094 -0.0172 923 ARG 86 NE -0.0165 -0.0055 -0.0158 924 ARG 86 CZ -0.0267 -0.0044 -0.0198 925 ARG 86 NH1 -0.0300 -0.0065 -0.0252 926 ARG 86 NH2 -0.0334 -0.0010 -0.0183 927 ARG 86 H 0.0040 -0.0234 -0.0328 928 ARG 86 HA 0.0207 -0.0255 -0.0264 929 ARG 86 HB2 0.0114 -0.0135 -0.0124 930 ARG 86 HB3 0.0192 -0.0160 -0.0120 931 ARG 86 HG2 0.0034 -0.0066 -0.0060 932 ARG 86 HG3 0.0031 -0.0131 -0.0167 933 ARG 86 HD2 -0.0087 -0.0138 -0.0247 934 ARG 86 HD3 -0.0088 -0.0068 -0.0134 935 ARG 86 HE -0.0143 -0.0038 -0.0116 936 ARG 86 HH11 -0.0253 -0.0091 -0.0266 937 ARG 86 HH12 -0.0376 -0.0056 -0.0282 938 ARG 86 HH21 -0.0312 0.0007 -0.0142 939 ARG 86 HH22 -0.0411 -0.0000 -0.0212 940 ALA 87 N -0.0021 -0.0183 -0.0267 941 ALA 87 CA -0.0080 -0.0187 -0.0315 942 ALA 87 C -0.0117 -0.0114 -0.0251 943 ALA 87 O -0.0125 -0.0112 -0.0255 944 ALA 87 CB -0.0018 -0.0253 -0.0353 945 ALA 87 H 0.0045 -0.0190 -0.0229 946 ALA 87 HA -0.0140 -0.0194 -0.0368 947 ALA 87 HB1 0.0043 -0.0246 -0.0300 948 ALA 87 HB2 0.0008 -0.0304 -0.0398 949 ALA 87 HB3 -0.0061 -0.0256 -0.0387 950 ALA 88 N -0.0174 -0.0086 -0.0256 951 ALA 88 CA -0.0181 -0.0040 -0.0261 952 ALA 88 C -0.0176 -0.0087 -0.0254 953 ALA 88 O -0.0128 -0.0104 -0.0288 954 ALA 88 CB -0.0136 0.0015 -0.0310 955 ALA 88 H -0.0140 -0.0127 -0.0273 956 ALA 88 HA -0.0226 -0.0009 -0.0233 957 ALA 88 HB1 -0.0091 -0.0016 -0.0339 958 ALA 88 HB2 -0.0141 0.0048 -0.0315 959 ALA 88 HB3 -0.0144 0.0050 -0.0312 960 GLY 89 N -0.0180 -0.0156 -0.0105 961 GLY 89 CA -0.0196 -0.0226 -0.0081 962 GLY 89 C -0.0099 -0.0226 -0.0010 963 GLY 89 O -0.0035 -0.0252 0.0050 964 GLY 89 H -0.0119 -0.0100 -0.0087 965 GLY 89 HA2 -0.0232 -0.0308 -0.0067 966 GLY 89 HA3 -0.0241 -0.0199 -0.0128 967 MET 90 N 0.0175 -0.0263 0.0280 968 MET 90 CA 0.0109 -0.0265 0.0202 969 MET 90 C 0.0014 -0.0199 0.0301 970 MET 90 O 0.0065 -0.0189 0.0391 971 MET 90 CB 0.0225 -0.0326 0.0142 972 MET 90 CG 0.0168 -0.0340 0.0032 973 MET 90 SD 0.0052 -0.0276 0.0104 974 MET 90 CE 0.0024 -0.0314 -0.0048 975 MET 90 H 0.0149 -0.0267 0.0239 976 MET 90 HA 0.0038 -0.0268 0.0112 977 MET 90 HB2 0.0297 -0.0369 0.0087 978 MET 90 HB3 0.0286 -0.0318 0.0234 979 MET 90 HG2 0.0106 -0.0347 -0.0060 980 MET 90 HG3 0.0260 -0.0386 -0.0007 981 MET 90 HE1 -0.0028 -0.0325 -0.0142 982 MET 90 HE2 -0.0044 -0.0281 -0.0021 983 MET 90 HE3 0.0127 -0.0359 -0.0075 984 GLY 91 N 0.0100 -0.0083 0.0098 985 GLY 91 CA 0.0071 0.0124 -0.0022 986 GLY 91 C -0.0041 0.0074 -0.0034 987 GLY 91 O 0.0075 0.0123 -0.0020 988 GLY 91 H 0.0197 -0.0186 0.0186 989 GLY 91 HA2 -0.0043 0.0214 -0.0109 990 GLY 91 HA3 0.0247 0.0226 -0.0016 991 SER 92 N -0.0256 0.0180 0.0005 992 SER 92 CA -0.0323 0.0164 -0.0031 993 SER 92 C -0.0353 0.0190 0.0008 994 SER 92 O -0.0307 0.0193 0.0020 995 SER 92 CB -0.0299 0.0119 -0.0105 996 SER 92 OG -0.0272 0.0096 -0.0141 997 SER 92 H -0.0206 0.0180 0.0011 998 SER 92 HA -0.0372 0.0165 -0.0036 999 SER 92 HB2 -0.0251 0.0117 -0.0102 1000 SER 92 HB3 -0.0351 0.0106 -0.0134 1001 SER 92 HG -0.0265 0.0116 -0.0105 1002 TYR 93 N -0.0150 0.0267 -0.0135 1003 TYR 93 CA -0.0212 0.0295 0.0257 1004 TYR 93 C 0.0040 -0.0213 0.1236 1005 TYR 93 O 0.0363 -0.0700 0.1412 1006 TYR 93 CB 0.0123 -0.0068 -0.0482 1007 TYR 93 CG 0.0030 0.0027 -0.0243 1008 TYR 93 CD1 -0.0417 0.0715 -0.0579 1009 TYR 93 CD2 0.0387 -0.0566 0.0313 1010 TYR 93 CE1 -0.0509 0.0813 -0.0367 1011 TYR 93 CE2 0.0298 -0.0472 0.0528 1012 TYR 93 CZ -0.0149 0.0217 0.0186 1013 TYR 93 OH -0.0241 0.0313 0.0406 1014 TYR 93 H 0.0241 -0.0258 -0.0336 1015 TYR 93 HA -0.0660 0.0917 0.0367 1016 TYR 93 HB2 -0.0004 0.0223 -0.1204 1017 TYR 93 HB3 0.0574 -0.0707 -0.0510 1018 TYR 93 HD1 -0.0698 0.1182 -0.1015 1019 TYR 93 HD2 0.0738 -0.1108 0.0582 1020 TYR 93 HE1 -0.0860 0.1355 -0.0635 1021 TYR 93 HE2 0.0579 -0.0939 0.0963 1022 TYR 93 HH -0.0234 0.0197 0.1108 1023 VAL 94 N 0.0169 -0.0212 0.1121 1024 VAL 94 CA 0.0080 0.0181 0.0436 1025 VAL 94 C -0.0297 0.0912 0.0533 1026 VAL 94 O -0.0413 0.1093 0.0706 1027 VAL 94 CB 0.0311 -0.0098 -0.0166 1028 VAL 94 CG1 0.0306 -0.0156 0.0058 1029 VAL 94 CG2 0.0219 0.0312 -0.0878 1030 VAL 94 H 0.0334 -0.0565 0.1180 1031 VAL 94 HA 0.0118 0.0157 0.0267 1032 VAL 94 HB 0.0565 -0.0585 -0.0247 1033 VAL 94 HG11 0.0468 -0.0350 -0.0372 1034 VAL 94 HG12 0.0053 0.0321 0.0167 1035 VAL 94 HG13 0.0392 -0.0481 0.0539 1036 VAL 94 HG21 -0.0039 0.0810 -0.0804 1037 VAL 94 HG22 0.0380 0.0112 -0.1281 1038 VAL 94 HG23 0.0249 0.0306 -0.1055