1 ASP 28 N 0.0086 0.0066 0.0042 2 ASP 28 CA 0.0038 0.0037 0.0003 3 ASP 28 C -0.0021 0.0063 -0.0027 4 ASP 28 O -0.0035 0.0125 -0.0017 5 ASP 28 CB 0.0034 0.0056 0.0006 6 ASP 28 CG -0.0014 0.0027 -0.0033 7 ASP 28 OD1 -0.0009 -0.0036 -0.0049 8 ASP 28 OD2 -0.0056 0.0067 -0.0048 9 ASP 28 H 0.0127 0.0050 0.0064 10 ASP 28 HA 0.0048 -0.0018 -0.0007 11 ASP 28 HB2 0.0077 0.0037 0.0028 12 ASP 28 HB3 0.0026 0.0111 0.0017 13 PRO 29 N -0.0082 -0.0018 0.0010 14 PRO 29 CA -0.0055 -0.0015 0.0012 15 PRO 29 C -0.0033 -0.0038 0.0008 16 PRO 29 O -0.0028 -0.0044 0.0007 17 PRO 29 CB -0.0043 0.0014 0.0019 18 PRO 29 CG -0.0068 0.0029 0.0021 19 PRO 29 CD -0.0088 0.0007 0.0015 20 PRO 29 HA -0.0059 -0.0015 0.0011 21 PRO 29 HB2 -0.0025 0.0010 0.0019 22 PRO 29 HB3 -0.0035 0.0025 0.0022 23 PRO 29 HG2 -0.0060 0.0043 0.0024 24 PRO 29 HG3 -0.0080 0.0042 0.0023 25 PRO 29 HD2 -0.0082 0.0003 0.0014 26 PRO 29 HD3 -0.0110 0.0014 0.0015 27 ASN 30 N -0.0016 -0.0037 -0.0052 28 ASN 30 CA -0.0025 -0.0032 -0.0021 29 ASN 30 C -0.0004 -0.0019 0.0004 30 ASN 30 O 0.0016 -0.0009 0.0012 31 ASN 30 CB -0.0028 -0.0034 -0.0021 32 ASN 30 CG -0.0037 -0.0029 0.0011 33 ASN 30 OD1 -0.0064 -0.0036 0.0020 34 ASN 30 ND2 -0.0015 -0.0017 0.0027 35 ASN 30 H -0.0031 -0.0046 -0.0063 36 ASN 30 HA -0.0047 -0.0039 -0.0014 37 ASN 30 HB2 -0.0045 -0.0044 -0.0036 38 ASN 30 HB3 -0.0007 -0.0028 -0.0031 39 ASN 30 HD21 0.0006 -0.0011 0.0018 40 ASN 30 HD22 -0.0021 -0.0013 0.0048 41 ALA 31 N 0.0011 0.0020 -0.0014 42 ALA 31 CA 0.0018 0.0014 0.0002 43 ALA 31 C 0.0017 0.0036 0.0026 44 ALA 31 O 0.0025 0.0035 0.0048 45 ALA 31 CB 0.0033 -0.0013 0.0013 46 ALA 31 H 0.0008 0.0034 -0.0007 47 ALA 31 HA 0.0015 0.0014 -0.0011 48 ALA 31 HB1 0.0038 -0.0017 0.0025 49 ALA 31 HB2 0.0037 -0.0013 0.0026 50 ALA 31 HB3 0.0033 -0.0028 -0.0003 51 GLU 32 N 0.0029 -0.0028 -0.0025 52 GLU 32 CA 0.0030 -0.0004 -0.0004 53 GLU 32 C 0.0073 0.0055 0.0031 54 GLU 32 O 0.0095 0.0082 0.0046 55 GLU 32 CB -0.0042 -0.0005 0.0023 56 GLU 32 CG -0.0081 0.0026 0.0067 57 GLU 32 CD -0.0151 0.0025 0.0093 58 GLU 32 OE1 -0.0157 0.0061 0.0128 59 GLU 32 OE2 -0.0200 -0.0013 0.0079 60 GLU 32 H -0.0012 -0.0029 -0.0010 61 GLU 32 HA 0.0053 -0.0029 -0.0036 62 GLU 32 HB2 -0.0038 0.0012 0.0037 63 GLU 32 HB3 -0.0070 -0.0048 -0.0004 64 GLU 32 HG2 -0.0087 0.0008 0.0053 65 GLU 32 HG3 -0.0052 0.0069 0.0093 66 PHE 33 N 0.0062 0.0034 0.0042 67 PHE 33 CA 0.0067 0.0035 0.0047 68 PHE 33 C 0.0078 0.0017 0.0052 69 PHE 33 O 0.0081 0.0003 0.0050 70 PHE 33 CB 0.0053 0.0037 0.0035 71 PHE 33 CG 0.0044 0.0021 0.0022 72 PHE 33 CD1 0.0048 0.0003 0.0021 73 PHE 33 CD2 0.0031 0.0024 0.0012 74 PHE 33 CE1 0.0040 -0.0012 0.0009 75 PHE 33 CE2 0.0023 0.0009 0.0000 76 PHE 33 CZ 0.0028 -0.0009 -0.0001 77 PHE 33 H 0.0055 0.0025 0.0034 78 PHE 33 HA 0.0071 0.0048 0.0055 79 PHE 33 HB2 0.0057 0.0036 0.0038 80 PHE 33 HB3 0.0045 0.0050 0.0032 81 PHE 33 HD1 0.0058 0.0000 0.0029 82 PHE 33 HD2 0.0028 0.0037 0.0013 83 PHE 33 HE1 0.0043 -0.0026 0.0008 84 PHE 33 HE2 0.0014 0.0012 -0.0008 85 PHE 33 HZ 0.0021 -0.0020 -0.0010 86 ASP 34 N 0.0077 0.0005 0.0005 87 ASP 34 CA 0.0073 0.0016 0.0001 88 ASP 34 C 0.0085 0.0020 0.0006 89 ASP 34 O 0.0092 0.0010 0.0011 90 ASP 34 CB 0.0061 0.0009 -0.0004 91 ASP 34 CG 0.0056 0.0020 -0.0009 92 ASP 34 OD1 0.0062 0.0023 -0.0006 93 ASP 34 OD2 0.0045 0.0025 -0.0015 94 ASP 34 H 0.0078 -0.0005 0.0007 95 ASP 34 HA 0.0070 0.0025 -0.0002 96 ASP 34 HB2 0.0054 0.0005 -0.0007 97 ASP 34 HB3 0.0065 -0.0000 -0.0001 98 PRO 35 N 0.0084 -0.0064 0.0069 99 PRO 35 CA 0.0020 -0.0071 0.0059 100 PRO 35 C 0.0024 -0.0047 0.0052 101 PRO 35 O -0.0027 -0.0053 0.0044 102 PRO 35 CB 0.0004 -0.0145 0.0079 103 PRO 35 CG 0.0073 -0.0173 0.0101 104 PRO 35 CD 0.0120 -0.0125 0.0096 105 PRO 35 HA -0.0019 -0.0046 0.0044 106 PRO 35 HB2 -0.0027 -0.0159 0.0078 107 PRO 35 HB3 -0.0021 -0.0158 0.0079 108 PRO 35 HG2 0.0088 -0.0176 0.0106 109 PRO 35 HG3 0.0071 -0.0220 0.0116 110 PRO 35 HD2 0.0168 -0.0119 0.0103 111 PRO 35 HD3 0.0127 -0.0142 0.0102 112 ASP 36 N 0.0320 0.0520 -0.0252 113 ASP 36 CA 0.0242 0.0205 -0.0174 114 ASP 36 C 0.0248 -0.0175 -0.0113 115 ASP 36 O 0.0358 -0.0485 -0.0098 116 ASP 36 CB -0.0136 0.0280 -0.0060 117 ASP 36 CG -0.0240 -0.0045 0.0028 118 ASP 36 OD1 -0.0078 -0.0082 -0.0019 119 ASP 36 OD2 -0.0490 -0.0271 0.0149 120 ASP 36 H 0.0120 0.0622 -0.0202 121 ASP 36 HA 0.0459 0.0191 -0.0244 122 ASP 36 HB2 -0.0124 0.0546 -0.0108 123 ASP 36 HB3 -0.0351 0.0319 0.0005 124 LEU 37 N 0.0049 -0.0082 -0.0044 125 LEU 37 CA 0.0046 -0.0120 -0.0038 126 LEU 37 C 0.0086 -0.0133 -0.0047 127 LEU 37 O 0.0106 -0.0106 -0.0055 128 LEU 37 CB 0.0011 -0.0119 -0.0029 129 LEU 37 CG -0.0034 -0.0120 -0.0018 130 LEU 37 CD1 -0.0040 -0.0160 -0.0011 131 LEU 37 CD2 -0.0046 -0.0082 -0.0019 132 LEU 37 H 0.0043 -0.0055 -0.0046 133 LEU 37 HA 0.0039 -0.0144 -0.0033 134 LEU 37 HB2 0.0014 -0.0090 -0.0034 135 LEU 37 HB3 0.0016 -0.0144 -0.0027 136 LEU 37 HG -0.0054 -0.0122 -0.0012 137 LEU 37 HD11 -0.0071 -0.0161 -0.0003 138 LEU 37 HD12 -0.0019 -0.0161 -0.0016 139 LEU 37 HD13 -0.0033 -0.0187 -0.0009 140 LEU 37 HD21 -0.0077 -0.0085 -0.0011 141 LEU 37 HD22 -0.0044 -0.0054 -0.0023 142 LEU 37 HD23 -0.0025 -0.0080 -0.0025 143 PRO 38 N 0.0094 -0.0122 -0.0051 144 PRO 38 CA 0.0100 -0.0122 -0.0064 145 PRO 38 C 0.0070 -0.0095 -0.0061 146 PRO 38 O 0.0048 -0.0087 -0.0032 147 PRO 38 CB 0.0115 -0.0150 -0.0035 148 PRO 38 CG 0.0127 -0.0170 -0.0019 149 PRO 38 CD 0.0106 -0.0149 -0.0019 150 PRO 38 HA 0.0116 -0.0123 -0.0092 151 PRO 38 HB2 0.0098 -0.0144 -0.0013 152 PRO 38 HB3 0.0133 -0.0161 -0.0050 153 PRO 38 HG2 0.0127 -0.0184 0.0010 154 PRO 38 HG3 0.0150 -0.0183 -0.0037 155 PRO 38 HD2 0.0087 -0.0144 0.0008 156 PRO 38 HD3 0.0118 -0.0159 -0.0023 157 GLY 39 N 0.0072 -0.0105 -0.0035 158 GLY 39 CA 0.0036 -0.0073 -0.0037 159 GLY 39 C 0.0027 -0.0067 -0.0043 160 GLY 39 O 0.0003 -0.0039 -0.0031 161 GLY 39 H 0.0077 -0.0122 -0.0061 162 GLY 39 HA2 0.0020 -0.0069 -0.0062 163 GLY 39 HA3 0.0033 -0.0056 -0.0007 164 GLY 40 N 0.0055 -0.0067 -0.0028 165 GLY 40 CA 0.0048 -0.0051 -0.0021 166 GLY 40 C 0.0037 -0.0050 -0.0001 167 GLY 40 O 0.0030 -0.0036 0.0007 168 GLY 40 H 0.0059 -0.0079 -0.0032 169 GLY 40 HA2 0.0049 -0.0053 -0.0022 170 GLY 40 HA3 0.0050 -0.0037 -0.0028 171 GLY 41 N 0.0018 -0.0040 -0.0018 172 GLY 41 CA 0.0006 -0.0042 -0.0001 173 GLY 41 C -0.0000 -0.0030 0.0002 174 GLY 41 O -0.0011 -0.0028 0.0015 175 GLY 41 H 0.0026 -0.0051 -0.0023 176 GLY 41 HA2 0.0008 -0.0057 0.0004 177 GLY 41 HA3 0.0000 -0.0037 0.0004 178 LEU 42 N -0.0006 -0.0010 0.0038 179 LEU 42 CA 0.0001 0.0015 0.0034 180 LEU 42 C 0.0004 0.0010 0.0022 181 LEU 42 O 0.0009 0.0029 0.0021 182 LEU 42 CB 0.0011 0.0032 0.0017 183 LEU 42 CG 0.0009 0.0039 0.0026 184 LEU 42 CD1 0.0020 0.0055 0.0006 185 LEU 42 CD2 0.0004 0.0054 0.0054 186 LEU 42 H -0.0003 -0.0018 0.0023 187 LEU 42 HA -0.0003 0.0026 0.0054 188 LEU 42 HB2 0.0014 0.0021 -0.0003 189 LEU 42 HB3 0.0016 0.0051 0.0014 190 LEU 42 HG 0.0004 0.0020 0.0028 191 LEU 42 HD11 0.0019 0.0060 0.0014 192 LEU 42 HD12 0.0025 0.0074 0.0003 193 LEU 42 HD13 0.0023 0.0043 -0.0013 194 LEU 42 HD21 0.0009 0.0073 0.0053 195 LEU 42 HD22 0.0003 0.0059 0.0060 196 LEU 42 HD23 -0.0004 0.0042 0.0068 197 HIS 43 N -0.0027 0.0036 0.0050 198 HIS 43 CA -0.0028 0.0039 0.0058 199 HIS 43 C -0.0020 0.0033 0.0071 200 HIS 43 O -0.0012 0.0024 0.0069 201 HIS 43 CB -0.0028 0.0037 0.0049 202 HIS 43 CG -0.0035 0.0041 0.0035 203 HIS 43 ND1 -0.0045 0.0051 0.0033 204 HIS 43 CD2 -0.0034 0.0037 0.0021 205 HIS 43 CE1 -0.0049 0.0053 0.0020 206 HIS 43 NE2 -0.0043 0.0044 0.0012 207 HIS 43 H -0.0020 0.0028 0.0047 208 HIS 43 HA -0.0036 0.0047 0.0062 209 HIS 43 HB2 -0.0020 0.0028 0.0047 210 HIS 43 HB3 -0.0030 0.0040 0.0055 211 HIS 43 HD1 -0.0049 0.0057 0.0041 212 HIS 43 HD2 -0.0027 0.0029 0.0018 213 HIS 43 HE1 -0.0057 0.0060 0.0016 214 HIS 43 HE2 -0.0044 0.0044 0.0002 215 ARG 44 N -0.0053 0.0004 -0.0046 216 ARG 44 CA -0.0056 0.0011 -0.0058 217 ARG 44 C -0.0050 0.0014 -0.0071 218 ARG 44 O -0.0040 0.0008 -0.0073 219 ARG 44 CB -0.0050 0.0008 -0.0059 220 ARG 44 CG -0.0051 0.0003 -0.0046 221 ARG 44 CD -0.0043 -0.0001 -0.0049 222 ARG 44 NE -0.0043 -0.0007 -0.0036 223 ARG 44 CZ -0.0038 -0.0010 -0.0037 224 ARG 44 NH1 -0.0032 -0.0008 -0.0049 225 ARG 44 NH2 -0.0039 -0.0015 -0.0025 226 ARG 44 H -0.0044 -0.0002 -0.0046 227 ARG 44 HA -0.0066 0.0017 -0.0056 228 ARG 44 HB2 -0.0040 0.0004 -0.0064 229 ARG 44 HB3 -0.0054 0.0014 -0.0066 230 ARG 44 HG2 -0.0061 0.0008 -0.0042 231 ARG 44 HG3 -0.0048 -0.0003 -0.0038 232 ARG 44 HD2 -0.0033 -0.0005 -0.0054 233 ARG 44 HD3 -0.0047 0.0005 -0.0056 234 ARG 44 HE -0.0047 -0.0008 -0.0027 235 ARG 44 HH11 -0.0032 -0.0004 -0.0058 236 ARG 44 HH12 -0.0028 -0.0010 -0.0049 237 ARG 44 HH21 -0.0043 -0.0016 -0.0015 238 ARG 44 HH22 -0.0035 -0.0017 -0.0025 239 CYS 45 N -0.0044 0.0006 -0.0097 240 CYS 45 CA -0.0050 -0.0004 -0.0094 241 CYS 45 C -0.0053 0.0000 -0.0114 242 CYS 45 O -0.0046 0.0015 -0.0120 243 CYS 45 CB -0.0041 0.0001 -0.0078 244 CYS 45 SG -0.0047 -0.0008 -0.0077 245 CYS 45 H -0.0036 0.0018 -0.0097 246 CYS 45 HA -0.0058 -0.0017 -0.0091 247 CYS 45 HB2 -0.0040 -0.0003 -0.0064 248 CYS 45 HB3 -0.0033 0.0015 -0.0079 249 LEU 46 N -0.0071 -0.0003 -0.0198 250 LEU 46 CA -0.0105 -0.0003 -0.0096 251 LEU 46 C -0.0138 -0.0082 -0.0067 252 LEU 46 O -0.0173 -0.0128 -0.0001 253 LEU 46 CB -0.0092 0.0094 -0.0054 254 LEU 46 CG -0.0061 0.0177 -0.0074 255 LEU 46 CD1 -0.0048 0.0270 -0.0036 256 LEU 46 CD2 -0.0077 0.0166 -0.0035 257 LEU 46 H -0.0046 0.0050 -0.0227 258 LEU 46 HA -0.0117 -0.0015 -0.0072 259 LEU 46 HB2 -0.0079 0.0106 -0.0080 260 LEU 46 HB3 -0.0117 0.0092 0.0020 261 LEU 46 HG -0.0037 0.0175 -0.0149 262 LEU 46 HD11 -0.0033 0.0280 -0.0069 263 LEU 46 HD12 -0.0027 0.0328 -0.0048 264 LEU 46 HD13 -0.0073 0.0268 0.0039 265 LEU 46 HD21 -0.0084 0.0103 -0.0068 266 LEU 46 HD22 -0.0104 0.0161 0.0040 267 LEU 46 HD23 -0.0055 0.0227 -0.0048 268 ALA 47 N -0.0075 -0.0019 -0.0095 269 ALA 47 CA -0.0060 -0.0010 -0.0079 270 ALA 47 C -0.0036 -0.0001 -0.0079 271 ALA 47 O -0.0020 0.0007 -0.0072 272 ALA 47 CB -0.0072 -0.0008 -0.0054 273 ALA 47 H -0.0090 -0.0023 -0.0088 274 ALA 47 HA -0.0058 -0.0011 -0.0086 275 ALA 47 HB1 -0.0061 -0.0001 -0.0043 276 ALA 47 HB2 -0.0074 -0.0006 -0.0047 277 ALA 47 HB3 -0.0089 -0.0014 -0.0054 278 CYS 48 N -0.0054 -0.0012 -0.0082 279 CYS 48 CA -0.0035 -0.0002 -0.0083 280 CYS 48 C -0.0029 0.0004 -0.0103 281 CYS 48 O -0.0013 0.0012 -0.0106 282 CYS 48 CB -0.0028 -0.0001 -0.0067 283 CYS 48 SG -0.0031 -0.0006 -0.0043 284 CYS 48 H -0.0062 -0.0015 -0.0086 285 CYS 48 HA -0.0029 -0.0000 -0.0078 286 CYS 48 HB2 -0.0034 -0.0004 -0.0067 287 CYS 48 HB3 -0.0013 0.0006 -0.0068 288 ALA 49 N -0.0049 -0.0015 -0.0123 289 ALA 49 CA -0.0046 -0.0003 -0.0143 290 ALA 49 C -0.0036 0.0017 -0.0121 291 ALA 49 O -0.0029 0.0037 -0.0134 292 ALA 49 CB -0.0042 0.0015 -0.0175 293 ALA 49 H -0.0058 -0.0038 -0.0120 294 ALA 49 HA -0.0055 -0.0024 -0.0150 295 ALA 49 HB1 -0.0033 0.0036 -0.0168 296 ALA 49 HB2 -0.0049 0.0000 -0.0190 297 ALA 49 HB3 -0.0040 0.0022 -0.0190 298 ARG 50 N -0.0074 0.0035 -0.0097 299 ARG 50 CA -0.0013 0.0068 -0.0076 300 ARG 50 C 0.0042 0.0096 -0.0058 301 ARG 50 O 0.0055 0.0061 -0.0058 302 ARG 50 CB 0.0024 0.0012 -0.0072 303 ARG 50 CG -0.0026 -0.0015 -0.0088 304 ARG 50 CD 0.0015 -0.0070 -0.0082 305 ARG 50 NE -0.0032 -0.0099 -0.0099 306 ARG 50 CZ -0.0012 -0.0153 -0.0098 307 ARG 50 NH1 0.0056 -0.0182 -0.0082 308 ARG 50 NH2 -0.0059 -0.0176 -0.0114 309 ARG 50 H -0.0068 -0.0014 -0.0100 310 ARG 50 HA -0.0034 0.0117 -0.0077 311 ARG 50 HB2 0.0044 -0.0037 -0.0071 312 ARG 50 HB3 0.0071 0.0039 -0.0056 313 ARG 50 HG2 -0.0045 0.0034 -0.0089 314 ARG 50 HG3 -0.0073 -0.0043 -0.0104 315 ARG 50 HD2 0.0036 -0.0119 -0.0082 316 ARG 50 HD3 0.0061 -0.0042 -0.0067 317 ARG 50 HE -0.0083 -0.0075 -0.0110 318 ARG 50 HH11 0.0094 -0.0166 -0.0070 319 ARG 50 HH12 0.0074 -0.0222 -0.0081 320 ARG 50 HH21 -0.0111 -0.0155 -0.0126 321 ARG 50 HH22 -0.0045 -0.0217 -0.0114 322 TYR 51 N 0.0005 -0.0052 0.0006 323 TYR 51 CA 0.0001 -0.0056 0.0006 324 TYR 51 C 0.0001 -0.0054 0.0015 325 TYR 51 O 0.0006 -0.0048 0.0017 326 TYR 51 CB 0.0004 -0.0055 -0.0002 327 TYR 51 CG 0.0004 -0.0056 -0.0011 328 TYR 51 CD1 0.0010 -0.0051 -0.0015 329 TYR 51 CD2 -0.0001 -0.0063 -0.0016 330 TYR 51 CE1 0.0010 -0.0053 -0.0023 331 TYR 51 CE2 -0.0000 -0.0064 -0.0024 332 TYR 51 CZ 0.0005 -0.0059 -0.0028 333 TYR 51 OH 0.0006 -0.0060 -0.0036 334 TYR 51 H 0.0010 -0.0047 0.0005 335 TYR 51 HA -0.0004 -0.0061 0.0006 336 TYR 51 HB2 0.0008 -0.0050 -0.0001 337 TYR 51 HB3 0.0000 -0.0058 -0.0002 338 TYR 51 HD1 0.0014 -0.0046 -0.0011 339 TYR 51 HD2 -0.0005 -0.0067 -0.0013 340 TYR 51 HE1 0.0015 -0.0048 -0.0025 341 TYR 51 HE2 -0.0004 -0.0069 -0.0028 342 TYR 51 HH 0.0010 -0.0056 -0.0039 343 PHE 52 N -0.0007 0.0016 0.0042 344 PHE 52 CA -0.0007 0.0018 0.0060 345 PHE 52 C -0.0006 0.0013 0.0075 346 PHE 52 O -0.0005 -0.0000 0.0072 347 PHE 52 CB -0.0006 0.0006 0.0063 348 PHE 52 CG -0.0007 0.0011 0.0049 349 PHE 52 CD1 -0.0006 0.0004 0.0031 350 PHE 52 CD2 -0.0008 0.0023 0.0054 351 PHE 52 CE1 -0.0007 0.0008 0.0018 352 PHE 52 CE2 -0.0009 0.0027 0.0041 353 PHE 52 CZ -0.0008 0.0019 0.0023 354 PHE 52 H -0.0006 0.0003 0.0037 355 PHE 52 HA -0.0009 0.0033 0.0062 356 PHE 52 HB2 -0.0004 -0.0008 0.0061 357 PHE 52 HB3 -0.0006 0.0009 0.0077 358 PHE 52 HD1 -0.0005 -0.0006 0.0027 359 PHE 52 HD2 -0.0009 0.0029 0.0068 360 PHE 52 HE1 -0.0006 0.0002 0.0004 361 PHE 52 HE2 -0.0010 0.0036 0.0045 362 PHE 52 HZ -0.0009 0.0023 0.0013 363 ILE 53 N 0.0023 -0.0024 0.0080 364 ILE 53 CA -0.0008 -0.0053 0.0052 365 ILE 53 C -0.0052 -0.0041 0.0048 366 ILE 53 O -0.0072 -0.0067 0.0025 367 ILE 53 CB -0.0019 -0.0060 0.0043 368 ILE 53 CG1 -0.0041 -0.0022 0.0064 369 ILE 53 CG2 0.0023 -0.0080 0.0041 370 ILE 53 CD1 -0.0055 -0.0027 0.0057 371 ILE 53 H 0.0030 -0.0011 0.0091 372 ILE 53 HA 0.0010 -0.0080 0.0038 373 ILE 53 HB -0.0044 -0.0080 0.0023 374 ILE 53 HG12 -0.0016 -0.0001 0.0085 375 ILE 53 HG13 -0.0071 -0.0010 0.0065 376 ILE 53 HG21 0.0050 -0.0061 0.0061 377 ILE 53 HG22 0.0036 -0.0107 0.0025 378 ILE 53 HG23 0.0015 -0.0085 0.0035 379 ILE 53 HD11 -0.0080 -0.0046 0.0037 380 ILE 53 HD12 -0.0068 0.0001 0.0073 381 ILE 53 HD13 -0.0025 -0.0039 0.0057 382 ASP 54 N -0.0041 0.0034 0.0089 383 ASP 54 CA -0.0039 0.0060 0.0076 384 ASP 54 C -0.0042 0.0070 0.0089 385 ASP 54 O -0.0045 0.0053 0.0101 386 ASP 54 CB -0.0031 0.0055 0.0045 387 ASP 54 CG -0.0028 0.0081 0.0029 388 ASP 54 OD1 -0.0027 0.0098 0.0022 389 ASP 54 OD2 -0.0027 0.0086 0.0024 390 ASP 54 H -0.0043 0.0021 0.0097 391 ASP 54 HA -0.0040 0.0076 0.0079 392 ASP 54 HB2 -0.0029 0.0047 0.0036 393 ASP 54 HB3 -0.0030 0.0039 0.0042 394 SER 55 N -0.0033 0.0097 0.0050 395 SER 55 CA -0.0045 0.0127 0.0081 396 SER 55 C -0.0034 0.0094 0.0054 397 SER 55 O -0.0043 0.0084 0.0091 398 SER 55 CB -0.0050 0.0207 0.0070 399 SER 55 OG -0.0061 0.0240 0.0098 400 SER 55 H -0.0029 0.0129 0.0022 401 SER 55 HA -0.0059 0.0115 0.0135 402 SER 55 HB2 -0.0059 0.0227 0.0096 403 SER 55 HB3 -0.0037 0.0221 0.0017 404 SER 55 HG -0.0052 0.0242 0.0064 405 THR 56 N 0.0005 0.0149 0.0060 406 THR 56 CA 0.0031 0.0093 0.0030 407 THR 56 C 0.0013 0.0014 0.0059 408 THR 56 O 0.0007 -0.0029 0.0068 409 THR 56 CB 0.0083 0.0093 -0.0036 410 THR 56 OG1 0.0099 0.0169 -0.0061 411 THR 56 CG2 0.0113 0.0042 -0.0071 412 THR 56 H 0.0022 0.0175 0.0037 413 THR 56 HA 0.0027 0.0108 0.0034 414 THR 56 HB 0.0086 0.0071 -0.0039 415 THR 56 HG1 0.0089 0.0192 -0.0051 416 THR 56 HG21 0.0149 0.0043 -0.0117 417 THR 56 HG22 0.0109 0.0063 -0.0067 418 THR 56 HG23 0.0101 -0.0015 -0.0052 419 ASN 57 N -0.0027 0.0028 0.0094 420 ASN 57 CA -0.0032 0.0013 0.0100 421 ASN 57 C -0.0039 0.0013 0.0113 422 ASN 57 O -0.0041 0.0002 0.0116 423 ASN 57 CB -0.0033 0.0008 0.0102 424 ASN 57 CG -0.0028 0.0001 0.0089 425 ASN 57 OD1 -0.0028 -0.0013 0.0087 426 ASN 57 ND2 -0.0022 0.0010 0.0081 427 ASN 57 H -0.0026 0.0034 0.0094 428 ASN 57 HA -0.0029 0.0005 0.0092 429 ASN 57 HB2 -0.0034 0.0018 0.0105 430 ASN 57 HB3 -0.0039 0.0001 0.0110 431 ASN 57 HD21 -0.0022 0.0021 0.0083 432 ASN 57 HD22 -0.0019 0.0005 0.0073 433 LEU 58 N -0.0041 0.0027 0.0113 434 LEU 58 CA -0.0052 0.0020 0.0105 435 LEU 58 C -0.0055 0.0005 0.0111 436 LEU 58 O -0.0059 -0.0000 0.0110 437 LEU 58 CB -0.0060 0.0023 0.0095 438 LEU 58 CG -0.0073 0.0016 0.0086 439 LEU 58 CD1 -0.0077 0.0001 0.0091 440 LEU 58 CD2 -0.0077 0.0016 0.0082 441 LEU 58 H -0.0039 0.0030 0.0112 442 LEU 58 HA -0.0053 0.0026 0.0101 443 LEU 58 HB2 -0.0059 0.0034 0.0090 444 LEU 58 HB3 -0.0058 0.0020 0.0099 445 LEU 58 HG -0.0078 0.0021 0.0078 446 LEU 58 HD11 -0.0087 -0.0004 0.0084 447 LEU 58 HD12 -0.0073 -0.0005 0.0098 448 LEU 58 HD13 -0.0076 0.0001 0.0093 449 LEU 58 HD21 -0.0073 0.0011 0.0090 450 LEU 58 HD22 -0.0086 0.0012 0.0076 451 LEU 58 HD23 -0.0074 0.0027 0.0079 452 LYS 59 N -0.0076 0.0012 0.0097 453 LYS 59 CA -0.0065 -0.0008 0.0085 454 LYS 59 C -0.0054 -0.0065 0.0065 455 LYS 59 O -0.0065 -0.0095 0.0066 456 LYS 59 CB -0.0029 0.0028 0.0067 457 LYS 59 CG 0.0014 0.0034 0.0036 458 LYS 59 CD 0.0046 0.0074 0.0021 459 LYS 59 CE 0.0058 0.0057 0.0009 460 LYS 59 NZ 0.0080 0.0009 -0.0017 461 LYS 59 H -0.0059 0.0043 0.0091 462 LYS 59 HA -0.0094 -0.0009 0.0106 463 LYS 59 HB2 -0.0025 0.0014 0.0060 464 LYS 59 HB3 -0.0040 0.0066 0.0082 465 LYS 59 HG2 0.0010 0.0047 0.0042 466 LYS 59 HG3 0.0027 -0.0003 0.0019 467 LYS 59 HD2 0.0032 0.0110 0.0039 468 LYS 59 HD3 0.0075 0.0081 0.0002 469 LYS 59 HE2 0.0029 0.0049 0.0029 470 LYS 59 HE3 0.0078 0.0088 0.0001 471 LYS 59 HZ1 0.0109 0.0017 -0.0037 472 LYS 59 HZ2 0.0087 -0.0001 -0.0024 473 LYS 59 HZ3 0.0062 -0.0023 -0.0011 474 THR 60 N -0.0009 -0.0030 0.0084 475 THR 60 CA 0.0002 -0.0061 0.0079 476 THR 60 C -0.0010 -0.0085 0.0105 477 THR 60 O -0.0008 -0.0108 0.0111 478 THR 60 CB 0.0021 -0.0072 0.0055 479 THR 60 OG1 0.0032 -0.0050 0.0032 480 THR 60 CG2 0.0033 -0.0105 0.0050 481 THR 60 H -0.0004 -0.0020 0.0074 482 THR 60 HA 0.0005 -0.0060 0.0075 483 THR 60 HB 0.0017 -0.0072 0.0061 484 THR 60 HG1 0.0027 -0.0031 0.0033 485 THR 60 HG21 0.0046 -0.0112 0.0033 486 THR 60 HG22 0.0036 -0.0105 0.0045 487 THR 60 HG23 0.0025 -0.0122 0.0068 488 HIS 61 N -0.0031 -0.0034 0.0103 489 HIS 61 CA -0.0025 -0.0022 0.0086 490 HIS 61 C -0.0033 -0.0037 0.0083 491 HIS 61 O -0.0028 -0.0027 0.0079 492 HIS 61 CB -0.0022 -0.0015 0.0058 493 HIS 61 CG -0.0020 -0.0011 0.0035 494 HIS 61 ND1 -0.0009 0.0008 0.0033 495 HIS 61 CD2 -0.0030 -0.0025 0.0014 496 HIS 61 CE1 -0.0011 0.0006 0.0012 497 HIS 61 NE2 -0.0024 -0.0013 0.0001 498 HIS 61 H -0.0034 -0.0039 0.0095 499 HIS 61 HA -0.0015 -0.0006 0.0096 500 HIS 61 HB2 -0.0012 0.0000 0.0060 501 HIS 61 HB3 -0.0031 -0.0029 0.0052 502 HIS 61 HD1 -0.0000 0.0022 0.0046 503 HIS 61 HD2 -0.0040 -0.0041 0.0009 504 HIS 61 HE1 -0.0006 0.0016 0.0004 505 PHE 62 N -0.0047 -0.0039 0.0042 506 PHE 62 CA -0.0054 -0.0051 0.0039 507 PHE 62 C -0.0049 -0.0061 0.0048 508 PHE 62 O -0.0054 -0.0072 0.0047 509 PHE 62 CB -0.0061 -0.0058 0.0035 510 PHE 62 CG -0.0065 -0.0050 0.0027 511 PHE 62 CD1 -0.0071 -0.0042 0.0018 512 PHE 62 CD2 -0.0063 -0.0049 0.0029 513 PHE 62 CE1 -0.0074 -0.0034 0.0011 514 PHE 62 CE2 -0.0067 -0.0041 0.0022 515 PHE 62 CZ -0.0072 -0.0034 0.0013 516 PHE 62 H -0.0044 -0.0039 0.0045 517 PHE 62 HA -0.0059 -0.0048 0.0033 518 PHE 62 HB2 -0.0057 -0.0064 0.0042 519 PHE 62 HB3 -0.0067 -0.0065 0.0031 520 PHE 62 HD1 -0.0072 -0.0042 0.0017 521 PHE 62 HD2 -0.0059 -0.0055 0.0036 522 PHE 62 HE1 -0.0079 -0.0028 0.0004 523 PHE 62 HE2 -0.0065 -0.0041 0.0024 524 PHE 62 HZ -0.0075 -0.0027 0.0008 525 ARG 63 N 0.0005 -0.0058 0.0061 526 ARG 63 CA 0.0012 -0.0069 0.0082 527 ARG 63 C 0.0029 -0.0091 0.0120 528 ARG 63 O 0.0038 -0.0103 0.0141 529 ARG 63 CB 0.0034 -0.0073 0.0055 530 ARG 63 CG 0.0014 -0.0050 0.0022 531 ARG 63 CD 0.0038 -0.0055 -0.0005 532 ARG 63 NE 0.0049 -0.0070 0.0017 533 ARG 63 CZ 0.0065 -0.0073 0.0001 534 ARG 63 NH1 0.0069 -0.0063 -0.0039 535 ARG 63 NH2 0.0076 -0.0087 0.0024 536 ARG 63 H 0.0021 -0.0059 0.0035 537 ARG 63 HA -0.0015 -0.0056 0.0093 538 ARG 63 HB2 0.0060 -0.0083 0.0041 539 ARG 63 HB3 0.0041 -0.0083 0.0073 540 ARG 63 HG2 -0.0010 -0.0040 0.0036 541 ARG 63 HG3 0.0007 -0.0040 0.0004 542 ARG 63 HD2 0.0022 -0.0039 -0.0028 543 ARG 63 HD3 0.0062 -0.0064 -0.0021 544 ARG 63 HE 0.0046 -0.0077 0.0047 545 ARG 63 HH11 0.0061 -0.0052 -0.0058 546 ARG 63 HH12 0.0081 -0.0065 -0.0053 547 ARG 63 HH21 0.0072 -0.0095 0.0054 548 ARG 63 HH22 0.0088 -0.0091 0.0013 549 SER 64 N 0.0099 0.0042 0.0248 550 SER 64 CA 0.0121 0.0066 0.0247 551 SER 64 C 0.0090 0.0032 0.0239 552 SER 64 O 0.0074 0.0012 0.0190 553 SER 64 CB 0.0149 0.0097 0.0193 554 SER 64 OG 0.0171 0.0122 0.0190 555 SER 64 H 0.0096 0.0038 0.0211 556 SER 64 HA 0.0137 0.0085 0.0287 557 SER 64 HB2 0.0132 0.0077 0.0153 558 SER 64 HB3 0.0169 0.0120 0.0197 559 SER 64 HG 0.0191 0.0145 0.0221 560 LYS 65 N 0.0194 0.0172 0.0540 561 LYS 65 CA 0.0260 -0.0020 0.0358 562 LYS 65 C 0.0082 -0.0003 0.0165 563 LYS 65 O 0.0126 -0.0112 0.0069 564 LYS 65 CB 0.0372 -0.0189 0.0264 565 LYS 65 CG 0.0253 -0.0143 0.0182 566 LYS 65 CD 0.0041 -0.0107 -0.0028 567 LYS 65 CE -0.0069 -0.0062 -0.0099 568 LYS 65 NZ -0.0281 -0.0016 -0.0295 569 LYS 65 H 0.0200 0.0190 0.0572 570 LYS 65 HA 0.0378 -0.0061 0.0446 571 LYS 65 HB2 0.0396 -0.0318 0.0117 572 LYS 65 HB3 0.0528 -0.0231 0.0398 573 LYS 65 HG2 0.0355 -0.0267 0.0137 574 LYS 65 HG3 0.0222 -0.0011 0.0325 575 LYS 65 HD2 -0.0064 0.0016 0.0012 576 LYS 65 HD3 0.0074 -0.0242 -0.0171 577 LYS 65 HE2 0.0033 -0.0191 -0.0152 578 LYS 65 HE3 -0.0088 0.0064 0.0049 579 LYS 65 HZ1 -0.0269 -0.0134 -0.0442 580 LYS 65 HZ2 -0.0386 0.0111 -0.0251 581 LYS 65 HZ3 -0.0349 0.0011 -0.0342 582 ASP 66 N 0.0141 0.0029 0.0251 583 ASP 66 CA 0.0069 0.0036 0.0189 584 ASP 66 C 0.0042 0.0076 0.0195 585 ASP 66 O -0.0000 0.0062 0.0145 586 ASP 66 CB 0.0017 0.0080 0.0175 587 ASP 66 CG -0.0055 0.0076 0.0105 588 ASP 66 OD1 -0.0065 0.0021 0.0055 589 ASP 66 OD2 -0.0105 0.0128 0.0098 590 ASP 66 H 0.0148 0.0061 0.0282 591 ASP 66 HA 0.0071 -0.0023 0.0147 592 ASP 66 HB2 0.0042 0.0056 0.0179 593 ASP 66 HB3 0.0010 0.0140 0.0213 594 HIS 67 N 0.0003 0.0069 0.0129 595 HIS 67 CA -0.0002 0.0064 0.0095 596 HIS 67 C -0.0031 0.0048 0.0088 597 HIS 67 O -0.0035 0.0045 0.0068 598 HIS 67 CB 0.0002 0.0066 0.0082 599 HIS 67 CG 0.0000 0.0063 0.0048 600 HIS 67 ND1 0.0009 0.0066 0.0027 601 HIS 67 CD2 -0.0001 0.0061 0.0032 602 HIS 67 CE1 0.0014 0.0067 -0.0000 603 HIS 67 NE2 0.0009 0.0064 0.0002 604 HIS 67 H 0.0007 0.0072 0.0140 605 HIS 67 HA 0.0012 0.0071 0.0082 606 HIS 67 HB2 0.0023 0.0077 0.0085 607 HIS 67 HB3 -0.0013 0.0058 0.0092 608 HIS 67 HD1 0.0012 0.0068 0.0031 609 HIS 67 HD2 -0.0012 0.0055 0.0043 610 HIS 67 HE1 0.0022 0.0070 -0.0022 611 LYS 68 N -0.0018 -0.0027 0.0021 612 LYS 68 CA -0.0027 -0.0022 0.0021 613 LYS 68 C -0.0043 -0.0038 0.0027 614 LYS 68 O -0.0058 -0.0034 0.0028 615 LYS 68 CB -0.0010 -0.0022 0.0019 616 LYS 68 CG 0.0007 -0.0007 0.0013 617 LYS 68 CD 0.0024 -0.0007 0.0011 618 LYS 68 CE 0.0034 -0.0028 0.0014 619 LYS 68 NZ 0.0051 -0.0029 0.0012 620 LYS 68 H -0.0004 -0.0032 0.0020 621 LYS 68 HA -0.0035 -0.0008 0.0019 622 LYS 68 HB2 -0.0004 -0.0037 0.0021 623 LYS 68 HB3 -0.0016 -0.0017 0.0018 624 LYS 68 HG2 0.0001 0.0008 0.0010 625 LYS 68 HG3 0.0013 -0.0012 0.0013 626 LYS 68 HD2 0.0017 -0.0003 0.0011 627 LYS 68 HD3 0.0035 0.0003 0.0007 628 LYS 68 HE2 0.0040 -0.0033 0.0015 629 LYS 68 HE3 0.0023 -0.0039 0.0018 630 LYS 68 HZ1 0.0047 -0.0024 0.0012 631 LYS 68 HZ2 0.0058 -0.0043 0.0015 632 LYS 68 HZ3 0.0062 -0.0019 0.0008 633 LYS 69 N 0.0044 0.0033 0.0077 634 LYS 69 CA 0.0028 0.0015 0.0071 635 LYS 69 C 0.0001 0.0023 0.0081 636 LYS 69 O -0.0010 0.0020 0.0082 637 LYS 69 CB 0.0026 -0.0006 0.0060 638 LYS 69 CG 0.0005 -0.0026 0.0055 639 LYS 69 CD 0.0006 -0.0043 0.0046 640 LYS 69 CE -0.0014 -0.0064 0.0040 641 LYS 69 NZ -0.0012 -0.0079 0.0032 642 LYS 69 H 0.0051 0.0029 0.0073 643 LYS 69 HA 0.0037 0.0011 0.0067 644 LYS 69 HB2 0.0045 -0.0014 0.0053 645 LYS 69 HB3 0.0024 -0.0000 0.0064 646 LYS 69 HG2 -0.0012 -0.0017 0.0063 647 LYS 69 HG3 0.0009 -0.0034 0.0050 648 LYS 69 HD2 0.0025 -0.0051 0.0038 649 LYS 69 HD3 0.0005 -0.0034 0.0051 650 LYS 69 HE2 -0.0033 -0.0057 0.0048 651 LYS 69 HE3 -0.0012 -0.0074 0.0034 652 LYS 69 HZ1 -0.0027 -0.0093 0.0028 653 LYS 69 HZ2 -0.0014 -0.0069 0.0037 654 LYS 69 HZ3 0.0006 -0.0085 0.0025 655 ARG 70 N -0.0029 0.0094 0.0161 656 ARG 70 CA -0.0031 0.0112 0.0103 657 ARG 70 C -0.0030 0.0065 0.0084 658 ARG 70 O -0.0031 0.0053 0.0030 659 ARG 70 CB -0.0033 0.0175 0.0107 660 ARG 70 CG -0.0035 0.0199 0.0046 661 ARG 70 CD -0.0037 0.0203 0.0000 662 ARG 70 NE -0.0039 0.0223 -0.0059 663 ARG 70 CZ -0.0040 0.0207 -0.0112 664 ARG 70 NH1 -0.0039 0.0169 -0.0113 665 ARG 70 NH2 -0.0042 0.0229 -0.0164 666 ARG 70 H -0.0029 0.0118 0.0197 667 ARG 70 HA -0.0032 0.0112 0.0070 668 ARG 70 HB2 -0.0033 0.0206 0.0128 669 ARG 70 HB3 -0.0032 0.0172 0.0137 670 ARG 70 HG2 -0.0036 0.0245 0.0053 671 ARG 70 HG3 -0.0035 0.0170 0.0029 672 ARG 70 HD2 -0.0035 0.0158 -0.0005 673 ARG 70 HD3 -0.0037 0.0233 0.0017 674 ARG 70 HE -0.0040 0.0252 -0.0059 675 ARG 70 HH11 -0.0037 0.0152 -0.0075 676 ARG 70 HH12 -0.0039 0.0156 -0.0152 677 ARG 70 HH21 -0.0043 0.0258 -0.0164 678 ARG 70 HH22 -0.0043 0.0218 -0.0205 679 LEU 71 N -0.0063 0.0035 0.0046 680 LEU 71 CA -0.0069 0.0024 0.0037 681 LEU 71 C -0.0074 0.0030 0.0042 682 LEU 71 O -0.0070 0.0024 0.0037 683 LEU 71 CB -0.0086 0.0016 0.0032 684 LEU 71 CG -0.0084 0.0009 0.0026 685 LEU 71 CD1 -0.0101 0.0001 0.0020 686 LEU 71 CD2 -0.0067 -0.0001 0.0017 687 LEU 71 H -0.0071 0.0037 0.0048 688 LEU 71 HA -0.0058 0.0017 0.0030 689 LEU 71 HB2 -0.0097 0.0023 0.0039 690 LEU 71 HB3 -0.0090 0.0008 0.0025 691 LEU 71 HG -0.0081 0.0017 0.0033 692 LEU 71 HD11 -0.0104 -0.0008 0.0013 693 LEU 71 HD12 -0.0113 0.0008 0.0027 694 LEU 71 HD13 -0.0099 -0.0004 0.0016 695 LEU 71 HD21 -0.0055 0.0006 0.0021 696 LEU 71 HD22 -0.0069 -0.0009 0.0010 697 LEU 71 HD23 -0.0066 -0.0005 0.0013 698 LYS 72 N -0.0003 -0.0018 0.0101 699 LYS 72 CA 0.0046 0.0048 0.0093 700 LYS 72 C 0.0094 0.0057 0.0127 701 LYS 72 O 0.0150 0.0086 0.0154 702 LYS 72 CB 0.0017 0.0099 0.0030 703 LYS 72 CG 0.0063 0.0170 0.0017 704 LYS 72 CD 0.0030 0.0217 -0.0047 705 LYS 72 CE 0.0076 0.0288 -0.0061 706 LYS 72 NZ 0.0044 0.0334 -0.0122 707 LYS 72 H -0.0046 -0.0023 0.0068 708 LYS 72 HA 0.0069 0.0053 0.0109 709 LYS 72 HB2 -0.0018 0.0091 0.0007 710 LYS 72 HB3 -0.0007 0.0093 0.0015 711 LYS 72 HG2 0.0095 0.0180 0.0036 712 LYS 72 HG3 0.0089 0.0177 0.0033 713 LYS 72 HD2 -0.0003 0.0206 -0.0066 714 LYS 72 HD3 0.0005 0.0211 -0.0064 715 LYS 72 HE2 0.0107 0.0299 -0.0042 716 LYS 72 HE3 0.0102 0.0293 -0.0042 717 LYS 72 HZ1 0.0018 0.0330 -0.0142 718 LYS 72 HZ2 0.0014 0.0325 -0.0141 719 LYS 72 HZ3 0.0077 0.0382 -0.0131 720 GLN 73 N -0.0035 0.0085 0.0080 721 GLN 73 CA -0.0043 0.0081 0.0086 722 GLN 73 C -0.0051 0.0091 0.0077 723 GLN 73 O -0.0065 0.0091 0.0080 724 GLN 73 CB -0.0030 0.0073 0.0092 725 GLN 73 CG -0.0021 0.0062 0.0102 726 GLN 73 CD -0.0008 0.0055 0.0108 727 GLN 73 OE1 0.0000 0.0060 0.0101 728 GLN 73 NE2 -0.0006 0.0044 0.0119 729 GLN 73 H -0.0022 0.0084 0.0079 730 GLN 73 HA -0.0052 0.0076 0.0094 731 GLN 73 HB2 -0.0020 0.0078 0.0085 732 GLN 73 HB3 -0.0036 0.0070 0.0097 733 GLN 73 HG2 -0.0031 0.0057 0.0110 734 GLN 73 HG3 -0.0015 0.0065 0.0098 735 GLN 73 HE21 -0.0012 0.0041 0.0124 736 GLN 73 HE22 0.0003 0.0039 0.0123 737 LEU 74 N 0.0007 0.0116 0.0046 738 LEU 74 CA 0.0029 0.0086 0.0017 739 LEU 74 C 0.0018 0.0039 0.0007 740 LEU 74 O 0.0038 0.0012 -0.0020 741 LEU 74 CB 0.0026 0.0084 0.0018 742 LEU 74 CG 0.0052 0.0058 -0.0012 743 LEU 74 CD1 0.0093 0.0078 -0.0037 744 LEU 74 CD2 0.0044 0.0059 -0.0006 745 LEU 74 H -0.0014 0.0122 0.0065 746 LEU 74 HA 0.0058 0.0100 -0.0000 747 LEU 74 HB2 0.0031 0.0118 0.0028 748 LEU 74 HB3 -0.0003 0.0068 0.0035 749 LEU 74 HG 0.0045 0.0024 -0.0021 750 LEU 74 HD11 0.0111 0.0060 -0.0057 751 LEU 74 HD12 0.0101 0.0113 -0.0028 752 LEU 74 HD13 0.0099 0.0075 -0.0042 753 LEU 74 HD21 0.0051 0.0093 0.0003 754 LEU 74 HD22 0.0062 0.0041 -0.0028 755 LEU 74 HD23 0.0015 0.0044 0.0011 756 SER 75 N 0.0010 0.0062 0.0042 757 SER 75 CA 0.0002 0.0054 0.0039 758 SER 75 C -0.0021 0.0001 0.0027 759 SER 75 O -0.0018 -0.0020 0.0026 760 SER 75 CB 0.0053 0.0061 0.0052 761 SER 75 OG 0.0046 0.0057 0.0050 762 SER 75 H -0.0014 0.0085 0.0038 763 SER 75 HA -0.0025 0.0083 0.0035 764 SER 75 HB2 0.0067 0.0099 0.0060 765 SER 75 HB3 0.0080 0.0032 0.0056 766 SER 75 HG 0.0063 0.0085 0.0057 767 VAL 76 N -0.0074 0.0010 0.0010 768 VAL 76 CA -0.0085 -0.0012 0.0002 769 VAL 76 C -0.0112 -0.0019 0.0005 770 VAL 76 O -0.0116 -0.0039 -0.0004 771 VAL 76 CB -0.0087 -0.0008 0.0004 772 VAL 76 CG1 -0.0099 -0.0031 -0.0004 773 VAL 76 CG2 -0.0061 -0.0001 0.0002 774 VAL 76 H -0.0070 0.0025 0.0017 775 VAL 76 HA -0.0072 -0.0025 -0.0007 776 VAL 76 HB -0.0099 0.0006 0.0014 777 VAL 76 HG11 -0.0100 -0.0028 -0.0002 778 VAL 76 HG12 -0.0087 -0.0045 -0.0014 779 VAL 76 HG13 -0.0118 -0.0035 -0.0002 780 VAL 76 HG21 -0.0062 0.0002 0.0004 781 VAL 76 HG22 -0.0053 0.0016 0.0008 782 VAL 76 HG23 -0.0048 -0.0014 -0.0008 783 GLU 77 N -0.0094 -0.0029 0.0034 784 GLU 77 CA -0.0082 -0.0023 0.0029 785 GLU 77 C -0.0077 -0.0029 0.0018 786 GLU 77 O -0.0076 -0.0037 0.0009 787 GLU 77 CB -0.0076 -0.0021 0.0026 788 GLU 77 CG -0.0080 -0.0031 0.0020 789 GLU 77 CD -0.0074 -0.0028 0.0017 790 GLU 77 OE1 -0.0077 -0.0023 0.0024 791 GLU 77 OE2 -0.0067 -0.0031 0.0007 792 GLU 77 H -0.0097 -0.0038 0.0029 793 GLU 77 HA -0.0079 -0.0015 0.0035 794 GLU 77 HB2 -0.0067 -0.0017 0.0021 795 GLU 77 HB3 -0.0078 -0.0015 0.0034 796 GLU 77 HG2 -0.0089 -0.0035 0.0025 797 GLU 77 HG3 -0.0079 -0.0037 0.0012 798 PRO 78 N 0.0008 -0.0018 -0.0003 799 PRO 78 CA 0.0011 -0.0037 0.0001 800 PRO 78 C 0.0042 -0.0023 -0.0028 801 PRO 78 O 0.0043 0.0016 -0.0041 802 PRO 78 CB -0.0025 -0.0018 0.0023 803 PRO 78 CG -0.0049 -0.0000 0.0037 804 PRO 78 CD -0.0026 0.0013 0.0014 805 PRO 78 HA 0.0015 -0.0072 0.0009 806 PRO 78 HB2 -0.0021 0.0007 0.0012 807 PRO 78 HB3 -0.0035 -0.0043 0.0039 808 PRO 78 HG2 -0.0069 0.0027 0.0044 809 PRO 78 HG3 -0.0063 -0.0026 0.0055 810 PRO 78 HD2 -0.0022 0.0046 0.0000 811 PRO 78 HD3 -0.0037 0.0010 0.0024 812 TYR 79 N 0.0199 -0.0107 -0.0096 813 TYR 79 CA 0.0186 -0.0094 -0.0147 814 TYR 79 C 0.0260 -0.0105 -0.0271 815 TYR 79 O 0.0221 -0.0072 -0.0374 816 TYR 79 CB 0.0056 -0.0036 -0.0158 817 TYR 79 CG -0.0013 -0.0027 -0.0031 818 TYR 79 CD1 -0.0072 -0.0010 0.0018 819 TYR 79 CD2 -0.0019 -0.0036 0.0040 820 TYR 79 CE1 -0.0134 -0.0001 0.0133 821 TYR 79 CE2 -0.0081 -0.0027 0.0155 822 TYR 79 CZ -0.0139 -0.0010 0.0202 823 TYR 79 OH -0.0201 -0.0003 0.0319 824 TYR 79 H 0.0243 -0.0138 -0.0019 825 TYR 79 HA 0.0226 -0.0121 -0.0080 826 TYR 79 HB2 0.0014 -0.0009 -0.0217 827 TYR 79 HB3 0.0055 -0.0029 -0.0199 828 TYR 79 HD1 -0.0068 -0.0003 -0.0036 829 TYR 79 HD2 0.0026 -0.0049 0.0003 830 TYR 79 HE1 -0.0179 0.0012 0.0169 831 TYR 79 HE2 -0.0085 -0.0035 0.0209 832 TYR 79 HH -0.0148 -0.0034 0.0375 833 SER 80 N 0.0201 -0.0109 -0.0147 834 SER 80 CA 0.0164 -0.0103 -0.0104 835 SER 80 C 0.0184 -0.0105 -0.0120 836 SER 80 O 0.0236 -0.0108 -0.0156 837 SER 80 CB 0.0086 -0.0112 -0.0116 838 SER 80 OG 0.0044 -0.0107 -0.0071 839 SER 80 H 0.0186 -0.0119 -0.0193 840 SER 80 HA 0.0175 -0.0092 -0.0052 841 SER 80 HB2 0.0075 -0.0111 -0.0108 842 SER 80 HB3 0.0074 -0.0123 -0.0167 843 SER 80 HG 0.0044 -0.0098 -0.0029 844 GLN 81 N 0.0119 -0.0138 -0.0200 845 GLN 81 CA 0.0068 -0.0134 -0.0158 846 GLN 81 C 0.0051 -0.0074 -0.0152 847 GLN 81 O 0.0074 -0.0027 -0.0178 848 GLN 81 CB 0.0042 -0.0137 -0.0136 849 GLN 81 CG -0.0012 -0.0143 -0.0090 850 GLN 81 CD -0.0039 -0.0141 -0.0068 851 GLN 81 OE1 -0.0026 -0.0110 -0.0083 852 GLN 81 NE2 -0.0076 -0.0173 -0.0032 853 GLN 81 H 0.0135 -0.0133 -0.0214 854 GLN 81 HA 0.0059 -0.0173 -0.0145 855 GLN 81 HB2 0.0058 -0.0177 -0.0144 856 GLN 81 HB3 0.0047 -0.0095 -0.0146 857 GLN 81 HG2 -0.0027 -0.0106 -0.0083 858 GLN 81 HG3 -0.0016 -0.0187 -0.0080 859 GLN 81 HE21 -0.0084 -0.0197 -0.0022 860 GLN 81 HE22 -0.0095 -0.0172 -0.0016 861 GLU 82 N 0.0002 -0.0043 -0.0162 862 GLU 82 CA -0.0023 0.0025 -0.0128 863 GLU 82 C -0.0006 0.0040 -0.0134 864 GLU 82 O -0.0024 0.0092 -0.0110 865 GLU 82 CB -0.0000 0.0090 -0.0124 866 GLU 82 CG -0.0026 0.0162 -0.0090 867 GLU 82 CD -0.0004 0.0221 -0.0087 868 GLU 82 OE1 0.0053 0.0253 -0.0112 869 GLU 82 OE2 -0.0044 0.0237 -0.0058 870 GLU 82 H -0.0030 -0.0088 -0.0155 871 GLU 82 HA -0.0075 0.0011 -0.0100 872 GLU 82 HB2 -0.0016 0.0075 -0.0119 873 GLU 82 HB3 0.0052 0.0100 -0.0153 874 GLU 82 HG2 -0.0007 0.0181 -0.0096 875 GLU 82 HG3 -0.0078 0.0153 -0.0060 876 GLU 83 N 0.0116 -0.0054 -0.0225 877 GLU 83 CA 0.0084 -0.0013 -0.0178 878 GLU 83 C 0.0004 -0.0037 -0.0223 879 GLU 83 O -0.0079 -0.0007 -0.0200 880 GLU 83 CB 0.0172 -0.0003 -0.0148 881 GLU 83 CG 0.0147 0.0039 -0.0097 882 GLU 83 CD 0.0238 0.0052 -0.0064 883 GLU 83 OE1 0.0281 0.0014 -0.0106 884 GLU 83 OE2 0.0267 0.0102 0.0007 885 GLU 83 H 0.0135 -0.0097 -0.0278 886 GLU 83 HA 0.0054 0.0030 -0.0127 887 GLU 83 HB2 0.0225 0.0015 -0.0115 888 GLU 83 HB3 0.0206 -0.0047 -0.0199 889 GLU 83 HG2 0.0102 0.0019 -0.0133 890 GLU 83 HG3 0.0108 0.0081 -0.0050 891 ALA 84 N 0.0040 -0.0101 -0.0185 892 ALA 84 CA -0.0119 -0.0198 -0.0292 893 ALA 84 C -0.0219 -0.0301 -0.0413 894 ALA 84 O -0.0309 -0.0414 -0.0545 895 ALA 84 CB -0.0010 -0.0269 -0.0388 896 ALA 84 H 0.0190 -0.0131 -0.0233 897 ALA 84 HA -0.0248 -0.0137 -0.0208 898 ALA 84 HB1 -0.0129 -0.0341 -0.0468 899 ALA 84 HB2 0.0126 -0.0325 -0.0467 900 ALA 84 HB3 0.0046 -0.0192 -0.0298 901 GLU 85 N -0.0089 -0.0280 -0.0251 902 GLU 85 CA -0.0181 -0.0325 -0.0201 903 GLU 85 C -0.0213 -0.0170 -0.0093 904 GLU 85 O -0.0129 -0.0070 -0.0105 905 GLU 85 CB -0.0107 -0.0389 -0.0294 906 GLU 85 CG -0.0204 -0.0469 -0.0261 907 GLU 85 CD -0.0253 -0.0358 -0.0163 908 GLU 85 OE1 -0.0175 -0.0296 -0.0191 909 GLU 85 OE2 -0.0369 -0.0331 -0.0057 910 GLU 85 H -0.0058 -0.0167 -0.0214 911 GLU 85 HA -0.0278 -0.0414 -0.0173 912 GLU 85 HB2 -0.0058 -0.0474 -0.0379 913 GLU 85 HB3 -0.0024 -0.0289 -0.0306 914 GLU 85 HG2 -0.0295 -0.0534 -0.0224 915 GLU 85 HG3 -0.0157 -0.0549 -0.0341 916 ARG 86 N -0.0291 0.0036 -0.0088 917 ARG 86 CA -0.0281 -0.0008 -0.0120 918 ARG 86 C -0.0212 -0.0002 -0.0113 919 ARG 86 O -0.0157 0.0018 -0.0097 920 ARG 86 CB -0.0289 -0.0071 -0.0165 921 ARG 86 CG -0.0250 -0.0083 -0.0172 922 ARG 86 CD -0.0168 -0.0080 -0.0168 923 ARG 86 NE -0.0135 -0.0087 -0.0172 924 ARG 86 CZ -0.0066 -0.0075 -0.0162 925 ARG 86 NH1 -0.0020 -0.0059 -0.0149 926 ARG 86 NH2 -0.0044 -0.0080 -0.0165 927 ARG 86 H -0.0253 0.0042 -0.0083 928 ARG 86 HA -0.0324 -0.0001 -0.0116 929 ARG 86 HB2 -0.0269 -0.0102 -0.0187 930 ARG 86 HB3 -0.0346 -0.0079 -0.0172 931 ARG 86 HG2 -0.0263 -0.0126 -0.0204 932 ARG 86 HG3 -0.0269 -0.0051 -0.0150 933 ARG 86 HD2 -0.0153 -0.0038 -0.0138 934 ARG 86 HD3 -0.0149 -0.0115 -0.0192 935 ARG 86 HE -0.0168 -0.0100 -0.0182 936 ARG 86 HH11 -0.0034 -0.0054 -0.0146 937 ARG 86 HH12 0.0031 -0.0050 -0.0141 938 ARG 86 HH21 -0.0077 -0.0093 -0.0174 939 ARG 86 HH22 0.0007 -0.0072 -0.0157 940 ALA 87 N -0.0050 -0.0056 0.0175 941 ALA 87 CA 0.0241 -0.0056 0.0168 942 ALA 87 C 0.0330 -0.0335 0.0210 943 ALA 87 O 0.0536 -0.0434 0.0220 944 ALA 87 CB 0.0360 0.0026 0.0153 945 ALA 87 H -0.0128 -0.0134 0.0189 946 ALA 87 HA 0.0301 0.0084 0.0145 947 ALA 87 HB1 0.0294 -0.0111 0.0175 948 ALA 87 HB2 0.0294 0.0223 0.0123 949 ALA 87 HB3 0.0575 0.0021 0.0148 950 ALA 88 N 0.0106 -0.0068 0.1031 951 ALA 88 CA 0.0309 -0.0212 0.0355 952 ALA 88 C 0.1166 -0.0813 0.0399 953 ALA 88 O 0.1626 -0.1137 -0.0120 954 ALA 88 CB 0.0058 -0.0038 -0.0630 955 ALA 88 H 0.0419 -0.0288 0.1060 956 ALA 88 HA 0.0013 -0.0004 0.0542 957 ALA 88 HB1 0.0357 -0.0248 -0.0831 958 ALA 88 HB2 -0.0557 0.0393 -0.0641 959 ALA 88 HB3 0.0206 -0.0143 -0.1118 960 GLY 89 N 0.0844 0.0073 -0.0057 961 GLY 89 CA 0.0087 0.0370 -0.0114 962 GLY 89 C -0.0906 0.0347 -0.0410 963 GLY 89 O -0.1133 0.0779 -0.0244 964 GLY 89 H 0.0708 -0.0275 -0.0281 965 GLY 89 HA2 0.0162 0.1049 0.0270 966 GLY 89 HA3 0.0158 -0.0062 -0.0324 967 MET 90 N -0.0275 0.0411 -0.0180 968 MET 90 CA -0.0141 0.0415 -0.0039 969 MET 90 C -0.0046 0.0249 -0.0048 970 MET 90 O -0.0048 0.0218 -0.0071 971 MET 90 CB -0.0155 0.0564 0.0042 972 MET 90 CG -0.0025 0.0602 0.0201 973 MET 90 SD 0.0119 0.0440 0.0246 974 MET 90 CE 0.0238 0.0539 0.0432 975 MET 90 H -0.0303 0.0424 -0.0200 976 MET 90 HA -0.0097 0.0429 0.0015 977 MET 90 HB2 -0.0235 0.0674 0.0031 978 MET 90 HB3 -0.0188 0.0539 -0.0007 979 MET 90 HG2 0.0007 0.0626 0.0251 980 MET 90 HG3 -0.0053 0.0713 0.0245 981 MET 90 HE1 0.0261 0.0572 0.0477 982 MET 90 HE2 0.0331 0.0455 0.0474 983 MET 90 HE3 0.0194 0.0649 0.0458 984 GLY 91 N 0.0983 -0.1013 0.0972 985 GLY 91 CA 0.0098 0.0757 0.0769 986 GLY 91 C -0.1714 -0.0335 0.0978 987 GLY 91 O -0.1288 -0.0618 0.1001 988 GLY 91 H 0.1757 -0.2456 0.1136 989 GLY 91 HA2 -0.0726 0.2199 0.0608 990 GLY 91 HA3 0.1568 0.1439 0.0627 991 SER 92 N 0.0312 0.0198 -0.0138 992 SER 92 CA 0.0425 0.0331 -0.0268 993 SER 92 C 0.0430 0.0279 -0.0627 994 SER 92 O 0.0283 0.0057 -0.0747 995 SER 92 CB 0.0349 0.0252 -0.0112 996 SER 92 OG 0.0346 0.0303 0.0224 997 SER 92 H 0.0177 0.0008 -0.0157 998 SER 92 HA 0.0568 0.0536 -0.0213 999 SER 92 HB2 0.0207 0.0048 -0.0166 1000 SER 92 HB3 0.0439 0.0361 -0.0201 1001 SER 92 HG 0.0369 0.0341 0.0269 1002 TYR 93 N -0.0177 0.0258 -0.0337 1003 TYR 93 CA -0.0065 0.0182 -0.0264 1004 TYR 93 C 0.0023 0.0220 -0.0221 1005 TYR 93 O -0.0021 0.0272 -0.0253 1006 TYR 93 CB -0.0102 0.0018 -0.0261 1007 TYR 93 CG 0.0003 -0.0075 -0.0190 1008 TYR 93 CD1 0.0024 -0.0106 -0.0174 1009 TYR 93 CD2 0.0081 -0.0133 -0.0139 1010 TYR 93 CE1 0.0120 -0.0190 -0.0109 1011 TYR 93 CE2 0.0176 -0.0217 -0.0074 1012 TYR 93 CZ 0.0195 -0.0246 -0.0059 1013 TYR 93 OH 0.0291 -0.0330 0.0006 1014 TYR 93 H -0.0231 0.0229 -0.0363 1015 TYR 93 HA -0.0021 0.0215 -0.0244 1016 TYR 93 HB2 -0.0178 -0.0002 -0.0301 1017 TYR 93 HB3 -0.0135 -0.0015 -0.0275 1018 TYR 93 HD1 -0.0035 -0.0062 -0.0213 1019 TYR 93 HD2 0.0066 -0.0110 -0.0150 1020 TYR 93 HE1 0.0135 -0.0212 -0.0097 1021 TYR 93 HE2 0.0236 -0.0261 -0.0034 1022 TYR 93 HH 0.0367 -0.0292 0.0043 1023 VAL 94 N -0.0740 -0.0368 0.0042 1024 VAL 94 CA -0.0516 -0.0212 0.0028 1025 VAL 94 C -0.0487 -0.0183 0.0027 1026 VAL 94 O -0.0432 -0.0371 -0.0019 1027 VAL 94 CB -0.0267 -0.0303 -0.0038 1028 VAL 94 CG1 -0.0212 -0.0577 -0.0100 1029 VAL 94 CG2 -0.0042 -0.0127 -0.0050 1030 VAL 94 H -0.0718 -0.0526 0.0009 1031 VAL 94 HA -0.0555 -0.0025 0.0070 1032 VAL 94 HB -0.0296 -0.0293 -0.0031 1033 VAL 94 HG11 -0.0040 -0.0629 -0.0144 1034 VAL 94 HG12 -0.0190 -0.0595 -0.0108 1035 VAL 94 HG13 -0.0367 -0.0699 -0.0092 1036 VAL 94 HG21 -0.0015 -0.0125 -0.0055 1037 VAL 94 HG22 0.0127 -0.0193 -0.0095 1038 VAL 94 HG23 -0.0077 0.0063 -0.0008