1 ASP 28 N 0.0688 0.0060 0.0156 2 ASP 28 CA 0.0187 -0.0103 0.0056 3 ASP 28 C -0.0039 -0.0023 -0.0041 4 ASP 28 O 0.0038 0.0362 -0.0145 5 ASP 28 CB -0.0055 0.0155 -0.0105 6 ASP 28 CG -0.0574 0.0002 -0.0215 7 ASP 28 OD1 -0.0697 -0.0407 -0.0117 8 ASP 28 OD2 -0.0862 0.0292 -0.0400 9 ASP 28 H 0.0853 0.0016 0.0222 10 ASP 28 HA 0.0160 -0.0474 0.0170 11 ASP 28 HB2 0.0111 0.0092 -0.0033 12 ASP 28 HB3 -0.0015 0.0526 -0.0216 13 PRO 29 N -0.0556 -0.0260 -0.0097 14 PRO 29 CA -0.0280 -0.0248 -0.0058 15 PRO 29 C -0.0054 -0.0487 -0.0080 16 PRO 29 O 0.0002 -0.0529 -0.0082 17 PRO 29 CB -0.0157 0.0056 0.0025 18 PRO 29 CG -0.0413 0.0231 0.0030 19 PRO 29 CD -0.0612 0.0014 -0.0045 20 PRO 29 HA -0.0325 -0.0267 -0.0068 21 PRO 29 HB2 0.0027 0.0027 0.0043 22 PRO 29 HB3 -0.0075 0.0155 0.0058 23 PRO 29 HG2 -0.0331 0.0386 0.0074 24 PRO 29 HG3 -0.0533 0.0347 0.0039 25 PRO 29 HD2 -0.0551 -0.0015 -0.0043 26 PRO 29 HD3 -0.0843 0.0090 -0.0059 27 ASN 30 N -0.0030 -0.0168 -0.0349 28 ASN 30 CA -0.0045 -0.0172 -0.0227 29 ASN 30 C 0.0010 -0.0115 -0.0171 30 ASN 30 O 0.0073 -0.0051 -0.0127 31 ASN 30 CB -0.0039 -0.0162 -0.0176 32 ASN 30 CG -0.0053 -0.0164 -0.0048 33 ASN 30 OD1 -0.0121 -0.0226 -0.0003 34 ASN 30 ND2 0.0012 -0.0098 0.0012 35 ASN 30 H -0.0077 -0.0217 -0.0395 36 ASN 30 HA -0.0108 -0.0231 -0.0213 37 ASN 30 HB2 -0.0085 -0.0209 -0.0213 38 ASN 30 HB3 0.0021 -0.0108 -0.0205 39 ASN 30 HD21 0.0066 -0.0050 -0.0029 40 ASN 30 HD22 0.0005 -0.0098 0.0094 41 ALA 31 N 0.0012 0.0233 -0.0018 42 ALA 31 CA 0.0008 0.0187 0.0001 43 ALA 31 C 0.0006 0.0233 0.0050 44 ALA 31 O -0.0001 0.0235 0.0120 45 ALA 31 CB 0.0001 0.0113 0.0041 46 ALA 31 H 0.0012 0.0281 0.0010 47 ALA 31 HA 0.0012 0.0172 -0.0051 48 ALA 31 HB1 -0.0002 0.0080 0.0053 49 ALA 31 HB2 -0.0004 0.0127 0.0094 50 ALA 31 HB3 0.0002 0.0081 0.0006 51 GLU 32 N 0.0103 0.0449 0.0204 52 GLU 32 CA 0.0002 0.0232 0.0119 53 GLU 32 C -0.0131 0.0005 0.0028 54 GLU 32 O -0.0288 -0.0173 -0.0051 55 GLU 32 CB 0.0254 0.0109 0.0111 56 GLU 32 CG 0.0506 -0.0026 0.0099 57 GLU 32 CD 0.0743 -0.0153 0.0088 58 GLU 32 OE1 0.0724 -0.0403 0.0003 59 GLU 32 OE2 0.0949 -0.0007 0.0163 60 GLU 32 H 0.0313 0.0443 0.0229 61 GLU 32 HA -0.0158 0.0332 0.0132 62 GLU 32 HB2 0.0169 -0.0049 0.0048 63 GLU 32 HB3 0.0340 0.0277 0.0178 64 GLU 32 HG2 0.0600 0.0131 0.0163 65 GLU 32 HG3 0.0420 -0.0190 0.0035 66 PHE 33 N 0.0013 -0.0148 0.0021 67 PHE 33 CA -0.0009 -0.0165 0.0000 68 PHE 33 C -0.0068 -0.0082 -0.0021 69 PHE 33 O -0.0081 -0.0007 -0.0012 70 PHE 33 CB 0.0065 -0.0177 0.0052 71 PHE 33 CG 0.0114 -0.0096 0.0107 72 PHE 33 CD1 0.0095 -0.0014 0.0114 73 PHE 33 CD2 0.0178 -0.0103 0.0152 74 PHE 33 CE1 0.0139 0.0059 0.0164 75 PHE 33 CE2 0.0222 -0.0029 0.0202 76 PHE 33 CZ 0.0202 0.0052 0.0208 77 PHE 33 H 0.0050 -0.0103 0.0059 78 PHE 33 HA -0.0036 -0.0229 -0.0035 79 PHE 33 HB2 0.0047 -0.0181 0.0038 80 PHE 33 HB3 0.0103 -0.0242 0.0063 81 PHE 33 HD1 0.0046 -0.0008 0.0079 82 PHE 33 HD2 0.0193 -0.0167 0.0147 83 PHE 33 HE1 0.0123 0.0123 0.0169 84 PHE 33 HE2 0.0272 -0.0035 0.0237 85 PHE 33 HZ 0.0237 0.0110 0.0247 86 ASP 34 N 0.0013 0.0034 -0.0058 87 ASP 34 CA 0.0015 0.0051 -0.0067 88 ASP 34 C 0.0013 0.0068 -0.0052 89 ASP 34 O 0.0012 0.0072 -0.0041 90 ASP 34 CB 0.0019 0.0058 -0.0085 91 ASP 34 CG 0.0021 0.0074 -0.0097 92 ASP 34 OD1 0.0020 0.0091 -0.0090 93 ASP 34 OD2 0.0024 0.0070 -0.0113 94 ASP 34 H 0.0013 0.0034 -0.0056 95 ASP 34 HA 0.0016 0.0047 -0.0072 96 ASP 34 HB2 0.0020 0.0045 -0.0095 97 ASP 34 HB3 0.0018 0.0063 -0.0080 98 PRO 35 N -0.0029 -0.0039 0.0038 99 PRO 35 CA -0.0092 -0.0065 0.0012 100 PRO 35 C -0.0120 -0.0075 -0.0001 101 PRO 35 O -0.0173 -0.0098 -0.0021 102 PRO 35 CB -0.0108 -0.0113 0.0054 103 PRO 35 CG -0.0063 -0.0125 0.0108 104 PRO 35 CD -0.0008 -0.0075 0.0098 105 PRO 35 HA -0.0107 -0.0044 -0.0025 106 PRO 35 HB2 -0.0151 -0.0142 0.0050 107 PRO 35 HB3 -0.0107 -0.0108 0.0049 108 PRO 35 HG2 -0.0075 -0.0144 0.0120 109 PRO 35 HG3 -0.0058 -0.0148 0.0139 110 PRO 35 HD2 0.0015 -0.0075 0.0119 111 PRO 35 HD3 0.0018 -0.0067 0.0112 112 ASP 36 N 0.0097 0.0208 -0.0197 113 ASP 36 CA 0.0088 0.0048 -0.0137 114 ASP 36 C 0.0087 -0.0013 -0.0118 115 ASP 36 O 0.0118 -0.0152 -0.0129 116 ASP 36 CB 0.0007 0.0036 -0.0003 117 ASP 36 CG -0.0007 -0.0126 0.0067 118 ASP 36 OD1 0.0037 -0.0224 0.0024 119 ASP 36 OD2 -0.0064 -0.0159 0.0168 120 ASP 36 H 0.0047 0.0292 -0.0140 121 ASP 36 HA 0.0142 -0.0021 -0.0205 122 ASP 36 HB2 0.0012 0.0075 -0.0021 123 ASP 36 HB3 -0.0046 0.0113 0.0062 124 LEU 37 N 0.0061 0.0037 -0.0098 125 LEU 37 CA 0.0054 0.0045 -0.0075 126 LEU 37 C 0.0048 0.0052 -0.0094 127 LEU 37 O 0.0036 0.0067 -0.0119 128 LEU 37 CB 0.0034 0.0067 -0.0051 129 LEU 37 CG 0.0040 0.0060 -0.0021 130 LEU 37 CD1 0.0057 0.0039 0.0002 131 LEU 37 CD2 0.0047 0.0052 -0.0035 132 LEU 37 H 0.0050 0.0051 -0.0108 133 LEU 37 HA 0.0068 0.0028 -0.0059 134 LEU 37 HB2 0.0022 0.0082 -0.0067 135 LEU 37 HB3 0.0027 0.0076 -0.0039 136 LEU 37 HG 0.0025 0.0078 -0.0006 137 LEU 37 HD11 0.0060 0.0035 0.0023 138 LEU 37 HD12 0.0072 0.0021 -0.0012 139 LEU 37 HD13 0.0051 0.0046 0.0014 140 LEU 37 HD21 0.0051 0.0047 -0.0014 141 LEU 37 HD22 0.0034 0.0068 -0.0051 142 LEU 37 HD23 0.0062 0.0035 -0.0051 143 PRO 38 N 0.0078 0.0010 -0.0093 144 PRO 38 CA 0.0092 0.0008 -0.0111 145 PRO 38 C 0.0047 0.0048 -0.0108 146 PRO 38 O 0.0009 0.0057 -0.0064 147 PRO 38 CB 0.0114 -0.0039 -0.0068 148 PRO 38 CG 0.0129 -0.0068 -0.0044 149 PRO 38 CD 0.0093 -0.0033 -0.0044 150 PRO 38 HA 0.0118 0.0009 -0.0155 151 PRO 38 HB2 0.0087 -0.0034 -0.0034 152 PRO 38 HB3 0.0146 -0.0056 -0.0089 153 PRO 38 HG2 0.0128 -0.0092 0.0000 154 PRO 38 HG3 0.0166 -0.0086 -0.0070 155 PRO 38 HD2 0.0061 -0.0028 -0.0004 156 PRO 38 HD3 0.0110 -0.0045 -0.0051 157 GLY 39 N 0.0024 0.0046 -0.0078 158 GLY 39 CA -0.0010 0.0060 -0.0076 159 GLY 39 C -0.0023 0.0062 -0.0092 160 GLY 39 O -0.0049 0.0074 -0.0084 161 GLY 39 H 0.0033 0.0038 -0.0094 162 GLY 39 HA2 -0.0022 0.0062 -0.0089 163 GLY 39 HA3 -0.0015 0.0069 -0.0050 164 GLY 40 N 0.0017 0.0048 -0.0087 165 GLY 40 CA 0.0019 0.0046 -0.0085 166 GLY 40 C 0.0019 0.0043 -0.0096 167 GLY 40 O 0.0022 0.0040 -0.0097 168 GLY 40 H 0.0011 0.0054 -0.0085 169 GLY 40 HA2 0.0015 0.0051 -0.0080 170 GLY 40 HA3 0.0026 0.0040 -0.0080 171 GLY 41 N 0.0010 0.0044 -0.0058 172 GLY 41 CA 0.0012 0.0044 -0.0057 173 GLY 41 C -0.0005 0.0039 -0.0052 174 GLY 41 O -0.0007 0.0038 -0.0053 175 GLY 41 H 0.0015 0.0048 -0.0049 176 GLY 41 HA2 0.0021 0.0051 -0.0048 177 GLY 41 HA3 0.0017 0.0042 -0.0070 178 LEU 42 N 0.0069 -0.0009 -0.0075 179 LEU 42 CA 0.0050 -0.0078 -0.0065 180 LEU 42 C 0.0036 -0.0041 -0.0031 181 LEU 42 O 0.0026 -0.0089 -0.0029 182 LEU 42 CB 0.0004 -0.0141 -0.0011 183 LEU 42 CG 0.0011 -0.0187 -0.0036 184 LEU 42 CD1 -0.0038 -0.0246 0.0025 185 LEU 42 CD2 0.0048 -0.0241 -0.0115 186 LEU 42 H 0.0045 0.0010 -0.0029 187 LEU 42 HA 0.0076 -0.0116 -0.0120 188 LEU 42 HB2 -0.0023 -0.0103 0.0045 189 LEU 42 HB3 -0.0010 -0.0192 -0.0004 190 LEU 42 HG 0.0023 -0.0136 -0.0040 191 LEU 42 HD11 -0.0033 -0.0278 0.0006 192 LEU 42 HD12 -0.0052 -0.0296 0.0033 193 LEU 42 HD13 -0.0064 -0.0206 0.0080 194 LEU 42 HD21 0.0037 -0.0291 -0.0112 195 LEU 42 HD22 0.0052 -0.0273 -0.0130 196 LEU 42 HD23 0.0083 -0.0196 -0.0158 197 HIS 43 N -0.0046 0.0054 0.0027 198 HIS 43 CA -0.0055 0.0077 0.0056 199 HIS 43 C -0.0020 0.0084 0.0079 200 HIS 43 O 0.0003 0.0076 0.0078 201 HIS 43 CB -0.0070 0.0079 0.0053 202 HIS 43 CG -0.0103 0.0071 0.0029 203 HIS 43 ND1 -0.0138 0.0084 0.0033 204 HIS 43 CD2 -0.0105 0.0050 -0.0001 205 HIS 43 CE1 -0.0160 0.0072 0.0008 206 HIS 43 NE2 -0.0141 0.0052 -0.0013 207 HIS 43 H -0.0027 0.0042 0.0018 208 HIS 43 HA -0.0074 0.0089 0.0065 209 HIS 43 HB2 -0.0049 0.0071 0.0050 210 HIS 43 HB3 -0.0078 0.0097 0.0075 211 HIS 43 HD1 -0.0145 0.0100 0.0052 212 HIS 43 HD2 -0.0083 0.0036 -0.0012 213 HIS 43 HE1 -0.0190 0.0079 0.0005 214 HIS 43 HE2 -0.0152 0.0039 -0.0035 215 ARG 44 N -0.0006 0.0051 0.0101 216 ARG 44 CA 0.0004 0.0044 0.0118 217 ARG 44 C -0.0000 0.0054 0.0135 218 ARG 44 O -0.0012 0.0067 0.0136 219 ARG 44 CB 0.0007 0.0043 0.0126 220 ARG 44 CG 0.0009 0.0037 0.0111 221 ARG 44 CD 0.0010 0.0039 0.0121 222 ARG 44 NE 0.0011 0.0034 0.0107 223 ARG 44 CZ 0.0013 0.0033 0.0113 224 ARG 44 NH1 0.0015 0.0036 0.0132 225 ARG 44 NH2 0.0014 0.0028 0.0100 226 ARG 44 H -0.0015 0.0061 0.0102 227 ARG 44 HA 0.0014 0.0033 0.0115 228 ARG 44 HB2 -0.0001 0.0054 0.0134 229 ARG 44 HB3 0.0017 0.0036 0.0137 230 ARG 44 HG2 0.0018 0.0026 0.0105 231 ARG 44 HG3 -0.0000 0.0044 0.0100 232 ARG 44 HD2 0.0001 0.0050 0.0128 233 ARG 44 HD3 0.0019 0.0031 0.0132 234 ARG 44 HE 0.0009 0.0032 0.0093 235 ARG 44 HH11 0.0015 0.0039 0.0143 236 ARG 44 HH12 0.0017 0.0035 0.0137 237 ARG 44 HH21 0.0013 0.0026 0.0085 238 ARG 44 HH22 0.0016 0.0027 0.0104 239 CYS 45 N -0.0016 0.0035 0.0093 240 CYS 45 CA -0.0009 0.0028 0.0059 241 CYS 45 C -0.0021 0.0030 0.0057 242 CYS 45 O -0.0051 0.0036 0.0060 243 CYS 45 CB -0.0027 0.0027 0.0031 244 CYS 45 SG -0.0023 0.0019 -0.0013 245 CYS 45 H -0.0039 0.0040 0.0100 246 CYS 45 HA 0.0018 0.0023 0.0057 247 CYS 45 HB2 -0.0014 0.0025 0.0032 248 CYS 45 HB3 -0.0053 0.0033 0.0037 249 LEU 46 N 0.0009 0.0001 0.0023 250 LEU 46 CA -0.0009 0.0008 -0.0023 251 LEU 46 C -0.0042 0.0029 -0.0083 252 LEU 46 O -0.0075 0.0064 -0.0108 253 LEU 46 CB 0.0026 -0.0045 -0.0043 254 LEU 46 CG 0.0059 -0.0068 0.0014 255 LEU 46 CD1 0.0095 -0.0123 -0.0010 256 LEU 46 CD2 0.0038 -0.0029 0.0047 257 LEU 46 H 0.0039 -0.0036 0.0030 258 LEU 46 HA -0.0025 0.0038 0.0001 259 LEU 46 HB2 0.0043 -0.0075 -0.0067 260 LEU 46 HB3 0.0013 -0.0040 -0.0077 261 LEU 46 HG 0.0072 -0.0072 0.0049 262 LEU 46 HD11 0.0111 -0.0151 -0.0030 263 LEU 46 HD12 0.0117 -0.0138 0.0030 264 LEU 46 HD13 0.0082 -0.0120 -0.0049 265 LEU 46 HD21 0.0015 0.0008 0.0069 266 LEU 46 HD22 0.0023 -0.0022 0.0012 267 LEU 46 HD23 0.0063 -0.0047 0.0086 268 ALA 47 N 0.0014 0.0005 -0.0109 269 ALA 47 CA -0.0008 -0.0003 -0.0137 270 ALA 47 C -0.0050 -0.0014 -0.0136 271 ALA 47 O -0.0075 -0.0022 -0.0150 272 ALA 47 CB 0.0009 -0.0000 -0.0178 273 ALA 47 H 0.0034 0.0010 -0.0119 274 ALA 47 HA -0.0005 -0.0001 -0.0128 275 ALA 47 HB1 -0.0007 -0.0006 -0.0198 276 ALA 47 HB2 0.0006 -0.0002 -0.0188 277 ALA 47 HB3 0.0039 0.0008 -0.0179 278 CYS 48 N -0.0117 -0.0022 0.0003 279 CYS 48 CA -0.0132 0.0000 0.0010 280 CYS 48 C -0.0146 0.0039 0.0028 281 CYS 48 O -0.0165 0.0060 0.0032 282 CYS 48 CB -0.0104 -0.0006 0.0022 283 CYS 48 SG -0.0095 -0.0048 -0.0001 284 CYS 48 H -0.0095 -0.0021 0.0017 285 CYS 48 HA -0.0155 -0.0008 -0.0009 286 CYS 48 HB2 -0.0076 -0.0005 0.0039 287 CYS 48 HB3 -0.0116 0.0011 0.0027 288 ALA 49 N -0.0100 0.0015 0.0032 289 ALA 49 CA -0.0113 0.0068 0.0043 290 ALA 49 C -0.0078 0.0095 0.0056 291 ALA 49 O -0.0090 0.0137 0.0064 292 ALA 49 CB -0.0169 0.0078 0.0035 293 ALA 49 H -0.0092 -0.0001 0.0030 294 ALA 49 HA -0.0108 0.0082 0.0047 295 ALA 49 HB1 -0.0174 0.0065 0.0030 296 ALA 49 HB2 -0.0192 0.0059 0.0025 297 ALA 49 HB3 -0.0178 0.0117 0.0042 298 ARG 50 N -0.0028 0.0075 0.0036 299 ARG 50 CA 0.0009 0.0077 0.0019 300 ARG 50 C -0.0027 0.0080 -0.0014 301 ARG 50 O -0.0080 0.0078 -0.0001 302 ARG 50 CB 0.0040 0.0072 0.0073 303 ARG 50 CG 0.0083 0.0069 0.0107 304 ARG 50 CD 0.0111 0.0064 0.0159 305 ARG 50 NE 0.0151 0.0061 0.0194 306 ARG 50 CZ 0.0179 0.0056 0.0245 307 ARG 50 NH1 0.0172 0.0054 0.0266 308 ARG 50 NH2 0.0213 0.0053 0.0274 309 ARG 50 H -0.0057 0.0071 0.0068 310 ARG 50 HA 0.0043 0.0080 -0.0011 311 ARG 50 HB2 0.0006 0.0068 0.0103 312 ARG 50 HB3 0.0065 0.0074 0.0057 313 ARG 50 HG2 0.0118 0.0072 0.0077 314 ARG 50 HG3 0.0058 0.0067 0.0123 315 ARG 50 HD2 0.0076 0.0060 0.0188 316 ARG 50 HD3 0.0137 0.0066 0.0142 317 ARG 50 HE 0.0157 0.0063 0.0177 318 ARG 50 HH11 0.0147 0.0055 0.0245 319 ARG 50 HH12 0.0192 0.0050 0.0303 320 ARG 50 HH21 0.0220 0.0055 0.0259 321 ARG 50 HH22 0.0233 0.0050 0.0312 322 TYR 51 N 0.0010 0.0001 0.0105 323 TYR 51 CA 0.0011 0.0020 0.0082 324 TYR 51 C 0.0025 0.0011 0.0060 325 TYR 51 O 0.0038 -0.0010 0.0055 326 TYR 51 CB 0.0013 0.0023 0.0076 327 TYR 51 CG -0.0000 0.0029 0.0098 328 TYR 51 CD1 0.0001 0.0010 0.0116 329 TYR 51 CD2 -0.0014 0.0055 0.0100 330 TYR 51 CE1 -0.0011 0.0016 0.0136 331 TYR 51 CE2 -0.0026 0.0061 0.0120 332 TYR 51 CZ -0.0024 0.0041 0.0138 333 TYR 51 OH -0.0036 0.0047 0.0158 334 TYR 51 H 0.0018 -0.0014 0.0104 335 TYR 51 HA 0.0000 0.0038 0.0086 336 TYR 51 HB2 0.0023 0.0005 0.0071 337 TYR 51 HB3 0.0013 0.0038 0.0059 338 TYR 51 HD1 0.0011 -0.0010 0.0115 339 TYR 51 HD2 -0.0015 0.0070 0.0086 340 TYR 51 HE1 -0.0010 0.0001 0.0151 341 TYR 51 HE2 -0.0036 0.0080 0.0122 342 TYR 51 HH -0.0031 0.0035 0.0160 343 PHE 52 N -0.0054 0.0040 0.0104 344 PHE 52 CA -0.0056 0.0039 0.0092 345 PHE 52 C -0.0051 0.0042 0.0099 346 PHE 52 O -0.0040 0.0048 0.0109 347 PHE 52 CB -0.0046 0.0044 0.0075 348 PHE 52 CG -0.0051 0.0041 0.0067 349 PHE 52 CD1 -0.0045 0.0044 0.0073 350 PHE 52 CD2 -0.0060 0.0035 0.0053 351 PHE 52 CE1 -0.0049 0.0042 0.0066 352 PHE 52 CE2 -0.0064 0.0033 0.0046 353 PHE 52 CZ -0.0059 0.0036 0.0052 354 PHE 52 H -0.0044 0.0046 0.0108 355 PHE 52 HA -0.0067 0.0032 0.0088 356 PHE 52 HB2 -0.0035 0.0050 0.0079 357 PHE 52 HB3 -0.0048 0.0043 0.0066 358 PHE 52 HD1 -0.0038 0.0049 0.0084 359 PHE 52 HD2 -0.0065 0.0033 0.0048 360 PHE 52 HE1 -0.0045 0.0044 0.0070 361 PHE 52 HE2 -0.0072 0.0028 0.0035 362 PHE 52 HZ -0.0062 0.0034 0.0046 363 ILE 53 N 0.0046 -0.0012 0.0055 364 ILE 53 CA 0.0049 0.0038 -0.0128 365 ILE 53 C -0.0083 0.0140 -0.0169 366 ILE 53 O -0.0134 0.0213 -0.0305 367 ILE 53 CB 0.0195 -0.0038 -0.0209 368 ILE 53 CG1 0.0216 -0.0078 -0.0118 369 ILE 53 CG2 0.0327 -0.0128 -0.0204 370 ILE 53 CD1 0.0355 -0.0150 -0.0193 371 ILE 53 H 0.0129 -0.0083 0.0107 372 ILE 53 HA 0.0046 0.0057 -0.0187 373 ILE 53 HB 0.0186 0.0007 -0.0342 374 ILE 53 HG12 0.0222 -0.0120 0.0017 375 ILE 53 HG13 0.0121 -0.0011 -0.0127 376 ILE 53 HG21 0.0334 -0.0171 -0.0072 377 ILE 53 HG22 0.0313 -0.0098 -0.0277 378 ILE 53 HG23 0.0429 -0.0181 -0.0260 379 ILE 53 HD11 0.0350 -0.0108 -0.0327 380 ILE 53 HD12 0.0362 -0.0176 -0.0121 381 ILE 53 HD13 0.0452 -0.0218 -0.0186 382 ASP 54 N -0.0123 0.0062 0.0079 383 ASP 54 CA -0.0161 0.0032 0.0097 384 ASP 54 C -0.0160 0.0041 0.0103 385 ASP 54 O -0.0135 0.0079 0.0105 386 ASP 54 CB -0.0194 0.0042 0.0140 387 ASP 54 CG -0.0236 0.0010 0.0160 388 ASP 54 OD1 -0.0254 -0.0030 0.0150 389 ASP 54 OD2 -0.0251 0.0025 0.0187 390 ASP 54 H -0.0106 0.0093 0.0084 391 ASP 54 HA -0.0167 -0.0005 0.0077 392 ASP 54 HB2 -0.0194 0.0037 0.0135 393 ASP 54 HB3 -0.0189 0.0078 0.0160 394 SER 55 N -0.0064 0.0017 0.0168 395 SER 55 CA -0.0017 0.0022 0.0115 396 SER 55 C -0.0041 0.0047 0.0065 397 SER 55 O -0.0027 0.0062 0.0011 398 SER 55 CB 0.0045 -0.0005 0.0136 399 SER 55 OG 0.0092 -0.0001 0.0087 400 SER 55 H -0.0053 -0.0001 0.0207 401 SER 55 HA -0.0010 0.0026 0.0097 402 SER 55 HB2 0.0061 -0.0021 0.0167 403 SER 55 HB3 0.0038 -0.0011 0.0161 404 SER 55 HG 0.0090 0.0006 0.0070 405 THR 56 N -0.0018 -0.0006 0.0145 406 THR 56 CA -0.0056 0.0026 0.0071 407 THR 56 C -0.0142 0.0075 -0.0003 408 THR 56 O -0.0141 0.0098 -0.0104 409 THR 56 CB -0.0106 0.0027 0.0140 410 THR 56 OG1 -0.0030 -0.0019 0.0219 411 THR 56 CG2 -0.0132 0.0055 0.0064 412 THR 56 H -0.0033 -0.0020 0.0227 413 THR 56 HA 0.0013 0.0013 0.0017 414 THR 56 HB -0.0180 0.0044 0.0184 415 THR 56 HG1 -0.0040 -0.0031 0.0282 416 THR 56 HG21 -0.0168 0.0056 0.0115 417 THR 56 HG22 -0.0059 0.0039 0.0017 418 THR 56 HG23 -0.0190 0.0090 0.0005 419 ASN 57 N -0.0128 0.0022 0.0142 420 ASN 57 CA -0.0159 0.0098 0.0088 421 ASN 57 C -0.0138 0.0085 -0.0013 422 ASN 57 O -0.0152 0.0127 -0.0069 423 ASN 57 CB -0.0192 0.0154 0.0116 424 ASN 57 CG -0.0229 0.0202 0.0199 425 ASN 57 OD1 -0.0262 0.0270 0.0189 426 ASN 57 ND2 -0.0223 0.0168 0.0280 427 ASN 57 H -0.0127 0.0011 0.0178 428 ASN 57 HA -0.0176 0.0128 0.0100 429 ASN 57 HB2 -0.0175 0.0115 0.0135 430 ASN 57 HB3 -0.0205 0.0195 0.0060 431 ASN 57 HD21 -0.0196 0.0115 0.0288 432 ASN 57 HD22 -0.0246 0.0199 0.0333 433 LEU 58 N -0.0081 0.0047 0.0004 434 LEU 58 CA -0.0067 0.0050 -0.0002 435 LEU 58 C -0.0041 0.0055 -0.0046 436 LEU 58 O -0.0050 0.0054 -0.0072 437 LEU 58 CB -0.0041 0.0054 0.0040 438 LEU 58 CG -0.0016 0.0058 0.0039 439 LEU 58 CD1 0.0027 0.0066 0.0016 440 LEU 58 CD2 -0.0044 0.0054 0.0019 441 LEU 58 H -0.0069 0.0049 0.0028 442 LEU 58 HA -0.0095 0.0045 -0.0005 443 LEU 58 HB2 -0.0064 0.0049 0.0067 444 LEU 58 HB3 -0.0018 0.0058 0.0047 445 LEU 58 HG -0.0008 0.0059 0.0072 446 LEU 58 HD11 0.0043 0.0069 0.0016 447 LEU 58 HD12 0.0021 0.0066 -0.0018 448 LEU 58 HD13 0.0047 0.0069 0.0033 449 LEU 58 HD21 -0.0051 0.0053 -0.0015 450 LEU 58 HD22 -0.0026 0.0057 0.0020 451 LEU 58 HD23 -0.0074 0.0048 0.0037 452 LYS 59 N -0.0046 0.0050 -0.0105 453 LYS 59 CA -0.0001 0.0028 -0.0169 454 LYS 59 C -0.0021 -0.0046 -0.0243 455 LYS 59 O -0.0025 -0.0084 -0.0285 456 LYS 59 CB 0.0093 0.0077 -0.0186 457 LYS 59 CG 0.0136 0.0084 -0.0214 458 LYS 59 CD 0.0227 0.0138 -0.0223 459 LYS 59 CE 0.0278 0.0120 -0.0286 460 LYS 59 NZ 0.0282 0.0059 -0.0364 461 LYS 59 H -0.0019 0.0089 -0.0081 462 LYS 59 HA -0.0025 0.0027 -0.0150 463 LYS 59 HB2 0.0122 0.0061 -0.0230 464 LYS 59 HB3 0.0103 0.0127 -0.0134 465 LYS 59 HG2 0.0105 0.0098 -0.0171 466 LYS 59 HG3 0.0131 0.0036 -0.0268 467 LYS 59 HD2 0.0231 0.0185 -0.0169 468 LYS 59 HD3 0.0254 0.0146 -0.0235 469 LYS 59 HE2 0.0250 0.0111 -0.0275 470 LYS 59 HE3 0.0340 0.0163 -0.0286 471 LYS 59 HZ1 0.0312 0.0068 -0.0378 472 LYS 59 HZ2 0.0316 0.0048 -0.0405 473 LYS 59 HZ3 0.0224 0.0015 -0.0369 474 THR 60 N -0.0042 0.0032 -0.0279 475 THR 60 CA -0.0084 -0.0039 -0.0364 476 THR 60 C -0.0091 -0.0109 -0.0268 477 THR 60 O -0.0104 -0.0124 -0.0308 478 THR 60 CB -0.0138 -0.0142 -0.0452 479 THR 60 OG1 -0.0130 -0.0072 -0.0543 480 THR 60 CG2 -0.0183 -0.0217 -0.0542 481 THR 60 H -0.0052 0.0003 -0.0276 482 THR 60 HA -0.0070 0.0035 -0.0433 483 THR 60 HB -0.0149 -0.0210 -0.0377 484 THR 60 HG1 -0.0109 -0.0044 -0.0487 485 THR 60 HG21 -0.0220 -0.0288 -0.0600 486 THR 60 HG22 -0.0171 -0.0147 -0.0613 487 THR 60 HG23 -0.0189 -0.0270 -0.0474 488 HIS 61 N -0.0037 0.0018 -0.0142 489 HIS 61 CA -0.0026 0.0008 -0.0118 490 HIS 61 C -0.0019 0.0032 -0.0102 491 HIS 61 O -0.0012 0.0028 -0.0087 492 HIS 61 CB -0.0018 -0.0010 -0.0103 493 HIS 61 CG -0.0005 -0.0013 -0.0074 494 HIS 61 ND1 -0.0000 -0.0029 -0.0065 495 HIS 61 CD2 0.0004 0.0001 -0.0053 496 HIS 61 CE1 0.0011 -0.0025 -0.0039 497 HIS 61 NE2 0.0014 -0.0007 -0.0032 498 HIS 61 H -0.0038 0.0016 -0.0145 499 HIS 61 HA -0.0028 -0.0006 -0.0124 500 HIS 61 HB2 -0.0021 -0.0031 -0.0111 501 HIS 61 HB3 -0.0019 0.0001 -0.0104 502 HIS 61 HD1 -0.0004 -0.0042 -0.0075 503 HIS 61 HD2 0.0004 0.0016 -0.0053 504 HIS 61 HE1 0.0018 -0.0033 -0.0024 505 PHE 62 N 0.0038 -0.0043 -0.0125 506 PHE 62 CA 0.0026 -0.0051 -0.0118 507 PHE 62 C 0.0032 -0.0064 -0.0110 508 PHE 62 O 0.0023 -0.0072 -0.0104 509 PHE 62 CB 0.0013 -0.0045 -0.0120 510 PHE 62 CG 0.0007 -0.0032 -0.0128 511 PHE 62 CD1 0.0001 -0.0030 -0.0129 512 PHE 62 CD2 0.0007 -0.0022 -0.0135 513 PHE 62 CE1 -0.0005 -0.0017 -0.0137 514 PHE 62 CE2 0.0001 -0.0010 -0.0143 515 PHE 62 CZ -0.0004 -0.0008 -0.0144 516 PHE 62 H 0.0041 -0.0037 -0.0130 517 PHE 62 HA 0.0021 -0.0053 -0.0116 518 PHE 62 HB2 0.0016 -0.0045 -0.0121 519 PHE 62 HB3 0.0004 -0.0052 -0.0115 520 PHE 62 HD1 0.0001 -0.0037 -0.0124 521 PHE 62 HD2 0.0011 -0.0024 -0.0134 522 PHE 62 HE1 -0.0009 -0.0016 -0.0137 523 PHE 62 HE2 0.0002 -0.0003 -0.0148 524 PHE 62 HZ -0.0008 0.0002 -0.0150 525 ARG 63 N 0.0119 -0.0070 -0.0056 526 ARG 63 CA 0.0065 0.0027 0.0136 527 ARG 63 C 0.0256 0.0100 0.0305 528 ARG 63 O 0.0246 0.0184 0.0474 529 ARG 63 CB 0.0014 0.0009 0.0093 530 ARG 63 CG -0.0206 -0.0045 -0.0039 531 ARG 63 CD -0.0249 -0.0063 -0.0081 532 ARG 63 NE -0.0267 0.0033 0.0114 533 ARG 63 CZ -0.0341 0.0042 0.0125 534 ARG 63 NH1 -0.0419 -0.0038 -0.0047 535 ARG 63 NH2 -0.0341 0.0132 0.0309 536 ARG 63 H 0.0172 -0.0133 -0.0181 537 ARG 63 HA -0.0090 0.0064 0.0194 538 ARG 63 HB2 0.0160 -0.0038 0.0012 539 ARG 63 HB3 -0.0006 0.0082 0.0241 540 ARG 63 HG2 -0.0352 0.0003 0.0044 541 ARG 63 HG3 -0.0189 -0.0118 -0.0187 542 ARG 63 HD2 -0.0411 -0.0099 -0.0170 543 ARG 63 HD3 -0.0107 -0.0114 -0.0171 544 ARG 63 HE -0.0216 0.0094 0.0243 545 ARG 63 HH11 -0.0425 -0.0107 -0.0188 546 ARG 63 HH12 -0.0475 -0.0033 -0.0043 547 ARG 63 HH21 -0.0286 0.0194 0.0441 548 ARG 63 HH22 -0.0394 0.0143 0.0326 549 SER 64 N 0.0106 0.0045 0.0119 550 SER 64 CA 0.0133 0.0095 0.0095 551 SER 64 C 0.0077 0.0006 0.0060 552 SER 64 O 0.0044 -0.0035 -0.0043 553 SER 64 CB 0.0171 0.0176 -0.0015 554 SER 64 OG 0.0213 0.0246 -0.0001 555 SER 64 H 0.0099 0.0044 0.0052 556 SER 64 HA 0.0164 0.0134 0.0176 557 SER 64 HB2 0.0138 0.0134 -0.0098 558 SER 64 HB3 0.0198 0.0224 -0.0023 559 SER 64 HG 0.0248 0.0295 0.0063 560 LYS 65 N 0.0102 0.0065 0.0193 561 LYS 65 CA 0.0103 -0.0123 0.0061 562 LYS 65 C -0.0002 -0.0095 -0.0150 563 LYS 65 O -0.0011 -0.0223 -0.0261 564 LYS 65 CB 0.0162 -0.0255 0.0097 565 LYS 65 CG 0.0132 -0.0153 0.0103 566 LYS 65 CD 0.0023 -0.0085 -0.0087 567 LYS 65 CE -0.0002 0.0014 -0.0072 568 LYS 65 NZ -0.0109 0.0092 -0.0251 569 LYS 65 H 0.0126 0.0107 0.0275 570 LYS 65 HA 0.0146 -0.0203 0.0097 571 LYS 65 HB2 0.0151 -0.0379 -0.0017 572 LYS 65 HB3 0.0243 -0.0315 0.0231 573 LYS 65 HG2 0.0183 -0.0258 0.0141 574 LYS 65 HG3 0.0140 -0.0025 0.0212 575 LYS 65 HD2 -0.0030 0.0020 -0.0129 576 LYS 65 HD3 0.0017 -0.0215 -0.0194 577 LYS 65 HE2 0.0048 -0.0096 -0.0041 578 LYS 65 HE3 0.0011 0.0136 0.0044 579 LYS 65 HZ1 -0.0125 -0.0021 -0.0367 580 LYS 65 HZ2 -0.0160 0.0202 -0.0284 581 LYS 65 HZ3 -0.0123 0.0155 -0.0237 582 ASP 66 N 0.0027 -0.0044 -0.0144 583 ASP 66 CA 0.0048 -0.0034 -0.0167 584 ASP 66 C 0.0043 -0.0047 -0.0226 585 ASP 66 O 0.0040 -0.0053 -0.0249 586 ASP 66 CB 0.0097 0.0001 -0.0157 587 ASP 66 CG 0.0118 0.0013 -0.0172 588 ASP 66 OD1 0.0118 0.0018 -0.0138 589 ASP 66 OD2 0.0137 0.0018 -0.0216 590 ASP 66 H 0.0046 -0.0029 -0.0132 591 ASP 66 HA 0.0031 -0.0042 -0.0148 592 ASP 66 HB2 0.0099 0.0009 -0.0117 593 ASP 66 HB3 0.0114 0.0008 -0.0181 594 HIS 67 N 0.0055 0.0005 -0.0196 595 HIS 67 CA 0.0051 0.0003 -0.0222 596 HIS 67 C 0.0033 -0.0021 -0.0230 597 HIS 67 O 0.0028 -0.0025 -0.0253 598 HIS 67 CB 0.0055 0.0009 -0.0218 599 HIS 67 CG 0.0053 0.0009 -0.0243 600 HIS 67 ND1 0.0055 0.0016 -0.0268 601 HIS 67 CD2 0.0054 0.0011 -0.0244 602 HIS 67 CE1 0.0057 0.0022 -0.0284 603 HIS 67 NE2 0.0057 0.0020 -0.0270 604 HIS 67 H 0.0059 0.0009 -0.0179 605 HIS 67 HA 0.0056 0.0014 -0.0238 606 HIS 67 HB2 0.0068 0.0026 -0.0213 607 HIS 67 HB3 0.0049 -0.0002 -0.0203 608 HIS 67 HD1 0.0054 0.0016 -0.0274 609 HIS 67 HD2 0.0050 0.0003 -0.0228 610 HIS 67 HE1 0.0059 0.0028 -0.0305 611 LYS 68 N 0.0011 -0.0070 -0.0122 612 LYS 68 CA -0.0028 -0.0118 -0.0134 613 LYS 68 C -0.0036 -0.0128 -0.0136 614 LYS 68 O -0.0059 -0.0159 -0.0167 615 LYS 68 CB -0.0055 -0.0142 -0.0089 616 LYS 68 CG -0.0045 -0.0129 -0.0085 617 LYS 68 CD -0.0072 -0.0154 -0.0038 618 LYS 68 CE -0.0069 -0.0140 0.0023 619 LYS 68 NZ -0.0094 -0.0161 0.0070 620 LYS 68 H 0.0015 -0.0059 -0.0084 621 LYS 68 HA -0.0031 -0.0128 -0.0178 622 LYS 68 HB2 -0.0053 -0.0133 -0.0047 623 LYS 68 HB3 -0.0084 -0.0178 -0.0100 624 LYS 68 HG2 -0.0042 -0.0134 -0.0127 625 LYS 68 HG3 -0.0016 -0.0093 -0.0074 626 LYS 68 HD2 -0.0102 -0.0190 -0.0048 627 LYS 68 HD3 -0.0066 -0.0146 -0.0037 628 LYS 68 HE2 -0.0039 -0.0103 0.0031 629 LYS 68 HE3 -0.0077 -0.0150 0.0023 630 LYS 68 HZ1 -0.0123 -0.0196 0.0064 631 LYS 68 HZ2 -0.0090 -0.0150 0.0111 632 LYS 68 HZ3 -0.0085 -0.0151 0.0070 633 LYS 69 N -0.0012 -0.0063 -0.0172 634 LYS 69 CA -0.0003 -0.0049 -0.0130 635 LYS 69 C 0.0027 -0.0056 -0.0146 636 LYS 69 O 0.0015 -0.0051 -0.0132 637 LYS 69 CB 0.0028 -0.0038 -0.0095 638 LYS 69 CG 0.0056 -0.0025 -0.0055 639 LYS 69 CD 0.0089 -0.0018 -0.0029 640 LYS 69 CE 0.0123 -0.0006 0.0011 641 LYS 69 NZ 0.0154 -0.0000 0.0032 642 LYS 69 H 0.0000 -0.0063 -0.0170 643 LYS 69 HA -0.0038 -0.0041 -0.0114 644 LYS 69 HB2 0.0003 -0.0030 -0.0078 645 LYS 69 HB3 0.0056 -0.0047 -0.0115 646 LYS 69 HG2 0.0079 -0.0034 -0.0073 647 LYS 69 HG3 0.0029 -0.0015 -0.0031 648 LYS 69 HD2 0.0063 -0.0010 -0.0013 649 LYS 69 HD3 0.0112 -0.0029 -0.0055 650 LYS 69 HE2 0.0147 -0.0013 -0.0004 651 LYS 69 HE3 0.0099 0.0006 0.0039 652 LYS 69 HZ1 0.0180 0.0008 0.0059 653 LYS 69 HZ2 0.0176 -0.0012 0.0005 654 LYS 69 HZ3 0.0131 0.0006 0.0045 655 ARG 70 N 0.0012 0.0007 -0.0186 656 ARG 70 CA 0.0019 0.0004 -0.0182 657 ARG 70 C -0.0012 0.0022 -0.0203 658 ARG 70 O -0.0023 0.0027 -0.0190 659 ARG 70 CB 0.0057 -0.0014 -0.0202 660 ARG 70 CG 0.0067 -0.0020 -0.0195 661 ARG 70 CD 0.0066 -0.0025 -0.0149 662 ARG 70 NE 0.0074 -0.0030 -0.0141 663 ARG 70 CZ 0.0061 -0.0027 -0.0108 664 ARG 70 NH1 0.0039 -0.0019 -0.0079 665 ARG 70 NH2 0.0070 -0.0033 -0.0104 666 ARG 70 H 0.0030 0.0001 -0.0204 667 ARG 70 HA 0.0017 0.0001 -0.0149 668 ARG 70 HB2 0.0078 -0.0026 -0.0190 669 ARG 70 HB3 0.0056 -0.0010 -0.0235 670 ARG 70 HG2 0.0094 -0.0033 -0.0209 671 ARG 70 HG3 0.0047 -0.0008 -0.0209 672 ARG 70 HD2 0.0039 -0.0013 -0.0135 673 ARG 70 HD3 0.0086 -0.0038 -0.0134 674 ARG 70 HE 0.0090 -0.0036 -0.0162 675 ARG 70 HH11 0.0031 -0.0015 -0.0080 676 ARG 70 HH12 0.0028 -0.0017 -0.0054 677 ARG 70 HH21 0.0086 -0.0039 -0.0125 678 ARG 70 HH22 0.0061 -0.0031 -0.0080 679 LEU 71 N -0.0007 0.0026 -0.0115 680 LEU 71 CA -0.0017 0.0032 -0.0123 681 LEU 71 C -0.0029 0.0046 -0.0111 682 LEU 71 O -0.0033 0.0050 -0.0108 683 LEU 71 CB -0.0025 0.0033 -0.0143 684 LEU 71 CG -0.0015 0.0020 -0.0158 685 LEU 71 CD1 -0.0024 0.0023 -0.0177 686 LEU 71 CD2 -0.0004 0.0010 -0.0159 687 LEU 71 H -0.0008 0.0024 -0.0121 688 LEU 71 HA -0.0011 0.0026 -0.0124 689 LEU 71 HB2 -0.0031 0.0039 -0.0142 690 LEU 71 HB3 -0.0032 0.0038 -0.0148 691 LEU 71 HG -0.0008 0.0016 -0.0153 692 LEU 71 HD11 -0.0031 0.0027 -0.0182 693 LEU 71 HD12 -0.0031 0.0029 -0.0176 694 LEU 71 HD13 -0.0017 0.0014 -0.0187 695 LEU 71 HD21 0.0003 0.0008 -0.0145 696 LEU 71 HD22 -0.0010 0.0015 -0.0163 697 LEU 71 HD23 0.0003 0.0002 -0.0170 698 LYS 72 N -0.0066 0.0155 -0.0090 699 LYS 72 CA -0.0141 0.0100 -0.0060 700 LYS 72 C -0.0184 0.0088 -0.0069 701 LYS 72 O -0.0262 0.0069 -0.0089 702 LYS 72 CB -0.0117 0.0050 0.0024 703 LYS 72 CG -0.0191 -0.0009 0.0062 704 LYS 72 CD -0.0162 -0.0054 0.0143 705 LYS 72 CE -0.0236 -0.0114 0.0181 706 LYS 72 NZ -0.0210 -0.0158 0.0259 707 LYS 72 H -0.0011 0.0155 -0.0056 708 LYS 72 HA -0.0186 0.0103 -0.0090 709 LYS 72 HB2 -0.0086 0.0060 0.0030 710 LYS 72 HB3 -0.0072 0.0049 0.0054 711 LYS 72 HG2 -0.0219 -0.0021 0.0062 712 LYS 72 HG3 -0.0238 -0.0008 0.0031 713 LYS 72 HD2 -0.0134 -0.0042 0.0143 714 LYS 72 HD3 -0.0116 -0.0056 0.0174 715 LYS 72 HE2 -0.0263 -0.0126 0.0183 716 LYS 72 HE3 -0.0284 -0.0111 0.0148 717 LYS 72 HZ1 -0.0164 -0.0162 0.0292 718 LYS 72 HZ2 -0.0184 -0.0147 0.0259 719 LYS 72 HZ3 -0.0261 -0.0198 0.0284 720 GLN 73 N -0.0061 0.0079 -0.0119 721 GLN 73 CA -0.0061 0.0075 -0.0104 722 GLN 73 C -0.0070 0.0084 -0.0138 723 GLN 73 O -0.0093 0.0084 -0.0133 724 GLN 73 CB -0.0021 0.0068 -0.0086 725 GLN 73 CG -0.0010 0.0058 -0.0051 726 GLN 73 CD 0.0032 0.0051 -0.0034 727 GLN 73 OE1 0.0060 0.0056 -0.0055 728 GLN 73 NE2 0.0036 0.0041 0.0004 729 GLN 73 H -0.0035 0.0078 -0.0119 730 GLN 73 HA -0.0085 0.0070 -0.0083 731 GLN 73 HB2 0.0003 0.0073 -0.0108 732 GLN 73 HB3 -0.0021 0.0065 -0.0076 733 GLN 73 HG2 -0.0032 0.0052 -0.0028 734 GLN 73 HG3 -0.0010 0.0060 -0.0060 735 GLN 73 HE21 0.0013 0.0037 0.0019 736 GLN 73 HE22 0.0062 0.0036 0.0016 737 LEU 74 N -0.0032 0.0092 -0.0090 738 LEU 74 CA -0.0047 0.0112 -0.0075 739 LEU 74 C -0.0060 0.0167 -0.0076 740 LEU 74 O -0.0077 0.0189 -0.0057 741 LEU 74 CB -0.0029 0.0097 -0.0098 742 LEU 74 CG -0.0042 0.0110 -0.0082 743 LEU 74 CD1 -0.0065 0.0088 -0.0037 744 LEU 74 CD2 -0.0020 0.0092 -0.0110 745 LEU 74 H -0.0013 0.0083 -0.0119 746 LEU 74 HA -0.0064 0.0097 -0.0042 747 LEU 74 HB2 -0.0019 0.0059 -0.0099 748 LEU 74 HB3 -0.0014 0.0114 -0.0129 749 LEU 74 HG -0.0050 0.0148 -0.0084 750 LEU 74 HD11 -0.0073 0.0097 -0.0027 751 LEU 74 HD12 -0.0057 0.0050 -0.0035 752 LEU 74 HD13 -0.0080 0.0102 -0.0018 753 LEU 74 HD21 -0.0012 0.0054 -0.0109 754 LEU 74 HD22 -0.0030 0.0102 -0.0098 755 LEU 74 HD23 -0.0005 0.0109 -0.0141 756 SER 75 N 0.0023 0.0177 -0.0011 757 SER 75 CA 0.0131 0.0273 0.0030 758 SER 75 C 0.0047 0.0082 0.0069 759 SER 75 O 0.0150 0.0092 0.0158 760 SER 75 CB 0.0379 0.0362 0.0203 761 SER 75 OG 0.0488 0.0469 0.0237 762 SER 75 H -0.0088 0.0238 -0.0149 763 SER 75 HA 0.0086 0.0429 -0.0107 764 SER 75 HB2 0.0428 0.0497 0.0166 765 SER 75 HB3 0.0423 0.0205 0.0339 766 SER 75 HG 0.0602 0.0619 0.0251 767 VAL 76 N 0.0000 0.0120 -0.0040 768 VAL 76 CA -0.0001 0.0114 -0.0057 769 VAL 76 C -0.0012 0.0129 -0.0071 770 VAL 76 O -0.0016 0.0136 -0.0075 771 VAL 76 CB 0.0004 0.0096 -0.0068 772 VAL 76 CG1 0.0003 0.0090 -0.0086 773 VAL 76 CG2 0.0015 0.0081 -0.0055 774 VAL 76 H 0.0004 0.0113 -0.0037 775 VAL 76 HA 0.0001 0.0112 -0.0052 776 VAL 76 HB 0.0002 0.0098 -0.0072 777 VAL 76 HG11 0.0007 0.0078 -0.0093 778 VAL 76 HG12 0.0005 0.0088 -0.0082 779 VAL 76 HG13 -0.0005 0.0101 -0.0096 780 VAL 76 HG21 0.0019 0.0069 -0.0062 781 VAL 76 HG22 0.0016 0.0085 -0.0042 782 VAL 76 HG23 0.0017 0.0079 -0.0050 783 GLU 77 N 0.0006 0.0020 0.0039 784 GLU 77 CA -0.0035 0.0035 0.0025 785 GLU 77 C -0.0052 0.0065 0.0055 786 GLU 77 O -0.0050 0.0068 0.0062 787 GLU 77 CB -0.0047 0.0017 -0.0012 788 GLU 77 CG -0.0026 0.0005 -0.0010 789 GLU 77 CD -0.0040 -0.0011 -0.0046 790 GLU 77 OE1 -0.0030 -0.0036 -0.0074 791 GLU 77 OE2 -0.0061 0.0001 -0.0048 792 GLU 77 H 0.0020 0.0023 0.0056 793 GLU 77 HA -0.0047 0.0038 0.0019 794 GLU 77 HB2 -0.0077 0.0031 -0.0017 795 GLU 77 HB3 -0.0042 -0.0001 -0.0034 796 GLU 77 HG2 0.0005 -0.0009 -0.0005 797 GLU 77 HG3 -0.0030 0.0023 0.0012 798 PRO 78 N -0.0112 0.0226 0.0240 799 PRO 78 CA -0.0133 0.0174 0.0306 800 PRO 78 C -0.0112 0.0172 0.0314 801 PRO 78 O -0.0140 0.0199 0.0270 802 PRO 78 CB -0.0227 0.0160 0.0304 803 PRO 78 CG -0.0248 0.0199 0.0246 804 PRO 78 CD -0.0186 0.0246 0.0196 805 PRO 78 HA -0.0101 0.0150 0.0347 806 PRO 78 HB2 -0.0259 0.0161 0.0296 807 PRO 78 HB3 -0.0243 0.0123 0.0351 808 PRO 78 HG2 -0.0311 0.0205 0.0223 809 PRO 78 HG3 -0.0242 0.0187 0.0263 810 PRO 78 HD2 -0.0208 0.0267 0.0162 811 PRO 78 HD3 -0.0174 0.0269 0.0168 812 TYR 79 N 0.0096 -0.0092 0.0588 813 TYR 79 CA -0.0034 -0.0078 0.0544 814 TYR 79 C -0.0209 -0.0234 0.0647 815 TYR 79 O -0.0166 -0.0362 0.0776 816 TYR 79 CB 0.0111 -0.0037 0.0540 817 TYR 79 CG 0.0262 0.0131 0.0420 818 TYR 79 CD1 0.0474 0.0146 0.0458 819 TYR 79 CD2 0.0189 0.0276 0.0268 820 TYR 79 CE1 0.0610 0.0299 0.0348 821 TYR 79 CE2 0.0324 0.0430 0.0157 822 TYR 79 CZ 0.0534 0.0441 0.0197 823 TYR 79 OH 0.0670 0.0596 0.0086 824 TYR 79 H 0.0074 -0.0018 0.0514 825 TYR 79 HA -0.0126 0.0024 0.0427 826 TYR 79 HB2 0.0215 -0.0133 0.0655 827 TYR 79 HB3 0.0003 -0.0035 0.0512 828 TYR 79 HD1 0.0533 0.0034 0.0576 829 TYR 79 HD2 0.0024 0.0267 0.0237 830 TYR 79 HE1 0.0775 0.0306 0.0381 831 TYR 79 HE2 0.0265 0.0541 0.0039 832 TYR 79 HH 0.0577 0.0671 -0.0006 833 SER 80 N -0.0178 -0.0211 0.0190 834 SER 80 CA -0.0143 -0.0203 0.0161 835 SER 80 C -0.0159 -0.0203 0.0196 836 SER 80 O -0.0205 -0.0214 0.0235 837 SER 80 CB -0.0074 -0.0176 0.0164 838 SER 80 OG -0.0036 -0.0167 0.0131 839 SER 80 H -0.0164 -0.0199 0.0231 840 SER 80 HA -0.0153 -0.0215 0.0110 841 SER 80 HB2 -0.0066 -0.0176 0.0143 842 SER 80 HB3 -0.0063 -0.0163 0.0214 843 SER 80 HG -0.0037 -0.0175 0.0086 844 GLN 81 N -0.0248 -0.0345 0.0140 845 GLN 81 CA -0.0221 -0.0347 0.0107 846 GLN 81 C -0.0207 -0.0381 0.0123 847 GLN 81 O -0.0208 -0.0410 0.0154 848 GLN 81 CB -0.0191 -0.0355 0.0076 849 GLN 81 CG -0.0165 -0.0351 0.0039 850 GLN 81 CD -0.0134 -0.0361 0.0009 851 GLN 81 OE1 -0.0123 -0.0386 0.0020 852 GLN 81 NE2 -0.0120 -0.0342 -0.0028 853 GLN 81 H -0.0245 -0.0353 0.0144 854 GLN 81 HA -0.0232 -0.0319 0.0093 855 GLN 81 HB2 -0.0202 -0.0333 0.0069 856 GLN 81 HB3 -0.0178 -0.0384 0.0089 857 GLN 81 HG2 -0.0156 -0.0371 0.0047 858 GLN 81 HG3 -0.0178 -0.0321 0.0025 859 GLN 81 HE21 -0.0131 -0.0322 -0.0035 860 GLN 81 HE22 -0.0100 -0.0349 -0.0048 861 GLU 82 N -0.0120 -0.0318 0.0053 862 GLU 82 CA -0.0102 -0.0356 0.0081 863 GLU 82 C -0.0159 -0.0329 0.0149 864 GLU 82 O -0.0155 -0.0351 0.0180 865 GLU 82 CB -0.0044 -0.0438 0.0106 866 GLU 82 CG -0.0020 -0.0482 0.0133 867 GLU 82 CD 0.0037 -0.0560 0.0151 868 GLU 82 OE1 0.0031 -0.0592 0.0219 869 GLU 82 OE2 0.0090 -0.0591 0.0099 870 GLU 82 H -0.0128 -0.0279 0.0001 871 GLU 82 HA -0.0090 -0.0340 0.0027 872 GLU 82 HB2 -0.0006 -0.0452 0.0053 873 GLU 82 HB3 -0.0057 -0.0452 0.0156 874 GLU 82 HG2 -0.0056 -0.0472 0.0188 875 GLU 82 HG3 -0.0008 -0.0467 0.0083 876 GLU 83 N -0.0234 -0.0276 0.0042 877 GLU 83 CA -0.0144 -0.0187 0.0037 878 GLU 83 C -0.0037 -0.0085 0.0093 879 GLU 83 O 0.0039 -0.0004 0.0006 880 GLU 83 CB -0.0168 -0.0218 0.0130 881 GLU 83 CG -0.0079 -0.0129 0.0132 882 GLU 83 CD -0.0113 -0.0169 0.0210 883 GLU 83 OE1 -0.0113 -0.0179 0.0351 884 GLU 83 OE2 -0.0140 -0.0190 0.0128 885 GLU 83 H -0.0246 -0.0295 0.0138 886 GLU 83 HA -0.0137 -0.0172 -0.0083 887 GLU 83 HB2 -0.0243 -0.0288 0.0082 888 GLU 83 HB3 -0.0181 -0.0239 0.0247 889 GLU 83 HG2 -0.0006 -0.0062 0.0193 890 GLU 83 HG3 -0.0060 -0.0103 0.0015 891 ALA 84 N -0.0032 -0.0093 0.0089 892 ALA 84 CA 0.0184 0.0056 0.0234 893 ALA 84 C 0.0165 0.0044 0.0279 894 ALA 84 O 0.0287 0.0129 0.0461 895 ALA 84 CB 0.0220 0.0085 0.0515 896 ALA 84 H -0.0176 -0.0188 0.0208 897 ALA 84 HA 0.0333 0.0154 0.0090 898 ALA 84 HB1 0.0377 0.0192 0.0619 899 ALA 84 HB2 0.0065 -0.0017 0.0654 900 ALA 84 HB3 0.0248 0.0103 0.0470 901 GLU 85 N 0.0042 -0.0077 0.0075 902 GLU 85 CA -0.0007 -0.0131 -0.0008 903 GLU 85 C -0.0064 -0.0179 -0.0115 904 GLU 85 O -0.0096 -0.0284 -0.0096 905 GLU 85 CB -0.0020 -0.0244 0.0071 906 GLU 85 CG -0.0063 -0.0292 0.0002 907 GLU 85 CD -0.0134 -0.0373 -0.0110 908 GLU 85 OE1 -0.0169 -0.0495 -0.0083 909 GLU 85 OE2 -0.0154 -0.0316 -0.0225 910 GLU 85 H 0.0030 -0.0089 0.0054 911 GLU 85 HA 0.0006 -0.0055 -0.0050 912 GLU 85 HB2 0.0025 -0.0212 0.0163 913 GLU 85 HB3 -0.0042 -0.0326 0.0094 914 GLU 85 HG2 -0.0045 -0.0199 -0.0042 915 GLU 85 HG3 -0.0056 -0.0341 0.0073 916 ARG 86 N 0.0109 -0.0077 -0.0386 917 ARG 86 CA 0.0062 -0.0020 -0.0396 918 ARG 86 C -0.0007 -0.0027 -0.0374 919 ARG 86 O -0.0015 -0.0063 -0.0358 920 ARG 86 CB 0.0093 0.0042 -0.0428 921 ARG 86 CG 0.0130 0.0033 -0.0434 922 ARG 86 CD 0.0084 0.0019 -0.0416 923 ARG 86 NE 0.0123 0.0006 -0.0422 924 ARG 86 CZ 0.0101 -0.0020 -0.0406 925 ARG 86 NH1 0.0037 -0.0034 -0.0383 926 ARG 86 NH2 0.0142 -0.0032 -0.0412 927 ARG 86 H 0.0118 -0.0096 -0.0381 928 ARG 86 HA 0.0055 -0.0012 -0.0396 929 ARG 86 HB2 0.0053 0.0080 -0.0432 930 ARG 86 HB3 0.0128 0.0057 -0.0443 931 ARG 86 HG2 0.0152 0.0078 -0.0458 932 ARG 86 HG3 0.0169 -0.0006 -0.0430 933 ARG 86 HD2 0.0058 -0.0023 -0.0393 934 ARG 86 HD3 0.0048 0.0060 -0.0423 935 ARG 86 HE 0.0170 0.0017 -0.0439 936 ARG 86 HH11 0.0003 -0.0026 -0.0377 937 ARG 86 HH12 0.0020 -0.0053 -0.0371 938 ARG 86 HH21 0.0190 -0.0022 -0.0429 939 ARG 86 HH22 0.0128 -0.0052 -0.0401 940 ALA 87 N 0.0274 -0.0134 -0.0185 941 ALA 87 CA -0.0086 -0.0114 0.0075 942 ALA 87 C -0.0201 0.0187 0.0127 943 ALA 87 O -0.0449 0.0418 0.0283 944 ALA 87 CB -0.0215 0.0027 0.0154 945 ALA 87 H 0.0381 0.0092 -0.0285 946 ALA 87 HA -0.0170 -0.0413 0.0166 947 ALA 87 HB1 -0.0125 0.0322 0.0058 948 ALA 87 HB2 -0.0132 -0.0189 0.0115 949 ALA 87 HB3 -0.0482 0.0051 0.0345 950 ALA 88 N 0.0275 0.0230 -0.0664 951 ALA 88 CA 0.0098 0.0207 0.0035 952 ALA 88 C -0.0716 0.0549 0.0030 953 ALA 88 O -0.1236 0.0717 0.0389 954 ALA 88 CB 0.0251 0.0035 0.0812 955 ALA 88 H -0.0081 0.0397 -0.0792 956 ALA 88 HA 0.0458 0.0062 -0.0005 957 ALA 88 HB1 -0.0112 0.0179 0.0864 958 ALA 88 HB2 0.0837 -0.0210 0.0798 959 ALA 88 HB3 0.0127 0.0015 0.1326 960 GLY 89 N 0.0489 0.0089 0.0566 961 GLY 89 CA 0.0717 -0.0158 0.0634 962 GLY 89 C 0.0660 -0.0173 0.0921 963 GLY 89 O 0.0518 -0.0022 0.0891 964 GLY 89 H 0.0331 0.0203 0.0736 965 GLY 89 HA2 0.0811 -0.0194 0.0401 966 GLY 89 HA3 0.0838 -0.0299 0.0711 967 MET 90 N -0.0115 0.0350 -0.0092 968 MET 90 CA -0.0086 0.0348 -0.0034 969 MET 90 C -0.0058 0.0301 -0.0038 970 MET 90 O -0.0066 0.0306 -0.0047 971 MET 90 CB -0.0105 0.0403 -0.0000 972 MET 90 CG -0.0077 0.0409 0.0065 973 MET 90 SD -0.0039 0.0363 0.0083 974 MET 90 CE -0.0018 0.0387 0.0160 975 MET 90 H -0.0115 0.0345 -0.0100 976 MET 90 HA -0.0069 0.0338 -0.0011 977 MET 90 HB2 -0.0127 0.0435 -0.0005 978 MET 90 HB3 -0.0118 0.0409 -0.0021 979 MET 90 HG2 -0.0064 0.0403 0.0085 980 MET 90 HG3 -0.0095 0.0450 0.0083 981 MET 90 HE1 -0.0007 0.0383 0.0179 982 MET 90 HE2 0.0006 0.0362 0.0177 983 MET 90 HE3 -0.0039 0.0428 0.0170 984 GLY 91 N 0.0167 0.0137 0.0257 985 GLY 91 CA 0.0188 0.0119 0.0244 986 GLY 91 C 0.0211 0.0107 0.0277 987 GLY 91 O 0.0238 0.0087 0.0278 988 GLY 91 H 0.0175 0.0132 0.0269 989 GLY 91 HA2 0.0175 0.0126 0.0232 990 GLY 91 HA3 0.0200 0.0105 0.0222 991 SER 92 N 0.0150 0.0004 0.0031 992 SER 92 CA 0.0252 0.0105 -0.0049 993 SER 92 C 0.0321 0.0034 -0.0217 994 SER 92 O 0.0290 -0.0093 -0.0274 995 SER 92 CB 0.0235 0.0134 0.0003 996 SER 92 OG 0.0169 0.0200 0.0161 997 SER 92 H 0.0100 -0.0100 0.0024 998 SER 92 HA 0.0293 0.0215 -0.0022 999 SER 92 HB2 0.0194 0.0024 -0.0023 1000 SER 92 HB3 0.0312 0.0215 -0.0053 1001 SER 92 HG 0.0141 0.0188 0.0197 1002 TYR 93 N -0.0159 0.0123 -0.0234 1003 TYR 93 CA -0.0089 0.0075 -0.0184 1004 TYR 93 C -0.0035 0.0097 -0.0156 1005 TYR 93 O -0.0064 0.0128 -0.0178 1006 TYR 93 CB -0.0113 -0.0028 -0.0182 1007 TYR 93 CG -0.0048 -0.0087 -0.0132 1008 TYR 93 CD1 -0.0033 -0.0103 -0.0121 1009 TYR 93 CD2 -0.0001 -0.0125 -0.0098 1010 TYR 93 CE1 0.0027 -0.0155 -0.0076 1011 TYR 93 CE2 0.0059 -0.0178 -0.0053 1012 TYR 93 CZ 0.0072 -0.0192 -0.0042 1013 TYR 93 OH 0.0132 -0.0244 0.0003 1014 TYR 93 H -0.0194 0.0103 -0.0252 1015 TYR 93 HA -0.0060 0.0099 -0.0171 1016 TYR 93 HB2 -0.0160 -0.0040 -0.0208 1017 TYR 93 HB3 -0.0135 -0.0052 -0.0191 1018 TYR 93 HD1 -0.0069 -0.0073 -0.0147 1019 TYR 93 HD2 -0.0012 -0.0113 -0.0106 1020 TYR 93 HE1 0.0037 -0.0167 -0.0068 1021 TYR 93 HE2 0.0095 -0.0207 -0.0026 1022 TYR 93 HH 0.0179 -0.0221 0.0027 1023 VAL 94 N -0.0483 -0.0230 0.0052 1024 VAL 94 CA -0.0333 -0.0120 0.0034 1025 VAL 94 C -0.0315 -0.0090 0.0035 1026 VAL 94 O -0.0279 -0.0213 0.0004 1027 VAL 94 CB -0.0165 -0.0185 -0.0019 1028 VAL 94 CG1 -0.0128 -0.0368 -0.0062 1029 VAL 94 CG2 -0.0014 -0.0061 -0.0035 1030 VAL 94 H -0.0468 -0.0340 0.0028 1031 VAL 94 HA -0.0360 0.0005 0.0063 1032 VAL 94 HB -0.0183 -0.0185 -0.0015 1033 VAL 94 HG11 -0.0012 -0.0406 -0.0097 1034 VAL 94 HG12 -0.0114 -0.0374 -0.0066 1035 VAL 94 HG13 -0.0232 -0.0455 -0.0051 1036 VAL 94 HG21 0.0003 -0.0053 -0.0038 1037 VAL 94 HG22 0.0100 -0.0109 -0.0072 1038 VAL 94 HG23 -0.0037 0.0066 -0.0007