1 PRO 42 N 0.0047 -0.0025 -0.0020 2 PRO 42 CA 0.0047 -0.0018 -0.0026 3 PRO 42 C 0.0037 -0.0012 -0.0028 4 PRO 42 O 0.0032 -0.0009 -0.0029 5 PRO 42 CB 0.0056 -0.0013 -0.0032 6 PRO 42 CG 0.0056 -0.0014 -0.0031 7 PRO 42 CD 0.0053 -0.0023 -0.0023 8 PRO 42 H 0.0050 -0.0031 -0.0017 9 PRO 42 HA 0.0049 -0.0021 -0.0024 10 PRO 42 HB3 0.0063 -0.0016 -0.0032 11 PRO 42 HB2 0.0054 -0.0006 -0.0037 12 PRO 42 HG3 0.0063 -0.0013 -0.0033 13 PRO 42 HG2 0.0050 -0.0010 -0.0033 14 PRO 42 HD2 0.0049 -0.0023 -0.0022 15 PRO 42 HD3 0.0060 -0.0027 -0.0021 16 ARG 43 N 0.0033 -0.0011 -0.0028 17 ARG 43 CA 0.0023 -0.0005 -0.0030 18 ARG 43 C 0.0023 0.0004 -0.0038 19 ARG 43 O 0.0016 0.0008 -0.0039 20 ARG 43 CB 0.0020 -0.0005 -0.0029 21 ARG 43 CG 0.0011 0.0001 -0.0032 22 ARG 43 CD 0.0009 -0.0000 -0.0031 23 ARG 43 NE 0.0000 0.0006 -0.0034 24 ARG 43 CZ 0.0001 0.0014 -0.0041 25 ARG 43 NH1 0.0010 0.0018 -0.0045 26 ARG 43 NH2 -0.0007 0.0019 -0.0042 27 ARG 43 H 0.0036 -0.0014 -0.0027 28 ARG 43 HA 0.0017 -0.0007 -0.0027 29 ARG 43 HB3 0.0027 -0.0004 -0.0032 30 ARG 43 HB2 0.0019 -0.0012 -0.0024 31 ARG 43 HG3 0.0004 -0.0000 -0.0030 32 ARG 43 HG2 0.0012 0.0007 -0.0037 33 ARG 43 HD3 0.0016 -0.0001 -0.0032 34 ARG 43 HD2 0.0006 -0.0006 -0.0025 35 ARG 43 HH22 -0.0007 0.0025 -0.0047 36 ARG 43 HH21 -0.0013 0.0017 -0.0039 37 ARG 43 HH12 0.0011 0.0024 -0.0050 38 ARG 43 HH11 0.0016 0.0015 -0.0044 39 ARG 43 HE -0.0006 0.0004 -0.0031 40 THR 44 N 0.0015 0.0002 -0.0045 41 THR 44 CA 0.0016 0.0007 -0.0052 42 THR 44 C 0.0023 0.0008 -0.0048 43 THR 44 O 0.0031 0.0008 -0.0044 44 THR 44 CB 0.0019 0.0014 -0.0059 45 THR 44 OG1 0.0012 0.0013 -0.0062 46 THR 44 CG2 0.0020 0.0020 -0.0067 47 THR 44 H 0.0022 0.0002 -0.0041 48 THR 44 HA 0.0009 0.0006 -0.0054 49 THR 44 HB 0.0026 0.0015 -0.0057 50 THR 44 HG1 0.0006 0.0012 -0.0064 51 THR 44 HG21 0.0022 0.0024 -0.0072 52 THR 44 HG22 0.0026 0.0021 -0.0065 53 THR 44 HG23 0.0013 0.0019 -0.0069 54 VAL 45 N 0.0020 0.0008 -0.0050 55 VAL 45 CA 0.0026 0.0008 -0.0047 56 VAL 45 C 0.0026 0.0013 -0.0055 57 VAL 45 O 0.0019 0.0015 -0.0061 58 VAL 45 CB 0.0021 0.0001 -0.0040 59 VAL 45 CG1 0.0021 -0.0004 -0.0033 60 VAL 45 CG2 0.0011 -0.0001 -0.0044 61 VAL 45 H 0.0013 0.0007 -0.0054 62 VAL 45 HA 0.0033 0.0009 -0.0044 63 VAL 45 HB 0.0026 0.0001 -0.0038 64 VAL 45 HG11 0.0020 -0.0009 -0.0027 65 VAL 45 HG12 0.0028 -0.0003 -0.0031 66 VAL 45 HG13 0.0016 -0.0005 -0.0035 67 VAL 45 HG21 0.0008 -0.0005 -0.0039 68 VAL 45 HG22 0.0006 -0.0001 -0.0047 69 VAL 45 HG23 0.0011 0.0003 -0.0049 70 MET 46 N -0.0011 0.0035 -0.0069 71 MET 46 CA -0.0009 0.0041 -0.0072 72 MET 46 C -0.0012 0.0032 -0.0067 73 MET 46 O -0.0009 0.0026 -0.0059 74 MET 46 CB 0.0001 0.0049 -0.0068 75 MET 46 CG 0.0004 0.0059 -0.0073 76 MET 46 SD 0.0015 0.0069 -0.0069 77 MET 46 CE 0.0022 0.0064 -0.0057 78 MET 46 H -0.0006 0.0034 -0.0062 79 MET 46 HA -0.0013 0.0044 -0.0080 80 MET 46 HB3 0.0002 0.0052 -0.0069 81 MET 46 HB2 0.0005 0.0046 -0.0060 82 MET 46 HG3 0.0003 0.0056 -0.0072 83 MET 46 HG2 -0.0001 0.0062 -0.0081 84 MET 46 HE1 0.0029 0.0070 -0.0054 85 MET 46 HE2 0.0019 0.0062 -0.0058 86 MET 46 HE3 0.0020 0.0057 -0.0052 87 VAL 47 N -0.0016 0.0033 -0.0073 88 VAL 47 CA -0.0019 0.0026 -0.0070 89 VAL 47 C -0.0015 0.0034 -0.0072 90 VAL 47 O -0.0017 0.0040 -0.0081 91 VAL 47 CB -0.0029 0.0019 -0.0076 92 VAL 47 CG1 -0.0032 0.0013 -0.0073 93 VAL 47 CG2 -0.0033 0.0012 -0.0074 94 VAL 47 H -0.0019 0.0038 -0.0081 95 VAL 47 HA -0.0015 0.0021 -0.0062 96 VAL 47 HB -0.0032 0.0024 -0.0084 97 VAL 47 HG11 -0.0039 0.0007 -0.0077 98 VAL 47 HG12 -0.0030 0.0017 -0.0076 99 VAL 47 HG13 -0.0028 0.0008 -0.0065 100 VAL 47 HG21 -0.0040 0.0006 -0.0077 101 VAL 47 HG22 -0.0030 0.0007 -0.0066 102 VAL 47 HG23 -0.0033 0.0016 -0.0077 103 ASN 48 N -0.0035 0.0035 -0.0061 104 ASN 48 CA -0.0039 0.0029 -0.0054 105 ASN 48 C -0.0039 0.0013 -0.0056 106 ASN 48 O -0.0040 0.0007 -0.0053 107 ASN 48 CB -0.0044 0.0034 -0.0040 108 ASN 48 CG -0.0048 0.0029 -0.0030 109 ASN 48 OD1 -0.0047 0.0021 -0.0033 110 ASN 48 ND2 -0.0053 0.0033 -0.0019 111 ASN 48 H -0.0037 0.0037 -0.0057 112 ASN 48 HA -0.0037 0.0032 -0.0057 113 ASN 48 HB3 -0.0045 0.0031 -0.0037 114 ASN 48 HB2 -0.0043 0.0045 -0.0040 115 ASN 48 HD22 -0.0056 0.0029 -0.0011 116 ASN 48 HD21 -0.0053 0.0039 -0.0016 117 LEU 49 N -0.0037 0.0007 -0.0062 118 LEU 49 CA -0.0036 -0.0007 -0.0066 119 LEU 49 C -0.0041 -0.0017 -0.0055 120 LEU 49 O -0.0041 -0.0029 -0.0056 121 LEU 49 CB -0.0032 -0.0010 -0.0076 122 LEU 49 CG -0.0026 -0.0004 -0.0089 123 LEU 49 CD1 -0.0023 -0.0008 -0.0099 124 LEU 49 CD2 -0.0025 -0.0007 -0.0094 125 LEU 49 H -0.0036 0.0012 -0.0064 126 LEU 49 HA -0.0035 -0.0010 -0.0069 127 LEU 49 HB3 -0.0032 -0.0021 -0.0078 128 LEU 49 HB2 -0.0033 -0.0007 -0.0073 129 LEU 49 HG -0.0026 0.0007 -0.0088 130 LEU 49 HD11 -0.0019 -0.0009 -0.0108 131 LEU 49 HD12 -0.0022 -0.0001 -0.0099 132 LEU 49 HD13 -0.0024 -0.0018 -0.0096 133 LEU 49 HD21 -0.0020 -0.0007 -0.0104 134 LEU 49 HD22 -0.0026 -0.0017 -0.0091 135 LEU 49 HD23 -0.0026 -0.0000 -0.0090 136 ASN 50 N -0.0070 -0.0026 -0.0023 137 ASN 50 CA -0.0072 -0.0032 -0.0014 138 ASN 50 C -0.0070 -0.0031 -0.0017 139 ASN 50 O -0.0076 -0.0026 -0.0017 140 ASN 50 CB -0.0083 -0.0029 -0.0006 141 ASN 50 CG -0.0085 -0.0032 -0.0000 142 ASN 50 OD1 -0.0078 -0.0038 0.0000 143 ASN 50 ND2 -0.0094 -0.0029 0.0005 144 ASN 50 H -0.0076 -0.0020 -0.0024 145 ASN 50 HA -0.0067 -0.0039 -0.0010 146 ASN 50 HB3 -0.0085 -0.0033 -0.0000 147 ASN 50 HB2 -0.0088 -0.0022 -0.0010 148 ASN 50 HD22 -0.0096 -0.0031 0.0009 149 ASN 50 HD21 -0.0100 -0.0024 0.0005 150 ILE 51 N -0.0060 -0.0036 -0.0021 151 ILE 51 CA -0.0055 -0.0036 -0.0025 152 ILE 51 C -0.0060 -0.0037 -0.0019 153 ILE 51 O -0.0064 -0.0042 -0.0010 154 ILE 51 CB -0.0043 -0.0044 -0.0027 155 ILE 51 CG1 -0.0037 -0.0043 -0.0034 156 ILE 51 CG2 -0.0038 -0.0045 -0.0030 157 ILE 51 CD1 -0.0027 -0.0052 -0.0033 158 ILE 51 H -0.0055 -0.0040 -0.0021 159 ILE 51 HA -0.0056 -0.0030 -0.0032 160 ILE 51 HB -0.0043 -0.0050 -0.0019 161 ILE 51 HG13 -0.0042 -0.0040 -0.0033 162 ILE 51 HG12 -0.0035 -0.0038 -0.0042 163 ILE 51 HG21 -0.0030 -0.0050 -0.0032 164 ILE 51 HG22 -0.0041 -0.0047 -0.0025 165 ILE 51 HG23 -0.0039 -0.0039 -0.0037 166 ILE 51 HD11 -0.0024 -0.0051 -0.0037 167 ILE 51 HD12 -0.0029 -0.0057 -0.0025 168 ILE 51 HD13 -0.0022 -0.0055 -0.0034 169 HIS 52 N -0.0043 -0.0023 -0.0007 170 HIS 52 CA -0.0039 -0.0019 -0.0017 171 HIS 52 C -0.0039 -0.0010 -0.0016 172 HIS 52 O -0.0041 -0.0010 -0.0008 173 HIS 52 CB -0.0037 -0.0029 -0.0024 174 HIS 52 CG -0.0036 -0.0037 -0.0029 175 HIS 52 ND1 -0.0036 -0.0035 -0.0027 176 HIS 52 CD2 -0.0034 -0.0045 -0.0035 177 HIS 52 CE1 -0.0034 -0.0042 -0.0033 178 HIS 52 NE2 -0.0033 -0.0049 -0.0038 179 HIS 52 H -0.0044 -0.0026 -0.0003 180 HIS 52 HA -0.0037 -0.0016 -0.0022 181 HIS 52 HB3 -0.0034 -0.0027 -0.0030 182 HIS 52 HB2 -0.0039 -0.0035 -0.0019 183 HIS 52 HD1 -0.0038 -0.0029 -0.0022 184 HIS 52 HD2 -0.0033 -0.0049 -0.0039 185 HIS 52 HE1 -0.0034 -0.0043 -0.0033 186 ASN 53 N -0.0036 -0.0002 -0.0023 187 ASN 53 CA -0.0035 0.0006 -0.0023 188 ASN 53 C -0.0033 0.0003 -0.0030 189 ASN 53 O -0.0030 -0.0001 -0.0038 190 ASN 53 CB -0.0033 0.0017 -0.0026 191 ASN 53 CG -0.0036 0.0024 -0.0018 192 ASN 53 OD1 -0.0036 0.0034 -0.0016 193 ASN 53 ND2 -0.0038 0.0018 -0.0012 194 ASN 53 H -0.0033 -0.0003 -0.0030 195 ASN 53 HA -0.0038 0.0008 -0.0015 196 ASN 53 HB3 -0.0032 0.0023 -0.0028 197 ASN 53 HB2 -0.0031 0.0016 -0.0033 198 ASN 53 HD22 -0.0040 0.0022 -0.0007 199 ASN 53 HD21 -0.0038 0.0010 -0.0014 200 ARG 54 N -0.0039 0.0061 0.0010 201 ARG 54 CA -0.0021 0.0021 0.0020 202 ARG 54 C -0.0027 0.0006 0.0023 203 ARG 54 O -0.0061 -0.0007 0.0024 204 ARG 54 CB -0.0041 -0.0007 0.0026 205 ARG 54 CG -0.0030 -0.0053 0.0037 206 ARG 54 CD 0.0016 -0.0063 0.0041 207 ARG 54 NE 0.0027 -0.0053 0.0040 208 ARG 54 CZ 0.0065 -0.0053 0.0042 209 ARG 54 NH1 0.0098 -0.0064 0.0047 210 ARG 54 NH2 0.0070 -0.0040 0.0040 211 ARG 54 H -0.0070 0.0061 0.0008 212 ARG 54 HA 0.0013 0.0022 0.0022 213 ARG 54 HB3 -0.0075 -0.0005 0.0023 214 ARG 54 HB2 -0.0034 0.0004 0.0023 215 ARG 54 HG3 -0.0040 -0.0067 0.0039 216 ARG 54 HG2 -0.0049 -0.0069 0.0039 217 ARG 54 HD3 0.0035 -0.0043 0.0038 218 ARG 54 HD2 0.0023 -0.0094 0.0049 219 ARG 54 HH22 0.0096 -0.0040 0.0041 220 ARG 54 HH21 0.0044 -0.0028 0.0035 221 ARG 54 HH12 0.0127 -0.0064 0.0048 222 ARG 54 HH11 0.0095 -0.0073 0.0049 223 ARG 54 HE 0.0002 -0.0046 0.0037 224 ASN 55 N 0.0006 0.0008 0.0025 225 ASN 55 CA 0.0010 -0.0010 0.0029 226 ASN 55 C -0.0021 0.0006 0.0023 227 ASN 55 O -0.0029 -0.0014 0.0028 228 ASN 55 CB 0.0008 -0.0058 0.0040 229 ASN 55 CG 0.0048 -0.0075 0.0046 230 ASN 55 OD1 0.0054 -0.0079 0.0048 231 ASN 55 ND2 0.0077 -0.0085 0.0050 232 ASN 55 H 0.0033 0.0021 0.0023 233 ASN 55 HA 0.0041 -0.0001 0.0029 234 ASN 55 HB3 0.0003 -0.0071 0.0043 235 ASN 55 HB2 -0.0018 -0.0068 0.0041 236 ASN 55 HD22 0.0104 -0.0097 0.0055 237 ASN 55 HD21 0.0072 -0.0081 0.0049 238 THR 56 N -0.0025 0.0056 0.0028 239 THR 56 CA -0.0030 0.0058 0.0026 240 THR 56 C -0.0008 0.0053 0.0037 241 THR 56 O -0.0009 0.0047 0.0034 242 THR 56 CB -0.0043 0.0084 0.0028 243 THR 56 OG1 -0.0033 0.0102 0.0042 244 THR 56 CG2 -0.0068 0.0088 0.0016 245 THR 56 H -0.0030 0.0072 0.0031 246 THR 56 HA -0.0040 0.0044 0.0015 247 THR 56 HB -0.0044 0.0088 0.0029 248 THR 56 HG1 -0.0039 0.0118 0.0045 249 THR 56 HG21 -0.0077 0.0106 0.0018 250 THR 56 HG22 -0.0077 0.0075 0.0005 251 THR 56 HG23 -0.0068 0.0084 0.0014 252 ASN 57 N 0.0012 0.0055 0.0049 253 ASN 57 CA 0.0035 0.0048 0.0059 254 ASN 57 C 0.0047 0.0022 0.0056 255 ASN 57 O 0.0067 0.0016 0.0065 256 ASN 57 CB 0.0049 0.0068 0.0075 257 ASN 57 CG 0.0042 0.0091 0.0080 258 ASN 57 OD1 0.0030 0.0109 0.0081 259 ASN 57 ND2 0.0048 0.0092 0.0084 260 ASN 57 H 0.0011 0.0062 0.0051 261 ASN 57 HA 0.0033 0.0048 0.0058 262 ASN 57 HB3 0.0067 0.0061 0.0083 263 ASN 57 HB2 0.0049 0.0072 0.0077 264 ASN 57 HD22 0.0043 0.0107 0.0087 265 ASN 57 HD21 0.0058 0.0077 0.0084 266 THR 58 N -0.0006 0.0043 0.0074 267 THR 58 CA -0.0021 0.0075 0.0091 268 THR 58 C 0.0003 0.0066 0.0077 269 THR 58 O 0.0044 0.0072 0.0059 270 THR 58 CB -0.0008 0.0126 0.0100 271 THR 58 OG1 -0.0024 0.0132 0.0110 272 THR 58 CG2 -0.0027 0.0162 0.0120 273 THR 58 H 0.0026 0.0049 0.0061 274 THR 58 HA -0.0057 0.0068 0.0106 275 THR 58 HB 0.0028 0.0135 0.0086 276 THR 58 HG1 -0.0022 0.0102 0.0100 277 THR 58 HG21 -0.0018 0.0198 0.0127 278 THR 58 HG22 -0.0013 0.0161 0.0113 279 THR 58 HG23 -0.0063 0.0156 0.0135 280 ASN 59 N -0.0022 0.0051 0.0084 281 ASN 59 CA -0.0005 0.0037 0.0072 282 ASN 59 C 0.0029 0.0001 0.0045 283 ASN 59 O 0.0066 0.0010 0.0030 284 ASN 59 CB 0.0016 0.0081 0.0075 285 ASN 59 CG -0.0017 0.0116 0.0101 286 ASN 59 OD1 -0.0056 0.0103 0.0116 287 ASN 59 ND2 -0.0001 0.0161 0.0107 288 ASN 59 H -0.0055 0.0047 0.0099 289 ASN 59 HA -0.0032 0.0019 0.0080 290 ASN 59 HB3 0.0027 0.0069 0.0066 291 ASN 59 HB2 0.0045 0.0098 0.0067 292 ASN 59 HD22 -0.0021 0.0185 0.0124 293 ASN 59 HD21 0.0032 0.0171 0.0095 294 PRO 60 N 0.0037 0.0041 0.0076 295 PRO 60 CA 0.0030 0.0050 0.0067 296 PRO 60 C 0.0039 0.0025 0.0049 297 PRO 60 O 0.0052 -0.0004 0.0042 298 PRO 60 CB 0.0031 0.0064 0.0103 299 PRO 60 CG 0.0048 0.0045 0.0129 300 PRO 60 CD 0.0046 0.0042 0.0114 301 PRO 60 HA 0.0015 0.0070 0.0050 302 PRO 60 HXT 0.0033 0.0033 0.0042 303 PRO 60 HB3 0.0019 0.0089 0.0108 304 PRO 60 HB2 0.0033 0.0062 0.0106 305 PRO 60 HG3 0.0048 0.0057 0.0156 306 PRO 60 HG2 0.0060 0.0022 0.0130 307 PRO 60 HD2 0.0059 0.0021 0.0121 308 PRO 60 HD3 0.0037 0.0063 0.0123 309 ASP 65 N 0.0040 -0.0163 0.0223 310 ASP 65 CA 0.0099 -0.0188 0.0231 311 ASP 65 C 0.0140 -0.0176 0.0171 312 ASP 65 O 0.0194 -0.0194 0.0168 313 ASP 65 CB 0.0126 -0.0218 0.0277 314 ASP 65 CG 0.0181 -0.0246 0.0297 315 ASP 65 OD1 0.0176 -0.0254 0.0318 316 ASP 65 OD2 0.0227 -0.0260 0.0290 317 ASP 65 H1 0.0036 -0.0170 0.0242 318 ASP 65 H2 0.0008 -0.0163 0.0248 319 ASP 65 HA 0.0092 -0.0192 0.0246 320 ASP 65 HB3 0.0136 -0.0215 0.0262 321 ASP 65 HB2 0.0093 -0.0223 0.0316 322 TYR 66 N 0.0113 -0.0146 0.0124 323 TYR 66 CA 0.0142 -0.0130 0.0065 324 TYR 66 C 0.0177 -0.0139 0.0057 325 TYR 66 O 0.0221 -0.0139 0.0021 326 TYR 66 CB 0.0097 -0.0095 0.0022 327 TYR 66 CG 0.0062 -0.0081 0.0019 328 TYR 66 CD1 0.0085 -0.0095 0.0032 329 TYR 66 CD2 0.0005 -0.0053 0.0001 330 TYR 66 CE1 0.0053 -0.0081 0.0026 331 TYR 66 CE2 -0.0028 -0.0039 -0.0004 332 TYR 66 CZ -0.0004 -0.0053 0.0008 333 TYR 66 OH -0.0035 -0.0038 0.0001 334 TYR 66 H 0.0069 -0.0133 0.0131 335 TYR 66 HA 0.0175 -0.0138 0.0056 336 TYR 66 HB3 0.0121 -0.0084 -0.0022 337 TYR 66 HB2 0.0066 -0.0087 0.0030 338 TYR 66 HD1 0.0129 -0.0116 0.0044 339 TYR 66 HD2 -0.0014 -0.0041 -0.0010 340 TYR 66 HE1 0.0072 -0.0091 0.0034 341 TYR 66 HE2 -0.0071 -0.0017 -0.0019 342 TYR 66 HH -0.0013 -0.0047 0.0002 343 TYR 67 N 0.0206 -0.0123 0.0015 344 TYR 67 CA 0.0203 -0.0124 -0.0009 345 TYR 67 C 0.0210 -0.0149 -0.0011 346 TYR 67 O 0.0209 -0.0157 -0.0033 347 TYR 67 CB 0.0195 -0.0099 -0.0009 348 TYR 67 CG 0.0197 -0.0097 0.0010 349 TYR 67 CD1 0.0200 -0.0092 0.0037 350 TYR 67 CD2 0.0197 -0.0100 0.0001 351 TYR 67 CE1 0.0203 -0.0092 0.0055 352 TYR 67 CE2 0.0199 -0.0100 0.0018 353 TYR 67 CZ 0.0203 -0.0096 0.0046 354 TYR 67 OH 0.0206 -0.0096 0.0063 355 TYR 67 H 0.0205 -0.0110 0.0030 356 TYR 67 HA 0.0200 -0.0125 -0.0026 357 TYR 67 HB3 0.0190 -0.0083 -0.0006 358 TYR 67 HB2 0.0191 -0.0098 -0.0029 359 TYR 67 HD1 0.0200 -0.0089 0.0045 360 TYR 67 HD2 0.0194 -0.0103 -0.0020 361 TYR 67 HE1 0.0205 -0.0089 0.0076 362 TYR 67 HE2 0.0199 -0.0103 0.0011 363 TYR 67 HH 0.0209 -0.0098 0.0081 364 ASN 68 N 0.0218 -0.0160 0.0012 365 ASN 68 CA 0.0226 -0.0184 0.0013 366 ASN 68 C 0.0233 -0.0207 0.0013 367 ASN 68 O 0.0237 -0.0226 -0.0001 368 ASN 68 CB 0.0230 -0.0184 0.0038 369 ASN 68 CG 0.0225 -0.0171 0.0036 370 ASN 68 OD1 0.0223 -0.0175 0.0016 371 ASN 68 ND2 0.0224 -0.0155 0.0056 372 ASN 68 H 0.0218 -0.0152 0.0029 373 ASN 68 HA 0.0224 -0.0186 -0.0005 374 ASN 68 HB3 0.0237 -0.0204 0.0043 375 ASN 68 HB2 0.0230 -0.0177 0.0055 376 ASN 68 HD22 0.0220 -0.0145 0.0055 377 ASN 68 HD21 0.0225 -0.0152 0.0072 378 ARG 69 N 0.0178 -0.0173 0.0108 379 ARG 69 CA 0.0192 -0.0168 0.0091 380 ARG 69 C 0.0204 -0.0150 0.0054 381 ARG 69 O 0.0218 -0.0146 0.0038 382 ARG 69 CB 0.0162 -0.0161 0.0098 383 ARG 69 CG 0.0152 -0.0179 0.0135 384 ARG 69 CD 0.0115 -0.0171 0.0144 385 ARG 69 NE 0.0111 -0.0154 0.0120 386 ARG 69 CZ 0.0081 -0.0136 0.0109 387 ARG 69 NH1 0.0083 -0.0123 0.0085 388 ARG 69 NH2 0.0049 -0.0132 0.0121 389 ARG 69 H 0.0151 -0.0169 0.0118 390 ARG 69 HA 0.0215 -0.0183 0.0101 391 ARG 69 HB3 0.0170 -0.0155 0.0084 392 ARG 69 HB2 0.0138 -0.0147 0.0090 393 ARG 69 HG3 0.0150 -0.0188 0.0150 394 ARG 69 HG2 0.0174 -0.0192 0.0143 395 ARG 69 HD3 0.0094 -0.0165 0.0148 396 ARG 69 HD2 0.0115 -0.0185 0.0167 397 ARG 69 HH22 0.0025 -0.0119 0.0115 398 ARG 69 HH21 0.0048 -0.0142 0.0138 399 ARG 69 HH12 0.0062 -0.0110 0.0076 400 ARG 69 HH11 0.0108 -0.0126 0.0075 401 ARG 69 HE 0.0135 -0.0158 0.0110 402 SER 70 N 0.0197 -0.0139 0.0039 403 SER 70 CA 0.0208 -0.0121 0.0004 404 SER 70 C 0.0249 -0.0131 -0.0007 405 SER 70 O 0.0268 -0.0149 0.0012 406 SER 70 CB 0.0187 -0.0108 -0.0005 407 SER 70 OG 0.0197 -0.0092 -0.0039 408 SER 70 H 0.0187 -0.0144 0.0054 409 SER 70 HA 0.0199 -0.0110 -0.0009 410 SER 70 HB3 0.0190 -0.0119 0.0011 411 SER 70 HB2 0.0158 -0.0099 -0.0002 412 SER 70 HG 0.0179 -0.0077 -0.0051 413 THR 71 N 0.0123 -0.0072 0.0010 414 THR 71 CA 0.0120 -0.0067 0.0018 415 THR 71 C 0.0115 -0.0071 0.0029 416 THR 71 O 0.0113 -0.0066 0.0036 417 THR 71 CB 0.0121 -0.0069 0.0016 418 THR 71 OG1 0.0121 -0.0080 0.0015 419 THR 71 CG2 0.0125 -0.0063 0.0007 420 THR 71 H 0.0124 -0.0078 0.0006 421 THR 71 HA 0.0121 -0.0058 0.0018 422 THR 71 HB 0.0118 -0.0066 0.0023 423 THR 71 HG1 0.0123 -0.0082 0.0008 424 THR 71 HG21 0.0126 -0.0064 0.0006 425 THR 71 HG22 0.0126 -0.0054 0.0008 426 THR 71 HG23 0.0128 -0.0066 0.0000 427 SER 72 N 0.0114 -0.0081 0.0029 428 SER 72 CA 0.0110 -0.0086 0.0038 429 SER 72 C 0.0111 -0.0089 0.0037 430 SER 72 O 0.0110 -0.0099 0.0036 431 SER 72 CB 0.0109 -0.0096 0.0040 432 SER 72 OG 0.0112 -0.0103 0.0031 433 SER 72 H 0.0117 -0.0085 0.0023 434 SER 72 HA 0.0108 -0.0081 0.0045 435 SER 72 HB3 0.0108 -0.0093 0.0042 436 SER 72 HB2 0.0106 -0.0101 0.0047 437 SER 72 HG 0.0113 -0.0104 0.0029 438 PRO 73 N 0.0131 -0.0102 -0.0046 439 PRO 73 CA 0.0130 -0.0099 -0.0042 440 PRO 73 C 0.0124 -0.0096 -0.0041 441 PRO 73 O 0.0121 -0.0097 -0.0043 442 PRO 73 CB 0.0134 -0.0097 -0.0038 443 PRO 73 CG 0.0135 -0.0099 -0.0040 444 PRO 73 CD 0.0135 -0.0103 -0.0045 445 PRO 73 HA 0.0130 -0.0099 -0.0042 446 PRO 73 HB3 0.0138 -0.0098 -0.0038 447 PRO 73 HB2 0.0133 -0.0094 -0.0035 448 PRO 73 HG3 0.0139 -0.0099 -0.0039 449 PRO 73 HG2 0.0132 -0.0097 -0.0040 450 PRO 73 HD2 0.0133 -0.0104 -0.0047 451 PRO 73 HD3 0.0139 -0.0104 -0.0046 452 TRP 74 N 0.0122 -0.0094 -0.0039 453 TRP 74 CA 0.0116 -0.0092 -0.0038 454 TRP 74 C 0.0116 -0.0088 -0.0033 455 TRP 74 O 0.0120 -0.0087 -0.0030 456 TRP 74 CB 0.0112 -0.0093 -0.0041 457 TRP 74 CG 0.0113 -0.0093 -0.0040 458 TRP 74 CD1 0.0110 -0.0090 -0.0038 459 TRP 74 CD2 0.0117 -0.0096 -0.0043 460 TRP 74 NE1 0.0112 -0.0091 -0.0038 461 TRP 74 CE2 0.0116 -0.0095 -0.0041 462 TRP 74 CE3 0.0121 -0.0099 -0.0045 463 TRP 74 CZ2 0.0119 -0.0097 -0.0043 464 TRP 74 CZ3 0.0124 -0.0101 -0.0047 465 TRP 74 CH2 0.0123 -0.0100 -0.0046 466 TRP 74 H 0.0124 -0.0093 -0.0037 467 TRP 74 HA 0.0114 -0.0092 -0.0038 468 TRP 74 HB3 0.0113 -0.0096 -0.0044 469 TRP 74 HB2 0.0108 -0.0092 -0.0041 470 TRP 74 HD1 0.0107 -0.0088 -0.0036 471 TRP 74 HE1 0.0110 -0.0090 -0.0037 472 TRP 74 HE3 0.0121 -0.0100 -0.0046 473 TRP 74 HZ2 0.0118 -0.0096 -0.0042 474 TRP 74 HZ3 0.0127 -0.0104 -0.0049 475 TRP 74 HH2 0.0125 -0.0101 -0.0047 476 ASN 75 N 0.0068 -0.0092 -0.0067 477 ASN 75 CA 0.0065 -0.0074 -0.0054 478 ASN 75 C 0.0044 -0.0077 -0.0056 479 ASN 75 O 0.0028 -0.0086 -0.0063 480 ASN 75 CB 0.0060 -0.0058 -0.0041 481 ASN 75 CG 0.0081 -0.0053 -0.0037 482 ASN 75 OD1 0.0086 -0.0062 -0.0044 483 ASN 75 ND2 0.0094 -0.0039 -0.0026 484 ASN 75 H 0.0053 -0.0098 -0.0072 485 ASN 75 HA 0.0080 -0.0071 -0.0051 486 ASN 75 HB3 0.0055 -0.0046 -0.0032 487 ASN 75 HB2 0.0046 -0.0062 -0.0044 488 ASN 75 HD22 0.0107 -0.0036 -0.0023 489 ASN 75 HD21 0.0089 -0.0031 -0.0020 490 LEU 76 N 0.0046 -0.0068 -0.0049 491 LEU 76 CA 0.0027 -0.0068 -0.0049 492 LEU 76 C 0.0012 -0.0051 -0.0036 493 LEU 76 O 0.0020 -0.0036 -0.0025 494 LEU 76 CB 0.0038 -0.0067 -0.0048 495 LEU 76 CG 0.0053 -0.0084 -0.0061 496 LEU 76 CD1 0.0065 -0.0080 -0.0058 497 LEU 76 CD2 0.0038 -0.0101 -0.0075 498 LEU 76 H 0.0059 -0.0059 -0.0042 499 LEU 76 HA 0.0017 -0.0080 -0.0059 500 LEU 76 HB3 0.0025 -0.0065 -0.0047 501 LEU 76 HB2 0.0049 -0.0055 -0.0039 502 LEU 76 HG 0.0066 -0.0086 -0.0063 503 LEU 76 HD11 0.0081 -0.0088 -0.0064 504 LEU 76 HD12 0.0069 -0.0066 -0.0047 505 LEU 76 HD13 0.0054 -0.0084 -0.0062 506 LEU 76 HD21 0.0041 -0.0109 -0.0081 507 LEU 76 HD22 0.0020 -0.0099 -0.0073 508 LEU 76 HD23 0.0043 -0.0110 -0.0082 509 HIS 77 N -0.0090 -0.0040 -0.0066 510 HIS 77 CA -0.0128 -0.0009 -0.0048 511 HIS 77 C -0.0129 -0.0030 -0.0050 512 HIS 77 O -0.0125 -0.0079 -0.0060 513 HIS 77 CB -0.0181 -0.0016 -0.0029 514 HIS 77 CG -0.0181 0.0003 -0.0026 515 HIS 77 ND1 -0.0161 -0.0026 -0.0038 516 HIS 77 CD2 -0.0198 0.0050 -0.0012 517 HIS 77 CE1 -0.0164 0.0004 -0.0032 518 HIS 77 NE2 -0.0188 0.0050 -0.0016 519 HIS 77 H -0.0098 -0.0081 -0.0070 520 HIS 77 HA -0.0116 0.0035 -0.0045 521 HIS 77 HB3 -0.0210 0.0006 -0.0015 522 HIS 77 HB2 -0.0195 -0.0059 -0.0031 523 HIS 77 HD1 -0.0143 -0.0063 -0.0050 524 HIS 77 HD2 -0.0217 0.0084 -0.0000 525 HIS 77 HE1 -0.0149 -0.0008 -0.0040 526 ARG 78 N -0.0134 0.0008 -0.0043 527 ARG 78 CA -0.0132 -0.0004 -0.0045 528 ARG 78 C -0.0187 -0.0021 -0.0028 529 ARG 78 O -0.0222 0.0011 -0.0010 530 ARG 78 CB -0.0110 0.0049 -0.0045 531 ARG 78 CG -0.0098 0.0042 -0.0050 532 ARG 78 CD -0.0073 0.0095 -0.0051 533 ARG 78 NE -0.0069 0.0094 -0.0053 534 ARG 78 CZ -0.0106 0.0106 -0.0037 535 ARG 78 NH1 -0.0096 0.0103 -0.0041 536 ARG 78 NH2 -0.0153 0.0120 -0.0018 537 ARG 78 H -0.0140 0.0047 -0.0034 538 ARG 78 HA -0.0105 -0.0037 -0.0060 539 ARG 78 HB3 -0.0137 0.0081 -0.0030 540 ARG 78 HB2 -0.0074 0.0063 -0.0056 541 ARG 78 HG3 -0.0069 0.0011 -0.0066 542 ARG 78 HG2 -0.0132 0.0025 -0.0041 543 ARG 78 HD3 -0.0091 0.0132 -0.0039 544 ARG 78 HD2 -0.0033 0.0099 -0.0065 545 ARG 78 HH22 -0.0183 0.0123 -0.0006 546 ARG 78 HH21 -0.0164 0.0123 -0.0013 547 ARG 78 HH12 -0.0128 0.0102 -0.0030 548 ARG 78 HH11 -0.0062 0.0097 -0.0055 549 ARG 78 HE -0.0035 0.0079 -0.0067 550 ASN 79 N -0.0210 -0.0071 -0.0014 551 ASN 79 CA -0.0229 -0.0082 -0.0006 552 ASN 79 C -0.0188 -0.0068 -0.0018 553 ASN 79 O -0.0145 -0.0083 -0.0013 554 ASN 79 CB -0.0235 -0.0133 0.0023 555 ASN 79 CG -0.0260 -0.0151 0.0034 556 ASN 79 OD1 -0.0241 -0.0145 0.0030 557 ASN 79 ND2 -0.0301 -0.0174 0.0051 558 ASN 79 H -0.0179 -0.0090 -0.0006 559 ASN 79 HA -0.0265 -0.0065 -0.0012 560 ASN 79 HB3 -0.0199 -0.0152 0.0029 561 ASN 79 HB2 -0.0258 -0.0142 0.0029 562 ASN 79 HD22 -0.0318 -0.0187 0.0060 563 ASN 79 HD21 -0.0310 -0.0186 0.0058 564 GLU 80 N -0.0203 -0.0039 -0.0032 565 GLU 80 CA -0.0168 -0.0021 -0.0045 566 GLU 80 C -0.0187 -0.0033 -0.0037 567 GLU 80 O -0.0232 -0.0031 -0.0034 568 GLU 80 CB -0.0164 0.0030 -0.0073 569 GLU 80 CG -0.0129 0.0052 -0.0089 570 GLU 80 CD -0.0117 0.0100 -0.0116 571 GLU 80 OE1 -0.0151 0.0123 -0.0126 572 GLU 80 OE2 -0.0072 0.0110 -0.0126 573 GLU 80 H -0.0240 -0.0031 -0.0033 574 GLU 80 HA -0.0131 -0.0036 -0.0040 575 GLU 80 HB3 -0.0202 0.0046 -0.0079 576 GLU 80 HB2 -0.0151 0.0035 -0.0078 577 GLU 80 HG3 -0.0093 0.0032 -0.0081 578 GLU 80 HG2 -0.0146 0.0053 -0.0088 579 ASP 81 N -0.0018 -0.0099 0.0023 580 ASP 81 CA -0.0004 -0.0088 0.0020 581 ASP 81 C 0.0009 -0.0078 0.0021 582 ASP 81 O 0.0011 -0.0073 0.0037 583 ASP 81 CB -0.0004 -0.0086 0.0035 584 ASP 81 CG 0.0010 -0.0075 0.0035 585 ASP 81 OD1 0.0022 -0.0067 0.0026 586 ASP 81 OD2 0.0008 -0.0074 0.0045 587 ASP 81 H -0.0018 -0.0097 0.0032 588 ASP 81 HA -0.0003 -0.0091 0.0006 589 ASP 81 HB3 -0.0007 -0.0084 0.0049 590 ASP 81 HB2 -0.0014 -0.0093 0.0033 591 PRO 82 N 0.0018 -0.0075 0.0005 592 PRO 82 CA 0.0030 -0.0065 0.0005 593 PRO 82 C 0.0044 -0.0052 0.0015 594 PRO 82 O 0.0052 -0.0045 0.0021 595 PRO 82 CB 0.0034 -0.0066 -0.0016 596 PRO 82 CG 0.0030 -0.0071 -0.0026 597 PRO 82 CD 0.0017 -0.0080 -0.0014 598 PRO 82 HA 0.0025 -0.0067 0.0013 599 PRO 82 HB3 0.0027 -0.0073 -0.0019 600 PRO 82 HB2 0.0046 -0.0058 -0.0019 601 PRO 82 HG3 0.0028 -0.0076 -0.0041 602 PRO 82 HG2 0.0040 -0.0064 -0.0027 603 PRO 82 HD2 0.0016 -0.0080 -0.0015 604 PRO 82 HD3 0.0006 -0.0089 -0.0018 605 GLU 83 N 0.0060 -0.0031 0.0014 606 GLU 83 CA 0.0071 -0.0025 0.0022 607 GLU 83 C 0.0068 -0.0024 0.0039 608 GLU 83 O 0.0076 -0.0019 0.0048 609 GLU 83 CB 0.0073 -0.0024 0.0018 610 GLU 83 CG 0.0080 -0.0023 0.0002 611 GLU 83 CD 0.0094 -0.0016 -0.0000 612 GLU 83 OE1 0.0103 -0.0011 0.0008 613 GLU 83 OE2 0.0096 -0.0017 -0.0009 614 GLU 83 H 0.0052 -0.0035 0.0012 615 GLU 83 HA 0.0080 -0.0021 0.0020 616 GLU 83 HB3 0.0080 -0.0020 0.0026 617 GLU 83 HB2 0.0064 -0.0028 0.0019 618 GLU 83 HG3 0.0081 -0.0023 -0.0001 619 GLU 83 HG2 0.0073 -0.0027 -0.0006 620 ARG 84 N 0.0056 -0.0029 0.0044 621 ARG 84 CA 0.0051 -0.0029 0.0060 622 ARG 84 C 0.0050 -0.0029 0.0063 623 ARG 84 O 0.0047 -0.0032 0.0053 624 ARG 84 CB 0.0037 -0.0035 0.0062 625 ARG 84 CG 0.0030 -0.0036 0.0078 626 ARG 84 CD 0.0016 -0.0043 0.0079 627 ARG 84 NE 0.0006 -0.0049 0.0071 628 ARG 84 CZ -0.0005 -0.0055 0.0065 629 ARG 84 NH1 -0.0014 -0.0060 0.0058 630 ARG 84 NH2 -0.0009 -0.0057 0.0065 631 ARG 84 H 0.0050 -0.0033 0.0036 632 ARG 84 HA 0.0058 -0.0025 0.0067 633 ARG 84 HB3 0.0030 -0.0040 0.0054 634 ARG 84 HB2 0.0039 -0.0035 0.0059 635 ARG 84 HG3 0.0037 -0.0032 0.0086 636 ARG 84 HG2 0.0029 -0.0037 0.0081 637 ARG 84 HD3 0.0018 -0.0043 0.0072 638 ARG 84 HD2 0.0013 -0.0043 0.0090 639 ARG 84 HH22 -0.0017 -0.0061 0.0059 640 ARG 84 HH21 -0.0002 -0.0053 0.0069 641 ARG 84 HH12 -0.0022 -0.0064 0.0053 642 ARG 84 HH11 -0.0011 -0.0059 0.0054 643 ARG 84 HE 0.0007 -0.0048 0.0072 644 TYR 85 N 0.0037 -0.0035 0.0007 645 TYR 85 CA 0.0028 -0.0036 0.0007 646 TYR 85 C 0.0019 -0.0029 0.0018 647 TYR 85 O 0.0024 -0.0023 0.0027 648 TYR 85 CB 0.0035 -0.0036 0.0007 649 TYR 85 CG 0.0026 -0.0036 0.0007 650 TYR 85 CD1 0.0021 -0.0029 0.0017 651 TYR 85 CD2 0.0022 -0.0042 -0.0002 652 TYR 85 CE1 0.0011 -0.0029 0.0018 653 TYR 85 CE2 0.0013 -0.0043 -0.0002 654 TYR 85 CZ 0.0007 -0.0036 0.0008 655 TYR 85 OH -0.0002 -0.0037 0.0008 656 TYR 85 H 0.0041 -0.0030 0.0014 657 TYR 85 HA 0.0022 -0.0041 0.0000 658 TYR 85 HB3 0.0042 -0.0031 0.0014 659 TYR 85 HB2 0.0041 -0.0040 -0.0000 660 TYR 85 HD1 0.0024 -0.0024 0.0025 661 TYR 85 HD2 0.0025 -0.0047 -0.0010 662 TYR 85 HE1 0.0007 -0.0024 0.0025 663 TYR 85 HE2 0.0010 -0.0048 -0.0010 664 TYR 85 HH -0.0004 -0.0032 0.0015 665 PRO 86 N 0.0006 -0.0030 0.0017 666 PRO 86 CA -0.0002 -0.0037 0.0007 667 PRO 86 C 0.0001 -0.0042 0.0000 668 PRO 86 O 0.0001 -0.0039 0.0005 669 PRO 86 CB -0.0016 -0.0035 0.0011 670 PRO 86 CG -0.0016 -0.0028 0.0022 671 PRO 86 CD -0.0003 -0.0024 0.0026 672 PRO 86 HA 0.0001 -0.0040 0.0002 673 PRO 86 HB3 -0.0019 -0.0035 0.0011 674 PRO 86 HB2 -0.0023 -0.0039 0.0006 675 PRO 86 HG3 -0.0024 -0.0024 0.0027 676 PRO 86 HG2 -0.0017 -0.0028 0.0021 677 PRO 86 HD2 0.0000 -0.0020 0.0032 678 PRO 86 HD3 -0.0003 -0.0021 0.0030 679 SER 87 N 0.0029 -0.0102 0.0011 680 SER 87 CA 0.0009 -0.0089 0.0003 681 SER 87 CA 0.0009 -0.0088 0.0002 682 SER 87 C -0.0017 -0.0081 0.0001 683 SER 87 O -0.0039 -0.0078 0.0005 684 SER 87 CB 0.0022 -0.0074 -0.0019 685 SER 87 CB 0.0019 -0.0071 -0.0022 686 SER 87 OG 0.0004 -0.0063 -0.0027 687 SER 87 OG 0.0025 -0.0062 -0.0035 688 SER 87 H 0.0047 -0.0098 0.0001 689 SER 87 HA 0.0003 -0.0097 0.0014 690 SER 87 HA 0.0003 -0.0095 0.0012 691 SER 87 HB3 0.0028 -0.0066 -0.0031 692 SER 87 HB3 0.0037 -0.0076 -0.0022 693 SER 87 HB2 0.0040 -0.0081 -0.0017 694 SER 87 HB2 0.0004 -0.0062 -0.0028 695 SER 87 HG -0.0003 -0.0071 -0.0015 696 SER 87 HG 0.0032 -0.0051 -0.0050 697 VAL 88 N -0.0014 -0.0078 -0.0002 698 VAL 88 CA -0.0037 -0.0072 -0.0003 699 VAL 88 C -0.0040 -0.0088 0.0017 700 VAL 88 O -0.0019 -0.0097 0.0022 701 VAL 88 CB -0.0031 -0.0056 -0.0024 702 VAL 88 CG1 -0.0054 -0.0049 -0.0024 703 VAL 88 CG2 -0.0028 -0.0039 -0.0044 704 VAL 88 H 0.0004 -0.0083 -0.0002 705 VAL 88 HA -0.0056 -0.0066 -0.0003 706 VAL 88 HB -0.0012 -0.0061 -0.0024 707 VAL 88 HG11 -0.0051 -0.0037 -0.0040 708 VAL 88 HG12 -0.0054 -0.0059 -0.0012 709 VAL 88 HG13 -0.0074 -0.0045 -0.0022 710 VAL 88 HG21 -0.0024 -0.0028 -0.0059 711 VAL 88 HG22 -0.0046 -0.0034 -0.0045 712 VAL 88 HG23 -0.0011 -0.0043 -0.0045 713 ILE 89 N -0.0042 -0.0121 -0.0005 714 ILE 89 CA -0.0042 -0.0141 0.0002 715 ILE 89 C -0.0054 -0.0127 -0.0000 716 ILE 89 O -0.0071 -0.0107 -0.0002 717 ILE 89 CB -0.0059 -0.0166 0.0014 718 ILE 89 CG1 -0.0045 -0.0182 0.0016 719 ILE 89 CG2 -0.0064 -0.0186 0.0022 720 ILE 89 CD1 -0.0062 -0.0206 0.0027 721 ILE 89 H -0.0060 -0.0108 -0.0005 722 ILE 89 HA -0.0020 -0.0149 -0.0001 723 ILE 89 HB -0.0080 -0.0157 0.0016 724 ILE 89 HG13 -0.0042 -0.0168 0.0010 725 ILE 89 HG12 -0.0024 -0.0190 0.0013 726 ILE 89 HG21 -0.0077 -0.0203 0.0030 727 ILE 89 HG22 -0.0076 -0.0177 0.0021 728 ILE 89 HG23 -0.0045 -0.0196 0.0020 729 ILE 89 HD11 -0.0056 -0.0210 0.0027 730 ILE 89 HD12 -0.0084 -0.0201 0.0031 731 ILE 89 HD13 -0.0057 -0.0224 0.0032 732 TRP 90 N -0.0044 -0.0136 0.0001 733 TRP 90 CA -0.0055 -0.0125 -0.0000 734 TRP 90 C -0.0070 -0.0148 0.0010 735 TRP 90 O -0.0057 -0.0170 0.0015 736 TRP 90 CB -0.0031 -0.0115 -0.0009 737 TRP 90 CG -0.0018 -0.0089 -0.0020 738 TRP 90 CD1 0.0004 -0.0088 -0.0026 739 TRP 90 CD2 -0.0027 -0.0061 -0.0028 740 TRP 90 NE1 0.0009 -0.0061 -0.0036 741 TRP 90 CE2 -0.0009 -0.0043 -0.0037 742 TRP 90 CE3 -0.0048 -0.0048 -0.0027 743 TRP 90 CZ2 -0.0011 -0.0014 -0.0046 744 TRP 90 CZ3 -0.0051 -0.0019 -0.0035 745 TRP 90 CH2 -0.0032 -0.0002 -0.0045 746 TRP 90 H -0.0032 -0.0153 0.0003 747 TRP 90 HA -0.0070 -0.0107 -0.0003 748 TRP 90 HB3 -0.0038 -0.0111 -0.0009 749 TRP 90 HB2 -0.0014 -0.0132 -0.0008 750 TRP 90 HD1 0.0015 -0.0106 -0.0023 751 TRP 90 HE1 0.0026 -0.0056 -0.0042 752 TRP 90 HE3 -0.0063 -0.0060 -0.0019 753 TRP 90 HZ2 0.0003 -0.0002 -0.0054 754 TRP 90 HZ3 -0.0067 -0.0010 -0.0035 755 TRP 90 HH2 -0.0034 0.0020 -0.0052 756 GLU 91 N -0.0057 -0.0156 -0.0029 757 GLU 91 CA -0.0052 -0.0153 -0.0033 758 GLU 91 C -0.0029 -0.0128 -0.0034 759 GLU 91 O -0.0022 -0.0113 -0.0015 760 GLU 91 CB -0.0067 -0.0160 -0.0008 761 GLU 91 CG -0.0090 -0.0185 -0.0008 762 GLU 91 CD -0.0106 -0.0193 0.0016 763 GLU 91 OE1 -0.0102 -0.0180 0.0040 764 GLU 91 OE2 -0.0123 -0.0213 0.0010 765 GLU 91 H -0.0057 -0.0149 -0.0009 766 GLU 91 HA -0.0055 -0.0163 -0.0053 767 GLU 91 HB3 -0.0064 -0.0156 -0.0010 768 GLU 91 HB2 -0.0065 -0.0150 0.0013 769 GLU 91 HG3 -0.0094 -0.0188 -0.0005 770 GLU 91 HG2 -0.0093 -0.0195 -0.0029 771 ALA 92 N -0.0018 -0.0124 -0.0057 772 ALA 92 CA 0.0004 -0.0102 -0.0061 773 ALA 92 C 0.0006 -0.0093 -0.0043 774 ALA 92 O -0.0004 -0.0105 -0.0044 775 ALA 92 CB 0.0013 -0.0104 -0.0093 776 ALA 92 H -0.0025 -0.0138 -0.0072 777 ALA 92 HA 0.0012 -0.0091 -0.0055 778 ALA 92 HB1 0.0029 -0.0088 -0.0097 779 ALA 92 HB2 0.0012 -0.0110 -0.0106 780 ALA 92 HB3 0.0005 -0.0115 -0.0100 781 LYS 93 N 0.0030 -0.0013 -0.0104 782 LYS 93 CA 0.0018 -0.0021 -0.0109 783 LYS 93 C 0.0005 -0.0032 -0.0103 784 LYS 93 O 0.0002 -0.0034 -0.0105 785 LYS 93 CB 0.0017 -0.0018 -0.0129 786 LYS 93 CG 0.0006 -0.0025 -0.0137 787 LYS 93 CD 0.0004 -0.0022 -0.0157 788 LYS 93 CE -0.0006 -0.0028 -0.0165 789 LYS 93 NZ -0.0008 -0.0026 -0.0184 790 LYS 93 H 0.0028 -0.0014 -0.0106 791 LYS 93 HA 0.0020 -0.0021 -0.0104 792 LYS 93 HB3 0.0014 -0.0019 -0.0135 793 LYS 93 HB2 0.0027 -0.0010 -0.0134 794 LYS 93 HG3 0.0009 -0.0023 -0.0132 795 LYS 93 HG2 -0.0004 -0.0033 -0.0132 796 LYS 93 HD3 0.0000 -0.0024 -0.0162 797 LYS 93 HD2 0.0015 -0.0014 -0.0162 798 LYS 93 HE3 -0.0002 -0.0026 -0.0161 799 LYS 93 HE2 -0.0016 -0.0037 -0.0159 800 LYS 93 HZ1 -0.0013 -0.0029 -0.0188 801 LYS 93 HZ2 -0.0015 -0.0030 -0.0189 802 LYS 93 HZ3 0.0001 -0.0018 -0.0189 803 CYS 94 N -0.0003 -0.0040 -0.0094 804 CYS 94 CA -0.0016 -0.0051 -0.0088 805 CYS 94 C -0.0028 -0.0057 -0.0103 806 CYS 94 O -0.0028 -0.0054 -0.0116 807 CYS 94 CB -0.0021 -0.0057 -0.0075 808 CYS 94 SG -0.0007 -0.0049 -0.0061 809 CYS 94 H 0.0000 -0.0038 -0.0092 810 CYS 94 HA -0.0014 -0.0051 -0.0080 811 CYS 94 HB3 -0.0029 -0.0064 -0.0068 812 CYS 94 HB2 -0.0027 -0.0060 -0.0083 813 ARG 95 N 0.0017 0.0010 0.0004 814 ARG 95 CA 0.0006 0.0033 0.0002 815 ARG 95 C -0.0010 0.0045 0.0023 816 ARG 95 O -0.0020 0.0059 0.0028 817 ARG 95 CB 0.0007 0.0049 -0.0021 818 ARG 95 CG 0.0021 0.0040 -0.0043 819 ARG 95 CD 0.0022 0.0057 -0.0066 820 ARG 95 NE 0.0037 0.0046 -0.0086 821 ARG 95 CZ 0.0043 0.0052 -0.0109 822 ARG 95 NH1 0.0036 0.0071 -0.0116 823 ARG 95 NH2 0.0057 0.0038 -0.0123 824 ARG 95 H 0.0023 0.0009 -0.0007 825 ARG 95 HA 0.0007 0.0030 0.0003 826 ARG 95 HB3 -0.0002 0.0065 -0.0021 827 ARG 95 HB2 0.0006 0.0051 -0.0021 828 ARG 95 HG3 0.0031 0.0023 -0.0043 829 ARG 95 HG2 0.0021 0.0039 -0.0042 830 ARG 95 HD3 0.0016 0.0071 -0.0068 831 ARG 95 HD2 0.0018 0.0064 -0.0065 832 ARG 95 HH22 0.0063 0.0043 -0.0141 833 ARG 95 HH21 0.0064 0.0021 -0.0117 834 ARG 95 HH12 0.0042 0.0076 -0.0134 835 ARG 95 HH11 0.0026 0.0081 -0.0105 836 ARG 95 HE 0.0042 0.0034 -0.0083 837 HIS 96 N -0.0012 0.0040 0.0033 838 HIS 96 CA -0.0026 0.0052 0.0051 839 HIS 96 C -0.0025 0.0034 0.0072 840 HIS 96 O -0.0014 0.0015 0.0070 841 HIS 96 CB -0.0029 0.0067 0.0039 842 HIS 96 CG -0.0028 0.0083 0.0017 843 HIS 96 ND1 -0.0038 0.0102 0.0016 844 HIS 96 CD2 -0.0018 0.0083 -0.0007 845 HIS 96 CE1 -0.0034 0.0112 -0.0007 846 HIS 96 NE2 -0.0021 0.0101 -0.0021 847 HIS 96 H -0.0003 0.0027 0.0030 848 HIS 96 HA -0.0034 0.0063 0.0057 849 HIS 96 HB3 -0.0039 0.0076 0.0052 850 HIS 96 HB2 -0.0021 0.0056 0.0035 851 HIS 96 HD1 -0.0047 0.0108 0.0030 852 HIS 96 HD2 -0.0008 0.0071 -0.0014 853 HIS 96 HE1 -0.0039 0.0127 -0.0012 854 LEU 97 N -0.0241 0.0420 -0.0349 855 LEU 97 CA -0.0325 0.0237 -0.0338 856 LEU 97 C -0.0231 -0.0042 -0.0125 857 LEU 97 O -0.0142 -0.0123 -0.0010 858 LEU 97 CB -0.0611 0.0147 -0.0547 859 LEU 97 CG -0.0725 0.0412 -0.0770 860 LEU 97 CD1 -0.1009 0.0303 -0.0967 861 LEU 97 CD2 -0.0651 0.0590 -0.0788 862 LEU 97 H -0.0356 0.0382 -0.0432 863 LEU 97 HA -0.0248 0.0362 -0.0328 864 LEU 97 HB3 -0.0671 -0.0001 -0.0530 865 LEU 97 HB2 -0.0688 0.0014 -0.0552 866 LEU 97 HG -0.0659 0.0564 -0.0782 867 LEU 97 HD11 -0.1093 0.0485 -0.1126 868 LEU 97 HD12 -0.1062 0.0207 -0.0970 869 LEU 97 HD13 -0.1091 0.0132 -0.0960 870 LEU 97 HD21 -0.0810 0.0626 -0.0944 871 LEU 97 HD22 -0.0558 0.0478 -0.0654 872 LEU 97 HD23 -0.0525 0.0809 -0.0779 873 GLY 98 N -0.0248 -0.0178 -0.0077 874 GLY 98 CA -0.0163 -0.0441 0.0120 875 GLY 98 C 0.0113 -0.0351 0.0320 876 GLY 98 O 0.0242 -0.0091 0.0312 877 GLY 98 H -0.0311 -0.0088 -0.0174 878 GLY 98 HA3 -0.0271 -0.0563 0.0082 879 GLY 98 HA2 -0.0194 -0.0589 0.0162 880 CYS 99 N -0.0017 -0.0110 0.0174 881 CYS 99 CA 0.0020 -0.0110 0.0138 882 CYS 99 C 0.0015 -0.0065 0.0115 883 CYS 99 O -0.0014 -0.0045 0.0130 884 CYS 99 CB 0.0039 -0.0147 0.0144 885 CYS 99 SG 0.0046 -0.0203 0.0173 886 CYS 99 H -0.0037 -0.0101 0.0189 887 CYS 99 HA 0.0039 -0.0114 0.0123 888 CYS 99 HB3 0.0067 -0.0147 0.0117 889 CYS 99 HB2 0.0023 -0.0141 0.0156 890 ILE 100 N 0.0044 -0.0052 0.0078 891 ILE 100 CA 0.0045 -0.0012 0.0052 892 ILE 100 C 0.0053 -0.0021 0.0049 893 ILE 100 O 0.0081 -0.0053 0.0043 894 ILE 100 CB 0.0075 0.0004 0.0013 895 ILE 100 CG1 0.0070 0.0009 0.0014 896 ILE 100 CG2 0.0076 0.0047 -0.0016 897 ILE 100 CD1 0.0030 0.0040 0.0033 898 ILE 100 H 0.0069 -0.0072 0.0067 899 ILE 100 HA 0.0017 0.0014 0.0062 900 ILE 100 HB 0.0103 -0.0022 0.0002 901 ILE 100 HG13 0.0091 0.0022 -0.0014 902 ILE 100 HG12 0.0077 -0.0023 0.0028 903 ILE 100 HG21 0.0096 0.0058 -0.0042 904 ILE 100 HG22 0.0086 0.0041 -0.0022 905 ILE 100 HG23 0.0048 0.0073 -0.0006 906 ILE 100 HD11 0.0031 0.0055 0.0023 907 ILE 100 HD12 0.0016 0.0067 0.0030 908 ILE 100 HD13 0.0012 0.0021 0.0063 909 ASN 101 N -0.0006 0.0190 -0.0025 910 ASN 101 CA -0.0075 0.0302 -0.0038 911 ASN 101 C -0.0220 0.0237 -0.0041 912 ASN 101 O -0.0261 0.0106 -0.0033 913 ASN 101 CB 0.0047 0.0364 -0.0036 914 ASN 101 CG 0.0072 0.0276 -0.0028 915 ASN 101 OD1 0.0041 0.0140 -0.0019 916 ASN 101 ND2 0.0124 0.0353 -0.0030 917 ASN 101 H 0.0068 0.0115 -0.0015 918 ASN 101 HA -0.0118 0.0398 -0.0047 919 ASN 101 HB3 0.0156 0.0377 -0.0031 920 ASN 101 HB2 0.0014 0.0479 -0.0046 921 ASN 101 HD22 0.0125 0.0303 -0.0027 922 ASN 101 HD21 0.0147 0.0465 -0.0038 923 ALA 102 N -0.0295 0.0329 -0.0052 924 ALA 102 CA -0.0434 0.0286 -0.0056 925 ALA 102 C -0.0415 0.0151 -0.0045 926 ALA 102 O -0.0523 0.0066 -0.0044 927 ALA 102 CB -0.0494 0.0426 -0.0070 928 ALA 102 H -0.0254 0.0434 -0.0057 929 ALA 102 HA -0.0520 0.0253 -0.0058 930 ALA 102 HB1 -0.0599 0.0398 -0.0074 931 ALA 102 HB2 -0.0518 0.0519 -0.0079 932 ALA 102 HB3 -0.0411 0.0466 -0.0069 933 ASP 103 N 0.0257 -0.0067 0.0230 934 ASP 103 CA 0.0288 -0.0156 0.0236 935 ASP 103 C 0.0236 0.0009 0.0252 936 ASP 103 O 0.0256 -0.0040 0.0267 937 ASP 103 CB 0.0293 -0.0305 0.0043 938 ASP 103 CG 0.0326 -0.0454 -0.0031 939 ASP 103 OD1 0.0382 -0.0530 0.0103 940 ASP 103 OD2 0.0296 -0.0497 -0.0224 941 ASP 103 H 0.0226 -0.0075 0.0087 942 ASP 103 HA 0.0349 -0.0242 0.0375 943 ASP 103 HB3 0.0332 -0.0397 0.0078 944 ASP 103 HB2 0.0233 -0.0218 -0.0089 945 GLY 104 N 0.0168 0.0202 0.0238 946 GLY 104 CA 0.0110 0.0377 0.0238 947 GLY 104 C 0.0054 0.0395 0.0023 948 GLY 104 O 0.0011 0.0513 0.0005 949 GLY 104 H 0.0155 0.0231 0.0220 950 GLY 104 HA3 0.0141 0.0366 0.0356 951 GLY 104 HA2 0.0074 0.0514 0.0280 952 ASN 105 N -0.0101 0.0267 -0.0194 953 ASN 105 CA -0.0173 0.0270 -0.0118 954 ASN 105 C -0.0101 0.0168 -0.0020 955 ASN 105 O -0.0023 0.0100 0.0010 956 ASN 105 CB -0.0307 0.0317 -0.0046 957 ASN 105 CG -0.0398 0.0426 -0.0133 958 ASN 105 OD1 -0.0507 0.0475 -0.0095 959 ASN 105 ND2 -0.0358 0.0467 -0.0250 960 ASN 105 H -0.0107 0.0242 -0.0144 961 ASN 105 HA -0.0180 0.0314 -0.0186 962 ASN 105 HB3 -0.0351 0.0301 0.0032 963 ASN 105 HB2 -0.0305 0.0287 0.0005 964 ASN 105 HD22 -0.0420 0.0538 -0.0304 965 ASN 105 HD21 -0.0270 0.0427 -0.0281 966 VAL 106 N -0.0128 0.0158 0.0029 967 VAL 106 CA -0.0071 0.0064 0.0128 968 VAL 106 C -0.0149 0.0037 0.0265 969 VAL 106 O -0.0259 0.0083 0.0309 970 VAL 106 CB -0.0069 0.0063 0.0128 971 VAL 106 CG1 -0.0010 -0.0035 0.0233 972 VAL 106 CG2 0.0002 0.0094 -0.0008 973 VAL 106 H -0.0199 0.0215 0.0010 974 VAL 106 HA 0.0026 0.0011 0.0109 975 VAL 106 HB -0.0166 0.0114 0.0149 976 VAL 106 HG11 -0.0001 -0.0036 0.0225 977 VAL 106 HG12 -0.0069 -0.0054 0.0333 978 VAL 106 HG13 0.0084 -0.0092 0.0224 979 VAL 106 HG21 -0.0003 0.0098 -0.0009 980 VAL 106 HG22 0.0103 0.0043 -0.0033 981 VAL 106 HG23 -0.0037 0.0164 -0.0086 982 ASP 107 N -0.0098 -0.0239 0.0389 983 ASP 107 CA -0.0053 -0.0178 0.0274 984 ASP 107 C -0.0059 -0.0120 0.0208 985 ASP 107 O -0.0151 -0.0071 0.0230 986 ASP 107 CB -0.0121 -0.0110 0.0251 987 ASP 107 CG -0.0088 -0.0035 0.0130 988 ASP 107 OD1 0.0011 -0.0053 0.0064 989 ASP 107 OD2 -0.0159 0.0037 0.0105 990 ASP 107 H -0.0185 -0.0206 0.0426 991 ASP 107 HA 0.0036 -0.0224 0.0252 992 ASP 107 HB3 -0.0212 -0.0072 0.0286 993 ASP 107 HB2 -0.0109 -0.0153 0.0293 994 TYR 108 N 0.0039 -0.0128 0.0131 995 TYR 108 CA 0.0051 -0.0079 0.0061 996 TYR 108 C 0.0038 0.0019 -0.0048 997 TYR 108 O 0.0032 0.0070 -0.0106 998 TYR 108 CB 0.0167 -0.0148 0.0042 999 TYR 108 CG 0.0274 -0.0178 -0.0016 1000 TYR 108 CD1 0.0325 -0.0265 0.0045 1001 TYR 108 CD2 0.0321 -0.0118 -0.0131 1002 TYR 108 CE1 0.0421 -0.0290 -0.0010 1003 TYR 108 CE2 0.0417 -0.0144 -0.0185 1004 TYR 108 CZ 0.0466 -0.0229 -0.0125 1005 TYR 108 OH 0.0554 -0.0250 -0.0177 1006 TYR 108 H 0.0107 -0.0163 0.0113 1007 TYR 108 HA -0.0016 -0.0064 0.0102 1008 TYR 108 HB3 0.0169 -0.0213 0.0121 1009 TYR 108 HB2 0.0174 -0.0114 -0.0005 1010 TYR 108 HD1 0.0290 -0.0312 0.0133 1011 TYR 108 HD2 0.0283 -0.0052 -0.0179 1012 TYR 108 HE1 0.0459 -0.0356 0.0037 1013 TYR 108 HE2 0.0450 -0.0096 -0.0273 1014 TYR 108 HH 0.0548 -0.0192 -0.0243 1015 HIS 109 N 0.0144 0.0023 0.0253 1016 HIS 109 CA 0.0147 0.0064 0.0247 1017 HIS 109 C 0.0115 0.0040 0.0227 1018 HIS 109 O 0.0126 0.0054 0.0233 1019 HIS 109 CB 0.0135 0.0125 0.0224 1020 HIS 109 CG 0.0164 0.0154 0.0241 1021 HIS 109 ND1 0.0149 0.0148 0.0231 1022 HIS 109 CD2 0.0208 0.0189 0.0267 1023 HIS 109 CE1 0.0183 0.0178 0.0250 1024 HIS 109 NE2 0.0220 0.0204 0.0273 1025 HIS 109 H 0.0122 0.0033 0.0234 1026 HIS 109 HA 0.0184 0.0070 0.0274 1027 HIS 109 HB3 0.0139 0.0156 0.0221 1028 HIS 109 HB2 0.0097 0.0122 0.0196 1029 HIS 109 HD1 0.0118 0.0122 0.0212 1030 HIS 109 HD2 0.0232 0.0205 0.0282 1031 HIS 109 HE1 0.0181 0.0180 0.0248 1032 MET 110 N 0.0075 0.0003 0.0205 1033 MET 110 CA 0.0042 -0.0029 0.0187 1034 MET 110 C 0.0056 -0.0092 0.0210 1035 MET 110 O 0.0086 -0.0111 0.0237 1036 MET 110 CB -0.0009 -0.0030 0.0147 1037 MET 110 CG -0.0025 0.0032 0.0122 1038 MET 110 SD -0.0032 0.0068 0.0110 1039 MET 110 CE -0.0089 0.0028 0.0074 1040 MET 110 H 0.0068 -0.0006 0.0201 1041 MET 110 HA 0.0045 -0.0007 0.0184 1042 MET 110 HB3 -0.0034 -0.0058 0.0134 1043 MET 110 HB2 -0.0013 -0.0052 0.0149 1044 MET 110 HG3 -0.0059 0.0029 0.0096 1045 MET 110 HG2 0.0000 0.0061 0.0135 1046 MET 110 HE1 -0.0102 0.0046 0.0061 1047 MET 110 HE2 -0.0116 0.0034 0.0052 1048 MET 110 HE3 -0.0087 -0.0019 0.0085 1049 ASN 111 N -0.0031 -0.0105 0.0168 1050 ASN 111 CA -0.0018 -0.0086 0.0146 1051 ASN 111 C 0.0015 -0.0072 0.0143 1052 ASN 111 O 0.0036 -0.0078 0.0165 1053 ASN 111 CB -0.0013 -0.0089 0.0154 1054 ASN 111 CG -0.0044 -0.0101 0.0154 1055 ASN 111 OD1 -0.0040 -0.0106 0.0164 1056 ASN 111 ND2 -0.0073 -0.0105 0.0145 1057 ASN 111 H -0.0016 -0.0112 0.0187 1058 ASN 111 HA -0.0035 -0.0078 0.0125 1059 ASN 111 HB3 -0.0001 -0.0074 0.0138 1060 ASN 111 HB2 0.0003 -0.0097 0.0174 1061 ASN 111 HD22 -0.0093 -0.0114 0.0146 1062 ASN 111 HD21 -0.0076 -0.0102 0.0139 1063 SER 112 N 0.0019 -0.0053 0.0116 1064 SER 112 CA 0.0051 -0.0036 0.0109 1065 SER 112 C 0.0068 -0.0029 0.0108 1066 SER 112 O 0.0054 -0.0023 0.0090 1067 SER 112 CB 0.0048 -0.0018 0.0079 1068 SER 112 OG 0.0042 -0.0020 0.0080 1069 SER 112 H 0.0001 -0.0048 0.0099 1070 SER 112 HA 0.0067 -0.0041 0.0125 1071 SER 112 HB3 0.0070 -0.0004 0.0070 1072 SER 112 HB2 0.0028 -0.0015 0.0064 1073 SER 112 HG 0.0018 -0.0028 0.0078 1074 VAL 113 N -0.0017 -0.0030 0.0055 1075 VAL 113 CA 0.0009 -0.0027 0.0057 1076 VAL 113 C 0.0023 -0.0028 0.0049 1077 VAL 113 O 0.0014 -0.0028 0.0053 1078 VAL 113 CB 0.0015 -0.0019 0.0083 1079 VAL 113 CG1 0.0006 -0.0017 0.0091 1080 VAL 113 CG2 0.0007 -0.0014 0.0101 1081 VAL 113 H -0.0025 -0.0029 0.0063 1082 VAL 113 HA 0.0014 -0.0030 0.0047 1083 VAL 113 HB 0.0035 -0.0016 0.0084 1084 VAL 113 HG11 0.0011 -0.0011 0.0109 1085 VAL 113 HG12 0.0013 -0.0020 0.0079 1086 VAL 113 HG13 -0.0014 -0.0020 0.0090 1087 VAL 113 HG21 0.0012 -0.0008 0.0119 1088 VAL 113 HG22 -0.0013 -0.0016 0.0101 1089 VAL 113 HG23 0.0016 -0.0014 0.0098 1090 PRO 114 N 0.0045 -0.0030 0.0037 1091 PRO 114 CA 0.0060 -0.0030 0.0029 1092 PRO 114 C 0.0074 -0.0023 0.0050 1093 PRO 114 O 0.0084 -0.0017 0.0064 1094 PRO 114 CB 0.0078 -0.0034 0.0011 1095 PRO 114 CG 0.0080 -0.0032 0.0018 1096 PRO 114 CD 0.0055 -0.0031 0.0029 1097 PRO 114 HA 0.0050 -0.0034 0.0021 1098 PRO 114 HB3 0.0070 -0.0040 -0.0007 1099 PRO 114 HB2 0.0096 -0.0033 0.0009 1100 PRO 114 HG3 0.0086 -0.0035 0.0004 1101 PRO 114 HG2 0.0094 -0.0026 0.0032 1102 PRO 114 HD2 0.0056 -0.0027 0.0043 1103 PRO 114 HD3 0.0043 -0.0036 0.0015 1104 ILE 115 N 0.0050 0.0011 -0.0002 1105 ILE 115 CA 0.0034 0.0019 -0.0011 1106 ILE 115 C 0.0022 0.0013 -0.0004 1107 ILE 115 O 0.0014 0.0005 0.0007 1108 ILE 115 CB 0.0023 0.0020 -0.0013 1109 ILE 115 CG1 0.0035 0.0026 -0.0021 1110 ILE 115 CG2 0.0005 0.0027 -0.0021 1111 ILE 115 CD1 0.0028 0.0025 -0.0019 1112 ILE 115 H 0.0048 0.0004 0.0007 1113 ILE 115 HA 0.0039 0.0027 -0.0022 1114 ILE 115 HB 0.0019 0.0012 -0.0002 1115 ILE 115 HG13 0.0049 0.0022 -0.0016 1116 ILE 115 HG12 0.0037 0.0035 -0.0032 1117 ILE 115 HG21 -0.0002 0.0029 -0.0023 1118 ILE 115 HG22 -0.0005 0.0023 -0.0016 1119 ILE 115 HG23 0.0007 0.0036 -0.0032 1120 ILE 115 HD11 0.0029 0.0033 -0.0029 1121 ILE 115 HD12 0.0036 0.0018 -0.0011 1122 ILE 115 HD13 0.0013 0.0022 -0.0015 1123 GLN 116 N 0.0022 0.0019 -0.0011 1124 GLN 116 CA 0.0011 0.0016 -0.0007 1125 GLN 116 C -0.0006 0.0023 -0.0016 1126 GLN 116 O -0.0005 0.0034 -0.0029 1127 GLN 116 CB 0.0023 0.0017 -0.0009 1128 GLN 116 CG 0.0040 0.0010 -0.0000 1129 GLN 116 CD 0.0046 0.0006 0.0004 1130 GLN 116 OE1 0.0050 0.0014 -0.0006 1131 GLN 116 NE2 0.0046 -0.0005 0.0018 1132 GLN 116 H 0.0029 0.0026 -0.0021 1133 GLN 116 HA 0.0008 0.0007 0.0005 1134 GLN 116 HB3 0.0014 0.0015 -0.0006 1135 GLN 116 HB2 0.0026 0.0026 -0.0020 1136 GLN 116 HG3 0.0052 0.0014 -0.0006 1137 GLN 116 HG2 0.0038 0.0002 0.0010 1138 GLN 116 HE22 0.0049 -0.0007 0.0021 1139 GLN 116 HE21 0.0043 -0.0011 0.0025 1140 GLN 117 N -0.0034 0.0044 -0.0001 1141 GLN 117 CA -0.0042 0.0040 -0.0009 1142 GLN 117 C -0.0035 0.0026 -0.0001 1143 GLN 117 O -0.0030 0.0012 0.0005 1144 GLN 117 CB -0.0057 0.0033 -0.0021 1145 GLN 117 CG -0.0069 0.0027 -0.0030 1146 GLN 117 CD -0.0070 0.0042 -0.0033 1147 GLN 117 OE1 -0.0074 0.0057 -0.0038 1148 GLN 117 NE2 -0.0067 0.0037 -0.0030 1149 GLN 117 H -0.0032 0.0033 0.0001 1150 GLN 117 HA -0.0043 0.0053 -0.0011 1151 GLN 117 HB3 -0.0056 0.0021 -0.0019 1152 GLN 117 HB2 -0.0062 0.0044 -0.0026 1153 GLN 117 HG3 -0.0066 0.0013 -0.0027 1154 GLN 117 HG2 -0.0079 0.0024 -0.0039 1155 GLN 117 HE22 -0.0069 0.0046 -0.0032 1156 GLN 117 HE21 -0.0064 0.0024 -0.0026 1157 GLU 118 N -0.0034 0.0029 -0.0000 1158 GLU 118 CA -0.0030 0.0014 0.0004 1159 GLU 118 C -0.0042 -0.0002 -0.0005 1160 GLU 118 O -0.0055 0.0002 -0.0016 1161 GLU 118 CB -0.0029 0.0022 0.0005 1162 GLU 118 CG -0.0016 0.0036 0.0015 1163 GLU 118 CD -0.0012 0.0038 0.0018 1164 GLU 118 OE1 -0.0022 0.0033 0.0010 1165 GLU 118 OE2 0.0000 0.0043 0.0028 1166 GLU 118 H -0.0039 0.0040 -0.0006 1167 GLU 118 HA -0.0020 0.0009 0.0014 1168 GLU 118 HB3 -0.0028 0.0010 0.0007 1169 GLU 118 HB2 -0.0039 0.0029 -0.0004 1170 GLU 118 HG3 -0.0017 0.0050 0.0012 1171 GLU 118 HG2 -0.0006 0.0031 0.0024 1172 ILE 119 N -0.0041 -0.0008 0.0034 1173 ILE 119 CA -0.0036 -0.0013 0.0022 1174 ILE 119 C -0.0017 -0.0015 0.0019 1175 ILE 119 O -0.0009 -0.0016 0.0017 1176 ILE 119 CB -0.0047 -0.0020 0.0007 1177 ILE 119 CG1 -0.0067 -0.0019 0.0009 1178 ILE 119 CG2 -0.0040 -0.0027 -0.0009 1179 ILE 119 CD1 -0.0070 -0.0018 0.0011 1180 ILE 119 H -0.0037 -0.0009 0.0031 1181 ILE 119 HA -0.0039 -0.0011 0.0027 1182 ILE 119 HB -0.0048 -0.0021 0.0004 1183 ILE 119 HG13 -0.0075 -0.0023 -0.0001 1184 ILE 119 HG12 -0.0072 -0.0014 0.0019 1185 ILE 119 HG21 -0.0049 -0.0031 -0.0019 1186 ILE 119 HG22 -0.0028 -0.0029 -0.0012 1187 ILE 119 HG23 -0.0038 -0.0026 -0.0007 1188 ILE 119 HD11 -0.0083 -0.0016 0.0015 1189 ILE 119 HD12 -0.0067 -0.0023 0.0000 1190 ILE 119 HD13 -0.0062 -0.0013 0.0021 1191 LEU 120 N -0.0008 -0.0015 0.0018 1192 LEU 120 CA 0.0010 -0.0018 0.0013 1193 LEU 120 C 0.0010 -0.0026 -0.0005 1194 LEU 120 O -0.0002 -0.0028 -0.0012 1195 LEU 120 CB 0.0019 -0.0014 0.0022 1196 LEU 120 CG 0.0022 -0.0006 0.0040 1197 LEU 120 CD1 0.0029 -0.0002 0.0048 1198 LEU 120 CD2 0.0034 -0.0004 0.0044 1199 LEU 120 H -0.0015 -0.0015 0.0019 1200 LEU 120 HA 0.0017 -0.0016 0.0016 1201 LEU 120 HB3 0.0032 -0.0016 0.0016 1202 LEU 120 HB2 0.0011 -0.0015 0.0020 1203 LEU 120 HG 0.0009 -0.0003 0.0045 1204 LEU 120 HD11 0.0020 0.0002 0.0058 1205 LEU 120 HD12 0.0029 -0.0006 0.0040 1206 LEU 120 HD13 0.0042 -0.0000 0.0053 1207 LEU 120 HD21 0.0043 -0.0000 0.0053 1208 LEU 120 HD22 0.0041 -0.0009 0.0033 1209 LEU 120 HD23 0.0026 -0.0002 0.0048 1210 VAL 121 N 0.0021 0.0014 0.0009 1211 VAL 121 CA 0.0021 0.0011 0.0005 1212 VAL 121 C 0.0028 0.0015 0.0003 1213 VAL 121 O 0.0032 0.0019 0.0004 1214 VAL 121 CB 0.0021 0.0006 -0.0001 1215 VAL 121 CG1 0.0015 0.0002 0.0000 1216 VAL 121 CG2 0.0026 0.0007 -0.0004 1217 VAL 121 H 0.0024 0.0017 0.0009 1218 VAL 121 HA 0.0018 0.0009 0.0006 1219 VAL 121 HB 0.0022 0.0003 -0.0004 1220 VAL 121 HG11 0.0015 -0.0002 -0.0004 1221 VAL 121 HG12 0.0011 0.0000 0.0002 1222 VAL 121 HG13 0.0014 0.0004 0.0004 1223 VAL 121 HG21 0.0026 0.0003 -0.0008 1224 VAL 121 HG22 0.0026 0.0009 -0.0001 1225 VAL 121 HG23 0.0031 0.0009 -0.0006 1226 LEU 122 N 0.0029 0.0013 0.0001 1227 LEU 122 CA 0.0035 0.0016 -0.0002 1228 LEU 122 C 0.0038 0.0012 -0.0009 1229 LEU 122 O 0.0035 0.0007 -0.0011 1230 LEU 122 CB 0.0034 0.0016 -0.0001 1231 LEU 122 CG 0.0031 0.0019 0.0005 1232 LEU 122 CD1 0.0030 0.0019 0.0006 1233 LEU 122 CD2 0.0035 0.0025 0.0009 1234 LEU 122 H 0.0025 0.0010 -0.0000 1235 LEU 122 HA 0.0038 0.0020 0.0000 1236 LEU 122 HB3 0.0038 0.0017 -0.0003 1237 LEU 122 HB2 0.0031 0.0012 -0.0003 1238 LEU 122 HG 0.0026 0.0017 0.0008 1239 LEU 122 HD11 0.0026 0.0019 0.0010 1240 LEU 122 HD12 0.0029 0.0015 0.0002 1241 LEU 122 HD13 0.0034 0.0022 0.0005 1242 LEU 122 HD21 0.0033 0.0028 0.0013 1243 LEU 122 HD22 0.0040 0.0027 0.0006 1244 LEU 122 HD23 0.0034 0.0026 0.0010 1245 ARG 123 N 0.0067 0.0049 0.0022 1246 ARG 123 CA 0.0064 0.0053 0.0017 1247 ARG 123 C 0.0060 0.0064 0.0018 1248 ARG 123 O 0.0058 0.0068 0.0017 1249 ARG 123 CB 0.0062 0.0048 0.0006 1250 ARG 123 CG 0.0059 0.0052 0.0000 1251 ARG 123 CD 0.0058 0.0045 -0.0010 1252 ARG 123 NE 0.0063 0.0035 -0.0008 1253 ARG 123 CZ 0.0066 0.0030 -0.0003 1254 ARG 123 NH1 0.0065 0.0035 0.0001 1255 ARG 123 NH2 0.0070 0.0020 -0.0002 1256 ARG 123 H 0.0065 0.0052 0.0019 1257 ARG 123 HA 0.0066 0.0050 0.0021 1258 ARG 123 HB3 0.0060 0.0050 0.0001 1259 ARG 123 HB2 0.0065 0.0040 0.0005 1260 ARG 123 HG3 0.0060 0.0053 0.0005 1261 ARG 123 HG2 0.0055 0.0059 -0.0002 1262 ARG 123 HD3 0.0057 0.0048 -0.0012 1263 ARG 123 HD2 0.0056 0.0046 -0.0016 1264 ARG 123 HH22 0.0072 0.0017 0.0002 1265 ARG 123 HH21 0.0071 0.0016 -0.0005 1266 ARG 123 HH12 0.0068 0.0031 0.0004 1267 ARG 123 HH11 0.0063 0.0042 0.0001 1268 ARG 123 HE 0.0064 0.0031 -0.0010 1269 ARG 124 N 0.0058 0.0069 0.0019 1270 ARG 124 CA 0.0055 0.0080 0.0020 1271 ARG 124 C 0.0050 0.0084 0.0010 1272 ARG 124 O 0.0049 0.0080 0.0002 1273 ARG 124 CB 0.0054 0.0083 0.0023 1274 ARG 124 CG 0.0059 0.0079 0.0033 1275 ARG 124 CD 0.0058 0.0082 0.0035 1276 ARG 124 NE 0.0063 0.0077 0.0044 1277 ARG 124 CZ 0.0066 0.0078 0.0053 1278 ARG 124 NH1 0.0064 0.0085 0.0057 1279 ARG 124 NH2 0.0070 0.0071 0.0059 1280 ARG 124 H 0.0060 0.0065 0.0020 1281 ARG 124 HA 0.0055 0.0083 0.0026 1282 ARG 124 HB3 0.0051 0.0091 0.0023 1283 ARG 124 HB2 0.0053 0.0080 0.0016 1284 ARG 124 HG3 0.0062 0.0071 0.0033 1285 ARG 124 HG2 0.0059 0.0083 0.0039 1286 ARG 124 HD3 0.0056 0.0090 0.0038 1287 ARG 124 HD2 0.0057 0.0081 0.0029 1288 ARG 124 HH22 0.0072 0.0072 0.0067 1289 ARG 124 HH21 0.0071 0.0066 0.0056 1290 ARG 124 HH12 0.0066 0.0086 0.0065 1291 ARG 124 HH11 0.0061 0.0090 0.0053 1292 ARG 124 HE 0.0064 0.0072 0.0041 1293 GLU 125 N 0.0010 0.0116 0.0017 1294 GLU 125 CA -0.0020 0.0101 0.0013 1295 GLU 125 C -0.0064 0.0078 0.0025 1296 GLU 125 O -0.0081 0.0069 -0.0005 1297 GLU 125 CB -0.0017 0.0102 -0.0037 1298 GLU 125 CG -0.0052 0.0084 -0.0047 1299 GLU 125 CD -0.0046 0.0088 -0.0093 1300 GLU 125 OE1 -0.0017 0.0103 -0.0094 1301 GLU 125 OE2 -0.0070 0.0076 -0.0128 1302 GLU 125 H -0.0003 0.0109 0.0007 1303 GLU 125 HA -0.0011 0.0105 0.0039 1304 GLU 125 HB3 -0.0019 0.0102 -0.0064 1305 GLU 125 HB2 0.0014 0.0118 -0.0041 1306 GLU 125 HG3 -0.0054 0.0083 -0.0018 1307 GLU 125 HG2 -0.0083 0.0068 -0.0050 1308 PRO 126 N -0.0084 0.0067 0.0066 1309 PRO 126 CA -0.0066 0.0076 0.0106 1310 PRO 126 C -0.0029 0.0095 0.0132 1311 PRO 126 O -0.0022 0.0099 0.0125 1312 PRO 126 CB -0.0105 0.0056 0.0139 1313 PRO 126 CG -0.0133 0.0042 0.0130 1314 PRO 126 CD -0.0127 0.0045 0.0077 1315 PRO 126 HA -0.0056 0.0082 0.0092 1316 PRO 126 HB3 -0.0122 0.0047 0.0128 1317 PRO 126 HB2 -0.0097 0.0060 0.0176 1318 PRO 126 HG3 -0.0166 0.0025 0.0140 1319 PRO 126 HG2 -0.0120 0.0048 0.0151 1320 PRO 126 HD2 -0.0132 0.0043 0.0070 1321 PRO 126 HD3 -0.0149 0.0034 0.0056 1322 PRO 127 N -0.0048 0.0059 0.0084 1323 PRO 127 CA 0.0004 0.0074 0.0136 1324 PRO 127 C -0.0028 0.0048 0.0180 1325 PRO 127 O -0.0087 0.0014 0.0204 1326 PRO 127 CB 0.0036 0.0078 0.0192 1327 PRO 127 CG 0.0029 0.0085 0.0146 1328 PRO 127 CD -0.0041 0.0059 0.0097 1329 PRO 127 HA 0.0044 0.0102 0.0101 1330 PRO 127 HB3 0.0090 0.0101 0.0214 1331 PRO 127 HB2 0.0005 0.0052 0.0242 1332 PRO 127 HG3 0.0072 0.0114 0.0108 1333 PRO 127 HG2 0.0031 0.0078 0.0182 1334 PRO 127 HD2 -0.0084 0.0031 0.0129 1335 PRO 127 HD3 -0.0041 0.0070 0.0044 1336 HIS 128 N 0.0009 0.0066 0.0186 1337 HIS 128 CA -0.0008 0.0049 0.0225 1338 HIS 128 C -0.0070 0.0027 0.0184 1339 HIS 128 O -0.0086 0.0013 0.0211 1340 HIS 128 CB -0.0020 0.0025 0.0312 1341 HIS 128 CG 0.0033 0.0043 0.0356 1342 HIS 128 ND1 0.0105 0.0081 0.0348 1343 HIS 128 CD2 0.0025 0.0028 0.0407 1344 HIS 128 CE1 0.0135 0.0087 0.0392 1345 HIS 128 NE2 0.0090 0.0056 0.0430 1346 HIS 128 H 0.0059 0.0095 0.0169 1347 HIS 128 HA 0.0038 0.0073 0.0224 1348 HIS 128 HB3 -0.0019 0.0019 0.0342 1349 HIS 128 HB2 -0.0072 -0.0002 0.0316 1350 HIS 128 HD1 0.0130 0.0102 0.0310 1351 HIS 128 HD2 -0.0023 -0.0001 0.0428 1352 HIS 128 HE1 0.0191 0.0115 0.0396 1353 SER 129 N -0.0001 0.0082 0.0133 1354 SER 129 CA -0.0019 0.0054 0.0093 1355 SER 129 C -0.0004 0.0075 0.0054 1356 SER 129 O 0.0016 0.0106 0.0033 1357 SER 129 CB -0.0030 0.0036 0.0068 1358 SER 129 OG -0.0047 0.0007 0.0031 1359 SER 129 H 0.0001 0.0085 0.0141 1360 SER 129 HA -0.0036 0.0028 0.0110 1361 SER 129 HB3 -0.0014 0.0060 0.0053 1362 SER 129 HB2 -0.0041 0.0019 0.0095 1363 SER 129 HG -0.0055 -0.0005 0.0017 1364 PRO 130 N -0.0014 0.0059 0.0045 1365 PRO 130 CA -0.0003 0.0075 0.0004 1366 PRO 130 C -0.0004 0.0072 -0.0047 1367 PRO 130 O 0.0014 0.0099 -0.0076 1368 PRO 130 CB -0.0020 0.0049 0.0006 1369 PRO 130 CG -0.0032 0.0033 0.0058 1370 PRO 130 CD -0.0036 0.0027 0.0071 1371 PRO 130 HA 0.0017 0.0107 0.0013 1372 PRO 130 HB3 -0.0009 0.0066 -0.0003 1373 PRO 130 HB2 -0.0037 0.0023 -0.0019 1374 PRO 130 HG3 -0.0017 0.0056 0.0082 1375 PRO 130 HG2 -0.0050 0.0005 0.0062 1376 PRO 130 HD2 -0.0055 -0.0003 0.0058 1377 PRO 130 HD3 -0.0035 0.0029 0.0111 1378 ASN 131 N -0.0015 0.0081 -0.0063 1379 ASN 131 CA -0.0017 0.0073 -0.0086 1380 ASN 131 C -0.0019 0.0067 -0.0082 1381 ASN 131 O -0.0022 0.0057 -0.0099 1382 ASN 131 CB -0.0023 0.0050 -0.0098 1383 ASN 131 CG -0.0030 0.0026 -0.0083 1384 ASN 131 OD1 -0.0029 0.0026 -0.0060 1385 ASN 131 ND2 -0.0035 0.0005 -0.0095 1386 ASN 131 H -0.0018 0.0069 -0.0048 1387 ASN 131 HA -0.0014 0.0088 -0.0100 1388 ASN 131 HB3 -0.0022 0.0055 -0.0102 1389 ASN 131 HB2 -0.0025 0.0047 -0.0117 1390 ASN 131 HD22 -0.0039 -0.0011 -0.0085 1391 ASN 131 HD21 -0.0036 0.0004 -0.0114 1392 SER 132 N -0.0017 0.0074 -0.0060 1393 SER 132 CA -0.0018 0.0071 -0.0055 1394 SER 132 C -0.0011 0.0094 -0.0043 1395 SER 132 O -0.0009 0.0103 -0.0024 1396 SER 132 CB -0.0024 0.0046 -0.0041 1397 SER 132 OG -0.0024 0.0046 -0.0015 1398 SER 132 H -0.0014 0.0082 -0.0045 1399 SER 132 HA -0.0018 0.0068 -0.0073 1400 SER 132 HB3 -0.0028 0.0031 -0.0051 1401 SER 132 HB2 -0.0025 0.0042 -0.0041 1402 SER 132 HG -0.0021 0.0055 -0.0005 1403 PHE 133 N 0.0018 0.0064 -0.0031 1404 PHE 133 CA 0.0018 0.0068 -0.0030 1405 PHE 133 C 0.0016 0.0063 -0.0030 1406 PHE 133 O 0.0016 0.0057 -0.0033 1407 PHE 133 CB 0.0023 0.0073 -0.0034 1408 PHE 133 CG 0.0025 0.0078 -0.0035 1409 PHE 133 CD1 0.0027 0.0077 -0.0038 1410 PHE 133 CD2 0.0025 0.0085 -0.0031 1411 PHE 133 CE1 0.0029 0.0081 -0.0038 1412 PHE 133 CE2 0.0027 0.0090 -0.0031 1413 PHE 133 CZ 0.0029 0.0088 -0.0035 1414 PHE 133 H 0.0019 0.0061 -0.0035 1415 PHE 133 HA 0.0016 0.0071 -0.0025 1416 PHE 133 HB3 0.0023 0.0075 -0.0033 1417 PHE 133 HB2 0.0025 0.0069 -0.0039 1418 PHE 133 HD1 0.0027 0.0071 -0.0040 1419 PHE 133 HD2 0.0024 0.0086 -0.0029 1420 PHE 133 HE1 0.0030 0.0080 -0.0040 1421 PHE 133 HE2 0.0027 0.0095 -0.0029 1422 PHE 133 HZ 0.0030 0.0092 -0.0035 1423 ARG 134 N 0.0016 0.0066 -0.0027 1424 ARG 134 CA 0.0016 0.0063 -0.0029 1425 ARG 134 C 0.0019 0.0068 -0.0031 1426 ARG 134 O 0.0020 0.0074 -0.0029 1427 ARG 134 CB 0.0011 0.0061 -0.0024 1428 ARG 134 CG 0.0010 0.0057 -0.0025 1429 ARG 134 CD 0.0006 0.0056 -0.0019 1430 ARG 134 NE 0.0002 0.0051 -0.0016 1431 ARG 134 CZ -0.0001 0.0045 -0.0016 1432 ARG 134 NH1 0.0001 0.0042 -0.0019 1433 ARG 134 NH2 -0.0004 0.0042 -0.0012 1434 ARG 134 H 0.0016 0.0071 -0.0025 1435 ARG 134 HA 0.0017 0.0058 -0.0033 1436 ARG 134 HB3 0.0010 0.0065 -0.0020 1437 ARG 134 HB2 0.0008 0.0057 -0.0022 1438 ARG 134 HG3 0.0010 0.0052 -0.0027 1439 ARG 134 HG2 0.0013 0.0059 -0.0028 1440 ARG 134 HD3 0.0006 0.0056 -0.0020 1441 ARG 134 HD2 0.0005 0.0061 -0.0016 1442 ARG 134 HH22 -0.0007 0.0038 -0.0011 1443 ARG 134 HH21 -0.0005 0.0044 -0.0010 1444 ARG 134 HH12 -0.0001 0.0037 -0.0019 1445 ARG 134 HH11 0.0004 0.0044 -0.0022 1446 ARG 134 HE 0.0001 0.0053 -0.0014 1447 LEU 135 N 0.0035 0.0015 0.0010 1448 LEU 135 CA 0.0037 0.0015 0.0009 1449 LEU 135 C 0.0036 0.0015 0.0009 1450 LEU 135 O 0.0034 0.0014 0.0008 1451 LEU 135 CB 0.0038 0.0013 0.0007 1452 LEU 135 CG 0.0039 0.0013 0.0007 1453 LEU 135 CD1 0.0040 0.0011 0.0006 1454 LEU 135 CD2 0.0042 0.0014 0.0008 1455 LEU 135 H 0.0034 0.0015 0.0009 1456 LEU 135 HA 0.0038 0.0016 0.0010 1457 LEU 135 HB3 0.0039 0.0012 0.0007 1458 LEU 135 HB2 0.0036 0.0012 0.0006 1459 LEU 135 HG 0.0038 0.0014 0.0008 1460 LEU 135 HD11 0.0040 0.0011 0.0006 1461 LEU 135 HD12 0.0038 0.0011 0.0005 1462 LEU 135 HD13 0.0041 0.0011 0.0005 1463 LEU 135 HD21 0.0042 0.0015 0.0009 1464 LEU 135 HD22 0.0043 0.0013 0.0007 1465 LEU 135 HD23 0.0042 0.0015 0.0009 1466 GLU 136 N 0.0037 0.0015 0.0009 1467 GLU 136 CA 0.0037 0.0015 0.0009 1468 GLU 136 C 0.0040 0.0014 0.0008 1469 GLU 136 O 0.0042 0.0014 0.0009 1470 GLU 136 CB 0.0037 0.0016 0.0010 1471 GLU 136 CG 0.0034 0.0017 0.0011 1472 GLU 136 CD 0.0033 0.0018 0.0012 1473 GLU 136 OE1 0.0034 0.0019 0.0013 1474 GLU 136 OE2 0.0031 0.0018 0.0012 1475 GLU 136 H 0.0039 0.0016 0.0010 1476 GLU 136 HA 0.0036 0.0014 0.0008 1477 GLU 136 HB3 0.0037 0.0016 0.0010 1478 GLU 136 HB2 0.0038 0.0017 0.0011 1479 GLU 136 HG3 0.0034 0.0018 0.0012 1480 GLU 136 HG2 0.0033 0.0016 0.0010 1481 LYS 137 N 0.0005 -0.0038 0.0043 1482 LYS 137 CA -0.0001 -0.0037 0.0046 1483 LYS 137 C -0.0002 -0.0040 0.0043 1484 LYS 137 O 0.0002 -0.0040 0.0042 1485 LYS 137 CB -0.0000 -0.0032 0.0051 1486 LYS 137 CG -0.0007 -0.0032 0.0053 1487 LYS 137 CD -0.0006 -0.0028 0.0057 1488 LYS 137 CE -0.0004 -0.0023 0.0062 1489 LYS 137 NZ -0.0004 -0.0019 0.0065 1490 LYS 137 H 0.0009 -0.0036 0.0043 1491 LYS 137 HA -0.0005 -0.0038 0.0046 1492 LYS 137 HB3 0.0003 -0.0031 0.0051 1493 LYS 137 HB2 0.0001 -0.0030 0.0053 1494 LYS 137 HG3 -0.0010 -0.0031 0.0055 1495 LYS 137 HG2 -0.0009 -0.0035 0.0051 1496 LYS 137 HD3 -0.0010 -0.0028 0.0058 1497 LYS 137 HD2 -0.0002 -0.0028 0.0056 1498 LYS 137 HE3 0.0000 -0.0022 0.0061 1499 LYS 137 HE2 -0.0008 -0.0023 0.0063 1500 LYS 137 HZ1 -0.0001 -0.0019 0.0064 1501 LYS 137 HZ2 -0.0009 -0.0020 0.0066 1502 LYS 137 HZ3 -0.0004 -0.0016 0.0068 1503 ILE 138 N -0.0007 -0.0043 0.0042 1504 ILE 138 CA -0.0009 -0.0046 0.0039 1505 ILE 138 C -0.0016 -0.0045 0.0042 1506 ILE 138 O -0.0018 -0.0043 0.0046 1507 ILE 138 CB -0.0010 -0.0051 0.0034 1508 ILE 138 CG1 -0.0015 -0.0053 0.0034 1509 ILE 138 CG2 -0.0004 -0.0052 0.0031 1510 ILE 138 CD1 -0.0017 -0.0058 0.0030 1511 ILE 138 H -0.0011 -0.0043 0.0043 1512 ILE 138 HA -0.0006 -0.0045 0.0039 1513 ILE 138 HB -0.0012 -0.0053 0.0033 1514 ILE 138 HG13 -0.0019 -0.0051 0.0037 1515 ILE 138 HG12 -0.0013 -0.0051 0.0035 1516 ILE 138 HG21 -0.0005 -0.0056 0.0028 1517 ILE 138 HG22 -0.0001 -0.0051 0.0031 1518 ILE 138 HG23 -0.0002 -0.0051 0.0032 1519 ILE 138 HD11 -0.0021 -0.0059 0.0030 1520 ILE 138 HD12 -0.0019 -0.0059 0.0029 1521 ILE 138 HD13 -0.0014 -0.0059 0.0027 1522 LEU 139 N 0.0003 -0.0041 0.0033 1523 LEU 139 CA -0.0003 -0.0025 0.0026 1524 LEU 139 C -0.0008 -0.0039 0.0026 1525 LEU 139 O 0.0002 -0.0054 0.0035 1526 LEU 139 CB 0.0015 -0.0007 0.0034 1527 LEU 139 CG 0.0019 0.0011 0.0033 1528 LEU 139 CD1 0.0039 0.0026 0.0042 1529 LEU 139 CD2 0.0002 0.0027 0.0019 1530 LEU 139 H 0.0015 -0.0049 0.0041 1531 LEU 139 HA -0.0016 -0.0017 0.0017 1532 LEU 139 HB3 0.0012 0.0001 0.0030 1533 LEU 139 HB2 0.0028 -0.0016 0.0043 1534 LEU 139 HG 0.0020 0.0003 0.0035 1535 LEU 139 HD11 0.0042 0.0039 0.0041 1536 LEU 139 HD12 0.0051 0.0015 0.0051 1537 LEU 139 HD13 0.0039 0.0034 0.0040 1538 LEU 139 HD21 0.0007 0.0045 0.0019 1539 LEU 139 HD22 -0.0008 0.0025 0.0014 1540 LEU 139 HD23 -0.0008 0.0022 0.0015 1541 VAL 140 N -0.0025 -0.0034 0.0015 1542 VAL 140 CA -0.0031 -0.0045 0.0013 1543 VAL 140 C -0.0034 -0.0025 0.0008 1544 VAL 140 O -0.0045 -0.0010 -0.0001 1545 VAL 140 CB -0.0051 -0.0060 0.0004 1546 VAL 140 CG1 -0.0060 -0.0069 0.0000 1547 VAL 140 CG2 -0.0049 -0.0080 0.0009 1548 VAL 140 H -0.0033 -0.0022 0.0008 1549 VAL 140 HA -0.0020 -0.0055 0.0022 1550 VAL 140 HB -0.0062 -0.0050 -0.0004 1551 VAL 140 HG11 -0.0073 -0.0081 -0.0005 1552 VAL 140 HG12 -0.0064 -0.0056 -0.0005 1553 VAL 140 HG13 -0.0049 -0.0079 0.0009 1554 VAL 140 HG21 -0.0063 -0.0091 0.0003 1555 VAL 140 HG22 -0.0037 -0.0091 0.0018 1556 VAL 140 HG23 -0.0045 -0.0074 0.0010 1557 SER 141 N 0.0016 -0.0029 -0.0030 1558 SER 141 CA 0.0023 -0.0027 -0.0031 1559 SER 141 C 0.0015 -0.0031 -0.0027 1560 SER 141 O 0.0013 -0.0039 -0.0019 1561 SER 141 CB 0.0036 -0.0031 -0.0026 1562 SER 141 OG 0.0045 -0.0028 -0.0030 1563 SER 141 H 0.0019 -0.0034 -0.0024 1564 SER 141 HA 0.0024 -0.0020 -0.0039 1565 SER 141 HB3 0.0041 -0.0030 -0.0027 1566 SER 141 HB2 0.0035 -0.0038 -0.0019 1567 SER 141 HG 0.0053 -0.0031 -0.0026 1568 VAL 142 N 0.0009 -0.0025 -0.0034 1569 VAL 142 CA 0.0000 -0.0028 -0.0031 1570 VAL 142 C 0.0008 -0.0030 -0.0028 1571 VAL 142 O 0.0004 -0.0037 -0.0022 1572 VAL 142 CB -0.0010 -0.0021 -0.0039 1573 VAL 142 CG1 -0.0021 -0.0024 -0.0036 1574 VAL 142 CG2 -0.0017 -0.0018 -0.0042 1575 VAL 142 H 0.0011 -0.0019 -0.0041 1576 VAL 142 HA -0.0005 -0.0035 -0.0024 1577 VAL 142 HB -0.0005 -0.0015 -0.0045 1578 VAL 142 HG11 -0.0028 -0.0019 -0.0042 1579 VAL 142 HG12 -0.0017 -0.0026 -0.0034 1580 VAL 142 HG13 -0.0026 -0.0030 -0.0030 1581 VAL 142 HG21 -0.0025 -0.0014 -0.0047 1582 VAL 142 HG22 -0.0020 -0.0024 -0.0036 1583 VAL 142 HG23 -0.0010 -0.0014 -0.0046 1584 GLY 143 N 0.0071 -0.0059 -0.0027 1585 GLY 143 CA 0.0072 -0.0060 -0.0027 1586 GLY 143 C 0.0074 -0.0060 -0.0029 1587 GLY 143 O 0.0075 -0.0058 -0.0030 1588 GLY 143 H 0.0072 -0.0057 -0.0029 1589 GLY 143 HA3 0.0071 -0.0060 -0.0026 1590 GLY 143 HA2 0.0073 -0.0062 -0.0025 1591 CYS 144 N 0.0076 -0.0061 -0.0029 1592 CYS 144 CA 0.0078 -0.0060 -0.0030 1593 CYS 144 C 0.0078 -0.0060 -0.0031 1594 CYS 144 O 0.0076 -0.0060 -0.0029 1595 CYS 144 CB 0.0080 -0.0062 -0.0030 1596 CYS 144 SG 0.0081 -0.0063 -0.0030 1597 CYS 144 H 0.0075 -0.0062 -0.0027 1598 CYS 144 HA 0.0078 -0.0059 -0.0032 1599 CYS 144 HB3 0.0082 -0.0062 -0.0031 1600 CYS 144 HB2 0.0080 -0.0064 -0.0029 1601 THR 145 N 0.0041 -0.0029 0.0041 1602 THR 145 CA 0.0037 -0.0032 0.0049 1603 THR 145 C 0.0038 -0.0039 0.0042 1604 THR 145 O 0.0043 -0.0038 0.0032 1605 THR 145 CB 0.0038 -0.0021 0.0055 1606 THR 145 OG1 0.0034 -0.0024 0.0063 1607 THR 145 CG2 0.0043 -0.0014 0.0048 1608 THR 145 H 0.0045 -0.0027 0.0034 1609 THR 145 HA 0.0033 -0.0037 0.0055 1610 THR 145 HB 0.0038 -0.0016 0.0058 1611 THR 145 HG1 0.0032 -0.0020 0.0070 1612 THR 145 HG21 0.0043 -0.0006 0.0052 1613 THR 145 HG22 0.0047 -0.0012 0.0041 1614 THR 145 HG23 0.0043 -0.0018 0.0044 1615 CYS 146 N 0.0034 -0.0047 0.0047 1616 CYS 146 CA 0.0034 -0.0054 0.0042 1617 CYS 146 C 0.0035 -0.0048 0.0043 1618 CYS 146 O 0.0032 -0.0045 0.0052 1619 CYS 146 CB 0.0028 -0.0065 0.0047 1620 CYS 146 SG 0.0028 -0.0076 0.0041 1621 CYS 146 H 0.0031 -0.0047 0.0055 1622 CYS 146 HA 0.0037 -0.0056 0.0033 1623 CYS 146 HB3 0.0025 -0.0064 0.0055 1624 CYS 146 HB2 0.0027 -0.0069 0.0047 1625 VAL 147 N -0.0008 -0.0030 0.0136 1626 VAL 147 CA -0.0004 -0.0016 0.0128 1627 VAL 147 C 0.0010 -0.0016 0.0124 1628 VAL 147 O 0.0020 -0.0026 0.0126 1629 VAL 147 CB -0.0003 -0.0010 0.0125 1630 VAL 147 CG1 -0.0017 -0.0008 0.0128 1631 VAL 147 CG2 0.0009 -0.0017 0.0125 1632 VAL 147 H 0.0000 -0.0037 0.0137 1633 VAL 147 HA -0.0012 -0.0010 0.0128 1634 VAL 147 HB -0.0000 0.0000 0.0119 1635 VAL 147 HG11 -0.0016 -0.0004 0.0126 1636 VAL 147 HG12 -0.0026 -0.0002 0.0127 1637 VAL 147 HG13 -0.0021 -0.0018 0.0134 1638 VAL 147 HG21 0.0009 -0.0013 0.0123 1639 VAL 147 HG22 0.0008 -0.0028 0.0130 1640 VAL 147 HG23 0.0020 -0.0017 0.0121 1641 THR 148 N 0.0012 -0.0004 0.0117 1642 THR 148 CA 0.0026 -0.0000 0.0112 1643 THR 148 C 0.0036 0.0002 0.0108 1644 THR 148 O 0.0030 0.0007 0.0107 1645 THR 148 CB 0.0023 0.0013 0.0106 1646 THR 148 OG1 0.0016 0.0024 0.0103 1647 THR 148 CG2 0.0014 0.0013 0.0109 1648 THR 148 H 0.0004 0.0004 0.0116 1649 THR 148 HA 0.0031 -0.0008 0.0114 1650 THR 148 HB 0.0034 0.0016 0.0101 1651 THR 148 HG1 0.0023 0.0027 0.0099 1652 THR 148 HG21 0.0013 0.0023 0.0104 1653 THR 148 HG22 0.0020 0.0005 0.0111 1654 THR 148 HG23 0.0004 0.0010 0.0113 1655 PRO 149 N 0.0075 0.0016 0.0063 1656 PRO 149 CA 0.0060 0.0011 0.0072 1657 PRO 149 C 0.0044 0.0020 0.0016 1658 PRO 149 O 0.0058 0.0033 -0.0030 1659 PRO 149 CB 0.0114 0.0015 0.0101 1660 PRO 149 CG 0.0163 0.0028 0.0081 1661 PRO 149 CD 0.0136 0.0024 0.0078 1662 PRO 149 HA 0.0024 -0.0001 0.0101 1663 PRO 149 HB3 0.0111 0.0004 0.0148 1664 PRO 149 HB2 0.0121 0.0018 0.0092 1665 PRO 149 HG3 0.0201 0.0029 0.0110 1666 PRO 149 HG2 0.0175 0.0039 0.0039 1667 PRO 149 HD2 0.0157 0.0035 0.0047 1668 PRO 149 HD3 0.0138 0.0016 0.0119 1669 ILE 150 N 0.0015 0.0014 0.0021 1670 ILE 150 CA 0.0009 0.0023 -0.0026 1671 ILE 150 C 0.0060 0.0031 -0.0020 1672 ILE 150 O 0.0067 0.0023 0.0024 1673 ILE 150 CB -0.0048 0.0012 -0.0024 1674 ILE 150 CG1 -0.0101 0.0005 -0.0033 1675 ILE 150 CG2 -0.0052 0.0021 -0.0066 1676 ILE 150 CD1 -0.0106 0.0016 -0.0091 1677 ILE 150 H 0.0010 0.0005 0.0060 1678 ILE 150 HA 0.0010 0.0032 -0.0067 1679 ILE 150 HB -0.0051 0.0003 0.0019 1680 ILE 150 HG13 -0.0141 -0.0004 -0.0028 1681 ILE 150 HG12 -0.0101 -0.0003 0.0000 1682 ILE 150 HG21 -0.0094 0.0013 -0.0065 1683 ILE 150 HG22 -0.0021 0.0024 -0.0054 1684 ILE 150 HG23 -0.0044 0.0032 -0.0110 1685 ILE 150 HD11 -0.0150 0.0010 -0.0099 1686 ILE 150 HD12 -0.0096 0.0026 -0.0127 1687 ILE 150 HD13 -0.0078 0.0022 -0.0092 1688 VAL 151 N 0.0501 0.0047 -0.0207 1689 VAL 151 CA 0.0204 0.0032 -0.0159 1690 VAL 151 C 0.0145 -0.0145 0.0028 1691 VAL 151 O 0.0303 -0.0293 0.0163 1692 VAL 151 CB 0.0100 0.0002 -0.0117 1693 VAL 151 CG1 -0.0212 -0.0024 -0.0056 1694 VAL 151 CG2 0.0173 0.0171 -0.0298 1695 VAL 151 H 0.0613 -0.0058 -0.0112 1696 VAL 151 HA 0.0095 0.0163 -0.0281 1697 VAL 151 HB 0.0207 -0.0130 0.0006 1698 VAL 151 HG11 -0.0278 -0.0031 -0.0042 1699 VAL 151 HG12 -0.0267 -0.0159 0.0088 1700 VAL 151 HG13 -0.0335 0.0096 -0.0166 1701 VAL 151 HG21 0.0094 0.0153 -0.0272 1702 VAL 151 HG22 0.0086 0.0310 -0.0431 1703 VAL 151 HG23 0.0395 0.0179 -0.0330 1704 HIS 152 N -0.0081 -0.0125 0.0032 1705 HIS 152 CA -0.0176 -0.0279 0.0201 1706 HIS 152 C -0.0444 -0.0338 0.0290 1707 HIS 152 O -0.0656 -0.0229 0.0202 1708 HIS 152 CB -0.0225 -0.0204 0.0129 1709 HIS 152 CG 0.0029 -0.0143 0.0039 1710 HIS 152 ND1 0.0147 0.0030 -0.0151 1711 HIS 152 CD2 0.0187 -0.0232 0.0113 1712 HIS 152 CE1 0.0364 0.0037 -0.0182 1713 HIS 152 NE2 0.0400 -0.0118 -0.0028 1714 HIS 152 H -0.0213 -0.0005 -0.0076 1715 HIS 152 HA -0.0026 -0.0405 0.0313 1716 HIS 152 HB3 -0.0310 -0.0317 0.0254 1717 HIS 152 HB2 -0.0381 -0.0081 0.0020 1718 HIS 152 HD1 0.0086 0.0132 -0.0249 1719 HIS 152 HD2 0.0165 -0.0370 0.0256 1720 HIS 152 HE1 0.0498 0.0155 -0.0317 1721 HIS 153 N 0.0109 0.0024 -0.0056 1722 HIS 153 CA 0.0102 0.0066 -0.0043 1723 HIS 153 C 0.0166 0.0097 -0.0022 1724 HIS 153 O 0.0169 0.0148 -0.0004 1725 HIS 153 CB 0.0044 0.0113 -0.0038 1726 HIS 153 CG -0.0019 0.0085 -0.0058 1727 HIS 153 ND1 -0.0035 0.0069 -0.0066 1728 HIS 153 CD2 -0.0068 0.0071 -0.0072 1729 HIS 153 CE1 -0.0093 0.0047 -0.0084 1730 HIS 153 NE2 -0.0115 0.0046 -0.0088 1731 HIS 153 H 0.0083 0.0039 -0.0056 1732 HIS 153 HA 0.0093 0.0038 -0.0054 1733 HIS 153 HXT 0.0209 0.0070 -0.0023 1734 HIS 153 HB3 0.0037 0.0141 -0.0030 1735 HIS 153 HB2 0.0055 0.0146 -0.0025 1736 HIS 153 HD2 -0.0074 0.0076 -0.0071 1737 HIS 153 HE1 -0.0119 0.0030 -0.0094 1738 HIS 153 HE2 -0.0158 0.0032 -0.0101 1739 PHE 41 N 0.0016 -0.0030 0.0075 1740 PHE 41 CA 0.0024 -0.0027 0.0000 1741 PHE 41 C -0.0023 0.0020 -0.0009 1742 PHE 41 O -0.0044 0.0033 0.0047 1743 PHE 41 CB 0.0082 -0.0081 -0.0012 1744 PHE 41 CG 0.0131 -0.0126 -0.0028 1745 PHE 41 CD1 0.0137 -0.0123 -0.0095 1746 PHE 41 CD2 0.0170 -0.0171 0.0027 1747 PHE 41 CE1 0.0181 -0.0164 -0.0108 1748 PHE 41 CE2 0.0214 -0.0212 0.0013 1749 PHE 41 CZ 0.0220 -0.0208 -0.0055 1750 PHE 41 H1 0.0051 -0.0064 0.0087 1751 PHE 41 H2 -0.0016 0.0001 0.0080 1752 PHE 41 HA 0.0022 -0.0019 -0.0043 1753 PHE 41 HB3 0.0084 -0.0076 -0.0061 1754 PHE 41 HB2 0.0088 -0.0094 0.0037 1755 PHE 41 HD1 0.0107 -0.0089 -0.0138 1756 PHE 41 HD2 0.0166 -0.0175 0.0080 1757 PHE 41 HE1 0.0186 -0.0161 -0.0160 1758 PHE 41 HE2 0.0244 -0.0247 0.0055 1759 PHE 41 HZ 0.0254 -0.0240 -0.0065 1760 PRO 42 N -0.0038 0.0044 -0.0080 1761 PRO 42 CA -0.0080 0.0087 -0.0097 1762 PRO 42 C -0.0059 0.0066 -0.0089 1763 PRO 42 O -0.0014 0.0026 -0.0122 1764 PRO 42 CB -0.0092 0.0110 -0.0180 1765 PRO 42 CG -0.0038 0.0062 -0.0216 1766 PRO 42 CD -0.0016 0.0032 -0.0151 1767 PRO 42 HA -0.0118 0.0118 -0.0058 1768 PRO 42 HB3 -0.0125 0.0141 -0.0179 1769 PRO 42 HB2 -0.0105 0.0127 -0.0212 1770 PRO 42 HG3 -0.0042 0.0073 -0.0267 1771 PRO 42 HG2 -0.0009 0.0036 -0.0233 1772 PRO 42 HD2 0.0029 -0.0010 -0.0158 1773 PRO 42 HD3 -0.0032 0.0048 -0.0150 1774 ARG 43 N -0.0058 0.0041 -0.0121 1775 ARG 43 CA -0.0073 0.0043 -0.0090 1776 ARG 43 C -0.0066 0.0063 -0.0097 1777 ARG 43 O -0.0075 0.0052 -0.0082 1778 ARG 43 CB -0.0085 0.0066 -0.0059 1779 ARG 43 CG -0.0101 0.0074 -0.0025 1780 ARG 43 CD -0.0111 0.0101 0.0002 1781 ARG 43 NE -0.0124 0.0115 0.0033 1782 ARG 43 CZ -0.0122 0.0146 0.0037 1783 ARG 43 NH1 -0.0105 0.0167 0.0009 1784 ARG 43 NH2 -0.0136 0.0156 0.0068 1785 ARG 43 H -0.0056 0.0055 -0.0119 1786 ARG 43 HA -0.0081 0.0013 -0.0082 1787 ARG 43 HB3 -0.0077 0.0094 -0.0068 1788 ARG 43 HB2 -0.0090 0.0050 -0.0052 1789 ARG 43 HG3 -0.0111 0.0046 -0.0014 1790 ARG 43 HG2 -0.0097 0.0086 -0.0029 1791 ARG 43 HD3 -0.0101 0.0125 -0.0010 1792 ARG 43 HD2 -0.0119 0.0084 0.0014 1793 ARG 43 HH22 -0.0134 0.0179 0.0071 1794 ARG 43 HH21 -0.0149 0.0143 0.0090 1795 ARG 43 HH12 -0.0102 0.0191 0.0011 1796 ARG 43 HH11 -0.0093 0.0157 -0.0016 1797 ARG 43 HE -0.0137 0.0099 0.0054 1798 THR 44 N -0.0052 0.0093 -0.0117 1799 THR 44 CA -0.0045 0.0118 -0.0123 1800 THR 44 C -0.0025 0.0124 -0.0162 1801 THR 44 O -0.0016 0.0131 -0.0179 1802 THR 44 CB -0.0050 0.0158 -0.0102 1803 THR 44 OG1 -0.0070 0.0151 -0.0065 1804 THR 44 CG2 -0.0044 0.0187 -0.0105 1805 THR 44 H -0.0044 0.0099 -0.0131 1806 THR 44 HA -0.0052 0.0104 -0.0115 1807 THR 44 HB -0.0044 0.0172 -0.0110 1808 THR 44 HG1 -0.0074 0.0131 -0.0061 1809 THR 44 HG21 -0.0049 0.0213 -0.0088 1810 THR 44 HG22 -0.0030 0.0196 -0.0132 1811 THR 44 HG23 -0.0050 0.0174 -0.0099 1812 VAL 45 N -0.0010 0.0066 -0.0120 1813 VAL 45 CA -0.0010 0.0066 -0.0117 1814 VAL 45 C -0.0009 0.0065 -0.0109 1815 VAL 45 O -0.0009 0.0065 -0.0106 1816 VAL 45 CB -0.0017 0.0068 -0.0118 1817 VAL 45 CG1 -0.0019 0.0069 -0.0126 1818 VAL 45 CG2 -0.0023 0.0070 -0.0114 1819 VAL 45 H -0.0012 0.0067 -0.0117 1820 VAL 45 HA -0.0007 0.0065 -0.0120 1821 VAL 45 HB -0.0017 0.0068 -0.0116 1822 VAL 45 HG11 -0.0023 0.0071 -0.0127 1823 VAL 45 HG12 -0.0015 0.0068 -0.0129 1824 VAL 45 HG13 -0.0020 0.0070 -0.0128 1825 VAL 45 HG21 -0.0028 0.0072 -0.0115 1826 VAL 45 HG22 -0.0023 0.0070 -0.0116 1827 VAL 45 HG23 -0.0022 0.0070 -0.0109 1828 MET 46 N -0.0007 0.0064 -0.0107 1829 MET 46 CA -0.0005 0.0064 -0.0099 1830 MET 46 C -0.0012 0.0065 -0.0095 1831 MET 46 O -0.0015 0.0067 -0.0098 1832 MET 46 CB 0.0001 0.0062 -0.0098 1833 MET 46 CG 0.0007 0.0060 -0.0101 1834 MET 46 SD 0.0014 0.0057 -0.0099 1835 MET 46 CE 0.0013 0.0058 -0.0106 1836 MET 46 H -0.0007 0.0065 -0.0109 1837 MET 46 HA -0.0004 0.0063 -0.0097 1838 MET 46 HB3 0.0001 0.0061 -0.0093 1839 MET 46 HB2 -0.0000 0.0062 -0.0101 1840 MET 46 HG3 0.0007 0.0060 -0.0106 1841 MET 46 HG2 0.0008 0.0059 -0.0098 1842 MET 46 HE1 0.0017 0.0057 -0.0106 1843 MET 46 HE2 0.0013 0.0058 -0.0111 1844 MET 46 HE3 0.0009 0.0060 -0.0105 1845 VAL 47 N 0.0015 0.0036 -0.0051 1846 VAL 47 CA 0.0012 0.0038 -0.0048 1847 VAL 47 C 0.0013 0.0036 -0.0043 1848 VAL 47 O 0.0015 0.0034 -0.0042 1849 VAL 47 CB 0.0009 0.0040 -0.0048 1850 VAL 47 CG1 0.0006 0.0041 -0.0045 1851 VAL 47 CG2 0.0008 0.0042 -0.0053 1852 VAL 47 H 0.0017 0.0035 -0.0051 1853 VAL 47 HA 0.0010 0.0039 -0.0048 1854 VAL 47 HB 0.0011 0.0039 -0.0048 1855 VAL 47 HG11 0.0004 0.0043 -0.0046 1856 VAL 47 HG12 0.0007 0.0040 -0.0042 1857 VAL 47 HG13 0.0004 0.0042 -0.0045 1858 VAL 47 HG21 0.0006 0.0043 -0.0053 1859 VAL 47 HG22 0.0007 0.0043 -0.0053 1860 VAL 47 HG23 0.0010 0.0041 -0.0055 1861 ASN 48 N 0.0012 0.0036 -0.0040 1862 ASN 48 CA 0.0012 0.0035 -0.0036 1863 ASN 48 C 0.0009 0.0037 -0.0034 1864 ASN 48 O 0.0006 0.0039 -0.0034 1865 ASN 48 CB 0.0012 0.0035 -0.0034 1866 ASN 48 CG 0.0012 0.0034 -0.0029 1867 ASN 48 OD1 0.0012 0.0033 -0.0027 1868 ASN 48 ND2 0.0011 0.0034 -0.0028 1869 ASN 48 H 0.0010 0.0037 -0.0042 1870 ASN 48 HA 0.0014 0.0033 -0.0035 1871 ASN 48 HB3 0.0009 0.0037 -0.0035 1872 ASN 48 HB2 0.0014 0.0034 -0.0036 1873 ASN 48 HD22 0.0011 0.0033 -0.0025 1874 ASN 48 HD21 0.0011 0.0034 -0.0030 1875 LEU 49 N 0.0019 0.0013 -0.0010 1876 LEU 49 CA 0.0020 0.0012 -0.0011 1877 LEU 49 C 0.0017 0.0010 -0.0009 1878 LEU 49 O 0.0018 0.0009 -0.0009 1879 LEU 49 CB 0.0024 0.0008 -0.0013 1880 LEU 49 CG 0.0028 0.0010 -0.0015 1881 LEU 49 CD1 0.0031 0.0006 -0.0016 1882 LEU 49 CD2 0.0030 0.0014 -0.0015 1883 LEU 49 H 0.0020 0.0011 -0.0010 1884 LEU 49 HA 0.0022 0.0015 -0.0011 1885 LEU 49 HB3 0.0024 0.0007 -0.0013 1886 LEU 49 HB2 0.0023 0.0006 -0.0012 1887 LEU 49 HG 0.0028 0.0011 -0.0014 1888 LEU 49 HD11 0.0034 0.0008 -0.0018 1889 LEU 49 HD12 0.0031 0.0004 -0.0016 1890 LEU 49 HD13 0.0031 0.0004 -0.0016 1891 LEU 49 HD21 0.0033 0.0015 -0.0017 1892 LEU 49 HD22 0.0029 0.0014 -0.0015 1893 LEU 49 HD23 0.0028 0.0017 -0.0014 1894 ASN 50 N 0.0013 0.0009 -0.0007 1895 ASN 50 CA 0.0010 0.0008 -0.0005 1896 ASN 50 C 0.0008 0.0012 -0.0004 1897 ASN 50 O 0.0005 0.0014 -0.0003 1898 ASN 50 CB 0.0007 0.0005 -0.0004 1899 ASN 50 CG 0.0008 0.0001 -0.0005 1900 ASN 50 OD1 0.0008 -0.0002 -0.0005 1901 ASN 50 ND2 0.0008 -0.0000 -0.0005 1902 ASN 50 H 0.0013 0.0010 -0.0007 1903 ASN 50 HA 0.0011 0.0005 -0.0006 1904 ASN 50 HB3 0.0004 0.0005 -0.0002 1905 ASN 50 HB2 0.0006 0.0008 -0.0004 1906 ASN 50 HD22 0.0008 -0.0003 -0.0005 1907 ASN 50 HD21 0.0008 0.0002 -0.0005 1908 ILE 51 N 0.0007 0.0004 0.0031 1909 ILE 51 CA 0.0010 0.0003 0.0032 1910 ILE 51 C -0.0002 0.0001 0.0025 1911 ILE 51 O -0.0009 -0.0006 0.0017 1912 ILE 51 CB 0.0021 -0.0009 0.0032 1913 ILE 51 CG1 0.0033 -0.0008 0.0039 1914 ILE 51 CG2 0.0023 -0.0012 0.0032 1915 ILE 51 CD1 0.0042 -0.0021 0.0037 1916 ILE 51 H 0.0014 -0.0001 0.0032 1917 ILE 51 HA 0.0013 0.0011 0.0037 1918 ILE 51 HB 0.0018 -0.0017 0.0026 1919 ILE 51 HG13 0.0031 -0.0004 0.0040 1920 ILE 51 HG12 0.0038 -0.0002 0.0044 1921 ILE 51 HG21 0.0031 -0.0019 0.0032 1922 ILE 51 HG22 0.0016 -0.0015 0.0026 1923 ILE 51 HG23 0.0025 -0.0003 0.0037 1924 ILE 51 HD11 0.0051 -0.0021 0.0042 1925 ILE 51 HD12 0.0039 -0.0026 0.0033 1926 ILE 51 HD13 0.0041 -0.0028 0.0033 1927 HIS 52 N -0.0004 0.0007 0.0027 1928 HIS 52 CA -0.0012 0.0005 0.0021 1929 HIS 52 C -0.0005 -0.0002 0.0021 1930 HIS 52 O 0.0004 0.0002 0.0028 1931 HIS 52 CB -0.0021 0.0017 0.0022 1932 HIS 52 CG -0.0032 0.0022 0.0019 1933 HIS 52 ND1 -0.0033 0.0017 0.0015 1934 HIS 52 CD2 -0.0042 0.0032 0.0018 1935 HIS 52 CE1 -0.0044 0.0023 0.0013 1936 HIS 52 NE2 -0.0050 0.0032 0.0014 1937 HIS 52 H 0.0002 0.0013 0.0033 1938 HIS 52 HA -0.0018 -0.0002 0.0014 1939 HIS 52 HB3 -0.0025 0.0016 0.0019 1940 HIS 52 HB2 -0.0016 0.0025 0.0029 1941 HIS 52 HD1 -0.0027 0.0009 0.0015 1942 HIS 52 HD2 -0.0045 0.0038 0.0020 1943 HIS 52 HE1 -0.0047 0.0020 0.0009 1944 ASN 53 N -0.0005 -0.0032 0.0075 1945 ASN 53 CA -0.0006 -0.0037 0.0075 1946 ASN 53 C -0.0009 -0.0035 0.0072 1947 ASN 53 O -0.0013 -0.0034 0.0068 1948 ASN 53 CB -0.0008 -0.0043 0.0075 1949 ASN 53 CG -0.0004 -0.0045 0.0080 1950 ASN 53 OD1 -0.0003 -0.0050 0.0081 1951 ASN 53 ND2 -0.0002 -0.0042 0.0082 1952 ASN 53 H -0.0007 -0.0032 0.0073 1953 ASN 53 HA -0.0003 -0.0037 0.0079 1954 ASN 53 HB3 -0.0009 -0.0046 0.0074 1955 ASN 53 HB2 -0.0010 -0.0042 0.0072 1956 ASN 53 HD22 0.0001 -0.0043 0.0084 1957 ASN 53 HD21 -0.0002 -0.0037 0.0080 1958 ARG 54 N -0.0008 -0.0035 0.0073 1959 ARG 54 CA -0.0010 -0.0033 0.0070 1960 ARG 54 C -0.0012 -0.0039 0.0070 1961 ARG 54 O -0.0009 -0.0040 0.0072 1962 ARG 54 CB -0.0007 -0.0028 0.0072 1963 ARG 54 CG -0.0009 -0.0026 0.0070 1964 ARG 54 CD -0.0013 -0.0023 0.0065 1965 ARG 54 NE -0.0012 -0.0017 0.0065 1966 ARG 54 CZ -0.0014 -0.0014 0.0061 1967 ARG 54 NH1 -0.0018 -0.0015 0.0057 1968 ARG 54 NH2 -0.0013 -0.0009 0.0062 1969 ARG 54 H -0.0005 -0.0036 0.0076 1970 ARG 54 HA -0.0013 -0.0031 0.0067 1971 ARG 54 HB3 -0.0005 -0.0029 0.0076 1972 ARG 54 HB2 -0.0006 -0.0024 0.0072 1973 ARG 54 HG3 -0.0010 -0.0029 0.0070 1974 ARG 54 HG2 -0.0007 -0.0022 0.0072 1975 ARG 54 HD3 -0.0015 -0.0026 0.0063 1976 ARG 54 HD2 -0.0014 -0.0022 0.0063 1977 ARG 54 HH22 -0.0015 -0.0006 0.0059 1978 ARG 54 HH21 -0.0010 -0.0008 0.0065 1979 ARG 54 HH12 -0.0020 -0.0013 0.0054 1980 ARG 54 HH11 -0.0020 -0.0019 0.0057 1981 ARG 54 HE -0.0009 -0.0015 0.0068 1982 ASN 55 N -0.0016 -0.0044 0.0129 1983 ASN 55 CA -0.0027 -0.0042 0.0131 1984 ASN 55 C -0.0076 -0.0013 0.0151 1985 ASN 55 O -0.0100 -0.0012 0.0153 1986 ASN 55 CB -0.0034 -0.0093 0.0104 1987 ASN 55 CG 0.0011 -0.0127 0.0082 1988 ASN 55 OD1 0.0050 -0.0116 0.0084 1989 ASN 55 ND2 0.0005 -0.0170 0.0059 1990 ASN 55 H 0.0020 -0.0030 0.0133 1991 ASN 55 HA 0.0007 -0.0024 0.0138 1992 ASN 55 HXT -0.0089 0.0009 0.0164 1993 ASN 55 HB3 -0.0037 -0.0088 0.0107 1994 ASN 55 HB2 -0.0072 -0.0110 0.0098 1995 ASN 55 HD22 0.0034 -0.0193 0.0044 1996 ASN 55 HD21 -0.0027 -0.0180 0.0057 1997 SER 64 N -0.0339 0.0327 0.0003 1998 SER 64 CA -0.0309 0.0266 -0.0031 1999 SER 64 C -0.0270 0.0218 -0.0025 2000 SER 64 O -0.0267 0.0231 0.0003 2001 SER 64 CB -0.0286 0.0255 -0.0000 2002 SER 64 OG -0.0257 0.0258 0.0069 2003 SER 64 H1 -0.0373 0.0357 -0.0022 2004 SER 64 H2 -0.0339 0.0326 0.0000 2005 SER 64 HA -0.0330 0.0262 -0.0085 2006 SER 64 HB3 -0.0314 0.0288 -0.0006 2007 SER 64 HB2 -0.0265 0.0212 -0.0026 2008 SER 64 HG -0.0277 0.0295 0.0086 2009 ASP 65 N -0.0239 0.0162 -0.0052 2010 ASP 65 CA -0.0197 0.0108 -0.0047 2011 ASP 65 C -0.0152 0.0085 0.0012 2012 ASP 65 O -0.0113 0.0038 0.0021 2013 ASP 65 CB -0.0190 0.0060 -0.0114 2014 ASP 65 CG -0.0195 0.0046 -0.0147 2015 ASP 65 OD1 -0.0205 0.0075 -0.0121 2016 ASP 65 OD2 -0.0186 0.0003 -0.0198 2017 ASP 65 H -0.0243 0.0153 -0.0076 2018 ASP 65 HA -0.0200 0.0118 -0.0038 2019 ASP 65 HB3 -0.0217 0.0072 -0.0152 2020 ASP 65 HB2 -0.0156 0.0018 -0.0108 2021 TYR 66 N -0.0051 0.0072 0.0070 2022 TYR 66 CA -0.0041 0.0069 0.0084 2023 TYR 66 C -0.0040 0.0069 0.0083 2024 TYR 66 O -0.0027 0.0066 0.0088 2025 TYR 66 CB -0.0048 0.0069 0.0101 2026 TYR 66 CG -0.0047 0.0068 0.0107 2027 TYR 66 CD1 -0.0036 0.0066 0.0098 2028 TYR 66 CD2 -0.0057 0.0069 0.0121 2029 TYR 66 CE1 -0.0035 0.0066 0.0104 2030 TYR 66 CE2 -0.0056 0.0068 0.0126 2031 TYR 66 CZ -0.0045 0.0067 0.0118 2032 TYR 66 OH -0.0043 0.0066 0.0124 2033 TYR 66 H -0.0060 0.0074 0.0073 2034 TYR 66 HA -0.0028 0.0066 0.0082 2035 TYR 66 HB3 -0.0042 0.0067 0.0111 2036 TYR 66 HB2 -0.0062 0.0072 0.0102 2037 TYR 66 HD1 -0.0028 0.0066 0.0087 2038 TYR 66 HD2 -0.0065 0.0070 0.0127 2039 TYR 66 HE1 -0.0026 0.0064 0.0098 2040 TYR 66 HE2 -0.0063 0.0069 0.0137 2041 TYR 66 HH -0.0035 0.0065 0.0118 2042 TYR 67 N -0.0054 0.0072 0.0077 2043 TYR 67 CA -0.0055 0.0072 0.0075 2044 TYR 67 C -0.0042 0.0071 0.0063 2045 TYR 67 O -0.0038 0.0070 0.0064 2046 TYR 67 CB -0.0073 0.0077 0.0070 2047 TYR 67 CG -0.0078 0.0079 0.0052 2048 TYR 67 CD1 -0.0084 0.0081 0.0047 2049 TYR 67 CD2 -0.0077 0.0080 0.0040 2050 TYR 67 CE1 -0.0088 0.0083 0.0030 2051 TYR 67 CE2 -0.0081 0.0082 0.0022 2052 TYR 67 CZ -0.0086 0.0084 0.0018 2053 TYR 67 OH -0.0090 0.0086 0.0001 2054 TYR 67 H -0.0064 0.0075 0.0074 2055 TYR 67 HA -0.0053 0.0071 0.0088 2056 TYR 67 HB3 -0.0082 0.0078 0.0079 2057 TYR 67 HB2 -0.0075 0.0077 0.0073 2058 TYR 67 HD1 -0.0086 0.0081 0.0057 2059 TYR 67 HD2 -0.0073 0.0079 0.0043 2060 TYR 67 HE1 -0.0093 0.0085 0.0027 2061 TYR 67 HE2 -0.0080 0.0083 0.0013 2062 TYR 67 HH -0.0095 0.0087 -0.0001 2063 ASN 68 N -0.0066 0.0051 0.0063 2064 ASN 68 CA -0.0043 0.0039 0.0042 2065 ASN 68 C -0.0016 0.0030 0.0051 2066 ASN 68 O 0.0008 0.0020 0.0048 2067 ASN 68 CB -0.0052 0.0039 0.0008 2068 ASN 68 CG -0.0073 0.0045 -0.0005 2069 ASN 68 OD1 -0.0070 0.0045 0.0002 2070 ASN 68 ND2 -0.0093 0.0051 -0.0025 2071 ASN 68 H -0.0076 0.0055 0.0059 2072 ASN 68 HA -0.0037 0.0038 0.0045 2073 ASN 68 HB3 -0.0033 0.0030 -0.0006 2074 ASN 68 HB2 -0.0061 0.0042 0.0006 2075 ASN 68 HD22 -0.0108 0.0056 -0.0033 2076 ASN 68 HD21 -0.0095 0.0051 -0.0031 2077 ARG 69 N -0.0019 0.0032 0.0059 2078 ARG 69 CA 0.0005 0.0024 0.0065 2079 ARG 69 C 0.0020 0.0022 0.0097 2080 ARG 69 O 0.0043 0.0013 0.0102 2081 ARG 69 CB -0.0007 0.0028 0.0063 2082 ARG 69 CG -0.0016 0.0028 0.0030 2083 ARG 69 CD -0.0036 0.0035 0.0031 2084 ARG 69 NE -0.0023 0.0032 0.0048 2085 ARG 69 CZ -0.0037 0.0039 0.0058 2086 ARG 69 NH1 -0.0022 0.0035 0.0074 2087 ARG 69 NH2 -0.0065 0.0049 0.0052 2088 ARG 69 H -0.0039 0.0040 0.0060 2089 ARG 69 HA 0.0021 0.0015 0.0048 2090 ARG 69 HB3 0.0011 0.0022 0.0071 2091 ARG 69 HB2 -0.0024 0.0036 0.0079 2092 ARG 69 HG3 -0.0030 0.0032 0.0020 2093 ARG 69 HG2 0.0001 0.0019 0.0015 2094 ARG 69 HD3 -0.0057 0.0045 0.0039 2095 ARG 69 HD2 -0.0039 0.0033 0.0007 2096 ARG 69 HH22 -0.0076 0.0055 0.0059 2097 ARG 69 HH21 -0.0077 0.0053 0.0040 2098 ARG 69 HH12 -0.0030 0.0039 0.0082 2099 ARG 69 HH11 -0.0000 0.0027 0.0079 2100 ARG 69 HE -0.0001 0.0024 0.0052 2101 SER 70 N 0.0007 0.0010 0.0045 2102 SER 70 CA 0.0000 0.0002 0.0042 2103 SER 70 C -0.0010 0.0000 0.0046 2104 SER 70 O -0.0014 0.0007 0.0053 2105 SER 70 CB 0.0001 0.0002 0.0042 2106 SER 70 OG -0.0006 -0.0005 0.0040 2107 SER 70 H 0.0010 0.0015 0.0047 2108 SER 70 HA 0.0003 -0.0004 0.0037 2109 SER 70 HB3 -0.0000 0.0008 0.0047 2110 SER 70 HB2 0.0009 0.0002 0.0038 2111 SER 70 HG -0.0002 -0.0010 0.0035 2112 THR 71 N -0.0016 -0.0008 0.0043 2113 THR 71 CA -0.0027 -0.0011 0.0046 2114 THR 71 C -0.0032 -0.0009 0.0050 2115 THR 71 O -0.0041 -0.0009 0.0055 2116 THR 71 CB -0.0030 -0.0021 0.0040 2117 THR 71 OG1 -0.0028 -0.0026 0.0035 2118 THR 71 CG2 -0.0026 -0.0024 0.0036 2119 THR 71 H -0.0012 -0.0013 0.0037 2120 THR 71 HA -0.0029 -0.0007 0.0050 2121 THR 71 HB -0.0038 -0.0023 0.0043 2122 THR 71 HG1 -0.0032 -0.0026 0.0038 2123 THR 71 HG21 -0.0029 -0.0031 0.0032 2124 THR 71 HG22 -0.0028 -0.0020 0.0040 2125 THR 71 HG23 -0.0018 -0.0023 0.0033 2126 SER 72 N -0.0014 0.0024 -0.0011 2127 SER 72 CA -0.0009 0.0025 -0.0009 2128 SER 72 C 0.0004 0.0029 -0.0002 2129 SER 72 O 0.0014 0.0029 -0.0008 2130 SER 72 CB -0.0008 0.0022 -0.0023 2131 SER 72 OG -0.0001 0.0021 -0.0032 2132 SER 72 H -0.0008 0.0024 -0.0015 2133 SER 72 HA -0.0016 0.0025 -0.0003 2134 SER 72 HB3 -0.0017 0.0019 -0.0026 2135 SER 72 HB2 -0.0002 0.0023 -0.0022 2136 SER 72 HG 0.0006 0.0023 -0.0027 2137 PRO 73 N 0.0003 0.0031 0.0011 2138 PRO 73 CA 0.0015 0.0035 0.0018 2139 PRO 73 C 0.0023 0.0037 0.0020 2140 PRO 73 O 0.0018 0.0036 0.0020 2141 PRO 73 CB 0.0010 0.0037 0.0030 2142 PRO 73 CG -0.0003 0.0036 0.0033 2143 PRO 73 CD -0.0008 0.0032 0.0019 2144 PRO 73 HA 0.0022 0.0035 0.0012 2145 PRO 73 HB3 0.0010 0.0037 0.0029 2146 PRO 73 HB2 0.0017 0.0040 0.0038 2147 PRO 73 HG3 -0.0010 0.0036 0.0039 2148 PRO 73 HG2 -0.0003 0.0037 0.0037 2149 PRO 73 HD2 -0.0015 0.0030 0.0018 2150 PRO 73 HD3 -0.0014 0.0030 0.0016 2151 TRP 74 N 0.0003 0.0074 0.0009 2152 TRP 74 CA 0.0007 0.0071 0.0007 2153 TRP 74 C 0.0005 0.0062 0.0007 2154 TRP 74 O -0.0001 0.0059 0.0010 2155 TRP 74 CB 0.0007 0.0077 0.0008 2156 TRP 74 CG -0.0001 0.0078 0.0011 2157 TRP 74 CD1 -0.0003 0.0073 0.0012 2158 TRP 74 CD2 -0.0007 0.0084 0.0015 2159 TRP 74 NE1 -0.0010 0.0076 0.0015 2160 TRP 74 CE2 -0.0013 0.0082 0.0017 2161 TRP 74 CE3 -0.0009 0.0090 0.0016 2162 TRP 74 CZ2 -0.0020 0.0087 0.0021 2163 TRP 74 CZ3 -0.0015 0.0095 0.0019 2164 TRP 74 CH2 -0.0021 0.0093 0.0022 2165 TRP 74 H -0.0003 0.0072 0.0012 2166 TRP 74 HA 0.0013 0.0071 0.0004 2167 TRP 74 HB3 0.0008 0.0084 0.0007 2168 TRP 74 HB2 0.0011 0.0076 0.0005 2169 TRP 74 HD1 0.0000 0.0068 0.0010 2170 TRP 74 HE1 -0.0013 0.0074 0.0017 2171 TRP 74 HE3 -0.0004 0.0091 0.0014 2172 TRP 74 HZ2 -0.0024 0.0086 0.0023 2173 TRP 74 HZ3 -0.0016 0.0100 0.0020 2174 TRP 74 HH2 -0.0026 0.0097 0.0024 2175 ASN 75 N 0.0009 0.0058 0.0005 2176 ASN 75 CA 0.0008 0.0049 0.0005 2177 ASN 75 C 0.0009 0.0050 0.0004 2178 ASN 75 O 0.0015 0.0054 0.0002 2179 ASN 75 CB 0.0014 0.0043 0.0002 2180 ASN 75 CG 0.0012 0.0042 0.0003 2181 ASN 75 OD1 0.0014 0.0047 0.0002 2182 ASN 75 ND2 0.0008 0.0035 0.0004 2183 ASN 75 H 0.0014 0.0061 0.0003 2184 ASN 75 HA 0.0002 0.0047 0.0008 2185 ASN 75 HB3 0.0013 0.0037 0.0002 2186 ASN 75 HB2 0.0019 0.0046 -0.0001 2187 ASN 75 HD22 0.0006 0.0033 0.0005 2188 ASN 75 HD21 0.0006 0.0030 0.0005 2189 LEU 76 N -0.0014 -0.0016 0.0008 2190 LEU 76 CA -0.0003 -0.0011 0.0004 2191 LEU 76 C 0.0028 -0.0044 -0.0001 2192 LEU 76 O 0.0024 -0.0080 0.0007 2193 LEU 76 CB -0.0040 -0.0014 0.0016 2194 LEU 76 CG -0.0071 0.0022 0.0020 2195 LEU 76 CD1 -0.0108 0.0012 0.0033 2196 LEU 76 CD2 -0.0056 0.0063 0.0008 2197 LEU 76 H -0.0037 -0.0034 0.0018 2198 LEU 76 HA 0.0009 0.0019 -0.0005 2199 LEU 76 HB3 -0.0030 -0.0014 0.0013 2200 LEU 76 HB2 -0.0053 -0.0043 0.0025 2201 LEU 76 HG -0.0080 0.0023 0.0023 2202 LEU 76 HD11 -0.0133 0.0034 0.0038 2203 LEU 76 HD12 -0.0118 -0.0018 0.0041 2204 LEU 76 HD13 -0.0103 0.0015 0.0031 2205 LEU 76 HD21 -0.0076 0.0080 0.0012 2206 LEU 76 HD22 -0.0027 0.0060 -0.0000 2207 LEU 76 HD23 -0.0052 0.0082 0.0004 2208 HIS 77 N 0.0059 -0.0031 -0.0013 2209 HIS 77 CA 0.0091 -0.0056 -0.0019 2210 HIS 77 C 0.0085 -0.0055 -0.0017 2211 HIS 77 O 0.0079 -0.0022 -0.0020 2212 HIS 77 CB 0.0130 -0.0039 -0.0034 2213 HIS 77 CG 0.0140 -0.0043 -0.0037 2214 HIS 77 ND1 0.0115 -0.0029 -0.0031 2215 HIS 77 CD2 0.0173 -0.0060 -0.0044 2216 HIS 77 CE1 0.0133 -0.0039 -0.0035 2217 HIS 77 NE2 0.0168 -0.0057 -0.0043 2218 HIS 77 H 0.0061 -0.0000 -0.0018 2219 HIS 77 HA 0.0090 -0.0088 -0.0013 2220 HIS 77 HB3 0.0154 -0.0054 -0.0039 2221 HIS 77 HB2 0.0131 -0.0007 -0.0040 2222 HIS 77 HD1 0.0089 -0.0014 -0.0025 2223 HIS 77 HD2 0.0200 -0.0075 -0.0050 2224 HIS 77 HE1 0.0120 -0.0032 -0.0032 2225 ARG 78 N 0.0040 -0.0092 0.0051 2226 ARG 78 CA 0.0054 -0.0072 0.0042 2227 ARG 78 C 0.0089 -0.0056 0.0048 2228 ARG 78 O 0.0110 -0.0068 0.0070 2229 ARG 78 CB 0.0051 -0.0088 0.0054 2230 ARG 78 CG 0.0060 -0.0070 0.0043 2231 ARG 78 CD 0.0055 -0.0087 0.0055 2232 ARG 78 NE 0.0068 -0.0071 0.0048 2233 ARG 78 CZ 0.0099 -0.0062 0.0059 2234 ARG 78 NH1 0.0107 -0.0047 0.0050 2235 ARG 78 NH2 0.0121 -0.0068 0.0077 2236 ARG 78 H 0.0042 -0.0111 0.0069 2237 ARG 78 HA 0.0041 -0.0057 0.0022 2238 ARG 78 HB3 0.0066 -0.0102 0.0074 2239 ARG 78 HB2 0.0026 -0.0102 0.0052 2240 ARG 78 HG3 0.0042 -0.0058 0.0023 2241 ARG 78 HG2 0.0083 -0.0054 0.0043 2242 ARG 78 HD3 0.0062 -0.0106 0.0076 2243 ARG 78 HD2 0.0029 -0.0095 0.0047 2244 ARG 78 HH22 0.0145 -0.0059 0.0083 2245 ARG 78 HH21 0.0117 -0.0081 0.0086 2246 ARG 78 HH12 0.0131 -0.0035 0.0054 2247 ARG 78 HH11 0.0092 -0.0043 0.0039 2248 ARG 78 HE 0.0052 -0.0064 0.0034 2249 ASN 79 N 0.0096 -0.0030 0.0030 2250 ASN 79 CA 0.0128 -0.0010 0.0031 2251 ASN 79 C 0.0141 0.0006 0.0025 2252 ASN 79 O 0.0127 0.0022 0.0003 2253 ASN 79 CB 0.0122 0.0008 0.0012 2254 ASN 79 CG 0.0151 0.0032 0.0008 2255 ASN 79 OD1 0.0172 0.0047 0.0007 2256 ASN 79 ND2 0.0152 0.0037 0.0005 2257 ASN 79 H 0.0078 -0.0021 0.0012 2258 ASN 79 HA 0.0143 -0.0022 0.0050 2259 ASN 79 HB3 0.0105 0.0018 -0.0006 2260 ASN 79 HB2 0.0112 -0.0005 0.0018 2261 ASN 79 HD22 0.0171 0.0053 0.0002 2262 ASN 79 HD21 0.0135 0.0026 0.0004 2263 GLU 80 N 0.0073 0.0083 0.0059 2264 GLU 80 CA 0.0092 0.0088 0.0058 2265 GLU 80 C 0.0076 0.0081 0.0058 2266 GLU 80 O 0.0051 0.0083 0.0064 2267 GLU 80 CB 0.0105 0.0117 0.0068 2268 GLU 80 CG 0.0126 0.0123 0.0066 2269 GLU 80 CD 0.0146 0.0148 0.0073 2270 GLU 80 OE1 0.0137 0.0168 0.0083 2271 GLU 80 OE2 0.0173 0.0145 0.0066 2272 GLU 80 H 0.0055 0.0093 0.0067 2273 GLU 80 HA 0.0109 0.0076 0.0049 2274 GLU 80 HB3 0.0089 0.0131 0.0077 2275 GLU 80 HB2 0.0116 0.0120 0.0067 2276 GLU 80 HG3 0.0139 0.0106 0.0057 2277 GLU 80 HG2 0.0115 0.0127 0.0070 2278 ASP 81 N 0.0093 0.0072 0.0051 2279 ASP 81 CA 0.0083 0.0061 0.0048 2280 ASP 81 C 0.0108 0.0064 0.0044 2281 ASP 81 O 0.0129 0.0050 0.0035 2282 ASP 81 CB 0.0072 0.0031 0.0038 2283 ASP 81 CG 0.0061 0.0014 0.0032 2284 ASP 81 OD1 0.0065 0.0020 0.0035 2285 ASP 81 OD2 0.0051 -0.0009 0.0025 2286 ASP 81 H 0.0114 0.0070 0.0046 2287 ASP 81 HA 0.0065 0.0071 0.0056 2288 ASP 81 HB3 0.0090 0.0022 0.0030 2289 ASP 81 HB2 0.0056 0.0031 0.0041 2290 PRO 82 N 0.0043 0.0076 0.0036 2291 PRO 82 CA 0.0066 0.0059 0.0045 2292 PRO 82 C 0.0066 0.0018 0.0037 2293 PRO 82 O 0.0089 0.0001 0.0047 2294 PRO 82 CB 0.0055 0.0077 0.0043 2295 PRO 82 CG 0.0020 0.0087 0.0024 2296 PRO 82 CD 0.0017 0.0096 0.0024 2297 PRO 82 HA 0.0089 0.0065 0.0060 2298 PRO 82 HB3 0.0067 0.0100 0.0054 2299 PRO 82 HB2 0.0060 0.0060 0.0042 2300 PRO 82 HG3 0.0011 0.0108 0.0023 2301 PRO 82 HG2 0.0008 0.0064 0.0013 2302 PRO 82 HD2 -0.0005 0.0090 0.0010 2303 PRO 82 HD3 0.0019 0.0124 0.0031 2304 GLU 83 N 0.0041 0.0004 0.0020 2305 GLU 83 CA 0.0038 -0.0034 0.0011 2306 GLU 83 C 0.0054 -0.0051 0.0017 2307 GLU 83 O 0.0050 -0.0082 0.0009 2308 GLU 83 CB 0.0002 -0.0039 -0.0011 2309 GLU 83 CG -0.0013 -0.0029 -0.0018 2310 GLU 83 CD 0.0000 -0.0052 -0.0015 2311 GLU 83 OE1 0.0000 -0.0085 -0.0021 2312 GLU 83 OE2 0.0012 -0.0038 -0.0005 2313 GLU 83 H 0.0024 0.0020 0.0013 2314 GLU 83 HA 0.0049 -0.0047 0.0015 2315 GLU 83 HB3 -0.0001 -0.0066 -0.0018 2316 GLU 83 HB2 -0.0010 -0.0022 -0.0015 2317 GLU 83 HG3 -0.0038 -0.0031 -0.0033 2318 GLU 83 HG2 -0.0011 -0.0001 -0.0011 2319 ARG 84 N 0.0040 0.0002 0.0012 2320 ARG 84 CA 0.0041 0.0001 0.0013 2321 ARG 84 C 0.0045 0.0001 0.0017 2322 ARG 84 O 0.0046 0.0004 0.0018 2323 ARG 84 CB 0.0040 0.0005 0.0012 2324 ARG 84 CG 0.0041 0.0004 0.0013 2325 ARG 84 CD 0.0039 0.0008 0.0012 2326 ARG 84 NE 0.0039 0.0013 0.0014 2327 ARG 84 CZ 0.0037 0.0017 0.0013 2328 ARG 84 NH1 0.0039 0.0020 0.0014 2329 ARG 84 NH2 0.0034 0.0017 0.0010 2330 ARG 84 H 0.0040 0.0005 0.0013 2331 ARG 84 HA 0.0041 -0.0002 0.0012 2332 ARG 84 HB3 0.0040 0.0008 0.0013 2333 ARG 84 HB2 0.0037 0.0005 0.0010 2334 ARG 84 HG3 0.0040 0.0001 0.0012 2335 ARG 84 HG2 0.0043 0.0004 0.0015 2336 ARG 84 HD3 0.0036 0.0008 0.0010 2337 ARG 84 HD2 0.0040 0.0008 0.0013 2338 ARG 84 HH22 0.0033 0.0020 0.0009 2339 ARG 84 HH21 0.0033 0.0014 0.0008 2340 ARG 84 HH12 0.0037 0.0023 0.0014 2341 ARG 84 HH11 0.0041 0.0020 0.0016 2342 ARG 84 HE 0.0042 0.0013 0.0016 2343 TYR 85 N 0.0047 -0.0001 0.0018 2344 TYR 85 CA 0.0051 -0.0000 0.0021 2345 TYR 85 C 0.0051 0.0000 0.0021 2346 TYR 85 O 0.0050 -0.0003 0.0020 2347 TYR 85 CB 0.0053 -0.0004 0.0022 2348 TYR 85 CG 0.0057 -0.0004 0.0026 2349 TYR 85 CD1 0.0058 -0.0005 0.0027 2350 TYR 85 CD2 0.0059 -0.0003 0.0028 2351 TYR 85 CE1 0.0062 -0.0004 0.0030 2352 TYR 85 CE2 0.0062 -0.0002 0.0031 2353 TYR 85 CZ 0.0064 -0.0003 0.0032 2354 TYR 85 OH 0.0067 -0.0002 0.0035 2355 TYR 85 H 0.0046 -0.0003 0.0016 2356 TYR 85 HA 0.0051 0.0002 0.0022 2357 TYR 85 HB3 0.0053 -0.0008 0.0021 2358 TYR 85 HB2 0.0053 -0.0005 0.0022 2359 TYR 85 HD1 0.0057 -0.0006 0.0025 2360 TYR 85 HD2 0.0058 -0.0002 0.0027 2361 TYR 85 HE1 0.0063 -0.0005 0.0031 2362 TYR 85 HE2 0.0064 -0.0001 0.0033 2363 TYR 85 HH 0.0068 -0.0002 0.0037 2364 PRO 86 N 0.0099 0.0020 0.0005 2365 PRO 86 CA 0.0100 0.0030 0.0013 2366 PRO 86 C 0.0090 0.0037 0.0020 2367 PRO 86 O 0.0079 0.0034 0.0018 2368 PRO 86 CB 0.0097 0.0029 0.0013 2369 PRO 86 CG 0.0100 0.0019 0.0004 2370 PRO 86 CD 0.0095 0.0013 -0.0001 2371 PRO 86 HA 0.0110 0.0033 0.0015 2372 PRO 86 HB3 0.0103 0.0035 0.0017 2373 PRO 86 HB2 0.0087 0.0031 0.0015 2374 PRO 86 HG3 0.0110 0.0018 0.0002 2375 PRO 86 HG2 0.0095 0.0016 0.0002 2376 PRO 86 HD2 0.0085 0.0012 -0.0001 2377 PRO 86 HD3 0.0099 0.0006 -0.0007 2378 SER 87 N 0.0094 0.0046 0.0027 2379 SER 87 CA 0.0086 0.0053 0.0034 2380 SER 87 C 0.0076 0.0056 0.0037 2381 SER 87 O 0.0065 0.0057 0.0039 2382 SER 87 CB 0.0094 0.0062 0.0040 2383 SER 87 OG 0.0101 0.0067 0.0044 2384 SER 87 H 0.0103 0.0049 0.0029 2385 SER 87 HA 0.0081 0.0049 0.0031 2386 SER 87 HB3 0.0101 0.0059 0.0038 2387 SER 87 HB2 0.0088 0.0067 0.0045 2388 SER 87 HG 0.0100 0.0073 0.0050 2389 VAL 88 N 0.0092 0.0076 0.0014 2390 VAL 88 CA 0.0078 0.0072 0.0019 2391 VAL 88 C 0.0069 0.0067 0.0006 2392 VAL 88 O 0.0072 0.0067 -0.0005 2393 VAL 88 CB 0.0077 0.0073 0.0026 2394 VAL 88 CG1 0.0063 0.0069 0.0031 2395 VAL 88 CG2 0.0087 0.0078 0.0039 2396 VAL 88 H 0.0097 0.0077 0.0009 2397 VAL 88 HA 0.0074 0.0072 0.0027 2398 VAL 88 HB 0.0081 0.0073 0.0019 2399 VAL 88 HG11 0.0063 0.0070 0.0038 2400 VAL 88 HG12 0.0056 0.0066 0.0023 2401 VAL 88 HG13 0.0058 0.0068 0.0038 2402 VAL 88 HG21 0.0087 0.0078 0.0044 2403 VAL 88 HG22 0.0084 0.0078 0.0047 2404 VAL 88 HG23 0.0098 0.0081 0.0036 2405 ILE 89 N 0.0057 0.0064 0.0008 2406 ILE 89 CA 0.0045 0.0059 -0.0002 2407 ILE 89 C 0.0033 0.0056 0.0008 2408 ILE 89 O 0.0031 0.0058 0.0020 2409 ILE 89 CB 0.0043 0.0057 -0.0009 2410 ILE 89 CG1 0.0055 0.0060 -0.0020 2411 ILE 89 CG2 0.0029 0.0052 -0.0017 2412 ILE 89 CD1 0.0057 0.0058 -0.0033 2413 ILE 89 H 0.0055 0.0065 0.0017 2414 ILE 89 HA 0.0047 0.0058 -0.0009 2415 ILE 89 HB 0.0043 0.0059 -0.0001 2416 ILE 89 HG13 0.0054 0.0059 -0.0024 2417 ILE 89 HG12 0.0065 0.0063 -0.0015 2418 ILE 89 HG21 0.0029 0.0051 -0.0022 2419 ILE 89 HG22 0.0021 0.0050 -0.0009 2420 ILE 89 HG23 0.0028 0.0050 -0.0025 2421 ILE 89 HD11 0.0065 0.0060 -0.0041 2422 ILE 89 HD12 0.0047 0.0055 -0.0038 2423 ILE 89 HD13 0.0061 0.0060 -0.0029 2424 TRP 90 N -0.0007 0.0023 -0.0025 2425 TRP 90 CA -0.0019 0.0009 -0.0017 2426 TRP 90 C -0.0014 0.0035 -0.0028 2427 TRP 90 O -0.0032 0.0061 -0.0036 2428 TRP 90 CB -0.0058 0.0001 -0.0007 2429 TRP 90 CG -0.0064 -0.0028 0.0006 2430 TRP 90 CD1 -0.0073 -0.0027 0.0007 2431 TRP 90 CD2 -0.0060 -0.0063 0.0020 2432 TRP 90 NE1 -0.0076 -0.0059 0.0021 2433 TRP 90 CE2 -0.0069 -0.0082 0.0029 2434 TRP 90 CE3 -0.0051 -0.0080 0.0025 2435 TRP 90 CZ2 -0.0069 -0.0117 0.0044 2436 TRP 90 CZ3 -0.0051 -0.0115 0.0040 2437 TRP 90 CH2 -0.0061 -0.0133 0.0049 2438 TRP 90 H -0.0023 0.0041 -0.0029 2439 TRP 90 HA -0.0004 -0.0014 -0.0010 2440 TRP 90 HB3 -0.0069 -0.0004 -0.0003 2441 TRP 90 HB2 -0.0074 0.0023 -0.0013 2442 TRP 90 HD1 -0.0077 -0.0005 -0.0001 2443 TRP 90 HE1 -0.0085 -0.0064 0.0025 2444 TRP 90 HE3 -0.0043 -0.0066 0.0018 2445 TRP 90 HZ2 -0.0077 -0.0131 0.0051 2446 TRP 90 HZ3 -0.0045 -0.0127 0.0044 2447 TRP 90 HH2 -0.0062 -0.0160 0.0060 2448 GLU 91 N 0.0009 0.0026 -0.0029 2449 GLU 91 CA 0.0018 0.0049 -0.0040 2450 GLU 91 C 0.0002 0.0038 -0.0033 2451 GLU 91 O 0.0009 0.0010 -0.0022 2452 GLU 91 CB 0.0058 0.0050 -0.0047 2453 GLU 91 CG 0.0070 0.0070 -0.0057 2454 GLU 91 CD 0.0107 0.0080 -0.0068 2455 GLU 91 OE1 0.0131 0.0060 -0.0064 2456 GLU 91 OE2 0.0113 0.0107 -0.0080 2457 GLU 91 H 0.0021 0.0003 -0.0022 2458 GLU 91 HA 0.0008 0.0074 -0.0048 2459 GLU 91 HB3 0.0072 0.0025 -0.0040 2460 GLU 91 HB2 0.0067 0.0063 -0.0054 2461 GLU 91 HG3 0.0052 0.0092 -0.0063 2462 GLU 91 HG2 0.0068 0.0055 -0.0051 2463 ALA 92 N 0.0029 0.0070 -0.0050 2464 ALA 92 CA 0.0022 0.0081 -0.0048 2465 ALA 92 C 0.0041 0.0089 -0.0065 2466 ALA 92 O 0.0052 0.0104 -0.0078 2467 ALA 92 CB 0.0005 0.0106 -0.0040 2468 ALA 92 H 0.0026 0.0083 -0.0051 2469 ALA 92 HA 0.0015 0.0067 -0.0038 2470 ALA 92 HB1 -0.0000 0.0116 -0.0038 2471 ALA 92 HB2 -0.0009 0.0101 -0.0027 2472 ALA 92 HB3 0.0011 0.0121 -0.0049 2473 LYS 93 N 0.0044 0.0081 -0.0066 2474 LYS 93 CA 0.0058 0.0092 -0.0080 2475 LYS 93 C 0.0043 0.0103 -0.0071 2476 LYS 93 O 0.0030 0.0090 -0.0057 2477 LYS 93 CB 0.0076 0.0069 -0.0089 2478 LYS 93 CG 0.0091 0.0055 -0.0097 2479 LYS 93 CD 0.0102 0.0073 -0.0111 2480 LYS 93 CE 0.0120 0.0057 -0.0122 2481 LYS 93 NZ 0.0129 0.0074 -0.0133 2482 LYS 93 H 0.0035 0.0068 -0.0055 2483 LYS 93 HA 0.0065 0.0108 -0.0090 2484 LYS 93 HB3 0.0086 0.0078 -0.0099 2485 LYS 93 HB2 0.0068 0.0054 -0.0079 2486 LYS 93 HG3 0.0103 0.0040 -0.0103 2487 LYS 93 HG2 0.0082 0.0043 -0.0087 2488 LYS 93 HD3 0.0090 0.0084 -0.0104 2489 LYS 93 HD2 0.0108 0.0088 -0.0120 2490 LYS 93 HE3 0.0133 0.0049 -0.0130 2491 LYS 93 HE2 0.0115 0.0041 -0.0113 2492 LYS 93 HZ1 0.0118 0.0078 -0.0125 2493 LYS 93 HZ2 0.0142 0.0063 -0.0141 2494 LYS 93 HZ3 0.0132 0.0091 -0.0140 2495 CYS 94 N 0.0065 0.0064 -0.0065 2496 CYS 94 CA 0.0042 0.0068 -0.0060 2497 CYS 94 C 0.0037 0.0062 -0.0043 2498 CYS 94 O 0.0048 0.0059 -0.0042 2499 CYS 94 CB 0.0031 0.0079 -0.0079 2500 CYS 94 SG 0.0039 0.0087 -0.0102 2501 CYS 94 H 0.0071 0.0068 -0.0079 2502 CYS 94 HA 0.0035 0.0068 -0.0055 2503 CYS 94 HB3 0.0014 0.0083 -0.0076 2504 CYS 94 HB2 0.0034 0.0080 -0.0082 2505 ARG 95 N 0.0020 0.0061 -0.0029 2506 ARG 95 CA 0.0015 0.0054 -0.0010 2507 ARG 95 C 0.0003 0.0059 -0.0013 2508 ARG 95 O 0.0003 0.0053 -0.0000 2509 ARG 95 CB 0.0004 0.0051 0.0005 2510 ARG 95 CG -0.0000 0.0042 0.0027 2511 ARG 95 CD -0.0013 0.0040 0.0042 2512 ARG 95 NE -0.0003 0.0037 0.0042 2513 ARG 95 CZ -0.0011 0.0036 0.0049 2514 ARG 95 NH1 -0.0031 0.0038 0.0059 2515 ARG 95 NH2 0.0000 0.0034 0.0046 2516 ARG 95 H 0.0011 0.0064 -0.0031 2517 ARG 95 HA 0.0030 0.0047 -0.0004 2518 ARG 95 HB3 -0.0012 0.0057 0.0000 2519 ARG 95 HB2 0.0013 0.0048 0.0005 2520 ARG 95 HG3 0.0014 0.0036 0.0033 2521 ARG 95 HG2 -0.0010 0.0045 0.0027 2522 ARG 95 HD3 -0.0012 0.0033 0.0057 2523 ARG 95 HD2 -0.0030 0.0045 0.0039 2524 ARG 95 HH22 -0.0005 0.0033 0.0053 2525 ARG 95 HH21 0.0013 0.0035 0.0036 2526 ARG 95 HH12 -0.0037 0.0037 0.0064 2527 ARG 95 HH11 -0.0040 0.0040 0.0060 2528 ARG 95 HE 0.0013 0.0034 0.0037 2529 HIS 96 N 0.0013 -0.0039 -0.0024 2530 HIS 96 CA 0.0006 -0.0009 -0.0043 2531 HIS 96 C 0.0018 0.0014 -0.0079 2532 HIS 96 O 0.0023 0.0013 -0.0084 2533 HIS 96 CB -0.0029 0.0015 -0.0020 2534 HIS 96 CG -0.0043 -0.0006 0.0018 2535 HIS 96 ND1 -0.0036 -0.0025 0.0027 2536 HIS 96 CD2 -0.0064 -0.0012 0.0051 2537 HIS 96 CE1 -0.0052 -0.0042 0.0062 2538 HIS 96 NE2 -0.0069 -0.0036 0.0079 2539 HIS 96 H 0.0011 -0.0032 -0.0029 2540 HIS 96 HA 0.0019 -0.0022 -0.0048 2541 HIS 96 HB3 -0.0033 0.0036 -0.0032 2542 HIS 96 HB2 -0.0041 0.0030 -0.0018 2543 HIS 96 HD1 -0.0021 -0.0028 0.0009 2544 HIS 96 HD2 -0.0076 -0.0001 0.0056 2545 HIS 96 HE1 -0.0051 -0.0059 0.0076 2546 LEU 97 N 0.0021 0.0036 -0.0103 2547 LEU 97 CA 0.0027 0.0065 -0.0137 2548 LEU 97 C -0.0003 0.0100 -0.0130 2549 LEU 97 O -0.0004 0.0116 -0.0142 2550 LEU 97 CB 0.0042 0.0074 -0.0164 2551 LEU 97 CG 0.0074 0.0041 -0.0175 2552 LEU 97 CD1 0.0084 0.0050 -0.0197 2553 LEU 97 CD2 0.0098 0.0028 -0.0196 2554 LEU 97 H 0.0018 0.0034 -0.0097 2555 LEU 97 HA 0.0043 0.0055 -0.0148 2556 LEU 97 HB3 0.0044 0.0097 -0.0188 2557 LEU 97 HB2 0.0026 0.0084 -0.0152 2558 LEU 97 HG 0.0072 0.0017 -0.0151 2559 LEU 97 HD11 0.0106 0.0027 -0.0204 2560 LEU 97 HD12 0.0067 0.0058 -0.0182 2561 LEU 97 HD13 0.0087 0.0074 -0.0222 2562 LEU 97 HD21 0.0119 0.0027 -0.0221 2563 LEU 97 HD22 0.0090 0.0047 -0.0202 2564 LEU 97 HD23 0.0105 0.0001 -0.0180 2565 GLY 98 N -0.0021 0.0033 -0.0078 2566 GLY 98 CA -0.0036 0.0040 -0.0080 2567 GLY 98 C -0.0035 0.0038 -0.0071 2568 GLY 98 O -0.0022 0.0031 -0.0066 2569 GLY 98 H -0.0021 0.0031 -0.0068 2570 GLY 98 HA3 -0.0046 0.0043 -0.0074 2571 GLY 98 HA2 -0.0038 0.0044 -0.0093 2572 CYS 99 N -0.0048 0.0043 -0.0070 2573 CYS 99 CA -0.0049 0.0042 -0.0061 2574 CYS 99 C -0.0061 0.0043 -0.0046 2575 CYS 99 O -0.0072 0.0049 -0.0045 2576 CYS 99 CB -0.0054 0.0047 -0.0073 2577 CYS 99 SG -0.0042 0.0046 -0.0093 2578 CYS 99 H -0.0058 0.0049 -0.0072 2579 CYS 99 HA -0.0037 0.0036 -0.0057 2580 CYS 99 HB3 -0.0055 0.0046 -0.0067 2581 CYS 99 HB2 -0.0066 0.0053 -0.0076 2582 ILE 100 N -0.0193 -0.0074 0.0075 2583 ILE 100 CA -0.0195 -0.0076 0.0075 2584 ILE 100 C -0.0199 -0.0084 0.0066 2585 ILE 100 O -0.0196 -0.0084 0.0057 2586 ILE 100 CB -0.0189 -0.0069 0.0074 2587 ILE 100 CG1 -0.0185 -0.0061 0.0082 2588 ILE 100 CG2 -0.0191 -0.0071 0.0074 2589 ILE 100 CD1 -0.0190 -0.0062 0.0093 2590 ILE 100 H -0.0188 -0.0069 0.0071 2591 ILE 100 HA -0.0199 -0.0078 0.0083 2592 ILE 100 HB -0.0185 -0.0068 0.0066 2593 ILE 100 HG13 -0.0181 -0.0056 0.0081 2594 ILE 100 HG12 -0.0182 -0.0059 0.0081 2595 ILE 100 HG21 -0.0186 -0.0066 0.0074 2596 ILE 100 HG22 -0.0192 -0.0076 0.0067 2597 ILE 100 HG23 -0.0195 -0.0074 0.0080 2598 ILE 100 HD11 -0.0186 -0.0056 0.0099 2599 ILE 100 HD12 -0.0194 -0.0067 0.0094 2600 ILE 100 HD13 -0.0192 -0.0065 0.0096 2601 ASN 101 N -0.0205 -0.0091 0.0069 2602 ASN 101 CA -0.0210 -0.0099 0.0063 2603 ASN 101 C -0.0208 -0.0098 0.0058 2604 ASN 101 O -0.0203 -0.0092 0.0061 2605 ASN 101 CB -0.0217 -0.0106 0.0068 2606 ASN 101 CG -0.0221 -0.0108 0.0075 2607 ASN 101 OD1 -0.0218 -0.0103 0.0079 2608 ASN 101 ND2 -0.0228 -0.0116 0.0078 2609 ASN 101 H -0.0207 -0.0090 0.0077 2610 ASN 101 HA -0.0208 -0.0100 0.0056 2611 ASN 101 HB3 -0.0218 -0.0105 0.0073 2612 ASN 101 HB2 -0.0220 -0.0112 0.0062 2613 ASN 101 HD22 -0.0231 -0.0118 0.0081 2614 ASN 101 HD21 -0.0231 -0.0120 0.0075 2615 ALA 102 N 0.0012 -0.0222 0.0342 2616 ALA 102 CA 0.0131 -0.0173 0.0310 2617 ALA 102 C 0.0156 -0.0064 0.0163 2618 ALA 102 O 0.0193 -0.0021 0.0114 2619 ALA 102 CB 0.0287 -0.0200 0.0395 2620 ALA 102 H 0.0051 -0.0257 0.0404 2621 ALA 102 HA 0.0092 -0.0199 0.0334 2622 ALA 102 HB1 0.0376 -0.0167 0.0376 2623 ALA 102 HB2 0.0274 -0.0276 0.0499 2624 ALA 102 HB3 0.0332 -0.0175 0.0375 2625 ASP 103 N 0.0130 -0.0022 0.0097 2626 ASP 103 CA 0.0141 0.0080 -0.0044 2627 ASP 103 C 0.0000 0.0110 -0.0129 2628 ASP 103 O 0.0004 0.0195 -0.0248 2629 ASP 103 CB 0.0154 0.0112 -0.0085 2630 ASP 103 CG 0.0262 0.0070 0.0007 2631 ASP 103 OD1 0.0385 0.0055 0.0067 2632 ASP 103 OD2 0.0224 0.0058 0.0012 2633 ASP 103 H 0.0106 -0.0061 0.0144 2634 ASP 103 HA 0.0247 0.0119 -0.0066 2635 ASP 103 HB3 0.0200 0.0189 -0.0179 2636 ASP 103 HB2 0.0038 0.0097 -0.0100 2637 GLY 104 N -0.0203 -0.0058 0.0050 2638 GLY 104 CA -0.0292 -0.0080 -0.0001 2639 GLY 104 C -0.0319 -0.0078 -0.0052 2640 GLY 104 O -0.0381 -0.0087 -0.0115 2641 GLY 104 H -0.0200 -0.0073 0.0118 2642 GLY 104 HA3 -0.0294 -0.0069 -0.0052 2643 GLY 104 HA2 -0.0342 -0.0110 0.0049 2644 ASN 105 N -0.0272 -0.0066 -0.0027 2645 ASN 105 CA -0.0290 -0.0064 -0.0067 2646 ASN 105 C -0.0343 -0.0099 0.0002 2647 ASN 105 O -0.0340 -0.0117 0.0086 2648 ASN 105 CB -0.0199 -0.0026 -0.0084 2649 ASN 105 CG -0.0151 0.0012 -0.0169 2650 ASN 105 OD1 -0.0098 0.0040 -0.0208 2651 ASN 105 ND2 -0.0168 0.0013 -0.0202 2652 ASN 105 H -0.0227 -0.0062 0.0031 2653 ASN 105 HA -0.0331 -0.0063 -0.0135 2654 ASN 105 HB3 -0.0210 -0.0027 -0.0096 2655 ASN 105 HB2 -0.0151 -0.0022 -0.0021 2656 ASN 105 HD22 -0.0133 0.0038 -0.0255 2657 ASN 105 HD21 -0.0208 -0.0010 -0.0169 2658 VAL 106 N -0.0134 -0.0068 -0.0055 2659 VAL 106 CA -0.0129 -0.0057 -0.0051 2660 VAL 106 C -0.0129 -0.0062 -0.0048 2661 VAL 106 O -0.0126 -0.0071 -0.0040 2662 VAL 106 CB -0.0122 -0.0051 -0.0040 2663 VAL 106 CG1 -0.0117 -0.0039 -0.0036 2664 VAL 106 CG2 -0.0122 -0.0046 -0.0041 2665 VAL 106 H -0.0131 -0.0073 -0.0048 2666 VAL 106 HA -0.0132 -0.0048 -0.0058 2667 VAL 106 HB -0.0119 -0.0059 -0.0032 2668 VAL 106 HG11 -0.0112 -0.0034 -0.0028 2669 VAL 106 HG12 -0.0116 -0.0042 -0.0033 2670 VAL 106 HG13 -0.0119 -0.0031 -0.0043 2671 VAL 106 HG21 -0.0116 -0.0043 -0.0033 2672 VAL 106 HG22 -0.0124 -0.0037 -0.0048 2673 VAL 106 HG23 -0.0125 -0.0054 -0.0044 2674 ASP 107 N -0.0131 -0.0056 -0.0055 2675 ASP 107 CA -0.0130 -0.0057 -0.0052 2676 ASP 107 C -0.0123 -0.0046 -0.0043 2677 ASP 107 O -0.0122 -0.0034 -0.0047 2678 ASP 107 CB -0.0136 -0.0056 -0.0063 2679 ASP 107 CG -0.0135 -0.0056 -0.0060 2680 ASP 107 OD1 -0.0131 -0.0062 -0.0051 2681 ASP 107 OD2 -0.0138 -0.0050 -0.0068 2682 ASP 107 H -0.0133 -0.0048 -0.0061 2683 ASP 107 HA -0.0129 -0.0067 -0.0047 2684 ASP 107 HB3 -0.0137 -0.0046 -0.0069 2685 ASP 107 HB2 -0.0141 -0.0064 -0.0069 2686 TYR 108 N -0.0033 -0.0058 -0.0143 2687 TYR 108 CA -0.0041 -0.0006 -0.0048 2688 TYR 108 C -0.0025 -0.0002 0.0024 2689 TYR 108 O -0.0037 0.0048 0.0101 2690 TYR 108 CB -0.0009 -0.0039 -0.0004 2691 TYR 108 CG -0.0035 -0.0021 -0.0060 2692 TYR 108 CD1 -0.0079 0.0059 -0.0037 2693 TYR 108 CD2 -0.0016 -0.0082 -0.0137 2694 TYR 108 CE1 -0.0104 0.0077 -0.0090 2695 TYR 108 CE2 -0.0042 -0.0063 -0.0191 2696 TYR 108 CZ -0.0086 0.0016 -0.0167 2697 TYR 108 OH -0.0111 0.0034 -0.0220 2698 TYR 108 H 0.0007 -0.0123 -0.0147 2699 TYR 108 HA -0.0086 0.0061 -0.0060 2700 TYR 108 HB3 -0.0008 -0.0009 0.0072 2701 TYR 108 HB2 0.0036 -0.0108 0.0000 2702 TYR 108 HD1 -0.0093 0.0106 0.0022 2703 TYR 108 HD2 0.0016 -0.0142 -0.0158 2704 TYR 108 HE1 -0.0137 0.0138 -0.0071 2705 TYR 108 HE2 -0.0028 -0.0109 -0.0251 2706 TYR 108 HH -0.0133 0.0083 -0.0190 2707 HIS 109 N 0.0001 -0.0052 0.0001 2708 HIS 109 CA 0.0014 -0.0047 0.0063 2709 HIS 109 C -0.0040 0.0035 0.0057 2710 HIS 109 O -0.0040 0.0065 0.0127 2711 HIS 109 CB 0.0058 -0.0128 0.0037 2712 HIS 109 CG 0.0112 -0.0211 0.0046 2713 HIS 109 ND1 0.0122 -0.0260 -0.0035 2714 HIS 109 CD2 0.0160 -0.0255 0.0124 2715 HIS 109 CE1 0.0174 -0.0329 -0.0004 2716 HIS 109 NE2 0.0199 -0.0330 0.0093 2717 HIS 109 H 0.0009 -0.0092 -0.0064 2718 HIS 109 HA 0.0033 -0.0045 0.0140 2719 HIS 109 HB3 0.0068 -0.0124 0.0086 2720 HIS 109 HB2 0.0040 -0.0130 -0.0037 2721 HIS 109 HD1 0.0093 -0.0242 -0.0105 2722 HIS 109 HD2 0.0170 -0.0239 0.0201 2723 HIS 109 HE1 0.0192 -0.0377 -0.0052 2724 MET 110 N 0.0014 0.0056 -0.0065 2725 MET 110 CA 0.0025 0.0052 -0.0068 2726 MET 110 C 0.0023 0.0062 -0.0065 2727 MET 110 O 0.0014 0.0073 -0.0060 2728 MET 110 CB 0.0042 0.0055 -0.0070 2729 MET 110 CG 0.0045 0.0045 -0.0074 2730 MET 110 SD 0.0045 0.0024 -0.0081 2731 MET 110 CE 0.0064 0.0023 -0.0084 2732 MET 110 H 0.0016 0.0067 -0.0062 2733 MET 110 HA 0.0023 0.0040 -0.0072 2734 MET 110 HB3 0.0051 0.0052 -0.0073 2735 MET 110 HB2 0.0044 0.0067 -0.0067 2736 MET 110 HG3 0.0057 0.0048 -0.0075 2737 MET 110 HG2 0.0036 0.0047 -0.0072 2738 MET 110 HE1 0.0066 0.0011 -0.0089 2739 MET 110 HE2 0.0073 0.0027 -0.0085 2740 MET 110 HE3 0.0065 0.0030 -0.0082 2741 ASN 111 N 0.0030 0.0057 -0.0068 2742 ASN 111 CA 0.0027 0.0064 -0.0065 2743 ASN 111 C 0.0044 0.0068 -0.0067 2744 ASN 111 O 0.0053 0.0057 -0.0072 2745 ASN 111 CB 0.0017 0.0053 -0.0067 2746 ASN 111 CG -0.0000 0.0050 -0.0065 2747 ASN 111 OD1 -0.0008 0.0040 -0.0067 2748 ASN 111 ND2 -0.0007 0.0057 -0.0061 2749 ASN 111 H 0.0037 0.0048 -0.0072 2750 ASN 111 HA 0.0021 0.0075 -0.0061 2751 ASN 111 HB3 0.0018 0.0058 -0.0065 2752 ASN 111 HB2 0.0023 0.0042 -0.0071 2753 ASN 111 HD22 -0.0019 0.0055 -0.0060 2754 ASN 111 HD21 -0.0001 0.0065 -0.0060 2755 SER 112 N 0.0029 0.0041 -0.0074 2756 SER 112 CA 0.0034 0.0040 -0.0072 2757 SER 112 C 0.0024 0.0030 -0.0073 2758 SER 112 O 0.0012 0.0033 -0.0076 2759 SER 112 CB 0.0034 0.0053 -0.0075 2760 SER 112 OG 0.0045 0.0062 -0.0074 2761 SER 112 H 0.0023 0.0048 -0.0076 2762 SER 112 HA 0.0044 0.0036 -0.0069 2763 SER 112 HB3 0.0035 0.0053 -0.0075 2764 SER 112 HB2 0.0025 0.0058 -0.0078 2765 SER 112 HG 0.0042 0.0067 -0.0076 2766 VAL 113 N 0.0028 0.0020 -0.0070 2767 VAL 113 CA 0.0020 0.0010 -0.0070 2768 VAL 113 C 0.0026 0.0008 -0.0068 2769 VAL 113 O 0.0038 0.0007 -0.0065 2770 VAL 113 CB 0.0018 -0.0003 -0.0068 2771 VAL 113 CG1 0.0009 -0.0002 -0.0070 2772 VAL 113 CG2 0.0031 -0.0010 -0.0063 2773 VAL 113 H 0.0038 0.0017 -0.0067 2774 VAL 113 HA 0.0010 0.0015 -0.0073 2775 VAL 113 HB 0.0012 -0.0010 -0.0067 2776 VAL 113 HG11 0.0007 -0.0011 -0.0068 2777 VAL 113 HG12 -0.0000 0.0003 -0.0073 2778 VAL 113 HG13 0.0014 0.0005 -0.0070 2779 VAL 113 HG21 0.0029 -0.0019 -0.0062 2780 VAL 113 HG22 0.0037 -0.0004 -0.0063 2781 VAL 113 HG23 0.0036 -0.0013 -0.0062 2782 PRO 114 N 0.0023 0.0028 -0.0077 2783 PRO 114 CA 0.0020 0.0028 -0.0077 2784 PRO 114 C 0.0023 0.0016 -0.0067 2785 PRO 114 O 0.0017 0.0008 -0.0060 2786 PRO 114 CB 0.0004 0.0032 -0.0080 2787 PRO 114 CG -0.0003 0.0028 -0.0077 2788 PRO 114 CD 0.0009 0.0029 -0.0078 2789 PRO 114 HA 0.0027 0.0034 -0.0082 2790 PRO 114 HB3 0.0004 0.0041 -0.0088 2791 PRO 114 HB2 -0.0002 0.0028 -0.0077 2792 PRO 114 HG3 -0.0013 0.0033 -0.0081 2793 PRO 114 HG2 -0.0006 0.0019 -0.0069 2794 PRO 114 HD2 0.0008 0.0023 -0.0073 2795 PRO 114 HD3 0.0009 0.0038 -0.0085 2796 ILE 115 N 0.0030 0.0015 -0.0066 2797 ILE 115 CA 0.0031 0.0005 -0.0058 2798 ILE 115 C 0.0018 0.0006 -0.0058 2799 ILE 115 O 0.0018 0.0013 -0.0064 2800 ILE 115 CB 0.0046 0.0005 -0.0058 2801 ILE 115 CG1 0.0059 0.0005 -0.0058 2802 ILE 115 CG2 0.0047 -0.0006 -0.0049 2803 ILE 115 CD1 0.0074 0.0007 -0.0059 2804 ILE 115 H 0.0033 0.0023 -0.0073 2805 ILE 115 HA 0.0030 -0.0002 -0.0052 2806 ILE 115 HB 0.0046 0.0012 -0.0064 2807 ILE 115 HG13 0.0058 0.0012 -0.0064 2808 ILE 115 HG12 0.0060 -0.0002 -0.0052 2809 ILE 115 HG21 0.0057 -0.0006 -0.0048 2810 ILE 115 HG22 0.0038 -0.0006 -0.0048 2811 ILE 115 HG23 0.0046 -0.0014 -0.0042 2812 ILE 115 HD11 0.0082 -0.0000 -0.0054 2813 ILE 115 HD12 0.0079 0.0015 -0.0066 2814 ILE 115 HD13 0.0073 0.0007 -0.0060 2815 GLN 116 N 0.0006 0.0022 -0.0057 2816 GLN 116 CA -0.0009 0.0019 -0.0057 2817 GLN 116 C -0.0016 0.0017 -0.0044 2818 GLN 116 O -0.0011 0.0019 -0.0032 2819 GLN 116 CB -0.0010 0.0018 -0.0058 2820 GLN 116 CG -0.0003 0.0019 -0.0072 2821 GLN 116 CD -0.0007 0.0018 -0.0075 2822 GLN 116 OE1 -0.0015 0.0016 -0.0084 2823 GLN 116 NE2 -0.0001 0.0020 -0.0066 2824 GLN 116 H 0.0012 0.0024 -0.0051 2825 GLN 116 HA -0.0014 0.0017 -0.0067 2826 GLN 116 HB3 -0.0021 0.0016 -0.0058 2827 GLN 116 HB2 -0.0005 0.0020 -0.0049 2828 GLN 116 HG3 0.0008 0.0022 -0.0072 2829 GLN 116 HG2 -0.0007 0.0018 -0.0081 2830 GLN 116 HE22 -0.0003 0.0019 -0.0068 2831 GLN 116 HE21 0.0006 0.0022 -0.0059 2832 GLN 117 N -0.0028 0.0014 -0.0046 2833 GLN 117 CA -0.0038 0.0012 -0.0034 2834 GLN 117 CA -0.0038 0.0012 -0.0034 2835 GLN 117 C -0.0049 0.0010 -0.0033 2836 GLN 117 O -0.0054 0.0008 -0.0044 2837 GLN 117 CB -0.0044 0.0011 -0.0039 2838 GLN 117 CB -0.0042 0.0011 -0.0035 2839 GLN 117 CG -0.0052 0.0009 -0.0027 2840 GLN 117 CG -0.0052 0.0009 -0.0024 2841 GLN 117 CD -0.0058 0.0008 -0.0032 2842 GLN 117 CD -0.0047 0.0011 -0.0008 2843 GLN 117 OE1 -0.0061 0.0006 -0.0044 2844 GLN 117 OE1 -0.0036 0.0014 -0.0005 2845 GLN 117 NE2 -0.0061 0.0007 -0.0022 2846 GLN 117 NE2 -0.0056 0.0009 0.0002 2847 GLN 117 H -0.0032 0.0013 -0.0056 2848 GLN 117 HA -0.0032 0.0014 -0.0024 2849 GLN 117 HA -0.0033 0.0014 -0.0023 2850 GLN 117 HB3 -0.0052 0.0009 -0.0048 2851 GLN 117 HB3 -0.0046 0.0010 -0.0046 2852 GLN 117 HB2 -0.0036 0.0012 -0.0044 2853 GLN 117 HB2 -0.0032 0.0014 -0.0035 2854 GLN 117 HG3 -0.0044 0.0011 -0.0018 2855 GLN 117 HG3 -0.0062 0.0007 -0.0025 2856 GLN 117 HG2 -0.0060 0.0007 -0.0022 2857 GLN 117 HG2 -0.0055 0.0008 -0.0027 2858 GLN 117 HE22 -0.0066 0.0006 -0.0025 2859 GLN 117 HE22 -0.0054 0.0010 0.0012 2860 GLN 117 HE21 -0.0059 0.0008 -0.0011 2861 GLN 117 HE21 -0.0065 0.0007 -0.0002 2862 GLU 118 N -0.0048 0.0026 -0.0034 2863 GLU 118 CA -0.0045 0.0024 -0.0036 2864 GLU 118 C -0.0045 0.0021 -0.0033 2865 GLU 118 O -0.0046 0.0021 -0.0031 2866 GLU 118 CB -0.0045 0.0024 -0.0039 2867 GLU 118 CG -0.0045 0.0027 -0.0043 2868 GLU 118 CD -0.0044 0.0027 -0.0046 2869 GLU 118 OE1 -0.0044 0.0026 -0.0046 2870 GLU 118 OE2 -0.0043 0.0027 -0.0050 2871 GLU 118 H -0.0049 0.0028 -0.0034 2872 GLU 118 HA -0.0044 0.0023 -0.0037 2873 GLU 118 HB3 -0.0043 0.0022 -0.0040 2874 GLU 118 HB2 -0.0046 0.0026 -0.0038 2875 GLU 118 HG3 -0.0047 0.0029 -0.0043 2876 GLU 118 HG2 -0.0044 0.0026 -0.0044 2877 ILE 119 N -0.0043 0.0018 -0.0033 2878 ILE 119 CA -0.0042 0.0015 -0.0030 2879 ILE 119 C -0.0039 0.0012 -0.0032 2880 ILE 119 O -0.0038 0.0012 -0.0035 2881 ILE 119 CB -0.0042 0.0014 -0.0027 2882 ILE 119 CG1 -0.0041 0.0012 -0.0027 2883 ILE 119 CG2 -0.0045 0.0017 -0.0024 2884 ILE 119 CD1 -0.0041 0.0010 -0.0023 2885 ILE 119 H -0.0042 0.0017 -0.0034 2886 ILE 119 HA -0.0042 0.0015 -0.0029 2887 ILE 119 HB -0.0041 0.0012 -0.0025 2888 ILE 119 HG13 -0.0039 0.0010 -0.0029 2889 ILE 119 HG12 -0.0042 0.0014 -0.0029 2890 ILE 119 HG21 -0.0045 0.0016 -0.0021 2891 ILE 119 HG22 -0.0046 0.0018 -0.0024 2892 ILE 119 HG23 -0.0046 0.0018 -0.0026 2893 ILE 119 HD11 -0.0039 0.0009 -0.0024 2894 ILE 119 HD12 -0.0041 0.0009 -0.0022 2895 ILE 119 HD13 -0.0042 0.0012 -0.0022 2896 LEU 120 N -0.0023 -0.0009 -0.0019 2897 LEU 120 CA -0.0019 -0.0014 -0.0021 2898 LEU 120 C -0.0017 -0.0016 -0.0016 2899 LEU 120 O -0.0018 -0.0014 -0.0011 2900 LEU 120 CB -0.0016 -0.0016 -0.0022 2901 LEU 120 CG -0.0018 -0.0015 -0.0027 2902 LEU 120 CD1 -0.0015 -0.0018 -0.0026 2903 LEU 120 CD2 -0.0018 -0.0015 -0.0033 2904 LEU 120 H -0.0023 -0.0009 -0.0016 2905 LEU 120 HA -0.0019 -0.0014 -0.0025 2906 LEU 120 HB3 -0.0013 -0.0020 -0.0022 2907 LEU 120 HB2 -0.0016 -0.0016 -0.0017 2908 LEU 120 HG -0.0021 -0.0012 -0.0026 2909 LEU 120 HD11 -0.0017 -0.0016 -0.0026 2910 LEU 120 HD12 -0.0013 -0.0020 -0.0023 2911 LEU 120 HD13 -0.0013 -0.0020 -0.0030 2912 LEU 120 HD21 -0.0017 -0.0016 -0.0036 2913 LEU 120 HD22 -0.0016 -0.0017 -0.0033 2914 LEU 120 HD23 -0.0021 -0.0012 -0.0034 2915 VAL 121 N -0.0014 -0.0019 -0.0018 2916 VAL 121 CA -0.0012 -0.0021 -0.0014 2917 VAL 121 C -0.0008 -0.0026 -0.0017 2918 VAL 121 O -0.0007 -0.0026 -0.0022 2919 VAL 121 CB -0.0013 -0.0019 -0.0013 2920 VAL 121 CG1 -0.0017 -0.0015 -0.0010 2921 VAL 121 CG2 -0.0014 -0.0019 -0.0019 2922 VAL 121 H -0.0014 -0.0019 -0.0022 2923 VAL 121 HA -0.0012 -0.0021 -0.0010 2924 VAL 121 HB -0.0011 -0.0021 -0.0010 2925 VAL 121 HG11 -0.0018 -0.0014 -0.0009 2926 VAL 121 HG12 -0.0017 -0.0015 -0.0006 2927 VAL 121 HG13 -0.0020 -0.0012 -0.0012 2928 VAL 121 HG21 -0.0015 -0.0018 -0.0018 2929 VAL 121 HG22 -0.0016 -0.0017 -0.0022 2930 VAL 121 HG23 -0.0011 -0.0022 -0.0021 2931 LEU 122 N -0.0002 -0.0045 0.0001 2932 LEU 122 CA 0.0001 -0.0041 0.0002 2933 LEU 122 C 0.0003 -0.0041 0.0007 2934 LEU 122 O 0.0002 -0.0043 0.0009 2935 LEU 122 CB 0.0002 -0.0039 -0.0001 2936 LEU 122 CG 0.0001 -0.0038 -0.0006 2937 LEU 122 CD1 0.0002 -0.0036 -0.0008 2938 LEU 122 CD2 0.0003 -0.0036 -0.0008 2939 LEU 122 H -0.0002 -0.0046 0.0001 2940 LEU 122 HA 0.0002 -0.0040 0.0001 2941 LEU 122 HB3 0.0005 -0.0036 0.0000 2942 LEU 122 HB2 0.0002 -0.0040 0.0000 2943 LEU 122 HG -0.0001 -0.0041 -0.0007 2944 LEU 122 HD11 0.0001 -0.0037 -0.0011 2945 LEU 122 HD12 0.0003 -0.0037 -0.0006 2946 LEU 122 HD13 0.0004 -0.0033 -0.0009 2947 LEU 122 HD21 0.0002 -0.0035 -0.0011 2948 LEU 122 HD22 0.0005 -0.0034 -0.0006 2949 LEU 122 HD23 0.0001 -0.0038 -0.0007 2950 ARG 123 N 0.0005 -0.0040 0.0009 2951 ARG 123 CA 0.0006 -0.0039 0.0014 2952 ARG 123 C 0.0009 -0.0035 0.0013 2953 ARG 123 O 0.0010 -0.0032 0.0011 2954 ARG 123 CB 0.0006 -0.0040 0.0017 2955 ARG 123 CG 0.0008 -0.0039 0.0021 2956 ARG 123 CD 0.0007 -0.0042 0.0025 2957 ARG 123 NE 0.0004 -0.0046 0.0025 2958 ARG 123 CZ 0.0003 -0.0048 0.0026 2959 ARG 123 NH1 0.0004 -0.0047 0.0028 2960 ARG 123 NH2 0.0000 -0.0052 0.0026 2961 ARG 123 H 0.0005 -0.0038 0.0007 2962 ARG 123 HA 0.0006 -0.0040 0.0015 2963 ARG 123 HB3 0.0007 -0.0039 0.0015 2964 ARG 123 HB2 0.0004 -0.0043 0.0016 2965 ARG 123 HG3 0.0008 -0.0039 0.0023 2966 ARG 123 HG2 0.0010 -0.0037 0.0021 2967 ARG 123 HD3 0.0009 -0.0041 0.0028 2968 ARG 123 HD2 0.0008 -0.0041 0.0025 2969 ARG 123 HH22 -0.0001 -0.0053 0.0027 2970 ARG 123 HH21 -0.0001 -0.0053 0.0024 2971 ARG 123 HH12 0.0003 -0.0049 0.0029 2972 ARG 123 HH11 0.0007 -0.0044 0.0028 2973 ARG 123 HE 0.0003 -0.0047 0.0023 2974 ARG 124 N 0.0015 -0.0071 0.0031 2975 ARG 124 CA 0.0007 -0.0069 0.0031 2976 ARG 124 C 0.0000 -0.0072 0.0036 2977 ARG 124 O -0.0001 -0.0072 0.0037 2978 ARG 124 CB 0.0004 -0.0063 0.0024 2979 ARG 124 CG 0.0010 -0.0060 0.0018 2980 ARG 124 CD 0.0007 -0.0054 0.0011 2981 ARG 124 NE 0.0013 -0.0052 0.0006 2982 ARG 124 CZ 0.0017 -0.0051 0.0005 2983 ARG 124 NH1 0.0014 -0.0053 0.0008 2984 ARG 124 NH2 0.0023 -0.0049 -0.0000 2985 ARG 124 H 0.0016 -0.0068 0.0027 2986 ARG 124 HA 0.0008 -0.0070 0.0032 2987 ARG 124 HB3 -0.0002 -0.0062 0.0024 2988 ARG 124 HB2 0.0003 -0.0062 0.0023 2989 ARG 124 HG3 0.0016 -0.0061 0.0018 2990 ARG 124 HG2 0.0010 -0.0061 0.0020 2991 ARG 124 HD3 0.0002 -0.0053 0.0011 2992 ARG 124 HD2 0.0004 -0.0053 0.0011 2993 ARG 124 HH22 0.0026 -0.0048 -0.0002 2994 ARG 124 HH21 0.0025 -0.0048 -0.0002 2995 ARG 124 HH12 0.0016 -0.0053 0.0007 2996 ARG 124 HH11 0.0009 -0.0055 0.0011 2997 ARG 124 HE 0.0015 -0.0050 0.0003 2998 GLU 125 N -0.0003 -0.0074 0.0041 2999 GLU 125 CA -0.0010 -0.0077 0.0046 3000 GLU 125 C -0.0016 -0.0076 0.0046 3001 GLU 125 O -0.0014 -0.0077 0.0048 3002 GLU 125 CB -0.0006 -0.0083 0.0052 3003 GLU 125 CG -0.0013 -0.0086 0.0058 3004 GLU 125 CD -0.0010 -0.0091 0.0065 3005 GLU 125 OE1 -0.0006 -0.0092 0.0065 3006 GLU 125 OE2 -0.0011 -0.0095 0.0070 3007 GLU 125 H -0.0002 -0.0074 0.0040 3008 GLU 125 HA -0.0013 -0.0075 0.0045 3009 GLU 125 HB3 -0.0003 -0.0084 0.0053 3010 GLU 125 HB2 -0.0002 -0.0083 0.0052 3011 GLU 125 HG3 -0.0017 -0.0084 0.0057 3012 GLU 125 HG2 -0.0017 -0.0086 0.0059 3013 PRO 126 N -0.0078 -0.0070 0.0123 3014 PRO 126 CA -0.0074 -0.0073 0.0122 3015 PRO 126 C -0.0051 -0.0080 0.0072 3016 PRO 126 O -0.0045 -0.0078 0.0035 3017 PRO 126 CB -0.0122 -0.0043 0.0130 3018 PRO 126 CG -0.0148 -0.0023 0.0108 3019 PRO 126 CD -0.0124 -0.0041 0.0122 3020 PRO 126 HA -0.0057 -0.0089 0.0154 3021 PRO 126 HB3 -0.0131 -0.0043 0.0171 3022 PRO 126 HB2 -0.0128 -0.0036 0.0112 3023 PRO 126 HG3 -0.0182 -0.0003 0.0123 3024 PRO 126 HG2 -0.0147 -0.0017 0.0067 3025 PRO 126 HD2 -0.0128 -0.0033 0.0095 3026 PRO 126 HD3 -0.0135 -0.0039 0.0160 3027 PRO 127 N -0.0040 -0.0087 0.0071 3028 PRO 127 CA -0.0022 -0.0091 0.0024 3029 PRO 127 C -0.0049 -0.0066 -0.0021 3030 PRO 127 O -0.0089 -0.0042 -0.0015 3031 PRO 127 CB -0.0022 -0.0094 0.0040 3032 PRO 127 CG -0.0017 -0.0106 0.0096 3033 PRO 127 CD -0.0043 -0.0092 0.0115 3034 PRO 127 HA 0.0011 -0.0111 0.0016 3035 PRO 127 HB3 0.0004 -0.0107 0.0018 3036 PRO 127 HB2 -0.0052 -0.0073 0.0032 3037 PRO 127 HG3 0.0017 -0.0129 0.0102 3038 PRO 127 HG2 -0.0027 -0.0102 0.0116 3039 PRO 127 HD2 -0.0077 -0.0071 0.0123 3040 PRO 127 HD3 -0.0031 -0.0105 0.0149 3041 HIS 128 N -0.0023 -0.0077 -0.0026 3042 HIS 128 CA -0.0033 -0.0076 -0.0042 3043 HIS 128 C -0.0046 -0.0073 -0.0037 3044 HIS 128 O -0.0054 -0.0073 -0.0050 3045 HIS 128 CB -0.0043 -0.0075 -0.0053 3046 HIS 128 CG -0.0032 -0.0077 -0.0057 3047 HIS 128 ND1 -0.0014 -0.0081 -0.0061 3048 HIS 128 CD2 -0.0038 -0.0076 -0.0056 3049 HIS 128 CE1 -0.0009 -0.0082 -0.0062 3050 HIS 128 NE2 -0.0023 -0.0079 -0.0060 3051 HIS 128 H -0.0009 -0.0079 -0.0026 3052 HIS 128 HA -0.0022 -0.0079 -0.0051 3053 HIS 128 HB3 -0.0047 -0.0075 -0.0067 3054 HIS 128 HB2 -0.0056 -0.0072 -0.0047 3055 HIS 128 HD1 -0.0005 -0.0083 -0.0062 3056 HIS 128 HD2 -0.0051 -0.0073 -0.0053 3057 HIS 128 HE1 0.0005 -0.0085 -0.0065 3058 SER 129 N -0.0047 -0.0072 -0.0019 3059 SER 129 CA -0.0058 -0.0069 -0.0012 3060 SER 129 C -0.0053 -0.0071 -0.0022 3061 SER 129 O -0.0036 -0.0074 -0.0020 3062 SER 129 CB -0.0057 -0.0068 0.0009 3063 SER 129 OG -0.0069 -0.0065 0.0015 3064 SER 129 H -0.0040 -0.0072 -0.0009 3065 SER 129 HA -0.0073 -0.0067 -0.0016 3066 SER 129 HB3 -0.0043 -0.0070 0.0014 3067 SER 129 HB2 -0.0062 -0.0066 0.0016 3068 SER 129 HG -0.0069 -0.0064 0.0029 3069 PRO 130 N 0.0007 -0.0030 -0.0024 3070 PRO 130 CA 0.0008 -0.0031 -0.0027 3071 PRO 130 C 0.0008 -0.0034 -0.0034 3072 PRO 130 O 0.0006 -0.0037 -0.0036 3073 PRO 130 CB 0.0013 -0.0027 -0.0028 3074 PRO 130 CG 0.0013 -0.0023 -0.0022 3075 PRO 130 CD 0.0011 -0.0026 -0.0022 3076 PRO 130 HA 0.0005 -0.0033 -0.0025 3077 PRO 130 HB3 0.0013 -0.0026 -0.0027 3078 PRO 130 HB2 0.0015 -0.0026 -0.0031 3079 PRO 130 HG3 0.0012 -0.0023 -0.0018 3080 PRO 130 HG2 0.0017 -0.0020 -0.0022 3081 PRO 130 HD2 0.0013 -0.0025 -0.0024 3082 PRO 130 HD3 0.0010 -0.0025 -0.0017 3083 ASN 131 N 0.0009 -0.0034 -0.0036 3084 ASN 131 CA 0.0011 -0.0035 -0.0043 3085 ASN 131 C 0.0009 -0.0038 -0.0045 3086 ASN 131 O 0.0011 -0.0039 -0.0050 3087 ASN 131 CB 0.0016 -0.0031 -0.0045 3088 ASN 131 CG 0.0018 -0.0028 -0.0043 3089 ASN 131 OD1 0.0017 -0.0028 -0.0039 3090 ASN 131 ND2 0.0022 -0.0025 -0.0046 3091 ASN 131 H 0.0010 -0.0032 -0.0034 3092 ASN 131 HA 0.0009 -0.0038 -0.0045 3093 ASN 131 HB3 0.0017 -0.0029 -0.0043 3094 ASN 131 HB2 0.0017 -0.0032 -0.0049 3095 ASN 131 HD22 0.0024 -0.0023 -0.0045 3096 ASN 131 HD21 0.0024 -0.0025 -0.0050 3097 SER 132 N 0.0006 -0.0034 0.0002 3098 SER 132 CA 0.0004 -0.0037 0.0002 3099 SER 132 C 0.0002 -0.0041 0.0004 3100 SER 132 O 0.0000 -0.0040 0.0008 3101 SER 132 CB 0.0004 -0.0035 0.0004 3102 SER 132 OG 0.0002 -0.0032 0.0008 3103 SER 132 H 0.0005 -0.0032 0.0004 3104 SER 132 HA 0.0006 -0.0039 -0.0001 3105 SER 132 HB3 0.0006 -0.0032 0.0002 3106 SER 132 HB2 0.0003 -0.0037 0.0004 3107 SER 132 HG 0.0000 -0.0035 0.0010 3108 PHE 133 N 0.0002 -0.0045 0.0002 3109 PHE 133 CA -0.0001 -0.0049 0.0004 3110 PHE 133 C -0.0002 -0.0053 0.0004 3111 PHE 133 O -0.0001 -0.0053 0.0001 3112 PHE 133 CB 0.0001 -0.0051 0.0001 3113 PHE 133 CG 0.0002 -0.0048 0.0000 3114 PHE 133 CD1 0.0005 -0.0044 -0.0002 3115 PHE 133 CD2 0.0000 -0.0048 0.0003 3116 PHE 133 CE1 0.0006 -0.0041 -0.0003 3117 PHE 133 CE2 0.0002 -0.0045 0.0002 3118 PHE 133 CZ 0.0004 -0.0041 -0.0000 3119 PHE 133 H 0.0003 -0.0046 -0.0001 3120 PHE 133 HA -0.0002 -0.0048 0.0007 3121 PHE 133 HB3 -0.0001 -0.0054 0.0002 3122 PHE 133 HB2 0.0002 -0.0052 -0.0003 3123 PHE 133 HD1 0.0006 -0.0044 -0.0004 3124 PHE 133 HD2 -0.0002 -0.0050 0.0005 3125 PHE 133 HE1 0.0008 -0.0039 -0.0005 3126 PHE 133 HE2 0.0000 -0.0045 0.0004 3127 PHE 133 HZ 0.0005 -0.0039 -0.0000 3128 ARG 134 N -0.0030 -0.0015 -0.0014 3129 ARG 134 CA -0.0031 -0.0021 -0.0015 3130 ARG 134 C -0.0033 -0.0026 -0.0017 3131 ARG 134 O -0.0034 -0.0026 -0.0014 3132 ARG 134 CB -0.0035 -0.0022 -0.0009 3133 ARG 134 CG -0.0036 -0.0028 -0.0010 3134 ARG 134 CD -0.0040 -0.0029 -0.0004 3135 ARG 134 NE -0.0039 -0.0025 -0.0001 3136 ARG 134 CZ -0.0039 -0.0025 -0.0001 3137 ARG 134 NH1 -0.0040 -0.0030 -0.0004 3138 ARG 134 NH2 -0.0039 -0.0020 0.0002 3139 ARG 134 H -0.0031 -0.0015 -0.0011 3140 ARG 134 HA -0.0030 -0.0021 -0.0019 3141 ARG 134 HB3 -0.0036 -0.0022 -0.0005 3142 ARG 134 HB2 -0.0034 -0.0018 -0.0008 3143 ARG 134 HG3 -0.0034 -0.0026 -0.0013 3144 ARG 134 HG2 -0.0037 -0.0032 -0.0013 3145 ARG 134 HD3 -0.0041 -0.0034 -0.0005 3146 ARG 134 HD2 -0.0041 -0.0029 -0.0001 3147 ARG 134 HH22 -0.0040 -0.0020 0.0004 3148 ARG 134 HH21 -0.0038 -0.0016 0.0003 3149 ARG 134 HH12 -0.0040 -0.0030 -0.0003 3150 ARG 134 HH11 -0.0040 -0.0033 -0.0007 3151 ARG 134 HE -0.0039 -0.0021 0.0001 3152 LEU 135 N -0.0033 -0.0031 -0.0021 3153 LEU 135 CA -0.0034 -0.0037 -0.0021 3154 LEU 135 C -0.0038 -0.0041 -0.0016 3155 LEU 135 O -0.0040 -0.0042 -0.0013 3156 LEU 135 CB -0.0034 -0.0042 -0.0027 3157 LEU 135 CG -0.0030 -0.0040 -0.0033 3158 LEU 135 CD1 -0.0029 -0.0044 -0.0038 3159 LEU 135 CD2 -0.0029 -0.0041 -0.0036 3160 LEU 135 H -0.0032 -0.0031 -0.0022 3161 LEU 135 HA -0.0034 -0.0036 -0.0023 3162 LEU 135 HB3 -0.0035 -0.0047 -0.0027 3163 LEU 135 HB2 -0.0034 -0.0042 -0.0026 3164 LEU 135 HG -0.0028 -0.0035 -0.0033 3165 LEU 135 HD11 -0.0026 -0.0041 -0.0042 3166 LEU 135 HD12 -0.0030 -0.0044 -0.0036 3167 LEU 135 HD13 -0.0030 -0.0049 -0.0040 3168 LEU 135 HD21 -0.0027 -0.0037 -0.0038 3169 LEU 135 HD22 -0.0030 -0.0046 -0.0039 3170 LEU 135 HD23 -0.0031 -0.0042 -0.0032 3171 GLU 136 N -0.0035 -0.0022 -0.0014 3172 GLU 136 CA -0.0036 -0.0017 -0.0018 3173 GLU 136 CA -0.0037 -0.0017 -0.0018 3174 GLU 136 C -0.0045 -0.0010 -0.0015 3175 GLU 136 O -0.0050 -0.0012 -0.0008 3176 GLU 136 CB -0.0033 -0.0022 -0.0017 3177 GLU 136 CB -0.0034 -0.0023 -0.0014 3178 GLU 136 CG -0.0025 -0.0028 -0.0021 3179 GLU 136 CG -0.0034 -0.0021 -0.0017 3180 GLU 136 CD -0.0021 -0.0031 -0.0022 3181 GLU 136 CD -0.0030 -0.0028 -0.0014 3182 GLU 136 OE1 -0.0025 -0.0031 -0.0017 3183 GLU 136 OE1 -0.0023 -0.0033 -0.0018 3184 GLU 136 OE2 -0.0014 -0.0034 -0.0028 3185 GLU 136 OE2 -0.0034 -0.0029 -0.0008 3186 GLU 136 H -0.0038 -0.0025 -0.0007 3187 GLU 136 HA -0.0033 -0.0014 -0.0025 3188 GLU 136 HA -0.0033 -0.0015 -0.0025 3189 GLU 136 HB3 -0.0035 -0.0017 -0.0020 3190 GLU 136 HB3 -0.0038 -0.0026 -0.0007 3191 GLU 136 HB2 -0.0036 -0.0025 -0.0010 3192 GLU 136 HB2 -0.0028 -0.0029 -0.0015 3193 GLU 136 HG3 -0.0023 -0.0033 -0.0017 3194 GLU 136 HG3 -0.0031 -0.0018 -0.0024 3195 GLU 136 HG2 -0.0022 -0.0025 -0.0028 3196 GLU 136 HG2 -0.0040 -0.0016 -0.0015 3197 LYS 137 N -0.0047 -0.0002 -0.0021 3198 LYS 137 CA -0.0055 0.0004 -0.0019 3199 LYS 137 C -0.0055 0.0004 -0.0019 3200 LYS 137 O -0.0050 0.0004 -0.0025 3201 LYS 137 CB -0.0057 0.0013 -0.0026 3202 LYS 137 CG -0.0065 0.0020 -0.0024 3203 LYS 137 CD -0.0066 0.0028 -0.0032 3204 LYS 137 CE -0.0068 0.0032 -0.0035 3205 LYS 137 NZ -0.0071 0.0041 -0.0040 3206 LYS 137 H -0.0043 -0.0002 -0.0028 3207 LYS 137 HA -0.0059 0.0004 -0.0013 3208 LYS 137 HB3 -0.0053 0.0014 -0.0032 3209 LYS 137 HB2 -0.0056 0.0012 -0.0027 3210 LYS 137 HG3 -0.0069 0.0020 -0.0019 3211 LYS 137 HG2 -0.0067 0.0019 -0.0021 3212 LYS 137 HD3 -0.0071 0.0032 -0.0030 3213 LYS 137 HD2 -0.0061 0.0028 -0.0037 3214 LYS 137 HE3 -0.0062 0.0029 -0.0038 3215 LYS 137 HE2 -0.0072 0.0032 -0.0029 3216 LYS 137 HZ1 -0.0076 0.0044 -0.0037 3217 LYS 137 HZ2 -0.0072 0.0044 -0.0042 3218 LYS 137 HZ3 -0.0068 0.0042 -0.0045 3219 ILE 138 N -0.0047 0.0009 -0.0020 3220 ILE 138 CA -0.0046 0.0012 -0.0023 3221 ILE 138 C -0.0047 0.0018 -0.0020 3222 ILE 138 O -0.0048 0.0019 -0.0015 3223 ILE 138 CB -0.0047 0.0008 -0.0023 3224 ILE 138 CG1 -0.0048 0.0007 -0.0016 3225 ILE 138 CG2 -0.0046 0.0002 -0.0026 3226 ILE 138 CD1 -0.0048 0.0004 -0.0016 3227 ILE 138 H -0.0048 0.0009 -0.0015 3228 ILE 138 HA -0.0045 0.0013 -0.0027 3229 ILE 138 HB -0.0046 0.0011 -0.0025 3230 ILE 138 HG13 -0.0049 0.0011 -0.0014 3231 ILE 138 HG12 -0.0049 0.0004 -0.0014 3232 ILE 138 HG21 -0.0046 0.0000 -0.0027 3233 ILE 138 HG22 -0.0045 0.0004 -0.0031 3234 ILE 138 HG23 -0.0047 -0.0001 -0.0025 3235 ILE 138 HD11 -0.0049 0.0005 -0.0012 3236 ILE 138 HD12 -0.0048 0.0006 -0.0020 3237 ILE 138 HD13 -0.0049 -0.0001 -0.0017 3238 LEU 139 N -0.0046 0.0022 -0.0023 3239 LEU 139 CA -0.0046 0.0027 -0.0020 3240 LEU 139 C -0.0046 0.0025 -0.0019 3241 LEU 139 O -0.0046 0.0022 -0.0022 3242 LEU 139 CB -0.0044 0.0032 -0.0025 3243 LEU 139 CG -0.0044 0.0035 -0.0025 3244 LEU 139 CD1 -0.0042 0.0039 -0.0031 3245 LEU 139 CD2 -0.0045 0.0038 -0.0020 3246 LEU 139 H -0.0045 0.0020 -0.0026 3247 LEU 139 HA -0.0047 0.0028 -0.0016 3248 LEU 139 HB3 -0.0044 0.0035 -0.0023 3249 LEU 139 HB2 -0.0044 0.0030 -0.0029 3250 LEU 139 HG -0.0044 0.0031 -0.0026 3251 LEU 139 HD11 -0.0042 0.0040 -0.0032 3252 LEU 139 HD12 -0.0042 0.0036 -0.0035 3253 LEU 139 HD13 -0.0042 0.0042 -0.0030 3254 LEU 139 HD21 -0.0045 0.0042 -0.0021 3255 LEU 139 HD22 -0.0046 0.0040 -0.0018 3256 LEU 139 HD23 -0.0046 0.0035 -0.0017 3257 VAL 140 N -0.0016 0.0045 -0.0060 3258 VAL 140 CA -0.0013 0.0050 -0.0065 3259 VAL 140 C -0.0003 0.0060 -0.0062 3260 VAL 140 O 0.0002 0.0060 -0.0051 3261 VAL 140 CB -0.0016 0.0045 -0.0060 3262 VAL 140 CG1 -0.0012 0.0051 -0.0065 3263 VAL 140 CG2 -0.0026 0.0035 -0.0063 3264 VAL 140 H -0.0012 0.0045 -0.0052 3265 VAL 140 HA -0.0016 0.0052 -0.0075 3266 VAL 140 HB -0.0013 0.0043 -0.0050 3267 VAL 140 HG11 -0.0015 0.0047 -0.0062 3268 VAL 140 HG12 -0.0005 0.0057 -0.0061 3269 VAL 140 HG13 -0.0014 0.0053 -0.0074 3270 VAL 140 HG21 -0.0028 0.0032 -0.0060 3271 VAL 140 HG22 -0.0029 0.0036 -0.0073 3272 VAL 140 HG23 -0.0029 0.0030 -0.0059 3273 SER 141 N 0.0001 0.0067 -0.0071 3274 SER 141 CA 0.0011 0.0077 -0.0069 3275 SER 141 CA 0.0011 0.0077 -0.0069 3276 SER 141 C 0.0013 0.0078 -0.0064 3277 SER 141 O 0.0010 0.0077 -0.0071 3278 SER 141 CB 0.0012 0.0084 -0.0081 3279 SER 141 CB 0.0013 0.0085 -0.0080 3280 SER 141 OG 0.0021 0.0094 -0.0081 3281 SER 141 OG 0.0010 0.0084 -0.0085 3282 SER 141 H -0.0003 0.0067 -0.0079 3283 SER 141 HA 0.0015 0.0078 -0.0063 3284 SER 141 HA 0.0014 0.0078 -0.0062 3285 SER 141 HB3 0.0008 0.0083 -0.0088 3286 SER 141 HB3 0.0021 0.0092 -0.0078 3287 SER 141 HB2 0.0011 0.0084 -0.0084 3288 SER 141 HB2 0.0010 0.0085 -0.0087 3289 SER 141 HG 0.0021 0.0097 -0.0088 3290 SER 141 HG 0.0012 0.0089 -0.0092 3291 VAL 142 N -0.0011 0.0050 -0.0060 3292 VAL 142 CA -0.0010 0.0051 -0.0061 3293 VAL 142 C -0.0003 0.0054 -0.0064 3294 VAL 142 O -0.0001 0.0055 -0.0067 3295 VAL 142 CB -0.0010 0.0048 -0.0054 3296 VAL 142 CG1 -0.0017 0.0046 -0.0051 3297 VAL 142 CG2 -0.0004 0.0048 -0.0049 3298 VAL 142 H -0.0009 0.0049 -0.0056 3299 VAL 142 HA -0.0014 0.0051 -0.0064 3300 VAL 142 HB -0.0008 0.0049 -0.0055 3301 VAL 142 HG11 -0.0017 0.0044 -0.0047 3302 VAL 142 HG12 -0.0021 0.0046 -0.0055 3303 VAL 142 HG13 -0.0019 0.0045 -0.0050 3304 VAL 142 HG21 -0.0004 0.0046 -0.0044 3305 VAL 142 HG22 -0.0005 0.0047 -0.0047 3306 VAL 142 HG23 0.0001 0.0049 -0.0050 3307 GLY 143 N 0.0002 0.0055 -0.0063 3308 GLY 143 CA 0.0009 0.0057 -0.0066 3309 GLY 143 C 0.0013 0.0057 -0.0065 3310 GLY 143 O 0.0010 0.0056 -0.0062 3311 GLY 143 H 0.0001 0.0053 -0.0061 3312 GLY 143 HA3 0.0012 0.0057 -0.0064 3313 GLY 143 HA2 0.0008 0.0059 -0.0072 3314 CYS 144 N 0.0050 0.0041 -0.0058 3315 CYS 144 CA 0.0046 0.0033 -0.0053 3316 CYS 144 C 0.0066 0.0022 -0.0052 3317 CYS 144 O 0.0083 0.0027 -0.0057 3318 CYS 144 CB 0.0038 0.0049 -0.0059 3319 CYS 144 SG 0.0014 0.0060 -0.0061 3320 CYS 144 H 0.0062 0.0049 -0.0064 3321 CYS 144 HA 0.0035 0.0023 -0.0047 3322 CYS 144 HB3 0.0036 0.0043 -0.0056 3323 CYS 144 HB2 0.0049 0.0059 -0.0066 3324 THR 145 N 0.0063 0.0008 -0.0045 3325 THR 145 CA 0.0079 -0.0004 -0.0042 3326 THR 145 C 0.0072 -0.0005 -0.0041 3327 THR 145 O 0.0054 -0.0001 -0.0039 3328 THR 145 CB 0.0081 -0.0023 -0.0034 3329 THR 145 OG1 0.0099 -0.0034 -0.0032 3330 THR 145 CG2 0.0063 -0.0036 -0.0025 3331 THR 145 H 0.0048 0.0005 -0.0041 3332 THR 145 HA 0.0093 0.0003 -0.0048 3333 THR 145 HB 0.0084 -0.0021 -0.0035 3334 THR 145 HG1 0.0110 -0.0032 -0.0034 3335 THR 145 HG21 0.0066 -0.0049 -0.0019 3336 THR 145 HG22 0.0049 -0.0029 -0.0026 3337 THR 145 HG23 0.0060 -0.0039 -0.0023 3338 CYS 146 N 0.0095 -0.0027 -0.0029 3339 CYS 146 CA 0.0099 -0.0024 -0.0031 3340 CYS 146 C 0.0102 -0.0028 -0.0024 3341 CYS 146 O 0.0107 -0.0030 -0.0018 3342 CYS 146 CB 0.0108 -0.0019 -0.0035 3343 CYS 146 SG 0.0115 -0.0014 -0.0038 3344 CYS 146 H 0.0099 -0.0027 -0.0026 3345 CYS 146 HA 0.0095 -0.0022 -0.0036 3346 CYS 146 HB3 0.0113 -0.0020 -0.0030 3347 CYS 146 HB2 0.0106 -0.0016 -0.0040 3348 VAL 147 N 0.0098 -0.0029 -0.0024 3349 VAL 147 CA 0.0099 -0.0033 -0.0017 3350 VAL 147 C 0.0102 -0.0030 -0.0020 3351 VAL 147 O 0.0101 -0.0026 -0.0027 3352 VAL 147 CB 0.0089 -0.0038 -0.0014 3353 VAL 147 CG1 0.0085 -0.0042 -0.0011 3354 VAL 147 CG2 0.0082 -0.0036 -0.0021 3355 VAL 147 H 0.0094 -0.0027 -0.0029 3356 VAL 147 HA 0.0104 -0.0034 -0.0012 3357 VAL 147 HB 0.0091 -0.0041 -0.0009 3358 VAL 147 HG11 0.0079 -0.0045 -0.0009 3359 VAL 147 HG12 0.0090 -0.0043 -0.0005 3360 VAL 147 HG13 0.0085 -0.0039 -0.0015 3361 VAL 147 HG21 0.0076 -0.0040 -0.0019 3362 VAL 147 HG22 0.0081 -0.0033 -0.0026 3363 VAL 147 HG23 0.0084 -0.0034 -0.0023 3364 THR 148 N 0.0148 0.0005 0.0018 3365 THR 148 CA 0.0126 -0.0007 0.0025 3366 THR 148 C 0.0086 -0.0009 0.0036 3367 THR 148 O 0.0080 -0.0019 0.0039 3368 THR 148 CB 0.0140 -0.0046 0.0029 3369 THR 148 OG1 0.0138 -0.0072 0.0034 3370 THR 148 CG2 0.0179 -0.0048 0.0019 3371 THR 148 H 0.0162 -0.0016 0.0018 3372 THR 148 HA 0.0129 0.0011 0.0021 3373 THR 148 HB 0.0123 -0.0056 0.0035 3374 THR 148 HG1 0.0114 -0.0081 0.0042 3375 THR 148 HG21 0.0187 -0.0075 0.0022 3376 THR 148 HG22 0.0182 -0.0030 0.0015 3377 THR 148 HG23 0.0198 -0.0040 0.0013 3378 PRO 149 N 0.0060 0.0003 0.0041 3379 PRO 149 CA 0.0021 0.0001 0.0051 3380 PRO 149 C 0.0009 -0.0038 0.0061 3381 PRO 149 O 0.0026 -0.0064 0.0061 3382 PRO 149 CB 0.0002 0.0021 0.0052 3383 PRO 149 CG 0.0027 0.0016 0.0046 3384 PRO 149 CD 0.0064 0.0017 0.0037 3385 PRO 149 HA 0.0016 0.0016 0.0049 3386 PRO 149 HB3 -0.0001 0.0051 0.0048 3387 PRO 149 HB2 -0.0025 0.0012 0.0061 3388 PRO 149 HG3 0.0023 0.0037 0.0044 3389 PRO 149 HG2 0.0024 -0.0011 0.0052 3390 PRO 149 HD2 0.0084 0.0002 0.0034 3391 PRO 149 HD3 0.0073 0.0045 0.0030 3392 ILE 150 N -0.0037 -0.0058 0.0098 3393 ILE 150 CA -0.0033 -0.0041 0.0052 3394 ILE 150 C -0.0035 -0.0021 0.0023 3395 ILE 150 O -0.0017 -0.0044 0.0011 3396 ILE 150 CB -0.0003 -0.0074 0.0027 3397 ILE 150 CG1 0.0001 -0.0094 0.0054 3398 ILE 150 CG2 0.0004 -0.0057 -0.0024 3399 ILE 150 CD1 0.0032 -0.0132 0.0037 3400 ILE 150 H -0.0022 -0.0081 0.0098 3401 ILE 150 HA -0.0049 -0.0017 0.0054 3402 ILE 150 HB 0.0013 -0.0098 0.0026 3403 ILE 150 HG13 -0.0006 -0.0102 0.0090 3404 ILE 150 HG12 -0.0013 -0.0071 0.0052 3405 ILE 150 HG21 0.0025 -0.0081 -0.0040 3406 ILE 150 HG22 0.0003 -0.0045 -0.0045 3407 ILE 150 HG23 -0.0011 -0.0033 -0.0026 3408 ILE 150 HD11 0.0035 -0.0149 0.0061 3409 ILE 150 HD12 0.0047 -0.0153 0.0031 3410 ILE 150 HD13 0.0038 -0.0124 0.0004 3411 VAL 151 N -0.0059 0.0019 0.0014 3412 VAL 151 CA -0.0065 0.0043 -0.0012 3413 VAL 151 C -0.0057 0.0057 -0.0062 3414 VAL 151 O -0.0064 0.0071 -0.0068 3415 VAL 151 CB -0.0097 0.0081 0.0009 3416 VAL 151 CG1 -0.0105 0.0107 -0.0017 3417 VAL 151 CG2 -0.0107 0.0068 0.0061 3418 VAL 151 H -0.0073 0.0036 0.0024 3419 VAL 151 HA -0.0053 0.0024 -0.0013 3420 VAL 151 HB -0.0110 0.0100 0.0008 3421 VAL 151 HG11 -0.0128 0.0132 0.0001 3422 VAL 151 HG12 -0.0103 0.0121 -0.0052 3423 VAL 151 HG13 -0.0093 0.0089 -0.0019 3424 VAL 151 HG21 -0.0129 0.0095 0.0076 3425 VAL 151 HG22 -0.0094 0.0047 0.0065 3426 VAL 151 HG23 -0.0104 0.0054 0.0082 3427 HIS 152 N 0.0068 0.0102 -0.0093 3428 HIS 152 CA 0.0049 0.0078 -0.0049 3429 HIS 152 C 0.0029 0.0085 -0.0032 3430 HIS 152 O 0.0020 0.0117 -0.0052 3431 HIS 152 CB 0.0022 0.0090 -0.0030 3432 HIS 152 CG -0.0009 0.0135 -0.0035 3433 HIS 152 ND1 -0.0004 0.0168 -0.0073 3434 HIS 152 CD2 -0.0048 0.0152 -0.0008 3435 HIS 152 CE1 -0.0038 0.0203 -0.0067 3436 HIS 152 NE2 -0.0065 0.0196 -0.0028 3437 HIS 152 H 0.0059 0.0122 -0.0102 3438 HIS 152 HA 0.0071 0.0045 -0.0043 3439 HIS 152 HB3 0.0039 0.0082 -0.0041 3440 HIS 152 HB2 0.0010 0.0071 0.0003 3441 HIS 152 HD1 0.0021 0.0167 -0.0101 3442 HIS 152 HD2 -0.0064 0.0138 0.0025 3443 HIS 152 HE1 -0.0042 0.0234 -0.0091 3444 HIS 153 N 0.0022 0.0056 0.0004 3445 HIS 153 CA 0.0005 0.0056 0.0023 3446 HIS 153 C -0.0038 0.0085 0.0045 3447 HIS 153 O -0.0061 0.0084 0.0073 3448 HIS 153 CB 0.0018 0.0011 0.0051 3449 HIS 153 CG 0.0013 0.0003 0.0065 3450 HIS 153 ND1 -0.0022 0.0018 0.0091 3451 HIS 153 CD2 0.0038 -0.0019 0.0055 3452 HIS 153 CE1 -0.0017 0.0005 0.0097 3453 HIS 153 NE2 0.0020 -0.0017 0.0076 3454 HIS 153 H 0.0031 0.0030 0.0018 3455 HIS 153 HA 0.0014 0.0069 -0.0000 3456 HIS 153 HXT -0.0047 0.0108 0.0035 3457 HIS 153 HB3 0.0004 -0.0001 0.0079 3458 HIS 153 HB2 0.0048 -0.0009 0.0036 3459 HIS 153 HD1 -0.0047 0.0037 0.0102 3460 HIS 153 HD2 0.0069 -0.0035 0.0036 3461 HIS 153 HE1 -0.0039 0.0012 0.0116