1 PRO 42 N 0.0015 0.0006 0.0075 2 PRO 42 CA 0.0022 0.0002 0.0067 3 PRO 42 C 0.0017 0.0002 0.0062 4 PRO 42 O 0.0007 0.0004 0.0059 5 PRO 42 CB 0.0024 -0.0000 0.0059 6 PRO 42 CG 0.0014 0.0002 0.0058 7 PRO 42 CD 0.0011 0.0006 0.0069 8 PRO 42 H 0.0019 0.0007 0.0082 9 PRO 42 HA 0.0030 0.0002 0.0072 10 PRO 42 HB3 0.0031 -0.0001 0.0061 11 PRO 42 HB2 0.0026 -0.0003 0.0051 12 PRO 42 HG3 0.0015 0.0001 0.0055 13 PRO 42 HG2 0.0008 0.0002 0.0053 14 PRO 42 HD2 0.0002 0.0008 0.0070 15 PRO 42 HD3 0.0013 0.0006 0.0074 16 ARG 43 N 0.0023 0.0000 0.0061 17 ARG 43 CA 0.0019 0.0000 0.0057 18 ARG 43 C 0.0014 -0.0001 0.0045 19 ARG 43 O 0.0006 0.0000 0.0042 20 ARG 43 CB 0.0028 -0.0001 0.0057 21 ARG 43 CG 0.0024 -0.0001 0.0054 22 ARG 43 CD 0.0033 -0.0003 0.0054 23 ARG 43 NE 0.0039 -0.0007 0.0044 24 ARG 43 CZ 0.0043 -0.0010 0.0037 25 ARG 43 NH1 0.0042 -0.0009 0.0040 26 ARG 43 NH2 0.0048 -0.0013 0.0028 27 ARG 43 H 0.0031 -0.0001 0.0063 28 ARG 43 HA 0.0012 0.0003 0.0062 29 ARG 43 HB3 0.0035 -0.0004 0.0053 30 ARG 43 HB2 0.0031 -0.0000 0.0066 31 ARG 43 HG3 0.0017 0.0002 0.0059 32 ARG 43 HG2 0.0020 -0.0002 0.0046 33 ARG 43 HD3 0.0038 -0.0003 0.0060 34 ARG 43 HD2 0.0029 -0.0002 0.0055 35 ARG 43 HH22 0.0051 -0.0015 0.0024 36 ARG 43 HH21 0.0048 -0.0014 0.0026 37 ARG 43 HH12 0.0044 -0.0011 0.0035 38 ARG 43 HH11 0.0040 -0.0007 0.0047 39 ARG 43 HE 0.0039 -0.0008 0.0042 40 THR 44 N 0.0018 -0.0001 0.0041 41 THR 44 CA 0.0016 -0.0003 0.0033 42 THR 44 C 0.0014 -0.0003 0.0032 43 THR 44 O 0.0020 -0.0003 0.0035 44 THR 44 CB 0.0024 -0.0005 0.0027 45 THR 44 OG1 0.0027 -0.0005 0.0028 46 THR 44 CG2 0.0023 -0.0008 0.0018 47 THR 44 H 0.0024 -0.0001 0.0044 48 THR 44 HA 0.0011 -0.0003 0.0030 49 THR 44 HB 0.0030 -0.0005 0.0029 50 THR 44 HG1 0.0022 -0.0005 0.0026 51 THR 44 HG21 0.0028 -0.0009 0.0014 52 THR 44 HG22 0.0022 -0.0008 0.0016 53 THR 44 HG23 0.0017 -0.0008 0.0015 54 VAL 45 N 0.0007 -0.0003 0.0028 55 VAL 45 CA 0.0004 -0.0003 0.0026 56 VAL 45 C 0.0002 -0.0006 0.0017 57 VAL 45 O 0.0001 -0.0007 0.0012 58 VAL 45 CB -0.0004 -0.0001 0.0031 59 VAL 45 CG1 -0.0002 0.0001 0.0041 60 VAL 45 CG2 -0.0012 -0.0001 0.0029 61 VAL 45 H 0.0003 -0.0003 0.0025 62 VAL 45 HA 0.0009 -0.0003 0.0028 63 VAL 45 HB -0.0006 -0.0001 0.0030 64 VAL 45 HG11 -0.0007 0.0003 0.0045 65 VAL 45 HG12 0.0004 0.0001 0.0042 66 VAL 45 HG13 -0.0001 0.0002 0.0042 67 VAL 45 HG21 -0.0018 0.0001 0.0033 68 VAL 45 HG22 -0.0011 -0.0001 0.0029 69 VAL 45 HG23 -0.0014 -0.0002 0.0022 70 MET 46 N -0.0009 0.0001 0.0024 71 MET 46 CA -0.0010 0.0001 0.0019 72 MET 46 C -0.0015 0.0000 0.0019 73 MET 46 O -0.0017 0.0001 0.0023 74 MET 46 CB -0.0006 0.0001 0.0018 75 MET 46 CG -0.0001 0.0001 0.0016 76 MET 46 SD 0.0004 0.0001 0.0014 77 MET 46 CE 0.0005 0.0001 0.0020 78 MET 46 H -0.0008 0.0001 0.0027 79 MET 46 HA -0.0010 0.0000 0.0016 80 MET 46 HB3 -0.0008 0.0000 0.0015 81 MET 46 HB2 -0.0006 0.0001 0.0021 82 MET 46 HG3 0.0001 0.0001 0.0019 83 MET 46 HG2 -0.0001 0.0000 0.0013 84 MET 46 HE1 0.0009 0.0001 0.0020 85 MET 46 HE2 0.0007 0.0001 0.0023 86 MET 46 HE3 0.0002 0.0001 0.0022 87 VAL 47 N -0.0018 0.0000 0.0015 88 VAL 47 CA -0.0024 -0.0000 0.0015 89 VAL 47 C -0.0024 -0.0001 0.0010 90 VAL 47 O -0.0022 -0.0001 0.0006 91 VAL 47 CB -0.0028 -0.0000 0.0015 92 VAL 47 CG1 -0.0033 -0.0001 0.0014 93 VAL 47 CG2 -0.0028 0.0000 0.0020 94 VAL 47 H -0.0017 -0.0000 0.0012 95 VAL 47 HA -0.0024 0.0000 0.0018 96 VAL 47 HB -0.0027 -0.0001 0.0012 97 VAL 47 HG11 -0.0036 -0.0001 0.0014 98 VAL 47 HG12 -0.0034 -0.0001 0.0010 99 VAL 47 HG13 -0.0034 -0.0000 0.0017 100 VAL 47 HG21 -0.0031 -0.0000 0.0021 101 VAL 47 HG22 -0.0028 0.0000 0.0023 102 VAL 47 HG23 -0.0024 0.0000 0.0020 103 ASN 48 N -0.0030 -0.0003 0.0020 104 ASN 48 CA -0.0031 -0.0002 0.0017 105 ASN 48 C -0.0037 -0.0005 0.0014 106 ASN 48 O -0.0041 -0.0008 0.0018 107 ASN 48 CB -0.0028 -0.0002 0.0022 108 ASN 48 CG -0.0027 -0.0000 0.0019 109 ASN 48 OD1 -0.0029 -0.0000 0.0014 110 ASN 48 ND2 -0.0023 0.0002 0.0022 111 ASN 48 H -0.0031 -0.0004 0.0025 112 ASN 48 HA -0.0028 0.0000 0.0012 113 ASN 48 HB3 -0.0031 -0.0004 0.0025 114 ASN 48 HB2 -0.0024 0.0000 0.0024 115 ASN 48 HD22 -0.0022 0.0002 0.0021 116 ASN 48 HD21 -0.0021 0.0001 0.0027 117 LEU 49 N -0.0038 -0.0005 0.0008 118 LEU 49 CA -0.0044 -0.0007 0.0004 119 LEU 49 C -0.0047 -0.0009 0.0005 120 LEU 49 O -0.0052 -0.0012 0.0003 121 LEU 49 CB -0.0045 -0.0006 -0.0003 122 LEU 49 CG -0.0044 -0.0005 -0.0004 123 LEU 49 CD1 -0.0045 -0.0004 -0.0012 124 LEU 49 CD2 -0.0048 -0.0008 -0.0000 125 LEU 49 H -0.0035 -0.0002 0.0005 126 LEU 49 HA -0.0047 -0.0010 0.0007 127 LEU 49 HB3 -0.0049 -0.0008 -0.0005 128 LEU 49 HB2 -0.0042 -0.0004 -0.0005 129 LEU 49 HG -0.0039 -0.0003 -0.0003 130 LEU 49 HD11 -0.0046 -0.0005 -0.0013 131 LEU 49 HD12 -0.0041 -0.0001 -0.0014 132 LEU 49 HD13 -0.0048 -0.0006 -0.0014 133 LEU 49 HD21 -0.0048 -0.0008 -0.0002 134 LEU 49 HD22 -0.0052 -0.0011 -0.0001 135 LEU 49 HD23 -0.0046 -0.0009 0.0005 136 ASN 50 N -0.0025 -0.0002 0.0032 137 ASN 50 CA -0.0024 0.0002 0.0026 138 ASN 50 C -0.0022 0.0007 0.0020 139 ASN 50 O -0.0024 0.0004 0.0014 140 ASN 50 CB -0.0026 -0.0004 0.0022 141 ASN 50 CG -0.0027 -0.0008 0.0027 142 ASN 50 OD1 -0.0026 -0.0006 0.0033 143 ASN 50 ND2 -0.0030 -0.0015 0.0024 144 ASN 50 H -0.0027 -0.0008 0.0031 145 ASN 50 HA -0.0022 0.0005 0.0030 146 ASN 50 HB3 -0.0026 -0.0002 0.0017 147 ASN 50 HB2 -0.0028 -0.0009 0.0019 148 ASN 50 HD22 -0.0031 -0.0017 0.0027 149 ASN 50 HD21 -0.0031 -0.0017 0.0019 150 ILE 51 N -0.0020 0.0014 0.0023 151 ILE 51 CA -0.0018 0.0020 0.0019 152 ILE 51 C -0.0018 0.0022 0.0010 153 ILE 51 O -0.0017 0.0022 0.0008 154 ILE 51 CB -0.0014 0.0028 0.0024 155 ILE 51 CG1 -0.0014 0.0027 0.0033 156 ILE 51 CG2 -0.0012 0.0035 0.0019 157 ILE 51 CD1 -0.0012 0.0034 0.0038 158 ILE 51 H -0.0019 0.0015 0.0029 159 ILE 51 HA -0.0018 0.0018 0.0019 160 ILE 51 HB -0.0014 0.0030 0.0024 161 ILE 51 HG13 -0.0016 0.0022 0.0036 162 ILE 51 HG12 -0.0014 0.0027 0.0033 163 ILE 51 HG21 -0.0010 0.0040 0.0023 164 ILE 51 HG22 -0.0012 0.0036 0.0014 165 ILE 51 HG23 -0.0013 0.0033 0.0019 166 ILE 51 HD11 -0.0011 0.0033 0.0044 167 ILE 51 HD12 -0.0012 0.0033 0.0040 168 ILE 51 HD13 -0.0010 0.0039 0.0036 169 HIS 52 N -0.0007 0.0032 0.0024 170 HIS 52 CA 0.0010 0.0036 0.0007 171 HIS 52 C 0.0025 0.0045 0.0003 172 HIS 52 O 0.0020 0.0042 0.0003 173 HIS 52 CB 0.0006 0.0019 -0.0012 174 HIS 52 CG -0.0004 0.0012 -0.0011 175 HIS 52 ND1 -0.0009 0.0019 0.0006 176 HIS 52 CD2 -0.0008 -0.0001 -0.0026 177 HIS 52 CE1 -0.0016 0.0010 0.0001 178 HIS 52 NE2 -0.0016 -0.0002 -0.0018 179 HIS 52 H -0.0013 0.0025 0.0021 180 HIS 52 HA 0.0017 0.0044 0.0012 181 HIS 52 HB3 0.0019 0.0021 -0.0026 182 HIS 52 HB2 -0.0003 0.0010 -0.0015 183 HIS 52 HD1 -0.0008 0.0029 0.0020 184 HIS 52 HD2 -0.0007 -0.0010 -0.0042 185 HIS 52 HE1 -0.0021 0.0012 0.0012 186 ASN 53 N 0.0043 0.0058 -0.0001 187 ASN 53 CA 0.0059 0.0068 -0.0007 188 ASN 53 C 0.0067 0.0059 -0.0030 189 ASN 53 O 0.0072 0.0057 -0.0040 190 ASN 53 CB 0.0074 0.0086 0.0003 191 ASN 53 CG 0.0069 0.0097 0.0026 192 ASN 53 OD1 0.0079 0.0109 0.0032 193 ASN 53 ND2 0.0052 0.0091 0.0039 194 ASN 53 H 0.0047 0.0060 -0.0003 195 ASN 53 HA 0.0054 0.0067 -0.0000 196 ASN 53 HB3 0.0087 0.0092 -0.0006 197 ASN 53 HB2 0.0076 0.0087 0.0001 198 ASN 53 HD22 0.0049 0.0098 0.0054 199 ASN 53 HD21 0.0044 0.0081 0.0033 200 ARG 54 N 0.0072 0.0072 -0.0008 201 ARG 54 CA 0.0083 0.0053 -0.0036 202 ARG 54 C 0.0115 0.0052 -0.0045 203 ARG 54 O 0.0113 0.0046 -0.0053 204 ARG 54 CB 0.0054 0.0036 -0.0054 205 ARG 54 CG 0.0062 0.0014 -0.0086 206 ARG 54 CD 0.0069 0.0007 -0.0097 207 ARG 54 NE 0.0039 0.0005 -0.0094 208 ARG 54 CZ 0.0037 0.0004 -0.0095 209 ARG 54 NH1 0.0064 0.0003 -0.0102 210 ARG 54 NH2 0.0007 0.0004 -0.0089 211 ARG 54 H 0.0063 0.0072 -0.0006 212 ARG 54 HA 0.0089 0.0053 -0.0038 213 ARG 54 HB3 0.0044 0.0038 -0.0049 214 ARG 54 HB2 0.0033 0.0037 -0.0048 215 ARG 54 HG3 0.0083 0.0012 -0.0094 216 ARG 54 HG2 0.0041 0.0004 -0.0096 217 ARG 54 HD3 0.0087 0.0019 -0.0085 218 ARG 54 HD2 0.0081 -0.0007 -0.0119 219 ARG 54 HH22 0.0003 0.0002 -0.0090 220 ARG 54 HH21 -0.0013 0.0006 -0.0081 221 ARG 54 HH12 0.0064 0.0002 -0.0103 222 ARG 54 HH11 0.0087 0.0003 -0.0107 223 ARG 54 HE 0.0017 0.0005 -0.0089 224 ASN 55 N 0.0144 0.0057 -0.0043 225 ASN 55 CA 0.0177 0.0053 -0.0056 226 ASN 55 C 0.0192 0.0065 -0.0042 227 ASN 55 O 0.0216 0.0061 -0.0054 228 ASN 55 CB 0.0178 0.0030 -0.0088 229 ASN 55 CG 0.0167 0.0017 -0.0104 230 ASN 55 OD1 0.0153 0.0023 -0.0093 231 ASN 55 ND2 0.0174 -0.0002 -0.0132 232 ASN 55 H 0.0142 0.0063 -0.0035 233 ASN 55 HA 0.0195 0.0059 -0.0052 234 ASN 55 HB3 0.0204 0.0028 -0.0096 235 ASN 55 HB2 0.0163 0.0024 -0.0093 236 ASN 55 HD22 0.0168 -0.0011 -0.0143 237 ASN 55 HD21 0.0187 -0.0006 -0.0141 238 THR 56 N 0.0154 0.0084 -0.0044 239 THR 56 CA 0.0149 0.0109 -0.0028 240 THR 56 C 0.0180 0.0135 -0.0030 241 THR 56 O 0.0179 0.0157 -0.0018 242 THR 56 CB 0.0123 0.0126 -0.0008 243 THR 56 OG1 0.0132 0.0136 -0.0007 244 THR 56 CG2 0.0090 0.0103 -0.0004 245 THR 56 H 0.0142 0.0084 -0.0038 246 THR 56 HA 0.0140 0.0099 -0.0030 247 THR 56 HB 0.0120 0.0147 0.0004 248 THR 56 HG1 0.0120 0.0153 0.0007 249 THR 56 HG21 0.0073 0.0114 0.0010 250 THR 56 HG22 0.0079 0.0097 -0.0002 251 THR 56 HG23 0.0091 0.0081 -0.0016 252 TYR 66 N 0.0048 0.0025 -0.0081 253 TYR 66 CA 0.0043 0.0021 -0.0069 254 TYR 66 C 0.0035 0.0024 -0.0063 255 TYR 66 O 0.0027 0.0026 -0.0055 256 TYR 66 CB 0.0051 0.0011 -0.0062 257 TYR 66 CG 0.0058 0.0007 -0.0065 258 TYR 66 CD1 0.0056 0.0012 -0.0071 259 TYR 66 CD2 0.0068 -0.0003 -0.0062 260 TYR 66 CE1 0.0063 0.0007 -0.0073 261 TYR 66 CE2 0.0075 -0.0007 -0.0065 262 TYR 66 CZ 0.0072 -0.0002 -0.0070 263 TYR 66 OH 0.0079 -0.0006 -0.0073 264 TYR 66 H 0.0056 0.0019 -0.0084 265 TYR 66 HA 0.0038 0.0025 -0.0067 266 TYR 66 HB3 0.0046 0.0009 -0.0053 267 TYR 66 HB2 0.0056 0.0007 -0.0063 268 TYR 66 HD1 0.0049 0.0019 -0.0073 269 TYR 66 HD2 0.0070 -0.0007 -0.0058 270 TYR 66 HE1 0.0061 0.0011 -0.0077 271 TYR 66 HE2 0.0082 -0.0015 -0.0063 272 TYR 66 HH 0.0085 -0.0013 -0.0070 273 TYR 67 N 0.0038 0.0024 -0.0067 274 TYR 67 CA 0.0032 0.0027 -0.0063 275 TYR 67 C 0.0021 0.0038 -0.0066 276 TYR 67 O 0.0013 0.0040 -0.0059 277 TYR 67 CB 0.0038 0.0025 -0.0068 278 TYR 67 CG 0.0039 0.0032 -0.0081 279 TYR 67 CD1 0.0045 0.0033 -0.0091 280 TYR 67 CD2 0.0033 0.0038 -0.0083 281 TYR 67 CE1 0.0045 0.0040 -0.0102 282 TYR 67 CE2 0.0034 0.0044 -0.0094 283 TYR 67 CZ 0.0039 0.0045 -0.0104 284 TYR 67 OH 0.0039 0.0052 -0.0115 285 TYR 67 H 0.0045 0.0022 -0.0074 286 TYR 67 HA 0.0030 0.0023 -0.0054 287 TYR 67 HB3 0.0046 0.0018 -0.0068 288 TYR 67 HB2 0.0034 0.0025 -0.0063 289 TYR 67 HD1 0.0049 0.0029 -0.0090 290 TYR 67 HD2 0.0029 0.0037 -0.0076 291 TYR 67 HE1 0.0050 0.0040 -0.0110 292 TYR 67 HE2 0.0029 0.0049 -0.0096 293 TYR 67 HH 0.0038 0.0054 -0.0116 294 ASN 68 N 0.0018 0.0026 -0.0079 295 ASN 68 CA 0.0002 0.0050 -0.0084 296 ASN 68 C -0.0006 0.0054 -0.0076 297 ASN 68 O -0.0024 0.0066 -0.0066 298 ASN 68 CB 0.0010 0.0063 -0.0111 299 ASN 68 CG 0.0012 0.0067 -0.0119 300 ASN 68 OD1 0.0000 0.0072 -0.0108 301 ASN 68 ND2 0.0027 0.0067 -0.0140 302 ASN 68 H 0.0031 0.0020 -0.0090 303 ASN 68 HA -0.0009 0.0055 -0.0075 304 ASN 68 HB3 -0.0001 0.0079 -0.0115 305 ASN 68 HB2 0.0023 0.0055 -0.0121 306 ASN 68 HD22 0.0030 0.0068 -0.0146 307 ASN 68 HD21 0.0037 0.0063 -0.0150 308 ARG 69 N 0.0007 0.0043 -0.0082 309 ARG 69 CA 0.0001 0.0047 -0.0079 310 ARG 69 C -0.0007 0.0036 -0.0054 311 ARG 69 O -0.0014 0.0040 -0.0049 312 ARG 69 CB 0.0019 0.0038 -0.0095 313 ARG 69 CG 0.0029 0.0049 -0.0121 314 ARG 69 CD 0.0050 0.0034 -0.0134 315 ARG 69 NE 0.0053 0.0025 -0.0129 316 ARG 69 CZ 0.0070 0.0008 -0.0133 317 ARG 69 NH1 0.0071 0.0002 -0.0127 318 ARG 69 NH2 0.0087 -0.0003 -0.0144 319 ARG 69 H 0.0021 0.0032 -0.0090 320 ARG 69 HA -0.0009 0.0064 -0.0084 321 ARG 69 HB3 0.0016 0.0040 -0.0091 322 ARG 69 HB2 0.0030 0.0020 -0.0089 323 ARG 69 HG3 0.0029 0.0051 -0.0124 324 ARG 69 HG2 0.0020 0.0065 -0.0128 325 ARG 69 HD3 0.0059 0.0021 -0.0132 326 ARG 69 HD2 0.0055 0.0044 -0.0153 327 ARG 69 HH22 0.0099 -0.0016 -0.0146 328 ARG 69 HH21 0.0087 0.0003 -0.0150 329 ARG 69 HH12 0.0083 -0.0011 -0.0129 330 ARG 69 HH11 0.0059 0.0010 -0.0118 331 ARG 69 HE 0.0041 0.0034 -0.0122 332 SER 70 N 0.0021 0.0041 -0.0035 333 SER 70 CA 0.0018 0.0037 -0.0032 334 SER 70 C 0.0015 0.0041 -0.0028 335 SER 70 O 0.0013 0.0046 -0.0026 336 SER 70 CB 0.0016 0.0031 -0.0029 337 SER 70 OG 0.0013 0.0027 -0.0025 338 SER 70 H 0.0020 0.0041 -0.0035 339 SER 70 HA 0.0021 0.0034 -0.0034 340 SER 70 HB3 0.0015 0.0033 -0.0027 341 SER 70 HB2 0.0019 0.0028 -0.0032 342 SER 70 HG 0.0015 0.0023 -0.0027 343 THR 71 N 0.0014 0.0038 -0.0027 344 THR 71 CA 0.0010 0.0041 -0.0022 345 THR 71 C 0.0006 0.0039 -0.0017 346 THR 71 O 0.0002 0.0042 -0.0013 347 THR 71 CB 0.0010 0.0038 -0.0023 348 THR 71 OG1 0.0010 0.0031 -0.0022 349 THR 71 CG2 0.0014 0.0040 -0.0028 350 THR 71 H 0.0016 0.0034 -0.0028 351 THR 71 HA 0.0010 0.0046 -0.0023 352 THR 71 HB 0.0007 0.0040 -0.0019 353 THR 71 HG1 0.0007 0.0030 -0.0018 354 THR 71 HG21 0.0014 0.0038 -0.0027 355 THR 71 HG22 0.0015 0.0045 -0.0028 356 THR 71 HG23 0.0017 0.0038 -0.0031 357 SER 72 N 0.0015 0.0057 -0.0005 358 SER 72 CA 0.0007 0.0052 0.0005 359 SER 72 C 0.0006 0.0051 0.0006 360 SER 72 O 0.0004 0.0041 0.0004 361 SER 72 CB 0.0004 0.0040 0.0005 362 SER 72 OG 0.0007 0.0033 -0.0005 363 SER 72 H 0.0017 0.0053 -0.0012 364 SER 72 HA 0.0005 0.0059 0.0012 365 SER 72 HB3 0.0003 0.0042 0.0006 366 SER 72 HB2 -0.0002 0.0036 0.0011 367 SER 72 HG 0.0009 0.0033 -0.0008 368 PRO 73 N 0.0009 0.0061 0.0007 369 PRO 73 CA 0.0009 0.0061 0.0006 370 PRO 73 C 0.0002 0.0055 0.0015 371 PRO 73 O -0.0003 0.0056 0.0024 372 PRO 73 CB 0.0014 0.0074 0.0005 373 PRO 73 CG 0.0012 0.0081 0.0012 374 PRO 73 CD 0.0011 0.0074 0.0010 375 PRO 73 HA 0.0012 0.0055 -0.0002 376 PRO 73 HB3 0.0019 0.0076 -0.0003 377 PRO 73 HB2 0.0013 0.0076 0.0008 378 PRO 73 HG3 0.0016 0.0091 0.0010 379 PRO 73 HG2 0.0007 0.0082 0.0021 380 PRO 73 HD2 0.0008 0.0075 0.0017 381 PRO 73 HD3 0.0016 0.0077 0.0003 382 TRP 74 N 0.0013 0.0043 -0.0008 383 TRP 74 CA 0.0013 0.0035 -0.0001 384 TRP 74 C 0.0013 0.0033 -0.0005 385 TRP 74 O 0.0014 0.0037 -0.0014 386 TRP 74 CB 0.0013 0.0023 -0.0001 387 TRP 74 CG 0.0014 0.0017 -0.0012 388 TRP 74 CD1 0.0015 0.0008 -0.0016 389 TRP 74 CD2 0.0015 0.0018 -0.0021 390 TRP 74 NE1 0.0016 0.0004 -0.0026 391 TRP 74 CE2 0.0016 0.0010 -0.0030 392 TRP 74 CE3 0.0015 0.0025 -0.0022 393 TRP 74 CZ2 0.0017 0.0008 -0.0039 394 TRP 74 CZ3 0.0016 0.0024 -0.0032 395 TRP 74 CH2 0.0017 0.0016 -0.0040 396 TRP 74 H 0.0014 0.0043 -0.0017 397 TRP 74 HA 0.0012 0.0038 0.0007 398 TRP 74 HB3 0.0013 0.0025 0.0002 399 TRP 74 HB2 0.0012 0.0018 0.0005 400 TRP 74 HD1 0.0015 0.0005 -0.0011 401 TRP 74 HE1 0.0017 -0.0003 -0.0030 402 TRP 74 HE3 0.0014 0.0032 -0.0016 403 TRP 74 HZ2 0.0018 0.0002 -0.0045 404 TRP 74 HZ3 0.0016 0.0030 -0.0033 405 TRP 74 HH2 0.0018 0.0015 -0.0048 406 ASN 75 N 0.0012 0.0027 0.0002 407 ASN 75 CA 0.0013 0.0022 -0.0000 408 ASN 75 C 0.0013 0.0009 0.0002 409 ASN 75 O 0.0012 0.0006 0.0009 410 ASN 75 CB 0.0012 0.0028 0.0008 411 ASN 75 CG 0.0011 0.0041 0.0008 412 ASN 75 OD1 0.0012 0.0046 -0.0001 413 ASN 75 ND2 0.0010 0.0046 0.0017 414 ASN 75 H 0.0012 0.0024 0.0010 415 ASN 75 HA 0.0014 0.0024 -0.0009 416 ASN 75 HB3 0.0012 0.0024 0.0007 417 ASN 75 HB2 0.0011 0.0025 0.0017 418 ASN 75 HD22 0.0010 0.0055 0.0017 419 ASN 75 HD21 0.0010 0.0042 0.0024 420 LEU 76 N -0.0011 -0.0040 -0.0005 421 LEU 76 CA -0.0015 -0.0055 -0.0003 422 LEU 76 C -0.0006 -0.0071 0.0013 423 LEU 76 O -0.0005 -0.0078 0.0016 424 LEU 76 CB -0.0032 -0.0065 -0.0016 425 LEU 76 CG -0.0042 -0.0051 -0.0032 426 LEU 76 CD1 -0.0059 -0.0062 -0.0045 427 LEU 76 CD2 -0.0038 -0.0042 -0.0031 428 LEU 76 H -0.0016 -0.0044 -0.0008 429 LEU 76 HA -0.0012 -0.0048 -0.0002 430 LEU 76 HB3 -0.0034 -0.0078 -0.0014 431 LEU 76 HB2 -0.0036 -0.0072 -0.0017 432 LEU 76 HG -0.0040 -0.0038 -0.0034 433 LEU 76 HD11 -0.0066 -0.0052 -0.0056 434 LEU 76 HD12 -0.0062 -0.0069 -0.0045 435 LEU 76 HD13 -0.0062 -0.0074 -0.0043 436 LEU 76 HD21 -0.0048 -0.0041 -0.0042 437 LEU 76 HD22 -0.0032 -0.0050 -0.0022 438 LEU 76 HD23 -0.0031 -0.0026 -0.0030 439 HIS 77 N 0.0001 -0.0077 0.0022 440 HIS 77 CA 0.0009 -0.0094 0.0036 441 HIS 77 C 0.0001 -0.0110 0.0034 442 HIS 77 O -0.0005 -0.0105 0.0027 443 HIS 77 CB 0.0025 -0.0085 0.0050 444 HIS 77 CG 0.0034 -0.0070 0.0052 445 HIS 77 ND1 0.0031 -0.0072 0.0050 446 HIS 77 CD2 0.0044 -0.0051 0.0056 447 HIS 77 CE1 0.0040 -0.0056 0.0053 448 HIS 77 NE2 0.0048 -0.0043 0.0057 449 HIS 77 H 0.0000 -0.0071 0.0019 450 HIS 77 HA 0.0007 -0.0101 0.0037 451 HIS 77 HB3 0.0031 -0.0097 0.0060 452 HIS 77 HB2 0.0027 -0.0078 0.0048 453 HIS 77 HD1 0.0023 -0.0083 0.0046 454 HIS 77 HD2 0.0049 -0.0044 0.0058 455 HIS 77 HE1 0.0040 -0.0054 0.0053 456 ARG 78 N -0.0010 -0.0193 0.0015 457 ARG 78 CA -0.0031 -0.0198 0.0018 458 ARG 78 C -0.0010 -0.0193 0.0015 459 ARG 78 O 0.0012 -0.0212 0.0021 460 ARG 78 CB -0.0043 -0.0232 0.0032 461 ARG 78 CG -0.0070 -0.0241 0.0037 462 ARG 78 CD -0.0082 -0.0274 0.0051 463 ARG 78 NE -0.0103 -0.0285 0.0057 464 ARG 78 CZ -0.0094 -0.0296 0.0060 465 ARG 78 NH1 -0.0118 -0.0303 0.0064 466 ARG 78 NH2 -0.0062 -0.0298 0.0060 467 ARG 78 H 0.0004 -0.0211 0.0021 468 ARG 78 HA -0.0052 -0.0182 0.0013 469 ARG 78 HB3 -0.0021 -0.0248 0.0038 470 ARG 78 HB2 -0.0053 -0.0237 0.0035 471 ARG 78 HG3 -0.0091 -0.0225 0.0032 472 ARG 78 HG2 -0.0062 -0.0236 0.0035 473 ARG 78 HD3 -0.0062 -0.0291 0.0057 474 ARG 78 HD2 -0.0098 -0.0274 0.0052 475 ARG 78 HH22 -0.0057 -0.0304 0.0062 476 ARG 78 HH21 -0.0043 -0.0293 0.0056 477 ARG 78 HH12 -0.0111 -0.0303 0.0064 478 ARG 78 HH11 -0.0142 -0.0304 0.0066 479 ARG 78 HE -0.0128 -0.0282 0.0057 480 ASN 79 N -0.0016 -0.0166 0.0004 481 ASN 79 CA -0.0002 -0.0158 0.0000 482 ASN 79 C -0.0026 -0.0170 0.0007 483 ASN 79 O -0.0055 -0.0159 0.0004 484 ASN 79 CB 0.0000 -0.0122 -0.0014 485 ASN 79 CG 0.0014 -0.0107 -0.0021 486 ASN 79 OD1 0.0012 -0.0119 -0.0016 487 ASN 79 ND2 0.0026 -0.0078 -0.0033 488 ASN 79 H -0.0036 -0.0152 -0.0000 489 ASN 79 HA 0.0023 -0.0168 0.0003 490 ASN 79 HB3 -0.0024 -0.0111 -0.0017 491 ASN 79 HB2 0.0017 -0.0115 -0.0018 492 ASN 79 HD22 0.0037 -0.0067 -0.0038 493 ASN 79 HD21 0.0024 -0.0066 -0.0038 494 GLU 80 N -0.0027 -0.0180 -0.0035 495 GLU 80 CA -0.0042 -0.0172 -0.0026 496 GLU 80 C -0.0031 -0.0155 -0.0043 497 GLU 80 O -0.0009 -0.0161 -0.0059 498 GLU 80 CB -0.0047 -0.0199 -0.0010 499 GLU 80 CG -0.0065 -0.0191 0.0001 500 GLU 80 CD -0.0075 -0.0216 0.0020 501 GLU 80 OE1 -0.0061 -0.0240 0.0019 502 GLU 80 OE2 -0.0098 -0.0211 0.0036 503 GLU 80 H -0.0010 -0.0191 -0.0044 504 GLU 80 HA -0.0060 -0.0159 -0.0018 505 GLU 80 HB3 -0.0030 -0.0213 -0.0018 506 GLU 80 HB2 -0.0055 -0.0211 0.0001 507 GLU 80 HG3 -0.0080 -0.0173 0.0005 508 GLU 80 HG2 -0.0056 -0.0184 -0.0010 509 ASP 81 N -0.0046 -0.0134 -0.0040 510 ASP 81 CA -0.0041 -0.0112 -0.0054 511 ASP 81 C -0.0062 -0.0103 -0.0041 512 ASP 81 O -0.0082 -0.0088 -0.0031 513 ASP 81 CB -0.0036 -0.0087 -0.0069 514 ASP 81 CG -0.0030 -0.0062 -0.0085 515 ASP 81 OD1 -0.0034 -0.0057 -0.0084 516 ASP 81 OD2 -0.0024 -0.0044 -0.0098 517 ASP 81 H -0.0064 -0.0130 -0.0027 518 ASP 81 HA -0.0024 -0.0122 -0.0064 519 ASP 81 HB3 -0.0052 -0.0079 -0.0060 520 ASP 81 HB2 -0.0021 -0.0097 -0.0077 521 PRO 82 N -0.0058 -0.0080 -0.0082 522 PRO 82 CA -0.0059 -0.0070 -0.0075 523 PRO 82 C -0.0056 -0.0052 -0.0075 524 PRO 82 O -0.0059 -0.0044 -0.0066 525 PRO 82 CB -0.0056 -0.0074 -0.0085 526 PRO 82 CG -0.0050 -0.0079 -0.0099 527 PRO 82 CD -0.0053 -0.0087 -0.0095 528 PRO 82 HA -0.0064 -0.0073 -0.0064 529 PRO 82 HB3 -0.0059 -0.0083 -0.0080 530 PRO 82 HB2 -0.0054 -0.0065 -0.0085 531 PRO 82 HG3 -0.0048 -0.0087 -0.0105 532 PRO 82 HG2 -0.0045 -0.0069 -0.0105 533 PRO 82 HD2 -0.0049 -0.0086 -0.0104 534 PRO 82 HD3 -0.0055 -0.0099 -0.0094 535 GLU 83 N -0.0052 -0.0048 -0.0083 536 GLU 83 CA -0.0049 -0.0032 -0.0084 537 GLU 83 C -0.0053 -0.0027 -0.0073 538 GLU 83 O -0.0051 -0.0015 -0.0073 539 GLU 83 CB -0.0041 -0.0030 -0.0099 540 GLU 83 CG -0.0037 -0.0030 -0.0110 541 GLU 83 CD -0.0036 -0.0018 -0.0107 542 GLU 83 OE1 -0.0034 -0.0004 -0.0106 543 GLU 83 OE2 -0.0038 -0.0021 -0.0104 544 GLU 83 H -0.0050 -0.0056 -0.0089 545 GLU 83 HA -0.0049 -0.0024 -0.0081 546 GLU 83 HB3 -0.0039 -0.0019 -0.0100 547 GLU 83 HB2 -0.0041 -0.0039 -0.0103 548 GLU 83 HG3 -0.0032 -0.0030 -0.0121 549 GLU 83 HG2 -0.0038 -0.0042 -0.0110 550 ARG 84 N -0.0063 -0.0031 -0.0041 551 ARG 84 CA -0.0072 -0.0023 -0.0034 552 ARG 84 C -0.0087 -0.0027 -0.0022 553 ARG 84 O -0.0091 -0.0041 -0.0020 554 ARG 84 CB -0.0068 -0.0029 -0.0037 555 ARG 84 CG -0.0074 -0.0020 -0.0032 556 ARG 84 CD -0.0069 -0.0029 -0.0036 557 ARG 84 NE -0.0075 -0.0047 -0.0032 558 ARG 84 CZ -0.0070 -0.0059 -0.0037 559 ARG 84 NH1 -0.0076 -0.0075 -0.0033 560 ARG 84 NH2 -0.0058 -0.0057 -0.0046 561 ARG 84 H -0.0064 -0.0045 -0.0041 562 ARG 84 HA -0.0070 -0.0009 -0.0035 563 ARG 84 HB3 -0.0070 -0.0043 -0.0036 564 ARG 84 HB2 -0.0057 -0.0028 -0.0046 565 ARG 84 HG3 -0.0072 -0.0006 -0.0033 566 ARG 84 HG2 -0.0085 -0.0021 -0.0023 567 ARG 84 HD3 -0.0058 -0.0030 -0.0045 568 ARG 84 HD2 -0.0071 -0.0020 -0.0034 569 ARG 84 HH22 -0.0054 -0.0068 -0.0050 570 ARG 84 HH21 -0.0052 -0.0047 -0.0050 571 ARG 84 HH12 -0.0072 -0.0085 -0.0036 572 ARG 84 HH11 -0.0082 -0.0079 -0.0028 573 ARG 84 HE -0.0085 -0.0049 -0.0025 574 PRO 86 N -0.0114 -0.0014 0.0003 575 PRO 86 CA -0.0119 -0.0034 0.0005 576 PRO 86 C -0.0104 -0.0046 -0.0004 577 PRO 86 O -0.0092 -0.0041 -0.0011 578 PRO 86 CB -0.0129 -0.0036 0.0010 579 PRO 86 CG -0.0135 -0.0017 0.0014 580 PRO 86 CD -0.0120 -0.0005 0.0007 581 PRO 86 HA -0.0126 -0.0037 0.0009 582 PRO 86 HB3 -0.0139 -0.0046 0.0015 583 PRO 86 HB2 -0.0121 -0.0041 0.0006 584 PRO 86 HG3 -0.0145 -0.0014 0.0020 585 PRO 86 HG2 -0.0138 -0.0015 0.0016 586 PRO 86 HD2 -0.0111 -0.0004 0.0002 587 PRO 86 HD3 -0.0124 0.0009 0.0010 588 SER 87 N -0.0104 -0.0061 -0.0005 589 SER 87 CA -0.0090 -0.0073 -0.0013 590 SER 87 C -0.0088 -0.0084 -0.0015 591 SER 87 O -0.0075 -0.0086 -0.0023 592 SER 87 CB -0.0092 -0.0085 -0.0013 593 SER 87 OG -0.0107 -0.0095 -0.0005 594 SER 87 H -0.0113 -0.0065 0.0000 595 SER 87 HA -0.0079 -0.0065 -0.0019 596 SER 87 HB3 -0.0091 -0.0077 -0.0013 597 SER 87 HB2 -0.0082 -0.0095 -0.0019 598 SER 87 HG -0.0105 -0.0108 -0.0007 599 VAL 88 N -0.0118 -0.0146 0.0017 600 VAL 88 CA -0.0113 -0.0154 0.0017 601 VAL 88 C -0.0121 -0.0126 0.0015 602 VAL 88 O -0.0145 -0.0112 0.0019 603 VAL 88 CB -0.0132 -0.0180 0.0026 604 VAL 88 CG1 -0.0129 -0.0189 0.0026 605 VAL 88 CG2 -0.0125 -0.0208 0.0028 606 VAL 88 H -0.0139 -0.0143 0.0022 607 VAL 88 HA -0.0090 -0.0160 0.0012 608 VAL 88 HB -0.0155 -0.0174 0.0031 609 VAL 88 HG11 -0.0140 -0.0210 0.0032 610 VAL 88 HG12 -0.0137 -0.0172 0.0026 611 VAL 88 HG13 -0.0105 -0.0194 0.0021 612 VAL 88 HG21 -0.0140 -0.0227 0.0035 613 VAL 88 HG22 -0.0103 -0.0216 0.0023 614 VAL 88 HG23 -0.0129 -0.0204 0.0028 615 ILE 89 N -0.0102 -0.0119 0.0009 616 ILE 89 CA -0.0107 -0.0098 0.0007 617 ILE 89 C -0.0098 -0.0114 0.0007 618 ILE 89 O -0.0079 -0.0134 0.0005 619 ILE 89 CB -0.0089 -0.0069 -0.0002 620 ILE 89 CG1 -0.0101 -0.0050 -0.0001 621 ILE 89 CG2 -0.0087 -0.0048 -0.0006 622 ILE 89 CD1 -0.0082 -0.0024 -0.0010 623 ILE 89 H -0.0083 -0.0132 0.0005 624 ILE 89 HA -0.0131 -0.0091 0.0013 625 ILE 89 HB -0.0066 -0.0076 -0.0007 626 ILE 89 HG13 -0.0103 -0.0065 0.0001 627 ILE 89 HG12 -0.0123 -0.0042 0.0003 628 ILE 89 HG21 -0.0073 -0.0029 -0.0012 629 ILE 89 HG22 -0.0078 -0.0059 -0.0006 630 ILE 89 HG23 -0.0109 -0.0038 -0.0001 631 ILE 89 HD11 -0.0086 -0.0018 -0.0010 632 ILE 89 HD12 -0.0059 -0.0030 -0.0016 633 ILE 89 HD13 -0.0087 -0.0004 -0.0012 634 TRP 90 N -0.0096 -0.0100 0.0002 635 TRP 90 CA -0.0086 -0.0098 0.0004 636 TRP 90 C -0.0073 -0.0067 -0.0003 637 TRP 90 O -0.0089 -0.0047 -0.0013 638 TRP 90 CB -0.0111 -0.0105 0.0001 639 TRP 90 CG -0.0122 -0.0136 0.0008 640 TRP 90 CD1 -0.0145 -0.0148 0.0007 641 TRP 90 CD2 -0.0111 -0.0159 0.0018 642 TRP 90 NE1 -0.0149 -0.0177 0.0015 643 TRP 90 CE2 -0.0129 -0.0185 0.0022 644 TRP 90 CE3 -0.0088 -0.0161 0.0023 645 TRP 90 CZ2 -0.0124 -0.0211 0.0031 646 TRP 90 CZ3 -0.0083 -0.0187 0.0033 647 TRP 90 CH2 -0.0101 -0.0212 0.0037 648 TRP 90 H -0.0112 -0.0086 -0.0005 649 TRP 90 HA -0.0069 -0.0113 0.0012 650 TRP 90 HB3 -0.0104 -0.0100 0.0001 651 TRP 90 HB2 -0.0129 -0.0092 -0.0007 652 TRP 90 HD1 -0.0158 -0.0136 0.0001 653 TRP 90 HE1 -0.0166 -0.0189 0.0016 654 TRP 90 HE3 -0.0074 -0.0142 0.0021 655 TRP 90 HZ2 -0.0139 -0.0230 0.0034 656 TRP 90 HZ3 -0.0066 -0.0188 0.0037 657 TRP 90 HH2 -0.0098 -0.0232 0.0044 658 GLU 91 N -0.0044 -0.0064 0.0002 659 GLU 91 CA -0.0027 -0.0037 -0.0003 660 GLU 91 C -0.0020 -0.0032 -0.0003 661 GLU 91 O -0.0011 -0.0052 0.0005 662 GLU 91 CB 0.0001 -0.0036 0.0003 663 GLU 91 CG -0.0006 -0.0030 -0.0001 664 GLU 91 CD 0.0015 -0.0041 0.0007 665 GLU 91 OE1 0.0036 -0.0054 0.0016 666 GLU 91 OE2 0.0007 -0.0038 0.0005 667 GLU 91 H -0.0032 -0.0082 0.0010 668 GLU 91 HA -0.0040 -0.0019 -0.0011 669 GLU 91 HB3 0.0018 -0.0020 0.0001 670 GLU 91 HB2 0.0011 -0.0057 0.0011 671 GLU 91 HG3 -0.0028 -0.0038 -0.0003 672 GLU 91 HG2 -0.0006 -0.0007 -0.0008 673 ALA 92 N -0.0008 -0.0018 0.0008 674 ALA 92 CA -0.0004 -0.0002 0.0006 675 ALA 92 C 0.0009 0.0006 0.0019 676 ALA 92 O 0.0014 0.0009 0.0024 677 ALA 92 CB -0.0010 0.0011 -0.0007 678 ALA 92 H -0.0011 -0.0017 0.0003 679 ALA 92 HA -0.0007 -0.0005 0.0004 680 ALA 92 HB1 -0.0007 0.0023 -0.0009 681 ALA 92 HB2 -0.0020 0.0006 -0.0017 682 ALA 92 HB3 -0.0008 0.0014 -0.0006 683 LYS 93 N 0.0015 0.0010 0.0025 684 LYS 93 CA 0.0027 0.0020 0.0036 685 LYS 93 C 0.0028 0.0036 0.0030 686 LYS 93 O 0.0023 0.0034 0.0025 687 LYS 93 CB 0.0034 0.0009 0.0049 688 LYS 93 CG 0.0048 0.0017 0.0063 689 LYS 93 CD 0.0053 0.0005 0.0075 690 LYS 93 CE 0.0067 0.0012 0.0089 691 LYS 93 NZ 0.0072 -0.0000 0.0101 692 LYS 93 H 0.0011 0.0007 0.0021 693 LYS 93 HA 0.0031 0.0025 0.0039 694 LYS 93 HB3 0.0031 0.0005 0.0047 695 LYS 93 HB2 0.0032 -0.0003 0.0052 696 LYS 93 HG3 0.0051 0.0020 0.0066 697 LYS 93 HG2 0.0050 0.0030 0.0060 698 LYS 93 HD3 0.0050 0.0004 0.0072 699 LYS 93 HD2 0.0051 -0.0007 0.0077 700 LYS 93 HE3 0.0070 0.0014 0.0093 701 LYS 93 HE2 0.0070 0.0025 0.0088 702 LYS 93 HZ1 0.0069 -0.0002 0.0097 703 LYS 93 HZ2 0.0081 0.0004 0.0110 704 LYS 93 HZ3 0.0069 -0.0012 0.0102 705 CYS 94 N 0.0001 0.0032 0.0044 706 CYS 94 CA 0.0003 0.0048 0.0038 707 CYS 94 C 0.0004 0.0060 0.0047 708 CYS 94 O 0.0003 0.0058 0.0061 709 CYS 94 CB 0.0003 0.0052 0.0041 710 CYS 94 SG 0.0001 0.0036 0.0038 711 CYS 94 H 0.0000 0.0027 0.0050 712 CYS 94 HA 0.0003 0.0048 0.0026 713 CYS 94 HB3 0.0004 0.0062 0.0034 714 CYS 94 HB2 0.0003 0.0056 0.0054 715 ARG 95 N 0.0005 0.0072 0.0038 716 ARG 95 CA 0.0006 0.0084 0.0044 717 ARG 95 C 0.0007 0.0096 0.0055 718 ARG 95 O 0.0008 0.0103 0.0065 719 ARG 95 CB 0.0008 0.0093 0.0031 720 ARG 95 CG 0.0007 0.0083 0.0019 721 ARG 95 CD 0.0008 0.0093 0.0006 722 ARG 95 NE 0.0007 0.0082 -0.0006 723 ARG 95 CZ 0.0007 0.0086 -0.0021 724 ARG 95 NH1 0.0009 0.0101 -0.0026 725 ARG 95 NH2 0.0006 0.0074 -0.0030 726 ARG 95 H 0.0005 0.0073 0.0027 727 ARG 95 HA 0.0006 0.0078 0.0051 728 ARG 95 HB3 0.0008 0.0102 0.0035 729 ARG 95 HB2 0.0008 0.0100 0.0024 730 ARG 95 HG3 0.0006 0.0074 0.0014 731 ARG 95 HG2 0.0006 0.0077 0.0026 732 ARG 95 HD3 0.0008 0.0099 0.0011 733 ARG 95 HD2 0.0009 0.0102 0.0001 734 ARG 95 HH22 0.0007 0.0076 -0.0040 735 ARG 95 HH21 0.0005 0.0063 -0.0027 736 ARG 95 HH12 0.0010 0.0103 -0.0037 737 ARG 95 HH11 0.0010 0.0110 -0.0019 738 ARG 95 HE 0.0006 0.0071 -0.0003 739 HIS 96 N -0.0027 0.0112 0.0074 740 HIS 96 CA -0.0027 0.0112 0.0074 741 HIS 96 C -0.0039 0.0095 0.0070 742 HIS 96 O -0.0043 0.0082 0.0063 743 HIS 96 CB -0.0008 0.0116 0.0065 744 HIS 96 CG 0.0006 0.0132 0.0067 745 HIS 96 ND1 0.0008 0.0149 0.0078 746 HIS 96 CD2 0.0019 0.0133 0.0060 747 HIS 96 CE1 0.0021 0.0159 0.0077 748 HIS 96 NE2 0.0028 0.0151 0.0067 749 HIS 96 H -0.0026 0.0101 0.0066 750 HIS 96 HA -0.0032 0.0122 0.0085 751 HIS 96 HB3 -0.0007 0.0117 0.0065 752 HIS 96 HB2 -0.0003 0.0105 0.0054 753 HIS 96 HD1 0.0001 0.0153 0.0085 754 HIS 96 HD2 0.0022 0.0123 0.0051 755 HIS 96 HE1 0.0025 0.0173 0.0085 756 LEU 97 N -0.0046 0.0095 0.0074 757 LEU 97 CA -0.0054 0.0079 0.0068 758 LEU 97 C -0.0040 0.0071 0.0054 759 LEU 97 O -0.0042 0.0056 0.0044 760 LEU 97 CB -0.0066 0.0082 0.0078 761 LEU 97 CG -0.0082 0.0089 0.0093 762 LEU 97 CD1 -0.0090 0.0096 0.0103 763 LEU 97 CD2 -0.0096 0.0075 0.0092 764 LEU 97 H -0.0043 0.0106 0.0080 765 LEU 97 HA -0.0063 0.0069 0.0067 766 LEU 97 HB3 -0.0072 0.0071 0.0074 767 LEU 97 HB2 -0.0058 0.0092 0.0079 768 LEU 97 HG -0.0076 0.0100 0.0097 769 LEU 97 HD11 -0.0101 0.0101 0.0114 770 LEU 97 HD12 -0.0080 0.0108 0.0105 771 LEU 97 HD13 -0.0095 0.0087 0.0100 772 LEU 97 HD21 -0.0109 0.0077 0.0102 773 LEU 97 HD22 -0.0097 0.0062 0.0083 774 LEU 97 HD23 -0.0093 0.0077 0.0091 775 GLY 98 N -0.0040 0.0069 0.0043 776 GLY 98 CA -0.0024 0.0062 0.0031 777 GLY 98 C -0.0013 0.0063 0.0028 778 GLY 98 O -0.0018 0.0067 0.0033 779 GLY 98 H -0.0039 0.0079 0.0052 780 GLY 98 HA3 -0.0016 0.0068 0.0034 781 GLY 98 HA2 -0.0029 0.0051 0.0023 782 CYS 99 N 0.0004 0.0059 0.0019 783 CYS 99 CA 0.0017 0.0060 0.0014 784 CYS 99 C 0.0035 0.0070 0.0017 785 CYS 99 O 0.0040 0.0072 0.0017 786 CYS 99 CB 0.0021 0.0045 -0.0001 787 CYS 99 SG 0.0002 0.0030 -0.0007 788 CYS 99 H 0.0008 0.0057 0.0016 789 CYS 99 HA 0.0012 0.0063 0.0019 790 CYS 99 HB3 0.0031 0.0046 -0.0003 791 CYS 99 HB2 0.0028 0.0042 -0.0006 792 ILE 100 N 0.0044 0.0079 0.0004 793 ILE 100 CA 0.0087 0.0083 0.0023 794 ILE 100 C 0.0118 0.0065 -0.0008 795 ILE 100 O 0.0106 0.0058 -0.0027 796 ILE 100 CB 0.0086 0.0099 0.0060 797 ILE 100 CG1 0.0051 0.0117 0.0090 798 ILE 100 CG2 0.0131 0.0104 0.0083 799 ILE 100 CD1 0.0056 0.0123 0.0106 800 ILE 100 H 0.0021 0.0084 0.0008 801 ILE 100 HA 0.0099 0.0086 0.0033 802 ILE 100 HB 0.0077 0.0096 0.0049 803 ILE 100 HG13 0.0053 0.0128 0.0115 804 ILE 100 HG12 0.0019 0.0114 0.0076 805 ILE 100 HG21 0.0129 0.0116 0.0110 806 ILE 100 HG22 0.0155 0.0093 0.0064 807 ILE 100 HG23 0.0144 0.0106 0.0092 808 ILE 100 HD11 0.0034 0.0137 0.0130 809 ILE 100 HD12 0.0089 0.0125 0.0119 810 ILE 100 HD13 0.0049 0.0114 0.0083 811 ASN 101 N 0.0155 0.0059 -0.0013 812 ASN 101 CA 0.0190 0.0043 -0.0039 813 ASN 101 C 0.0224 0.0049 -0.0017 814 ASN 101 O 0.0220 0.0065 0.0019 815 ASN 101 CB 0.0209 0.0031 -0.0059 816 ASN 101 CG 0.0240 0.0039 -0.0034 817 ASN 101 OD1 0.0251 0.0053 0.0001 818 ASN 101 ND2 0.0255 0.0029 -0.0052 819 ASN 101 H 0.0162 0.0066 0.0005 820 ASN 101 HA 0.0176 0.0034 -0.0063 821 ASN 101 HB3 0.0183 0.0029 -0.0073 822 ASN 101 HB2 0.0228 0.0018 -0.0085 823 ASN 101 HD22 0.0278 0.0033 -0.0037 824 ASN 101 HD21 0.0245 0.0018 -0.0080 825 ALA 102 N 0.0290 0.0004 -0.0035 826 ALA 102 CA 0.0356 -0.0001 0.0011 827 ALA 102 C 0.0385 0.0018 0.0052 828 ALA 102 O 0.0418 0.0044 0.0104 829 ALA 102 CB 0.0402 -0.0062 -0.0018 830 ALA 102 H 0.0285 -0.0033 -0.0076 831 ALA 102 HA 0.0353 0.0028 0.0038 832 ALA 102 HB1 0.0451 -0.0067 0.0016 833 ALA 102 HB2 0.0385 -0.0075 -0.0043 834 ALA 102 HB3 0.0405 -0.0093 -0.0046 835 GLY 104 N 0.0372 0.0124 0.0125 836 GLY 104 CA 0.0318 0.0163 0.0176 837 GLY 104 C 0.0268 0.0170 0.0182 838 GLY 104 O 0.0232 0.0206 0.0231 839 GLY 104 H 0.0358 0.0097 0.0082 840 GLY 104 HA3 0.0349 0.0191 0.0222 841 GLY 104 HA2 0.0281 0.0159 0.0167 842 ASN 105 N 0.0267 0.0139 0.0135 843 ASN 105 CA 0.0221 0.0141 0.0133 844 ASN 105 C 0.0146 0.0121 0.0094 845 ASN 105 O 0.0143 0.0094 0.0053 846 ASN 105 CB 0.0267 0.0116 0.0101 847 ASN 105 CG 0.0336 0.0137 0.0140 848 ASN 105 OD1 0.0364 0.0124 0.0124 849 ASN 105 ND2 0.0365 0.0169 0.0190 850 ASN 105 H 0.0293 0.0109 0.0094 851 ASN 105 HA 0.0209 0.0174 0.0181 852 ASN 105 HB3 0.0229 0.0113 0.0091 853 ASN 105 HB2 0.0286 0.0083 0.0054 854 ASN 105 HD22 0.0414 0.0179 0.0212 855 ASN 105 HD21 0.0346 0.0177 0.0201 856 VAL 106 N 0.0090 0.0136 0.0071 857 VAL 106 CA 0.0061 0.0119 0.0063 858 VAL 106 C 0.0055 0.0093 0.0047 859 VAL 106 O 0.0046 0.0097 0.0050 860 VAL 106 CB 0.0028 0.0137 0.0075 861 VAL 106 CG1 -0.0004 0.0119 0.0067 862 VAL 106 CG2 0.0031 0.0164 0.0092 863 VAL 106 H 0.0085 0.0151 0.0081 864 VAL 106 HA 0.0066 0.0112 0.0058 865 VAL 106 HB 0.0023 0.0144 0.0080 866 VAL 106 HG11 -0.0026 0.0132 0.0076 867 VAL 106 HG12 -0.0011 0.0101 0.0057 868 VAL 106 HG13 -0.0000 0.0109 0.0060 869 VAL 106 HG21 0.0009 0.0177 0.0101 870 VAL 106 HG22 0.0033 0.0158 0.0088 871 VAL 106 HG23 0.0053 0.0178 0.0098 872 ASP 107 N 0.0061 0.0067 0.0031 873 ASP 107 CA 0.0051 0.0039 0.0015 874 ASP 107 C 0.0013 0.0034 0.0015 875 ASP 107 O 0.0003 0.0036 0.0017 876 ASP 107 CB 0.0072 0.0013 -0.0001 877 ASP 107 CG 0.0062 -0.0016 -0.0018 878 ASP 107 OD1 0.0047 -0.0017 -0.0018 879 ASP 107 OD2 0.0072 -0.0038 -0.0032 880 ASP 107 H 0.0068 0.0065 0.0030 881 ASP 107 HA 0.0055 0.0041 0.0017 882 ASP 107 HB3 0.0070 0.0012 -0.0002 883 ASP 107 HB2 0.0098 0.0018 -0.0000 884 TYR 108 N -0.0013 0.0037 0.0029 885 TYR 108 CA -0.0034 0.0040 0.0020 886 TYR 108 C -0.0040 0.0021 0.0011 887 TYR 108 O -0.0057 0.0023 0.0004 888 TYR 108 CB -0.0048 0.0045 0.0014 889 TYR 108 CG -0.0049 0.0027 0.0009 890 TYR 108 CD1 -0.0035 0.0025 0.0015 891 TYR 108 CD2 -0.0063 0.0012 -0.0002 892 TYR 108 CE1 -0.0036 0.0008 0.0009 893 TYR 108 CE2 -0.0063 -0.0005 -0.0008 894 TYR 108 CZ -0.0049 -0.0007 -0.0002 895 TYR 108 OH -0.0049 -0.0024 -0.0007 896 TYR 108 H -0.0009 0.0026 0.0027 897 TYR 108 HA -0.0036 0.0055 0.0023 898 TYR 108 HB3 -0.0044 0.0060 0.0021 899 TYR 108 HB2 -0.0064 0.0050 0.0008 900 TYR 108 HD1 -0.0024 0.0037 0.0023 901 TYR 108 HD2 -0.0073 0.0013 -0.0007 902 TYR 108 HE1 -0.0025 0.0007 0.0014 903 TYR 108 HE2 -0.0074 -0.0017 -0.0016 904 TYR 108 HH -0.0054 -0.0037 -0.0013 905 HIS 109 N -0.0027 0.0003 0.0012 906 HIS 109 CA -0.0030 -0.0015 0.0005 907 HIS 109 C -0.0027 -0.0011 0.0007 908 HIS 109 O -0.0036 -0.0021 0.0000 909 HIS 109 CB -0.0017 -0.0036 0.0004 910 HIS 109 CG -0.0020 -0.0042 0.0001 911 HIS 109 ND1 -0.0006 -0.0037 0.0009 912 HIS 109 CD2 -0.0034 -0.0052 -0.0008 913 HIS 109 CE1 -0.0013 -0.0044 0.0004 914 HIS 109 NE2 -0.0030 -0.0053 -0.0007 915 HIS 109 H -0.0013 0.0002 0.0018 916 HIS 109 HA -0.0046 -0.0018 -0.0004 917 HIS 109 HB3 -0.0020 -0.0050 -0.0001 918 HIS 109 HB2 -0.0001 -0.0035 0.0013 919 HIS 109 HD1 0.0005 -0.0028 0.0018 920 HIS 109 HD2 -0.0047 -0.0059 -0.0017 921 HIS 109 HE1 -0.0006 -0.0041 0.0008 922 MET 110 N -0.0018 0.0013 0.0003 923 MET 110 CA -0.0017 0.0014 0.0003 924 MET 110 C -0.0023 0.0020 0.0005 925 MET 110 O -0.0026 0.0025 0.0007 926 MET 110 CB -0.0008 0.0015 0.0005 927 MET 110 CG -0.0002 0.0008 0.0003 928 MET 110 SD -0.0004 -0.0001 -0.0001 929 MET 110 CE 0.0000 0.0001 0.0001 930 MET 110 H -0.0015 0.0017 0.0005 931 MET 110 HA -0.0019 0.0009 0.0001 932 MET 110 HB3 -0.0008 0.0016 0.0006 933 MET 110 HB2 -0.0006 0.0020 0.0008 934 MET 110 HG3 0.0004 0.0009 0.0005 935 MET 110 HG2 -0.0003 0.0007 0.0002 936 MET 110 HE1 0.0000 -0.0003 -0.0002 937 MET 110 HE2 0.0007 0.0003 0.0002 938 MET 110 HE3 -0.0003 0.0006 0.0002 939 ASN 111 N -0.0025 0.0021 0.0005 940 ASN 111 CA -0.0030 0.0027 0.0007 941 ASN 111 C -0.0026 0.0031 0.0010 942 ASN 111 O -0.0023 0.0027 0.0008 943 ASN 111 CB -0.0038 0.0024 0.0004 944 ASN 111 CG -0.0044 0.0020 0.0002 945 ASN 111 OD1 -0.0050 0.0017 -0.0001 946 ASN 111 ND2 -0.0043 0.0021 0.0003 947 ASN 111 H -0.0022 0.0017 0.0004 948 ASN 111 HA -0.0032 0.0031 0.0009 949 ASN 111 HB3 -0.0042 0.0028 0.0006 950 ASN 111 HB2 -0.0037 0.0019 0.0003 951 ASN 111 HD22 -0.0047 0.0019 0.0001 952 ASN 111 HD21 -0.0038 0.0024 0.0004 953 SER 112 N -0.0010 0.0038 0.0012 954 SER 112 CA -0.0008 0.0040 0.0011 955 SER 112 C -0.0011 0.0038 0.0012 956 SER 112 O -0.0016 0.0040 0.0013 957 SER 112 CB -0.0007 0.0046 0.0011 958 SER 112 OG -0.0003 0.0048 0.0011 959 SER 112 H -0.0013 0.0041 0.0012 960 SER 112 HA -0.0004 0.0038 0.0010 961 SER 112 HB3 -0.0006 0.0047 0.0011 962 SER 112 HB2 -0.0011 0.0048 0.0012 963 SER 112 HG -0.0005 0.0049 0.0011 964 VAL 113 N -0.0009 0.0034 0.0011 965 VAL 113 CA -0.0012 0.0033 0.0012 966 VAL 113 C -0.0009 0.0034 0.0011 967 VAL 113 O -0.0004 0.0033 0.0010 968 VAL 113 CB -0.0013 0.0026 0.0012 969 VAL 113 CG1 -0.0018 0.0025 0.0013 970 VAL 113 CG2 -0.0009 0.0023 0.0010 971 VAL 113 H -0.0006 0.0033 0.0010 972 VAL 113 HA -0.0016 0.0035 0.0013 973 VAL 113 HB -0.0015 0.0025 0.0012 974 VAL 113 HG11 -0.0019 0.0021 0.0013 975 VAL 113 HG12 -0.0021 0.0028 0.0014 976 VAL 113 HG13 -0.0016 0.0026 0.0012 977 VAL 113 HG21 -0.0010 0.0019 0.0010 978 VAL 113 HG22 -0.0006 0.0024 0.0010 979 VAL 113 HG23 -0.0006 0.0023 0.0010 980 PRO 114 N 0.0007 0.0036 0.0001 981 PRO 114 CA 0.0007 0.0037 0.0001 982 PRO 114 C 0.0006 0.0032 -0.0001 983 PRO 114 O 0.0003 0.0030 -0.0002 984 PRO 114 CB 0.0003 0.0039 0.0004 985 PRO 114 CG -0.0001 0.0038 0.0004 986 PRO 114 CD 0.0003 0.0037 0.0003 987 PRO 114 HA 0.0010 0.0038 0.0002 988 PRO 114 HB3 0.0004 0.0042 0.0006 989 PRO 114 HB2 0.0001 0.0039 0.0004 990 PRO 114 HG3 -0.0003 0.0040 0.0006 991 PRO 114 HG2 -0.0003 0.0035 0.0003 992 PRO 114 HD2 0.0001 0.0035 0.0002 993 PRO 114 HD3 0.0003 0.0040 0.0004 994 ILE 115 N 0.0009 0.0032 -0.0002 995 ILE 115 CA 0.0009 0.0029 -0.0004 996 ILE 115 C 0.0005 0.0030 -0.0003 997 ILE 115 O 0.0006 0.0033 -0.0001 998 ILE 115 CB 0.0014 0.0028 -0.0006 999 ILE 115 CG1 0.0018 0.0028 -0.0007 1000 ILE 115 CG2 0.0013 0.0024 -0.0008 1001 ILE 115 CD1 0.0023 0.0027 -0.0008 1002 ILE 115 H 0.0012 0.0035 -0.0001 1003 ILE 115 HA 0.0008 0.0026 -0.0006 1004 ILE 115 HB 0.0015 0.0031 -0.0004 1005 ILE 115 HG13 0.0018 0.0030 -0.0005 1006 ILE 115 HG12 0.0017 0.0025 -0.0009 1007 ILE 115 HG21 0.0016 0.0024 -0.0009 1008 ILE 115 HG22 0.0010 0.0025 -0.0007 1009 ILE 115 HG23 0.0012 0.0021 -0.0010 1010 ILE 115 HD11 0.0025 0.0030 -0.0007 1011 ILE 115 HD12 0.0023 0.0028 -0.0008 1012 ILE 115 HD13 0.0024 0.0024 -0.0011 1013 GLN 116 N -0.0001 0.0035 -0.0008 1014 GLN 116 CA -0.0012 0.0038 -0.0006 1015 GLN 116 C -0.0018 0.0036 -0.0011 1016 GLN 116 O -0.0016 0.0032 -0.0019 1017 GLN 116 CB -0.0017 0.0037 -0.0008 1018 GLN 116 CG -0.0011 0.0038 -0.0004 1019 GLN 116 CD -0.0017 0.0041 0.0000 1020 GLN 116 OE1 -0.0026 0.0040 -0.0003 1021 GLN 116 NE2 -0.0013 0.0044 0.0008 1022 GLN 116 H -0.0000 0.0032 -0.0015 1023 GLN 116 HA -0.0013 0.0041 0.0002 1024 GLN 116 HB3 -0.0025 0.0039 -0.0005 1025 GLN 116 HB2 -0.0019 0.0033 -0.0016 1026 GLN 116 HG3 -0.0006 0.0035 -0.0010 1027 GLN 116 HG2 -0.0005 0.0040 0.0001 1028 GLN 116 HE22 -0.0018 0.0046 0.0011 1029 GLN 116 HE21 -0.0006 0.0045 0.0011 1030 GLN 117 N -0.0024 0.0039 -0.0006 1031 GLN 117 CA -0.0030 0.0038 -0.0009 1032 GLN 117 C -0.0042 0.0040 -0.0007 1033 GLN 117 O -0.0044 0.0044 0.0001 1034 GLN 117 CB -0.0026 0.0040 -0.0004 1035 GLN 117 CG -0.0015 0.0037 -0.0007 1036 GLN 117 CD -0.0014 0.0032 -0.0018 1037 GLN 117 OE1 -0.0022 0.0031 -0.0022 1038 GLN 117 NE2 -0.0005 0.0029 -0.0022 1039 GLN 117 H -0.0025 0.0042 0.0001 1040 GLN 117 HA -0.0029 0.0034 -0.0017 1041 GLN 117 HB3 -0.0031 0.0039 -0.0006 1042 GLN 117 HB2 -0.0026 0.0043 0.0003 1043 GLN 117 HG3 -0.0012 0.0039 -0.0003 1044 GLN 117 HG2 -0.0009 0.0037 -0.0006 1045 GLN 117 HE22 -0.0005 0.0026 -0.0028 1046 GLN 117 HE21 0.0002 0.0030 -0.0018 1047 GLU 118 N -0.0069 0.0044 -0.0001 1048 GLU 118 CA -0.0072 0.0040 0.0000 1049 GLU 118 C -0.0077 0.0037 -0.0000 1050 GLU 118 O -0.0079 0.0038 -0.0004 1051 GLU 118 CB -0.0074 0.0041 -0.0003 1052 GLU 118 CG -0.0070 0.0043 -0.0001 1053 GLU 118 CD -0.0072 0.0043 -0.0004 1054 GLU 118 OE1 -0.0075 0.0044 -0.0007 1055 GLU 118 OE2 -0.0071 0.0043 -0.0001 1056 GLU 118 H -0.0070 0.0046 -0.0004 1057 GLU 118 HA -0.0071 0.0039 0.0004 1058 GLU 118 HB3 -0.0077 0.0039 -0.0003 1059 GLU 118 HB2 -0.0074 0.0044 -0.0006 1060 GLU 118 HG3 -0.0067 0.0046 -0.0001 1061 GLU 118 HG2 -0.0070 0.0041 0.0003 1062 ILE 119 N -0.0077 0.0034 0.0004 1063 ILE 119 CA -0.0081 0.0030 0.0004 1064 ILE 119 C -0.0083 0.0027 0.0006 1065 ILE 119 O -0.0081 0.0026 0.0010 1066 ILE 119 CB -0.0079 0.0030 0.0007 1067 ILE 119 CG1 -0.0078 0.0033 0.0004 1068 ILE 119 CG2 -0.0082 0.0025 0.0009 1069 ILE 119 CD1 -0.0081 0.0033 -0.0000 1070 ILE 119 H -0.0075 0.0033 0.0007 1071 ILE 119 HA -0.0083 0.0031 0.0000 1072 ILE 119 HB -0.0076 0.0030 0.0010 1073 ILE 119 HG13 -0.0076 0.0033 0.0007 1074 ILE 119 HG12 -0.0075 0.0036 0.0003 1075 ILE 119 HG21 -0.0081 0.0025 0.0011 1076 ILE 119 HG22 -0.0083 0.0023 0.0012 1077 ILE 119 HG23 -0.0086 0.0025 0.0006 1078 ILE 119 HD11 -0.0080 0.0035 -0.0001 1079 ILE 119 HD12 -0.0084 0.0030 -0.0000 1080 ILE 119 HD13 -0.0082 0.0035 -0.0003 1081 LEU 120 N -0.0090 0.0017 0.0015 1082 LEU 120 CA -0.0084 0.0016 0.0014 1083 LEU 120 C -0.0084 0.0012 0.0008 1084 LEU 120 O -0.0088 0.0011 0.0006 1085 LEU 120 CB -0.0082 0.0017 0.0016 1086 LEU 120 CG -0.0081 0.0020 0.0022 1087 LEU 120 CD1 -0.0080 0.0021 0.0025 1088 LEU 120 CD2 -0.0076 0.0021 0.0024 1089 LEU 120 H -0.0093 0.0017 0.0015 1090 LEU 120 HA -0.0081 0.0016 0.0015 1091 LEU 120 HB3 -0.0078 0.0016 0.0015 1092 LEU 120 HB2 -0.0085 0.0017 0.0016 1093 LEU 120 HG -0.0085 0.0021 0.0024 1094 LEU 120 HD11 -0.0079 0.0024 0.0029 1095 LEU 120 HD12 -0.0083 0.0021 0.0024 1096 LEU 120 HD13 -0.0076 0.0020 0.0023 1097 LEU 120 HD21 -0.0074 0.0023 0.0028 1098 LEU 120 HD22 -0.0072 0.0019 0.0021 1099 LEU 120 HD23 -0.0077 0.0021 0.0024 1100 VAL 121 N -0.0080 0.0011 0.0005 1101 VAL 121 CA -0.0079 0.0008 -0.0000 1102 VAL 121 C -0.0072 0.0007 -0.0001 1103 VAL 121 O -0.0068 0.0009 0.0003 1104 VAL 121 CB -0.0080 0.0006 -0.0004 1105 VAL 121 CG1 -0.0087 0.0006 -0.0004 1106 VAL 121 CG2 -0.0076 0.0007 -0.0002 1107 VAL 121 H -0.0076 0.0012 0.0007 1108 VAL 121 HA -0.0081 0.0007 -0.0002 1109 VAL 121 HB -0.0079 0.0004 -0.0008 1110 VAL 121 HG11 -0.0088 0.0005 -0.0006 1111 VAL 121 HG12 -0.0089 0.0006 -0.0005 1112 VAL 121 HG13 -0.0088 0.0009 0.0000 1113 VAL 121 HG21 -0.0078 0.0005 -0.0004 1114 VAL 121 HG22 -0.0077 0.0009 0.0002 1115 VAL 121 HG23 -0.0071 0.0006 -0.0003 1116 LEU 122 N -0.0074 -0.0004 -0.0003 1117 LEU 122 CA -0.0063 -0.0000 -0.0007 1118 LEU 122 C -0.0061 -0.0004 -0.0018 1119 LEU 122 O -0.0065 -0.0010 -0.0024 1120 LEU 122 CB -0.0063 -0.0000 -0.0007 1121 LEU 122 CG -0.0065 0.0004 0.0003 1122 LEU 122 CD1 -0.0065 0.0003 0.0002 1123 LEU 122 CD2 -0.0058 0.0011 0.0010 1124 LEU 122 H -0.0079 -0.0008 -0.0005 1125 LEU 122 HA -0.0059 0.0005 -0.0002 1126 LEU 122 HB3 -0.0055 0.0002 -0.0011 1127 LEU 122 HB2 -0.0068 -0.0005 -0.0011 1128 LEU 122 HG -0.0072 0.0001 0.0007 1129 LEU 122 HD11 -0.0070 0.0003 0.0008 1130 LEU 122 HD12 -0.0066 -0.0001 -0.0005 1131 LEU 122 HD13 -0.0058 0.0008 0.0003 1132 LEU 122 HD21 -0.0060 0.0014 0.0017 1133 LEU 122 HD22 -0.0051 0.0014 0.0006 1134 LEU 122 HD23 -0.0059 0.0012 0.0011 1135 ARG 123 N -0.0053 -0.0001 -0.0020 1136 ARG 123 CA -0.0048 -0.0004 -0.0030 1137 ARG 123 C -0.0039 0.0000 -0.0033 1138 ARG 123 O -0.0034 0.0006 -0.0027 1139 ARG 123 CB -0.0046 -0.0003 -0.0031 1140 ARG 123 CG -0.0042 -0.0006 -0.0042 1141 ARG 123 CD -0.0042 -0.0008 -0.0045 1142 ARG 123 NE -0.0053 -0.0013 -0.0043 1143 ARG 123 CZ -0.0060 -0.0019 -0.0048 1144 ARG 123 NH1 -0.0058 -0.0023 -0.0057 1145 ARG 123 NH2 -0.0069 -0.0022 -0.0044 1146 ARG 123 H -0.0049 0.0004 -0.0015 1147 ARG 123 HA -0.0053 -0.0009 -0.0035 1148 ARG 123 HB3 -0.0042 0.0002 -0.0026 1149 ARG 123 HB2 -0.0053 -0.0006 -0.0029 1150 ARG 123 HG3 -0.0045 -0.0010 -0.0048 1151 ARG 123 HG2 -0.0034 -0.0002 -0.0044 1152 ARG 123 HD3 -0.0039 -0.0010 -0.0053 1153 ARG 123 HD2 -0.0038 -0.0003 -0.0041 1154 ARG 123 HH22 -0.0074 -0.0027 -0.0048 1155 ARG 123 HH21 -0.0070 -0.0020 -0.0037 1156 ARG 123 HH12 -0.0064 -0.0028 -0.0060 1157 ARG 123 HH11 -0.0052 -0.0021 -0.0060 1158 ARG 123 HE -0.0055 -0.0011 -0.0037 1159 ARG 124 N -0.0037 -0.0010 -0.0051 1160 ARG 124 CA -0.0024 -0.0009 -0.0057 1161 ARG 124 C -0.0014 -0.0006 -0.0053 1162 ARG 124 O -0.0016 -0.0007 -0.0054 1163 ARG 124 CB -0.0025 -0.0014 -0.0071 1164 ARG 124 CG -0.0035 -0.0017 -0.0076 1165 ARG 124 CD -0.0035 -0.0022 -0.0091 1166 ARG 124 NE -0.0047 -0.0025 -0.0095 1167 ARG 124 CZ -0.0049 -0.0026 -0.0095 1168 ARG 124 NH1 -0.0040 -0.0023 -0.0092 1169 ARG 124 NH2 -0.0060 -0.0029 -0.0100 1170 ARG 124 H -0.0044 -0.0013 -0.0057 1171 ARG 124 HA -0.0022 -0.0008 -0.0054 1172 ARG 124 HB3 -0.0015 -0.0014 -0.0076 1173 ARG 124 HB2 -0.0027 -0.0016 -0.0075 1174 ARG 124 HG3 -0.0045 -0.0018 -0.0072 1175 ARG 124 HG2 -0.0032 -0.0016 -0.0073 1176 ARG 124 HD3 -0.0027 -0.0022 -0.0095 1177 ARG 124 HD2 -0.0035 -0.0023 -0.0095 1178 ARG 124 HH22 -0.0062 -0.0030 -0.0101 1179 ARG 124 HH21 -0.0067 -0.0031 -0.0101 1180 ARG 124 HH12 -0.0041 -0.0023 -0.0092 1181 ARG 124 HH11 -0.0031 -0.0021 -0.0089 1182 ARG 124 HE -0.0053 -0.0028 -0.0098 1183 GLU 125 N -0.0003 -0.0003 -0.0048 1184 GLU 125 CA 0.0008 0.0000 -0.0045 1185 GLU 125 C 0.0020 0.0001 -0.0049 1186 GLU 125 O 0.0022 0.0003 -0.0043 1187 GLU 125 CB 0.0007 0.0004 -0.0031 1188 GLU 125 CG 0.0018 0.0008 -0.0026 1189 GLU 125 CD 0.0017 0.0012 -0.0013 1190 GLU 125 OE1 0.0007 0.0011 -0.0010 1191 GLU 125 OE2 0.0025 0.0016 -0.0005 1192 GLU 125 H -0.0002 -0.0003 -0.0048 1193 GLU 125 HA 0.0008 -0.0001 -0.0049 1194 GLU 125 HB3 0.0006 0.0006 -0.0025 1195 GLU 125 HB2 -0.0002 0.0003 -0.0029 1196 GLU 125 HG3 0.0020 0.0006 -0.0032 1197 GLU 125 HG2 0.0027 0.0009 -0.0027 1198 PRO 126 N 0.0045 0.0004 -0.0070 1199 PRO 126 CA 0.0041 0.0001 -0.0081 1200 PRO 126 C 0.0026 -0.0004 -0.0092 1201 PRO 126 O 0.0021 -0.0006 -0.0094 1202 PRO 126 CB 0.0057 0.0002 -0.0091 1203 PRO 126 CG 0.0066 0.0004 -0.0092 1204 PRO 126 CD 0.0061 0.0006 -0.0075 1205 PRO 126 HA 0.0039 0.0002 -0.0073 1206 PRO 126 HB3 0.0065 0.0005 -0.0084 1207 PRO 126 HB2 0.0056 -0.0000 -0.0103 1208 PRO 126 HG3 0.0080 0.0007 -0.0094 1209 PRO 126 HG2 0.0061 0.0001 -0.0101 1210 PRO 126 HD2 0.0061 0.0006 -0.0075 1211 PRO 126 HD3 0.0070 0.0010 -0.0065 1212 PRO 127 N 0.0019 -0.0007 -0.0100 1213 PRO 127 CA 0.0006 -0.0012 -0.0112 1214 PRO 127 C 0.0010 -0.0014 -0.0126 1215 PRO 127 O 0.0025 -0.0012 -0.0131 1216 PRO 127 CB 0.0004 -0.0014 -0.0118 1217 PRO 127 CG 0.0010 -0.0010 -0.0105 1218 PRO 127 CD 0.0024 -0.0006 -0.0097 1219 PRO 127 HA -0.0005 -0.0013 -0.0105 1220 PRO 127 HB3 -0.0009 -0.0017 -0.0122 1221 PRO 127 HB2 0.0012 -0.0015 -0.0130 1222 PRO 127 HG3 -0.0000 -0.0010 -0.0095 1223 PRO 127 HG2 0.0013 -0.0010 -0.0109 1224 PRO 127 HD2 0.0035 -0.0005 -0.0105 1225 PRO 127 HD3 0.0026 -0.0003 -0.0085 1226 HIS 128 N 0.0000 -0.0018 -0.0121 1227 HIS 128 CA 0.0000 -0.0021 -0.0135 1228 HIS 128 C 0.0008 -0.0019 -0.0131 1229 HIS 128 O 0.0009 -0.0022 -0.0142 1230 HIS 128 CB 0.0007 -0.0025 -0.0152 1231 HIS 128 CG 0.0002 -0.0027 -0.0156 1232 HIS 128 ND1 -0.0015 -0.0028 -0.0153 1233 HIS 128 CD2 0.0011 -0.0028 -0.0162 1234 HIS 128 CE1 -0.0016 -0.0029 -0.0158 1235 HIS 128 NE2 -0.0000 -0.0029 -0.0163 1236 HIS 128 H -0.0012 -0.0018 -0.0116 1237 HIS 128 HA -0.0014 -0.0024 -0.0137 1238 HIS 128 HB3 0.0004 -0.0028 -0.0162 1239 HIS 128 HB2 0.0022 -0.0024 -0.0152 1240 HIS 128 HD1 -0.0026 -0.0028 -0.0148 1241 HIS 128 HD2 0.0024 -0.0027 -0.0166 1242 HIS 128 HE1 -0.0027 -0.0030 -0.0156 1243 SER 129 N 0.0014 -0.0014 -0.0115 1244 SER 129 CA 0.0022 -0.0012 -0.0110 1245 SER 129 C 0.0009 -0.0014 -0.0110 1246 SER 129 O -0.0005 -0.0013 -0.0102 1247 SER 129 CB 0.0030 -0.0006 -0.0092 1248 SER 129 OG 0.0037 -0.0004 -0.0087 1249 SER 129 H 0.0014 -0.0012 -0.0107 1250 SER 129 HA 0.0033 -0.0013 -0.0119 1251 SER 129 HB3 0.0020 -0.0005 -0.0083 1252 SER 129 HB2 0.0040 -0.0005 -0.0092 1253 SER 129 HG 0.0043 -0.0000 -0.0076 1254 PRO 130 N 0.0022 -0.0028 -0.0139 1255 PRO 130 CA 0.0003 -0.0031 -0.0136 1256 PRO 130 C 0.0001 -0.0021 -0.0111 1257 PRO 130 O -0.0018 -0.0023 -0.0105 1258 PRO 130 CB 0.0011 -0.0037 -0.0155 1259 PRO 130 CG 0.0039 -0.0031 -0.0158 1260 PRO 130 CD 0.0043 -0.0029 -0.0154 1261 PRO 130 HA -0.0014 -0.0036 -0.0139 1262 PRO 130 HB3 0.0004 -0.0045 -0.0171 1263 PRO 130 HB2 0.0005 -0.0037 -0.0151 1264 PRO 130 HG3 0.0047 -0.0036 -0.0175 1265 PRO 130 HG2 0.0047 -0.0024 -0.0144 1266 PRO 130 HD2 0.0060 -0.0022 -0.0147 1267 PRO 130 HD3 0.0044 -0.0035 -0.0170 1268 ASN 131 N 0.0021 -0.0011 -0.0098 1269 ASN 131 CA 0.0024 -0.0003 -0.0079 1270 ASN 131 C 0.0032 0.0008 -0.0057 1271 ASN 131 O 0.0036 0.0016 -0.0040 1272 ASN 131 CB 0.0040 -0.0002 -0.0086 1273 ASN 131 CG 0.0068 0.0003 -0.0091 1274 ASN 131 OD1 0.0075 0.0003 -0.0094 1275 ASN 131 ND2 0.0083 0.0006 -0.0093 1276 ASN 131 H 0.0035 -0.0010 -0.0104 1277 ASN 131 HA 0.0006 -0.0004 -0.0072 1278 ASN 131 HB3 0.0034 -0.0009 -0.0102 1279 ASN 131 HB2 0.0039 0.0003 -0.0073 1280 ASN 131 HD22 0.0101 0.0008 -0.0097 1281 ASN 131 HD21 0.0077 0.0005 -0.0090 1282 SER 132 N 0.0014 0.0002 -0.0049 1283 SER 132 CA 0.0018 0.0005 -0.0035 1284 SER 132 C 0.0006 0.0004 -0.0033 1285 SER 132 O 0.0002 0.0001 -0.0043 1286 SER 132 CB 0.0034 0.0008 -0.0037 1287 SER 132 OG 0.0036 0.0006 -0.0049 1288 SER 132 H 0.0011 -0.0001 -0.0057 1289 SER 132 HA 0.0018 0.0008 -0.0026 1290 SER 132 HB3 0.0042 0.0009 -0.0040 1291 SER 132 HB2 0.0037 0.0011 -0.0027 1292 SER 132 HG 0.0032 0.0006 -0.0045 1293 PHE 133 N -0.0001 0.0005 -0.0019 1294 PHE 133 CA -0.0014 0.0004 -0.0015 1295 PHE 133 C -0.0012 0.0008 0.0000 1296 PHE 133 O -0.0003 0.0012 0.0009 1297 PHE 133 CB -0.0029 0.0001 -0.0013 1298 PHE 133 CG -0.0033 -0.0003 -0.0027 1299 PHE 133 CD1 -0.0027 -0.0003 -0.0031 1300 PHE 133 CD2 -0.0044 -0.0008 -0.0036 1301 PHE 133 CE1 -0.0030 -0.0007 -0.0044 1302 PHE 133 CE2 -0.0048 -0.0011 -0.0049 1303 PHE 133 CZ -0.0041 -0.0011 -0.0053 1304 PHE 133 H 0.0001 0.0008 -0.0011 1305 PHE 133 HA -0.0016 0.0001 -0.0023 1306 PHE 133 HB3 -0.0038 0.0000 -0.0009 1307 PHE 133 HB2 -0.0027 0.0003 -0.0004 1308 PHE 133 HD1 -0.0018 0.0001 -0.0024 1309 PHE 133 HD2 -0.0049 -0.0008 -0.0034 1310 PHE 133 HE1 -0.0025 -0.0006 -0.0047 1311 PHE 133 HE2 -0.0056 -0.0015 -0.0057 1312 PHE 133 HZ -0.0044 -0.0014 -0.0063 1313 ARG 134 N -0.0024 0.0002 -0.0006 1314 ARG 134 CA -0.0026 0.0003 0.0005 1315 ARG 134 C -0.0037 0.0005 0.0007 1316 ARG 134 O -0.0043 0.0005 0.0000 1317 ARG 134 CB -0.0023 0.0004 0.0009 1318 ARG 134 CG -0.0024 0.0005 0.0021 1319 ARG 134 CD -0.0024 0.0005 0.0025 1320 ARG 134 NE -0.0014 0.0004 0.0024 1321 ARG 134 CZ -0.0007 0.0004 0.0031 1322 ARG 134 NH1 -0.0009 0.0005 0.0040 1323 ARG 134 NH2 0.0002 0.0003 0.0028 1324 ARG 134 H -0.0029 0.0002 -0.0010 1325 ARG 134 HA -0.0021 0.0003 0.0009 1326 ARG 134 HB3 -0.0028 0.0004 0.0005 1327 ARG 134 HB2 -0.0016 0.0003 0.0007 1328 ARG 134 HG3 -0.0018 0.0005 0.0024 1329 ARG 134 HG2 -0.0031 0.0006 0.0024 1330 ARG 134 HD3 -0.0027 0.0006 0.0032 1331 ARG 134 HD2 -0.0029 0.0005 0.0020 1332 ARG 134 HH22 0.0006 0.0003 0.0033 1333 ARG 134 HH21 0.0003 0.0002 0.0020 1334 ARG 134 HH12 -0.0004 0.0005 0.0046 1335 ARG 134 HH11 -0.0015 0.0006 0.0042 1336 ARG 134 HE -0.0012 0.0003 0.0016 1337 LEU 135 N -0.0039 0.0006 0.0015 1338 LEU 135 CA -0.0049 0.0007 0.0019 1339 LEU 135 C -0.0053 0.0008 0.0022 1340 LEU 135 O -0.0049 0.0008 0.0027 1341 LEU 135 CB -0.0049 0.0008 0.0029 1342 LEU 135 CG -0.0048 0.0008 0.0027 1343 LEU 135 CD1 -0.0048 0.0009 0.0037 1344 LEU 135 CD2 -0.0057 0.0008 0.0021 1345 LEU 135 H -0.0033 0.0006 0.0020 1346 LEU 135 HA -0.0053 0.0007 0.0013 1347 LEU 135 HB3 -0.0056 0.0009 0.0033 1348 LEU 135 HB2 -0.0043 0.0008 0.0034 1349 LEU 135 HG -0.0042 0.0007 0.0023 1350 LEU 135 HD11 -0.0047 0.0009 0.0036 1351 LEU 135 HD12 -0.0042 0.0009 0.0042 1352 LEU 135 HD13 -0.0055 0.0010 0.0041 1353 LEU 135 HD21 -0.0056 0.0008 0.0019 1354 LEU 135 HD22 -0.0064 0.0009 0.0025 1355 LEU 135 HD23 -0.0059 0.0008 0.0014 1356 GLU 136 N -0.0065 0.0007 0.0010 1357 GLU 136 CA -0.0066 0.0008 0.0012 1358 GLU 136 C -0.0070 0.0009 0.0013 1359 GLU 136 O -0.0073 0.0009 0.0011 1360 GLU 136 CB -0.0065 0.0006 0.0009 1361 GLU 136 CG -0.0067 0.0007 0.0010 1362 GLU 136 CD -0.0065 0.0005 0.0007 1363 GLU 136 OE1 -0.0068 0.0005 0.0005 1364 GLU 136 OE2 -0.0062 0.0004 0.0007 1365 GLU 136 H -0.0067 0.0006 0.0008 1366 GLU 136 HA -0.0064 0.0008 0.0014 1367 GLU 136 HB3 -0.0067 0.0005 0.0006 1368 GLU 136 HB2 -0.0062 0.0005 0.0009 1369 GLU 136 HG3 -0.0066 0.0008 0.0013 1370 GLU 136 HG2 -0.0070 0.0008 0.0010 1371 LYS 137 N -0.0071 0.0011 0.0016 1372 LYS 137 CA -0.0075 0.0013 0.0017 1373 LYS 137 C -0.0077 0.0013 0.0016 1374 LYS 137 O -0.0075 0.0013 0.0017 1375 LYS 137 CB -0.0075 0.0015 0.0021 1376 LYS 137 CG -0.0079 0.0016 0.0022 1377 LYS 137 CD -0.0079 0.0018 0.0026 1378 LYS 137 CE -0.0077 0.0019 0.0029 1379 LYS 137 NZ -0.0078 0.0021 0.0033 1380 LYS 137 H -0.0069 0.0011 0.0017 1381 LYS 137 HA -0.0077 0.0012 0.0016 1382 LYS 137 HB3 -0.0074 0.0015 0.0023 1383 LYS 137 HB2 -0.0073 0.0014 0.0022 1384 LYS 137 HG3 -0.0080 0.0016 0.0021 1385 LYS 137 HG2 -0.0081 0.0016 0.0021 1386 LYS 137 HD3 -0.0082 0.0019 0.0026 1387 LYS 137 HD2 -0.0079 0.0019 0.0027 1388 LYS 137 HE3 -0.0074 0.0018 0.0029 1389 LYS 137 HE2 -0.0078 0.0019 0.0028 1390 LYS 137 HZ1 -0.0078 0.0022 0.0034 1391 LYS 137 HZ2 -0.0081 0.0022 0.0032 1392 LYS 137 HZ3 -0.0077 0.0022 0.0034 1393 ILE 138 N -0.0070 0.0019 0.0002 1394 ILE 138 CA -0.0066 0.0020 0.0004 1395 ILE 138 C -0.0066 0.0023 0.0001 1396 ILE 138 O -0.0068 0.0025 -0.0002 1397 ILE 138 CB -0.0067 0.0016 0.0006 1398 ILE 138 CG1 -0.0070 0.0015 0.0004 1399 ILE 138 CG2 -0.0067 0.0013 0.0009 1400 ILE 138 CD1 -0.0070 0.0013 0.0006 1401 ILE 138 H -0.0072 0.0019 -0.0000 1402 ILE 138 HA -0.0064 0.0020 0.0005 1403 ILE 138 HB -0.0064 0.0017 0.0008 1404 ILE 138 HG13 -0.0070 0.0018 0.0002 1405 ILE 138 HG12 -0.0073 0.0014 0.0003 1406 ILE 138 HG21 -0.0067 0.0010 0.0011 1407 ILE 138 HG22 -0.0065 0.0013 0.0010 1408 ILE 138 HG23 -0.0070 0.0011 0.0008 1409 ILE 138 HD11 -0.0072 0.0013 0.0005 1410 ILE 138 HD12 -0.0067 0.0014 0.0008 1411 ILE 138 HD13 -0.0070 0.0010 0.0008 1412 LEU 139 N -0.0062 0.0025 0.0003 1413 LEU 139 CA -0.0061 0.0028 0.0001 1414 LEU 139 C -0.0060 0.0027 0.0002 1415 LEU 139 O -0.0058 0.0026 0.0005 1416 LEU 139 CB -0.0057 0.0031 0.0002 1417 LEU 139 CG -0.0056 0.0035 -0.0000 1418 LEU 139 CD1 -0.0058 0.0037 -0.0004 1419 LEU 139 CD2 -0.0052 0.0037 0.0001 1420 LEU 139 H -0.0060 0.0023 0.0006 1421 LEU 139 HA -0.0063 0.0030 -0.0001 1422 LEU 139 HB3 -0.0055 0.0030 0.0005 1423 LEU 139 HB2 -0.0057 0.0031 0.0002 1424 LEU 139 HG -0.0056 0.0035 -0.0001 1425 LEU 139 HD11 -0.0057 0.0040 -0.0005 1426 LEU 139 HD12 -0.0060 0.0037 -0.0006 1427 LEU 139 HD13 -0.0060 0.0035 -0.0004 1428 LEU 139 HD21 -0.0051 0.0040 -0.0001 1429 LEU 139 HD22 -0.0051 0.0037 0.0001 1430 LEU 139 HD23 -0.0050 0.0036 0.0004 1431 VAL 140 N -0.0040 0.0041 -0.0006 1432 VAL 140 CA -0.0039 0.0037 0.0000 1433 VAL 140 C -0.0032 0.0041 -0.0003 1434 VAL 140 O -0.0034 0.0046 -0.0011 1435 VAL 140 CB -0.0050 0.0034 0.0002 1436 VAL 140 CG1 -0.0049 0.0030 0.0008 1437 VAL 140 CG2 -0.0057 0.0029 0.0007 1438 VAL 140 H -0.0045 0.0045 -0.0012 1439 VAL 140 HA -0.0035 0.0033 0.0007 1440 VAL 140 HB -0.0054 0.0038 -0.0004 1441 VAL 140 HG11 -0.0057 0.0027 0.0009 1442 VAL 140 HG12 -0.0045 0.0032 0.0005 1443 VAL 140 HG13 -0.0045 0.0026 0.0015 1444 VAL 140 HG21 -0.0065 0.0027 0.0008 1445 VAL 140 HG22 -0.0053 0.0025 0.0013 1446 VAL 140 HG23 -0.0058 0.0032 0.0003 1447 SER 141 N -0.0023 0.0038 0.0002 1448 SER 141 CA -0.0017 0.0041 -0.0000 1449 SER 141 C -0.0023 0.0038 0.0002 1450 SER 141 O -0.0024 0.0032 0.0010 1451 SER 141 CB -0.0006 0.0039 0.0005 1452 SER 141 OG 0.0001 0.0043 0.0001 1453 SER 141 H -0.0022 0.0033 0.0008 1454 SER 141 HA -0.0016 0.0046 -0.0007 1455 SER 141 HB3 -0.0001 0.0040 0.0004 1456 SER 141 HB2 -0.0006 0.0033 0.0012 1457 SER 141 HG -0.0003 0.0042 0.0001 1458 VAL 142 N -0.0011 0.0036 -0.0007 1459 VAL 142 CA -0.0011 0.0036 -0.0004 1460 VAL 142 C -0.0005 0.0034 -0.0002 1461 VAL 142 O -0.0004 0.0034 0.0001 1462 VAL 142 CB -0.0013 0.0037 -0.0007 1463 VAL 142 CG1 -0.0019 0.0039 -0.0007 1464 VAL 142 CG2 -0.0011 0.0035 -0.0013 1465 VAL 142 H -0.0011 0.0035 -0.0011 1466 VAL 142 HA -0.0012 0.0037 0.0000 1467 VAL 142 HB -0.0013 0.0037 -0.0004 1468 VAL 142 HG11 -0.0021 0.0039 -0.0009 1469 VAL 142 HG12 -0.0021 0.0040 -0.0003 1470 VAL 142 HG13 -0.0021 0.0039 -0.0009 1471 VAL 142 HG21 -0.0013 0.0036 -0.0014 1472 VAL 142 HG22 -0.0012 0.0035 -0.0015 1473 VAL 142 HG23 -0.0007 0.0033 -0.0013 1474 GLY 143 N -0.0001 0.0032 -0.0004 1475 GLY 143 CA 0.0004 0.0030 -0.0003 1476 GLY 143 C 0.0007 0.0028 -0.0008 1477 GLY 143 O 0.0005 0.0029 -0.0012 1478 GLY 143 H -0.0002 0.0032 -0.0007 1479 GLY 143 HA3 0.0005 0.0030 -0.0003 1480 GLY 143 HA2 0.0006 0.0030 0.0001 1481 CYS 144 N 0.0015 0.0031 -0.0006 1482 CYS 144 CA 0.0012 0.0031 -0.0004 1483 CYS 144 C 0.0014 0.0031 -0.0005 1484 CYS 144 O 0.0016 0.0032 -0.0008 1485 CYS 144 CB 0.0010 0.0036 -0.0003 1486 CYS 144 SG 0.0008 0.0036 -0.0001 1487 CYS 144 H 0.0016 0.0033 -0.0008 1488 CYS 144 HA 0.0011 0.0029 -0.0002 1489 CYS 144 HB3 0.0008 0.0036 -0.0001 1490 CYS 144 HB2 0.0011 0.0038 -0.0005 1491 THR 145 N 0.0012 0.0029 -0.0003 1492 THR 145 CA 0.0013 0.0029 -0.0004 1493 THR 145 C 0.0010 0.0030 -0.0001 1494 THR 145 O 0.0007 0.0030 0.0001 1495 THR 145 CB 0.0014 0.0024 -0.0004 1496 THR 145 OG1 0.0016 0.0024 -0.0005 1497 THR 145 CG2 0.0012 0.0021 -0.0001 1498 THR 145 H 0.0010 0.0029 -0.0001 1499 THR 145 HA 0.0015 0.0031 -0.0006 1500 THR 145 HB 0.0016 0.0023 -0.0005 1501 THR 145 HG1 0.0018 0.0023 -0.0007 1502 THR 145 HG21 0.0013 0.0018 -0.0001 1503 THR 145 HG22 0.0011 0.0021 0.0000 1504 THR 145 HG23 0.0010 0.0022 0.0001 1505 CYS 146 N 0.0004 0.0028 -0.0002 1506 CYS 146 CA 0.0000 0.0027 -0.0001 1507 CYS 146 C -0.0001 0.0022 0.0001 1508 CYS 146 O 0.0002 0.0020 0.0001 1509 CYS 146 CB 0.0001 0.0029 -0.0002 1510 CYS 146 SG -0.0004 0.0028 -0.0001 1511 CYS 146 H 0.0007 0.0027 -0.0002 1512 CYS 146 HA -0.0003 0.0029 -0.0002 1513 CYS 146 HB3 0.0004 0.0027 -0.0002 1514 CYS 146 HB2 0.0002 0.0032 -0.0004 1515 VAL 147 N -0.0005 0.0021 0.0002 1516 VAL 147 CA -0.0006 0.0016 0.0003 1517 VAL 147 C -0.0011 0.0016 0.0004 1518 VAL 147 O -0.0013 0.0019 0.0003 1519 VAL 147 CB -0.0007 0.0015 0.0004 1520 VAL 147 CG1 -0.0003 0.0015 0.0004 1521 VAL 147 CG2 -0.0011 0.0018 0.0003 1522 VAL 147 H -0.0007 0.0023 0.0001 1523 VAL 147 HA -0.0003 0.0014 0.0004 1524 VAL 147 HB -0.0008 0.0012 0.0006 1525 VAL 147 HG11 -0.0003 0.0014 0.0004 1526 VAL 147 HG12 0.0000 0.0013 0.0004 1527 VAL 147 HG13 -0.0001 0.0018 0.0002 1528 VAL 147 HG21 -0.0011 0.0017 0.0004 1529 VAL 147 HG22 -0.0010 0.0021 0.0002 1530 VAL 147 HG23 -0.0014 0.0017 0.0004 1531 THR 148 N -0.0018 0.0032 0.0006 1532 THR 148 CA -0.0026 0.0033 0.0013 1533 THR 148 C -0.0032 0.0029 0.0019 1534 THR 148 O -0.0030 0.0021 0.0020 1535 THR 148 CB -0.0024 0.0026 0.0013 1536 THR 148 OG1 -0.0021 0.0015 0.0014 1537 THR 148 CG2 -0.0018 0.0029 0.0007 1538 THR 148 H -0.0014 0.0025 0.0005 1539 THR 148 HA -0.0028 0.0041 0.0012 1540 THR 148 HB -0.0030 0.0026 0.0018 1541 THR 148 HG1 -0.0026 0.0013 0.0019 1542 THR 148 HG21 -0.0017 0.0024 0.0007 1543 THR 148 HG22 -0.0020 0.0037 0.0006 1544 THR 148 HG23 -0.0012 0.0029 0.0002 1545 PRO 149 N -0.0040 0.0035 0.0024 1546 PRO 149 CA -0.0046 0.0031 0.0031 1547 PRO 149 C -0.0048 0.0021 0.0036 1548 PRO 149 O -0.0046 0.0018 0.0035 1549 PRO 149 CB -0.0054 0.0040 0.0035 1550 PRO 149 CG -0.0052 0.0045 0.0032 1551 PRO 149 CD -0.0043 0.0044 0.0024 1552 PRO 149 HA -0.0045 0.0030 0.0030 1553 PRO 149 HB3 -0.0054 0.0045 0.0034 1554 PRO 149 HB2 -0.0059 0.0037 0.0041 1555 PRO 149 HG3 -0.0055 0.0053 0.0032 1556 PRO 149 HG2 -0.0054 0.0041 0.0035 1557 PRO 149 HD2 -0.0040 0.0044 0.0022 1558 PRO 149 HD3 -0.0041 0.0050 0.0021 1559 ILE 150 N 0.0011 0.0099 0.0113 1560 ILE 150 CA 0.0012 0.0092 0.0133 1561 ILE 150 C 0.0008 0.0110 0.0158 1562 ILE 150 O 0.0008 0.0109 0.0171 1563 ILE 150 CB 0.0019 0.0062 0.0142 1564 ILE 150 CG1 0.0024 0.0043 0.0118 1565 ILE 150 CG2 0.0020 0.0055 0.0168 1566 ILE 150 CD1 0.0023 0.0045 0.0105 1567 ILE 150 H 0.0012 0.0094 0.0119 1568 ILE 150 HA 0.0011 0.0096 0.0125 1569 ILE 150 HB 0.0020 0.0058 0.0149 1570 ILE 150 HG13 0.0028 0.0022 0.0124 1571 ILE 150 HG12 0.0023 0.0047 0.0102 1572 ILE 150 HG21 0.0025 0.0033 0.0172 1573 ILE 150 HG22 0.0018 0.0064 0.0187 1574 ILE 150 HG23 0.0019 0.0061 0.0165 1575 ILE 150 HD11 0.0028 0.0026 0.0096 1576 ILE 150 HD12 0.0022 0.0050 0.0121 1577 ILE 150 HD13 0.0020 0.0061 0.0089 1578 VAL 151 N 0.0004 0.0127 0.0165 1579 VAL 151 CA -0.0001 0.0147 0.0187 1580 VAL 151 C 0.0000 0.0139 0.0211 1581 VAL 151 O 0.0002 0.0130 0.0206 1582 VAL 151 CB -0.0008 0.0176 0.0176 1583 VAL 151 CG1 -0.0013 0.0198 0.0199 1584 VAL 151 CG2 -0.0009 0.0185 0.0151 1585 VAL 151 H 0.0004 0.0127 0.0154 1586 VAL 151 HA -0.0002 0.0149 0.0195 1587 VAL 151 HB -0.0007 0.0175 0.0169 1588 VAL 151 HG11 -0.0017 0.0218 0.0190 1589 VAL 151 HG12 -0.0012 0.0194 0.0216 1590 VAL 151 HG13 -0.0014 0.0200 0.0207 1591 VAL 151 HG21 -0.0014 0.0205 0.0144 1592 VAL 151 HG22 -0.0010 0.0185 0.0156 1593 VAL 151 HG23 -0.0006 0.0171 0.0133 1594 HIS 152 N -0.0185 0.0099 0.0298 1595 HIS 152 CA -0.0172 0.0117 0.0256 1596 HIS 152 C -0.0146 0.0087 0.0228 1597 HIS 152 O -0.0141 0.0061 0.0241 1598 HIS 152 CB -0.0185 0.0163 0.0244 1599 HIS 152 CG -0.0192 0.0170 0.0252 1600 HIS 152 ND1 -0.0211 0.0170 0.0290 1601 HIS 152 CD2 -0.0182 0.0178 0.0225 1602 HIS 152 CE1 -0.0212 0.0178 0.0286 1603 HIS 152 NE2 -0.0195 0.0183 0.0248 1604 HIS 152 H -0.0176 0.0077 0.0298 1605 HIS 152 HA -0.0172 0.0118 0.0255 1606 HIS 152 HB3 -0.0202 0.0184 0.0261 1607 HIS 152 HB2 -0.0174 0.0174 0.0212 1608 HIS 152 HD1 -0.0222 0.0165 0.0317 1609 HIS 152 HD2 -0.0167 0.0181 0.0192 1610 HIS 152 HE1 -0.0226 0.0180 0.0312 1611 HIS 153 N -0.0129 0.0091 0.0192 1612 HIS 153 CA -0.0105 0.0071 0.0159 1613 HIS 153 C -0.0105 0.0098 0.0137 1614 HIS 153 O -0.0122 0.0136 0.0138 1615 HIS 153 CB -0.0088 0.0065 0.0130 1616 HIS 153 CG -0.0061 0.0034 0.0101 1617 HIS 153 ND1 -0.0047 0.0045 0.0064 1618 HIS 153 CD2 -0.0045 -0.0007 0.0103 1619 HIS 153 CE1 -0.0024 0.0010 0.0047 1620 HIS 153 NE2 -0.0022 -0.0023 0.0069 1621 HIS 153 H -0.0135 0.0116 0.0182 1622 HIS 153 HA -0.0098 0.0039 0.0172 1623 HIS 153 HB3 -0.0092 0.0096 0.0111 1624 HIS 153 HB2 -0.0093 0.0054 0.0148 1625 HIS 153 HD1 -0.0053 0.0073 0.0051 1626 HIS 153 HD2 -0.0049 -0.0027 0.0127 1627 HIS 153 HE1 -0.0009 0.0009 0.0018 1628 VAL 154 N -0.0089 0.0076 0.0137 1629 VAL 154 CA -0.0087 0.0142 0.0063 1630 VAL 154 C -0.0054 0.0243 -0.0095 1631 VAL 154 O 0.0009 0.0217 -0.0161 1632 VAL 154 CB 0.0001 0.0023 0.0061 1633 VAL 154 CG1 0.0134 -0.0051 -0.0057 1634 VAL 154 CG2 -0.0031 0.0078 0.0049 1635 VAL 154 H -0.0015 -0.0024 0.0136 1636 VAL 154 HA -0.0176 0.0206 0.0126 1637 VAL 154 HB -0.0010 -0.0062 0.0168 1638 VAL 154 HG11 0.0190 -0.0143 -0.0040 1639 VAL 154 HG12 0.0160 -0.0090 -0.0052 1640 VAL 154 HG13 0.0156 0.0022 -0.0169 1641 VAL 154 HG21 0.0028 -0.0008 0.0055 1642 VAL 154 HG22 -0.0023 0.0164 -0.0056 1643 VAL 154 HG23 -0.0121 0.0119 0.0138 1644 ALA 155 N -0.0099 0.0356 -0.0150 1645 ALA 155 CA -0.0075 0.0462 -0.0301 1646 ALA 155 C 0.0002 0.0451 -0.0401 1647 ALA 155 O 0.0059 0.0497 -0.0537 1648 ALA 155 CB -0.0195 0.0614 -0.0285 1649 ALA 155 OXT -0.0008 0.0402 -0.0335 1650 ALA 155 H -0.0136 0.0359 -0.0099 1651 ALA 155 HA -0.0025 0.0446 -0.0358 1652 ALA 155 HB1 -0.0183 0.0697 -0.0393 1653 ALA 155 HB2 -0.0245 0.0623 -0.0221 1654 ALA 155 HB3 -0.0250 0.0639 -0.0232 1655 ASP 103 N 0.0491 0.0027 0.0062 1656 ASP 103 CA 0.0541 0.0047 0.0135 1657 ASP 103 C 0.0476 0.0098 0.0212 1658 ASP 103 O 0.0508 0.0120 0.0278 1659 ASP 103 CB 0.0582 0.0019 0.0097 1660 ASP 103 CG 0.0657 -0.0032 0.0027 1661 ASP 103 OD1 0.0695 -0.0049 0.0012 1662 ASP 103 OD2 0.0680 -0.0054 -0.0009 1663 ASP 103 H 0.0467 0.0006 0.0003 1664 ASP 103 HA 0.0604 0.0045 0.0167 1665 ASP 103 HB2 0.0521 0.0021 0.0066 1666 ASP 103 HB3 0.0617 0.0036 0.0154 1667 ASN 57 N 0.0287 0.0161 -0.0039 1668 ASN 57 CA 0.0330 0.0188 -0.0045 1669 ASN 57 C 0.0363 0.0140 -0.0053 1670 ASN 57 O 0.0412 0.0144 -0.0061 1671 ASN 57 CB 0.0365 0.0230 -0.0049 1672 ASN 57 CG 0.0335 0.0278 -0.0042 1673 ASN 57 OD1 0.0355 0.0300 -0.0044 1674 ASN 57 ND2 0.0287 0.0296 -0.0034 1675 ASN 57 H 0.0300 0.0136 -0.0043 1676 ASN 57 HA 0.0311 0.0209 -0.0041 1677 ASN 57 HXT 0.0340 0.0101 -0.0051 1678 ASN 57 HB2 0.0389 0.0208 -0.0054 1679 ASN 57 HB3 0.0395 0.0250 -0.0053 1680 ASN 57 HD22 0.0269 0.0328 -0.0029 1681 ASN 57 HD21 0.0267 0.0275 -0.0031 1682 SER 64 N 0.0086 -0.0023 -0.0150 1683 SER 64 CA 0.0074 -0.0011 -0.0147 1684 SER 64 C 0.0066 -0.0001 -0.0140 1685 SER 64 O 0.0069 -0.0003 -0.0127 1686 SER 64 CB 0.0076 -0.0011 -0.0135 1687 SER 64 OG 0.0081 -0.0015 -0.0119 1688 SER 64 H1 0.0090 -0.0029 -0.0158 1689 SER 64 H2 0.0085 -0.0023 -0.0157 1690 SER 64 HA 0.0070 -0.0007 -0.0159 1691 SER 64 HB2 0.0067 -0.0002 -0.0132 1692 SER 64 HB3 0.0081 -0.0017 -0.0140 1693 SER 64 HG 0.0087 -0.0022 -0.0121 1694 ASP 65 N 0.0056 0.0010 -0.0147 1695 ASP 65 CA 0.0046 0.0021 -0.0142 1696 ASP 65 C 0.0042 0.0026 -0.0124 1697 ASP 65 O 0.0033 0.0036 -0.0119 1698 ASP 65 CB 0.0035 0.0032 -0.0154 1699 ASP 65 CG 0.0036 0.0028 -0.0173 1700 ASP 65 OD1 0.0046 0.0018 -0.0178 1701 ASP 65 OD2 0.0028 0.0037 -0.0183 1702 ASP 65 H 0.0055 0.0010 -0.0159 1703 ASP 65 HA 0.0049 0.0018 -0.0142 1704 ASP 65 HB2 0.0031 0.0036 -0.0153 1705 ASP 65 HB3 0.0029 0.0039 -0.0151 1706 TYR 85 N -0.0091 -0.0009 -0.0027 1707 TYR 85 CA -0.0091 -0.0011 -0.0020 1708 TYR 85 C -0.0096 -0.0016 -0.0009 1709 TYR 85 O -0.0093 -0.0015 -0.0002 1710 TYR 85 CB -0.0080 -0.0003 -0.0017 1711 TYR 85 CG -0.0079 -0.0004 -0.0009 1712 TYR 85 CD1 -0.0079 -0.0003 -0.0015 1713 TYR 85 CD2 -0.0078 -0.0006 0.0003 1714 TYR 85 CE1 -0.0078 -0.0003 -0.0008 1715 TYR 85 CE2 -0.0078 -0.0007 0.0010 1716 TYR 85 CZ -0.0077 -0.0005 0.0004 1717 TYR 85 OH -0.0076 -0.0005 0.0011 1718 TYR 85 H -0.0089 -0.0009 -0.0023 1719 TYR 85 HA -0.0094 -0.0012 -0.0025 1720 TYR 85 HB2 -0.0076 0.0000 -0.0025 1721 TYR 85 HB3 -0.0076 -0.0001 -0.0012 1722 TYR 85 HD1 -0.0079 -0.0001 -0.0025 1723 TYR 85 HD2 -0.0079 -0.0007 0.0008 1724 TYR 85 HE1 -0.0077 -0.0002 -0.0013 1725 TYR 85 HE2 -0.0078 -0.0008 0.0020 1726 TYR 85 HH -0.0073 -0.0005 0.0019 1727 PHE 41 N -0.0043 -0.0078 -0.0193 1728 PHE 41 CA -0.0059 -0.0077 -0.0156 1729 PHE 41 C -0.0040 -0.0056 -0.0130 1730 PHE 41 O -0.0046 -0.0057 -0.0120 1731 PHE 41 CB -0.0092 -0.0099 -0.0154 1732 PHE 41 CG -0.0113 -0.0120 -0.0175 1733 PHE 41 CD1 -0.0124 -0.0124 -0.0164 1734 PHE 41 CD2 -0.0118 -0.0134 -0.0208 1735 PHE 41 CE1 -0.0141 -0.0142 -0.0186 1736 PHE 41 CE2 -0.0135 -0.0153 -0.0229 1737 PHE 41 CZ -0.0147 -0.0157 -0.0218 1738 PHE 41 H -0.0040 -0.0080 -0.0204 1739 PHE 41 HA -0.0064 -0.0077 -0.0146 1740 PHE 41 HB3 -0.0104 -0.0097 -0.0126 1741 PHE 41 HB2 -0.0090 -0.0100 -0.0162 1742 PHE 41 HD1 -0.0120 -0.0112 -0.0140 1743 PHE 41 HD2 -0.0109 -0.0131 -0.0217 1744 PHE 41 HE1 -0.0150 -0.0145 -0.0177 1745 PHE 41 HE2 -0.0140 -0.0164 -0.0254 1746 PHE 41 HZ -0.0160 -0.0171 -0.0234 1747 PRO 42 N -0.0016 -0.0037 -0.0121 1748 PRO 42 CA 0.0003 -0.0016 -0.0095 1749 PRO 42 C -0.0017 -0.0016 -0.0057 1750 PRO 42 O -0.0036 -0.0025 -0.0046 1751 PRO 42 CB 0.0029 0.0002 -0.0097 1752 PRO 42 CG 0.0016 -0.0011 -0.0108 1753 PRO 42 CD -0.0006 -0.0034 -0.0133 1754 PRO 42 HA 0.0012 -0.0012 -0.0104 1755 PRO 42 HB3 0.0049 0.0008 -0.0118 1756 PRO 42 HB2 0.0038 0.0016 -0.0072 1757 PRO 42 HG3 0.0033 -0.0004 -0.0119 1758 PRO 42 HG2 0.0001 -0.0013 -0.0084 1759 PRO 42 HD2 -0.0025 -0.0046 -0.0132 1760 PRO 42 HD3 0.0007 -0.0034 -0.0160 1761 ARG 43 N -0.0014 -0.0006 -0.0017 1762 ARG 43 CA -0.0018 -0.0004 -0.0009 1763 ARG 43 C -0.0016 0.0000 -0.0006 1764 ARG 43 O -0.0020 -0.0001 -0.0000 1765 ARG 43 CB -0.0018 -0.0001 -0.0004 1766 ARG 43 CG -0.0021 0.0002 0.0005 1767 ARG 43 CD -0.0021 0.0005 0.0009 1768 ARG 43 NE -0.0023 0.0009 0.0017 1769 ARG 43 CZ -0.0020 0.0016 0.0021 1770 ARG 43 NH1 -0.0014 0.0019 0.0017 1771 ARG 43 NH2 -0.0023 0.0018 0.0029 1772 ARG 43 H -0.0011 -0.0004 -0.0019 1773 ARG 43 HA -0.0023 -0.0009 -0.0008 1774 ARG 43 HB3 -0.0013 0.0004 -0.0006 1775 ARG 43 HB2 -0.0020 -0.0005 -0.0006 1776 ARG 43 HG3 -0.0026 -0.0003 0.0006 1777 ARG 43 HG2 -0.0020 0.0006 0.0007 1778 ARG 43 HD3 -0.0016 0.0008 0.0006 1779 ARG 43 HD2 -0.0025 0.0001 0.0008 1780 ARG 43 HH22 -0.0020 0.0023 0.0032 1781 ARG 43 HH21 -0.0027 0.0016 0.0032 1782 ARG 43 HH12 -0.0011 0.0024 0.0020 1783 ARG 43 HH11 -0.0012 0.0017 0.0011 1784 ARG 43 HE -0.0028 0.0007 0.0020 1785 THR 44 N -0.0010 0.0006 -0.0008 1786 THR 44 CA -0.0007 0.0011 -0.0005 1787 THR 44 C -0.0002 0.0012 -0.0012 1788 THR 44 O 0.0002 0.0013 -0.0017 1789 THR 44 CB -0.0004 0.0018 0.0000 1790 THR 44 OG1 -0.0009 0.0017 0.0006 1791 THR 44 CG2 -0.0002 0.0024 0.0004 1792 THR 44 H -0.0007 0.0006 -0.0013 1793 THR 44 HA -0.0011 0.0010 -0.0001 1794 THR 44 HB -0.0000 0.0020 -0.0004 1795 THR 44 HG1 -0.0012 0.0016 0.0009 1796 THR 44 HG21 0.0001 0.0029 0.0007 1797 THR 44 HG22 0.0002 0.0025 0.0000 1798 THR 44 HG23 -0.0005 0.0023 0.0008 1799 VAL 45 N -0.0002 0.0004 -0.0014 1800 VAL 45 CA 0.0000 0.0004 -0.0018 1801 VAL 45 C 0.0004 0.0007 -0.0006 1802 VAL 45 O 0.0002 0.0008 0.0004 1803 VAL 45 CB -0.0011 -0.0001 -0.0023 1804 VAL 45 CG1 -0.0015 -0.0004 -0.0035 1805 VAL 45 CG2 -0.0022 -0.0003 -0.0014 1806 VAL 45 H -0.0007 0.0003 -0.0006 1807 VAL 45 HA 0.0008 0.0006 -0.0025 1808 VAL 45 HB -0.0009 -0.0000 -0.0027 1809 VAL 45 HG11 -0.0022 -0.0007 -0.0040 1810 VAL 45 HG12 -0.0007 -0.0002 -0.0042 1811 VAL 45 HG13 -0.0018 -0.0005 -0.0032 1812 VAL 45 HG21 -0.0030 -0.0007 -0.0018 1813 VAL 45 HG22 -0.0025 -0.0004 -0.0009 1814 VAL 45 HG23 -0.0020 -0.0002 -0.0006 1815 MET 46 N 0.0010 0.0009 -0.0009 1816 MET 46 CA 0.0013 0.0012 0.0001 1817 MET 46 C 0.0003 0.0008 0.0003 1818 MET 46 O -0.0002 0.0005 -0.0007 1819 MET 46 CB 0.0025 0.0016 -0.0003 1820 MET 46 CG 0.0036 0.0020 -0.0003 1821 MET 46 SD 0.0050 0.0025 -0.0008 1822 MET 46 CE 0.0049 0.0021 -0.0025 1823 MET 46 H 0.0011 0.0008 -0.0018 1824 MET 46 HA 0.0014 0.0014 0.0010 1825 MET 46 HB3 0.0026 0.0017 0.0003 1826 MET 46 HB2 0.0024 0.0014 -0.0012 1827 MET 46 HG3 0.0035 0.0019 -0.0009 1828 MET 46 HG2 0.0037 0.0022 0.0007 1829 MET 46 HE1 0.0057 0.0024 -0.0029 1830 MET 46 HE2 0.0047 0.0020 -0.0029 1831 MET 46 HE3 0.0041 0.0018 -0.0027 1832 VAL 47 N -0.0004 0.0003 0.0008 1833 VAL 47 CA -0.0011 0.0003 0.0012 1834 VAL 47 C -0.0006 0.0005 0.0021 1835 VAL 47 O -0.0003 0.0006 0.0027 1836 VAL 47 CB -0.0020 0.0002 0.0016 1837 VAL 47 CG1 -0.0027 0.0002 0.0021 1838 VAL 47 CG2 -0.0025 0.0000 0.0008 1839 VAL 47 H -0.0002 0.0004 0.0013 1840 VAL 47 HA -0.0013 0.0002 0.0007 1841 VAL 47 HB -0.0019 0.0003 0.0021 1842 VAL 47 HG11 -0.0034 0.0002 0.0023 1843 VAL 47 HG12 -0.0024 0.0004 0.0027 1844 VAL 47 HG13 -0.0029 0.0001 0.0016 1845 VAL 47 HG21 -0.0032 0.0000 0.0010 1846 VAL 47 HG22 -0.0026 -0.0001 0.0002 1847 VAL 47 HG23 -0.0021 0.0000 0.0005 1848 ASN 48 N -0.0006 0.0005 0.0021 1849 ASN 48 CA -0.0004 0.0006 0.0028 1850 ASN 48 C -0.0012 0.0006 0.0035 1851 ASN 48 O -0.0020 0.0005 0.0032 1852 ASN 48 CB -0.0000 0.0006 0.0024 1853 ASN 48 CG 0.0004 0.0007 0.0031 1854 ASN 48 OD1 0.0004 0.0009 0.0040 1855 ASN 48 ND2 0.0009 0.0007 0.0027 1856 ASN 48 H -0.0009 0.0003 0.0015 1857 ASN 48 HA 0.0002 0.0007 0.0032 1858 ASN 48 HB3 -0.0006 0.0005 0.0021 1859 ASN 48 HB2 0.0004 0.0005 0.0018 1860 ASN 48 HD22 0.0012 0.0008 0.0031 1861 ASN 48 HD21 0.0009 0.0006 0.0020 1862 LEU 49 N -0.0012 0.0000 0.0037 1863 LEU 49 CA -0.0020 0.0003 0.0043 1864 LEU 49 C -0.0022 0.0004 0.0051 1865 LEU 49 O -0.0029 0.0006 0.0056 1866 LEU 49 CB -0.0018 0.0003 0.0048 1867 LEU 49 CG -0.0018 0.0002 0.0042 1868 LEU 49 CD1 -0.0017 0.0003 0.0048 1869 LEU 49 CD2 -0.0028 0.0003 0.0035 1870 LEU 49 H -0.0006 -0.0000 0.0038 1871 LEU 49 HA -0.0027 0.0003 0.0039 1872 LEU 49 HB3 -0.0024 0.0005 0.0054 1873 LEU 49 HB2 -0.0012 0.0003 0.0052 1874 LEU 49 HG -0.0012 0.0000 0.0037 1875 LEU 49 HD11 -0.0018 0.0002 0.0043 1876 LEU 49 HD12 -0.0010 0.0002 0.0051 1877 LEU 49 HD13 -0.0023 0.0005 0.0053 1878 LEU 49 HD21 -0.0028 0.0002 0.0032 1879 LEU 49 HD22 -0.0034 0.0004 0.0040 1880 LEU 49 HD23 -0.0028 0.0002 0.0030 1881 ASN 50 N -0.0016 0.0003 0.0052 1882 ASN 50 CA -0.0017 0.0005 0.0059 1883 ASN 50 C -0.0025 0.0005 0.0054 1884 ASN 50 O -0.0023 0.0004 0.0050 1885 ASN 50 CB -0.0008 0.0003 0.0060 1886 ASN 50 CG -0.0001 0.0003 0.0067 1887 ASN 50 OD1 -0.0003 0.0005 0.0073 1888 ASN 50 ND2 0.0008 0.0002 0.0068 1889 ASN 50 H -0.0011 0.0002 0.0047 1890 ASN 50 HA -0.0020 0.0006 0.0065 1891 ASN 50 HB3 -0.0009 0.0004 0.0064 1892 ASN 50 HB2 -0.0004 0.0002 0.0054 1893 ASN 50 HD22 0.0012 0.0002 0.0073 1894 ASN 50 HD21 0.0010 0.0001 0.0064 1895 ILE 51 N -0.0038 0.0004 0.0045 1896 ILE 51 CA -0.0046 0.0005 0.0042 1897 ILE 51 C -0.0047 0.0006 0.0044 1898 ILE 51 O -0.0045 0.0006 0.0051 1899 ILE 51 CB -0.0054 0.0007 0.0046 1900 ILE 51 CG1 -0.0054 0.0007 0.0045 1901 ILE 51 CG2 -0.0063 0.0009 0.0042 1902 ILE 51 CD1 -0.0060 0.0009 0.0051 1903 ILE 51 H -0.0038 0.0004 0.0048 1904 ILE 51 HA -0.0046 0.0005 0.0035 1905 ILE 51 HB -0.0054 0.0008 0.0053 1906 ILE 51 HG13 -0.0047 0.0006 0.0046 1907 ILE 51 HG12 -0.0055 0.0007 0.0038 1908 ILE 51 HG21 -0.0068 0.0010 0.0044 1909 ILE 51 HG22 -0.0064 0.0009 0.0044 1910 ILE 51 HG23 -0.0063 0.0008 0.0035 1911 ILE 51 HD11 -0.0060 0.0009 0.0050 1912 ILE 51 HD12 -0.0058 0.0009 0.0058 1913 ILE 51 HD13 -0.0066 0.0010 0.0051 1914 HIS 52 N -0.0051 0.0006 0.0037 1915 HIS 52 CA -0.0054 0.0007 0.0039 1916 HIS 52 C -0.0064 0.0009 0.0038 1917 HIS 52 O -0.0068 0.0009 0.0033 1918 HIS 52 CB -0.0051 0.0005 0.0032 1919 HIS 52 CG -0.0042 0.0004 0.0033 1920 HIS 52 ND1 -0.0036 0.0003 0.0040 1921 HIS 52 CD2 -0.0037 0.0002 0.0029 1922 HIS 52 CE1 -0.0029 0.0002 0.0040 1923 HIS 52 NE2 -0.0029 0.0001 0.0034 1924 HIS 52 H -0.0053 0.0006 0.0032 1925 HIS 52 HA -0.0052 0.0007 0.0045 1926 HIS 52 HB3 -0.0055 0.0006 0.0031 1927 HIS 52 HB2 -0.0051 0.0005 0.0025 1928 HIS 52 HD1 -0.0038 0.0004 0.0044 1929 HIS 52 HD2 -0.0039 0.0002 0.0024 1930 HIS 52 HE1 -0.0024 0.0001 0.0045 1931 ASN 53 N -0.0065 0.0003 0.0038 1932 ASN 53 CA -0.0073 0.0007 0.0039 1933 ASN 53 C -0.0076 0.0008 0.0035 1934 ASN 53 O -0.0072 0.0006 0.0037 1935 ASN 53 CB -0.0076 0.0009 0.0048 1936 ASN 53 CG -0.0075 0.0009 0.0051 1937 ASN 53 OD1 -0.0078 0.0011 0.0057 1938 ASN 53 ND2 -0.0069 0.0006 0.0048 1939 ASN 53 H -0.0062 0.0002 0.0043 1940 ASN 53 HA -0.0076 0.0008 0.0035 1941 ASN 53 HB3 -0.0082 0.0011 0.0048 1942 ASN 53 HB2 -0.0073 0.0008 0.0052 1943 ASN 53 HD22 -0.0068 0.0006 0.0051 1944 ASN 53 HD21 -0.0066 0.0004 0.0043 1945 ARG 54 N -0.0082 0.0010 0.0030 1946 ARG 54 CA -0.0085 0.0011 0.0026 1947 ARG 54 C -0.0094 0.0014 0.0026 1948 ARG 54 O -0.0098 0.0016 0.0020 1949 ARG 54 CB -0.0082 0.0009 0.0017 1950 ARG 54 CG -0.0085 0.0009 0.0013 1951 ARG 54 CD -0.0082 0.0007 0.0004 1952 ARG 54 NE -0.0074 0.0004 0.0004 1953 ARG 54 CZ -0.0068 0.0002 0.0006 1954 ARG 54 NH1 -0.0070 0.0003 0.0008 1955 ARG 54 NH2 -0.0061 -0.0001 0.0006 1956 ARG 54 H -0.0084 0.0011 0.0028 1957 ARG 54 HA -0.0084 0.0011 0.0030 1958 ARG 54 HXT -0.0096 0.0016 0.0033 1959 ARG 54 HB3 -0.0084 0.0009 0.0013 1960 ARG 54 HB2 -0.0076 0.0006 0.0018 1961 ARG 54 HG3 -0.0083 0.0009 0.0017 1962 ARG 54 HG2 -0.0091 0.0012 0.0013 1963 ARG 54 HD3 -0.0084 0.0008 0.0001 1964 ARG 54 HD2 -0.0084 0.0008 0.0000 1965 ARG 54 HH22 -0.0056 -0.0003 0.0006 1966 ARG 54 HH21 -0.0060 -0.0002 0.0004 1967 ARG 54 HH12 -0.0066 0.0001 0.0010 1968 ARG 54 HH11 -0.0076 0.0005 0.0008 1969 ARG 54 HE -0.0072 0.0003 0.0001 1970 SER 64 N 0.0011 0.0015 0.0030 1971 SER 64 CA 0.0013 0.0014 0.0026 1972 SER 64 C 0.0016 0.0016 0.0022 1973 SER 64 O 0.0017 0.0016 0.0019 1974 SER 64 CB 0.0013 0.0010 0.0025 1975 SER 64 OG 0.0011 0.0009 0.0028 1976 SER 64 H1 0.0010 0.0011 0.0031 1977 SER 64 H2 0.0010 0.0017 0.0032 1978 SER 64 HA 0.0013 0.0017 0.0026 1979 SER 64 HB3 0.0015 0.0010 0.0022 1980 SER 64 HB2 0.0013 0.0007 0.0025 1981 SER 64 HG 0.0011 0.0006 0.0028 1982 TYR 66 N 0.0011 0.0018 0.0014 1983 TYR 66 CA 0.0011 0.0020 0.0013 1984 TYR 66 C 0.0014 0.0019 0.0014 1985 TYR 66 O 0.0013 0.0019 0.0014 1986 TYR 66 CB 0.0012 0.0023 0.0010 1987 TYR 66 CG 0.0009 0.0025 0.0008 1988 TYR 66 CD1 0.0005 0.0023 0.0008 1989 TYR 66 CD2 0.0011 0.0027 0.0006 1990 TYR 66 CE1 0.0003 0.0025 0.0006 1991 TYR 66 CE2 0.0008 0.0029 0.0003 1992 TYR 66 CZ 0.0004 0.0028 0.0004 1993 TYR 66 OH 0.0002 0.0029 0.0002 1994 TYR 66 H 0.0012 0.0019 0.0013 1995 TYR 66 HA 0.0008 0.0019 0.0012 1996 TYR 66 HB3 0.0013 0.0024 0.0009 1997 TYR 66 HB2 0.0015 0.0023 0.0010 1998 TYR 66 HD1 0.0004 0.0021 0.0010 1999 TYR 66 HD2 0.0014 0.0028 0.0005 2000 TYR 66 HE1 -0.0000 0.0024 0.0006 2001 TYR 66 HE2 0.0009 0.0031 0.0002 2002 TYR 66 HH 0.0003 0.0031 0.0000 2003 TYR 67 N 0.0017 0.0018 0.0016 2004 TYR 67 CA 0.0020 0.0017 0.0018 2005 TYR 67 C 0.0018 0.0014 0.0020 2006 TYR 67 O 0.0020 0.0013 0.0021 2007 TYR 67 CB 0.0023 0.0016 0.0019 2008 TYR 67 CG 0.0023 0.0013 0.0021 2009 TYR 67 CD1 0.0020 0.0013 0.0021 2010 TYR 67 CD2 0.0025 0.0011 0.0024 2011 TYR 67 CE1 0.0020 0.0010 0.0024 2012 TYR 67 CE2 0.0025 0.0009 0.0026 2013 TYR 67 CZ 0.0022 0.0008 0.0026 2014 TYR 67 OH 0.0022 0.0005 0.0028 2015 TYR 67 H 0.0017 0.0018 0.0016 2016 TYR 67 HA 0.0021 0.0018 0.0016 2017 TYR 67 HB3 0.0024 0.0018 0.0017 2018 TYR 67 HB2 0.0026 0.0016 0.0020 2019 TYR 67 HD1 0.0019 0.0014 0.0019 2020 TYR 67 HD2 0.0028 0.0012 0.0024 2021 TYR 67 HE1 0.0018 0.0010 0.0023 2022 TYR 67 HE2 0.0027 0.0007 0.0028 2023 TYR 67 HH 0.0024 0.0004 0.0030 2024 ASN 68 N 0.0016 0.0005 0.0017 2025 ASN 68 CA 0.0013 0.0005 0.0020 2026 ASN 68 C 0.0008 0.0009 0.0018 2027 ASN 68 O 0.0006 0.0011 0.0018 2028 ASN 68 CB 0.0012 0.0002 0.0025 2029 ASN 68 CG 0.0016 -0.0002 0.0027 2030 ASN 68 OD1 0.0018 -0.0002 0.0026 2031 ASN 68 ND2 0.0016 -0.0004 0.0031 2032 ASN 68 H 0.0015 0.0005 0.0018 2033 ASN 68 HA 0.0014 0.0005 0.0019 2034 ASN 68 HB3 0.0008 0.0003 0.0027 2035 ASN 68 HB2 0.0011 0.0003 0.0026 2036 ASN 68 HD22 0.0019 -0.0007 0.0032 2037 ASN 68 HD21 0.0014 -0.0004 0.0032 2038 ARG 69 N 0.0006 0.0011 0.0018 2039 ARG 69 CA 0.0001 0.0014 0.0018 2040 ARG 69 C 0.0000 0.0018 0.0013 2041 ARG 69 O -0.0004 0.0021 0.0012 2042 ARG 69 CB -0.0001 0.0014 0.0019 2043 ARG 69 CG -0.0002 0.0011 0.0025 2044 ARG 69 CD -0.0002 0.0011 0.0026 2045 ARG 69 NE -0.0005 0.0015 0.0024 2046 ARG 69 CZ -0.0005 0.0015 0.0022 2047 ARG 69 NH1 -0.0008 0.0019 0.0020 2048 ARG 69 NH2 -0.0002 0.0013 0.0023 2049 ARG 69 H 0.0007 0.0009 0.0019 2050 ARG 69 HA -0.0002 0.0014 0.0020 2051 ARG 69 HB3 -0.0005 0.0017 0.0019 2052 ARG 69 HB2 0.0002 0.0014 0.0017 2053 ARG 69 HG3 0.0002 0.0009 0.0026 2054 ARG 69 HG2 -0.0005 0.0012 0.0027 2055 ARG 69 HD3 0.0002 0.0009 0.0024 2056 ARG 69 HD2 -0.0003 0.0009 0.0030 2057 ARG 69 HH22 -0.0002 0.0013 0.0022 2058 ARG 69 HH21 0.0000 0.0010 0.0025 2059 ARG 69 HH12 -0.0008 0.0020 0.0019 2060 ARG 69 HH11 -0.0011 0.0021 0.0019 2061 ARG 69 HE -0.0008 0.0017 0.0023 2062 SER 70 N 0.0005 0.0008 0.0004 2063 SER 70 CA 0.0007 0.0010 0.0005 2064 SER 70 C 0.0008 0.0004 0.0009 2065 SER 70 O 0.0010 0.0000 0.0013 2066 SER 70 CB 0.0011 0.0016 0.0007 2067 SER 70 OG 0.0014 0.0018 0.0009 2068 SER 70 H 0.0007 0.0009 0.0006 2069 SER 70 HA 0.0004 0.0011 0.0001 2070 SER 70 HB3 0.0014 0.0016 0.0010 2071 SER 70 HB2 0.0010 0.0020 0.0004 2072 SER 70 HG 0.0013 0.0022 0.0006 2073 THR 71 N 0.0007 0.0004 0.0009 2074 THR 71 CA 0.0009 -0.0000 0.0013 2075 THR 71 C 0.0015 0.0002 0.0018 2076 THR 71 O 0.0017 -0.0001 0.0022 2077 THR 71 CB 0.0007 0.0000 0.0010 2078 THR 71 OG1 0.0008 0.0007 0.0007 2079 THR 71 CG2 0.0002 -0.0004 0.0006 2080 THR 71 H 0.0006 0.0007 0.0005 2081 THR 71 HA 0.0008 -0.0005 0.0014 2082 THR 71 HB 0.0009 -0.0002 0.0013 2083 THR 71 HG1 0.0006 0.0008 0.0004 2084 THR 71 HG21 0.0000 -0.0004 0.0004 2085 THR 71 HG22 0.0001 -0.0009 0.0007 2086 THR 71 HG23 -0.0001 -0.0002 0.0002 2087 SER 72 N 0.0018 0.0005 0.0018 2088 SER 72 CA 0.0025 0.0009 0.0024 2089 SER 72 C 0.0027 0.0014 0.0025 2090 SER 72 O 0.0030 0.0021 0.0023 2091 SER 72 CB 0.0027 0.0016 0.0022 2092 SER 72 OG 0.0024 0.0021 0.0014 2093 SER 72 H 0.0017 0.0009 0.0013 2094 SER 72 HA 0.0026 0.0005 0.0030 2095 SER 72 HB3 0.0025 0.0012 0.0022 2096 SER 72 HB2 0.0031 0.0020 0.0026 2097 SER 72 HG 0.0025 0.0022 0.0013 2098 PRO 73 N 0.0027 0.0009 0.0028 2099 PRO 73 CA 0.0028 0.0012 0.0027 2100 PRO 73 C 0.0035 0.0018 0.0033 2101 PRO 73 O 0.0038 0.0016 0.0040 2102 PRO 73 CB 0.0025 0.0004 0.0029 2103 PRO 73 CG 0.0025 -0.0002 0.0035 2104 PRO 73 CD 0.0024 -0.0000 0.0031 2105 PRO 73 HA 0.0026 0.0016 0.0022 2106 PRO 73 HB3 0.0021 0.0002 0.0024 2107 PRO 73 HB2 0.0027 0.0005 0.0032 2108 PRO 73 HG3 0.0022 -0.0009 0.0035 2109 PRO 73 HG2 0.0029 -0.0001 0.0041 2110 PRO 73 HD2 0.0026 -0.0002 0.0036 2111 PRO 73 HD3 0.0020 -0.0004 0.0027 2112 TRP 74 N 0.0032 0.0014 0.0028 2113 TRP 74 CA 0.0036 0.0019 0.0032 2114 TRP 74 C 0.0038 0.0021 0.0033 2115 TRP 74 O 0.0036 0.0019 0.0030 2116 TRP 74 CB 0.0038 0.0024 0.0029 2117 TRP 74 CG 0.0038 0.0028 0.0022 2118 TRP 74 CD1 0.0040 0.0033 0.0021 2119 TRP 74 CD2 0.0035 0.0027 0.0015 2120 TRP 74 NE1 0.0039 0.0036 0.0014 2121 TRP 74 CE2 0.0036 0.0032 0.0010 2122 TRP 74 CE3 0.0031 0.0022 0.0012 2123 TRP 74 CZ2 0.0033 0.0032 0.0003 2124 TRP 74 CZ3 0.0029 0.0022 0.0005 2125 TRP 74 CH2 0.0030 0.0027 0.0001 2126 TRP 74 H 0.0031 0.0014 0.0024 2127 TRP 74 HA 0.0037 0.0017 0.0037 2128 TRP 74 HB3 0.0037 0.0022 0.0028 2129 TRP 74 HB2 0.0041 0.0028 0.0032 2130 TRP 74 HD1 0.0043 0.0035 0.0025 2131 TRP 74 HE1 0.0040 0.0040 0.0012 2132 TRP 74 HE3 0.0030 0.0018 0.0016 2133 TRP 74 HZ2 0.0034 0.0036 -0.0001 2134 TRP 74 HZ3 0.0026 0.0019 0.0004 2135 TRP 74 HH2 0.0028 0.0028 -0.0005 2136 ASN 75 N 0.0042 0.0025 0.0038 2137 ASN 75 CA 0.0044 0.0028 0.0039 2138 ASN 75 C 0.0047 0.0035 0.0038 2139 ASN 75 O 0.0049 0.0037 0.0040 2140 ASN 75 CB 0.0046 0.0026 0.0047 2141 ASN 75 CG 0.0043 0.0019 0.0049 2142 ASN 75 OD1 0.0039 0.0016 0.0045 2143 ASN 75 ND2 0.0044 0.0017 0.0055 2144 ASN 75 H 0.0043 0.0026 0.0040 2145 ASN 75 HA 0.0042 0.0027 0.0036 2146 ASN 75 HB3 0.0047 0.0029 0.0048 2147 ASN 75 HB2 0.0047 0.0028 0.0050 2148 ASN 75 HD22 0.0042 0.0012 0.0057 2149 ASN 75 HD21 0.0046 0.0020 0.0059 2150 LEU 76 N 0.0044 0.0050 0.0025 2151 LEU 76 CA 0.0044 0.0054 0.0026 2152 LEU 76 C 0.0043 0.0058 0.0029 2153 LEU 76 O 0.0043 0.0060 0.0029 2154 LEU 76 CB 0.0047 0.0056 0.0021 2155 LEU 76 CG 0.0048 0.0052 0.0018 2156 LEU 76 CD1 0.0050 0.0055 0.0013 2157 LEU 76 CD2 0.0047 0.0050 0.0019 2158 LEU 76 H 0.0045 0.0052 0.0024 2159 LEU 76 HA 0.0043 0.0052 0.0027 2160 LEU 76 HB3 0.0047 0.0058 0.0022 2161 LEU 76 HB2 0.0047 0.0058 0.0020 2162 LEU 76 HG 0.0048 0.0049 0.0017 2163 LEU 76 HD11 0.0051 0.0052 0.0011 2164 LEU 76 HD12 0.0051 0.0056 0.0012 2165 LEU 76 HD13 0.0051 0.0057 0.0014 2166 LEU 76 HD21 0.0049 0.0049 0.0016 2167 LEU 76 HD22 0.0046 0.0051 0.0022 2168 LEU 76 HD23 0.0046 0.0046 0.0020 2169 HIS 77 N 0.0041 0.0059 0.0032 2170 HIS 77 CA 0.0040 0.0063 0.0035 2171 HIS 77 C 0.0041 0.0066 0.0034 2172 HIS 77 O 0.0041 0.0065 0.0033 2173 HIS 77 CB 0.0038 0.0061 0.0040 2174 HIS 77 CG 0.0037 0.0058 0.0041 2175 HIS 77 ND1 0.0037 0.0053 0.0040 2176 HIS 77 CD2 0.0035 0.0059 0.0044 2177 HIS 77 CE1 0.0036 0.0051 0.0042 2178 HIS 77 NE2 0.0035 0.0055 0.0045 2179 HIS 77 H 0.0041 0.0057 0.0032 2180 HIS 77 HA 0.0040 0.0064 0.0035 2181 HIS 77 HB3 0.0037 0.0064 0.0042 2182 HIS 77 HB2 0.0037 0.0058 0.0040 2183 HIS 77 HD1 0.0038 0.0051 0.0038 2184 HIS 77 HD2 0.0035 0.0062 0.0046 2185 HIS 77 HE1 0.0036 0.0048 0.0042 2186 ARG 78 N 0.0024 0.0083 0.0007 2187 ARG 78 CA 0.0024 0.0076 0.0008 2188 ARG 78 C 0.0016 0.0071 0.0004 2189 ARG 78 O 0.0011 0.0074 -0.0000 2190 ARG 78 CB 0.0026 0.0081 0.0008 2191 ARG 78 CG 0.0027 0.0075 0.0011 2192 ARG 78 CD 0.0030 0.0080 0.0011 2193 ARG 78 NE 0.0030 0.0075 0.0013 2194 ARG 78 CZ 0.0024 0.0071 0.0010 2195 ARG 78 NH1 0.0025 0.0066 0.0012 2196 ARG 78 NH2 0.0017 0.0072 0.0005 2197 ARG 78 H 0.0023 0.0088 0.0003 2198 ARG 78 HA 0.0028 0.0072 0.0013 2199 ARG 78 HB3 0.0022 0.0085 0.0004 2200 ARG 78 HB2 0.0031 0.0086 0.0010 2201 ARG 78 HG3 0.0032 0.0072 0.0016 2202 ARG 78 HG2 0.0022 0.0070 0.0010 2203 ARG 78 HD3 0.0027 0.0086 0.0007 2204 ARG 78 HD2 0.0036 0.0083 0.0014 2205 ARG 78 HH22 0.0012 0.0069 0.0003 2206 ARG 78 HH21 0.0016 0.0076 0.0003 2207 ARG 78 HH12 0.0020 0.0062 0.0011 2208 ARG 78 HH11 0.0030 0.0065 0.0016 2209 ARG 78 HE 0.0035 0.0073 0.0017 2210 ASN 79 N 0.0015 0.0063 0.0006 2211 ASN 79 CA 0.0008 0.0056 0.0004 2212 ASN 79 C 0.0008 0.0051 0.0006 2213 ASN 79 O 0.0013 0.0046 0.0011 2214 ASN 79 CB 0.0008 0.0051 0.0006 2215 ASN 79 CG 0.0002 0.0044 0.0004 2216 ASN 79 OD1 -0.0001 0.0039 0.0003 2217 ASN 79 ND2 0.0001 0.0041 0.0004 2218 ASN 79 H 0.0019 0.0061 0.0010 2219 ASN 79 HA 0.0003 0.0060 -0.0001 2220 ASN 79 HB3 0.0013 0.0049 0.0010 2221 ASN 79 HB2 0.0008 0.0056 0.0004 2222 ASN 79 HD22 -0.0003 0.0036 0.0003 2223 ASN 79 HD21 0.0005 0.0045 0.0005 2224 GLU 80 N -0.0001 0.0044 -0.0005 2225 GLU 80 CA -0.0002 0.0037 -0.0003 2226 GLU 80 C -0.0007 0.0030 -0.0008 2227 GLU 80 O -0.0010 0.0033 -0.0014 2228 GLU 80 CB -0.0001 0.0039 -0.0003 2229 GLU 80 CG -0.0002 0.0031 0.0000 2230 GLU 80 CD 0.0001 0.0034 0.0003 2231 GLU 80 OE1 -0.0000 0.0039 -0.0001 2232 GLU 80 OE2 0.0004 0.0031 0.0009 2233 GLU 80 H -0.0004 0.0047 -0.0010 2234 GLU 80 HA 0.0001 0.0034 0.0003 2235 GLU 80 HB3 -0.0004 0.0041 -0.0008 2236 GLU 80 HB2 0.0002 0.0044 0.0001 2237 GLU 80 HG3 0.0000 0.0028 0.0005 2238 GLU 80 HG2 -0.0005 0.0027 -0.0004 2239 ASP 81 N -0.0007 0.0022 -0.0005 2240 ASP 81 CA -0.0011 0.0015 -0.0008 2241 ASP 81 C -0.0011 0.0008 -0.0004 2242 ASP 81 O -0.0008 0.0005 0.0002 2243 ASP 81 CB -0.0011 0.0014 -0.0008 2244 ASP 81 CG -0.0015 0.0007 -0.0011 2245 ASP 81 OD1 -0.0018 0.0001 -0.0013 2246 ASP 81 OD2 -0.0015 0.0007 -0.0010 2247 ASP 81 H -0.0004 0.0021 0.0000 2248 ASP 81 HA -0.0015 0.0016 -0.0014 2249 ASP 81 HB3 -0.0008 0.0013 -0.0002 2250 ASP 81 HB2 -0.0011 0.0020 -0.0010 2251 PRO 82 N -0.0011 0.0001 -0.0007 2252 PRO 82 CA -0.0013 -0.0002 -0.0005 2253 PRO 82 C -0.0014 -0.0004 -0.0004 2254 PRO 82 O -0.0016 -0.0007 -0.0001 2255 PRO 82 CB -0.0014 -0.0004 -0.0009 2256 PRO 82 CG -0.0013 -0.0003 -0.0012 2257 PRO 82 CD -0.0011 0.0001 -0.0011 2258 PRO 82 HA -0.0013 -0.0002 -0.0003 2259 PRO 82 HB3 -0.0014 -0.0004 -0.0009 2260 PRO 82 HB2 -0.0016 -0.0007 -0.0009 2261 PRO 82 HG3 -0.0014 -0.0003 -0.0015 2262 PRO 82 HG2 -0.0014 -0.0004 -0.0013 2263 PRO 82 HD2 -0.0011 0.0002 -0.0013 2264 PRO 82 HD3 -0.0010 0.0003 -0.0012 2265 GLU 83 N -0.0014 -0.0003 -0.0005 2266 GLU 83 CA -0.0015 -0.0005 -0.0004 2267 GLU 83 C -0.0014 -0.0003 0.0000 2268 GLU 83 O -0.0014 -0.0004 0.0001 2269 GLU 83 CB -0.0015 -0.0005 -0.0007 2270 GLU 83 CG -0.0016 -0.0007 -0.0011 2271 GLU 83 CD -0.0018 -0.0011 -0.0010 2272 GLU 83 OE1 -0.0019 -0.0012 -0.0008 2273 GLU 83 OE2 -0.0019 -0.0013 -0.0010 2274 GLU 83 H -0.0013 -0.0001 -0.0007 2275 GLU 83 HA -0.0016 -0.0008 -0.0003 2276 GLU 83 HB3 -0.0015 -0.0006 -0.0006 2277 GLU 83 HB2 -0.0013 -0.0002 -0.0008 2278 GLU 83 HG3 -0.0016 -0.0007 -0.0013 2279 GLU 83 HG2 -0.0016 -0.0006 -0.0012 2280 ARG 84 N -0.0013 -0.0007 0.0003 2281 ARG 84 CA -0.0013 -0.0002 0.0007 2282 ARG 84 C -0.0016 -0.0004 0.0012 2283 ARG 84 O -0.0017 -0.0007 0.0012 2284 ARG 84 CB -0.0010 0.0003 0.0005 2285 ARG 84 CG -0.0009 0.0009 0.0009 2286 ARG 84 CD -0.0006 0.0014 0.0007 2287 ARG 84 NE -0.0005 0.0013 0.0006 2288 ARG 84 CZ -0.0003 0.0015 0.0003 2289 ARG 84 NH1 -0.0003 0.0015 0.0003 2290 ARG 84 NH2 0.0000 0.0018 -0.0001 2291 ARG 84 H -0.0013 -0.0008 0.0001 2292 ARG 84 HA -0.0013 -0.0002 0.0008 2293 ARG 84 HB3 -0.0009 0.0002 0.0004 2294 ARG 84 HB2 -0.0007 0.0003 0.0001 2295 ARG 84 HG3 -0.0009 0.0010 0.0010 2296 ARG 84 HG2 -0.0011 0.0009 0.0013 2297 ARG 84 HD3 -0.0003 0.0014 0.0003 2298 ARG 84 HD2 -0.0005 0.0018 0.0009 2299 ARG 84 HH22 0.0003 0.0020 -0.0004 2300 ARG 84 HH21 0.0001 0.0017 -0.0003 2301 ARG 84 HH12 -0.0001 0.0017 0.0001 2302 ARG 84 HH11 -0.0005 0.0012 0.0005 2303 ARG 84 HE -0.0008 0.0011 0.0009 2304 TYR 85 N -0.0018 -0.0002 0.0017 2305 TYR 85 CA -0.0020 -0.0001 0.0023 2306 TYR 85 C -0.0018 0.0006 0.0025 2307 TYR 85 O -0.0018 0.0008 0.0026 2308 TYR 85 CB -0.0024 -0.0005 0.0026 2309 TYR 85 CG -0.0026 -0.0005 0.0032 2310 TYR 85 CD1 -0.0027 -0.0000 0.0037 2311 TYR 85 CD2 -0.0029 -0.0010 0.0032 2312 TYR 85 CE1 -0.0029 -0.0000 0.0042 2313 TYR 85 CE2 -0.0031 -0.0010 0.0037 2314 TYR 85 CZ -0.0031 -0.0005 0.0042 2315 TYR 85 OH -0.0034 -0.0005 0.0047 2316 TYR 85 H -0.0017 0.0001 0.0018 2317 TYR 85 HA -0.0020 -0.0002 0.0022 2318 TYR 85 HB3 -0.0024 -0.0004 0.0027 2319 TYR 85 HB2 -0.0024 -0.0009 0.0024 2320 TYR 85 HD1 -0.0025 0.0003 0.0036 2321 TYR 85 HD2 -0.0028 -0.0013 0.0029 2322 TYR 85 HE1 -0.0029 0.0003 0.0045 2323 TYR 85 HE2 -0.0033 -0.0013 0.0038 2324 TYR 85 HH -0.0036 -0.0009 0.0047 2325 PRO 86 N -0.0011 0.0006 0.0026 2326 PRO 86 CA -0.0011 0.0007 0.0027 2327 PRO 86 C -0.0011 0.0007 0.0022 2328 PRO 86 O -0.0011 0.0009 0.0019 2329 PRO 86 CB -0.0010 0.0011 0.0029 2330 PRO 86 CG -0.0010 0.0011 0.0032 2331 PRO 86 CD -0.0010 0.0010 0.0028 2332 PRO 86 HA -0.0011 0.0004 0.0029 2333 PRO 86 HB3 -0.0010 0.0011 0.0031 2334 PRO 86 HB2 -0.0009 0.0014 0.0027 2335 PRO 86 HG3 -0.0010 0.0009 0.0035 2336 PRO 86 HG2 -0.0009 0.0015 0.0033 2337 PRO 86 HD2 -0.0010 0.0012 0.0026 2338 PRO 86 HD3 -0.0010 0.0009 0.0030 2339 SER 87 N -0.0011 0.0005 0.0022 2340 SER 87 CA -0.0011 0.0005 0.0017 2341 SER 87 C -0.0011 0.0010 0.0016 2342 SER 87 O -0.0011 0.0011 0.0012 2343 SER 87 CB -0.0012 0.0002 0.0017 2344 SER 87 OG -0.0012 0.0002 0.0021 2345 SER 87 H -0.0011 0.0004 0.0024 2346 SER 87 HA -0.0012 0.0005 0.0015 2347 SER 87 HB3 -0.0013 -0.0001 0.0017 2348 SER 87 HB2 -0.0012 0.0002 0.0014 2349 SER 87 HG -0.0012 0.0002 0.0020 2350 VAL 88 N 0.0012 0.0025 0.0015 2351 VAL 88 CA 0.0014 0.0034 0.0014 2352 VAL 88 C 0.0018 0.0033 0.0018 2353 VAL 88 O 0.0023 0.0028 0.0024 2354 VAL 88 CB 0.0020 0.0040 0.0017 2355 VAL 88 CG1 0.0023 0.0050 0.0017 2356 VAL 88 CG2 0.0017 0.0042 0.0014 2357 VAL 88 H 0.0016 0.0022 0.0020 2358 VAL 88 HA 0.0010 0.0037 0.0009 2359 VAL 88 HB 0.0025 0.0037 0.0023 2360 VAL 88 HG11 0.0026 0.0055 0.0018 2361 VAL 88 HG12 0.0026 0.0049 0.0020 2362 VAL 88 HG13 0.0019 0.0053 0.0012 2363 VAL 88 HG21 0.0021 0.0046 0.0016 2364 VAL 88 HG22 0.0013 0.0045 0.0009 2365 VAL 88 HG23 0.0015 0.0035 0.0014 2366 ILE 89 N 0.0016 0.0037 0.0015 2367 ILE 89 CA 0.0020 0.0038 0.0018 2368 ILE 89 C 0.0021 0.0048 0.0015 2369 ILE 89 O 0.0016 0.0052 0.0010 2370 ILE 89 CB 0.0015 0.0032 0.0015 2371 ILE 89 CG1 0.0013 0.0022 0.0018 2372 ILE 89 CG2 0.0018 0.0033 0.0018 2373 ILE 89 CD1 0.0009 0.0015 0.0016 2374 ILE 89 H 0.0012 0.0041 0.0010 2375 ILE 89 HA 0.0025 0.0036 0.0023 2376 ILE 89 HB 0.0009 0.0034 0.0010 2377 ILE 89 HG13 0.0010 0.0021 0.0015 2378 ILE 89 HG12 0.0018 0.0020 0.0023 2379 ILE 89 HG21 0.0014 0.0029 0.0015 2380 ILE 89 HG22 0.0019 0.0040 0.0016 2381 ILE 89 HG23 0.0023 0.0031 0.0023 2382 ILE 89 HD11 0.0008 0.0008 0.0017 2383 ILE 89 HD12 0.0005 0.0017 0.0011 2384 ILE 89 HD13 0.0013 0.0014 0.0020 2385 TRP 90 N 0.0048 0.0054 0.0020 2386 TRP 90 CA 0.0049 0.0058 0.0019 2387 TRP 90 C 0.0047 0.0055 0.0020 2388 TRP 90 O 0.0050 0.0051 0.0021 2389 TRP 90 CB 0.0054 0.0060 0.0020 2390 TRP 90 CG 0.0056 0.0064 0.0020 2391 TRP 90 CD1 0.0058 0.0062 0.0021 2392 TRP 90 CD2 0.0055 0.0069 0.0019 2393 TRP 90 NE1 0.0059 0.0066 0.0020 2394 TRP 90 CE2 0.0057 0.0071 0.0019 2395 TRP 90 CE3 0.0052 0.0074 0.0017 2396 TRP 90 CZ2 0.0056 0.0076 0.0018 2397 TRP 90 CZ3 0.0052 0.0079 0.0016 2398 TRP 90 CH2 0.0054 0.0081 0.0016 2399 TRP 90 H 0.0051 0.0051 0.0021 2400 TRP 90 HA 0.0046 0.0061 0.0018 2401 TRP 90 HB3 0.0055 0.0063 0.0020 2402 TRP 90 HB2 0.0057 0.0057 0.0022 2403 TRP 90 HD1 0.0059 0.0058 0.0022 2404 TRP 90 HE1 0.0060 0.0066 0.0021 2405 TRP 90 HE3 0.0051 0.0073 0.0017 2406 TRP 90 HZ2 0.0058 0.0078 0.0018 2407 TRP 90 HZ3 0.0050 0.0082 0.0015 2408 TRP 90 HH2 0.0054 0.0085 0.0016 2409 GLU 91 N 0.0043 0.0056 0.0018 2410 GLU 91 CA 0.0042 0.0055 0.0018 2411 GLU 91 C 0.0044 0.0059 0.0018 2412 GLU 91 O 0.0043 0.0064 0.0017 2413 GLU 91 CB 0.0036 0.0053 0.0017 2414 GLU 91 CG 0.0034 0.0047 0.0017 2415 GLU 91 CD 0.0029 0.0046 0.0016 2416 GLU 91 OE1 0.0025 0.0046 0.0015 2417 GLU 91 OE2 0.0028 0.0044 0.0017 2418 GLU 91 H 0.0041 0.0060 0.0017 2419 GLU 91 HA 0.0044 0.0051 0.0020 2420 GLU 91 HB3 0.0035 0.0053 0.0017 2421 GLU 91 HB2 0.0034 0.0056 0.0015 2422 GLU 91 HG3 0.0034 0.0048 0.0017 2423 GLU 91 HG2 0.0037 0.0044 0.0019 2424 ALA 92 N 0.0056 0.0058 0.0025 2425 ALA 92 CA 0.0053 0.0046 0.0026 2426 ALA 92 C 0.0052 0.0041 0.0038 2427 ALA 92 O 0.0052 0.0041 0.0041 2428 ALA 92 CB 0.0050 0.0040 0.0016 2429 ALA 92 H 0.0056 0.0060 0.0022 2430 ALA 92 HA 0.0052 0.0046 0.0024 2431 ALA 92 HB1 0.0048 0.0031 0.0016 2432 ALA 92 HB2 0.0051 0.0044 0.0007 2433 ALA 92 HB3 0.0050 0.0041 0.0017 2434 LYS 93 N 0.0050 0.0035 0.0043 2435 LYS 93 CA 0.0049 0.0027 0.0053 2436 LYS 93 C 0.0045 0.0016 0.0048 2437 LYS 93 O 0.0045 0.0014 0.0045 2438 LYS 93 CB 0.0050 0.0031 0.0063 2439 LYS 93 CG 0.0048 0.0022 0.0073 2440 LYS 93 CD 0.0050 0.0027 0.0086 2441 LYS 93 CE 0.0048 0.0017 0.0095 2442 LYS 93 NZ 0.0046 0.0008 0.0094 2443 LYS 93 H 0.0050 0.0036 0.0039 2444 LYS 93 HA 0.0049 0.0027 0.0055 2445 LYS 93 HB3 0.0051 0.0034 0.0060 2446 LYS 93 HB2 0.0053 0.0039 0.0066 2447 LYS 93 HG3 0.0047 0.0017 0.0072 2448 LYS 93 HG2 0.0047 0.0017 0.0071 2449 LYS 93 HD3 0.0052 0.0033 0.0086 2450 LYS 93 HD2 0.0052 0.0031 0.0088 2451 LYS 93 HE3 0.0047 0.0014 0.0094 2452 LYS 93 HE2 0.0050 0.0021 0.0104 2453 LYS 93 HZ1 0.0044 0.0004 0.0086 2454 LYS 93 HZ2 0.0046 0.0010 0.0095 2455 LYS 93 HZ3 0.0044 0.0002 0.0100 2456 CYS 94 N 0.0056 0.0038 0.0064 2457 CYS 94 CA 0.0050 0.0027 0.0062 2458 CYS 94 C 0.0050 0.0019 0.0071 2459 CYS 94 O 0.0054 0.0021 0.0080 2460 CYS 94 CB 0.0049 0.0023 0.0061 2461 CYS 94 SG 0.0050 0.0033 0.0055 2462 CYS 94 H 0.0057 0.0042 0.0065 2463 CYS 94 HA 0.0047 0.0026 0.0054 2464 CYS 94 HB3 0.0044 0.0016 0.0057 2465 CYS 94 HB2 0.0050 0.0021 0.0069 2466 ARG 95 N 0.0046 0.0012 0.0067 2467 ARG 95 CA 0.0045 0.0004 0.0075 2468 ARG 95 C 0.0044 -0.0004 0.0082 2469 ARG 95 O 0.0047 -0.0007 0.0091 2470 ARG 95 CB 0.0040 -0.0002 0.0068 2471 ARG 95 CG 0.0041 0.0005 0.0061 2472 ARG 95 CD 0.0036 -0.0001 0.0055 2473 ARG 95 NE 0.0036 0.0006 0.0047 2474 ARG 95 CZ 0.0033 0.0004 0.0039 2475 ARG 95 NH1 0.0028 -0.0006 0.0037 2476 ARG 95 NH2 0.0034 0.0012 0.0033 2477 ARG 95 H 0.0042 0.0010 0.0059 2478 ARG 95 HA 0.0049 0.0009 0.0080 2479 ARG 95 HB3 0.0040 -0.0008 0.0074 2480 ARG 95 HB2 0.0037 -0.0007 0.0063 2481 ARG 95 HG3 0.0041 0.0011 0.0056 2482 ARG 95 HG2 0.0045 0.0009 0.0067 2483 ARG 95 HD3 0.0036 -0.0005 0.0061 2484 ARG 95 HD2 0.0032 -0.0008 0.0051 2485 ARG 95 HH22 0.0031 0.0011 0.0027 2486 ARG 95 HH21 0.0037 0.0020 0.0033 2487 ARG 95 HH12 0.0025 -0.0007 0.0031 2488 ARG 95 HH11 0.0026 -0.0012 0.0041 2489 ARG 95 HE 0.0040 0.0013 0.0049 2490 HIS 96 N 0.0054 0.0016 0.0112 2491 HIS 96 CA 0.0051 -0.0007 0.0126 2492 HIS 96 C 0.0055 -0.0000 0.0133 2493 HIS 96 O 0.0058 0.0020 0.0122 2494 HIS 96 CB 0.0041 -0.0032 0.0107 2495 HIS 96 CG 0.0037 -0.0038 0.0097 2496 HIS 96 ND1 0.0037 -0.0050 0.0112 2497 HIS 96 CD2 0.0032 -0.0032 0.0071 2498 HIS 96 CE1 0.0033 -0.0050 0.0097 2499 HIS 96 NE2 0.0031 -0.0039 0.0071 2500 HIS 96 H 0.0052 0.0024 0.0094 2501 HIS 96 HA 0.0054 -0.0013 0.0145 2502 HIS 96 HB3 0.0038 -0.0050 0.0118 2503 HIS 96 HB2 0.0038 -0.0028 0.0089 2504 HIS 96 HD1 0.0039 -0.0058 0.0132 2505 HIS 96 HD2 0.0031 -0.0023 0.0053 2506 HIS 96 HE1 0.0033 -0.0059 0.0103 2507 LEU 97 N 0.0054 -0.0018 0.0152 2508 LEU 97 CA 0.0056 -0.0018 0.0158 2509 LEU 97 C 0.0046 -0.0035 0.0136 2510 LEU 97 O 0.0046 -0.0025 0.0123 2511 LEU 97 CB 0.0059 -0.0030 0.0187 2512 LEU 97 CG 0.0069 -0.0014 0.0210 2513 LEU 97 CD1 0.0070 -0.0031 0.0238 2514 LEU 97 CD2 0.0077 0.0014 0.0213 2515 LEU 97 H 0.0052 -0.0033 0.0161 2516 LEU 97 HA 0.0061 0.0003 0.0156 2517 LEU 97 HB3 0.0059 -0.0032 0.0191 2518 LEU 97 HB2 0.0054 -0.0051 0.0189 2519 LEU 97 HG 0.0069 -0.0010 0.0205 2520 LEU 97 HD11 0.0077 -0.0019 0.0255 2521 LEU 97 HD12 0.0066 -0.0049 0.0237 2522 LEU 97 HD13 0.0070 -0.0038 0.0243 2523 LEU 97 HD21 0.0083 0.0021 0.0234 2524 LEU 97 HD22 0.0075 0.0012 0.0209 2525 LEU 97 HD23 0.0077 0.0029 0.0198 2526 GLY 98 N 0.0031 -0.0027 0.0153 2527 GLY 98 CA 0.0022 -0.0044 0.0133 2528 GLY 98 C 0.0021 -0.0036 0.0108 2529 GLY 98 O 0.0028 -0.0015 0.0105 2530 GLY 98 H 0.0031 -0.0031 0.0164 2531 GLY 98 HA3 0.0017 -0.0061 0.0139 2532 GLY 98 HA2 0.0021 -0.0046 0.0131 2533 CYS 99 N 0.0013 -0.0051 0.0090 2534 CYS 99 CA 0.0011 -0.0047 0.0064 2535 CYS 99 C 0.0004 -0.0065 0.0059 2536 CYS 99 O -0.0002 -0.0086 0.0069 2537 CYS 99 CB 0.0008 -0.0048 0.0044 2538 CYS 99 SG 0.0015 -0.0028 0.0046 2539 CYS 99 H 0.0008 -0.0068 0.0094 2540 CYS 99 HA 0.0018 -0.0029 0.0062 2541 CYS 99 HB3 0.0007 -0.0045 0.0025 2542 CYS 99 HB2 0.0001 -0.0067 0.0044 2543 ILE 100 N 0.0028 -0.0061 0.0071 2544 ILE 100 CA 0.0039 -0.0078 0.0040 2545 ILE 100 C 0.0053 -0.0103 0.0029 2546 ILE 100 O 0.0049 -0.0095 0.0023 2547 ILE 100 CB 0.0028 -0.0054 0.0007 2548 ILE 100 CG1 0.0012 -0.0026 0.0018 2549 ILE 100 CG2 0.0039 -0.0071 -0.0025 2550 ILE 100 CD1 0.0016 -0.0035 0.0034 2551 ILE 100 H 0.0017 -0.0041 0.0066 2552 ILE 100 HA 0.0044 -0.0089 0.0048 2553 ILE 100 HB 0.0024 -0.0045 -0.0002 2554 ILE 100 HG13 0.0006 -0.0010 -0.0006 2555 ILE 100 HG12 0.0004 -0.0011 0.0037 2556 ILE 100 HG21 0.0031 -0.0053 -0.0046 2557 ILE 100 HG22 0.0049 -0.0088 -0.0037 2558 ILE 100 HG23 0.0045 -0.0084 -0.0017 2559 ILE 100 HD11 0.0005 -0.0014 0.0038 2560 ILE 100 HD12 0.0026 -0.0051 0.0017 2561 ILE 100 HD13 0.0021 -0.0047 0.0060 2562 ASN 101 N 0.0069 -0.0133 0.0027 2563 ASN 101 CA 0.0084 -0.0160 0.0016 2564 ASN 101 C 0.0088 -0.0164 -0.0025 2565 ASN 101 O 0.0080 -0.0146 -0.0043 2566 ASN 101 CB 0.0099 -0.0191 0.0038 2567 ASN 101 CG 0.0107 -0.0206 0.0029 2568 ASN 101 OD1 0.0103 -0.0195 0.0005 2569 ASN 101 ND2 0.0120 -0.0232 0.0047 2570 ASN 101 H 0.0071 -0.0137 0.0032 2571 ASN 101 HA 0.0082 -0.0157 0.0021 2572 ASN 101 HB3 0.0094 -0.0186 0.0067 2573 ASN 101 HB2 0.0108 -0.0209 0.0035 2574 ASN 101 HD22 0.0128 -0.0246 0.0038 2575 ASN 101 HD21 0.0123 -0.0241 0.0067 2576 ALA 102 N 0.0164 -0.0204 -0.0016 2577 ALA 102 CA 0.0184 -0.0215 -0.0083 2578 ALA 102 C 0.0195 -0.0219 -0.0136 2579 ALA 102 O 0.0186 -0.0204 -0.0196 2580 ALA 102 CB 0.0232 -0.0260 -0.0075 2581 ALA 102 H 0.0184 -0.0226 0.0023 2582 ALA 102 HA 0.0156 -0.0187 -0.0103 2583 ALA 102 HB1 0.0247 -0.0269 -0.0123 2584 ALA 102 HB2 0.0225 -0.0257 -0.0040 2585 ALA 102 HB3 0.0262 -0.0289 -0.0055 2586 ASP 103 N 0.0213 -0.0238 -0.0113 2587 ASP 103 CA 0.0226 -0.0246 -0.0154 2588 ASP 103 C 0.0179 -0.0201 -0.0173 2589 ASP 103 O 0.0184 -0.0201 -0.0210 2590 ASP 103 CB 0.0262 -0.0282 -0.0119 2591 ASP 103 CG 0.0305 -0.0326 -0.0084 2592 ASP 103 OD1 0.0327 -0.0343 -0.0112 2593 ASP 103 OD2 0.0319 -0.0343 -0.0032 2594 ASP 103 H 0.0222 -0.0252 -0.0065 2595 ASP 103 HA 0.0246 -0.0258 -0.0201 2596 ASP 103 HB3 0.0279 -0.0293 -0.0157 2597 ASP 103 HB2 0.0240 -0.0266 -0.0081 2598 GLY 104 N 0.0134 -0.0157 -0.0111 2599 GLY 104 CA 0.0104 -0.0110 -0.0111 2600 GLY 104 C 0.0080 -0.0105 -0.0068 2601 GLY 104 O 0.0057 -0.0068 -0.0068 2602 GLY 104 H 0.0135 -0.0171 -0.0097 2603 GLY 104 HA3 0.0109 -0.0093 -0.0145 2604 GLY 104 HA2 0.0093 -0.0093 -0.0110 2605 ASN 105 N 0.0086 -0.0142 -0.0033 2606 ASN 105 CA 0.0066 -0.0143 0.0010 2607 ASN 105 C 0.0043 -0.0138 0.0050 2608 ASN 105 O 0.0051 -0.0149 0.0049 2609 ASN 105 CB 0.0087 -0.0189 0.0024 2610 ASN 105 CG 0.0107 -0.0194 -0.0008 2611 ASN 105 OD1 0.0118 -0.0223 0.0006 2612 ASN 105 ND2 0.0111 -0.0167 -0.0052 2613 ASN 105 H 0.0104 -0.0171 -0.0033 2614 ASN 105 HA 0.0052 -0.0116 0.0003 2615 ASN 105 HB3 0.0072 -0.0192 0.0060 2616 ASN 105 HB2 0.0104 -0.0217 0.0027 2617 ASN 105 HD22 0.0125 -0.0173 -0.0074 2618 ASN 105 HD21 0.0103 -0.0145 -0.0065 2619 VAL 106 N -0.0001 -0.0127 0.0091 2620 VAL 106 CA -0.0002 -0.0117 0.0102 2621 VAL 106 C -0.0013 -0.0152 0.0111 2622 VAL 106 O -0.0023 -0.0167 0.0137 2623 VAL 106 CB -0.0003 -0.0090 0.0136 2624 VAL 106 CG1 -0.0004 -0.0081 0.0149 2625 VAL 106 CG2 0.0007 -0.0056 0.0129 2626 VAL 106 H -0.0006 -0.0127 0.0110 2627 VAL 106 HA 0.0007 -0.0105 0.0080 2628 VAL 106 HB -0.0012 -0.0103 0.0157 2629 VAL 106 HG11 -0.0005 -0.0060 0.0171 2630 VAL 106 HG12 -0.0013 -0.0104 0.0159 2631 VAL 106 HG13 0.0004 -0.0070 0.0128 2632 VAL 106 HG21 0.0005 -0.0039 0.0154 2633 VAL 106 HG22 0.0016 -0.0040 0.0110 2634 VAL 106 HG23 0.0008 -0.0061 0.0119 2635 ASP 107 N -0.0010 -0.0162 0.0090 2636 ASP 107 CA -0.0019 -0.0190 0.0099 2637 ASP 107 C -0.0021 -0.0171 0.0124 2638 ASP 107 O -0.0012 -0.0144 0.0115 2639 ASP 107 CB -0.0016 -0.0208 0.0066 2640 ASP 107 CG -0.0025 -0.0238 0.0075 2641 ASP 107 OD1 -0.0036 -0.0252 0.0104 2642 ASP 107 OD2 -0.0022 -0.0248 0.0051 2643 ASP 107 H -0.0001 -0.0147 0.0070 2644 ASP 107 HA -0.0028 -0.0210 0.0113 2645 ASP 107 HB3 -0.0007 -0.0189 0.0051 2646 ASP 107 HB2 -0.0014 -0.0220 0.0048 2647 TYR 108 N -0.0085 -0.0202 0.0169 2648 TYR 108 CA -0.0040 -0.0153 0.0224 2649 TYR 108 C -0.0040 -0.0133 0.0199 2650 TYR 108 O -0.0003 -0.0082 0.0233 2651 TYR 108 CB -0.0022 -0.0196 0.0314 2652 TYR 108 CG -0.0048 -0.0274 0.0339 2653 TYR 108 CD1 -0.0085 -0.0351 0.0334 2654 TYR 108 CD2 -0.0034 -0.0271 0.0370 2655 TYR 108 CE1 -0.0108 -0.0423 0.0358 2656 TYR 108 CE2 -0.0057 -0.0343 0.0393 2657 TYR 108 CZ -0.0095 -0.0419 0.0387 2658 TYR 108 OH -0.0118 -0.0489 0.0409 2659 TYR 108 H -0.0110 -0.0261 0.0175 2660 TYR 108 HA -0.0014 -0.0094 0.0219 2661 TYR 108 HB3 -0.0022 -0.0208 0.0327 2662 TYR 108 HB2 0.0015 -0.0153 0.0355 2663 TYR 108 HD1 -0.0096 -0.0354 0.0311 2664 TYR 108 HD2 -0.0005 -0.0213 0.0374 2665 TYR 108 HE1 -0.0137 -0.0481 0.0354 2666 TYR 108 HE2 -0.0046 -0.0339 0.0415 2667 TYR 108 HH -0.0120 -0.0480 0.0394 2668 HIS 109 N -0.0082 -0.0171 0.0142 2669 HIS 109 CA -0.0086 -0.0152 0.0112 2670 HIS 109 C -0.0073 -0.0072 0.0051 2671 HIS 109 O -0.0061 -0.0035 0.0041 2672 HIS 109 CB -0.0134 -0.0222 0.0072 2673 HIS 109 CG -0.0149 -0.0304 0.0127 2674 HIS 109 ND1 -0.0179 -0.0361 0.0120 2675 HIS 109 CD2 -0.0140 -0.0339 0.0190 2676 HIS 109 CE1 -0.0185 -0.0426 0.0177 2677 HIS 109 NE2 -0.0162 -0.0417 0.0222 2678 HIS 109 H -0.0112 -0.0214 0.0115 2679 HIS 109 HA -0.0061 -0.0146 0.0164 2680 HIS 109 HB3 -0.0136 -0.0208 0.0051 2681 HIS 109 HB2 -0.0160 -0.0227 0.0015 2682 HIS 109 HD1 -0.0190 -0.0351 0.0082 2683 HIS 109 HD2 -0.0118 -0.0315 0.0215 2684 HIS 109 HE1 -0.0206 -0.0480 0.0187 2685 MET 110 N -0.0027 -0.0046 0.0052 2686 MET 110 CA -0.0017 -0.0029 0.0038 2687 MET 110 C -0.0003 -0.0012 0.0052 2688 MET 110 O -0.0003 -0.0014 0.0072 2689 MET 110 CB -0.0019 -0.0030 0.0021 2690 MET 110 CG -0.0033 -0.0046 0.0005 2691 MET 110 SD -0.0034 -0.0045 -0.0013 2692 MET 110 CE -0.0023 -0.0026 -0.0033 2693 MET 110 H -0.0029 -0.0050 0.0059 2694 MET 110 HA -0.0017 -0.0027 0.0029 2695 MET 110 HB3 -0.0012 -0.0017 0.0010 2696 MET 110 HB2 -0.0019 -0.0031 0.0029 2697 MET 110 HG3 -0.0035 -0.0047 -0.0005 2698 MET 110 HG2 -0.0041 -0.0059 0.0016 2699 MET 110 HE1 -0.0023 -0.0025 -0.0047 2700 MET 110 HE2 -0.0026 -0.0029 -0.0039 2701 MET 110 HE3 -0.0013 -0.0013 -0.0025 2702 ASN 111 N 0.0007 0.0005 0.0042 2703 ASN 111 CA 0.0021 0.0023 0.0054 2704 ASN 111 C 0.0029 0.0037 0.0040 2705 ASN 111 O 0.0030 0.0041 0.0020 2706 ASN 111 CB 0.0027 0.0031 0.0057 2707 ASN 111 CG 0.0022 0.0021 0.0074 2708 ASN 111 OD1 0.0026 0.0027 0.0076 2709 ASN 111 ND2 0.0013 0.0006 0.0087 2710 ASN 111 H 0.0006 0.0007 0.0025 2711 ASN 111 HA 0.0021 0.0020 0.0070 2712 ASN 111 HB3 0.0037 0.0045 0.0063 2713 ASN 111 HB2 0.0027 0.0033 0.0041 2714 ASN 111 HD22 0.0009 -0.0001 0.0097 2715 ASN 111 HD21 0.0009 0.0001 0.0084 2716 SER 112 N 0.0029 0.0012 0.0040 2717 SER 112 CA 0.0042 0.0014 0.0040 2718 SER 112 C 0.0056 0.0017 0.0034 2719 SER 112 O 0.0062 0.0017 0.0041 2720 SER 112 CB 0.0046 0.0011 0.0057 2721 SER 112 OG 0.0035 0.0008 0.0063 2722 SER 112 H 0.0029 0.0010 0.0049 2723 SER 112 HA 0.0039 0.0015 0.0033 2724 SER 112 HB3 0.0057 0.0012 0.0058 2725 SER 112 HB2 0.0046 0.0009 0.0065 2726 SER 112 HG 0.0026 0.0006 0.0067 2727 VAL 113 N 0.0062 0.0021 0.0021 2728 VAL 113 CA 0.0077 0.0025 0.0014 2729 VAL 113 C 0.0089 0.0027 0.0014 2730 VAL 113 O 0.0084 0.0027 0.0010 2731 VAL 113 CB 0.0073 0.0028 -0.0002 2732 VAL 113 CG1 0.0063 0.0026 -0.0001 2733 VAL 113 CG2 0.0066 0.0029 -0.0014 2734 VAL 113 H 0.0057 0.0021 0.0015 2735 VAL 113 HA 0.0081 0.0024 0.0022 2736 VAL 113 HB 0.0084 0.0031 -0.0007 2737 VAL 113 HG11 0.0062 0.0028 -0.0013 2738 VAL 113 HG12 0.0069 0.0025 0.0006 2739 VAL 113 HG13 0.0052 0.0023 0.0003 2740 VAL 113 HG21 0.0063 0.0031 -0.0025 2741 VAL 113 HG22 0.0056 0.0026 -0.0010 2742 VAL 113 HG23 0.0074 0.0031 -0.0017 2743 PRO 114 N 0.0059 0.0014 0.0003 2744 PRO 114 CA 0.0060 0.0016 0.0002 2745 PRO 114 C 0.0060 0.0021 -0.0003 2746 PRO 114 O 0.0063 0.0023 -0.0004 2747 PRO 114 CB 0.0066 0.0015 0.0005 2748 PRO 114 CG 0.0069 0.0015 0.0006 2749 PRO 114 CD 0.0064 0.0013 0.0005 2750 PRO 114 HA 0.0057 0.0014 0.0002 2751 PRO 114 HB3 0.0065 0.0011 0.0008 2752 PRO 114 HB2 0.0068 0.0017 0.0004 2753 PRO 114 HG3 0.0072 0.0014 0.0008 2754 PRO 114 HG2 0.0071 0.0019 0.0003 2755 PRO 114 HD2 0.0065 0.0015 0.0004 2756 PRO 114 HD3 0.0064 0.0010 0.0008 2757 ILE 115 N 0.0057 0.0022 -0.0005 2758 ILE 115 CA 0.0057 0.0026 -0.0009 2759 ILE 115 C 0.0062 0.0028 -0.0008 2760 ILE 115 O 0.0063 0.0026 -0.0006 2761 ILE 115 CB 0.0052 0.0027 -0.0011 2762 ILE 115 CG1 0.0046 0.0025 -0.0011 2763 ILE 115 CG2 0.0052 0.0031 -0.0015 2764 ILE 115 CD1 0.0041 0.0024 -0.0013 2765 ILE 115 H 0.0055 0.0019 -0.0003 2766 ILE 115 HA 0.0057 0.0028 -0.0010 2767 ILE 115 HB 0.0052 0.0024 -0.0009 2768 ILE 115 HG13 0.0046 0.0021 -0.0008 2769 ILE 115 HG12 0.0046 0.0027 -0.0013 2770 ILE 115 HG21 0.0049 0.0032 -0.0016 2771 ILE 115 HG22 0.0056 0.0033 -0.0015 2772 ILE 115 HG23 0.0052 0.0034 -0.0017 2773 ILE 115 HD11 0.0037 0.0023 -0.0013 2774 ILE 115 HD12 0.0041 0.0022 -0.0011 2775 ILE 115 HD13 0.0041 0.0028 -0.0016 2776 GLN 116 N 0.0055 0.0038 -0.0007 2777 GLN 116 CA 0.0053 0.0038 -0.0007 2778 GLN 116 C 0.0042 0.0047 -0.0001 2779 GLN 116 O 0.0043 0.0056 0.0005 2780 GLN 116 CB 0.0066 0.0040 -0.0006 2781 GLN 116 CG 0.0077 0.0032 -0.0012 2782 GLN 116 CD 0.0085 0.0028 -0.0015 2783 GLN 116 OE1 0.0092 0.0034 -0.0011 2784 GLN 116 NE2 0.0085 0.0016 -0.0021 2785 GLN 116 H 0.0059 0.0045 -0.0003 2786 GLN 116 HA 0.0049 0.0030 -0.0011 2787 GLN 116 HB3 0.0064 0.0039 -0.0007 2788 GLN 116 HB2 0.0069 0.0049 -0.0001 2789 GLN 116 HG3 0.0084 0.0036 -0.0010 2790 GLN 116 HG2 0.0072 0.0024 -0.0016 2791 GLN 116 HE22 0.0090 0.0013 -0.0024 2792 GLN 116 HE21 0.0078 0.0011 -0.0024 2793 GLN 117 N 0.0032 0.0044 -0.0002 2794 GLN 117 CA 0.0022 0.0052 0.0003 2795 GLN 117 C 0.0022 0.0053 0.0004 2796 GLN 117 O 0.0024 0.0044 -0.0001 2797 GLN 117 CB 0.0008 0.0046 0.0001 2798 GLN 117 CG -0.0004 0.0053 0.0006 2799 GLN 117 CD -0.0003 0.0065 0.0013 2800 GLN 117 OE1 0.0000 0.0074 0.0018 2801 GLN 117 NE2 -0.0003 0.0065 0.0013 2802 GLN 117 H 0.0032 0.0036 -0.0006 2803 GLN 117 HA 0.0023 0.0060 0.0008 2804 GLN 117 HB3 0.0006 0.0038 -0.0004 2805 GLN 117 HB2 0.0009 0.0043 -0.0001 2806 GLN 117 HG3 -0.0006 0.0055 0.0007 2807 GLN 117 HG2 -0.0013 0.0049 0.0004 2808 GLN 117 HE22 -0.0002 0.0073 0.0018 2809 GLN 117 HE21 -0.0005 0.0058 0.0009 2810 GLU 118 N 0.0028 0.0094 0.0023 2811 GLU 118 CA 0.0029 0.0094 0.0023 2812 GLU 118 C 0.0010 0.0088 0.0025 2813 GLU 118 O -0.0002 0.0097 0.0031 2814 GLU 118 CB 0.0034 0.0113 0.0028 2815 GLU 118 CG 0.0054 0.0118 0.0025 2816 GLU 118 CD 0.0060 0.0133 0.0029 2817 GLU 118 OE1 0.0049 0.0144 0.0035 2818 GLU 118 OE2 0.0075 0.0134 0.0026 2819 GLU 118 H 0.0023 0.0104 0.0028 2820 GLU 118 HA 0.0038 0.0086 0.0018 2821 GLU 118 HB3 0.0029 0.0114 0.0030 2822 GLU 118 HB2 0.0027 0.0122 0.0033 2823 GLU 118 HG3 0.0058 0.0121 0.0025 2824 GLU 118 HG2 0.0061 0.0107 0.0020 2825 ILE 119 N 0.0009 0.0074 0.0021 2826 ILE 119 CA -0.0007 0.0067 0.0022 2827 ILE 119 C -0.0004 0.0065 0.0021 2828 ILE 119 O 0.0011 0.0064 0.0017 2829 ILE 119 CB -0.0014 0.0049 0.0018 2830 ILE 119 CG1 -0.0002 0.0034 0.0010 2831 ILE 119 CG2 -0.0019 0.0051 0.0020 2832 ILE 119 CD1 -0.0012 0.0017 0.0006 2833 ILE 119 H 0.0020 0.0068 0.0016 2834 ILE 119 HA -0.0017 0.0076 0.0028 2835 ILE 119 HB -0.0026 0.0046 0.0020 2836 ILE 119 HG13 0.0004 0.0035 0.0009 2837 ILE 119 HG12 0.0009 0.0035 0.0008 2838 ILE 119 HG21 -0.0026 0.0039 0.0017 2839 ILE 119 HG22 -0.0028 0.0061 0.0025 2840 ILE 119 HG23 -0.0007 0.0054 0.0018 2841 ILE 119 HD11 -0.0004 0.0007 0.0001 2842 ILE 119 HD12 -0.0019 0.0014 0.0007 2843 ILE 119 HD13 -0.0022 0.0016 0.0008 2844 LEU 120 N -0.0026 0.0030 0.0025 2845 LEU 120 CA -0.0027 0.0024 0.0024 2846 LEU 120 C -0.0029 0.0017 0.0022 2847 LEU 120 O -0.0032 0.0016 0.0024 2848 LEU 120 CB -0.0032 0.0025 0.0029 2849 LEU 120 CG -0.0030 0.0032 0.0031 2850 LEU 120 CD1 -0.0035 0.0033 0.0037 2851 LEU 120 CD2 -0.0026 0.0033 0.0026 2852 LEU 120 H -0.0029 0.0031 0.0030 2853 LEU 120 HA -0.0024 0.0025 0.0020 2854 LEU 120 HB3 -0.0033 0.0020 0.0028 2855 LEU 120 HB2 -0.0035 0.0025 0.0033 2856 LEU 120 HG -0.0029 0.0037 0.0032 2857 LEU 120 HD11 -0.0035 0.0038 0.0040 2858 LEU 120 HD12 -0.0039 0.0031 0.0041 2859 LEU 120 HD13 -0.0036 0.0029 0.0037 2860 LEU 120 HD21 -0.0025 0.0037 0.0028 2861 LEU 120 HD22 -0.0026 0.0027 0.0024 2862 LEU 120 HD23 -0.0022 0.0035 0.0022 2863 VAL 121 N -0.0028 0.0011 0.0017 2864 VAL 121 CA -0.0030 0.0004 0.0016 2865 VAL 121 C -0.0031 -0.0001 0.0015 2866 VAL 121 O -0.0029 0.0002 0.0014 2867 VAL 121 CB -0.0026 0.0001 0.0009 2868 VAL 121 CG1 -0.0024 0.0005 0.0010 2869 VAL 121 CG2 -0.0020 0.0003 0.0004 2870 VAL 121 H -0.0025 0.0013 0.0015 2871 VAL 121 HA -0.0034 0.0002 0.0019 2872 VAL 121 HB -0.0027 -0.0005 0.0008 2873 VAL 121 HG11 -0.0022 0.0004 0.0006 2874 VAL 121 HG12 -0.0028 0.0004 0.0014 2875 VAL 121 HG13 -0.0022 0.0012 0.0011 2876 VAL 121 HG21 -0.0017 0.0001 -0.0000 2877 VAL 121 HG22 -0.0018 0.0008 0.0004 2878 VAL 121 HG23 -0.0021 -0.0001 0.0002 2879 LEU 122 N -0.0022 0.0004 0.0017 2880 LEU 122 CA -0.0024 -0.0001 0.0015 2881 LEU 122 C -0.0021 -0.0004 0.0008 2882 LEU 122 O -0.0021 -0.0006 0.0006 2883 LEU 122 CB -0.0030 -0.0006 0.0019 2884 LEU 122 CG -0.0033 -0.0003 0.0026 2885 LEU 122 CD1 -0.0038 -0.0009 0.0030 2886 LEU 122 CD2 -0.0033 -0.0001 0.0029 2887 LEU 122 H -0.0023 0.0003 0.0017 2888 LEU 122 HA -0.0024 0.0001 0.0016 2889 LEU 122 HB3 -0.0031 -0.0010 0.0017 2890 LEU 122 HB2 -0.0030 -0.0008 0.0018 2891 LEU 122 HG -0.0032 0.0001 0.0028 2892 LEU 122 HD11 -0.0041 -0.0007 0.0035 2893 LEU 122 HD12 -0.0039 -0.0010 0.0028 2894 LEU 122 HD13 -0.0040 -0.0013 0.0028 2895 LEU 122 HD21 -0.0036 0.0001 0.0034 2896 LEU 122 HD22 -0.0035 -0.0005 0.0027 2897 LEU 122 HD23 -0.0030 0.0003 0.0027 2898 ARG 123 N -0.0019 -0.0005 0.0005 2899 ARG 123 CA -0.0018 -0.0010 -0.0002 2900 ARG 123 C -0.0021 -0.0016 -0.0002 2901 ARG 123 O -0.0023 -0.0014 0.0002 2902 ARG 123 CB -0.0012 -0.0006 -0.0007 2903 ARG 123 CG -0.0010 -0.0011 -0.0013 2904 ARG 123 CD -0.0005 -0.0007 -0.0019 2905 ARG 123 NE -0.0002 -0.0003 -0.0019 2906 ARG 123 CZ -0.0002 -0.0004 -0.0020 2907 ARG 123 NH1 -0.0004 -0.0010 -0.0022 2908 ARG 123 NH2 -0.0000 0.0001 -0.0018 2909 ARG 123 H -0.0020 -0.0003 0.0007 2910 ARG 123 HA -0.0018 -0.0012 -0.0003 2911 ARG 123 HB3 -0.0012 -0.0004 -0.0005 2912 ARG 123 HB2 -0.0010 -0.0002 -0.0006 2913 ARG 123 HG3 -0.0012 -0.0014 -0.0014 2914 ARG 123 HG2 -0.0012 -0.0014 -0.0014 2915 ARG 123 HD3 -0.0004 -0.0011 -0.0023 2916 ARG 123 HD2 -0.0003 -0.0005 -0.0019 2917 ARG 123 HH22 0.0000 0.0000 -0.0019 2918 ARG 123 HH21 0.0001 0.0006 -0.0016 2919 ARG 123 HH12 -0.0004 -0.0011 -0.0023 2920 ARG 123 HH11 -0.0005 -0.0014 -0.0023 2921 ARG 123 HE -0.0001 0.0002 -0.0017 2922 ARG 124 N -0.0022 -0.0004 0.0008 2923 ARG 124 CA -0.0023 -0.0007 0.0008 2924 ARG 124 C -0.0024 -0.0009 0.0005 2925 ARG 124 O -0.0024 -0.0007 0.0002 2926 ARG 124 CB -0.0023 -0.0007 0.0006 2927 ARG 124 CG -0.0023 -0.0006 0.0009 2928 ARG 124 CD -0.0023 -0.0007 0.0008 2929 ARG 124 NE -0.0022 -0.0005 0.0010 2930 ARG 124 CZ -0.0022 -0.0005 0.0013 2931 ARG 124 NH1 -0.0022 -0.0008 0.0014 2932 ARG 124 NH2 -0.0021 -0.0003 0.0014 2933 ARG 124 H -0.0022 -0.0002 0.0007 2934 ARG 124 HA -0.0023 -0.0008 0.0010 2935 ARG 124 HB3 -0.0024 -0.0010 0.0006 2936 ARG 124 HB2 -0.0023 -0.0006 0.0004 2937 ARG 124 HG3 -0.0022 -0.0004 0.0009 2938 ARG 124 HG2 -0.0022 -0.0008 0.0011 2939 ARG 124 HD3 -0.0023 -0.0009 0.0008 2940 ARG 124 HD2 -0.0023 -0.0006 0.0005 2941 ARG 124 HH22 -0.0021 -0.0004 0.0016 2942 ARG 124 HH21 -0.0021 -0.0001 0.0013 2943 ARG 124 HH12 -0.0021 -0.0009 0.0017 2944 ARG 124 HH11 -0.0022 -0.0010 0.0013 2945 ARG 124 HE -0.0022 -0.0003 0.0008 2946 GLU 125 N -0.0024 -0.0011 0.0006 2947 GLU 125 CA -0.0025 -0.0013 0.0004 2948 GLU 125 C -0.0025 -0.0017 0.0005 2949 GLU 125 O -0.0025 -0.0018 0.0008 2950 GLU 125 CB -0.0024 -0.0012 0.0005 2951 GLU 125 CG -0.0025 -0.0014 0.0003 2952 GLU 125 CD -0.0025 -0.0012 0.0003 2953 GLU 125 OE1 -0.0024 -0.0009 0.0002 2954 GLU 125 OE2 -0.0025 -0.0014 0.0004 2955 GLU 125 H -0.0024 -0.0012 0.0008 2956 GLU 125 HA -0.0025 -0.0012 0.0002 2957 GLU 125 HB3 -0.0024 -0.0012 0.0007 2958 GLU 125 HB2 -0.0024 -0.0009 0.0004 2959 GLU 125 HG3 -0.0026 -0.0014 0.0000 2960 GLU 125 HG2 -0.0026 -0.0016 0.0003 2961 PRO 126 N -0.0029 -0.0017 0.0003 2962 PRO 126 CA -0.0030 -0.0015 -0.0000 2963 PRO 126 C -0.0029 -0.0012 -0.0001 2964 PRO 126 O -0.0028 -0.0012 0.0001 2965 PRO 126 CB -0.0033 -0.0018 -0.0002 2966 PRO 126 CG -0.0033 -0.0020 0.0001 2967 PRO 126 CD -0.0031 -0.0020 0.0004 2968 PRO 126 HA -0.0031 -0.0015 -0.0001 2969 PRO 126 HB3 -0.0034 -0.0019 -0.0002 2970 PRO 126 HB2 -0.0034 -0.0017 -0.0004 2971 PRO 126 HG3 -0.0034 -0.0022 0.0000 2972 PRO 126 HG2 -0.0032 -0.0019 0.0000 2973 PRO 126 HD2 -0.0030 -0.0020 0.0005 2974 PRO 126 HD3 -0.0031 -0.0022 0.0004 2975 PRO 127 N -0.0030 -0.0010 -0.0004 2976 PRO 127 CA -0.0029 -0.0008 -0.0005 2977 PRO 127 C -0.0029 -0.0008 -0.0005 2978 PRO 127 O -0.0031 -0.0011 -0.0005 2979 PRO 127 CB -0.0030 -0.0006 -0.0008 2980 PRO 127 CG -0.0031 -0.0008 -0.0008 2981 PRO 127 CD -0.0031 -0.0011 -0.0006 2982 PRO 127 HA -0.0027 -0.0006 -0.0004 2983 PRO 127 HB3 -0.0029 -0.0004 -0.0009 2984 PRO 127 HB2 -0.0032 -0.0007 -0.0010 2985 PRO 127 HG3 -0.0030 -0.0006 -0.0007 2986 PRO 127 HG2 -0.0032 -0.0008 -0.0010 2987 PRO 127 HD2 -0.0033 -0.0012 -0.0007 2988 PRO 127 HD3 -0.0031 -0.0011 -0.0005 2989 HIS 128 N -0.0028 -0.0004 -0.0000 2990 HIS 128 CA -0.0027 -0.0004 0.0001 2991 HIS 128 C -0.0026 -0.0007 0.0004 2992 HIS 128 O -0.0025 -0.0007 0.0005 2993 HIS 128 CB -0.0029 -0.0004 -0.0001 2994 HIS 128 CG -0.0030 -0.0002 -0.0004 2995 HIS 128 ND1 -0.0029 0.0001 -0.0005 2996 HIS 128 CD2 -0.0032 -0.0003 -0.0007 2997 HIS 128 CE1 -0.0031 0.0002 -0.0008 2998 HIS 128 NE2 -0.0033 -0.0000 -0.0009 2999 HIS 128 H -0.0027 -0.0002 -0.0000 3000 HIS 128 HA -0.0026 -0.0002 0.0002 3001 HIS 128 HB3 -0.0028 -0.0004 -0.0001 3002 HIS 128 HB2 -0.0030 -0.0007 -0.0002 3003 HIS 128 HD1 -0.0028 0.0003 -0.0003 3004 HIS 128 HD2 -0.0033 -0.0005 -0.0008 3005 HIS 128 HE1 -0.0031 0.0005 -0.0009 3006 SER 129 N -0.0025 -0.0009 0.0005 3007 SER 129 CA -0.0024 -0.0011 0.0008 3008 SER 129 C -0.0022 -0.0010 0.0010 3009 SER 129 O -0.0021 -0.0007 0.0011 3010 SER 129 CB -0.0024 -0.0013 0.0008 3011 SER 129 OG -0.0023 -0.0016 0.0011 3012 SER 129 H -0.0026 -0.0009 0.0004 3013 SER 129 HA -0.0025 -0.0013 0.0007 3014 SER 129 HB3 -0.0024 -0.0012 0.0009 3015 SER 129 HB2 -0.0026 -0.0015 0.0007 3016 SER 129 HG -0.0023 -0.0017 0.0011 3017 PRO 130 N -0.0013 -0.0005 0.0017 3018 PRO 130 CA -0.0011 -0.0003 0.0023 3019 PRO 130 C -0.0010 -0.0004 0.0025 3020 PRO 130 O -0.0009 -0.0001 0.0029 3021 PRO 130 CB -0.0009 -0.0005 0.0026 3022 PRO 130 CG -0.0009 -0.0011 0.0023 3023 PRO 130 CD -0.0012 -0.0010 0.0017 3024 PRO 130 HA -0.0013 0.0002 0.0024 3025 PRO 130 HB3 -0.0010 -0.0002 0.0026 3026 PRO 130 HB2 -0.0007 -0.0006 0.0030 3027 PRO 130 HG3 -0.0008 -0.0013 0.0023 3028 PRO 130 HG2 -0.0007 -0.0014 0.0024 3029 PRO 130 HD2 -0.0012 -0.0013 0.0014 3030 PRO 130 HD3 -0.0013 -0.0008 0.0015 3031 ASN 131 N -0.0010 -0.0008 0.0022 3032 ASN 131 CA -0.0008 -0.0011 0.0024 3033 ASN 131 C -0.0010 -0.0012 0.0020 3034 ASN 131 O -0.0008 -0.0015 0.0022 3035 ASN 131 CB -0.0005 -0.0016 0.0027 3036 ASN 131 CG -0.0005 -0.0022 0.0023 3037 ASN 131 OD1 -0.0007 -0.0021 0.0018 3038 ASN 131 ND2 -0.0002 -0.0026 0.0025 3039 ASN 131 H -0.0011 -0.0010 0.0018 3040 ASN 131 HA -0.0008 -0.0008 0.0027 3041 ASN 131 HB3 -0.0004 -0.0015 0.0030 3042 ASN 131 HB2 -0.0003 -0.0018 0.0029 3043 ASN 131 HD22 -0.0002 -0.0030 0.0022 3044 ASN 131 HD21 -0.0000 -0.0027 0.0029 3045 SER 132 N -0.0017 -0.0011 0.0021 3046 SER 132 CA -0.0018 -0.0011 0.0019 3047 SER 132 C -0.0020 -0.0009 0.0018 3048 SER 132 O -0.0021 -0.0009 0.0018 3049 SER 132 CB -0.0017 -0.0013 0.0017 3050 SER 132 OG -0.0017 -0.0013 0.0016 3051 SER 132 H -0.0017 -0.0011 0.0022 3052 SER 132 HA -0.0018 -0.0011 0.0019 3053 SER 132 HB3 -0.0015 -0.0014 0.0018 3054 SER 132 HB2 -0.0017 -0.0013 0.0015 3055 SER 132 HG -0.0018 -0.0012 0.0015 3056 PHE 133 N -0.0021 -0.0008 0.0018 3057 PHE 133 CA -0.0023 -0.0006 0.0017 3058 PHE 133 C -0.0024 -0.0006 0.0015 3059 PHE 133 O -0.0023 -0.0008 0.0014 3060 PHE 133 CB -0.0024 -0.0005 0.0019 3061 PHE 133 CG -0.0023 -0.0005 0.0022 3062 PHE 133 CD1 -0.0021 -0.0006 0.0023 3063 PHE 133 CD2 -0.0024 -0.0003 0.0023 3064 PHE 133 CE1 -0.0021 -0.0006 0.0026 3065 PHE 133 CE2 -0.0023 -0.0003 0.0025 3066 PHE 133 CZ -0.0022 -0.0004 0.0026 3067 PHE 133 H -0.0020 -0.0009 0.0018 3068 PHE 133 HA -0.0023 -0.0006 0.0017 3069 PHE 133 HB3 -0.0025 -0.0003 0.0019 3070 PHE 133 HB2 -0.0023 -0.0005 0.0019 3071 PHE 133 HD1 -0.0020 -0.0007 0.0023 3072 PHE 133 HD2 -0.0025 -0.0002 0.0021 3073 PHE 133 HE1 -0.0019 -0.0007 0.0027 3074 PHE 133 HE2 -0.0024 -0.0002 0.0025 3075 PHE 133 HZ -0.0021 -0.0004 0.0028 3076 ARG 134 N -0.0033 -0.0013 0.0015 3077 ARG 134 CA -0.0032 -0.0009 0.0015 3078 ARG 134 C -0.0033 -0.0007 0.0016 3079 ARG 134 O -0.0033 -0.0008 0.0016 3080 ARG 134 CB -0.0029 -0.0008 0.0013 3081 ARG 134 CG -0.0028 -0.0003 0.0013 3082 ARG 134 CD -0.0025 -0.0002 0.0010 3083 ARG 134 NE -0.0024 -0.0004 0.0009 3084 ARG 134 CZ -0.0023 -0.0002 0.0009 3085 ARG 134 NH1 -0.0024 0.0002 0.0010 3086 ARG 134 NH2 -0.0022 -0.0004 0.0007 3087 ARG 134 H -0.0032 -0.0014 0.0014 3088 ARG 134 HA -0.0034 -0.0007 0.0017 3089 ARG 134 HB3 -0.0028 -0.0009 0.0011 3090 ARG 134 HB2 -0.0029 -0.0009 0.0012 3091 ARG 134 HG3 -0.0029 -0.0002 0.0014 3092 ARG 134 HG2 -0.0029 -0.0001 0.0014 3093 ARG 134 HD3 -0.0024 0.0001 0.0010 3094 ARG 134 HD2 -0.0023 -0.0003 0.0009 3095 ARG 134 HH22 -0.0020 -0.0003 0.0006 3096 ARG 134 HH21 -0.0022 -0.0007 0.0007 3097 ARG 134 HH12 -0.0023 0.0004 0.0009 3098 ARG 134 HH11 -0.0025 0.0003 0.0011 3099 ARG 134 HE -0.0023 -0.0006 0.0008 3100 LEU 135 N -0.0034 -0.0003 0.0018 3101 LEU 135 CA -0.0034 -0.0001 0.0018 3102 LEU 135 C -0.0031 0.0001 0.0016 3103 LEU 135 O -0.0029 0.0002 0.0014 3104 LEU 135 CB -0.0036 0.0003 0.0020 3105 LEU 135 CG -0.0039 0.0003 0.0023 3106 LEU 135 CD1 -0.0040 0.0006 0.0024 3107 LEU 135 CD2 -0.0041 0.0002 0.0024 3108 LEU 135 H -0.0035 -0.0002 0.0018 3109 LEU 135 HA -0.0036 -0.0002 0.0019 3110 LEU 135 HB3 -0.0035 0.0005 0.0020 3111 LEU 135 HB2 -0.0035 0.0004 0.0019 3112 LEU 135 HG -0.0040 0.0000 0.0023 3113 LEU 135 HD11 -0.0043 0.0006 0.0026 3114 LEU 135 HD12 -0.0039 0.0008 0.0023 3115 LEU 135 HD13 -0.0040 0.0009 0.0024 3116 LEU 135 HD21 -0.0043 0.0001 0.0026 3117 LEU 135 HD22 -0.0041 0.0004 0.0024 3118 LEU 135 HD23 -0.0040 -0.0001 0.0023 3119 GLU 136 N -0.0026 0.0015 0.0011 3120 GLU 136 CA -0.0010 0.0021 0.0001 3121 GLU 136 C -0.0006 0.0034 0.0008 3122 GLU 136 O -0.0013 0.0030 0.0012 3123 GLU 136 CB -0.0006 0.0008 -0.0014 3124 GLU 136 CG 0.0008 0.0010 -0.0025 3125 GLU 136 CD 0.0012 -0.0004 -0.0040 3126 GLU 136 OE1 0.0014 -0.0007 -0.0045 3127 GLU 136 OE2 0.0014 -0.0010 -0.0047 3128 GLU 136 H -0.0032 0.0010 0.0012 3129 GLU 136 HA -0.0005 0.0027 0.0001 3130 GLU 136 HB3 -0.0004 0.0007 -0.0016 3131 GLU 136 HB2 -0.0015 -0.0003 -0.0015 3132 GLU 136 HG3 0.0006 0.0011 -0.0022 3133 GLU 136 HG2 0.0017 0.0021 -0.0024 3134 LYS 137 N 0.0006 0.0047 0.0008 3135 LYS 137 CA 0.0013 0.0059 0.0012 3136 LYS 137 C 0.0026 0.0057 -0.0002 3137 LYS 137 O 0.0036 0.0057 -0.0011 3138 LYS 137 CB 0.0018 0.0076 0.0021 3139 LYS 137 CG 0.0020 0.0087 0.0030 3140 LYS 137 CD 0.0033 0.0104 0.0032 3141 LYS 137 CE 0.0030 0.0114 0.0042 3142 LYS 137 NZ 0.0043 0.0129 0.0043 3143 LYS 137 H 0.0012 0.0049 0.0004 3144 LYS 137 HA 0.0004 0.0057 0.0018 3145 LYS 137 HB3 0.0028 0.0079 0.0015 3146 LYS 137 HB2 0.0010 0.0076 0.0029 3147 LYS 137 HG3 0.0009 0.0088 0.0040 3148 LYS 137 HG2 0.0022 0.0083 0.0024 3149 LYS 137 HD3 0.0034 0.0109 0.0035 3150 LYS 137 HD2 0.0043 0.0103 0.0021 3151 LYS 137 HE3 0.0028 0.0108 0.0039 3152 LYS 137 HE2 0.0020 0.0116 0.0053 3153 LYS 137 HZ1 0.0045 0.0134 0.0046 3154 LYS 137 HZ2 0.0042 0.0137 0.0051 3155 LYS 137 HZ3 0.0053 0.0129 0.0034 3156 ILE 138 N 0.0025 0.0052 0.0004 3157 ILE 138 CA 0.0038 0.0046 -0.0005 3158 ILE 138 C 0.0040 0.0054 -0.0001 3159 ILE 138 O 0.0031 0.0061 0.0008 3160 ILE 138 CB 0.0033 0.0029 -0.0013 3161 ILE 138 CG1 0.0017 0.0023 -0.0010 3162 ILE 138 CG2 0.0033 0.0021 -0.0018 3163 ILE 138 CD1 0.0015 0.0007 -0.0019 3164 ILE 138 H 0.0015 0.0053 0.0009 3165 ILE 138 HA 0.0049 0.0049 -0.0008 3166 ILE 138 HB 0.0043 0.0026 -0.0020 3167 ILE 138 HG13 0.0017 0.0030 -0.0006 3168 ILE 138 HG12 0.0007 0.0025 -0.0004 3169 ILE 138 HG21 0.0031 0.0009 -0.0025 3170 ILE 138 HG22 0.0044 0.0024 -0.0021 3171 ILE 138 HG23 0.0023 0.0023 -0.0013 3172 ILE 138 HD11 0.0005 0.0004 -0.0016 3173 ILE 138 HD12 0.0025 0.0004 -0.0025 3174 ILE 138 HD13 0.0012 -0.0001 -0.0023 3175 LEU 139 N 0.0054 0.0052 -0.0008 3176 LEU 139 CA 0.0058 0.0058 -0.0006 3177 LEU 139 C 0.0056 0.0044 -0.0014 3178 LEU 139 O 0.0062 0.0034 -0.0023 3179 LEU 139 CB 0.0076 0.0067 -0.0009 3180 LEU 139 CG 0.0082 0.0077 -0.0005 3181 LEU 139 CD1 0.0073 0.0090 0.0007 3182 LEU 139 CD2 0.0100 0.0083 -0.0009 3183 LEU 139 H 0.0060 0.0045 -0.0015 3184 LEU 139 HA 0.0051 0.0065 0.0002 3185 LEU 139 HB3 0.0084 0.0059 -0.0017 3186 LEU 139 HB2 0.0078 0.0073 -0.0005 3187 LEU 139 HG 0.0080 0.0070 -0.0008 3188 LEU 139 HD11 0.0081 0.0101 0.0010 3189 LEU 139 HD12 0.0064 0.0088 0.0010 3190 LEU 139 HD13 0.0067 0.0091 0.0011 3191 LEU 139 HD21 0.0105 0.0091 -0.0006 3192 LEU 139 HD22 0.0103 0.0089 -0.0007 3193 LEU 139 HD23 0.0107 0.0074 -0.0017 3194 VAL 140 N 0.0039 0.0037 0.0006 3195 VAL 140 CA 0.0038 0.0032 0.0002 3196 VAL 140 C 0.0040 0.0032 0.0003 3197 VAL 140 O 0.0039 0.0037 0.0006 3198 VAL 140 CB 0.0031 0.0030 0.0002 3199 VAL 140 CG1 0.0029 0.0028 0.0001 3200 VAL 140 CG2 0.0026 0.0034 0.0006 3201 VAL 140 H 0.0038 0.0040 0.0009 3202 VAL 140 HA 0.0041 0.0029 -0.0000 3203 VAL 140 HB 0.0030 0.0026 -0.0001 3204 VAL 140 HG11 0.0024 0.0026 0.0000 3205 VAL 140 HG12 0.0032 0.0025 -0.0002 3206 VAL 140 HG13 0.0029 0.0032 0.0003 3207 VAL 140 HG21 0.0021 0.0033 0.0005 3208 VAL 140 HG22 0.0027 0.0038 0.0008 3209 VAL 140 HG23 0.0026 0.0035 0.0006 3210 SER 141 N 0.0043 0.0028 -0.0001 3211 SER 141 CA 0.0044 0.0028 -0.0001 3212 SER 141 C 0.0038 0.0026 -0.0002 3213 SER 141 O 0.0036 0.0021 -0.0005 3214 SER 141 CB 0.0050 0.0024 -0.0005 3215 SER 141 OG 0.0055 0.0026 -0.0004 3216 SER 141 H 0.0043 0.0025 -0.0003 3217 SER 141 HA 0.0046 0.0032 0.0001 3218 SER 141 HB3 0.0051 0.0024 -0.0006 3219 SER 141 HB2 0.0048 0.0020 -0.0008 3220 SER 141 HG 0.0055 0.0025 -0.0005 3221 VAL 142 N 0.0037 0.0026 -0.0005 3222 VAL 142 CA 0.0033 0.0026 -0.0006 3223 VAL 142 C 0.0033 0.0023 -0.0008 3224 VAL 142 O 0.0029 0.0022 -0.0009 3225 VAL 142 CB 0.0030 0.0030 -0.0004 3226 VAL 142 CG1 0.0028 0.0033 -0.0003 3227 VAL 142 CG2 0.0033 0.0033 -0.0002 3228 VAL 142 H 0.0039 0.0029 -0.0003 3229 VAL 142 HA 0.0030 0.0024 -0.0008 3230 VAL 142 HB 0.0027 0.0029 -0.0005 3231 VAL 142 HG11 0.0026 0.0036 -0.0002 3232 VAL 142 HG12 0.0026 0.0031 -0.0004 3233 VAL 142 HG13 0.0031 0.0034 -0.0002 3234 VAL 142 HG21 0.0030 0.0036 -0.0001 3235 VAL 142 HG22 0.0036 0.0034 -0.0001 3236 VAL 142 HG23 0.0033 0.0031 -0.0003 3237 GLY 143 N 0.0037 0.0022 -0.0008 3238 GLY 143 CA 0.0038 0.0019 -0.0009 3239 GLY 143 C 0.0043 0.0020 -0.0008 3240 GLY 143 O 0.0045 0.0022 -0.0006 3241 GLY 143 H 0.0040 0.0023 -0.0007 3242 GLY 143 HA3 0.0035 0.0020 -0.0009 3243 GLY 143 HA2 0.0038 0.0016 -0.0011 3244 CYS 144 N 0.0050 0.0025 0.0006 3245 CYS 144 CA 0.0047 0.0023 0.0005 3246 CYS 144 C 0.0040 0.0023 0.0001 3247 CYS 144 O 0.0038 0.0022 0.0001 3248 CYS 144 CB 0.0047 0.0020 0.0012 3249 CYS 144 SG 0.0055 0.0020 0.0017 3250 CYS 144 H 0.0048 0.0023 0.0007 3251 CYS 144 HA 0.0050 0.0026 0.0003 3252 CYS 144 HB3 0.0044 0.0019 0.0012 3253 CYS 144 HB2 0.0044 0.0018 0.0014 3254 THR 145 N 0.0038 0.0023 -0.0001 3255 THR 145 CA 0.0032 0.0023 -0.0005 3256 THR 145 C 0.0029 0.0020 -0.0003 3257 THR 145 O 0.0032 0.0020 -0.0000 3258 THR 145 CB 0.0032 0.0026 -0.0012 3259 THR 145 OG1 0.0026 0.0026 -0.0016 3260 THR 145 CG2 0.0035 0.0029 -0.0014 3261 THR 145 H 0.0041 0.0024 -0.0000 3262 THR 145 HA 0.0029 0.0021 -0.0004 3263 THR 145 HB 0.0035 0.0028 -0.0013 3264 THR 145 HG1 0.0026 0.0026 -0.0017 3265 THR 145 HG21 0.0036 0.0031 -0.0019 3266 THR 145 HG22 0.0040 0.0029 -0.0012 3267 THR 145 HG23 0.0032 0.0027 -0.0014 3268 CYS 146 N 0.0037 0.0020 -0.0007 3269 CYS 146 CA 0.0027 0.0019 -0.0006 3270 CYS 146 C 0.0023 0.0021 -0.0019 3271 CYS 146 O 0.0020 0.0022 -0.0027 3272 CYS 146 CB 0.0016 0.0017 0.0000 3273 CYS 146 SG 0.0003 0.0015 0.0004 3274 CYS 146 H 0.0034 0.0021 -0.0009 3275 CYS 146 HA 0.0030 0.0018 0.0000 3276 CYS 146 HB3 0.0012 0.0017 -0.0005 3277 CYS 146 HB2 0.0019 0.0015 0.0009 3278 VAL 147 N 0.0024 0.0022 -0.0021 3279 VAL 147 CA 0.0020 0.0024 -0.0032 3280 VAL 147 C 0.0010 0.0022 -0.0030 3281 VAL 147 O 0.0010 0.0020 -0.0020 3282 VAL 147 CB 0.0031 0.0026 -0.0038 3283 VAL 147 CG1 0.0042 0.0028 -0.0043 3284 VAL 147 CG2 0.0037 0.0025 -0.0031 3285 VAL 147 H 0.0026 0.0021 -0.0014 3286 VAL 147 HA 0.0016 0.0024 -0.0039 3287 VAL 147 HB 0.0028 0.0027 -0.0047 3288 VAL 147 HG11 0.0049 0.0030 -0.0047 3289 VAL 147 HG12 0.0038 0.0029 -0.0050 3290 VAL 147 HG13 0.0046 0.0027 -0.0035 3291 VAL 147 HG21 0.0046 0.0027 -0.0035 3292 VAL 147 HG22 0.0040 0.0024 -0.0021 3293 VAL 147 HG23 0.0031 0.0024 -0.0029 3294 THR 148 N 0.0019 0.0005 -0.0030 3295 THR 148 CA -0.0024 0.0000 -0.0034 3296 THR 148 C -0.0023 -0.0003 -0.0042 3297 THR 148 O 0.0005 -0.0012 -0.0065 3298 THR 148 CB -0.0043 -0.0017 -0.0069 3299 THR 148 OG1 -0.0018 -0.0031 -0.0103 3300 THR 148 CG2 -0.0048 -0.0014 -0.0063 3301 THR 148 H 0.0032 -0.0005 -0.0054 3302 THR 148 HA -0.0041 0.0011 -0.0008 3303 THR 148 HB -0.0074 -0.0021 -0.0074 3304 THR 148 HG1 -0.0018 -0.0034 -0.0109 3305 THR 148 HG21 -0.0062 -0.0026 -0.0087 3306 THR 148 HG22 -0.0069 -0.0004 -0.0038 3307 THR 148 HG23 -0.0018 -0.0010 -0.0058 3308 PRO 149 N -0.0050 0.0004 -0.0023 3309 PRO 149 CA -0.0051 0.0001 -0.0029 3310 PRO 149 C -0.0064 -0.0018 -0.0070 3311 PRO 149 O -0.0087 -0.0028 -0.0088 3312 PRO 149 CB -0.0084 0.0013 0.0001 3313 PRO 149 CG -0.0112 0.0015 0.0010 3314 PRO 149 CD -0.0082 0.0015 0.0006 3315 PRO 149 HA -0.0021 0.0005 -0.0023 3316 PRO 149 HB3 -0.0067 0.0026 0.0027 3317 PRO 149 HB2 -0.0101 0.0008 -0.0007 3318 PRO 149 HG3 -0.0127 0.0027 0.0038 3319 PRO 149 HG2 -0.0136 0.0004 -0.0012 3320 PRO 149 HD2 -0.0099 0.0011 -0.0002 3321 PRO 149 HD3 -0.0066 0.0028 0.0033 3322 VAL 151 N -0.0448 -0.0292 -0.0304 3323 VAL 151 CA -0.0582 -0.0369 -0.0153 3324 VAL 151 C -0.0544 -0.0282 -0.0433 3325 VAL 151 O -0.0613 -0.0212 -0.0757 3326 VAL 151 CB -0.0990 -0.0497 -0.0077 3327 VAL 151 CG1 -0.1170 -0.0581 0.0059 3328 VAL 151 CG2 -0.1045 -0.0585 0.0191 3329 VAL 151 H -0.0607 -0.0278 -0.0510 3330 VAL 151 HA -0.0426 -0.0396 0.0098 3331 VAL 151 HB -0.1141 -0.0467 -0.0332 3332 VAL 151 HG11 -0.1449 -0.0673 0.0127 3333 VAL 151 HG12 -0.1186 -0.0530 -0.0145 3334 VAL 151 HG13 -0.1024 -0.0609 0.0302 3335 VAL 151 HG21 -0.1330 -0.0674 0.0245 3336 VAL 151 HG22 -0.0893 -0.0616 0.0450 3337 VAL 151 HG23 -0.0956 -0.0533 0.0087 3338 HIS 152 N -0.0437 -0.0289 -0.0304 3339 HIS 152 CA -0.0413 -0.0225 -0.0517 3340 HIS 152 C -0.0400 -0.0293 -0.0254 3341 HIS 152 O -0.0304 -0.0356 0.0068 3342 HIS 152 CB -0.0083 -0.0073 -0.0754 3343 HIS 152 CG 0.0285 -0.0029 -0.0561 3344 HIS 152 ND1 0.0387 -0.0042 -0.0415 3345 HIS 152 CD2 0.0580 0.0030 -0.0493 3346 HIS 152 CE1 0.0725 0.0006 -0.0267 3347 HIS 152 NE2 0.0860 0.0052 -0.0306 3348 HIS 152 H -0.0382 -0.0348 -0.0035 3349 HIS 152 HA -0.0662 -0.0242 -0.0693 3350 HIS 152 HB3 -0.0125 -0.0027 -0.0962 3351 HIS 152 HB2 -0.0069 -0.0028 -0.0903 3352 HIS 152 HD1 0.0231 -0.0083 -0.0416 3353 HIS 152 HD2 0.0614 0.0059 -0.0566 3354 HIS 152 HE1 0.0875 0.0009 -0.0133 3355 HIS 153 N -0.0214 -0.0310 -0.0408 3356 HIS 153 CA -0.0019 -0.0357 -0.0364 3357 HIS 153 C 0.0055 -0.0208 -0.0323 3358 HIS 153 O 0.0001 -0.0043 -0.0314 3359 HIS 153 CB 0.0068 -0.0347 -0.0340 3360 HIS 153 CG 0.0255 -0.0445 -0.0305 3361 HIS 153 ND1 0.0411 -0.0400 -0.0258 3362 HIS 153 CD2 0.0311 -0.0587 -0.0310 3363 HIS 153 CE1 0.0547 -0.0515 -0.0238 3364 HIS 153 NE2 0.0497 -0.0633 -0.0268 3365 HIS 153 H -0.0241 -0.0180 -0.0397 3366 HIS 153 HA 0.0003 -0.0498 -0.0378 3367 HIS 153 HB3 0.0080 -0.0202 -0.0316 3368 HIS 153 HB2 -0.0022 -0.0411 -0.0372 3369 HIS 153 HD1 0.0427 -0.0300 -0.0239 3370 HIS 153 HD2 0.0233 -0.0660 -0.0341 3371 HIS 153 HE1 0.0684 -0.0511 -0.0202 3372 ALA 155 N -0.0032 -0.0175 0.0066 3373 ALA 155 CA -0.0034 -0.0236 0.0255 3374 ALA 155 C -0.0143 -0.0147 0.0299 3375 ALA 155 O -0.0260 -0.0015 0.0235 3376 ALA 155 CB -0.0077 -0.0249 0.0416 3377 ALA 155 OXT -0.0107 -0.0217 0.0408 3378 ALA 155 H -0.0121 -0.0091 0.0068 3379 ALA 155 HA 0.0077 -0.0343 0.0259 3380 ALA 155 HB1 -0.0076 -0.0296 0.0558 3381 ALA 155 HB2 -0.0000 -0.0314 0.0394 3382 ALA 155 HB3 -0.0188 -0.0145 0.0421 3383 ILE 150 N -0.0088 -0.0076 -0.0171 3384 ILE 150 CA -0.0079 -0.0026 -0.0290 3385 ILE 150 C -0.0094 -0.0044 -0.0246 3386 ILE 150 O -0.0002 -0.0071 -0.0173 3387 ILE 150 CB 0.0065 0.0011 -0.0362 3388 ILE 150 CG1 0.0071 0.0036 -0.0422 3389 ILE 150 CG2 0.0095 0.0057 -0.0468 3390 ILE 150 CD1 0.0217 0.0065 -0.0475 3391 ILE 150 H -0.0003 -0.0097 -0.0110 3392 ILE 150 HA -0.0166 -0.0001 -0.0359 3393 ILE 150 HB 0.0150 -0.0016 -0.0288 3394 ILE 150 HG13 0.0040 0.0005 -0.0350 3395 ILE 150 HG12 -0.0008 0.0066 -0.0502 3396 ILE 150 HG21 0.0101 0.0040 -0.0428 3397 ILE 150 HG22 0.0012 0.0085 -0.0545 3398 ILE 150 HG23 0.0197 0.0081 -0.0515 3399 ILE 150 HD11 0.0220 0.0077 -0.0505 3400 ILE 150 HD12 0.0302 0.0038 -0.0403 3401 ILE 150 HD13 0.0241 0.0103 -0.0563 3402 VAL 154 N 0.0107 -0.0197 -0.0283 3403 VAL 154 CA 0.0033 -0.0140 -0.0192 3404 VAL 154 C 0.0055 -0.0187 -0.0078 3405 VAL 154 O 0.0118 -0.0251 -0.0085 3406 VAL 154 CB -0.0042 -0.0052 -0.0238 3407 VAL 154 CG1 -0.0124 0.0015 -0.0149 3408 VAL 154 CG2 -0.0063 -0.0006 -0.0351 3409 VAL 154 H 0.0119 -0.0202 -0.0319 3410 VAL 154 HA 0.0016 -0.0126 -0.0171 3411 VAL 154 HB -0.0023 -0.0066 -0.0262 3412 VAL 154 HG11 -0.0119 -0.0006 -0.0077 3413 VAL 154 HG12 -0.0143 0.0026 -0.0112 3414 VAL 154 HG13 -0.0175 0.0078 -0.0192 3415 VAL 154 HG21 -0.0008 -0.0047 -0.0421 3416 VAL 154 HG22 -0.0111 0.0053 -0.0388 3417 VAL 154 HG23 -0.0085 0.0014 -0.0331 3418 ASN 40 N -0.0093 -0.0084 -0.0343 3419 ASN 40 CA -0.0043 -0.0059 -0.0303 3420 ASN 40 C -0.0060 -0.0072 -0.0233 3421 ASN 40 O -0.0075 -0.0082 -0.0207 3422 ASN 40 CB 0.0001 -0.0033 -0.0313 3423 ASN 40 CG 0.0033 -0.0012 -0.0373 3424 ASN 40 OD1 0.0035 -0.0009 -0.0401 3425 ASN 40 ND2 0.0060 0.0004 -0.0393 3426 ASN 40 H1 -0.0083 -0.0076 -0.0388 3427 ASN 40 H2 -0.0121 -0.0100 -0.0339 3428 ASN 40 HA -0.0027 -0.0049 -0.0314 3429 ASN 40 HB2 -0.0018 -0.0044 -0.0313 3430 ASN 40 HB3 0.0031 -0.0019 -0.0275 3431 ASN 40 HD22 0.0081 0.0018 -0.0433 3432 ASN 40 HD21 0.0057 0.0001 -0.0371 3433 ASP 65 N 0.0013 0.0005 0.0029 3434 ASP 65 CA 0.0013 0.0006 0.0029 3435 ASP 65 C 0.0012 0.0011 0.0024 3436 ASP 65 O 0.0010 0.0012 0.0023 3437 ASP 65 CB 0.0008 0.0006 0.0034 3438 ASP 65 CG 0.0008 0.0001 0.0039 3439 ASP 65 OD1 0.0012 -0.0003 0.0039 3440 ASP 65 OD2 0.0004 0.0001 0.0044 3441 ASP 65 H 0.0011 0.0003 0.0033 3442 ASP 65 HA 0.0016 0.0003 0.0028 3443 ASP 65 HB2 0.0004 0.0009 0.0034 3444 ASP 65 HB3 0.0007 0.0007 0.0033