1 PRO 42 N 0.0061 0.0106 -0.0020 2 PRO 42 CA 0.0069 0.0099 -0.0025 3 PRO 42 C 0.0073 0.0090 -0.0030 4 PRO 42 O 0.0067 0.0085 -0.0030 5 PRO 42 CB 0.0061 0.0094 -0.0025 6 PRO 42 CG 0.0049 0.0093 -0.0022 7 PRO 42 CD 0.0049 0.0103 -0.0017 8 PRO 42 H 0.0063 0.0115 -0.0017 9 PRO 42 HA 0.0076 0.0104 -0.0025 10 PRO 42 HB3 0.0062 0.0099 -0.0023 11 PRO 42 HB2 0.0064 0.0086 -0.0029 12 PRO 42 HG3 0.0042 0.0092 -0.0020 13 PRO 42 HG2 0.0047 0.0085 -0.0024 14 PRO 42 HD2 0.0044 0.0101 -0.0017 15 PRO 42 HD3 0.0045 0.0110 -0.0014 16 ARG 43 N 0.0084 0.0088 -0.0034 17 ARG 43 CA 0.0090 0.0080 -0.0039 18 ARG 43 C 0.0084 0.0067 -0.0042 19 ARG 43 O 0.0081 0.0062 -0.0044 20 ARG 43 CB 0.0103 0.0080 -0.0043 21 ARG 43 CG 0.0109 0.0073 -0.0048 22 ARG 43 CD 0.0122 0.0072 -0.0052 23 ARG 43 NE 0.0123 0.0064 -0.0055 24 ARG 43 CZ 0.0131 0.0057 -0.0060 25 ARG 43 NH1 0.0140 0.0056 -0.0063 26 ARG 43 NH2 0.0129 0.0050 -0.0062 27 ARG 43 H 0.0089 0.0092 -0.0034 28 ARG 43 HA 0.0089 0.0082 -0.0038 29 ARG 43 HB3 0.0104 0.0078 -0.0044 30 ARG 43 HB2 0.0107 0.0089 -0.0040 31 ARG 43 HG3 0.0109 0.0075 -0.0046 32 ARG 43 HG2 0.0105 0.0064 -0.0050 33 ARG 43 HD3 0.0126 0.0080 -0.0049 34 ARG 43 HD2 0.0127 0.0069 -0.0054 35 ARG 43 HH22 0.0135 0.0045 -0.0066 36 ARG 43 HH21 0.0122 0.0050 -0.0060 37 ARG 43 HH12 0.0145 0.0049 -0.0067 38 ARG 43 HH11 0.0142 0.0061 -0.0062 39 ARG 43 HE 0.0116 0.0064 -0.0053 40 THR 44 N 0.0036 0.0024 -0.0023 41 THR 44 CA 0.0036 0.0017 -0.0003 42 THR 44 C 0.0028 0.0017 0.0010 43 THR 44 O 0.0015 0.0028 0.0008 44 THR 44 CB 0.0026 0.0022 0.0003 45 THR 44 OG1 0.0033 0.0022 -0.0010 46 THR 44 CG2 0.0026 0.0014 0.0023 47 THR 44 H 0.0025 0.0034 -0.0026 48 THR 44 HA 0.0049 0.0007 -0.0001 49 THR 44 HB 0.0013 0.0032 0.0001 50 THR 44 HG1 0.0043 0.0013 -0.0007 51 THR 44 HG21 0.0019 0.0018 0.0026 52 THR 44 HG22 0.0019 0.0015 0.0034 53 THR 44 HG23 0.0038 0.0004 0.0026 54 VAL 45 N 0.0037 0.0006 0.0022 55 VAL 45 CA 0.0032 0.0005 0.0035 56 VAL 45 C 0.0033 -0.0003 0.0055 57 VAL 45 O 0.0041 -0.0010 0.0057 58 VAL 45 CB 0.0043 -0.0001 0.0029 59 VAL 45 CG1 0.0042 0.0008 0.0009 60 VAL 45 CG2 0.0061 -0.0015 0.0032 61 VAL 45 H 0.0048 -0.0002 0.0022 62 VAL 45 HA 0.0019 0.0015 0.0035 63 VAL 45 HB 0.0038 -0.0000 0.0039 64 VAL 45 HG11 0.0047 0.0005 0.0006 65 VAL 45 HG12 0.0029 0.0018 0.0008 66 VAL 45 HG13 0.0049 0.0007 -0.0002 67 VAL 45 HG21 0.0068 -0.0018 0.0027 68 VAL 45 HG22 0.0067 -0.0016 0.0023 69 VAL 45 HG23 0.0062 -0.0021 0.0046 70 MET 46 N 0.0002 -0.0034 0.0050 71 MET 46 CA 0.0003 -0.0039 0.0061 72 MET 46 C 0.0011 -0.0043 0.0064 73 MET 46 O 0.0010 -0.0041 0.0059 74 MET 46 CB -0.0009 -0.0036 0.0068 75 MET 46 CG -0.0016 -0.0032 0.0069 76 MET 46 SD -0.0029 -0.0030 0.0077 77 MET 46 CE -0.0035 -0.0023 0.0067 78 MET 46 H -0.0002 -0.0030 0.0047 79 MET 46 HA 0.0005 -0.0041 0.0064 80 MET 46 HB3 -0.0008 -0.0040 0.0076 81 MET 46 HB2 -0.0012 -0.0033 0.0064 82 MET 46 HG3 -0.0018 -0.0029 0.0060 83 MET 46 HG2 -0.0013 -0.0036 0.0072 84 MET 46 HE1 -0.0044 -0.0020 0.0071 85 MET 46 HE2 -0.0035 -0.0020 0.0060 86 MET 46 HE3 -0.0031 -0.0024 0.0066 87 VAL 47 N 0.0017 -0.0049 0.0071 88 VAL 47 CA 0.0024 -0.0054 0.0074 89 VAL 47 C 0.0022 -0.0058 0.0087 90 VAL 47 O 0.0022 -0.0060 0.0092 91 VAL 47 CB 0.0036 -0.0058 0.0071 92 VAL 47 CG1 0.0044 -0.0064 0.0075 93 VAL 47 CG2 0.0039 -0.0054 0.0058 94 VAL 47 H 0.0017 -0.0050 0.0074 95 VAL 47 HA 0.0023 -0.0052 0.0071 96 VAL 47 HB 0.0038 -0.0060 0.0074 97 VAL 47 HG11 0.0053 -0.0066 0.0072 98 VAL 47 HG12 0.0044 -0.0067 0.0084 99 VAL 47 HG13 0.0043 -0.0062 0.0073 100 VAL 47 HG21 0.0047 -0.0057 0.0055 101 VAL 47 HG22 0.0036 -0.0052 0.0054 102 VAL 47 HG23 0.0035 -0.0051 0.0055 103 ASN 48 N 0.0007 -0.0109 0.0075 104 ASN 48 CA 0.0019 -0.0089 0.0068 105 ASN 48 C 0.0008 -0.0081 0.0066 106 ASN 48 O 0.0008 -0.0094 0.0070 107 ASN 48 CB 0.0046 -0.0094 0.0069 108 ASN 48 CG 0.0062 -0.0073 0.0063 109 ASN 48 OD1 0.0055 -0.0055 0.0057 110 ASN 48 ND2 0.0085 -0.0076 0.0064 111 ASN 48 H 0.0014 -0.0125 0.0079 112 ASN 48 HA 0.0017 -0.0075 0.0064 113 ASN 48 HB3 0.0049 -0.0105 0.0073 114 ASN 48 HB2 0.0052 -0.0104 0.0072 115 ASN 48 HD22 0.0096 -0.0063 0.0059 116 ASN 48 HD21 0.0091 -0.0092 0.0068 117 LEU 49 N -0.0003 -0.0060 0.0060 118 LEU 49 CA -0.0016 -0.0051 0.0058 119 LEU 49 C -0.0001 -0.0041 0.0054 120 LEU 49 O -0.0010 -0.0036 0.0053 121 LEU 49 CB -0.0034 -0.0033 0.0052 122 LEU 49 CG -0.0055 -0.0041 0.0055 123 LEU 49 CD1 -0.0073 -0.0022 0.0050 124 LEU 49 CD2 -0.0068 -0.0062 0.0062 125 LEU 49 H -0.0001 -0.0050 0.0057 126 LEU 49 HA -0.0026 -0.0065 0.0062 127 LEU 49 HB3 -0.0042 -0.0024 0.0050 128 LEU 49 HB2 -0.0025 -0.0019 0.0048 129 LEU 49 HG -0.0048 -0.0047 0.0057 130 LEU 49 HD11 -0.0091 -0.0028 0.0052 131 LEU 49 HD12 -0.0068 -0.0011 0.0047 132 LEU 49 HD13 -0.0075 -0.0010 0.0046 133 LEU 49 HD21 -0.0086 -0.0065 0.0063 134 LEU 49 HD22 -0.0071 -0.0059 0.0061 135 LEU 49 HD23 -0.0058 -0.0077 0.0066 136 ASN 50 N 0.0031 -0.0071 0.0020 137 ASN 50 CA 0.0044 -0.0067 0.0023 138 ASN 50 C 0.0054 -0.0078 0.0019 139 ASN 50 O 0.0060 -0.0083 0.0016 140 ASN 50 CB 0.0048 -0.0061 0.0027 141 ASN 50 CG 0.0042 -0.0048 0.0033 142 ASN 50 OD1 0.0037 -0.0042 0.0036 143 ASN 50 ND2 0.0042 -0.0044 0.0036 144 ASN 50 H 0.0027 -0.0072 0.0018 145 ASN 50 HA 0.0044 -0.0061 0.0027 146 ASN 50 HB3 0.0059 -0.0060 0.0029 147 ASN 50 HB2 0.0046 -0.0066 0.0024 148 ASN 50 HD22 0.0038 -0.0035 0.0040 149 ASN 50 HD21 0.0046 -0.0048 0.0034 150 ILE 51 N 0.0055 -0.0080 0.0018 151 ILE 51 CA 0.0063 -0.0090 0.0013 152 ILE 51 C 0.0078 -0.0092 0.0014 153 ILE 51 O 0.0085 -0.0083 0.0019 154 ILE 51 CB 0.0063 -0.0090 0.0013 155 ILE 51 CG1 0.0049 -0.0089 0.0012 156 ILE 51 CG2 0.0072 -0.0100 0.0009 157 ILE 51 CD1 0.0049 -0.0084 0.0015 158 ILE 51 H 0.0050 -0.0075 0.0020 159 ILE 51 HA 0.0058 -0.0098 0.0008 160 ILE 51 HB 0.0068 -0.0081 0.0018 161 ILE 51 HG13 0.0042 -0.0083 0.0014 162 ILE 51 HG12 0.0045 -0.0098 0.0007 163 ILE 51 HG21 0.0071 -0.0099 0.0009 164 ILE 51 HG22 0.0083 -0.0099 0.0010 165 ILE 51 HG23 0.0069 -0.0108 0.0004 166 ILE 51 HD11 0.0039 -0.0085 0.0013 167 ILE 51 HD12 0.0050 -0.0074 0.0020 168 ILE 51 HD13 0.0056 -0.0088 0.0013 169 HIS 52 N 0.0071 -0.0085 -0.0040 170 HIS 52 CA 0.0067 -0.0082 -0.0044 171 HIS 52 C 0.0049 -0.0075 -0.0035 172 HIS 52 O 0.0044 -0.0076 -0.0020 173 HIS 52 CB 0.0081 -0.0091 -0.0037 174 HIS 52 CG 0.0098 -0.0097 -0.0049 175 HIS 52 ND1 0.0101 -0.0095 -0.0064 176 HIS 52 CD2 0.0112 -0.0104 -0.0048 177 HIS 52 CE1 0.0117 -0.0102 -0.0072 178 HIS 52 NE2 0.0124 -0.0107 -0.0063 179 HIS 52 H 0.0071 -0.0088 -0.0026 180 HIS 52 HA 0.0067 -0.0079 -0.0059 181 HIS 52 HB3 0.0076 -0.0089 -0.0036 182 HIS 52 HB2 0.0083 -0.0095 -0.0023 183 HIS 52 HD1 0.0094 -0.0090 -0.0069 184 HIS 52 HD2 0.0114 -0.0108 -0.0038 185 HIS 52 HE1 0.0123 -0.0102 -0.0085 186 ASN 53 N 0.0040 -0.0067 -0.0046 187 ASN 53 CA 0.0022 -0.0060 -0.0039 188 ASN 53 C 0.0024 -0.0063 -0.0030 189 ASN 53 O 0.0032 -0.0065 -0.0040 190 ASN 53 CB 0.0011 -0.0050 -0.0055 191 ASN 53 CG 0.0004 -0.0046 -0.0060 192 ASN 53 OD1 -0.0012 -0.0038 -0.0059 193 ASN 53 ND2 0.0015 -0.0050 -0.0064 194 ASN 53 H 0.0045 -0.0068 -0.0057 195 ASN 53 HA 0.0017 -0.0060 -0.0028 196 ASN 53 HB3 0.0000 -0.0046 -0.0051 197 ASN 53 HB2 0.0018 -0.0051 -0.0068 198 ASN 53 HD22 0.0011 -0.0047 -0.0068 199 ASN 53 HD21 0.0027 -0.0057 -0.0063 200 ARG 54 N 0.0018 -0.0048 -0.0082 201 ARG 54 CA 0.0018 -0.0049 -0.0073 202 ARG 54 C -0.0000 -0.0035 -0.0070 203 ARG 54 O -0.0009 -0.0030 -0.0054 204 ARG 54 CB 0.0027 -0.0058 -0.0053 205 ARG 54 CG 0.0026 -0.0059 -0.0038 206 ARG 54 CD 0.0036 -0.0065 -0.0047 207 ARG 54 NE 0.0054 -0.0079 -0.0049 208 ARG 54 CZ 0.0065 -0.0087 -0.0060 209 ARG 54 NH1 0.0062 -0.0083 -0.0070 210 ARG 54 NH2 0.0081 -0.0099 -0.0061 211 ARG 54 H 0.0013 -0.0045 -0.0072 212 ARG 54 HA 0.0025 -0.0053 -0.0084 213 ARG 54 HB3 0.0022 -0.0055 -0.0044 214 ARG 54 HB2 0.0040 -0.0068 -0.0057 215 ARG 54 HG3 0.0013 -0.0049 -0.0034 216 ARG 54 HG2 0.0031 -0.0064 -0.0024 217 ARG 54 HD3 0.0032 -0.0061 -0.0063 218 ARG 54 HD2 0.0032 -0.0064 -0.0039 219 ARG 54 HH22 0.0091 -0.0106 -0.0069 220 ARG 54 HH21 0.0083 -0.0102 -0.0055 221 ARG 54 HH12 0.0070 -0.0089 -0.0079 222 ARG 54 HH11 0.0050 -0.0074 -0.0069 223 ARG 54 HE 0.0057 -0.0083 -0.0041 224 ASN 55 N -0.0005 -0.0029 -0.0085 225 ASN 55 CA -0.0020 -0.0018 -0.0083 226 ASN 55 C -0.0037 -0.0005 -0.0082 227 ASN 55 O -0.0050 0.0005 -0.0077 228 ASN 55 CB -0.0021 -0.0020 -0.0064 229 ASN 55 CG -0.0006 -0.0031 -0.0063 230 ASN 55 OD1 0.0007 -0.0040 -0.0074 231 ASN 55 ND2 -0.0007 -0.0032 -0.0050 232 ASN 55 H 0.0002 -0.0034 -0.0097 233 ASN 55 HA -0.0020 -0.0016 -0.0097 234 ASN 55 HB3 -0.0032 -0.0011 -0.0064 235 ASN 55 HB2 -0.0022 -0.0020 -0.0049 236 ASN 55 HD22 0.0002 -0.0039 -0.0049 237 ASN 55 HD21 -0.0018 -0.0024 -0.0041 238 THR 56 N -0.0048 -0.0026 -0.0074 239 THR 56 CA -0.0057 -0.0024 -0.0079 240 THR 56 C -0.0061 -0.0022 -0.0083 241 THR 56 O -0.0069 -0.0020 -0.0087 242 THR 56 CB -0.0055 -0.0020 -0.0087 243 THR 56 OG1 -0.0047 -0.0017 -0.0092 244 THR 56 CG2 -0.0052 -0.0022 -0.0083 245 THR 56 H -0.0042 -0.0024 -0.0077 246 THR 56 HA -0.0063 -0.0027 -0.0074 247 THR 56 HB -0.0062 -0.0018 -0.0091 248 THR 56 HG1 -0.0048 -0.0014 -0.0098 249 THR 56 HG21 -0.0050 -0.0019 -0.0088 250 THR 56 HG22 -0.0059 -0.0024 -0.0080 251 THR 56 HG23 -0.0046 -0.0024 -0.0078 252 TYR 66 N -0.0009 0.0012 -0.0014 253 TYR 66 CA -0.0011 0.0006 -0.0021 254 TYR 66 C -0.0017 0.0007 -0.0028 255 TYR 66 O -0.0018 -0.0000 -0.0032 256 TYR 66 CB -0.0013 0.0008 -0.0022 257 TYR 66 CG -0.0008 0.0007 -0.0015 258 TYR 66 CD1 -0.0002 0.0002 -0.0010 259 TYR 66 CD2 -0.0009 0.0012 -0.0015 260 TYR 66 CE1 0.0002 0.0001 -0.0004 261 TYR 66 CE2 -0.0005 0.0011 -0.0010 262 TYR 66 CZ 0.0000 0.0006 -0.0004 263 TYR 66 OH 0.0005 0.0005 0.0001 264 TYR 66 H -0.0009 0.0018 -0.0012 265 TYR 66 HA -0.0009 -0.0000 -0.0019 266 TYR 66 HB3 -0.0015 0.0004 -0.0027 267 TYR 66 HB2 -0.0016 0.0015 -0.0023 268 TYR 66 HD1 -0.0001 -0.0001 -0.0010 269 TYR 66 HD2 -0.0014 0.0016 -0.0019 270 TYR 66 HE1 0.0006 -0.0003 -0.0000 271 TYR 66 HE2 -0.0006 0.0015 -0.0010 272 TYR 66 HH 0.0003 0.0008 0.0001 273 TYR 67 N -0.0020 0.0015 -0.0029 274 TYR 67 CA -0.0025 0.0016 -0.0035 275 TYR 67 C -0.0024 0.0010 -0.0036 276 TYR 67 O -0.0027 0.0008 -0.0042 277 TYR 67 CB -0.0028 0.0026 -0.0035 278 TYR 67 CG -0.0026 0.0030 -0.0030 279 TYR 67 CD1 -0.0020 0.0032 -0.0022 280 TYR 67 CD2 -0.0029 0.0033 -0.0033 281 TYR 67 CE1 -0.0018 0.0036 -0.0018 282 TYR 67 CE2 -0.0027 0.0037 -0.0029 283 TYR 67 CZ -0.0021 0.0038 -0.0021 284 TYR 67 OH -0.0019 0.0042 -0.0017 285 TYR 67 H -0.0019 0.0020 -0.0025 286 TYR 67 HA -0.0028 0.0013 -0.0040 287 TYR 67 HB3 -0.0028 0.0030 -0.0034 288 TYR 67 HB2 -0.0032 0.0026 -0.0041 289 TYR 67 HD1 -0.0018 0.0030 -0.0020 290 TYR 67 HD2 -0.0033 0.0032 -0.0039 291 TYR 67 HE1 -0.0014 0.0037 -0.0012 292 TYR 67 HE2 -0.0029 0.0039 -0.0031 293 TYR 67 HH -0.0022 0.0045 -0.0019 294 ASN 68 N -0.0040 0.0004 -0.0053 295 ASN 68 CA -0.0036 0.0001 -0.0052 296 ASN 68 C -0.0029 -0.0018 -0.0054 297 ASN 68 O -0.0033 -0.0025 -0.0058 298 ASN 68 CB -0.0024 0.0012 -0.0041 299 ASN 68 CG -0.0031 0.0030 -0.0040 300 ASN 68 OD1 -0.0043 0.0034 -0.0046 301 ASN 68 ND2 -0.0023 0.0042 -0.0031 302 ASN 68 H -0.0031 0.0006 -0.0048 303 ASN 68 HA -0.0046 0.0004 -0.0057 304 ASN 68 HB3 -0.0019 0.0007 -0.0040 305 ASN 68 HB2 -0.0015 0.0012 -0.0036 306 ASN 68 HD22 -0.0028 0.0055 -0.0030 307 ASN 68 HD21 -0.0013 0.0040 -0.0026 308 ARG 69 N -0.0018 -0.0024 -0.0049 309 ARG 69 CA -0.0009 -0.0041 -0.0049 310 ARG 69 C -0.0017 -0.0056 -0.0059 311 ARG 69 O -0.0010 -0.0070 -0.0059 312 ARG 69 CB 0.0005 -0.0042 -0.0041 313 ARG 69 CG 0.0016 -0.0029 -0.0030 314 ARG 69 CD 0.0026 -0.0026 -0.0023 315 ARG 69 NE 0.0034 -0.0042 -0.0024 316 ARG 69 CZ 0.0040 -0.0043 -0.0020 317 ARG 69 NH1 0.0047 -0.0059 -0.0021 318 ARG 69 NH2 0.0040 -0.0030 -0.0016 319 ARG 69 H -0.0016 -0.0017 -0.0046 320 ARG 69 HA -0.0005 -0.0043 -0.0047 321 ARG 69 HB3 0.0012 -0.0054 -0.0041 322 ARG 69 HB2 0.0001 -0.0040 -0.0043 323 ARG 69 HG3 0.0009 -0.0017 -0.0031 324 ARG 69 HG2 0.0022 -0.0033 -0.0028 325 ARG 69 HD3 0.0019 -0.0018 -0.0025 326 ARG 69 HD2 0.0035 -0.0019 -0.0016 327 ARG 69 HH22 0.0044 -0.0031 -0.0014 328 ARG 69 HH21 0.0036 -0.0018 -0.0015 329 ARG 69 HH12 0.0051 -0.0060 -0.0019 330 ARG 69 HH11 0.0046 -0.0069 -0.0025 331 ARG 69 HE 0.0035 -0.0052 -0.0026 332 SER 70 N -0.0017 -0.0023 -0.0033 333 SER 70 CA -0.0027 -0.0040 -0.0027 334 SER 70 C -0.0045 -0.0041 -0.0026 335 SER 70 O -0.0054 -0.0027 -0.0030 336 SER 70 CB -0.0030 -0.0041 -0.0026 337 SER 70 OG -0.0042 -0.0055 -0.0021 338 SER 70 H -0.0017 -0.0014 -0.0036 339 SER 70 HA -0.0018 -0.0051 -0.0023 340 SER 70 HB3 -0.0036 -0.0028 -0.0030 341 SER 70 HB2 -0.0017 -0.0043 -0.0026 342 SER 70 HG -0.0035 -0.0065 -0.0018 343 THR 71 N -0.0051 -0.0057 -0.0020 344 THR 71 CA -0.0070 -0.0061 -0.0018 345 THR 71 C -0.0085 -0.0059 -0.0018 346 THR 71 O -0.0102 -0.0058 -0.0018 347 THR 71 CB -0.0070 -0.0081 -0.0011 348 THR 71 OG1 -0.0067 -0.0094 -0.0007 349 THR 71 CG2 -0.0056 -0.0084 -0.0010 350 THR 71 H -0.0043 -0.0068 -0.0016 351 THR 71 HA -0.0073 -0.0052 -0.0021 352 THR 71 HB -0.0084 -0.0083 -0.0010 353 THR 71 HG1 -0.0079 -0.0096 -0.0005 354 THR 71 HG21 -0.0058 -0.0098 -0.0006 355 THR 71 HG22 -0.0059 -0.0075 -0.0013 356 THR 71 HG23 -0.0042 -0.0083 -0.0011 357 SER 72 N -0.0075 -0.0007 0.0021 358 SER 72 CA -0.0075 -0.0007 0.0022 359 SER 72 C -0.0071 -0.0005 0.0017 360 SER 72 O -0.0065 -0.0007 0.0017 361 SER 72 CB -0.0073 -0.0013 0.0028 362 SER 72 OG -0.0067 -0.0016 0.0029 363 SER 72 H -0.0070 -0.0008 0.0020 364 SER 72 HA -0.0081 -0.0005 0.0022 365 SER 72 HB3 -0.0077 -0.0014 0.0032 366 SER 72 HB2 -0.0073 -0.0013 0.0029 367 SER 72 HG -0.0064 -0.0014 0.0025 368 PRO 73 N -0.0072 0.0000 0.0011 369 PRO 73 CA -0.0068 0.0003 0.0005 370 PRO 73 C -0.0067 0.0003 0.0005 371 PRO 73 O -0.0072 0.0003 0.0007 372 PRO 73 CB -0.0071 0.0008 0.0001 373 PRO 73 CG -0.0079 0.0009 0.0003 374 PRO 73 CD -0.0079 0.0004 0.0010 375 PRO 73 HA -0.0062 0.0001 0.0005 376 PRO 73 HB3 -0.0069 0.0008 -0.0000 377 PRO 73 HB2 -0.0070 0.0011 -0.0004 378 PRO 73 HG3 -0.0082 0.0012 0.0001 379 PRO 73 HG2 -0.0081 0.0010 0.0003 380 PRO 73 HD2 -0.0084 0.0003 0.0013 381 PRO 73 HD3 -0.0079 0.0003 0.0011 382 TRP 74 N -0.0023 -0.0009 -0.0000 383 TRP 74 CA -0.0013 -0.0014 -0.0001 384 TRP 74 C -0.0016 -0.0026 -0.0004 385 TRP 74 O -0.0026 -0.0031 -0.0005 386 TRP 74 CB -0.0011 -0.0006 0.0001 387 TRP 74 CG -0.0021 -0.0004 0.0001 388 TRP 74 CD1 -0.0023 -0.0011 -0.0001 389 TRP 74 CD2 -0.0031 0.0005 0.0002 390 TRP 74 NE1 -0.0033 -0.0006 -0.0000 391 TRP 74 CE2 -0.0038 0.0003 0.0001 392 TRP 74 CE3 -0.0034 0.0014 0.0004 393 TRP 74 CZ2 -0.0048 0.0010 0.0003 394 TRP 74 CZ3 -0.0044 0.0021 0.0005 395 TRP 74 CH2 -0.0051 0.0019 0.0004 396 TRP 74 H -0.0031 -0.0011 -0.0001 397 TRP 74 HA -0.0005 -0.0014 -0.0001 398 TRP 74 HB3 -0.0009 0.0003 0.0002 399 TRP 74 HB2 -0.0003 -0.0009 0.0000 400 TRP 74 HD1 -0.0017 -0.0018 -0.0002 401 TRP 74 HE1 -0.0035 -0.0010 -0.0001 402 TRP 74 HE3 -0.0029 0.0015 0.0004 403 TRP 74 HZ2 -0.0053 0.0009 0.0002 404 TRP 74 HZ3 -0.0047 0.0028 0.0006 405 TRP 74 HH2 -0.0059 0.0025 0.0005 406 ASN 75 N -0.0007 -0.0032 -0.0005 407 ASN 75 CA -0.0008 -0.0044 -0.0007 408 ASN 75 C -0.0003 -0.0042 -0.0007 409 ASN 75 O 0.0005 -0.0035 -0.0005 410 ASN 75 CB 0.0000 -0.0053 -0.0009 411 ASN 75 CG -0.0003 -0.0055 -0.0009 412 ASN 75 OD1 -0.0014 -0.0054 -0.0009 413 ASN 75 ND2 0.0005 -0.0058 -0.0010 414 ASN 75 H 0.0001 -0.0028 -0.0004 415 ASN 75 HA -0.0017 -0.0047 -0.0008 416 ASN 75 HB3 -0.0000 -0.0061 -0.0011 417 ASN 75 HB2 0.0010 -0.0050 -0.0008 418 ASN 75 HD22 0.0003 -0.0060 -0.0010 419 ASN 75 HD21 0.0014 -0.0059 -0.0010 420 LEU 76 N -0.0006 -0.0094 0.0053 421 LEU 76 CA -0.0024 -0.0068 0.0049 422 LEU 76 C -0.0007 -0.0087 0.0049 423 LEU 76 O -0.0003 -0.0121 0.0068 424 LEU 76 CB -0.0066 -0.0059 0.0076 425 LEU 76 CG -0.0086 -0.0036 0.0076 426 LEU 76 CD1 -0.0126 -0.0031 0.0105 427 LEU 76 CD2 -0.0081 0.0004 0.0046 428 LEU 76 H -0.0015 -0.0117 0.0075 429 LEU 76 HA -0.0019 -0.0041 0.0027 430 LEU 76 HB3 -0.0077 -0.0042 0.0074 431 LEU 76 HB2 -0.0071 -0.0086 0.0098 432 LEU 76 HG -0.0074 -0.0053 0.0079 433 LEU 76 HD11 -0.0140 -0.0018 0.0107 434 LEU 76 HD12 -0.0131 -0.0059 0.0126 435 LEU 76 HD13 -0.0140 -0.0012 0.0103 436 LEU 76 HD21 -0.0106 0.0026 0.0050 437 LEU 76 HD22 -0.0072 0.0013 0.0033 438 LEU 76 HD23 -0.0060 0.0002 0.0030 439 HIS 77 N 0.0001 -0.0064 0.0027 440 HIS 77 CA 0.0014 -0.0075 0.0025 441 HIS 77 C -0.0012 -0.0048 0.0027 442 HIS 77 O -0.0029 -0.0015 0.0017 443 HIS 77 CB 0.0053 -0.0076 -0.0006 444 HIS 77 CG 0.0081 -0.0104 -0.0008 445 HIS 77 ND1 0.0081 -0.0141 0.0017 446 HIS 77 CD2 0.0109 -0.0101 -0.0033 447 HIS 77 CE1 0.0108 -0.0158 0.0006 448 HIS 77 NE2 0.0127 -0.0135 -0.0024 449 HIS 77 H -0.0003 -0.0036 0.0011 450 HIS 77 HA 0.0014 -0.0104 0.0044 451 HIS 77 HB3 0.0062 -0.0083 -0.0008 452 HIS 77 HB2 0.0054 -0.0047 -0.0026 453 HIS 77 HD1 0.0062 -0.0152 0.0039 454 HIS 77 HD2 0.0117 -0.0076 -0.0056 455 HIS 77 HE1 0.0115 -0.0187 0.0021 456 ARG 78 N -0.0069 0.0085 0.0045 457 ARG 78 CA -0.0056 0.0096 0.0045 458 ARG 78 C -0.0059 0.0099 0.0039 459 ARG 78 O -0.0066 0.0106 0.0027 460 ARG 78 CB -0.0052 0.0107 0.0037 461 ARG 78 CG -0.0037 0.0119 0.0037 462 ARG 78 CD -0.0033 0.0129 0.0030 463 ARG 78 NE -0.0020 0.0141 0.0028 464 ARG 78 CZ -0.0019 0.0151 0.0019 465 ARG 78 NH1 -0.0006 0.0161 0.0020 466 ARG 78 NH2 -0.0030 0.0151 0.0010 467 ARG 78 H -0.0077 0.0087 0.0037 468 ARG 78 HA -0.0048 0.0093 0.0055 469 ARG 78 HB3 -0.0060 0.0111 0.0027 470 ARG 78 HB2 -0.0053 0.0104 0.0040 471 ARG 78 HG3 -0.0029 0.0114 0.0048 472 ARG 78 HG2 -0.0035 0.0123 0.0035 473 ARG 78 HD3 -0.0043 0.0131 0.0020 474 ARG 78 HD2 -0.0031 0.0125 0.0036 475 ARG 78 HH22 -0.0028 0.0158 0.0005 476 ARG 78 HH21 -0.0040 0.0144 0.0010 477 ARG 78 HH12 -0.0004 0.0166 0.0016 478 ARG 78 HH11 0.0003 0.0162 0.0026 479 ARG 78 HE -0.0011 0.0141 0.0035 480 ASN 79 N -0.0053 0.0096 0.0047 481 ASN 79 CA -0.0053 0.0100 0.0043 482 ASN 79 C -0.0039 0.0112 0.0042 483 ASN 79 O -0.0028 0.0112 0.0052 484 ASN 79 CB -0.0054 0.0088 0.0055 485 ASN 79 CG -0.0054 0.0090 0.0053 486 ASN 79 OD1 -0.0048 0.0101 0.0047 487 ASN 79 ND2 -0.0059 0.0079 0.0060 488 ASN 79 H -0.0047 0.0092 0.0057 489 ASN 79 HA -0.0063 0.0101 0.0034 490 ASN 79 HB3 -0.0045 0.0086 0.0064 491 ASN 79 HB2 -0.0064 0.0080 0.0055 492 ASN 79 HD22 -0.0060 0.0079 0.0059 493 ASN 79 HD21 -0.0062 0.0070 0.0067 494 GLU 80 N -0.0016 0.0095 0.0062 495 GLU 80 CA -0.0011 0.0070 0.0053 496 GLU 80 C -0.0005 0.0052 0.0075 497 GLU 80 O -0.0004 0.0059 0.0097 498 GLU 80 CB -0.0012 0.0069 0.0040 499 GLU 80 CG -0.0008 0.0043 0.0029 500 GLU 80 CD -0.0010 0.0044 0.0011 501 GLU 80 OE1 -0.0012 0.0056 0.0017 502 GLU 80 OE2 -0.0010 0.0034 -0.0011 503 GLU 80 H -0.0016 0.0102 0.0076 504 GLU 80 HA -0.0011 0.0064 0.0039 505 GLU 80 HB3 -0.0012 0.0075 0.0054 506 GLU 80 HB2 -0.0017 0.0083 0.0026 507 GLU 80 HG3 -0.0007 0.0036 0.0019 508 GLU 80 HG2 -0.0003 0.0030 0.0044 509 ASP 81 N -0.0000 0.0029 0.0069 510 ASP 81 CA 0.0006 0.0009 0.0086 511 ASP 81 C 0.0010 -0.0015 0.0071 512 ASP 81 O 0.0009 -0.0020 0.0054 513 ASP 81 CB 0.0007 0.0014 0.0098 514 ASP 81 CG 0.0013 -0.0005 0.0116 515 ASP 81 OD1 0.0018 -0.0027 0.0118 516 ASP 81 OD2 0.0013 0.0001 0.0126 517 ASP 81 H -0.0001 0.0026 0.0051 518 ASP 81 HA 0.0008 0.0010 0.0102 519 ASP 81 HB3 0.0005 0.0015 0.0082 520 ASP 81 HB2 0.0004 0.0032 0.0107 521 PRO 82 N 0.0079 -0.0155 0.0092 522 PRO 82 CA 0.0038 -0.0159 0.0108 523 PRO 82 C 0.0018 -0.0122 0.0091 524 PRO 82 O -0.0021 -0.0118 0.0101 525 PRO 82 CB 0.0053 -0.0196 0.0126 526 PRO 82 CG 0.0103 -0.0197 0.0111 527 PRO 82 CD 0.0118 -0.0181 0.0096 528 PRO 82 HA 0.0012 -0.0165 0.0120 529 PRO 82 HB3 0.0047 -0.0223 0.0144 530 PRO 82 HB2 0.0034 -0.0196 0.0132 531 PRO 82 HG3 0.0121 -0.0227 0.0124 532 PRO 82 HG2 0.0107 -0.0177 0.0097 533 PRO 82 HD2 0.0146 -0.0166 0.0078 534 PRO 82 HD3 0.0128 -0.0205 0.0108 535 GLU 83 N 0.0045 -0.0096 0.0066 536 GLU 83 CA 0.0033 -0.0059 0.0047 537 GLU 83 C 0.0012 -0.0024 0.0032 538 GLU 83 O 0.0003 0.0010 0.0014 539 GLU 83 CB 0.0075 -0.0050 0.0029 540 GLU 83 CG 0.0090 -0.0080 0.0043 541 GLU 83 CD 0.0054 -0.0079 0.0053 542 GLU 83 OE1 0.0041 -0.0047 0.0037 543 GLU 83 OE2 0.0038 -0.0110 0.0078 544 GLU 83 H 0.0077 -0.0099 0.0059 545 GLU 83 HA 0.0007 -0.0063 0.0058 546 GLU 83 HB3 0.0069 -0.0020 0.0012 547 GLU 83 HB2 0.0103 -0.0051 0.0020 548 GLU 83 HG3 0.0120 -0.0074 0.0029 549 GLU 83 HG2 0.0098 -0.0110 0.0059 550 ARG 84 N 0.0002 -0.0047 0.0050 551 ARG 84 CA 0.0001 -0.0042 0.0042 552 ARG 84 C -0.0001 -0.0042 0.0026 553 ARG 84 O -0.0002 -0.0040 0.0022 554 ARG 84 CB 0.0001 -0.0027 0.0046 555 ARG 84 CG -0.0000 -0.0019 0.0041 556 ARG 84 CD -0.0000 -0.0004 0.0046 557 ARG 84 NE -0.0001 0.0005 0.0041 558 ARG 84 CZ -0.0001 0.0016 0.0047 559 ARG 84 NH1 -0.0002 0.0023 0.0040 560 ARG 84 NH2 0.0000 0.0022 0.0058 561 ARG 84 H 0.0002 -0.0041 0.0048 562 ARG 84 HA 0.0001 -0.0048 0.0044 563 ARG 84 HB3 0.0000 -0.0021 0.0044 564 ARG 84 HB2 0.0002 -0.0027 0.0058 565 ARG 84 HG3 0.0000 -0.0025 0.0043 566 ARG 84 HG2 -0.0001 -0.0019 0.0030 567 ARG 84 HD3 0.0001 -0.0005 0.0057 568 ARG 84 HD2 -0.0000 -0.0000 0.0045 569 ARG 84 HH22 0.0001 0.0030 0.0063 570 ARG 84 HH21 0.0001 0.0016 0.0064 571 ARG 84 HH12 -0.0002 0.0032 0.0044 572 ARG 84 HH11 -0.0002 0.0018 0.0034 573 ARG 84 HE -0.0002 0.0002 0.0031 574 PRO 86 N -0.0019 -0.0039 0.0019 575 PRO 86 CA -0.0022 -0.0028 0.0010 576 PRO 86 C -0.0026 -0.0022 0.0020 577 PRO 86 O -0.0031 -0.0020 0.0032 578 PRO 86 CB -0.0025 -0.0017 0.0005 579 PRO 86 CG -0.0022 -0.0024 0.0006 580 PRO 86 CD -0.0021 -0.0034 0.0019 581 PRO 86 HA -0.0017 -0.0033 0.0001 582 PRO 86 HB3 -0.0024 -0.0013 -0.0006 583 PRO 86 HB2 -0.0030 -0.0009 0.0012 584 PRO 86 HG3 -0.0017 -0.0030 -0.0004 585 PRO 86 HG2 -0.0025 -0.0017 0.0006 586 PRO 86 HD2 -0.0026 -0.0029 0.0029 587 PRO 86 HD3 -0.0018 -0.0043 0.0019 588 SER 87 N -0.0026 -0.0021 0.0014 589 SER 87 CA -0.0030 -0.0015 0.0022 590 SER 87 C -0.0037 -0.0000 0.0024 591 SER 87 O -0.0042 0.0004 0.0035 592 SER 87 CB -0.0027 -0.0019 0.0014 593 SER 87 OG -0.0025 -0.0013 -0.0001 594 SER 87 H -0.0022 -0.0023 0.0004 595 SER 87 HA -0.0030 -0.0021 0.0033 596 SER 87 HB3 -0.0022 -0.0030 0.0015 597 SER 87 HB2 -0.0030 -0.0014 0.0020 598 SER 87 HG -0.0027 -0.0009 -0.0003 599 VAL 88 N -0.0025 0.0057 0.0029 600 VAL 88 CA -0.0024 0.0071 0.0029 601 VAL 88 C -0.0021 0.0069 0.0024 602 VAL 88 O -0.0017 0.0062 0.0013 603 VAL 88 CB -0.0019 0.0082 0.0021 604 VAL 88 CG1 -0.0017 0.0097 0.0020 605 VAL 88 CG2 -0.0021 0.0084 0.0026 606 VAL 88 H -0.0021 0.0053 0.0020 607 VAL 88 HA -0.0028 0.0076 0.0039 608 VAL 88 HB -0.0014 0.0078 0.0011 609 VAL 88 HG11 -0.0014 0.0105 0.0015 610 VAL 88 HG12 -0.0014 0.0097 0.0015 611 VAL 88 HG13 -0.0021 0.0102 0.0030 612 VAL 88 HG21 -0.0017 0.0092 0.0020 613 VAL 88 HG22 -0.0025 0.0089 0.0036 614 VAL 88 HG23 -0.0022 0.0074 0.0026 615 ILE 89 N -0.0024 0.0076 0.0030 616 ILE 89 CA -0.0022 0.0077 0.0026 617 ILE 89 C -0.0021 0.0094 0.0028 618 ILE 89 O -0.0025 0.0101 0.0037 619 ILE 89 CB -0.0026 0.0067 0.0033 620 ILE 89 CG1 -0.0026 0.0051 0.0029 621 ILE 89 CG2 -0.0025 0.0071 0.0031 622 ILE 89 CD1 -0.0031 0.0041 0.0038 623 ILE 89 H -0.0028 0.0081 0.0039 624 ILE 89 HA -0.0017 0.0075 0.0015 625 ILE 89 HB -0.0031 0.0069 0.0044 626 ILE 89 HG13 -0.0027 0.0049 0.0030 627 ILE 89 HG12 -0.0021 0.0049 0.0019 628 ILE 89 HG21 -0.0029 0.0064 0.0037 629 ILE 89 HG22 -0.0026 0.0082 0.0035 630 ILE 89 HG23 -0.0020 0.0069 0.0021 631 ILE 89 HD11 -0.0032 0.0030 0.0038 632 ILE 89 HD12 -0.0036 0.0044 0.0048 633 ILE 89 HD13 -0.0030 0.0039 0.0034 634 TRP 90 N -0.0057 0.0080 0.0061 635 TRP 90 CA -0.0048 0.0064 0.0062 636 TRP 90 C -0.0042 0.0065 0.0050 637 TRP 90 O -0.0047 0.0071 0.0052 638 TRP 90 CB -0.0053 0.0057 0.0078 639 TRP 90 CG -0.0057 0.0053 0.0090 640 TRP 90 CD1 -0.0067 0.0062 0.0099 641 TRP 90 CD2 -0.0052 0.0040 0.0093 642 TRP 90 NE1 -0.0068 0.0055 0.0109 643 TRP 90 CE2 -0.0059 0.0041 0.0106 644 TRP 90 CE3 -0.0041 0.0026 0.0088 645 TRP 90 CZ2 -0.0056 0.0029 0.0112 646 TRP 90 CZ3 -0.0038 0.0014 0.0095 647 TRP 90 CH2 -0.0046 0.0016 0.0107 648 TRP 90 H -0.0062 0.0087 0.0064 649 TRP 90 HA -0.0043 0.0058 0.0059 650 TRP 90 HB3 -0.0047 0.0046 0.0078 651 TRP 90 HB2 -0.0059 0.0063 0.0082 652 TRP 90 HD1 -0.0073 0.0073 0.0099 653 TRP 90 HE1 -0.0075 0.0060 0.0117 654 TRP 90 HE3 -0.0036 0.0024 0.0079 655 TRP 90 HZ2 -0.0062 0.0031 0.0122 656 TRP 90 HZ3 -0.0030 0.0004 0.0090 657 TRP 90 HH2 -0.0044 0.0007 0.0112 658 GLU 91 N -0.0033 0.0059 0.0038 659 GLU 91 CA -0.0026 0.0058 0.0026 660 GLU 91 C -0.0018 0.0042 0.0028 661 GLU 91 O -0.0014 0.0031 0.0031 662 GLU 91 CB -0.0020 0.0063 0.0010 663 GLU 91 CG -0.0028 0.0081 0.0006 664 GLU 91 CD -0.0026 0.0087 -0.0005 665 GLU 91 OE1 -0.0018 0.0078 -0.0010 666 GLU 91 OE2 -0.0032 0.0101 -0.0007 667 GLU 91 H -0.0029 0.0053 0.0037 668 GLU 91 HA -0.0031 0.0066 0.0026 669 GLU 91 HB3 -0.0013 0.0060 0.0001 670 GLU 91 HB2 -0.0018 0.0058 0.0011 671 GLU 91 HG3 -0.0036 0.0085 0.0016 672 GLU 91 HG2 -0.0027 0.0086 0.0000 673 ALA 92 N 0.0010 0.0025 0.0011 674 ALA 92 CA -0.0001 0.0022 0.0013 675 ALA 92 C 0.0048 0.0025 0.0005 676 ALA 92 O 0.0079 0.0062 0.0005 677 ALA 92 CB -0.0036 0.0067 0.0024 678 ALA 92 H 0.0009 0.0061 0.0016 679 ALA 92 HA -0.0022 -0.0014 0.0011 680 ALA 92 HB1 -0.0045 0.0067 0.0026 681 ALA 92 HB2 -0.0073 0.0064 0.0030 682 ALA 92 HB3 -0.0018 0.0104 0.0026 683 LYS 93 N 0.0054 -0.0011 -0.0001 684 LYS 93 CA 0.0094 -0.0009 -0.0007 685 LYS 93 C 0.0065 -0.0012 -0.0003 686 LYS 93 O 0.0034 -0.0048 -0.0002 687 LYS 93 CB 0.0129 -0.0056 -0.0019 688 LYS 93 CG 0.0175 -0.0058 -0.0026 689 LYS 93 CD 0.0206 -0.0107 -0.0038 690 LYS 93 CE 0.0256 -0.0110 -0.0046 691 LYS 93 NZ 0.0282 -0.0159 -0.0057 692 LYS 93 H 0.0028 -0.0041 -0.0000 693 LYS 93 HA 0.0116 0.0026 -0.0006 694 LYS 93 HB3 0.0106 -0.0091 -0.0020 695 LYS 93 HB2 0.0143 -0.0054 -0.0021 696 LYS 93 HG3 0.0200 -0.0024 -0.0026 697 LYS 93 HG2 0.0163 -0.0057 -0.0024 698 LYS 93 HD3 0.0181 -0.0140 -0.0038 699 LYS 93 HD2 0.0215 -0.0109 -0.0040 700 LYS 93 HE3 0.0281 -0.0078 -0.0046 701 LYS 93 HE2 0.0247 -0.0109 -0.0045 702 LYS 93 HZ1 0.0259 -0.0189 -0.0057 703 LYS 93 HZ2 0.0315 -0.0161 -0.0063 704 LYS 93 HZ3 0.0291 -0.0161 -0.0059 705 CYS 94 N -0.0004 0.0002 0.0042 706 CYS 94 CA -0.0026 0.0008 0.0045 707 CYS 94 C -0.0041 0.0012 0.0031 708 CYS 94 O -0.0038 0.0011 0.0030 709 CYS 94 CB -0.0031 0.0011 0.0069 710 CYS 94 SG -0.0010 0.0006 0.0089 711 CYS 94 H 0.0003 0.0000 0.0055 712 CYS 94 HA -0.0027 0.0008 0.0039 713 CYS 94 HB3 -0.0045 0.0015 0.0072 714 CYS 94 HB2 -0.0036 0.0012 0.0074 715 ARG 95 N -0.0058 0.0016 0.0022 716 ARG 95 CA -0.0073 0.0019 0.0008 717 ARG 95 C -0.0089 0.0024 0.0021 718 ARG 95 O -0.0098 0.0026 0.0011 719 ARG 95 CB -0.0087 0.0022 -0.0006 720 ARG 95 CG -0.0073 0.0018 -0.0021 721 ARG 95 CD -0.0088 0.0021 -0.0034 722 ARG 95 NE -0.0074 0.0017 -0.0046 723 ARG 95 CZ -0.0080 0.0018 -0.0057 724 ARG 95 NH1 -0.0100 0.0023 -0.0060 725 ARG 95 NH2 -0.0065 0.0013 -0.0066 726 ARG 95 H -0.0061 0.0017 0.0024 727 ARG 95 HA -0.0065 0.0016 -0.0003 728 ARG 95 HB3 -0.0098 0.0025 -0.0016 729 ARG 95 HB2 -0.0096 0.0025 0.0005 730 ARG 95 HG3 -0.0061 0.0015 -0.0011 731 ARG 95 HG2 -0.0065 0.0015 -0.0032 732 ARG 95 HD3 -0.0096 0.0023 -0.0047 733 ARG 95 HD2 -0.0100 0.0025 -0.0025 734 ARG 95 HH22 -0.0068 0.0014 -0.0075 735 ARG 95 HH21 -0.0049 0.0009 -0.0061 736 ARG 95 HH12 -0.0104 0.0024 -0.0069 737 ARG 95 HH11 -0.0112 0.0027 -0.0053 738 ARG 95 HE -0.0059 0.0013 -0.0048 739 HIS 96 N -0.0176 0.0018 0.0107 740 HIS 96 CA -0.0181 0.0039 0.0125 741 HIS 96 C -0.0187 0.0016 0.0141 742 HIS 96 O -0.0184 -0.0013 0.0130 743 HIS 96 CB -0.0174 0.0063 0.0102 744 HIS 96 CG -0.0167 0.0084 0.0081 745 HIS 96 ND1 -0.0170 0.0112 0.0093 746 HIS 96 CD2 -0.0157 0.0081 0.0050 747 HIS 96 CE1 -0.0162 0.0124 0.0068 748 HIS 96 NE2 -0.0154 0.0105 0.0042 749 HIS 96 H -0.0173 -0.0000 0.0094 750 HIS 96 HA -0.0187 0.0053 0.0144 751 HIS 96 HB3 -0.0177 0.0080 0.0115 752 HIS 96 HB2 -0.0169 0.0049 0.0085 753 HIS 96 HD1 -0.0177 0.0123 0.0115 754 HIS 96 HD2 -0.0152 0.0063 0.0032 755 HIS 96 HE1 -0.0162 0.0145 0.0070 756 LEU 97 N -0.0195 0.0029 0.0166 757 LEU 97 CA -0.0200 0.0013 0.0181 758 LEU 97 C -0.0193 0.0021 0.0160 759 LEU 97 O -0.0191 -0.0002 0.0153 760 LEU 97 CB -0.0210 0.0026 0.0215 761 LEU 97 CG -0.0218 0.0018 0.0238 762 LEU 97 CD1 -0.0227 0.0037 0.0270 763 LEU 97 CD2 -0.0220 -0.0020 0.0244 764 LEU 97 H -0.0197 0.0052 0.0175 765 LEU 97 HA -0.0200 -0.0014 0.0181 766 LEU 97 HB3 -0.0214 0.0015 0.0225 767 LEU 97 HB2 -0.0210 0.0053 0.0215 768 LEU 97 HG -0.0214 0.0026 0.0227 769 LEU 97 HD11 -0.0233 0.0031 0.0286 770 LEU 97 HD12 -0.0225 0.0064 0.0266 771 LEU 97 HD13 -0.0231 0.0033 0.0282 772 LEU 97 HD21 -0.0228 -0.0026 0.0268 773 LEU 97 HD22 -0.0220 -0.0033 0.0242 774 LEU 97 HD23 -0.0215 -0.0032 0.0227 775 GLY 98 N -0.0147 -0.0015 0.0092 776 GLY 98 CA -0.0146 -0.0010 0.0085 777 GLY 98 C -0.0152 -0.0012 0.0081 778 GLY 98 O -0.0158 -0.0016 0.0084 779 GLY 98 H -0.0145 -0.0016 0.0097 780 GLY 98 HA3 -0.0140 -0.0007 0.0086 781 GLY 98 HA2 -0.0146 -0.0008 0.0080 782 CYS 99 N -0.0150 -0.0008 0.0076 783 CYS 99 CA -0.0156 -0.0008 0.0072 784 CYS 99 C -0.0151 -0.0006 0.0073 785 CYS 99 O -0.0144 -0.0002 0.0073 786 CYS 99 CB -0.0158 -0.0005 0.0063 787 CYS 99 SG -0.0164 -0.0007 0.0060 788 CYS 99 H -0.0145 -0.0004 0.0074 789 CYS 99 HA -0.0161 -0.0013 0.0074 790 CYS 99 HB3 -0.0162 -0.0006 0.0060 791 CYS 99 HB2 -0.0153 -0.0001 0.0060 792 ILE 100 N -0.0197 -0.0085 0.0080 793 ILE 100 CA -0.0181 -0.0077 0.0083 794 ILE 100 C -0.0167 -0.0092 0.0077 795 ILE 100 O -0.0161 -0.0102 0.0073 796 ILE 100 CB -0.0171 -0.0062 0.0088 797 ILE 100 CG1 -0.0184 -0.0048 0.0094 798 ILE 100 CG2 -0.0154 -0.0054 0.0092 799 ILE 100 CD1 -0.0196 -0.0039 0.0098 800 ILE 100 H -0.0196 -0.0084 0.0080 801 ILE 100 HA -0.0186 -0.0072 0.0085 802 ILE 100 HB -0.0164 -0.0069 0.0086 803 ILE 100 HG13 -0.0176 -0.0038 0.0098 804 ILE 100 HG12 -0.0194 -0.0054 0.0092 805 ILE 100 HG21 -0.0148 -0.0043 0.0096 806 ILE 100 HG22 -0.0143 -0.0063 0.0088 807 ILE 100 HG23 -0.0160 -0.0048 0.0094 808 ILE 100 HD11 -0.0204 -0.0028 0.0102 809 ILE 100 HD12 -0.0187 -0.0034 0.0100 810 ILE 100 HD13 -0.0206 -0.0048 0.0094 811 ASN 101 N -0.0162 -0.0094 0.0076 812 ASN 101 CA -0.0148 -0.0106 0.0071 813 ASN 101 C -0.0128 -0.0098 0.0074 814 ASN 101 O -0.0125 -0.0083 0.0080 815 ASN 101 CB -0.0155 -0.0114 0.0068 816 ASN 101 CG -0.0153 -0.0102 0.0073 817 ASN 101 OD1 -0.0146 -0.0087 0.0078 818 ASN 101 ND2 -0.0160 -0.0108 0.0070 819 ASN 101 H -0.0167 -0.0085 0.0079 820 ASN 101 HA -0.0147 -0.0117 0.0066 821 ASN 101 HB3 -0.0169 -0.0118 0.0066 822 ASN 101 HB2 -0.0146 -0.0125 0.0063 823 ASN 101 HD22 -0.0158 -0.0101 0.0073 824 ASN 101 HD21 -0.0166 -0.0120 0.0065 825 ALA 102 N -0.0002 -0.0236 -0.0084 826 ALA 102 CA 0.0106 -0.0195 -0.0102 827 ALA 102 C 0.0132 -0.0089 -0.0057 828 ALA 102 O 0.0196 -0.0036 -0.0053 829 ALA 102 CB 0.0169 -0.0256 -0.0157 830 ALA 102 H -0.0017 -0.0295 -0.0109 831 ALA 102 HA 0.0126 -0.0198 -0.0111 832 ALA 102 HB1 0.0250 -0.0228 -0.0172 833 ALA 102 HB2 0.0158 -0.0330 -0.0191 834 ALA 102 HB3 0.0149 -0.0258 -0.0150 835 GLY 104 N -0.0090 -0.0099 0.0125 836 GLY 104 CA -0.0144 -0.0132 0.0204 837 GLY 104 C -0.0131 -0.0135 0.0257 838 GLY 104 O -0.0157 -0.0156 0.0336 839 GLY 104 H -0.0119 -0.0101 0.0062 840 GLY 104 HA3 -0.0129 -0.0132 0.0250 841 GLY 104 HA2 -0.0211 -0.0155 0.0180 842 ASN 105 N -0.0091 -0.0113 0.0218 843 ASN 105 CA -0.0075 -0.0113 0.0259 844 ASN 105 C -0.0147 -0.0136 0.0224 845 ASN 105 O -0.0186 -0.0140 0.0150 846 ASN 105 CB 0.0013 -0.0074 0.0232 847 ASN 105 CG 0.0093 -0.0049 0.0277 848 ASN 105 OD1 0.0163 -0.0021 0.0276 849 ASN 105 ND2 0.0085 -0.0058 0.0318 850 ASN 105 H -0.0078 -0.0098 0.0151 851 ASN 105 HA -0.0075 -0.0124 0.0334 852 ASN 105 HB3 0.0019 -0.0074 0.0252 853 ASN 105 HB2 0.0017 -0.0061 0.0158 854 ASN 105 HD22 0.0139 -0.0040 0.0341 855 ASN 105 HD21 0.0029 -0.0080 0.0314 856 VAL 106 N -0.0133 -0.0118 0.0177 857 VAL 106 CA -0.0142 -0.0099 0.0157 858 VAL 106 C -0.0130 -0.0100 0.0132 859 VAL 106 O -0.0113 -0.0112 0.0121 860 VAL 106 CB -0.0143 -0.0095 0.0153 861 VAL 106 CG1 -0.0152 -0.0075 0.0131 862 VAL 106 CG2 -0.0155 -0.0095 0.0177 863 VAL 106 H -0.0123 -0.0130 0.0178 864 VAL 106 HA -0.0157 -0.0086 0.0163 865 VAL 106 HB -0.0129 -0.0108 0.0147 866 VAL 106 HG11 -0.0154 -0.0073 0.0130 867 VAL 106 HG12 -0.0143 -0.0076 0.0112 868 VAL 106 HG13 -0.0166 -0.0062 0.0135 869 VAL 106 HG21 -0.0154 -0.0094 0.0174 870 VAL 106 HG22 -0.0170 -0.0081 0.0183 871 VAL 106 HG23 -0.0149 -0.0108 0.0193 872 ASP 107 N -0.0138 -0.0087 0.0124 873 ASP 107 CA -0.0130 -0.0082 0.0098 874 ASP 107 C -0.0137 -0.0067 0.0080 875 ASP 107 O -0.0154 -0.0051 0.0086 876 ASP 107 CB -0.0137 -0.0074 0.0097 877 ASP 107 CG -0.0130 -0.0069 0.0070 878 ASP 107 OD1 -0.0115 -0.0078 0.0054 879 ASP 107 OD2 -0.0139 -0.0058 0.0066 880 ASP 107 H -0.0152 -0.0077 0.0134 881 ASP 107 HA -0.0115 -0.0097 0.0093 882 ASP 107 HB3 -0.0153 -0.0061 0.0103 883 ASP 107 HB2 -0.0133 -0.0085 0.0110 884 TYR 108 N -0.0006 -0.0069 0.0147 885 TYR 108 CA 0.0023 -0.0023 0.0084 886 TYR 108 C 0.0024 0.0068 0.0012 887 TYR 108 O 0.0037 0.0117 -0.0039 888 TYR 108 CB 0.0113 -0.0092 0.0057 889 TYR 108 CG 0.0188 -0.0122 0.0012 890 TYR 108 CD1 0.0208 -0.0201 0.0056 891 TYR 108 CD2 0.0237 -0.0070 -0.0074 892 TYR 108 CE1 0.0278 -0.0228 0.0014 893 TYR 108 CE2 0.0306 -0.0096 -0.0116 894 TYR 108 CZ 0.0326 -0.0175 -0.0072 895 TYR 108 OH 0.0391 -0.0199 -0.0112 896 TYR 108 H 0.0035 -0.0097 0.0132 897 TYR 108 HA -0.0022 -0.0005 0.0111 898 TYR 108 HB3 0.0107 -0.0153 0.0110 899 TYR 108 HB2 0.0130 -0.0061 0.0016 900 TYR 108 HD1 0.0172 -0.0242 0.0122 901 TYR 108 HD2 0.0222 -0.0008 -0.0108 902 TYR 108 HE1 0.0293 -0.0288 0.0048 903 TYR 108 HE2 0.0342 -0.0054 -0.0182 904 TYR 108 HH 0.0398 -0.0146 -0.0160 905 HIS 109 N 0.0009 0.0090 0.0008 906 HIS 109 CA 0.0004 0.0178 -0.0057 907 HIS 109 C -0.0084 0.0259 -0.0040 908 HIS 109 O -0.0089 0.0337 -0.0098 909 HIS 109 CB 0.0020 0.0172 -0.0066 910 HIS 109 CG 0.0105 0.0096 -0.0084 911 HIS 109 ND1 0.0111 0.0012 -0.0023 912 HIS 109 CD2 0.0189 0.0089 -0.0155 913 HIS 109 CE1 0.0194 -0.0041 -0.0057 914 HIS 109 NE2 0.0245 0.0002 -0.0138 915 HIS 109 H -0.0001 0.0047 0.0050 916 HIS 109 HA 0.0054 0.0193 -0.0115 917 HIS 109 HB3 0.0017 0.0237 -0.0116 918 HIS 109 HB2 -0.0032 0.0161 -0.0011 919 HIS 109 HD1 0.0060 -0.0007 0.0038 920 HIS 109 HD2 0.0213 0.0140 -0.0217 921 HIS 109 HE1 0.0217 -0.0111 -0.0023 922 MET 110 N -0.0133 0.0103 0.0023 923 MET 110 CA -0.0132 0.0095 0.0019 924 MET 110 C -0.0126 0.0084 0.0019 925 MET 110 O -0.0124 0.0083 0.0022 926 MET 110 CB -0.0139 0.0095 0.0008 927 MET 110 CG -0.0144 0.0106 0.0007 928 MET 110 SD -0.0142 0.0108 0.0012 929 MET 110 CE -0.0144 0.0099 0.0003 930 MET 110 H -0.0135 0.0103 0.0019 931 MET 110 HA -0.0130 0.0096 0.0022 932 MET 110 HB3 -0.0138 0.0089 0.0005 933 MET 110 HB2 -0.0141 0.0094 0.0004 934 MET 110 HG3 -0.0149 0.0106 -0.0000 935 MET 110 HG2 -0.0145 0.0112 0.0010 936 MET 110 HE1 -0.0144 0.0100 0.0004 937 MET 110 HE2 -0.0150 0.0101 -0.0004 938 MET 110 HE3 -0.0141 0.0091 0.0002 939 ASN 111 N -0.0124 0.0076 0.0018 940 ASN 111 CA -0.0119 0.0066 0.0019 941 ASN 111 C -0.0121 0.0058 0.0010 942 ASN 111 O -0.0123 0.0058 0.0007 943 ASN 111 CB -0.0112 0.0063 0.0027 944 ASN 111 CG -0.0108 0.0069 0.0037 945 ASN 111 OD1 -0.0103 0.0067 0.0044 946 ASN 111 ND2 -0.0110 0.0075 0.0038 947 ASN 111 H -0.0126 0.0078 0.0016 948 ASN 111 HA -0.0118 0.0065 0.0019 949 ASN 111 HB3 -0.0108 0.0055 0.0027 950 ASN 111 HB2 -0.0113 0.0064 0.0026 951 ASN 111 HD22 -0.0107 0.0079 0.0045 952 ASN 111 HD21 -0.0114 0.0077 0.0033 953 SER 112 N -0.0078 0.0006 0.0025 954 SER 112 CA -0.0073 0.0010 0.0025 955 SER 112 C -0.0053 0.0023 0.0019 956 SER 112 O -0.0043 0.0020 0.0004 957 SER 112 CB -0.0077 -0.0004 0.0010 958 SER 112 OG -0.0095 -0.0015 0.0016 959 SER 112 H -0.0077 -0.0003 0.0012 960 SER 112 HA -0.0080 0.0015 0.0038 961 SER 112 HB3 -0.0070 -0.0001 0.0007 962 SER 112 HB2 -0.0073 -0.0011 -0.0002 963 SER 112 HG -0.0101 -0.0023 0.0012 964 VAL 113 N -0.0047 0.0038 0.0031 965 VAL 113 CA -0.0028 0.0050 0.0028 966 VAL 113 C -0.0024 0.0056 0.0030 967 VAL 113 O -0.0035 0.0057 0.0042 968 VAL 113 CB -0.0023 0.0065 0.0040 969 VAL 113 CG1 -0.0024 0.0061 0.0036 970 VAL 113 CG2 -0.0033 0.0072 0.0061 971 VAL 113 H -0.0056 0.0040 0.0044 972 VAL 113 HA -0.0021 0.0046 0.0014 973 VAL 113 HB -0.0009 0.0074 0.0037 974 VAL 113 HG11 -0.0019 0.0071 0.0044 975 VAL 113 HG12 -0.0015 0.0057 0.0022 976 VAL 113 HG13 -0.0037 0.0051 0.0038 977 VAL 113 HG21 -0.0029 0.0082 0.0069 978 VAL 113 HG22 -0.0047 0.0063 0.0065 979 VAL 113 HG23 -0.0031 0.0077 0.0065 980 PRO 114 N 0.0038 0.0064 0.0014 981 PRO 114 CA 0.0030 0.0062 0.0017 982 PRO 114 C 0.0024 0.0067 0.0011 983 PRO 114 O 0.0026 0.0070 0.0007 984 PRO 114 CB 0.0030 0.0058 0.0021 985 PRO 114 CG 0.0038 0.0060 0.0019 986 PRO 114 CD 0.0044 0.0062 0.0016 987 PRO 114 HA 0.0027 0.0060 0.0019 988 PRO 114 HB3 0.0032 0.0054 0.0026 989 PRO 114 HB2 0.0025 0.0058 0.0022 990 PRO 114 HG3 0.0041 0.0057 0.0023 991 PRO 114 HG2 0.0036 0.0063 0.0015 992 PRO 114 HD2 0.0047 0.0066 0.0012 993 PRO 114 HD3 0.0048 0.0059 0.0020 994 ILE 115 N 0.0017 0.0067 0.0011 995 ILE 115 CA 0.0010 0.0071 0.0006 996 ILE 115 C 0.0005 0.0068 0.0009 997 ILE 115 O 0.0002 0.0064 0.0015 998 ILE 115 CB 0.0004 0.0072 0.0005 999 ILE 115 CG1 0.0009 0.0074 0.0003 1000 ILE 115 CG2 -0.0003 0.0076 0.0001 1001 ILE 115 CD1 0.0003 0.0074 0.0003 1002 ILE 115 H 0.0015 0.0064 0.0014 1003 ILE 115 HA 0.0013 0.0075 0.0002 1004 ILE 115 HB 0.0001 0.0068 0.0010 1005 ILE 115 HG13 0.0014 0.0071 0.0007 1006 ILE 115 HG12 0.0012 0.0078 -0.0001 1007 ILE 115 HG21 -0.0007 0.0076 -0.0000 1008 ILE 115 HG22 -0.0007 0.0074 0.0002 1009 ILE 115 HG23 -0.0000 0.0080 -0.0004 1010 ILE 115 HD11 0.0006 0.0072 0.0005 1011 ILE 115 HD12 -0.0003 0.0073 0.0004 1012 ILE 115 HD13 0.0003 0.0078 -0.0002 1013 GLN 116 N -0.0010 0.0086 0.0018 1014 GLN 116 CA -0.0010 0.0075 0.0023 1015 GLN 116 C -0.0026 0.0081 0.0015 1016 GLN 116 O -0.0027 0.0097 0.0008 1017 GLN 116 CB 0.0009 0.0078 0.0028 1018 GLN 116 CG 0.0026 0.0075 0.0034 1019 GLN 116 CD 0.0041 0.0064 0.0043 1020 GLN 116 OE1 0.0046 0.0066 0.0044 1021 GLN 116 NE2 0.0049 0.0053 0.0051 1022 GLN 116 H -0.0005 0.0099 0.0014 1023 GLN 116 HA -0.0014 0.0061 0.0028 1024 GLN 116 HB3 0.0009 0.0068 0.0032 1025 GLN 116 HB2 0.0012 0.0091 0.0022 1026 GLN 116 HG3 0.0033 0.0088 0.0030 1027 GLN 116 HG2 0.0020 0.0068 0.0035 1028 GLN 116 HE22 0.0059 0.0046 0.0057 1029 GLN 116 HE21 0.0044 0.0051 0.0050 1030 GLN 117 N -0.0037 0.0068 0.0018 1031 GLN 117 CA -0.0053 0.0071 0.0011 1032 GLN 117 C -0.0050 0.0061 0.0017 1033 GLN 117 O -0.0046 0.0045 0.0025 1034 GLN 117 CB -0.0072 0.0063 0.0009 1035 GLN 117 CG -0.0078 0.0074 0.0002 1036 GLN 117 CD -0.0082 0.0093 -0.0008 1037 GLN 117 OE1 -0.0085 0.0097 -0.0010 1038 GLN 117 NE2 -0.0083 0.0105 -0.0013 1039 GLN 117 H -0.0035 0.0054 0.0024 1040 GLN 117 HA -0.0053 0.0085 0.0005 1041 GLN 117 HB3 -0.0083 0.0062 0.0006 1042 GLN 117 HB2 -0.0071 0.0049 0.0015 1043 GLN 117 HG3 -0.0091 0.0067 0.0001 1044 GLN 117 HG2 -0.0067 0.0075 0.0005 1045 GLN 117 HE22 -0.0086 0.0118 -0.0020 1046 GLN 117 HE21 -0.0081 0.0103 -0.0012 1047 GLU 118 N -0.0044 -0.0003 0.0034 1048 GLU 118 CA -0.0040 -0.0010 0.0035 1049 GLU 118 C -0.0034 -0.0012 0.0027 1050 GLU 118 O -0.0031 -0.0014 0.0022 1051 GLU 118 CB -0.0039 -0.0018 0.0041 1052 GLU 118 CG -0.0044 -0.0019 0.0051 1053 GLU 118 CD -0.0042 -0.0028 0.0057 1054 GLU 118 OE1 -0.0037 -0.0032 0.0054 1055 GLU 118 OE2 -0.0044 -0.0031 0.0064 1056 GLU 118 H -0.0043 -0.0004 0.0035 1057 GLU 118 HA -0.0043 -0.0008 0.0039 1058 GLU 118 HB3 -0.0035 -0.0024 0.0040 1059 GLU 118 HB2 -0.0038 -0.0018 0.0040 1060 GLU 118 HG3 -0.0048 -0.0014 0.0053 1061 GLU 118 HG2 -0.0045 -0.0018 0.0053 1062 ILE 119 N -0.0034 -0.0010 0.0024 1063 ILE 119 CA -0.0029 -0.0012 0.0016 1064 ILE 119 C -0.0026 -0.0019 0.0019 1065 ILE 119 O -0.0029 -0.0019 0.0025 1066 ILE 119 CB -0.0031 -0.0003 0.0010 1067 ILE 119 CG1 -0.0032 0.0003 0.0006 1068 ILE 119 CG2 -0.0026 -0.0004 0.0003 1069 ILE 119 CD1 -0.0026 0.0000 -0.0000 1070 ILE 119 H -0.0037 -0.0009 0.0028 1071 ILE 119 HA -0.0025 -0.0014 0.0013 1072 ILE 119 HB -0.0035 0.0000 0.0015 1073 ILE 119 HG13 -0.0034 0.0009 0.0003 1074 ILE 119 HG12 -0.0036 0.0004 0.0012 1075 ILE 119 HG21 -0.0028 0.0003 -0.0001 1076 ILE 119 HG22 -0.0026 -0.0007 0.0006 1077 ILE 119 HG23 -0.0021 -0.0008 -0.0001 1078 ILE 119 HD11 -0.0027 0.0006 -0.0005 1079 ILE 119 HD12 -0.0022 -0.0003 -0.0004 1080 ILE 119 HD13 -0.0026 -0.0004 0.0003 1081 LEU 120 N 0.0013 -0.0029 0.0018 1082 LEU 120 CA 0.0016 -0.0026 0.0016 1083 LEU 120 C 0.0016 -0.0024 0.0013 1084 LEU 120 O 0.0016 -0.0024 0.0013 1085 LEU 120 CB 0.0019 -0.0025 0.0019 1086 LEU 120 CG 0.0019 -0.0027 0.0023 1087 LEU 120 CD1 0.0023 -0.0026 0.0026 1088 LEU 120 CD2 0.0019 -0.0026 0.0020 1089 LEU 120 H 0.0014 -0.0030 0.0020 1090 LEU 120 HA 0.0015 -0.0026 0.0014 1091 LEU 120 HB3 0.0022 -0.0022 0.0018 1092 LEU 120 HB2 0.0020 -0.0025 0.0021 1093 LEU 120 HG 0.0017 -0.0029 0.0024 1094 LEU 120 HD11 0.0023 -0.0027 0.0029 1095 LEU 120 HD12 0.0024 -0.0026 0.0028 1096 LEU 120 HD13 0.0025 -0.0023 0.0025 1097 LEU 120 HD21 0.0019 -0.0027 0.0023 1098 LEU 120 HD22 0.0020 -0.0023 0.0018 1099 LEU 120 HD23 0.0016 -0.0028 0.0019 1100 VAL 121 N 0.0017 -0.0021 0.0009 1101 VAL 121 CA 0.0018 -0.0018 0.0006 1102 VAL 121 C 0.0021 -0.0015 0.0005 1103 VAL 121 O 0.0021 -0.0015 0.0005 1104 VAL 121 CB 0.0014 -0.0019 0.0002 1105 VAL 121 CG1 0.0011 -0.0022 0.0003 1106 VAL 121 CG2 0.0012 -0.0019 -0.0001 1107 VAL 121 H 0.0016 -0.0021 0.0008 1108 VAL 121 HA 0.0019 -0.0018 0.0007 1109 VAL 121 HB 0.0015 -0.0017 -0.0001 1110 VAL 121 HG11 0.0009 -0.0022 -0.0000 1111 VAL 121 HG12 0.0012 -0.0022 0.0004 1112 VAL 121 HG13 0.0010 -0.0024 0.0005 1113 VAL 121 HG21 0.0010 -0.0020 -0.0004 1114 VAL 121 HG22 0.0011 -0.0021 0.0001 1115 VAL 121 HG23 0.0014 -0.0016 -0.0002 1116 LEU 122 N 0.0025 -0.0025 0.0019 1117 LEU 122 CA 0.0018 -0.0013 0.0017 1118 LEU 122 C 0.0016 -0.0012 0.0012 1119 LEU 122 O 0.0019 -0.0014 0.0019 1120 LEU 122 CB 0.0017 -0.0005 0.0030 1121 LEU 122 CG 0.0019 -0.0005 0.0036 1122 LEU 122 CD1 0.0019 0.0002 0.0050 1123 LEU 122 CD2 0.0014 -0.0001 0.0028 1124 LEU 122 H 0.0029 -0.0027 0.0027 1125 LEU 122 HA 0.0014 -0.0010 0.0010 1126 LEU 122 HB3 0.0012 0.0003 0.0029 1127 LEU 122 HB2 0.0021 -0.0008 0.0037 1128 LEU 122 HG 0.0025 -0.0014 0.0037 1129 LEU 122 HD11 0.0023 -0.0002 0.0056 1130 LEU 122 HD12 0.0020 0.0003 0.0054 1131 LEU 122 HD13 0.0014 0.0011 0.0049 1132 LEU 122 HD21 0.0015 -0.0001 0.0032 1133 LEU 122 HD22 0.0008 0.0008 0.0026 1134 LEU 122 HD23 0.0014 -0.0006 0.0019 1135 ARG 123 N 0.0010 -0.0008 0.0001 1136 ARG 123 CA 0.0006 -0.0004 -0.0003 1137 ARG 123 C -0.0001 0.0009 -0.0000 1138 ARG 123 O -0.0004 0.0014 -0.0002 1139 ARG 123 CB 0.0005 -0.0009 -0.0017 1140 ARG 123 CG 0.0001 -0.0005 -0.0021 1141 ARG 123 CD 0.0002 -0.0012 -0.0033 1142 ARG 123 NE 0.0010 -0.0024 -0.0032 1143 ARG 123 CZ 0.0015 -0.0029 -0.0025 1144 ARG 123 NH1 0.0014 -0.0024 -0.0018 1145 ARG 123 NH2 0.0021 -0.0040 -0.0024 1146 ARG 123 H 0.0007 -0.0005 -0.0003 1147 ARG 123 HA 0.0010 -0.0007 0.0003 1148 ARG 123 HB3 0.0001 -0.0006 -0.0023 1149 ARG 123 HB2 0.0010 -0.0018 -0.0018 1150 ARG 123 HG3 0.0004 -0.0005 -0.0014 1151 ARG 123 HG2 -0.0005 0.0004 -0.0023 1152 ARG 123 HD3 -0.0001 -0.0009 -0.0035 1153 ARG 123 HD2 -0.0001 -0.0011 -0.0041 1154 ARG 123 HH22 0.0026 -0.0044 -0.0019 1155 ARG 123 HH21 0.0023 -0.0044 -0.0028 1156 ARG 123 HH12 0.0018 -0.0028 -0.0013 1157 ARG 123 HH11 0.0009 -0.0016 -0.0018 1158 ARG 123 HE 0.0011 -0.0029 -0.0036 1159 ARG 124 N -0.0029 0.0049 -0.0006 1160 ARG 124 CA -0.0042 0.0066 -0.0002 1161 ARG 124 C -0.0040 0.0085 -0.0028 1162 ARG 124 O -0.0025 0.0076 -0.0048 1163 ARG 124 CB -0.0039 0.0052 0.0011 1164 ARG 124 CG -0.0041 0.0033 0.0038 1165 ARG 124 CD -0.0038 0.0019 0.0050 1166 ARG 124 NE -0.0036 -0.0002 0.0074 1167 ARG 124 CZ -0.0049 -0.0001 0.0099 1168 ARG 124 NH1 -0.0067 0.0021 0.0106 1169 ARG 124 NH2 -0.0044 -0.0023 0.0116 1170 ARG 124 H -0.0018 0.0031 -0.0003 1171 ARG 124 HA -0.0056 0.0077 0.0012 1172 ARG 124 HB3 -0.0048 0.0064 0.0013 1173 ARG 124 HB2 -0.0025 0.0041 -0.0003 1174 ARG 124 HG3 -0.0032 0.0021 0.0037 1175 ARG 124 HG2 -0.0055 0.0045 0.0051 1176 ARG 124 HD3 -0.0049 0.0031 0.0058 1177 ARG 124 HD2 -0.0026 0.0012 0.0036 1178 ARG 124 HH22 -0.0053 -0.0024 0.0136 1179 ARG 124 HH21 -0.0031 -0.0039 0.0109 1180 ARG 124 HH12 -0.0077 0.0022 0.0124 1181 ARG 124 HH11 -0.0070 0.0037 0.0092 1182 ARG 124 HE -0.0023 -0.0019 0.0069 1183 GLU 125 N -0.0056 0.0109 -0.0029 1184 GLU 125 CA -0.0057 0.0129 -0.0052 1185 GLU 125 C -0.0075 0.0149 -0.0041 1186 GLU 125 O -0.0089 0.0162 -0.0028 1187 GLU 125 CB -0.0055 0.0140 -0.0069 1188 GLU 125 CG -0.0056 0.0161 -0.0093 1189 GLU 125 CD -0.0052 0.0170 -0.0113 1190 GLU 125 OE1 -0.0037 0.0153 -0.0121 1191 GLU 125 OE2 -0.0063 0.0192 -0.0119 1192 GLU 125 H -0.0068 0.0115 -0.0012 1193 GLU 125 HA -0.0045 0.0121 -0.0065 1194 GLU 125 HB3 -0.0066 0.0147 -0.0056 1195 GLU 125 HB2 -0.0042 0.0125 -0.0075 1196 GLU 125 HG3 -0.0047 0.0155 -0.0105 1197 GLU 125 HG2 -0.0070 0.0178 -0.0087 1198 PRO 126 N -0.0129 0.0262 -0.0169 1199 PRO 126 CA -0.0104 0.0234 -0.0201 1200 PRO 126 C -0.0059 0.0178 -0.0149 1201 PRO 126 O -0.0055 0.0168 -0.0081 1202 PRO 126 CB -0.0150 0.0289 -0.0203 1203 PRO 126 CG -0.0190 0.0331 -0.0138 1204 PRO 126 CD -0.0184 0.0325 -0.0142 1205 PRO 126 HA -0.0089 0.0221 -0.0263 1206 PRO 126 HB3 -0.0167 0.0313 -0.0262 1207 PRO 126 HB2 -0.0138 0.0274 -0.0193 1208 PRO 126 HG3 -0.0230 0.0379 -0.0147 1209 PRO 126 HG2 -0.0179 0.0314 -0.0079 1210 PRO 126 HD2 -0.0195 0.0334 -0.0084 1211 PRO 126 HD3 -0.0209 0.0358 -0.0187 1212 PRO 127 N -0.0026 0.0142 -0.0182 1213 PRO 127 CA 0.0015 0.0090 -0.0136 1214 PRO 127 C -0.0006 0.0109 -0.0053 1215 PRO 127 O -0.0050 0.0160 -0.0047 1216 PRO 127 CB 0.0037 0.0068 -0.0192 1217 PRO 127 CG 0.0027 0.0086 -0.0277 1218 PRO 127 CD -0.0026 0.0148 -0.0264 1219 PRO 127 HA 0.0045 0.0054 -0.0127 1220 PRO 127 HB3 0.0078 0.0019 -0.0184 1221 PRO 127 HB2 0.0016 0.0092 -0.0181 1222 PRO 127 HG3 0.0057 0.0052 -0.0295 1223 PRO 127 HG2 0.0027 0.0089 -0.0323 1224 PRO 127 HD2 -0.0058 0.0185 -0.0267 1225 PRO 127 HD3 -0.0031 0.0157 -0.0311 1226 HIS 128 N 0.0023 0.0013 0.0037 1227 HIS 128 CA 0.0004 -0.0000 0.0093 1228 HIS 128 C -0.0043 0.0030 0.0120 1229 HIS 128 O -0.0061 0.0021 0.0167 1230 HIS 128 CB 0.0008 -0.0011 0.0104 1231 HIS 128 CG 0.0051 -0.0036 0.0074 1232 HIS 128 ND1 0.0090 -0.0070 0.0066 1233 HIS 128 CD2 0.0061 -0.0031 0.0048 1234 HIS 128 CE1 0.0121 -0.0083 0.0037 1235 HIS 128 NE2 0.0105 -0.0061 0.0025 1236 HIS 128 H 0.0049 -0.0008 0.0028 1237 HIS 128 HA 0.0023 -0.0030 0.0111 1238 HIS 128 HB3 0.0001 -0.0028 0.0146 1239 HIS 128 HB2 -0.0017 0.0019 0.0096 1240 HIS 128 HD1 0.0095 -0.0081 0.0076 1241 HIS 128 HD2 0.0039 -0.0008 0.0045 1242 HIS 128 HE1 0.0154 -0.0109 0.0023 1243 SER 129 N -0.0061 0.0064 0.0092 1244 SER 129 CA -0.0104 0.0094 0.0114 1245 SER 129 C -0.0107 0.0073 0.0157 1246 SER 129 O -0.0082 0.0054 0.0146 1247 SER 129 CB -0.0118 0.0133 0.0070 1248 SER 129 OG -0.0160 0.0161 0.0093 1249 SER 129 H -0.0045 0.0070 0.0053 1250 SER 129 HA -0.0126 0.0106 0.0129 1251 SER 129 HB3 -0.0096 0.0123 0.0049 1252 SER 129 HB2 -0.0119 0.0150 0.0042 1253 SER 129 HG -0.0170 0.0187 0.0065 1254 PRO 130 N -0.0072 0.0047 0.0103 1255 PRO 130 CA -0.0078 0.0050 0.0093 1256 PRO 130 C -0.0083 0.0055 0.0085 1257 PRO 130 O -0.0088 0.0061 0.0078 1258 PRO 130 CB -0.0082 0.0038 0.0090 1259 PRO 130 CG -0.0080 0.0028 0.0095 1260 PRO 130 CD -0.0072 0.0033 0.0105 1261 PRO 130 HA -0.0077 0.0057 0.0093 1262 PRO 130 HB3 -0.0080 0.0038 0.0094 1263 PRO 130 HB2 -0.0088 0.0038 0.0082 1264 PRO 130 HG3 -0.0080 0.0020 0.0096 1265 PRO 130 HG2 -0.0083 0.0027 0.0091 1266 PRO 130 HD2 -0.0071 0.0030 0.0107 1267 PRO 130 HD3 -0.0068 0.0031 0.0111 1268 ASN 131 N -0.0083 0.0052 0.0087 1269 ASN 131 CA -0.0088 0.0052 0.0079 1270 ASN 131 C -0.0086 0.0058 0.0081 1271 ASN 131 O -0.0090 0.0058 0.0075 1272 ASN 131 CB -0.0093 0.0040 0.0074 1273 ASN 131 CG -0.0090 0.0030 0.0081 1274 ASN 131 OD1 -0.0083 0.0031 0.0090 1275 ASN 131 ND2 -0.0094 0.0021 0.0077 1276 ASN 131 H -0.0079 0.0047 0.0093 1277 ASN 131 HA -0.0092 0.0059 0.0073 1278 ASN 131 HB3 -0.0095 0.0036 0.0073 1279 ASN 131 HB2 -0.0098 0.0041 0.0067 1280 ASN 131 HD22 -0.0092 0.0014 0.0081 1281 ASN 131 HD21 -0.0099 0.0020 0.0070 1282 SER 132 N -0.0050 0.0106 0.0062 1283 SER 132 CA -0.0051 0.0109 0.0046 1284 SER 132 C -0.0045 0.0088 0.0032 1285 SER 132 O -0.0042 0.0080 0.0022 1286 SER 132 CB -0.0057 0.0130 0.0032 1287 SER 132 OG -0.0057 0.0128 0.0017 1288 SER 132 H -0.0048 0.0099 0.0056 1289 SER 132 HA -0.0052 0.0112 0.0056 1290 SER 132 HB3 -0.0061 0.0144 0.0043 1291 SER 132 HB2 -0.0058 0.0133 0.0022 1292 SER 132 HG -0.0054 0.0120 0.0004 1293 PHE 133 N -0.0042 0.0079 0.0033 1294 PHE 133 CA -0.0036 0.0058 0.0023 1295 PHE 133 C -0.0036 0.0060 0.0008 1296 PHE 133 O -0.0041 0.0075 0.0012 1297 PHE 133 CB -0.0031 0.0041 0.0042 1298 PHE 133 CG -0.0029 0.0036 0.0058 1299 PHE 133 CD1 -0.0033 0.0050 0.0076 1300 PHE 133 CD2 -0.0024 0.0019 0.0053 1301 PHE 133 CE1 -0.0032 0.0046 0.0090 1302 PHE 133 CE2 -0.0023 0.0015 0.0067 1303 PHE 133 CZ -0.0027 0.0029 0.0085 1304 PHE 133 H -0.0044 0.0086 0.0042 1305 PHE 133 HA -0.0034 0.0053 0.0012 1306 PHE 133 HB3 -0.0026 0.0026 0.0034 1307 PHE 133 HB2 -0.0032 0.0046 0.0052 1308 PHE 133 HD1 -0.0037 0.0064 0.0080 1309 PHE 133 HD2 -0.0021 0.0009 0.0038 1310 PHE 133 HE1 -0.0035 0.0057 0.0104 1311 PHE 133 HE2 -0.0019 0.0002 0.0063 1312 PHE 133 HZ -0.0026 0.0026 0.0096 1313 ARG 134 N 0.0019 0.0068 -0.0015 1314 ARG 134 CA 0.0019 0.0056 -0.0024 1315 ARG 134 C 0.0028 0.0035 -0.0018 1316 ARG 134 O 0.0031 0.0029 -0.0017 1317 ARG 134 CB 0.0010 0.0056 -0.0046 1318 ARG 134 CG 0.0009 0.0045 -0.0056 1319 ARG 134 CD 0.0001 0.0041 -0.0077 1320 ARG 134 NE -0.0009 0.0060 -0.0086 1321 ARG 134 CZ -0.0015 0.0066 -0.0096 1322 ARG 134 NH1 -0.0013 0.0056 -0.0098 1323 ARG 134 NH2 -0.0023 0.0083 -0.0103 1324 ARG 134 H 0.0020 0.0062 -0.0017 1325 ARG 134 HA 0.0019 0.0062 -0.0018 1326 ARG 134 HB3 0.0009 0.0049 -0.0051 1327 ARG 134 HB2 0.0003 0.0071 -0.0049 1328 ARG 134 HG3 0.0007 0.0054 -0.0052 1329 ARG 134 HG2 0.0015 0.0031 -0.0051 1330 ARG 134 HD3 0.0002 0.0030 -0.0084 1331 ARG 134 HD2 0.0001 0.0037 -0.0081 1332 ARG 134 HH22 -0.0030 0.0087 -0.0114 1333 ARG 134 HH21 -0.0024 0.0092 -0.0098 1334 ARG 134 HH12 -0.0018 0.0060 -0.0107 1335 ARG 134 HH11 -0.0006 0.0044 -0.0091 1336 ARG 134 HE -0.0011 0.0068 -0.0085 1337 LEU 135 N 0.0032 0.0026 -0.0016 1338 LEU 135 CA 0.0039 0.0005 -0.0015 1339 LEU 135 C 0.0035 -0.0006 -0.0034 1340 LEU 135 O 0.0027 -0.0003 -0.0049 1341 LEU 135 CB 0.0043 -0.0002 -0.0011 1342 LEU 135 CG 0.0051 0.0001 0.0010 1343 LEU 135 CD1 0.0054 -0.0005 0.0011 1344 LEU 135 CD2 0.0060 -0.0010 0.0023 1345 LEU 135 H 0.0029 0.0033 -0.0017 1346 LEU 135 HA 0.0045 0.0001 -0.0004 1347 LEU 135 HB3 0.0046 -0.0018 -0.0016 1348 LEU 135 HB2 0.0037 0.0004 -0.0020 1349 LEU 135 HG 0.0048 0.0017 0.0014 1350 LEU 135 HD11 0.0059 -0.0002 0.0026 1351 LEU 135 HD12 0.0047 0.0002 0.0002 1352 LEU 135 HD13 0.0057 -0.0021 0.0007 1353 LEU 135 HD21 0.0064 -0.0004 0.0038 1354 LEU 135 HD22 0.0064 -0.0025 0.0021 1355 LEU 135 HD23 0.0059 -0.0008 0.0021 1356 GLU 136 N 0.0030 0.0003 -0.0015 1357 GLU 136 CA 0.0021 -0.0004 -0.0022 1358 GLU 136 C 0.0011 -0.0014 -0.0013 1359 GLU 136 O 0.0009 -0.0017 -0.0009 1360 GLU 136 CB 0.0019 -0.0004 -0.0038 1361 GLU 136 CG 0.0009 -0.0011 -0.0046 1362 GLU 136 CD 0.0009 -0.0009 -0.0063 1363 GLU 136 OE1 0.0001 -0.0015 -0.0069 1364 GLU 136 OE2 0.0016 -0.0002 -0.0070 1365 GLU 136 H 0.0027 0.0001 -0.0014 1366 GLU 136 HA 0.0024 -0.0002 -0.0021 1367 GLU 136 HB3 0.0018 -0.0004 -0.0039 1368 GLU 136 HB2 0.0026 0.0004 -0.0043 1369 GLU 136 HG3 0.0010 -0.0011 -0.0044 1370 GLU 136 HG2 0.0001 -0.0019 -0.0042 1371 LYS 137 N 0.0005 -0.0020 -0.0010 1372 LYS 137 CA -0.0005 -0.0030 -0.0003 1373 LYS 137 C -0.0015 -0.0038 -0.0014 1374 LYS 137 O -0.0016 -0.0037 -0.0022 1375 LYS 137 CB -0.0005 -0.0032 0.0009 1376 LYS 137 CG -0.0013 -0.0041 0.0021 1377 LYS 137 CD -0.0016 -0.0045 0.0031 1378 LYS 137 CE -0.0007 -0.0038 0.0042 1379 LYS 137 NZ -0.0012 -0.0044 0.0051 1380 LYS 137 H 0.0007 -0.0018 -0.0015 1381 LYS 137 HA -0.0006 -0.0032 0.0003 1382 LYS 137 HB3 -0.0006 -0.0033 0.0004 1383 LYS 137 HB2 0.0004 -0.0025 0.0015 1384 LYS 137 HG3 -0.0010 -0.0039 0.0028 1385 LYS 137 HG2 -0.0021 -0.0047 0.0015 1386 LYS 137 HD3 -0.0022 -0.0052 0.0037 1387 LYS 137 HD2 -0.0020 -0.0048 0.0024 1388 LYS 137 HE3 -0.0000 -0.0032 0.0036 1389 LYS 137 HE2 -0.0003 -0.0036 0.0049 1390 LYS 137 HZ1 -0.0015 -0.0046 0.0045 1391 LYS 137 HZ2 -0.0019 -0.0051 0.0055 1392 LYS 137 HZ3 -0.0007 -0.0041 0.0060 1393 ILE 138 N -0.0016 -0.0034 0.0021 1394 ILE 138 CA -0.0021 -0.0025 0.0023 1395 ILE 138 C -0.0029 -0.0014 0.0021 1396 ILE 138 O -0.0030 -0.0014 0.0018 1397 ILE 138 CB -0.0022 -0.0027 0.0013 1398 ILE 138 CG1 -0.0024 -0.0028 -0.0002 1399 ILE 138 CG2 -0.0014 -0.0037 0.0015 1400 ILE 138 CD1 -0.0028 -0.0026 -0.0011 1401 ILE 138 H -0.0018 -0.0033 0.0013 1402 ILE 138 HA -0.0020 -0.0024 0.0033 1403 ILE 138 HB -0.0026 -0.0020 0.0014 1404 ILE 138 HG13 -0.0029 -0.0022 -0.0003 1405 ILE 138 HG12 -0.0019 -0.0036 -0.0004 1406 ILE 138 HG21 -0.0015 -0.0038 0.0009 1407 ILE 138 HG22 -0.0013 -0.0037 0.0025 1408 ILE 138 HG23 -0.0010 -0.0045 0.0013 1409 ILE 138 HD11 -0.0030 -0.0025 -0.0021 1410 ILE 138 HD12 -0.0032 -0.0019 -0.0008 1411 ILE 138 HD13 -0.0023 -0.0033 -0.0013 1412 LEU 139 N -0.0035 -0.0005 0.0024 1413 LEU 139 CA -0.0043 0.0006 0.0024 1414 LEU 139 C -0.0048 0.0011 0.0014 1415 LEU 139 O -0.0048 0.0012 0.0015 1416 LEU 139 CB -0.0044 0.0012 0.0038 1417 LEU 139 CG -0.0050 0.0023 0.0041 1418 LEU 139 CD1 -0.0049 0.0020 0.0041 1419 LEU 139 CD2 -0.0052 0.0029 0.0054 1420 LEU 139 H -0.0034 -0.0006 0.0026 1421 LEU 139 HA -0.0043 0.0006 0.0022 1422 LEU 139 HB3 -0.0045 0.0014 0.0040 1423 LEU 139 HB2 -0.0038 0.0007 0.0045 1424 LEU 139 HG -0.0056 0.0028 0.0034 1425 LEU 139 HD11 -0.0050 0.0025 0.0050 1426 LEU 139 HD12 -0.0052 0.0023 0.0033 1427 LEU 139 HD13 -0.0043 0.0012 0.0042 1428 LEU 139 HD21 -0.0057 0.0036 0.0056 1429 LEU 139 HD22 -0.0047 0.0024 0.0062 1430 LEU 139 HD23 -0.0053 0.0031 0.0054 1431 VAL 140 N -0.0029 0.0043 0.0020 1432 VAL 140 CA -0.0027 0.0044 0.0021 1433 VAL 140 C -0.0022 0.0053 0.0017 1434 VAL 140 O -0.0023 0.0056 0.0009 1435 VAL 140 CB -0.0034 0.0039 0.0017 1436 VAL 140 CG1 -0.0033 0.0040 0.0017 1437 VAL 140 CG2 -0.0039 0.0030 0.0022 1438 VAL 140 H -0.0032 0.0044 0.0013 1439 VAL 140 HA -0.0025 0.0042 0.0029 1440 VAL 140 HB -0.0037 0.0040 0.0010 1441 VAL 140 HG11 -0.0039 0.0036 0.0014 1442 VAL 140 HG12 -0.0030 0.0045 0.0013 1443 VAL 140 HG13 -0.0031 0.0038 0.0024 1444 VAL 140 HG21 -0.0045 0.0026 0.0019 1445 VAL 140 HG22 -0.0037 0.0028 0.0029 1446 VAL 140 HG23 -0.0041 0.0029 0.0022 1447 SER 141 N -0.0016 0.0056 0.0022 1448 SER 141 CA -0.0011 0.0063 0.0018 1449 SER 141 C -0.0015 0.0062 0.0013 1450 SER 141 O -0.0016 0.0059 0.0018 1451 SER 141 CB -0.0004 0.0067 0.0026 1452 SER 141 OG -0.0000 0.0070 0.0028 1453 SER 141 H -0.0016 0.0052 0.0028 1454 SER 141 HA -0.0011 0.0067 0.0013 1455 SER 141 HB3 -0.0001 0.0072 0.0023 1456 SER 141 HB2 -0.0004 0.0063 0.0032 1457 SER 141 HG -0.0003 0.0065 0.0029 1458 VAL 142 N -0.0029 0.0059 0.0018 1459 VAL 142 CA -0.0038 0.0057 0.0021 1460 VAL 142 C -0.0036 0.0055 0.0023 1461 VAL 142 O -0.0043 0.0052 0.0026 1462 VAL 142 CB -0.0047 0.0065 0.0017 1463 VAL 142 CG1 -0.0052 0.0067 0.0017 1464 VAL 142 CG2 -0.0043 0.0074 0.0010 1465 VAL 142 H -0.0027 0.0066 0.0013 1466 VAL 142 HA -0.0041 0.0052 0.0026 1467 VAL 142 HB -0.0053 0.0064 0.0019 1468 VAL 142 HG11 -0.0058 0.0072 0.0015 1469 VAL 142 HG12 -0.0055 0.0061 0.0022 1470 VAL 142 HG13 -0.0046 0.0068 0.0015 1471 VAL 142 HG21 -0.0049 0.0079 0.0008 1472 VAL 142 HG22 -0.0037 0.0076 0.0007 1473 VAL 142 HG23 -0.0040 0.0073 0.0010 1474 GLY 143 N -0.0026 0.0056 0.0020 1475 GLY 143 CA -0.0023 0.0053 0.0021 1476 GLY 143 C -0.0013 0.0058 0.0016 1477 GLY 143 O -0.0009 0.0062 0.0012 1478 GLY 143 H -0.0021 0.0058 0.0018 1479 GLY 143 HA3 -0.0029 0.0055 0.0021 1480 GLY 143 HA2 -0.0021 0.0046 0.0026 1481 CYS 144 N -0.0009 0.0035 0.0006 1482 CYS 144 CA -0.0007 0.0037 0.0006 1483 CYS 144 C -0.0005 0.0039 0.0002 1484 CYS 144 O -0.0005 0.0040 -0.0000 1485 CYS 144 CB -0.0004 0.0039 0.0010 1486 CYS 144 SG -0.0006 0.0037 0.0015 1487 CYS 144 H -0.0008 0.0036 0.0005 1488 CYS 144 HA -0.0007 0.0036 0.0006 1489 CYS 144 HB3 -0.0002 0.0041 0.0010 1490 CYS 144 HB2 -0.0003 0.0040 0.0009 1491 THR 145 N -0.0004 0.0041 0.0001 1492 THR 145 CA -0.0002 0.0043 -0.0003 1493 THR 145 C 0.0001 0.0045 -0.0002 1494 THR 145 O 0.0001 0.0045 0.0002 1495 THR 145 CB -0.0004 0.0041 -0.0007 1496 THR 145 OG1 -0.0003 0.0043 -0.0011 1497 THR 145 CG2 -0.0005 0.0040 -0.0006 1498 THR 145 H -0.0004 0.0040 0.0003 1499 THR 145 HA -0.0001 0.0044 -0.0004 1500 THR 145 HB -0.0006 0.0039 -0.0007 1501 THR 145 HG1 -0.0004 0.0042 -0.0012 1502 THR 145 HG21 -0.0007 0.0039 -0.0008 1503 THR 145 HG22 -0.0006 0.0039 -0.0003 1504 THR 145 HG23 -0.0003 0.0042 -0.0005 1505 CYS 146 N -0.0045 0.0059 0.0000 1506 CYS 146 CA -0.0053 0.0056 0.0001 1507 CYS 146 C -0.0052 0.0059 0.0013 1508 CYS 146 O -0.0055 0.0061 0.0023 1509 CYS 146 CB -0.0066 0.0050 0.0000 1510 CYS 146 SG -0.0077 0.0046 0.0001 1511 CYS 146 H -0.0047 0.0059 0.0005 1512 CYS 146 HA -0.0051 0.0055 -0.0007 1513 CYS 146 HB3 -0.0068 0.0051 0.0008 1514 CYS 146 HB2 -0.0066 0.0048 -0.0008 1515 VAL 147 N -0.0048 0.0060 0.0012 1516 VAL 147 CA -0.0047 0.0064 0.0022 1517 VAL 147 C -0.0055 0.0060 0.0022 1518 VAL 147 O -0.0059 0.0056 0.0012 1519 VAL 147 CB -0.0034 0.0069 0.0022 1520 VAL 147 CG1 -0.0025 0.0073 0.0024 1521 VAL 147 CG2 -0.0030 0.0067 0.0010 1522 VAL 147 H -0.0047 0.0059 0.0003 1523 VAL 147 HA -0.0049 0.0065 0.0031 1524 VAL 147 HB -0.0033 0.0071 0.0030 1525 VAL 147 HG11 -0.0016 0.0077 0.0024 1526 VAL 147 HG12 -0.0027 0.0075 0.0033 1527 VAL 147 HG13 -0.0024 0.0071 0.0017 1528 VAL 147 HG21 -0.0021 0.0071 0.0010 1529 VAL 147 HG22 -0.0031 0.0065 0.0001 1530 VAL 147 HG23 -0.0035 0.0065 0.0009 1531 THR 148 N -0.0078 0.0081 0.0036 1532 THR 148 CA -0.0082 0.0081 0.0039 1533 THR 148 C -0.0079 0.0081 0.0038 1534 THR 148 O -0.0074 0.0081 0.0040 1535 THR 148 CB -0.0083 0.0081 0.0044 1536 THR 148 OG1 -0.0078 0.0081 0.0047 1537 THR 148 CG2 -0.0086 0.0081 0.0045 1538 THR 148 H -0.0076 0.0081 0.0039 1539 THR 148 HA -0.0085 0.0082 0.0036 1540 THR 148 HB -0.0085 0.0081 0.0046 1541 THR 148 HG1 -0.0077 0.0081 0.0048 1542 THR 148 HG21 -0.0086 0.0081 0.0049 1543 THR 148 HG22 -0.0089 0.0081 0.0043 1544 THR 148 HG23 -0.0083 0.0081 0.0043 1545 PRO 149 N -0.0081 0.0081 0.0037 1546 PRO 149 CA -0.0079 0.0081 0.0037 1547 PRO 149 C -0.0077 0.0081 0.0043 1548 PRO 149 O -0.0079 0.0081 0.0047 1549 PRO 149 CB -0.0083 0.0082 0.0035 1550 PRO 149 CG -0.0088 0.0082 0.0036 1551 PRO 149 CD -0.0087 0.0082 0.0035 1552 PRO 149 HA -0.0075 0.0081 0.0035 1553 PRO 149 HB3 -0.0082 0.0082 0.0031 1554 PRO 149 HB2 -0.0083 0.0081 0.0037 1555 PRO 149 HG3 -0.0091 0.0082 0.0033 1556 PRO 149 HG2 -0.0089 0.0081 0.0040 1557 PRO 149 HD2 -0.0089 0.0082 0.0038 1558 PRO 149 HD3 -0.0087 0.0082 0.0031 1559 ILE 150 N -0.0065 0.0100 0.0100 1560 ILE 150 CA -0.0090 0.0079 0.0047 1561 ILE 150 C -0.0055 0.0098 0.0072 1562 ILE 150 O -0.0069 0.0106 0.0140 1563 ILE 150 CB -0.0178 0.0047 0.0054 1564 ILE 150 CG1 -0.0217 0.0026 0.0027 1565 ILE 150 CG2 -0.0208 0.0027 0.0012 1566 ILE 150 CD1 -0.0200 0.0015 -0.0061 1567 ILE 150 H -0.0085 0.0103 0.0157 1568 ILE 150 HA -0.0072 0.0074 -0.0015 1569 ILE 150 HB -0.0195 0.0052 0.0117 1570 ILE 150 HG13 -0.0278 0.0005 0.0039 1571 ILE 150 HG12 -0.0201 0.0039 0.0063 1572 ILE 150 HG21 -0.0269 0.0003 0.0014 1573 ILE 150 HG22 -0.0192 0.0038 0.0041 1574 ILE 150 HG23 -0.0186 0.0023 -0.0049 1575 ILE 150 HD11 -0.0247 -0.0008 -0.0084 1576 ILE 150 HD12 -0.0192 0.0010 -0.0099 1577 ILE 150 HD13 -0.0149 0.0033 -0.0070 1578 VAL 151 N -0.0008 0.0105 0.0018 1579 VAL 151 CA 0.0035 0.0125 0.0033 1580 VAL 151 C 0.0002 0.0103 -0.0012 1581 VAL 151 O -0.0015 0.0083 -0.0081 1582 VAL 151 CB 0.0119 0.0152 0.0004 1583 VAL 151 CG1 0.0168 0.0174 0.0018 1584 VAL 151 CG2 0.0153 0.0173 0.0043 1585 VAL 151 H -0.0000 0.0098 -0.0038 1586 VAL 151 HA 0.0031 0.0136 0.0097 1587 VAL 151 HB 0.0122 0.0141 -0.0060 1588 VAL 151 HG11 0.0227 0.0194 -0.0000 1589 VAL 151 HG12 0.0152 0.0161 -0.0015 1590 VAL 151 HG13 0.0165 0.0186 0.0081 1591 VAL 151 HG21 0.0212 0.0193 0.0024 1592 VAL 151 HG22 0.0149 0.0184 0.0108 1593 VAL 151 HG23 0.0125 0.0159 0.0028 1594 HIS 152 N -0.0092 -0.0011 0.0039 1595 HIS 152 CA -0.0041 0.0031 0.0072 1596 HIS 152 C -0.0052 -0.0014 -0.0002 1597 HIS 152 O -0.0073 -0.0070 -0.0084 1598 HIS 152 CB 0.0073 0.0089 0.0077 1599 HIS 152 CG 0.0140 0.0070 -0.0015 1600 HIS 152 ND1 0.0130 0.0052 -0.0038 1601 HIS 152 CD2 0.0221 0.0068 -0.0088 1602 HIS 152 CE1 0.0202 0.0041 -0.0121 1603 HIS 152 NE2 0.0260 0.0050 -0.0155 1604 HIS 152 H -0.0102 -0.0056 -0.0033 1605 HIS 152 HA -0.0084 0.0052 0.0146 1606 HIS 152 HB3 0.0074 0.0125 0.0141 1607 HIS 152 HB2 0.0112 0.0116 0.0092 1608 HIS 152 HD1 0.0078 0.0049 0.0000 1609 HIS 152 HD2 0.0254 0.0080 -0.0096 1610 HIS 152 HE1 0.0213 0.0027 -0.0156 1611 HIS 153 N -0.0038 0.0010 0.0030 1612 HIS 153 CA -0.0027 -0.0021 -0.0035 1613 HIS 153 C 0.0086 0.0002 -0.0092 1614 HIS 153 O 0.0155 0.0055 -0.0056 1615 HIS 153 CB -0.0061 -0.0000 0.0032 1616 HIS 153 CG -0.0084 -0.0042 -0.0024 1617 HIS 153 ND1 -0.0008 -0.0032 -0.0071 1618 HIS 153 CD2 -0.0177 -0.0094 -0.0039 1619 HIS 153 CE1 -0.0055 -0.0077 -0.0113 1620 HIS 153 NE2 -0.0158 -0.0117 -0.0097 1621 HIS 153 H -0.0010 0.0058 0.0094 1622 HIS 153 HA -0.0078 -0.0075 -0.0089 1623 HIS 153 HB3 -0.0003 0.0052 0.0075 1624 HIS 153 HB2 -0.0132 -0.0004 0.0087 1625 HIS 153 HD1 0.0071 0.0003 -0.0076 1626 HIS 153 HD2 -0.0255 -0.0117 -0.0013 1627 HIS 153 HE1 -0.0014 -0.0081 -0.0156 1628 VAL 154 N 0.0004 -0.0018 -0.0216 1629 VAL 154 CA -0.0005 -0.0112 -0.0108 1630 VAL 154 C 0.0014 -0.0084 -0.0107 1631 VAL 154 O 0.0067 0.0026 -0.0147 1632 VAL 154 CB 0.0061 -0.0115 0.0032 1633 VAL 154 CG1 0.0164 -0.0008 0.0097 1634 VAL 154 CG2 0.0026 -0.0243 0.0134 1635 VAL 154 H 0.0066 0.0053 -0.0187 1636 VAL 154 HA -0.0077 -0.0203 -0.0131 1637 VAL 154 HB 0.0059 -0.0105 0.0014 1638 VAL 154 HG11 0.0208 -0.0008 0.0186 1639 VAL 154 HG12 0.0192 0.0085 0.0028 1640 VAL 154 HG13 0.0175 -0.0017 0.0131 1641 VAL 154 HG21 0.0071 -0.0245 0.0228 1642 VAL 154 HG22 0.0025 -0.0263 0.0158 1643 VAL 154 HG23 -0.0044 -0.0319 0.0094 1644 ALA 155 N -0.0031 -0.0182 -0.0064 1645 ALA 155 CA -0.0020 -0.0178 -0.0049 1646 ALA 155 C 0.0030 -0.0216 0.0106 1647 ALA 155 O 0.0070 -0.0171 0.0128 1648 ALA 155 CB -0.0117 -0.0264 -0.0131 1649 ALA 155 OXT 0.0020 -0.0290 0.0186 1650 ALA 155 H -0.0063 -0.0266 -0.0016 1651 ALA 155 HA 0.0023 -0.0083 -0.0090 1652 ALA 155 HB1 -0.0113 -0.0262 -0.0125 1653 ALA 155 HB2 -0.0150 -0.0234 -0.0237 1654 ALA 155 HB3 -0.0164 -0.0361 -0.0093 1655 ASP 103 N -0.0085 0.0015 -0.0076 1656 ASP 103 CA -0.0054 0.0082 -0.0014 1657 ASP 103 C -0.0072 -0.0015 0.0063 1658 ASP 103 O -0.0050 0.0026 0.0120 1659 ASP 103 CB -0.0005 0.0192 0.0081 1660 ASP 103 CG 0.0021 0.0306 0.0020 1661 ASP 103 OD1 0.0005 0.0320 -0.0106 1662 ASP 103 OD2 0.0059 0.0385 0.0103 1663 ASP 103 H -0.0075 0.0023 -0.0028 1664 ASP 103 HA -0.0053 0.0129 -0.0097 1665 ASP 103 HB2 -0.0004 0.0149 0.0167 1666 ASP 103 HB3 0.0016 0.0236 0.0124 1667 ASN 57 N 0.0080 -0.0077 0.0012 1668 ASN 57 CA 0.0123 -0.0142 0.0099 1669 ASN 57 C 0.0145 -0.0183 0.0112 1670 ASN 57 O 0.0167 -0.0206 0.0198 1671 ASN 57 CB 0.0111 -0.0090 0.0201 1672 ASN 57 CG 0.0086 -0.0040 0.0194 1673 ASN 57 OD1 0.0060 0.0028 0.0254 1674 ASN 57 ND2 0.0093 -0.0074 0.0122 1675 ASN 57 H 0.0055 -0.0023 0.0020 1676 ASN 57 HA 0.0150 -0.0203 0.0078 1677 ASN 57 HXT 0.0140 -0.0191 0.0041 1678 ASN 57 HB2 0.0088 -0.0036 0.0231 1679 ASN 57 HB3 0.0144 -0.0141 0.0263 1680 ASN 57 HD22 0.0077 -0.0042 0.0120 1681 ASN 57 HD21 0.0110 -0.0124 0.0065 1682 SER 64 N -0.0028 0.0104 0.0023 1683 SER 64 CA -0.0020 0.0078 0.0024 1684 SER 64 C -0.0023 0.0064 0.0008 1685 SER 64 O -0.0031 0.0066 -0.0012 1686 SER 64 CB -0.0020 0.0071 0.0019 1687 SER 64 OG -0.0030 0.0076 -0.0003 1688 SER 64 H1 -0.0025 0.0113 0.0036 1689 SER 64 H2 -0.0028 0.0108 0.0024 1690 SER 64 HA -0.0012 0.0074 0.0041 1691 SER 64 HB2 -0.0015 0.0052 0.0020 1692 SER 64 HB3 -0.0018 0.0080 0.0031 1693 SER 64 HG -0.0035 0.0090 -0.0005 1694 ASP 65 N -0.0015 0.0046 0.0017 1695 ASP 65 CA -0.0014 0.0028 0.0005 1696 ASP 65 C -0.0018 0.0013 -0.0014 1697 ASP 65 O -0.0017 -0.0005 -0.0023 1698 ASP 65 CB -0.0004 0.0012 0.0021 1699 ASP 65 CG 0.0001 0.0023 0.0042 1700 ASP 65 OD1 -0.0003 0.0045 0.0045 1701 ASP 65 OD2 0.0011 0.0009 0.0056 1702 ASP 65 H -0.0008 0.0048 0.0034 1703 ASP 65 HA -0.0020 0.0038 -0.0003 1704 ASP 65 HB2 0.0002 -0.0000 0.0027 1705 ASP 65 HB3 -0.0005 0.0002 0.0012 1706 TYR 85 N -0.0032 -0.0036 0.0037 1707 TYR 85 CA -0.0039 -0.0036 0.0036 1708 TYR 85 C -0.0042 -0.0030 0.0037 1709 TYR 85 O -0.0040 -0.0025 0.0038 1710 TYR 85 CB -0.0041 -0.0037 0.0035 1711 TYR 85 CG -0.0048 -0.0037 0.0034 1712 TYR 85 CD1 -0.0051 -0.0043 0.0033 1713 TYR 85 CD2 -0.0052 -0.0032 0.0035 1714 TYR 85 CE1 -0.0058 -0.0043 0.0032 1715 TYR 85 CE2 -0.0059 -0.0032 0.0035 1716 TYR 85 CZ -0.0062 -0.0038 0.0033 1717 TYR 85 OH -0.0068 -0.0038 0.0032 1718 TYR 85 H -0.0030 -0.0032 0.0038 1719 TYR 85 HA -0.0041 -0.0040 0.0035 1720 TYR 85 HB2 -0.0039 -0.0042 0.0034 1721 TYR 85 HB3 -0.0039 -0.0034 0.0036 1722 TYR 85 HD1 -0.0049 -0.0048 0.0032 1723 TYR 85 HD2 -0.0050 -0.0027 0.0037 1724 TYR 85 HE1 -0.0060 -0.0048 0.0031 1725 TYR 85 HE2 -0.0061 -0.0028 0.0035 1726 TYR 85 HH -0.0070 -0.0035 0.0033 1727 PHE 41 N -0.0205 0.0048 -0.0280 1728 PHE 41 CA -0.0229 0.0051 -0.0232 1729 PHE 41 C -0.0162 0.0033 -0.0212 1730 PHE 41 O -0.0152 0.0033 -0.0247 1731 PHE 41 CB -0.0292 0.0069 -0.0271 1732 PHE 41 CG -0.0361 0.0087 -0.0284 1733 PHE 41 CD1 -0.0405 0.0095 -0.0220 1734 PHE 41 CD2 -0.0378 0.0096 -0.0357 1735 PHE 41 CE1 -0.0465 0.0111 -0.0231 1736 PHE 41 CE2 -0.0439 0.0112 -0.0366 1737 PHE 41 CZ -0.0482 0.0119 -0.0304 1738 PHE 41 H -0.0188 0.0047 -0.0333 1739 PHE 41 HA -0.0253 0.0054 -0.0178 1740 PHE 41 HB3 -0.0307 0.0071 -0.0236 1741 PHE 41 HB2 -0.0273 0.0068 -0.0326 1742 PHE 41 HD1 -0.0392 0.0088 -0.0163 1743 PHE 41 HD2 -0.0345 0.0090 -0.0406 1744 PHE 41 HE1 -0.0498 0.0116 -0.0182 1745 PHE 41 HE2 -0.0453 0.0118 -0.0423 1746 PHE 41 HZ -0.0529 0.0131 -0.0312 1747 PRO 42 N -0.0115 0.0018 -0.0157 1748 PRO 42 CA -0.0052 0.0001 -0.0131 1749 PRO 42 C -0.0079 0.0005 -0.0088 1750 PRO 42 O -0.0133 0.0016 -0.0045 1751 PRO 42 CB -0.0009 -0.0013 -0.0079 1752 PRO 42 CG -0.0068 0.0000 -0.0048 1753 PRO 42 CD -0.0120 0.0017 -0.0115 1754 PRO 42 HA -0.0018 -0.0005 -0.0180 1755 PRO 42 HB3 0.0032 -0.0021 -0.0113 1756 PRO 42 HB2 0.0020 -0.0023 -0.0033 1757 PRO 42 HG3 -0.0047 -0.0006 -0.0026 1758 PRO 42 HG2 -0.0100 0.0006 -0.0003 1759 PRO 42 HD2 -0.0175 0.0030 -0.0095 1760 PRO 42 HD3 -0.0100 0.0014 -0.0152 1761 ARG 43 N 0.0002 0.0024 0.0021 1762 ARG 43 CA 0.0013 0.0010 0.0033 1763 ARG 43 C 0.0007 -0.0010 0.0046 1764 ARG 43 O 0.0005 -0.0023 0.0055 1765 ARG 43 CB 0.0039 0.0015 0.0033 1766 ARG 43 CG 0.0054 0.0000 0.0046 1767 ARG 43 CD 0.0080 0.0007 0.0046 1768 ARG 43 NE 0.0094 -0.0008 0.0059 1769 ARG 43 CZ 0.0100 -0.0022 0.0070 1770 ARG 43 NH1 0.0091 -0.0024 0.0070 1771 ARG 43 NH2 0.0115 -0.0034 0.0080 1772 ARG 43 H 0.0012 0.0035 0.0015 1773 ARG 43 HA 0.0007 0.0010 0.0032 1774 ARG 43 HB3 0.0045 0.0018 0.0032 1775 ARG 43 HB2 0.0043 0.0028 0.0025 1776 ARG 43 HG3 0.0049 -0.0002 0.0047 1777 ARG 43 HG2 0.0051 -0.0014 0.0056 1778 ARG 43 HD3 0.0084 0.0014 0.0041 1779 ARG 43 HD2 0.0083 0.0017 0.0039 1780 ARG 43 HH22 0.0119 -0.0044 0.0089 1781 ARG 43 HH21 0.0123 -0.0033 0.0081 1782 ARG 43 HH12 0.0096 -0.0034 0.0077 1783 ARG 43 HH11 0.0078 -0.0017 0.0063 1784 ARG 43 HE 0.0102 -0.0007 0.0059 1785 THR 44 N 0.0006 -0.0011 0.0047 1786 THR 44 CA 0.0004 -0.0029 0.0059 1787 THR 44 C -0.0015 -0.0029 0.0056 1788 THR 44 O -0.0015 -0.0015 0.0046 1789 THR 44 CB 0.0026 -0.0033 0.0065 1790 THR 44 OG1 0.0044 -0.0032 0.0068 1791 THR 44 CG2 0.0026 -0.0052 0.0079 1792 THR 44 H 0.0005 -0.0000 0.0039 1793 THR 44 HA -0.0001 -0.0041 0.0067 1794 THR 44 HB 0.0030 -0.0022 0.0058 1795 THR 44 HG1 0.0040 -0.0042 0.0074 1796 THR 44 HG21 0.0042 -0.0053 0.0083 1797 THR 44 HG22 0.0013 -0.0053 0.0078 1798 THR 44 HG23 0.0022 -0.0063 0.0087 1799 VAL 45 N -0.0018 0.0014 0.0083 1800 VAL 45 CA -0.0022 0.0014 0.0073 1801 VAL 45 C -0.0022 0.0013 0.0073 1802 VAL 45 O -0.0020 0.0009 0.0081 1803 VAL 45 CB -0.0026 0.0005 0.0068 1804 VAL 45 CG1 -0.0026 0.0006 0.0068 1805 VAL 45 CG2 -0.0027 -0.0006 0.0072 1806 VAL 45 H -0.0018 0.0008 0.0088 1807 VAL 45 HA -0.0022 0.0021 0.0069 1808 VAL 45 HB -0.0029 0.0005 0.0060 1809 VAL 45 HG11 -0.0029 0.0001 0.0064 1810 VAL 45 HG12 -0.0025 0.0014 0.0065 1811 VAL 45 HG13 -0.0023 0.0005 0.0076 1812 VAL 45 HG21 -0.0030 -0.0012 0.0068 1813 VAL 45 HG22 -0.0025 -0.0008 0.0080 1814 VAL 45 HG23 -0.0028 -0.0008 0.0071 1815 MET 46 N -0.0025 0.0016 0.0064 1816 MET 46 CA -0.0026 0.0014 0.0063 1817 MET 46 C -0.0030 0.0004 0.0058 1818 MET 46 O -0.0033 0.0001 0.0051 1819 MET 46 CB -0.0026 0.0023 0.0056 1820 MET 46 CG -0.0022 0.0033 0.0060 1821 MET 46 SD -0.0022 0.0044 0.0052 1822 MET 46 CE -0.0024 0.0046 0.0044 1823 MET 46 H -0.0026 0.0018 0.0058 1824 MET 46 HA -0.0023 0.0014 0.0070 1825 MET 46 HB3 -0.0028 0.0021 0.0053 1826 MET 46 HB2 -0.0028 0.0024 0.0049 1827 MET 46 HG3 -0.0020 0.0035 0.0063 1828 MET 46 HG2 -0.0020 0.0032 0.0067 1829 MET 46 HE1 -0.0025 0.0053 0.0039 1830 MET 46 HE2 -0.0022 0.0048 0.0048 1831 MET 46 HE3 -0.0028 0.0040 0.0040 1832 VAL 47 N 0.0022 0.0027 0.0035 1833 VAL 47 CA 0.0029 0.0018 0.0024 1834 VAL 47 C 0.0030 0.0029 0.0011 1835 VAL 47 O 0.0024 0.0040 0.0015 1836 VAL 47 CB 0.0031 0.0006 0.0033 1837 VAL 47 CG1 0.0039 -0.0003 0.0021 1838 VAL 47 CG2 0.0030 -0.0005 0.0046 1839 VAL 47 H 0.0017 0.0035 0.0040 1840 VAL 47 HA 0.0034 0.0011 0.0019 1841 VAL 47 HB 0.0026 0.0013 0.0038 1842 VAL 47 HG11 0.0040 -0.0012 0.0028 1843 VAL 47 HG12 0.0039 0.0004 0.0012 1844 VAL 47 HG13 0.0044 -0.0010 0.0015 1845 VAL 47 HG21 0.0032 -0.0014 0.0052 1846 VAL 47 HG22 0.0034 -0.0011 0.0042 1847 VAL 47 HG23 0.0024 0.0001 0.0056 1848 ASN 48 N 0.0036 0.0027 -0.0004 1849 ASN 48 CA 0.0038 0.0035 -0.0018 1850 ASN 48 C 0.0043 0.0025 -0.0021 1851 ASN 48 O 0.0049 0.0011 -0.0024 1852 ASN 48 CB 0.0043 0.0035 -0.0033 1853 ASN 48 CG 0.0045 0.0046 -0.0048 1854 ASN 48 OD1 0.0044 0.0050 -0.0051 1855 ASN 48 ND2 0.0047 0.0049 -0.0059 1856 ASN 48 H 0.0040 0.0019 -0.0006 1857 ASN 48 HA 0.0033 0.0047 -0.0017 1858 ASN 48 HB3 0.0049 0.0023 -0.0036 1859 ASN 48 HB2 0.0040 0.0040 -0.0029 1860 ASN 48 HD22 0.0049 0.0055 -0.0070 1861 ASN 48 HD21 0.0049 0.0044 -0.0058 1862 LEU 49 N 0.0072 0.0027 -0.0015 1863 LEU 49 CA 0.0073 0.0015 -0.0012 1864 LEU 49 C 0.0069 0.0009 -0.0022 1865 LEU 49 O 0.0070 -0.0001 -0.0020 1866 LEU 49 CB 0.0077 0.0016 -0.0003 1867 LEU 49 CG 0.0081 0.0020 0.0007 1868 LEU 49 CD1 0.0085 0.0019 0.0016 1869 LEU 49 CD2 0.0083 0.0013 0.0010 1870 LEU 49 H 0.0073 0.0033 -0.0013 1871 LEU 49 HA 0.0074 0.0010 -0.0010 1872 LEU 49 HB3 0.0078 0.0008 -0.0002 1873 LEU 49 HB2 0.0076 0.0022 -0.0005 1874 LEU 49 HG 0.0081 0.0029 0.0006 1875 LEU 49 HD11 0.0088 0.0021 0.0023 1876 LEU 49 HD12 0.0084 0.0025 0.0014 1877 LEU 49 HD13 0.0085 0.0011 0.0016 1878 LEU 49 HD21 0.0086 0.0015 0.0019 1879 LEU 49 HD22 0.0083 0.0004 0.0010 1880 LEU 49 HD23 0.0081 0.0015 0.0006 1881 ASN 50 N 0.0066 0.0015 -0.0031 1882 ASN 50 CA 0.0062 0.0009 -0.0040 1883 ASN 50 C 0.0060 0.0002 -0.0045 1884 ASN 50 O 0.0057 0.0006 -0.0052 1885 ASN 50 CB 0.0059 0.0018 -0.0047 1886 ASN 50 CG 0.0060 0.0023 -0.0045 1887 ASN 50 OD1 0.0062 0.0018 -0.0038 1888 ASN 50 ND2 0.0058 0.0032 -0.0049 1889 ASN 50 H 0.0065 0.0023 -0.0031 1890 ASN 50 HA 0.0063 0.0004 -0.0037 1891 ASN 50 HB3 0.0055 0.0014 -0.0055 1892 ASN 50 HB2 0.0058 0.0025 -0.0049 1893 ASN 50 HD22 0.0058 0.0035 -0.0048 1894 ASN 50 HD21 0.0055 0.0036 -0.0055 1895 ILE 51 N 0.0045 0.0035 -0.0024 1896 ILE 51 CA 0.0038 0.0020 -0.0031 1897 ILE 51 C 0.0029 0.0017 -0.0053 1898 ILE 51 O 0.0027 0.0016 -0.0058 1899 ILE 51 CB 0.0035 -0.0000 -0.0018 1900 ILE 51 CG1 0.0043 0.0001 0.0004 1901 ILE 51 CG2 0.0027 -0.0016 -0.0025 1902 ILE 51 CD1 0.0042 -0.0017 0.0017 1903 ILE 51 H 0.0050 0.0032 -0.0009 1904 ILE 51 HA 0.0040 0.0025 -0.0031 1905 ILE 51 HB 0.0033 -0.0005 -0.0020 1906 ILE 51 HG13 0.0049 0.0014 0.0009 1907 ILE 51 HG12 0.0045 0.0003 0.0006 1908 ILE 51 HG21 0.0026 -0.0030 -0.0015 1909 ILE 51 HG22 0.0021 -0.0020 -0.0040 1910 ILE 51 HG23 0.0029 -0.0011 -0.0026 1911 ILE 51 HD11 0.0048 -0.0016 0.0032 1912 ILE 51 HD12 0.0042 -0.0017 0.0018 1913 ILE 51 HD13 0.0036 -0.0031 0.0013 1914 HIS 52 N 0.0024 0.0013 -0.0065 1915 HIS 52 CA 0.0014 0.0005 -0.0083 1916 HIS 52 C 0.0008 -0.0016 -0.0081 1917 HIS 52 O 0.0010 -0.0020 -0.0071 1918 HIS 52 CB 0.0013 0.0018 -0.0100 1919 HIS 52 CG 0.0016 0.0036 -0.0108 1920 HIS 52 ND1 0.0021 0.0042 -0.0100 1921 HIS 52 CD2 0.0015 0.0049 -0.0124 1922 HIS 52 CE1 0.0022 0.0058 -0.0112 1923 HIS 52 NE2 0.0019 0.0063 -0.0126 1924 HIS 52 H 0.0026 0.0014 -0.0060 1925 HIS 52 HA 0.0012 0.0004 -0.0087 1926 HIS 52 HB3 0.0006 0.0009 -0.0112 1927 HIS 52 HB2 0.0016 0.0022 -0.0095 1928 HIS 52 HD1 0.0023 0.0036 -0.0088 1929 HIS 52 HD2 0.0012 0.0050 -0.0134 1930 HIS 52 HE1 0.0026 0.0065 -0.0109 1931 ASN 53 N 0.0032 0.0015 -0.0068 1932 ASN 53 CA 0.0020 -0.0003 -0.0067 1933 ASN 53 C 0.0019 -0.0012 -0.0086 1934 ASN 53 O 0.0026 -0.0006 -0.0100 1935 ASN 53 CB 0.0018 -0.0004 -0.0060 1936 ASN 53 CG 0.0017 0.0002 -0.0040 1937 ASN 53 OD1 0.0012 -0.0002 -0.0032 1938 ASN 53 ND2 0.0022 0.0014 -0.0031 1939 ASN 53 H 0.0037 0.0021 -0.0075 1940 ASN 53 HA 0.0015 -0.0008 -0.0057 1941 ASN 53 HB3 0.0010 -0.0017 -0.0062 1942 ASN 53 HB2 0.0024 0.0001 -0.0070 1943 ASN 53 HD22 0.0022 0.0019 -0.0018 1944 ASN 53 HD21 0.0026 0.0018 -0.0037 1945 ARG 54 N 0.0010 -0.0027 -0.0087 1946 ARG 54 CA 0.0008 -0.0038 -0.0104 1947 ARG 54 C -0.0004 -0.0055 -0.0099 1948 ARG 54 O -0.0011 -0.0066 -0.0100 1949 ARG 54 CB 0.0011 -0.0035 -0.0110 1950 ARG 54 CG 0.0009 -0.0045 -0.0130 1951 ARG 54 CD 0.0012 -0.0043 -0.0137 1952 ARG 54 NE 0.0024 -0.0026 -0.0138 1953 ARG 54 CZ 0.0033 -0.0016 -0.0151 1954 ARG 54 NH1 0.0033 -0.0022 -0.0167 1955 ARG 54 NH2 0.0042 -0.0000 -0.0148 1956 ARG 54 H 0.0005 -0.0030 -0.0075 1957 ARG 54 HA 0.0012 -0.0036 -0.0116 1958 ARG 54 HXT -0.0007 -0.0056 -0.0095 1959 ARG 54 HB3 0.0006 -0.0038 -0.0100 1960 ARG 54 HB2 0.0019 -0.0022 -0.0111 1961 ARG 54 HG3 0.0014 -0.0041 -0.0140 1962 ARG 54 HG2 0.0001 -0.0058 -0.0130 1963 ARG 54 HD3 0.0011 -0.0050 -0.0150 1964 ARG 54 HD2 0.0007 -0.0047 -0.0127 1965 ARG 54 HH22 0.0049 0.0008 -0.0157 1966 ARG 54 HH21 0.0041 0.0003 -0.0135 1967 ARG 54 HH12 0.0040 -0.0015 -0.0177 1968 ARG 54 HH11 0.0026 -0.0034 -0.0169 1969 ARG 54 HE 0.0024 -0.0021 -0.0127 1970 SER 64 N 0.0455 0.0326 -0.0030 1971 SER 64 CA 0.0408 0.0318 0.0015 1972 SER 64 C 0.0251 0.0281 0.0156 1973 SER 64 O 0.0191 0.0259 0.0199 1974 SER 64 CB 0.0527 0.0451 0.0048 1975 SER 64 OG 0.0657 0.0458 -0.0099 1976 SER 64 H1 0.0557 0.0420 -0.0029 1977 SER 64 H2 0.0474 0.0256 -0.0147 1978 SER 64 HA 0.0393 0.0229 -0.0086 1979 SER 64 HB3 0.0485 0.0447 0.0093 1980 SER 64 HB2 0.0557 0.0546 0.0139 1981 SER 64 HG 0.0733 0.0543 -0.0078 1982 TYR 66 N 0.0096 0.0100 0.0045 1983 TYR 66 CA 0.0083 0.0104 0.0021 1984 TYR 66 C 0.0079 0.0106 0.0017 1985 TYR 66 O 0.0060 0.0113 0.0008 1986 TYR 66 CB 0.0095 0.0097 -0.0002 1987 TYR 66 CG 0.0097 0.0096 -0.0003 1988 TYR 66 CD1 0.0084 0.0103 0.0011 1989 TYR 66 CD2 0.0113 0.0088 -0.0021 1990 TYR 66 CE1 0.0086 0.0102 0.0008 1991 TYR 66 CE2 0.0114 0.0086 -0.0024 1992 TYR 66 CZ 0.0101 0.0094 -0.0010 1993 TYR 66 OH 0.0102 0.0093 -0.0014 1994 TYR 66 H 0.0112 0.0093 0.0043 1995 TYR 66 HA 0.0066 0.0112 0.0022 1996 TYR 66 HB3 0.0085 0.0100 -0.0019 1997 TYR 66 HB2 0.0112 0.0089 -0.0003 1998 TYR 66 HD1 0.0072 0.0109 0.0024 1999 TYR 66 HD2 0.0123 0.0082 -0.0032 2000 TYR 66 HE1 0.0075 0.0107 0.0018 2001 TYR 66 HE2 0.0126 0.0080 -0.0038 2002 TYR 66 HH 0.0111 0.0088 -0.0027 2003 TYR 67 N 0.0095 0.0099 0.0025 2004 TYR 67 CA 0.0093 0.0100 0.0025 2005 TYR 67 C 0.0074 0.0110 0.0041 2006 TYR 67 O 0.0065 0.0113 0.0034 2007 TYR 67 CB 0.0117 0.0090 0.0032 2008 TYR 67 CG 0.0124 0.0089 0.0060 2009 TYR 67 CD1 0.0128 0.0089 0.0075 2010 TYR 67 CD2 0.0126 0.0089 0.0070 2011 TYR 67 CE1 0.0133 0.0089 0.0101 2012 TYR 67 CE2 0.0131 0.0089 0.0096 2013 TYR 67 CZ 0.0134 0.0089 0.0112 2014 TYR 67 OH 0.0137 0.0090 0.0137 2015 TYR 67 H 0.0110 0.0093 0.0034 2016 TYR 67 HA 0.0089 0.0100 0.0005 2017 TYR 67 HB3 0.0131 0.0083 0.0022 2018 TYR 67 HB2 0.0117 0.0089 0.0023 2019 TYR 67 HD1 0.0127 0.0088 0.0067 2020 TYR 67 HD2 0.0123 0.0089 0.0058 2021 TYR 67 HE1 0.0136 0.0088 0.0113 2022 TYR 67 HE2 0.0132 0.0089 0.0104 2023 TYR 67 HH 0.0143 0.0087 0.0142 2024 ASN 68 N 0.0125 0.0099 0.0120 2025 ASN 68 CA 0.0095 0.0093 0.0148 2026 ASN 68 C 0.0054 0.0099 0.0131 2027 ASN 68 O 0.0031 0.0098 0.0137 2028 ASN 68 CB 0.0096 0.0084 0.0182 2029 ASN 68 CG 0.0127 0.0076 0.0212 2030 ASN 68 OD1 0.0136 0.0074 0.0220 2031 ASN 68 ND2 0.0144 0.0071 0.0229 2032 ASN 68 H 0.0129 0.0100 0.0115 2033 ASN 68 HA 0.0100 0.0090 0.0159 2034 ASN 68 HB3 0.0068 0.0082 0.0198 2035 ASN 68 HB2 0.0099 0.0087 0.0172 2036 ASN 68 HD22 0.0166 0.0066 0.0247 2037 ASN 68 HD21 0.0137 0.0073 0.0223 2038 ARG 69 N 0.0047 0.0104 0.0110 2039 ARG 69 CA 0.0008 0.0109 0.0095 2040 ARG 69 C -0.0004 0.0118 0.0060 2041 ARG 69 O -0.0038 0.0122 0.0048 2042 ARG 69 CB 0.0008 0.0112 0.0083 2043 ARG 69 CG 0.0013 0.0104 0.0115 2044 ARG 69 CD 0.0026 0.0107 0.0101 2045 ARG 69 NE 0.0001 0.0115 0.0071 2046 ARG 69 CZ 0.0010 0.0121 0.0044 2047 ARG 69 NH1 -0.0016 0.0129 0.0016 2048 ARG 69 NH2 0.0044 0.0120 0.0044 2049 ARG 69 H 0.0068 0.0104 0.0106 2050 ARG 69 HA -0.0014 0.0104 0.0116 2051 ARG 69 HB3 -0.0020 0.0116 0.0069 2052 ARG 69 HB2 0.0031 0.0116 0.0061 2053 ARG 69 HG3 0.0037 0.0099 0.0133 2054 ARG 69 HG2 -0.0012 0.0100 0.0134 2055 ARG 69 HD3 0.0057 0.0108 0.0093 2056 ARG 69 HD2 0.0023 0.0101 0.0125 2057 ARG 69 HH22 0.0052 0.0125 0.0024 2058 ARG 69 HH21 0.0061 0.0114 0.0067 2059 ARG 69 HH12 -0.0011 0.0134 -0.0006 2060 ARG 69 HH11 -0.0042 0.0130 0.0016 2061 ARG 69 HE -0.0027 0.0116 0.0071 2062 SER 70 N 0.0019 0.0030 -0.0037 2063 SER 70 CA 0.0027 0.0040 -0.0036 2064 SER 70 C 0.0034 0.0033 -0.0034 2065 SER 70 O 0.0040 0.0022 -0.0031 2066 SER 70 CB 0.0035 0.0049 -0.0035 2067 SER 70 OG 0.0043 0.0058 -0.0034 2068 SER 70 H 0.0023 0.0028 -0.0036 2069 SER 70 HA 0.0019 0.0046 -0.0039 2070 SER 70 HB3 0.0041 0.0043 -0.0033 2071 SER 70 HB2 0.0029 0.0055 -0.0037 2072 SER 70 HG 0.0040 0.0067 -0.0036 2073 THR 71 N 0.0035 0.0040 -0.0034 2074 THR 71 CA 0.0045 0.0037 -0.0031 2075 THR 71 C 0.0059 0.0040 -0.0028 2076 THR 71 O 0.0068 0.0034 -0.0025 2077 THR 71 CB 0.0042 0.0046 -0.0033 2078 THR 71 OG1 0.0041 0.0060 -0.0035 2079 THR 71 CG2 0.0029 0.0042 -0.0036 2080 THR 71 H 0.0031 0.0048 -0.0036 2081 THR 71 HA 0.0043 0.0027 -0.0030 2082 THR 71 HB 0.0050 0.0045 -0.0031 2083 THR 71 HG1 0.0033 0.0061 -0.0037 2084 THR 71 HG21 0.0027 0.0049 -0.0037 2085 THR 71 HG22 0.0029 0.0032 -0.0035 2086 THR 71 HG23 0.0021 0.0043 -0.0038 2087 SER 72 N 0.0112 0.0024 -0.0071 2088 SER 72 CA 0.0106 0.0025 -0.0069 2089 SER 72 C 0.0106 0.0030 -0.0071 2090 SER 72 O 0.0105 0.0030 -0.0070 2091 SER 72 CB 0.0105 0.0020 -0.0067 2092 SER 72 OG 0.0108 0.0019 -0.0067 2093 SER 72 H 0.0114 0.0024 -0.0072 2094 SER 72 HA 0.0104 0.0026 -0.0069 2095 SER 72 HB3 0.0105 0.0017 -0.0066 2096 SER 72 HB2 0.0101 0.0021 -0.0065 2097 SER 72 HG 0.0109 0.0022 -0.0069 2098 PRO 73 N 0.0106 0.0035 -0.0073 2099 PRO 73 CA 0.0106 0.0039 -0.0075 2100 PRO 73 C 0.0101 0.0042 -0.0073 2101 PRO 73 O 0.0097 0.0041 -0.0071 2102 PRO 73 CB 0.0109 0.0043 -0.0077 2103 PRO 73 CG 0.0107 0.0042 -0.0076 2104 PRO 73 CD 0.0107 0.0036 -0.0074 2105 PRO 73 HA 0.0109 0.0039 -0.0075 2106 PRO 73 HB3 0.0113 0.0043 -0.0078 2107 PRO 73 HB2 0.0108 0.0047 -0.0078 2108 PRO 73 HG3 0.0109 0.0043 -0.0077 2109 PRO 73 HG2 0.0103 0.0044 -0.0075 2110 PRO 73 HD2 0.0104 0.0035 -0.0072 2111 PRO 73 HD3 0.0111 0.0034 -0.0074 2112 TRP 74 N 0.0079 0.0038 -0.0065 2113 TRP 74 CA 0.0071 0.0030 -0.0071 2114 TRP 74 C 0.0055 0.0013 -0.0084 2115 TRP 74 O 0.0048 0.0009 -0.0087 2116 TRP 74 CB 0.0060 0.0038 -0.0052 2117 TRP 74 CG 0.0039 0.0037 -0.0038 2118 TRP 74 CD1 0.0019 0.0027 -0.0039 2119 TRP 74 CD2 0.0037 0.0048 -0.0020 2120 TRP 74 NE1 0.0004 0.0031 -0.0023 2121 TRP 74 CE2 0.0014 0.0044 -0.0010 2122 TRP 74 CE3 0.0052 0.0062 -0.0010 2123 TRP 74 CZ2 0.0007 0.0052 0.0008 2124 TRP 74 CZ3 0.0045 0.0070 0.0008 2125 TRP 74 CH2 0.0022 0.0066 0.0017 2126 TRP 74 H 0.0068 0.0035 -0.0061 2127 TRP 74 HA 0.0084 0.0030 -0.0080 2128 TRP 74 HB3 0.0073 0.0049 -0.0043 2129 TRP 74 HB2 0.0057 0.0033 -0.0056 2130 TRP 74 HD1 0.0015 0.0017 -0.0051 2131 TRP 74 HE1 -0.0013 0.0024 -0.0021 2132 TRP 74 HE3 0.0070 0.0065 -0.0017 2133 TRP 74 HZ2 -0.0011 0.0049 0.0015 2134 TRP 74 HZ3 0.0057 0.0080 0.0015 2135 TRP 74 HH2 0.0017 0.0072 0.0031 2136 ASN 75 N 0.0050 0.0005 -0.0094 2137 ASN 75 CA 0.0033 -0.0011 -0.0106 2138 ASN 75 C 0.0017 -0.0012 -0.0096 2139 ASN 75 O 0.0024 -0.0004 -0.0089 2140 ASN 75 CB 0.0044 -0.0021 -0.0128 2141 ASN 75 CG 0.0062 -0.0020 -0.0139 2142 ASN 75 OD1 0.0064 -0.0016 -0.0134 2143 ASN 75 ND2 0.0076 -0.0024 -0.0155 2144 ASN 75 H 0.0057 0.0010 -0.0091 2145 ASN 75 HA 0.0024 -0.0015 -0.0106 2146 ASN 75 HB3 0.0031 -0.0032 -0.0137 2147 ASN 75 HB2 0.0051 -0.0017 -0.0128 2148 ASN 75 HD22 0.0088 -0.0023 -0.0163 2149 ASN 75 HD21 0.0074 -0.0028 -0.0160 2150 LEU 76 N -0.0077 -0.0092 -0.0046 2151 LEU 76 CA -0.0109 -0.0076 -0.0029 2152 LEU 76 C -0.0105 -0.0101 -0.0054 2153 LEU 76 O -0.0109 -0.0135 -0.0089 2154 LEU 76 CB -0.0168 -0.0074 -0.0024 2155 LEU 76 CG -0.0178 -0.0047 0.0005 2156 LEU 76 CD1 -0.0237 -0.0050 0.0004 2157 LEU 76 CD2 -0.0163 -0.0006 0.0046 2158 LEU 76 H -0.0092 -0.0115 -0.0069 2159 LEU 76 HA -0.0095 -0.0048 -0.0000 2160 LEU 76 HB3 -0.0192 -0.0066 -0.0014 2161 LEU 76 HB2 -0.0183 -0.0103 -0.0052 2162 LEU 76 HG -0.0154 -0.0055 -0.0005 2163 LEU 76 HD11 -0.0245 -0.0032 0.0024 2164 LEU 76 HD12 -0.0248 -0.0078 -0.0024 2165 LEU 76 HD13 -0.0264 -0.0043 0.0013 2166 LEU 76 HD21 -0.0192 0.0013 0.0067 2167 LEU 76 HD22 -0.0159 -0.0002 0.0050 2168 LEU 76 HD23 -0.0125 0.0003 0.0053 2169 HIS 77 N -0.0096 -0.0083 -0.0036 2170 HIS 77 CA -0.0096 -0.0101 -0.0055 2171 HIS 77 C -0.0144 -0.0089 -0.0040 2172 HIS 77 O -0.0157 -0.0056 -0.0006 2173 HIS 77 CB -0.0043 -0.0092 -0.0047 2174 HIS 77 CG 0.0005 -0.0110 -0.0068 2175 HIS 77 ND1 0.0030 -0.0096 -0.0055 2176 HIS 77 CD2 0.0032 -0.0141 -0.0101 2177 HIS 77 CE1 0.0070 -0.0118 -0.0080 2178 HIS 77 NE2 0.0073 -0.0146 -0.0109 2179 HIS 77 H -0.0094 -0.0055 -0.0007 2180 HIS 77 HA -0.0099 -0.0132 -0.0086 2181 HIS 77 HB3 -0.0046 -0.0100 -0.0056 2182 HIS 77 HB2 -0.0036 -0.0061 -0.0017 2183 HIS 77 HD1 0.0019 -0.0073 -0.0031 2184 HIS 77 HD2 0.0025 -0.0160 -0.0120 2185 HIS 77 HE1 0.0096 -0.0115 -0.0078 2186 ARG 78 N -0.0193 -0.0076 0.0156 2187 ARG 78 CA -0.0157 -0.0040 0.0140 2188 ARG 78 C -0.0105 -0.0013 0.0153 2189 ARG 78 O -0.0075 -0.0025 0.0197 2190 ARG 78 CB -0.0153 -0.0058 0.0169 2191 ARG 78 CG -0.0126 -0.0024 0.0149 2192 ARG 78 CD -0.0126 -0.0045 0.0176 2193 ARG 78 NE -0.0093 -0.0013 0.0165 2194 ARG 78 CZ -0.0041 0.0008 0.0185 2195 ARG 78 NH1 -0.0017 0.0036 0.0169 2196 ARG 78 NH2 -0.0013 0.0002 0.0219 2197 ARG 78 H -0.0190 -0.0101 0.0193 2198 ARG 78 HA -0.0173 -0.0021 0.0100 2199 ARG 78 HB3 -0.0132 -0.0073 0.0209 2200 ARG 78 HB2 -0.0191 -0.0082 0.0166 2201 ARG 78 HG3 -0.0150 -0.0012 0.0109 2202 ARG 78 HG2 -0.0087 0.0002 0.0149 2203 ARG 78 HD3 -0.0118 -0.0069 0.0217 2204 ARG 78 HD2 -0.0164 -0.0060 0.0161 2205 ARG 78 HH22 0.0027 0.0022 0.0229 2206 ARG 78 HH21 -0.0028 -0.0019 0.0233 2207 ARG 78 HH12 0.0022 0.0059 0.0174 2208 ARG 78 HH11 -0.0034 0.0040 0.0147 2209 ARG 78 HE -0.0112 -0.0006 0.0137 2210 ASN 79 N -0.0095 0.0022 0.0115 2211 ASN 79 CA -0.0047 0.0054 0.0116 2212 ASN 79 C -0.0012 0.0086 0.0105 2213 ASN 79 O -0.0027 0.0107 0.0062 2214 ASN 79 CB -0.0064 0.0071 0.0076 2215 ASN 79 CG -0.0023 0.0109 0.0063 2216 ASN 79 OD1 0.0021 0.0135 0.0068 2217 ASN 79 ND2 -0.0038 0.0114 0.0042 2218 ASN 79 H -0.0120 0.0030 0.0079 2219 ASN 79 HA -0.0028 0.0039 0.0154 2220 ASN 79 HB3 -0.0088 0.0081 0.0040 2221 ASN 79 HB2 -0.0088 0.0046 0.0088 2222 ASN 79 HD22 -0.0014 0.0137 0.0033 2223 ASN 79 HD21 -0.0076 0.0094 0.0034 2224 GLU 80 N -0.0041 0.0149 0.0128 2225 GLU 80 CA 0.0011 0.0144 0.0129 2226 GLU 80 C 0.0021 0.0131 0.0106 2227 GLU 80 O -0.0008 0.0135 0.0106 2228 GLU 80 CB 0.0033 0.0164 0.0177 2229 GLU 80 CG 0.0089 0.0159 0.0180 2230 GLU 80 CD 0.0113 0.0177 0.0224 2231 GLU 80 OE1 0.0093 0.0196 0.0259 2232 GLU 80 OE2 0.0147 0.0173 0.0224 2233 GLU 80 H -0.0062 0.0158 0.0142 2234 GLU 80 HA 0.0030 0.0133 0.0112 2235 GLU 80 HB3 0.0018 0.0175 0.0197 2236 GLU 80 HB2 0.0022 0.0172 0.0192 2237 GLU 80 HG3 0.0105 0.0144 0.0154 2238 GLU 80 HG2 0.0100 0.0155 0.0176 2239 ASP 81 N 0.0064 0.0117 0.0086 2240 ASP 81 CA 0.0080 0.0101 0.0057 2241 ASP 81 C 0.0136 0.0094 0.0057 2242 ASP 81 O 0.0153 0.0083 0.0038 2243 ASP 81 CB 0.0054 0.0082 0.0011 2244 ASP 81 CG 0.0064 0.0063 -0.0026 2245 ASP 81 OD1 0.0098 0.0061 -0.0022 2246 ASP 81 OD2 0.0040 0.0049 -0.0061 2247 ASP 81 H 0.0086 0.0115 0.0088 2248 ASP 81 HA 0.0068 0.0108 0.0070 2249 ASP 81 HB3 0.0063 0.0075 -0.0001 2250 ASP 81 HB2 0.0015 0.0088 0.0015 2251 PRO 82 N 0.0097 0.0057 -0.0003 2252 PRO 82 CA 0.0118 0.0033 0.0010 2253 PRO 82 C 0.0125 0.0004 -0.0005 2254 PRO 82 O 0.0143 -0.0014 0.0007 2255 PRO 82 CB 0.0118 0.0034 0.0010 2256 PRO 82 CG 0.0096 0.0046 -0.0013 2257 PRO 82 CD 0.0084 0.0067 -0.0014 2258 PRO 82 HA 0.0129 0.0038 0.0030 2259 PRO 82 HB3 0.0123 0.0048 0.0029 2260 PRO 82 HB2 0.0129 0.0013 0.0009 2261 PRO 82 HG3 0.0092 0.0055 -0.0012 2262 PRO 82 HG2 0.0094 0.0029 -0.0032 2263 PRO 82 HD2 0.0070 0.0068 -0.0035 2264 PRO 82 HD3 0.0081 0.0088 -0.0001 2265 GLU 83 N 0.0110 0.0000 -0.0031 2266 GLU 83 CA 0.0113 -0.0026 -0.0049 2267 GLU 83 C 0.0116 -0.0028 -0.0046 2268 GLU 83 O 0.0117 -0.0047 -0.0061 2269 GLU 83 CB 0.0094 -0.0027 -0.0079 2270 GLU 83 CG 0.0093 -0.0032 -0.0084 2271 GLU 83 CD 0.0112 -0.0060 -0.0080 2272 GLU 83 OE1 0.0116 -0.0082 -0.0092 2273 GLU 83 OE2 0.0123 -0.0059 -0.0063 2274 GLU 83 H 0.0095 0.0017 -0.0040 2275 GLU 83 HA 0.0126 -0.0044 -0.0044 2276 GLU 83 HB3 0.0094 -0.0044 -0.0093 2277 GLU 83 HB2 0.0080 -0.0008 -0.0084 2278 GLU 83 HG3 0.0080 -0.0031 -0.0104 2279 GLU 83 HG2 0.0092 -0.0014 -0.0071 2280 ARG 84 N 0.0117 -0.0007 -0.0005 2281 ARG 84 CA 0.0111 -0.0004 -0.0010 2282 ARG 84 C 0.0120 -0.0005 0.0006 2283 ARG 84 O 0.0124 -0.0001 0.0025 2284 ARG 84 CB 0.0089 0.0008 -0.0012 2285 ARG 84 CG 0.0078 0.0013 -0.0020 2286 ARG 84 CD 0.0057 0.0026 -0.0021 2287 ARG 84 NE 0.0052 0.0036 -0.0000 2288 ARG 84 CZ 0.0037 0.0047 0.0005 2289 ARG 84 NH1 0.0034 0.0055 0.0025 2290 ARG 84 NH2 0.0024 0.0050 -0.0009 2291 ARG 84 H 0.0115 -0.0001 0.0009 2292 ARG 84 HA 0.0114 -0.0012 -0.0026 2293 ARG 84 HB3 0.0086 0.0016 0.0003 2294 ARG 84 HB2 0.0084 0.0008 -0.0023 2295 ARG 84 HG3 0.0081 0.0006 -0.0036 2296 ARG 84 HG2 0.0083 0.0013 -0.0010 2297 ARG 84 HD3 0.0053 0.0026 -0.0030 2298 ARG 84 HD2 0.0049 0.0028 -0.0029 2299 ARG 84 HH22 0.0013 0.0059 -0.0005 2300 ARG 84 HH21 0.0028 0.0044 -0.0022 2301 ARG 84 HH12 0.0022 0.0064 0.0029 2302 ARG 84 HH11 0.0045 0.0053 0.0037 2303 ARG 84 HE 0.0060 0.0034 0.0011 2304 TYR 85 N 0.0122 -0.0009 -0.0000 2305 TYR 85 CA 0.0126 -0.0006 0.0014 2306 TYR 85 C 0.0110 0.0001 0.0005 2307 TYR 85 O 0.0109 -0.0004 -0.0014 2308 TYR 85 CB 0.0146 -0.0019 0.0014 2309 TYR 85 CG 0.0151 -0.0017 0.0029 2310 TYR 85 CD1 0.0145 -0.0015 0.0024 2311 TYR 85 CD2 0.0162 -0.0018 0.0049 2312 TYR 85 CE1 0.0150 -0.0014 0.0038 2313 TYR 85 CE2 0.0168 -0.0016 0.0063 2314 TYR 85 CZ 0.0161 -0.0014 0.0058 2315 TYR 85 OH 0.0166 -0.0013 0.0071 2316 TYR 85 H 0.0119 -0.0012 -0.0016 2317 TYR 85 HA 0.0125 -0.0000 0.0030 2318 TYR 85 HB3 0.0148 -0.0025 -0.0002 2319 TYR 85 HB2 0.0156 -0.0024 0.0018 2320 TYR 85 HD1 0.0137 -0.0015 0.0008 2321 TYR 85 HD2 0.0167 -0.0019 0.0053 2322 TYR 85 HE1 0.0145 -0.0012 0.0034 2323 TYR 85 HE2 0.0176 -0.0017 0.0078 2324 TYR 85 HH 0.0177 -0.0016 0.0082 2325 PRO 86 N 0.0123 0.0002 0.0014 2326 PRO 86 CA 0.0126 0.0025 0.0035 2327 PRO 86 C 0.0104 0.0040 0.0042 2328 PRO 86 O 0.0080 0.0037 0.0032 2329 PRO 86 CB 0.0120 0.0032 0.0039 2330 PRO 86 CG 0.0126 0.0009 0.0022 2331 PRO 86 CD 0.0115 -0.0006 0.0005 2332 PRO 86 HA 0.0147 0.0027 0.0042 2333 PRO 86 HB3 0.0133 0.0043 0.0052 2334 PRO 86 HB2 0.0098 0.0039 0.0039 2335 PRO 86 HG3 0.0149 0.0004 0.0023 2336 PRO 86 HG2 0.0117 0.0010 0.0019 2337 PRO 86 HD2 0.0092 -0.0004 0.0001 2338 PRO 86 HD3 0.0124 -0.0023 -0.0007 2339 SER 87 N 0.0114 0.0056 0.0058 2340 SER 87 CA 0.0096 0.0070 0.0065 2341 SER 87 C 0.0073 0.0087 0.0073 2342 SER 87 O 0.0049 0.0090 0.0069 2343 SER 87 CB 0.0115 0.0082 0.0080 2344 SER 87 OG 0.0133 0.0093 0.0095 2345 SER 87 H 0.0134 0.0059 0.0066 2346 SER 87 HA 0.0085 0.0060 0.0053 2347 SER 87 HB3 0.0127 0.0069 0.0073 2348 SER 87 HB2 0.0101 0.0093 0.0086 2349 SER 87 HG 0.0132 0.0108 0.0107 2350 VAL 88 N 0.0027 0.0133 0.0075 2351 VAL 88 CA 0.0001 0.0122 0.0085 2352 VAL 88 C -0.0018 0.0118 0.0061 2353 VAL 88 O -0.0017 0.0122 0.0040 2354 VAL 88 CB -0.0005 0.0117 0.0099 2355 VAL 88 CG1 -0.0033 0.0105 0.0109 2356 VAL 88 CG2 0.0014 0.0120 0.0122 2357 VAL 88 H 0.0031 0.0136 0.0065 2358 VAL 88 HA -0.0000 0.0119 0.0099 2359 VAL 88 HB -0.0004 0.0120 0.0084 2360 VAL 88 HG11 -0.0036 0.0102 0.0121 2361 VAL 88 HG12 -0.0047 0.0102 0.0092 2362 VAL 88 HG13 -0.0037 0.0101 0.0121 2363 VAL 88 HG21 0.0010 0.0118 0.0131 2364 VAL 88 HG22 0.0012 0.0117 0.0138 2365 VAL 88 HG23 0.0033 0.0129 0.0116 2366 ILE 89 N -0.0037 0.0111 0.0064 2367 ILE 89 CA -0.0059 0.0105 0.0046 2368 ILE 89 C -0.0082 0.0094 0.0064 2369 ILE 89 O -0.0081 0.0091 0.0085 2370 ILE 89 CB -0.0057 0.0109 0.0030 2371 ILE 89 CG1 -0.0033 0.0121 0.0013 2372 ILE 89 CG2 -0.0081 0.0103 0.0012 2373 ILE 89 CD1 -0.0030 0.0125 -0.0006 2374 ILE 89 H -0.0037 0.0108 0.0082 2375 ILE 89 HA -0.0061 0.0107 0.0032 2376 ILE 89 HB -0.0054 0.0108 0.0045 2377 ILE 89 HG13 -0.0016 0.0125 0.0026 2378 ILE 89 HG12 -0.0033 0.0122 0.0003 2379 ILE 89 HG21 -0.0079 0.0105 0.0003 2380 ILE 89 HG22 -0.0098 0.0094 0.0023 2381 ILE 89 HG23 -0.0084 0.0104 -0.0004 2382 ILE 89 HD11 -0.0011 0.0134 -0.0014 2383 ILE 89 HD12 -0.0032 0.0123 0.0003 2384 ILE 89 HD13 -0.0044 0.0123 -0.0024 2385 TRP 90 N -0.0250 0.0044 0.0025 2386 TRP 90 CA -0.0245 0.0013 0.0023 2387 TRP 90 C -0.0223 0.0052 0.0027 2388 TRP 90 O -0.0251 0.0093 0.0027 2389 TRP 90 CB -0.0301 -0.0010 0.0018 2390 TRP 90 CG -0.0323 -0.0053 0.0015 2391 TRP 90 CD1 -0.0357 -0.0044 0.0013 2392 TRP 90 CD2 -0.0311 -0.0112 0.0013 2393 TRP 90 NE1 -0.0369 -0.0093 0.0009 2394 TRP 90 CE2 -0.0342 -0.0137 0.0009 2395 TRP 90 CE3 -0.0278 -0.0147 0.0013 2396 TRP 90 CZ2 -0.0342 -0.0194 0.0006 2397 TRP 90 CZ3 -0.0278 -0.0205 0.0011 2398 TRP 90 CH2 -0.0310 -0.0228 0.0007 2399 TRP 90 H -0.0283 0.0070 0.0023 2400 TRP 90 HA -0.0217 -0.0021 0.0024 2401 TRP 90 HB3 -0.0297 -0.0029 0.0018 2402 TRP 90 HB2 -0.0331 0.0023 0.0018 2403 TRP 90 HD1 -0.0372 -0.0003 0.0013 2404 TRP 90 HE1 -0.0397 -0.0096 0.0007 2405 TRP 90 HE3 -0.0253 -0.0130 0.0016 2406 TRP 90 HZ2 -0.0367 -0.0212 0.0004 2407 TRP 90 HZ3 -0.0253 -0.0231 0.0011 2408 TRP 90 HH2 -0.0310 -0.0272 0.0005 2409 GLU 91 N -0.0175 0.0039 0.0030 2410 GLU 91 CA -0.0152 0.0068 0.0033 2411 GLU 91 C -0.0154 0.0034 0.0031 2412 GLU 91 O -0.0146 -0.0016 0.0029 2413 GLU 91 CB -0.0091 0.0083 0.0038 2414 GLU 91 CG -0.0084 0.0130 0.0041 2415 GLU 91 CD -0.0025 0.0151 0.0046 2416 GLU 91 OE1 0.0007 0.0135 0.0048 2417 GLU 91 OE2 -0.0013 0.0179 0.0048 2418 GLU 91 H -0.0155 0.0005 0.0030 2419 GLU 91 HA -0.0174 0.0107 0.0033 2420 GLU 91 HB3 -0.0071 0.0093 0.0040 2421 GLU 91 HB2 -0.0070 0.0046 0.0038 2422 GLU 91 HG3 -0.0094 0.0116 0.0039 2423 GLU 91 HG2 -0.0111 0.0164 0.0040 2424 ALA 92 N -0.0087 0.0056 -0.0003 2425 ALA 92 CA -0.0057 0.0059 -0.0013 2426 ALA 92 C -0.0006 0.0063 -0.0029 2427 ALA 92 O 0.0013 0.0089 -0.0013 2428 ALA 92 CB -0.0060 0.0091 0.0019 2429 ALA 92 H -0.0093 0.0081 0.0022 2430 ALA 92 HA -0.0069 0.0034 -0.0032 2431 ALA 92 HB1 -0.0037 0.0094 0.0012 2432 ALA 92 HB2 -0.0095 0.0089 0.0031 2433 ALA 92 HB3 -0.0049 0.0117 0.0039 2434 LYS 93 N 0.0016 0.0040 -0.0060 2435 LYS 93 CA 0.0067 0.0046 -0.0075 2436 LYS 93 C 0.0085 0.0051 -0.0077 2437 LYS 93 O 0.0071 0.0026 -0.0094 2438 LYS 93 CB 0.0079 0.0013 -0.0111 2439 LYS 93 CG 0.0130 0.0012 -0.0132 2440 LYS 93 CD 0.0152 -0.0004 -0.0156 2441 LYS 93 CE 0.0202 -0.0008 -0.0179 2442 LYS 93 NZ 0.0233 0.0027 -0.0160 2443 LYS 93 H -0.0002 0.0019 -0.0072 2444 LYS 93 HA 0.0083 0.0070 -0.0058 2445 LYS 93 HB3 0.0056 -0.0012 -0.0125 2446 LYS 93 HB2 0.0070 0.0013 -0.0107 2447 LYS 93 HG3 0.0151 0.0040 -0.0114 2448 LYS 93 HG2 0.0133 -0.0003 -0.0148 2449 LYS 93 HD3 0.0129 -0.0031 -0.0173 2450 LYS 93 HD2 0.0151 0.0012 -0.0140 2451 LYS 93 HE3 0.0200 -0.0029 -0.0199 2452 LYS 93 HE2 0.0216 -0.0017 -0.0194 2453 LYS 93 HZ1 0.0222 0.0034 -0.0148 2454 LYS 93 HZ2 0.0235 0.0047 -0.0141 2455 LYS 93 HZ3 0.0266 0.0023 -0.0176 2456 CYS 94 N 0.0109 0.0016 -0.0089 2457 CYS 94 CA 0.0126 0.0033 -0.0087 2458 CYS 94 C 0.0131 0.0039 -0.0110 2459 CYS 94 O 0.0127 0.0036 -0.0126 2460 CYS 94 CB 0.0136 0.0042 -0.0078 2461 CYS 94 SG 0.0127 0.0032 -0.0057 2462 CYS 94 H 0.0107 0.0014 -0.0084 2463 CYS 94 HA 0.0127 0.0033 -0.0076 2464 CYS 94 HB3 0.0147 0.0053 -0.0072 2465 CYS 94 HB2 0.0138 0.0045 -0.0092 2466 ARG 95 N 0.0141 0.0049 -0.0110 2467 ARG 95 CA 0.0147 0.0056 -0.0130 2468 ARG 95 C 0.0159 0.0069 -0.0141 2469 ARG 95 O 0.0160 0.0070 -0.0161 2470 ARG 95 CB 0.0154 0.0062 -0.0126 2471 ARG 95 CG 0.0142 0.0051 -0.0117 2472 ARG 95 CD 0.0150 0.0058 -0.0113 2473 ARG 95 NE 0.0139 0.0046 -0.0102 2474 ARG 95 CZ 0.0141 0.0048 -0.0093 2475 ARG 95 NH1 0.0154 0.0061 -0.0093 2476 ARG 95 NH2 0.0129 0.0035 -0.0083 2477 ARG 95 H 0.0144 0.0051 -0.0096 2478 ARG 95 HA 0.0137 0.0047 -0.0142 2479 ARG 95 HB3 0.0158 0.0068 -0.0141 2480 ARG 95 HB2 0.0164 0.0072 -0.0114 2481 ARG 95 HG3 0.0137 0.0044 -0.0103 2482 ARG 95 HG2 0.0133 0.0042 -0.0130 2483 ARG 95 HD3 0.0151 0.0060 -0.0129 2484 ARG 95 HD2 0.0161 0.0069 -0.0105 2485 ARG 95 HH22 0.0130 0.0036 -0.0076 2486 ARG 95 HH21 0.0119 0.0026 -0.0079 2487 ARG 95 HH12 0.0155 0.0062 -0.0086 2488 ARG 95 HH11 0.0164 0.0071 -0.0098 2489 ARG 95 HE 0.0127 0.0035 -0.0105 2490 HIS 96 N 0.0259 -0.0065 -0.0086 2491 HIS 96 CA 0.0253 -0.0072 -0.0082 2492 HIS 96 C 0.0257 -0.0064 -0.0088 2493 HIS 96 O 0.0262 -0.0054 -0.0098 2494 HIS 96 CB 0.0238 -0.0081 -0.0088 2495 HIS 96 CG 0.0233 -0.0088 -0.0083 2496 HIS 96 ND1 0.0232 -0.0097 -0.0070 2497 HIS 96 CD2 0.0228 -0.0087 -0.0091 2498 HIS 96 CE1 0.0228 -0.0101 -0.0070 2499 HIS 96 NE2 0.0225 -0.0094 -0.0082 2500 HIS 96 H 0.0256 -0.0060 -0.0096 2501 HIS 96 HA 0.0256 -0.0077 -0.0071 2502 HIS 96 HB3 0.0233 -0.0086 -0.0085 2503 HIS 96 HB2 0.0234 -0.0076 -0.0099 2504 HIS 96 HD1 0.0235 -0.0101 -0.0062 2505 HIS 96 HD2 0.0226 -0.0080 -0.0102 2506 HIS 96 HE1 0.0227 -0.0108 -0.0061 2507 LEU 97 N 0.0255 -0.0069 -0.0083 2508 LEU 97 CA 0.0256 -0.0064 -0.0090 2509 LEU 97 C 0.0243 -0.0067 -0.0102 2510 LEU 97 O 0.0243 -0.0059 -0.0113 2511 LEU 97 CB 0.0260 -0.0069 -0.0078 2512 LEU 97 CG 0.0273 -0.0067 -0.0066 2513 LEU 97 CD1 0.0274 -0.0074 -0.0054 2514 LEU 97 CD2 0.0285 -0.0054 -0.0071 2515 LEU 97 H 0.0252 -0.0078 -0.0075 2516 LEU 97 HA 0.0264 -0.0055 -0.0094 2517 LEU 97 HB3 0.0260 -0.0066 -0.0083 2518 LEU 97 HB2 0.0252 -0.0079 -0.0074 2519 LEU 97 HG 0.0274 -0.0069 -0.0062 2520 LEU 97 HD11 0.0284 -0.0072 -0.0046 2521 LEU 97 HD12 0.0267 -0.0083 -0.0049 2522 LEU 97 HD13 0.0273 -0.0073 -0.0057 2523 LEU 97 HD21 0.0294 -0.0052 -0.0063 2524 LEU 97 HD22 0.0283 -0.0050 -0.0079 2525 LEU 97 HD23 0.0287 -0.0049 -0.0076 2526 GLY 98 N 0.0180 -0.0094 -0.0128 2527 GLY 98 CA 0.0176 -0.0096 -0.0132 2528 GLY 98 C 0.0182 -0.0096 -0.0134 2529 GLY 98 O 0.0190 -0.0093 -0.0133 2530 GLY 98 H 0.0179 -0.0092 -0.0122 2531 GLY 98 HA3 0.0171 -0.0096 -0.0129 2532 GLY 98 HA2 0.0174 -0.0099 -0.0138 2533 CYS 99 N 0.0179 -0.0098 -0.0137 2534 CYS 99 CA 0.0184 -0.0097 -0.0139 2535 CYS 99 C 0.0180 -0.0096 -0.0134 2536 CYS 99 O 0.0173 -0.0097 -0.0132 2537 CYS 99 CB 0.0184 -0.0101 -0.0148 2538 CYS 99 SG 0.0188 -0.0102 -0.0155 2539 CYS 99 H 0.0173 -0.0099 -0.0137 2540 CYS 99 HA 0.0190 -0.0095 -0.0138 2541 CYS 99 HB3 0.0187 -0.0100 -0.0149 2542 CYS 99 HB2 0.0178 -0.0103 -0.0149 2543 ILE 100 N 0.0248 -0.0080 -0.0124 2544 ILE 100 CA 0.0234 -0.0078 -0.0104 2545 ILE 100 C 0.0215 -0.0081 -0.0121 2546 ILE 100 O 0.0226 -0.0084 -0.0141 2547 ILE 100 CB 0.0257 -0.0074 -0.0087 2548 ILE 100 CG1 0.0279 -0.0071 -0.0073 2549 ILE 100 CG2 0.0243 -0.0072 -0.0065 2550 ILE 100 CD1 0.0266 -0.0069 -0.0052 2551 ILE 100 H 0.0268 -0.0080 -0.0131 2552 ILE 100 HA 0.0221 -0.0076 -0.0089 2553 ILE 100 HB 0.0268 -0.0076 -0.0102 2554 ILE 100 HG13 0.0294 -0.0069 -0.0061 2555 ILE 100 HG12 0.0292 -0.0073 -0.0089 2556 ILE 100 HG21 0.0259 -0.0069 -0.0052 2557 ILE 100 HG22 0.0231 -0.0074 -0.0075 2558 ILE 100 HG23 0.0229 -0.0070 -0.0051 2559 ILE 100 HD11 0.0283 -0.0066 -0.0041 2560 ILE 100 HD12 0.0252 -0.0067 -0.0036 2561 ILE 100 HD13 0.0254 -0.0071 -0.0064 2562 ASN 101 N 0.0188 -0.0081 -0.0113 2563 ASN 101 CA 0.0166 -0.0084 -0.0126 2564 ASN 101 C 0.0166 -0.0082 -0.0110 2565 ASN 101 O 0.0182 -0.0078 -0.0090 2566 ASN 101 CB 0.0136 -0.0085 -0.0126 2567 ASN 101 CG 0.0120 -0.0082 -0.0098 2568 ASN 101 OD1 0.0130 -0.0078 -0.0075 2569 ASN 101 ND2 0.0094 -0.0083 -0.0098 2570 ASN 101 H 0.0181 -0.0079 -0.0096 2571 ASN 101 HA 0.0172 -0.0087 -0.0148 2572 ASN 101 HB3 0.0139 -0.0087 -0.0135 2573 ASN 101 HB2 0.0122 -0.0088 -0.0140 2574 ASN 101 HD22 0.0081 -0.0081 -0.0081 2575 ASN 101 HD21 0.0086 -0.0086 -0.0117 2576 ALA 102 N 0.0097 -0.0104 -0.0174 2577 ALA 102 CA 0.0070 -0.0092 -0.0093 2578 ALA 102 C 0.0040 -0.0075 0.0050 2579 ALA 102 O 0.0081 -0.0075 0.0137 2580 ALA 102 CB -0.0043 -0.0078 -0.0155 2581 ALA 102 H 0.0042 -0.0101 -0.0255 2582 ALA 102 HA 0.0155 -0.0107 -0.0093 2583 ALA 102 HB1 -0.0065 -0.0070 -0.0100 2584 ALA 102 HB2 -0.0022 -0.0090 -0.0254 2585 ALA 102 HB3 -0.0131 -0.0063 -0.0157 2586 ASP 103 N -0.0027 -0.0062 0.0070 2587 ASP 103 CA -0.0066 -0.0045 0.0197 2588 ASP 103 C 0.0047 -0.0058 0.0274 2589 ASP 103 O 0.0031 -0.0046 0.0386 2590 ASP 103 CB -0.0178 -0.0026 0.0188 2591 ASP 103 CG -0.0289 -0.0015 0.0094 2592 ASP 103 OD1 -0.0324 -0.0010 0.0084 2593 ASP 103 OD2 -0.0342 -0.0011 0.0037 2594 ASP 103 H -0.0062 -0.0063 -0.0007 2595 ASP 103 HA -0.0099 -0.0034 0.0255 2596 ASP 103 HB3 -0.0221 -0.0011 0.0284 2597 ASP 103 HB2 -0.0140 -0.0035 0.0161 2598 GLY 104 N 0.0108 -0.0099 0.0078 2599 GLY 104 CA 0.0190 -0.0117 0.0115 2600 GLY 104 C 0.0208 -0.0119 0.0111 2601 GLY 104 O 0.0267 -0.0134 0.0153 2602 GLY 104 H 0.0108 -0.0090 0.0015 2603 GLY 104 HA3 0.0192 -0.0126 0.0182 2604 GLY 104 HA2 0.0241 -0.0120 0.0080 2605 ASN 105 N 0.0157 -0.0104 0.0062 2606 ASN 105 CA 0.0166 -0.0104 0.0051 2607 ASN 105 C 0.0219 -0.0101 -0.0031 2608 ASN 105 O 0.0221 -0.0094 -0.0090 2609 ASN 105 CB 0.0075 -0.0089 0.0045 2610 ASN 105 CG 0.0022 -0.0092 0.0129 2611 ASN 105 OD1 -0.0040 -0.0083 0.0136 2612 ASN 105 ND2 0.0044 -0.0104 0.0195 2613 ASN 105 H 0.0115 -0.0092 0.0023 2614 ASN 105 HA 0.0198 -0.0117 0.0107 2615 ASN 105 HB3 0.0082 -0.0087 0.0024 2616 ASN 105 HB2 0.0038 -0.0077 -0.0004 2617 ASN 105 HD22 0.0005 -0.0105 0.0247 2618 ASN 105 HD21 0.0091 -0.0111 0.0188 2619 VAL 106 N 0.0170 -0.0035 -0.0007 2620 VAL 106 CA 0.0171 -0.0061 -0.0037 2621 VAL 106 C 0.0134 -0.0072 -0.0061 2622 VAL 106 O 0.0100 -0.0059 -0.0056 2623 VAL 106 CB 0.0170 -0.0056 -0.0032 2624 VAL 106 CG1 0.0169 -0.0082 -0.0063 2625 VAL 106 CG2 0.0205 -0.0043 -0.0006 2626 VAL 106 H 0.0154 -0.0018 0.0009 2627 VAL 106 HA 0.0199 -0.0075 -0.0047 2628 VAL 106 HB 0.0141 -0.0041 -0.0022 2629 VAL 106 HG11 0.0171 -0.0078 -0.0057 2630 VAL 106 HG12 0.0141 -0.0089 -0.0080 2631 VAL 106 HG13 0.0195 -0.0098 -0.0075 2632 VAL 106 HG21 0.0202 -0.0037 -0.0001 2633 VAL 106 HG22 0.0234 -0.0057 -0.0015 2634 VAL 106 HG23 0.0207 -0.0025 0.0016 2635 ASP 107 N 0.0141 -0.0096 -0.0088 2636 ASP 107 CA 0.0111 -0.0112 -0.0116 2637 ASP 107 C 0.0109 -0.0129 -0.0137 2638 ASP 107 O 0.0141 -0.0143 -0.0144 2639 ASP 107 CB 0.0120 -0.0131 -0.0136 2640 ASP 107 CG 0.0087 -0.0148 -0.0165 2641 ASP 107 OD1 0.0052 -0.0141 -0.0167 2642 ASP 107 OD2 0.0098 -0.0168 -0.0186 2643 ASP 107 H 0.0171 -0.0106 -0.0091 2644 ASP 107 HA 0.0081 -0.0098 -0.0108 2645 ASP 107 HB3 0.0150 -0.0145 -0.0144 2646 ASP 107 HB2 0.0122 -0.0119 -0.0120 2647 TYR 108 N -0.0034 -0.0088 -0.0068 2648 TYR 108 CA -0.0149 -0.0189 -0.0165 2649 TYR 108 C -0.0189 -0.0347 -0.0239 2650 TYR 108 O -0.0264 -0.0457 -0.0317 2651 TYR 108 CB -0.0305 -0.0058 -0.0208 2652 TYR 108 CG -0.0419 0.0024 -0.0245 2653 TYR 108 CD1 -0.0399 0.0190 -0.0179 2654 TYR 108 CD2 -0.0547 -0.0067 -0.0346 2655 TYR 108 CE1 -0.0507 0.0266 -0.0214 2656 TYR 108 CE2 -0.0653 0.0007 -0.0381 2657 TYR 108 CZ -0.0633 0.0174 -0.0314 2658 TYR 108 OH -0.0734 0.0244 -0.0347 2659 TYR 108 H -0.0078 -0.0006 -0.0065 2660 TYR 108 HA -0.0092 -0.0249 -0.0153 2661 TYR 108 HB3 -0.0268 0.0049 -0.0152 2662 TYR 108 HB2 -0.0378 -0.0130 -0.0273 2663 TYR 108 HD1 -0.0302 0.0262 -0.0101 2664 TYR 108 HD2 -0.0563 -0.0195 -0.0397 2665 TYR 108 HE1 -0.0491 0.0393 -0.0163 2666 TYR 108 HE2 -0.0749 -0.0065 -0.0458 2667 TYR 108 HH -0.0761 0.0152 -0.0393 2668 HIS 109 N -0.0141 -0.0359 -0.0216 2669 HIS 109 CA -0.0165 -0.0510 -0.0280 2670 HIS 109 C -0.0043 -0.0680 -0.0268 2671 HIS 109 O -0.0078 -0.0828 -0.0336 2672 HIS 109 CB -0.0154 -0.0461 -0.0258 2673 HIS 109 CG -0.0271 -0.0296 -0.0268 2674 HIS 109 ND1 -0.0220 -0.0131 -0.0185 2675 HIS 109 CD2 -0.0437 -0.0268 -0.0351 2676 HIS 109 CE1 -0.0351 -0.0013 -0.0219 2677 HIS 109 NE2 -0.0488 -0.0087 -0.0320 2678 HIS 109 H -0.0079 -0.0265 -0.0151 2679 HIS 109 HA -0.0289 -0.0542 -0.0359 2680 HIS 109 HB3 -0.0178 -0.0573 -0.0308 2681 HIS 109 HB2 -0.0029 -0.0439 -0.0181 2682 HIS 109 HD1 -0.0104 -0.0105 -0.0112 2683 HIS 109 HD2 -0.0524 -0.0362 -0.0430 2684 HIS 109 HE1 -0.0347 0.0128 -0.0170 2685 MET 110 N 0.0105 -0.0261 -0.0158 2686 MET 110 CA 0.0095 -0.0235 -0.0168 2687 MET 110 C 0.0091 -0.0211 -0.0158 2688 MET 110 O 0.0094 -0.0217 -0.0147 2689 MET 110 CB 0.0089 -0.0238 -0.0200 2690 MET 110 CG 0.0093 -0.0260 -0.0211 2691 MET 110 SD 0.0094 -0.0255 -0.0203 2692 MET 110 CE 0.0081 -0.0227 -0.0225 2693 MET 110 H 0.0105 -0.0269 -0.0168 2694 MET 110 HA 0.0096 -0.0231 -0.0160 2695 MET 110 HB3 0.0082 -0.0218 -0.0208 2696 MET 110 HB2 0.0089 -0.0241 -0.0209 2697 MET 110 HG3 0.0089 -0.0263 -0.0234 2698 MET 110 HG2 0.0100 -0.0280 -0.0204 2699 MET 110 HE1 0.0080 -0.0223 -0.0225 2700 MET 110 HE2 0.0078 -0.0233 -0.0246 2701 MET 110 HE3 0.0077 -0.0208 -0.0218 2702 ASN 111 N 0.0083 -0.0186 -0.0160 2703 ASN 111 CA 0.0078 -0.0161 -0.0150 2704 ASN 111 C 0.0068 -0.0141 -0.0173 2705 ASN 111 O 0.0063 -0.0133 -0.0184 2706 ASN 111 CB 0.0080 -0.0147 -0.0124 2707 ASN 111 CG 0.0090 -0.0161 -0.0097 2708 ASN 111 OD1 0.0091 -0.0151 -0.0076 2709 ASN 111 ND2 0.0096 -0.0185 -0.0095 2710 ASN 111 H 0.0080 -0.0182 -0.0168 2711 ASN 111 HA 0.0081 -0.0167 -0.0145 2712 ASN 111 HB3 0.0075 -0.0127 -0.0120 2713 ASN 111 HB2 0.0077 -0.0142 -0.0128 2714 ASN 111 HD22 0.0103 -0.0194 -0.0077 2715 ASN 111 HD21 0.0096 -0.0194 -0.0112 2716 SER 112 N 0.0128 -0.0022 -0.0095 2717 SER 112 CA 0.0111 -0.0012 -0.0102 2718 SER 112 C 0.0094 -0.0005 -0.0086 2719 SER 112 O 0.0088 -0.0003 -0.0084 2720 SER 112 CB 0.0106 -0.0006 -0.0124 2721 SER 112 OG 0.0119 -0.0011 -0.0141 2722 SER 112 H 0.0129 -0.0022 -0.0099 2723 SER 112 HA 0.0114 -0.0013 -0.0103 2724 SER 112 HB3 0.0092 0.0002 -0.0128 2725 SER 112 HB2 0.0107 -0.0007 -0.0124 2726 SER 112 HG 0.0130 -0.0016 -0.0142 2727 VAL 113 N 0.0086 -0.0003 -0.0075 2728 VAL 113 CA 0.0069 0.0004 -0.0061 2729 VAL 113 C 0.0053 0.0013 -0.0068 2730 VAL 113 O 0.0057 0.0012 -0.0076 2731 VAL 113 CB 0.0073 -0.0002 -0.0037 2732 VAL 113 CG1 0.0086 -0.0010 -0.0028 2733 VAL 113 CG2 0.0081 -0.0006 -0.0035 2734 VAL 113 H 0.0091 -0.0005 -0.0078 2735 VAL 113 HA 0.0064 0.0006 -0.0060 2736 VAL 113 HB 0.0059 0.0004 -0.0028 2737 VAL 113 HG11 0.0089 -0.0013 -0.0011 2738 VAL 113 HG12 0.0080 -0.0007 -0.0028 2739 VAL 113 HG13 0.0100 -0.0016 -0.0037 2740 VAL 113 HG21 0.0085 -0.0010 -0.0018 2741 VAL 113 HG22 0.0093 -0.0011 -0.0045 2742 VAL 113 HG23 0.0070 0.0000 -0.0038 2743 PRO 114 N 0.0028 0.0047 -0.0027 2744 PRO 114 CA 0.0008 0.0052 -0.0030 2745 PRO 114 C 0.0001 0.0059 -0.0011 2746 PRO 114 O 0.0005 0.0063 0.0004 2747 PRO 114 CB -0.0002 0.0052 -0.0035 2748 PRO 114 CG 0.0011 0.0052 -0.0025 2749 PRO 114 CD 0.0031 0.0047 -0.0026 2750 PRO 114 HA 0.0005 0.0048 -0.0041 2751 PRO 114 HB3 -0.0003 0.0047 -0.0050 2752 PRO 114 HB2 -0.0017 0.0057 -0.0031 2753 PRO 114 HG3 0.0010 0.0050 -0.0032 2754 PRO 114 HG2 0.0008 0.0058 -0.0011 2755 PRO 114 HD2 0.0040 0.0049 -0.0013 2756 PRO 114 HD3 0.0039 0.0041 -0.0038 2757 ILE 115 N -0.0010 0.0061 -0.0013 2758 ILE 115 CA -0.0020 0.0069 0.0003 2759 ILE 115 C -0.0039 0.0073 0.0003 2760 ILE 115 O -0.0049 0.0071 -0.0012 2761 ILE 115 CB -0.0026 0.0069 -0.0001 2762 ILE 115 CG1 -0.0007 0.0064 -0.0003 2763 ILE 115 CG2 -0.0038 0.0077 0.0015 2764 ILE 115 CD1 -0.0012 0.0063 -0.0009 2765 ILE 115 H -0.0014 0.0058 -0.0026 2766 ILE 115 HA -0.0011 0.0071 0.0016 2767 ILE 115 HB -0.0035 0.0067 -0.0014 2768 ILE 115 HG13 0.0001 0.0058 -0.0013 2769 ILE 115 HG12 0.0002 0.0066 0.0010 2770 ILE 115 HG21 -0.0043 0.0077 0.0012 2771 ILE 115 HG22 -0.0051 0.0081 0.0017 2772 ILE 115 HG23 -0.0029 0.0079 0.0029 2773 ILE 115 HD11 0.0000 0.0059 -0.0012 2774 ILE 115 HD12 -0.0023 0.0062 -0.0021 2775 ILE 115 HD13 -0.0019 0.0068 0.0002 2776 GLN 116 N -0.0095 0.0082 0.0011 2777 GLN 116 CA -0.0101 0.0077 0.0009 2778 GLN 116 C -0.0097 0.0067 0.0014 2779 GLN 116 O -0.0095 0.0063 0.0017 2780 GLN 116 CB -0.0110 0.0075 0.0004 2781 GLN 116 CG -0.0113 0.0085 -0.0000 2782 GLN 116 CD -0.0122 0.0085 -0.0006 2783 GLN 116 OE1 -0.0129 0.0080 -0.0008 2784 GLN 116 NE2 -0.0124 0.0092 -0.0009 2785 GLN 116 H -0.0095 0.0079 0.0012 2786 GLN 116 HA -0.0101 0.0081 0.0008 2787 GLN 116 HB3 -0.0114 0.0072 0.0003 2788 GLN 116 HB2 -0.0111 0.0070 0.0005 2789 GLN 116 HG3 -0.0113 0.0085 -0.0000 2790 GLN 116 HG2 -0.0109 0.0091 0.0000 2791 GLN 116 HE22 -0.0130 0.0093 -0.0012 2792 GLN 116 HE21 -0.0119 0.0097 -0.0007 2793 GLN 117 N -0.0097 0.0064 0.0015 2794 GLN 117 CA -0.0094 0.0056 0.0019 2795 GLN 117 C -0.0101 0.0050 0.0017 2796 GLN 117 O -0.0105 0.0054 0.0013 2797 GLN 117 CB -0.0086 0.0059 0.0023 2798 GLN 117 CG -0.0080 0.0050 0.0028 2799 GLN 117 CD -0.0078 0.0045 0.0031 2800 GLN 117 OE1 -0.0081 0.0037 0.0031 2801 GLN 117 NE2 -0.0071 0.0049 0.0034 2802 GLN 117 H -0.0099 0.0068 0.0012 2803 GLN 117 HA -0.0092 0.0052 0.0021 2804 GLN 117 HB3 -0.0088 0.0062 0.0021 2805 GLN 117 HB2 -0.0081 0.0064 0.0024 2806 GLN 117 HG3 -0.0084 0.0045 0.0027 2807 GLN 117 HG2 -0.0075 0.0053 0.0031 2808 GLN 117 HE22 -0.0069 0.0045 0.0036 2809 GLN 117 HE21 -0.0068 0.0055 0.0034 2810 GLU 118 N -0.0079 -0.0001 -0.0029 2811 GLU 118 CA -0.0069 -0.0016 -0.0038 2812 GLU 118 C -0.0045 -0.0022 -0.0025 2813 GLU 118 O -0.0034 -0.0028 -0.0024 2814 GLU 118 CB -0.0073 -0.0032 -0.0059 2815 GLU 118 CG -0.0096 -0.0029 -0.0074 2816 GLU 118 CD -0.0098 -0.0047 -0.0095 2817 GLU 118 OE1 -0.0085 -0.0061 -0.0100 2818 GLU 118 OE2 -0.0110 -0.0049 -0.0107 2819 GLU 118 H -0.0079 -0.0004 -0.0033 2820 GLU 118 HA -0.0075 -0.0011 -0.0038 2821 GLU 118 HB3 -0.0061 -0.0045 -0.0063 2822 GLU 118 HB2 -0.0072 -0.0034 -0.0060 2823 GLU 118 HG3 -0.0108 -0.0020 -0.0073 2824 GLU 118 HG2 -0.0099 -0.0024 -0.0070 2825 ILE 119 N -0.0036 -0.0019 -0.0016 2826 ILE 119 CA -0.0013 -0.0025 -0.0004 2827 ILE 119 C -0.0004 -0.0039 -0.0012 2828 ILE 119 O -0.0016 -0.0039 -0.0022 2829 ILE 119 CB -0.0008 -0.0009 0.0018 2830 ILE 119 CG1 -0.0016 0.0002 0.0023 2831 ILE 119 CG2 -0.0014 0.0004 0.0027 2832 ILE 119 CD1 -0.0003 0.0012 0.0044 2833 ILE 119 H -0.0045 -0.0015 -0.0018 2834 ILE 119 HA -0.0004 -0.0033 -0.0006 2835 ILE 119 HB 0.0010 -0.0015 0.0025 2836 ILE 119 HG13 -0.0016 -0.0007 0.0014 2837 ILE 119 HG12 -0.0033 0.0012 0.0020 2838 ILE 119 HG21 -0.0008 0.0014 0.0043 2839 ILE 119 HG22 -0.0007 -0.0004 0.0024 2840 ILE 119 HG23 -0.0031 0.0011 0.0022 2841 ILE 119 HD11 -0.0013 0.0023 0.0049 2842 ILE 119 HD12 0.0011 0.0002 0.0045 2843 ILE 119 HD13 0.0002 0.0018 0.0055 2844 LEU 120 N 0.0060 -0.0053 0.0007 2845 LEU 120 CA 0.0064 -0.0063 0.0003 2846 LEU 120 C 0.0068 -0.0057 0.0011 2847 LEU 120 O 0.0072 -0.0049 0.0021 2848 LEU 120 CB 0.0073 -0.0075 0.0005 2849 LEU 120 CG 0.0070 -0.0082 -0.0004 2850 LEU 120 CD1 0.0080 -0.0094 -0.0001 2851 LEU 120 CD2 0.0061 -0.0088 -0.0017 2852 LEU 120 H 0.0066 -0.0051 0.0014 2853 LEU 120 HA 0.0057 -0.0065 -0.0005 2854 LEU 120 HB3 0.0077 -0.0082 0.0004 2855 LEU 120 HB2 0.0080 -0.0072 0.0013 2856 LEU 120 HG 0.0066 -0.0075 -0.0003 2857 LEU 120 HD11 0.0078 -0.0096 -0.0005 2858 LEU 120 HD12 0.0087 -0.0091 0.0008 2859 LEU 120 HD13 0.0083 -0.0103 -0.0004 2860 LEU 120 HD21 0.0061 -0.0095 -0.0022 2861 LEU 120 HD22 0.0063 -0.0092 -0.0018 2862 LEU 120 HD23 0.0053 -0.0080 -0.0020 2863 VAL 121 N 0.0067 -0.0062 0.0007 2864 VAL 121 CA 0.0072 -0.0060 0.0013 2865 VAL 121 C 0.0076 -0.0073 0.0008 2866 VAL 121 O 0.0071 -0.0081 -0.0002 2867 VAL 121 CB 0.0063 -0.0049 0.0012 2868 VAL 121 CG1 0.0059 -0.0035 0.0018 2869 VAL 121 CG2 0.0053 -0.0051 -0.0000 2870 VAL 121 H 0.0063 -0.0068 -0.0002 2871 VAL 121 HA 0.0079 -0.0058 0.0022 2872 VAL 121 HB 0.0067 -0.0048 0.0017 2873 VAL 121 HG11 0.0053 -0.0027 0.0017 2874 VAL 121 HG12 0.0066 -0.0033 0.0027 2875 VAL 121 HG13 0.0055 -0.0035 0.0013 2876 VAL 121 HG21 0.0047 -0.0043 -0.0001 2877 VAL 121 HG22 0.0048 -0.0053 -0.0006 2878 VAL 121 HG23 0.0055 -0.0060 -0.0004 2879 LEU 122 N 0.0108 -0.0055 0.0023 2880 LEU 122 CA 0.0103 -0.0063 0.0021 2881 LEU 122 C 0.0099 -0.0062 0.0012 2882 LEU 122 O 0.0100 -0.0057 0.0011 2883 LEU 122 CB 0.0104 -0.0068 0.0027 2884 LEU 122 CG 0.0107 -0.0070 0.0036 2885 LEU 122 CD1 0.0108 -0.0074 0.0041 2886 LEU 122 CD2 0.0106 -0.0076 0.0037 2887 LEU 122 H 0.0109 -0.0052 0.0024 2888 LEU 122 HA 0.0102 -0.0067 0.0022 2889 LEU 122 HB3 0.0100 -0.0074 0.0024 2890 LEU 122 HB2 0.0105 -0.0064 0.0026 2891 LEU 122 HG 0.0111 -0.0064 0.0038 2892 LEU 122 HD11 0.0111 -0.0075 0.0047 2893 LEU 122 HD12 0.0110 -0.0069 0.0040 2894 LEU 122 HD13 0.0105 -0.0079 0.0039 2895 LEU 122 HD21 0.0108 -0.0077 0.0044 2896 LEU 122 HD22 0.0102 -0.0082 0.0036 2897 LEU 122 HD23 0.0105 -0.0074 0.0034 2898 ARG 123 N 0.0095 -0.0066 0.0007 2899 ARG 123 CA 0.0091 -0.0067 -0.0001 2900 ARG 123 C 0.0087 -0.0076 -0.0001 2901 ARG 123 O 0.0087 -0.0081 0.0003 2902 ARG 123 CB 0.0089 -0.0064 -0.0007 2903 ARG 123 CG 0.0085 -0.0065 -0.0016 2904 ARG 123 CD 0.0083 -0.0060 -0.0023 2905 ARG 123 NE 0.0087 -0.0051 -0.0022 2906 ARG 123 CZ 0.0089 -0.0045 -0.0023 2907 ARG 123 NH1 0.0088 -0.0046 -0.0026 2908 ARG 123 NH2 0.0093 -0.0038 -0.0021 2909 ARG 123 H 0.0094 -0.0070 0.0009 2910 ARG 123 HA 0.0092 -0.0063 -0.0002 2911 ARG 123 HB3 0.0088 -0.0068 -0.0006 2912 ARG 123 HB2 0.0092 -0.0058 -0.0007 2913 ARG 123 HG3 0.0085 -0.0063 -0.0016 2914 ARG 123 HG2 0.0081 -0.0071 -0.0017 2915 ARG 123 HD3 0.0080 -0.0060 -0.0029 2916 ARG 123 HD2 0.0081 -0.0063 -0.0024 2917 ARG 123 HH22 0.0095 -0.0033 -0.0022 2918 ARG 123 HH21 0.0095 -0.0037 -0.0019 2919 ARG 123 HH12 0.0090 -0.0041 -0.0026 2920 ARG 123 HH11 0.0085 -0.0051 -0.0027 2921 ARG 123 HE 0.0089 -0.0050 -0.0020 2922 ARG 124 N 0.0104 -0.0067 0.0006 2923 ARG 124 CA 0.0079 -0.0066 0.0005 2924 ARG 124 C 0.0060 -0.0075 0.0020 2925 ARG 124 O 0.0056 -0.0074 0.0017 2926 ARG 124 CB 0.0070 -0.0050 -0.0017 2927 ARG 124 CG 0.0088 -0.0040 -0.0032 2928 ARG 124 CD 0.0079 -0.0024 -0.0055 2929 ARG 124 NE 0.0099 -0.0015 -0.0069 2930 ARG 124 CZ 0.0109 -0.0014 -0.0071 2931 ARG 124 NH1 0.0100 -0.0022 -0.0060 2932 ARG 124 NH2 0.0129 -0.0005 -0.0085 2933 ARG 124 H 0.0110 -0.0058 -0.0008 2934 ARG 124 HA 0.0082 -0.0070 0.0011 2935 ARG 124 HB3 0.0051 -0.0049 -0.0018 2936 ARG 124 HB2 0.0068 -0.0046 -0.0023 2937 ARG 124 HG3 0.0108 -0.0041 -0.0032 2938 ARG 124 HG2 0.0089 -0.0045 -0.0026 2939 ARG 124 HD3 0.0063 -0.0023 -0.0056 2940 ARG 124 HD2 0.0071 -0.0020 -0.0060 2941 ARG 124 HH22 0.0137 -0.0003 -0.0088 2942 ARG 124 HH21 0.0136 -0.0000 -0.0092 2943 ARG 124 HH12 0.0107 -0.0022 -0.0060 2944 ARG 124 HH11 0.0085 -0.0028 -0.0050 2945 ARG 124 HE 0.0106 -0.0008 -0.0079 2946 GLU 125 N 0.0047 -0.0085 0.0034 2947 GLU 125 CA 0.0027 -0.0094 0.0048 2948 GLU 125 C 0.0007 -0.0095 0.0050 2949 GLU 125 O 0.0013 -0.0102 0.0059 2950 GLU 125 CB 0.0038 -0.0109 0.0069 2951 GLU 125 CG 0.0018 -0.0119 0.0085 2952 GLU 125 CD 0.0028 -0.0134 0.0105 2953 GLU 125 OE1 0.0045 -0.0133 0.0104 2954 GLU 125 OE2 0.0020 -0.0146 0.0122 2955 GLU 125 H 0.0050 -0.0086 0.0035 2956 GLU 125 HA 0.0019 -0.0089 0.0041 2957 GLU 125 HB3 0.0049 -0.0114 0.0076 2958 GLU 125 HB2 0.0052 -0.0108 0.0066 2959 GLU 125 HG3 0.0007 -0.0114 0.0077 2960 GLU 125 HG2 0.0004 -0.0122 0.0089 2961 PRO 126 N -0.0099 -0.0076 0.0095 2962 PRO 126 CA -0.0106 -0.0068 0.0080 2963 PRO 126 C -0.0076 -0.0056 0.0024 2964 PRO 126 O -0.0059 -0.0049 -0.0006 2965 PRO 126 CB -0.0169 -0.0047 0.0082 2966 PRO 126 CG -0.0190 -0.0035 0.0071 2967 PRO 126 CD -0.0151 -0.0059 0.0098 2968 PRO 126 HA -0.0092 -0.0085 0.0111 2969 PRO 126 HB3 -0.0186 -0.0057 0.0123 2970 PRO 126 HB2 -0.0182 -0.0031 0.0054 2971 PRO 126 HG3 -0.0233 -0.0027 0.0086 2972 PRO 126 HG2 -0.0185 -0.0020 0.0028 2973 PRO 126 HD2 -0.0148 -0.0053 0.0079 2974 PRO 126 HD3 -0.0167 -0.0071 0.0141 2975 PRO 127 N -0.0069 -0.0053 0.0011 2976 PRO 127 CA -0.0046 -0.0039 -0.0043 2977 PRO 127 C -0.0073 -0.0012 -0.0089 2978 PRO 127 O -0.0123 0.0003 -0.0083 2979 PRO 127 CB -0.0053 -0.0038 -0.0041 2980 PRO 127 CG -0.0054 -0.0061 0.0018 2981 PRO 127 CD -0.0085 -0.0061 0.0046 2982 PRO 127 HA -0.0002 -0.0053 -0.0047 2983 PRO 127 HB3 -0.0020 -0.0039 -0.0067 2984 PRO 127 HB2 -0.0092 -0.0019 -0.0056 2985 PRO 127 HG3 -0.0012 -0.0079 0.0028 2986 PRO 127 HG2 -0.0074 -0.0058 0.0029 2987 PRO 127 HD2 -0.0129 -0.0047 0.0049 2988 PRO 127 HD3 -0.0074 -0.0081 0.0087 2989 HIS 128 N -0.0041 -0.0008 -0.0076 2990 HIS 128 CA -0.0052 0.0016 -0.0119 2991 HIS 128 C -0.0063 0.0016 -0.0113 2992 HIS 128 O -0.0073 0.0036 -0.0148 2993 HIS 128 CB -0.0094 0.0041 -0.0144 2994 HIS 128 CG -0.0090 0.0041 -0.0146 2995 HIS 128 ND1 -0.0044 0.0031 -0.0158 2996 HIS 128 CD2 -0.0126 0.0048 -0.0136 2997 HIS 128 CE1 -0.0054 0.0032 -0.0154 2998 HIS 128 NE2 -0.0103 0.0043 -0.0141 2999 HIS 128 H -0.0005 -0.0019 -0.0078 3000 HIS 128 HA -0.0017 0.0015 -0.0145 3001 HIS 128 HB3 -0.0094 0.0058 -0.0181 3002 HIS 128 HB2 -0.0131 0.0045 -0.0124 3003 HIS 128 HD1 -0.0008 0.0021 -0.0163 3004 HIS 128 HD2 -0.0166 0.0057 -0.0124 3005 HIS 128 HE1 -0.0025 0.0025 -0.0160 3006 SER 129 N -0.0060 -0.0005 -0.0069 3007 SER 129 CA -0.0068 -0.0006 -0.0059 3008 SER 129 C -0.0028 -0.0006 -0.0090 3009 SER 129 O 0.0017 -0.0023 -0.0087 3010 SER 129 CB -0.0068 -0.0031 -0.0005 3011 SER 129 OG -0.0076 -0.0032 0.0004 3012 SER 129 H -0.0053 -0.0020 -0.0041 3013 SER 129 HA -0.0107 0.0010 -0.0067 3014 SER 129 HB3 -0.0032 -0.0049 0.0007 3015 SER 129 HB2 -0.0098 -0.0031 0.0018 3016 SER 129 HG -0.0079 -0.0047 0.0039 3017 PRO 130 N -0.0068 0.0059 -0.0136 3018 PRO 130 CA -0.0027 0.0065 -0.0148 3019 PRO 130 C -0.0001 0.0040 -0.0108 3020 PRO 130 O 0.0042 0.0043 -0.0115 3021 PRO 130 CB -0.0055 0.0085 -0.0180 3022 PRO 130 CG -0.0112 0.0077 -0.0163 3023 PRO 130 CD -0.0121 0.0068 -0.0147 3024 PRO 130 HA 0.0005 0.0075 -0.0167 3025 PRO 130 HB3 -0.0053 0.0105 -0.0215 3026 PRO 130 HB2 -0.0037 0.0085 -0.0182 3027 PRO 130 HG3 -0.0140 0.0093 -0.0188 3028 PRO 130 HG2 -0.0116 0.0060 -0.0134 3029 PRO 130 HD2 -0.0149 0.0052 -0.0119 3030 PRO 130 HD3 -0.0136 0.0085 -0.0175 3031 ASN 131 N -0.0026 0.0017 -0.0067 3032 ASN 131 CA -0.0013 -0.0005 -0.0030 3033 ASN 131 C -0.0012 -0.0034 0.0018 3034 ASN 131 O -0.0002 -0.0053 0.0050 3035 ASN 131 CB -0.0048 -0.0003 -0.0032 3036 ASN 131 CG -0.0106 -0.0008 -0.0019 3037 ASN 131 OD1 -0.0126 -0.0013 -0.0011 3038 ASN 131 ND2 -0.0136 -0.0008 -0.0019 3039 ASN 131 H -0.0059 0.0015 -0.0062 3040 ASN 131 HA 0.0028 -0.0004 -0.0035 3041 ASN 131 HB3 -0.0046 0.0017 -0.0066 3042 ASN 131 HB2 -0.0031 -0.0017 -0.0010 3043 ASN 131 HD22 -0.0175 -0.0011 -0.0012 3044 ASN 131 HD21 -0.0121 -0.0004 -0.0026 3045 SER 132 N 0.0009 -0.0048 0.0027 3046 SER 132 CA 0.0008 -0.0065 0.0051 3047 SER 132 C 0.0023 -0.0067 0.0050 3048 SER 132 O 0.0016 -0.0057 0.0038 3049 SER 132 CB -0.0022 -0.0067 0.0062 3050 SER 132 OG -0.0039 -0.0058 0.0053 3051 SER 132 H 0.0003 -0.0039 0.0015 3052 SER 132 HA 0.0020 -0.0074 0.0061 3053 SER 132 HB3 -0.0031 -0.0065 0.0061 3054 SER 132 HB2 -0.0021 -0.0080 0.0081 3055 SER 132 HG -0.0034 -0.0063 0.0060 3056 PHE 133 N 0.0044 -0.0080 0.0063 3057 PHE 133 CA 0.0062 -0.0084 0.0064 3058 PHE 133 C 0.0064 -0.0101 0.0089 3059 PHE 133 O 0.0059 -0.0111 0.0105 3060 PHE 133 CB 0.0091 -0.0081 0.0053 3061 PHE 133 CG 0.0094 -0.0064 0.0028 3062 PHE 133 CD1 0.0088 -0.0059 0.0022 3063 PHE 133 CD2 0.0099 -0.0053 0.0010 3064 PHE 133 CE1 0.0089 -0.0043 -0.0001 3065 PHE 133 CE2 0.0100 -0.0037 -0.0013 3066 PHE 133 CZ 0.0095 -0.0033 -0.0018 3067 PHE 133 H 0.0049 -0.0087 0.0073 3068 PHE 133 HA 0.0053 -0.0076 0.0055 3069 PHE 133 HB3 0.0104 -0.0084 0.0054 3070 PHE 133 HB2 0.0100 -0.0089 0.0063 3071 PHE 133 HD1 0.0083 -0.0067 0.0035 3072 PHE 133 HD2 0.0102 -0.0056 0.0014 3073 PHE 133 HE1 0.0085 -0.0040 -0.0005 3074 PHE 133 HE2 0.0105 -0.0029 -0.0027 3075 PHE 133 HZ 0.0097 -0.0020 -0.0036 3076 ARG 134 N 0.0069 -0.0125 0.0037 3077 ARG 134 CA 0.0070 -0.0119 0.0036 3078 ARG 134 C 0.0067 -0.0118 0.0037 3079 ARG 134 O 0.0068 -0.0123 0.0037 3080 ARG 134 CB 0.0076 -0.0117 0.0035 3081 ARG 134 CG 0.0077 -0.0110 0.0034 3082 ARG 134 CD 0.0084 -0.0109 0.0032 3083 ARG 134 NE 0.0087 -0.0109 0.0032 3084 ARG 134 CZ 0.0088 -0.0104 0.0031 3085 ARG 134 NH1 0.0087 -0.0098 0.0031 3086 ARG 134 NH2 0.0091 -0.0105 0.0030 3087 ARG 134 H 0.0070 -0.0128 0.0036 3088 ARG 134 HA 0.0067 -0.0116 0.0037 3089 ARG 134 HB3 0.0079 -0.0120 0.0034 3090 ARG 134 HB2 0.0078 -0.0118 0.0034 3091 ARG 134 HG3 0.0075 -0.0107 0.0035 3092 ARG 134 HG2 0.0075 -0.0109 0.0035 3093 ARG 134 HD3 0.0084 -0.0105 0.0032 3094 ARG 134 HD2 0.0086 -0.0112 0.0032 3095 ARG 134 HH22 0.0095 -0.0103 0.0029 3096 ARG 134 HH21 0.0091 -0.0110 0.0030 3097 ARG 134 HH12 0.0088 -0.0095 0.0031 3098 ARG 134 HH11 0.0084 -0.0098 0.0032 3099 ARG 134 HE 0.0088 -0.0113 0.0031 3100 LEU 135 N 0.0065 -0.0113 0.0038 3101 LEU 135 CA 0.0064 -0.0112 0.0038 3102 LEU 135 C 0.0069 -0.0111 0.0036 3103 LEU 135 O 0.0073 -0.0108 0.0035 3104 LEU 135 CB 0.0060 -0.0106 0.0039 3105 LEU 135 CG 0.0054 -0.0106 0.0041 3106 LEU 135 CD1 0.0052 -0.0099 0.0041 3107 LEU 135 CD2 0.0050 -0.0109 0.0042 3108 LEU 135 H 0.0064 -0.0110 0.0038 3109 LEU 135 HA 0.0061 -0.0115 0.0039 3110 LEU 135 HB3 0.0061 -0.0104 0.0039 3111 LEU 135 HB2 0.0063 -0.0102 0.0038 3112 LEU 135 HG 0.0054 -0.0107 0.0041 3113 LEU 135 HD11 0.0047 -0.0099 0.0042 3114 LEU 135 HD12 0.0055 -0.0096 0.0040 3115 LEU 135 HD13 0.0051 -0.0097 0.0041 3116 LEU 135 HD21 0.0046 -0.0110 0.0043 3117 LEU 135 HD22 0.0050 -0.0107 0.0042 3118 LEU 135 HD23 0.0052 -0.0114 0.0041 3119 GLU 136 N 0.0087 -0.0098 -0.0013 3120 GLU 136 CA 0.0070 -0.0090 -0.0019 3121 GLU 136 C 0.0053 -0.0079 -0.0016 3122 GLU 136 O 0.0054 -0.0076 0.0000 3123 GLU 136 CB 0.0071 -0.0087 -0.0006 3124 GLU 136 CG 0.0064 -0.0086 -0.0019 3125 GLU 136 CD 0.0066 -0.0085 -0.0007 3126 GLU 136 OE1 0.0058 -0.0076 0.0010 3127 GLU 136 OE2 0.0074 -0.0091 -0.0015 3128 GLU 136 H 0.0088 -0.0095 0.0002 3129 GLU 136 HA 0.0070 -0.0093 -0.0035 3130 GLU 136 HB3 0.0063 -0.0079 0.0007 3131 GLU 136 HB2 0.0085 -0.0094 0.0002 3132 GLU 136 HG3 0.0072 -0.0094 -0.0032 3133 GLU 136 HG2 0.0050 -0.0080 -0.0025 3134 LYS 137 N 0.0039 -0.0074 -0.0031 3135 LYS 137 CA 0.0021 -0.0064 -0.0028 3136 LYS 137 C 0.0008 -0.0054 -0.0021 3137 LYS 137 O 0.0005 -0.0055 -0.0033 3138 LYS 137 CB 0.0013 -0.0063 -0.0048 3139 LYS 137 CG -0.0001 -0.0054 -0.0044 3140 LYS 137 CD -0.0018 -0.0049 -0.0061 3141 LYS 137 CE -0.0013 -0.0056 -0.0082 3142 LYS 137 NZ -0.0030 -0.0050 -0.0097 3143 LYS 137 H 0.0039 -0.0078 -0.0043 3144 LYS 137 HA 0.0024 -0.0062 -0.0015 3145 LYS 137 HB3 0.0007 -0.0063 -0.0059 3146 LYS 137 HB2 0.0024 -0.0071 -0.0055 3147 LYS 137 HG3 0.0005 -0.0057 -0.0041 3148 LYS 137 HG2 -0.0008 -0.0047 -0.0029 3149 LYS 137 HD3 -0.0028 -0.0041 -0.0055 3150 LYS 137 HD2 -0.0024 -0.0046 -0.0065 3151 LYS 137 HE3 -0.0002 -0.0064 -0.0089 3152 LYS 137 HE2 -0.0008 -0.0058 -0.0078 3153 LYS 137 HZ1 -0.0040 -0.0042 -0.0089 3154 LYS 137 HZ2 -0.0028 -0.0054 -0.0110 3155 LYS 137 HZ3 -0.0036 -0.0047 -0.0101 3156 ILE 138 N -0.0017 -0.0032 -0.0039 3157 ILE 138 CA -0.0035 -0.0020 -0.0028 3158 ILE 138 C -0.0049 -0.0015 -0.0028 3159 ILE 138 O -0.0043 -0.0020 -0.0032 3160 ILE 138 CB -0.0027 -0.0010 -0.0007 3161 ILE 138 CG1 -0.0012 -0.0006 0.0006 3162 ILE 138 CG2 -0.0015 -0.0014 -0.0008 3163 ILE 138 CD1 -0.0008 0.0006 0.0028 3164 ILE 138 H -0.0009 -0.0032 -0.0035 3165 ILE 138 HA -0.0045 -0.0022 -0.0036 3166 ILE 138 HB -0.0041 -0.0001 -0.0000 3167 ILE 138 HG13 -0.0020 -0.0004 0.0005 3168 ILE 138 HG12 0.0004 -0.0014 0.0001 3169 ILE 138 HG21 -0.0012 -0.0006 0.0007 3170 ILE 138 HG22 -0.0026 -0.0016 -0.0017 3171 ILE 138 HG23 -0.0000 -0.0022 -0.0013 3172 ILE 138 HD11 -0.0001 0.0009 0.0037 3173 ILE 138 HD12 -0.0024 0.0014 0.0033 3174 ILE 138 HD13 0.0002 0.0004 0.0031 3175 LEU 139 N -0.0069 -0.0006 -0.0022 3176 LEU 139 CA -0.0085 0.0001 -0.0020 3177 LEU 139 C -0.0086 0.0015 0.0002 3178 LEU 139 O -0.0088 0.0021 0.0011 3179 LEU 139 CB -0.0107 0.0000 -0.0032 3180 LEU 139 CG -0.0124 0.0004 -0.0036 3181 LEU 139 CD1 -0.0118 -0.0006 -0.0048 3182 LEU 139 CD2 -0.0146 0.0005 -0.0045 3183 LEU 139 H -0.0072 -0.0001 -0.0017 3184 LEU 139 HA -0.0080 -0.0004 -0.0025 3185 LEU 139 HB3 -0.0113 0.0007 -0.0025 3186 LEU 139 HB2 -0.0104 -0.0009 -0.0046 3187 LEU 139 HG -0.0127 0.0013 -0.0022 3188 LEU 139 HD11 -0.0131 -0.0009 -0.0060 3189 LEU 139 HD12 -0.0113 -0.0003 -0.0040 3190 LEU 139 HD13 -0.0105 -0.0015 -0.0056 3191 LEU 139 HD21 -0.0159 0.0006 -0.0049 3192 LEU 139 HD22 -0.0145 -0.0004 -0.0059 3193 LEU 139 HD23 -0.0152 0.0013 -0.0036 3194 VAL 140 N -0.0091 0.0079 0.0015 3195 VAL 140 CA -0.0088 0.0087 0.0018 3196 VAL 140 C -0.0086 0.0094 0.0020 3197 VAL 140 O -0.0083 0.0091 0.0023 3198 VAL 140 CB -0.0082 0.0085 0.0023 3199 VAL 140 CG1 -0.0084 0.0080 0.0021 3200 VAL 140 CG2 -0.0076 0.0079 0.0028 3201 VAL 140 H -0.0088 0.0076 0.0018 3202 VAL 140 HA -0.0092 0.0090 0.0014 3203 VAL 140 HB -0.0080 0.0091 0.0025 3204 VAL 140 HG11 -0.0080 0.0079 0.0024 3205 VAL 140 HG12 -0.0089 0.0083 0.0017 3206 VAL 140 HG13 -0.0086 0.0073 0.0019 3207 VAL 140 HG21 -0.0072 0.0077 0.0031 3208 VAL 140 HG22 -0.0078 0.0073 0.0026 3209 VAL 140 HG23 -0.0074 0.0084 0.0030 3210 SER 141 N -0.0087 0.0103 0.0020 3211 SER 141 CA -0.0085 0.0110 0.0022 3212 SER 141 C -0.0077 0.0113 0.0029 3213 SER 141 O -0.0076 0.0116 0.0030 3214 SER 141 CB -0.0090 0.0118 0.0018 3215 SER 141 OG -0.0097 0.0116 0.0012 3216 SER 141 H -0.0090 0.0104 0.0018 3217 SER 141 HA -0.0085 0.0108 0.0022 3218 SER 141 HB3 -0.0088 0.0124 0.0020 3219 SER 141 HB2 -0.0090 0.0121 0.0019 3220 SER 141 HG -0.0098 0.0113 0.0011 3221 VAL 142 N -0.0073 0.0083 0.0009 3222 VAL 142 CA -0.0075 0.0083 0.0004 3223 VAL 142 C -0.0061 0.0081 -0.0006 3224 VAL 142 O -0.0062 0.0081 -0.0012 3225 VAL 142 CB -0.0078 0.0084 0.0019 3226 VAL 142 CG1 -0.0094 0.0086 0.0027 3227 VAL 142 CG2 -0.0064 0.0082 0.0031 3228 VAL 142 H -0.0067 0.0082 0.0020 3229 VAL 142 HA -0.0085 0.0085 -0.0004 3230 VAL 142 HB -0.0078 0.0084 0.0014 3231 VAL 142 HG11 -0.0097 0.0087 0.0036 3232 VAL 142 HG12 -0.0104 0.0087 0.0018 3233 VAL 142 HG13 -0.0095 0.0086 0.0032 3234 VAL 142 HG21 -0.0067 0.0083 0.0042 3235 VAL 142 HG22 -0.0063 0.0082 0.0037 3236 VAL 142 HG23 -0.0053 0.0080 0.0027 3237 GLY 143 N -0.0048 0.0079 -0.0007 3238 GLY 143 CA -0.0033 0.0077 -0.0015 3239 GLY 143 C -0.0019 0.0076 -0.0008 3240 GLY 143 O -0.0022 0.0076 0.0002 3241 GLY 143 H -0.0047 0.0079 -0.0001 3242 GLY 143 HA3 -0.0030 0.0077 -0.0013 3243 GLY 143 HA2 -0.0034 0.0077 -0.0028 3244 CYS 144 N 0.0029 0.0036 -0.0045 3245 CYS 144 CA 0.0028 0.0030 -0.0041 3246 CYS 144 C 0.0029 0.0024 -0.0045 3247 CYS 144 O 0.0031 0.0024 -0.0051 3248 CYS 144 CB 0.0028 0.0029 -0.0037 3249 CYS 144 SG 0.0026 0.0035 -0.0032 3250 CYS 144 H 0.0029 0.0035 -0.0049 3251 CYS 144 HA 0.0027 0.0030 -0.0037 3252 CYS 144 HB3 0.0027 0.0024 -0.0034 3253 CYS 144 HB2 0.0028 0.0028 -0.0041 3254 THR 145 N 0.0029 0.0019 -0.0041 3255 THR 145 CA 0.0030 0.0013 -0.0044 3256 THR 145 C 0.0029 0.0007 -0.0040 3257 THR 145 O 0.0028 0.0008 -0.0034 3258 THR 145 CB 0.0030 0.0013 -0.0046 3259 THR 145 OG1 0.0032 0.0008 -0.0050 3260 THR 145 CG2 0.0029 0.0013 -0.0040 3261 THR 145 H 0.0028 0.0019 -0.0037 3262 THR 145 HA 0.0031 0.0012 -0.0049 3263 THR 145 HB 0.0031 0.0018 -0.0049 3264 THR 145 HG1 0.0032 0.0010 -0.0055 3265 THR 145 HG21 0.0029 0.0013 -0.0041 3266 THR 145 HG22 0.0028 0.0017 -0.0036 3267 THR 145 HG23 0.0029 0.0008 -0.0037 3268 CYS 146 N 0.0034 -0.0063 -0.0107 3269 CYS 146 CA 0.0038 -0.0068 -0.0104 3270 CYS 146 C 0.0040 -0.0070 -0.0097 3271 CYS 146 O 0.0041 -0.0071 -0.0098 3272 CYS 146 CB 0.0042 -0.0072 -0.0110 3273 CYS 146 SG 0.0048 -0.0078 -0.0107 3274 CYS 146 H 0.0034 -0.0064 -0.0110 3275 CYS 146 HA 0.0037 -0.0067 -0.0102 3276 CYS 146 HB3 0.0043 -0.0073 -0.0111 3277 CYS 146 HB2 0.0041 -0.0070 -0.0115 3278 VAL 147 N 0.0040 -0.0071 -0.0091 3279 VAL 147 CA 0.0042 -0.0073 -0.0085 3280 VAL 147 C 0.0046 -0.0078 -0.0082 3281 VAL 147 O 0.0047 -0.0078 -0.0083 3282 VAL 147 CB 0.0038 -0.0069 -0.0079 3283 VAL 147 CG1 0.0033 -0.0064 -0.0080 3284 VAL 147 CG2 0.0036 -0.0068 -0.0076 3285 VAL 147 H 0.0040 -0.0070 -0.0091 3286 VAL 147 HA 0.0043 -0.0074 -0.0086 3287 VAL 147 HB 0.0039 -0.0071 -0.0074 3288 VAL 147 HG11 0.0031 -0.0062 -0.0076 3289 VAL 147 HG12 0.0034 -0.0066 -0.0081 3290 VAL 147 HG13 0.0032 -0.0062 -0.0085 3291 VAL 147 HG21 0.0033 -0.0065 -0.0072 3292 VAL 147 HG22 0.0035 -0.0066 -0.0081 3293 VAL 147 HG23 0.0039 -0.0071 -0.0074 3294 THR 148 N -0.0001 -0.0141 -0.0102 3295 THR 148 CA 0.0013 -0.0149 -0.0092 3296 THR 148 C 0.0009 -0.0143 -0.0077 3297 THR 148 O -0.0001 -0.0133 -0.0069 3298 THR 148 CB 0.0021 -0.0153 -0.0083 3299 THR 148 OG1 0.0012 -0.0144 -0.0072 3300 THR 148 CG2 0.0026 -0.0160 -0.0097 3301 THR 148 H -0.0005 -0.0138 -0.0099 3302 THR 148 HA 0.0019 -0.0157 -0.0102 3303 THR 148 HB 0.0031 -0.0158 -0.0074 3304 THR 148 HG1 0.0010 -0.0140 -0.0063 3305 THR 148 HG21 0.0032 -0.0163 -0.0090 3306 THR 148 HG22 0.0033 -0.0168 -0.0105 3307 THR 148 HG23 0.0016 -0.0155 -0.0106 3308 PRO 149 N 0.0017 -0.0148 -0.0075 3309 PRO 149 CA 0.0015 -0.0143 -0.0061 3310 PRO 149 C 0.0019 -0.0141 -0.0042 3311 PRO 149 O 0.0028 -0.0147 -0.0039 3312 PRO 149 CB 0.0025 -0.0152 -0.0065 3313 PRO 149 CG 0.0037 -0.0163 -0.0074 3314 PRO 149 CD 0.0029 -0.0160 -0.0085 3315 PRO 149 HA 0.0003 -0.0135 -0.0063 3316 PRO 149 HB3 0.0019 -0.0149 -0.0074 3317 PRO 149 HB2 0.0029 -0.0152 -0.0053 3318 PRO 149 HG3 0.0042 -0.0169 -0.0082 3319 PRO 149 HG2 0.0046 -0.0167 -0.0064 3320 PRO 149 HD2 0.0037 -0.0166 -0.0087 3321 PRO 149 HD3 0.0024 -0.0159 -0.0098 3322 VAL 151 N -0.0127 -0.0067 0.0016 3323 VAL 151 CA -0.0089 -0.0079 0.0021 3324 VAL 151 C -0.0072 -0.0056 0.0055 3325 VAL 151 O -0.0080 -0.0037 0.0072 3326 VAL 151 CB -0.0068 -0.0100 0.0008 3327 VAL 151 CG1 -0.0027 -0.0113 0.0014 3328 VAL 151 CG2 -0.0085 -0.0123 -0.0025 3329 VAL 151 H -0.0131 -0.0059 0.0022 3330 VAL 151 HA -0.0087 -0.0090 0.0010 3331 VAL 151 HB -0.0071 -0.0089 0.0019 3332 VAL 151 HG11 -0.0014 -0.0128 0.0004 3333 VAL 151 HG12 -0.0012 -0.0098 0.0038 3334 VAL 151 HG13 -0.0021 -0.0123 0.0006 3335 VAL 151 HG21 -0.0071 -0.0137 -0.0034 3336 VAL 151 HG22 -0.0084 -0.0134 -0.0038 3337 VAL 151 HG23 -0.0114 -0.0114 -0.0030 3338 HIS 152 N -0.0048 -0.0059 0.0064 3339 HIS 152 CA -0.0027 -0.0041 0.0094 3340 HIS 152 C 0.0005 -0.0055 0.0094 3341 HIS 152 O 0.0002 -0.0074 0.0072 3342 HIS 152 CB -0.0051 -0.0012 0.0114 3343 HIS 152 CG -0.0073 -0.0012 0.0103 3344 HIS 152 ND1 -0.0103 -0.0021 0.0078 3345 HIS 152 CD2 -0.0069 -0.0004 0.0113 3346 HIS 152 CE1 -0.0116 -0.0019 0.0075 3347 HIS 152 NE2 -0.0097 -0.0008 0.0095 3348 HIS 152 H -0.0042 -0.0074 0.0049 3349 HIS 152 HA -0.0015 -0.0038 0.0104 3350 HIS 152 HB3 -0.0070 -0.0001 0.0116 3351 HIS 152 HB2 -0.0034 0.0000 0.0136 3352 HIS 152 HD1 -0.0113 -0.0029 0.0065 3353 HIS 152 HD2 -0.0050 0.0004 0.0132 3354 HIS 152 HE1 -0.0139 -0.0024 0.0057 3355 HIS 153 N -0.0116 0.0082 0.0001 3356 HIS 153 CA -0.0021 0.0065 -0.0029 3357 HIS 153 C 0.0129 0.0084 -0.0128 3358 HIS 153 O 0.0118 0.0165 -0.0214 3359 HIS 153 CB -0.0110 0.0155 -0.0085 3360 HIS 153 CG -0.0055 0.0131 -0.0086 3361 HIS 153 ND1 0.0094 0.0120 -0.0150 3362 HIS 153 CD2 -0.0133 0.0117 -0.0030 3363 HIS 153 CE1 0.0099 0.0098 -0.0129 3364 HIS 153 NE2 -0.0034 0.0096 -0.0057 3365 HIS 153 H -0.0141 0.0162 -0.0077 3366 HIS 153 HA 0.0004 -0.0023 0.0057 3367 HIS 153 HB3 -0.0109 0.0242 -0.0183 3368 HIS 153 HB2 -0.0232 0.0162 -0.0030 3369 HIS 153 HD1 0.0186 0.0126 -0.0204 3370 HIS 153 HD2 -0.0253 0.0122 0.0027 3371 HIS 153 HE1 0.0202 0.0085 -0.0167 3372 ALA 155 N 0.0024 0.0246 -0.0050 3373 ALA 155 CA -0.0066 0.0183 0.0030 3374 ALA 155 C -0.0213 0.0273 0.0027 3375 ALA 155 O -0.0270 0.0353 -0.0006 3376 ALA 155 CB -0.0093 0.0066 0.0122 3377 ALA 155 OXT -0.0263 0.0244 0.0067 3378 ALA 155 H -0.0009 0.0255 -0.0043 3379 ALA 155 HA -0.0008 0.0149 0.0030 3380 ALA 155 HB1 -0.0156 0.0014 0.0183 3381 ALA 155 HB2 0.0006 -0.0000 0.0128 3382 ALA 155 HB3 -0.0153 0.0093 0.0127 3383 ILE 150 N 0.0021 -0.0084 0.0023 3384 ILE 150 CA 0.0018 -0.0094 0.0037 3385 ILE 150 C 0.0011 -0.0105 0.0063 3386 ILE 150 O 0.0008 -0.0091 0.0078 3387 ILE 150 CB 0.0016 -0.0072 0.0043 3388 ILE 150 CG1 0.0022 -0.0063 0.0018 3389 ILE 150 CG2 0.0011 -0.0080 0.0063 3390 ILE 150 CD1 0.0022 -0.0038 0.0021 3391 ILE 150 H 0.0019 -0.0067 0.0031 3392 ILE 150 HA 0.0020 -0.0109 0.0027 3393 ILE 150 HB 0.0014 -0.0055 0.0051 3394 ILE 150 HG13 0.0026 -0.0059 0.0004 3395 ILE 150 HG12 0.0024 -0.0079 0.0011 3396 ILE 150 HG21 0.0007 -0.0084 0.0082 3397 ILE 150 HG22 0.0013 -0.0097 0.0057 3398 ILE 150 HG23 0.0010 -0.0064 0.0067 3399 ILE 150 HD11 0.0026 -0.0031 0.0003 3400 ILE 150 HD12 0.0020 -0.0022 0.0031 3401 ILE 150 HD13 0.0019 -0.0043 0.0032 3402 VAL 154 N -0.0185 0.0076 -0.0062 3403 VAL 154 CA -0.0057 0.0159 -0.0078 3404 VAL 154 C -0.0003 0.0172 -0.0064 3405 VAL 154 O -0.0052 0.0100 -0.0022 3406 VAL 154 CB 0.0039 0.0126 -0.0003 3407 VAL 154 CG1 0.0180 0.0203 -0.0007 3408 VAL 154 CG2 -0.0017 0.0115 -0.0019 3409 VAL 154 H -0.0178 0.0000 0.0011 3410 VAL 154 HA -0.0068 0.0237 -0.0154 3411 VAL 154 HB 0.0047 0.0047 0.0073 3412 VAL 154 HG11 0.0236 0.0200 0.0022 3413 VAL 154 HG12 0.0181 0.0286 -0.0083 3414 VAL 154 HG13 0.0236 0.0180 0.0040 3415 VAL 154 HG21 -0.0116 0.0059 -0.0014 3416 VAL 154 HG22 0.0045 0.0086 0.0037 3417 VAL 154 HG23 -0.0021 0.0193 -0.0093 3418 ASN 40 N -0.0228 0.0181 -0.0080 3419 ASN 40 CA -0.0235 -0.0045 -0.0220 3420 ASN 40 C -0.0265 0.0089 -0.0361 3421 ASN 40 O -0.0249 0.0191 -0.0214 3422 ASN 40 CB -0.0189 -0.0278 -0.0008 3423 ASN 40 CG -0.0164 -0.0486 0.0075 3424 ASN 40 OD1 -0.0184 -0.0523 -0.0072 3425 ASN 40 ND2 -0.0120 -0.0632 0.0310 3426 ASN 40 H1 -0.0210 0.0099 0.0007 3427 ASN 40 H2 -0.0258 0.0325 -0.0220 3428 ASN 40 HA -0.0255 -0.0144 -0.0388 3429 ASN 40 HB2 -0.0167 -0.0175 0.0183 3430 ASN 40 HB3 -0.0194 -0.0407 -0.0091 3431 ASN 40 HD22 -0.0103 -0.0770 0.0367 3432 ASN 40 HD21 -0.0103 -0.0599 0.0436 3433 ASP 65 N 0.0318 0.0113 0.0167 3434 ASP 65 CA 0.0237 0.0132 0.0205 3435 ASP 65 C 0.0161 0.0120 0.0139 3436 ASP 65 O 0.0086 0.0135 0.0166 3437 ASP 65 CB 0.0191 0.0156 0.0275 3438 ASP 65 CG 0.0250 0.0173 0.0356 3439 ASP 65 OD1 0.0314 0.0173 0.0379 3440 ASP 65 OD2 0.0221 0.0188 0.0399 3441 ASP 65 H 0.0342 0.0120 0.0200 3442 ASP 65 HA 0.0263 0.0139 0.0239 3443 ASP 65 HB2 0.0169 0.0149 0.0244 3444 ASP 65 HB3 0.0130 0.0169 0.0302