1 ASN 1 N 0.0013 -0.0079 0.0045 2 ASN 1 CA -0.0023 -0.0123 0.0032 3 ASN 1 C -0.0036 -0.0135 0.0054 4 ASN 1 O -0.0066 -0.0166 0.0079 5 ASN 1 CB -0.0024 -0.0134 -0.0028 6 ASN 1 CG -0.0061 -0.0178 -0.0043 7 ASN 1 OD1 -0.0063 -0.0187 -0.0091 8 ASN 1 ND2 -0.0087 -0.0204 -0.0012 9 ASN 1 H1 0.0022 -0.0072 0.0031 10 ASN 1 H2 0.0013 -0.0073 0.0085 11 ASN 1 HA -0.0040 -0.0139 0.0051 12 ASN 1 HB3 -0.0006 -0.0115 -0.0048 13 ASN 1 HB2 -0.0016 -0.0126 -0.0042 14 ASN 1 HD22 -0.0111 -0.0233 -0.0022 15 ASN 1 HD21 -0.0084 -0.0195 0.0025 16 LEU 2 N -0.0015 -0.0113 0.0042 17 LEU 2 CA -0.0024 -0.0120 0.0064 18 LEU 2 C -0.0013 -0.0099 0.0120 19 LEU 2 O -0.0020 -0.0103 0.0146 20 LEU 2 CB -0.0006 -0.0104 0.0028 21 LEU 2 CG -0.0022 -0.0130 -0.0023 22 LEU 2 CD1 0.0006 -0.0104 -0.0064 23 LEU 2 CD2 -0.0053 -0.0164 -0.0010 24 LEU 2 H 0.0007 -0.0090 0.0018 25 LEU 2 HA -0.0053 -0.0152 0.0066 26 LEU 2 HB3 -0.0004 -0.0098 0.0051 27 LEU 2 HB2 0.0021 -0.0074 0.0018 28 LEU 2 HG -0.0031 -0.0144 -0.0041 29 LEU 2 HD11 -0.0006 -0.0123 -0.0099 30 LEU 2 HD12 0.0027 -0.0081 -0.0074 31 LEU 2 HD13 0.0016 -0.0090 -0.0046 32 LEU 2 HD21 -0.0064 -0.0182 -0.0046 33 LEU 2 HD22 -0.0044 -0.0151 0.0009 34 LEU 2 HD23 -0.0073 -0.0183 0.0017 35 GLY 3 N 0.0031 -0.0015 0.0096 36 GLY 3 CA 0.0024 -0.0018 0.0081 37 GLY 3 C 0.0025 -0.0017 0.0074 38 GLY 3 O 0.0029 -0.0015 0.0083 39 GLY 3 H 0.0029 -0.0017 0.0105 40 GLY 3 HA3 0.0013 -0.0025 0.0082 41 GLY 3 HA2 0.0027 -0.0015 0.0072 42 LEU 4 N 0.0022 -0.0017 0.0058 43 LEU 4 CA 0.0023 -0.0016 0.0050 44 LEU 4 C 0.0009 -0.0025 0.0045 45 LEU 4 O 0.0000 -0.0030 0.0039 46 LEU 4 CB 0.0032 -0.0009 0.0036 47 LEU 4 CG 0.0037 -0.0005 0.0027 48 LEU 4 CD1 0.0046 0.0000 0.0038 49 LEU 4 CD2 0.0045 0.0002 0.0012 50 LEU 4 H 0.0019 -0.0019 0.0052 51 LEU 4 HA 0.0028 -0.0013 0.0058 52 LEU 4 HB3 0.0026 -0.0012 0.0027 53 LEU 4 HB2 0.0040 -0.0004 0.0039 54 LEU 4 HG 0.0028 -0.0010 0.0022 55 LEU 4 HD11 0.0049 0.0003 0.0032 56 LEU 4 HD12 0.0040 -0.0005 0.0048 57 LEU 4 HD13 0.0054 0.0005 0.0043 58 LEU 4 HD21 0.0048 0.0005 0.0006 59 LEU 4 HD22 0.0053 0.0007 0.0017 60 LEU 4 HD23 0.0038 -0.0002 0.0004 61 ASP 5 N 0.0043 -0.0001 0.0036 62 ASP 5 CA 0.0034 -0.0008 0.0032 63 ASP 5 C 0.0029 -0.0005 0.0023 64 ASP 5 O 0.0031 -0.0002 0.0022 65 ASP 5 CB 0.0031 -0.0017 0.0039 66 ASP 5 CG 0.0033 -0.0022 0.0047 67 ASP 5 OD1 0.0035 -0.0019 0.0046 68 ASP 5 OD2 0.0033 -0.0029 0.0054 69 ASP 5 H 0.0046 -0.0000 0.0038 70 ASP 5 HA 0.0032 -0.0009 0.0031 71 ASP 5 HB3 0.0025 -0.0021 0.0035 72 ASP 5 HB2 0.0034 -0.0016 0.0042 73 CYS 6 N 0.0022 -0.0006 0.0016 74 CYS 6 CA 0.0017 -0.0004 0.0007 75 CYS 6 C 0.0008 -0.0012 0.0004 76 CYS 6 O 0.0006 -0.0018 0.0007 77 CYS 6 CB 0.0019 0.0004 -0.0001 78 CYS 6 SG 0.0030 0.0014 0.0002 79 CYS 6 H 0.0021 -0.0009 0.0017 80 CYS 6 HA 0.0018 -0.0003 0.0007 81 CYS 6 HB3 0.0015 0.0006 -0.0007 82 CYS 6 HB2 0.0017 0.0003 -0.0002 83 ASP 7 N 0.0005 -0.0002 -0.0047 84 ASP 7 CA 0.0031 -0.0009 -0.0049 85 ASP 7 C 0.0028 -0.0007 -0.0029 86 ASP 7 O 0.0007 -0.0000 -0.0014 87 ASP 7 CB 0.0036 -0.0012 -0.0082 88 ASP 7 CG 0.0011 -0.0006 -0.0094 89 ASP 7 OD1 0.0006 -0.0004 -0.0086 90 ASP 7 OD2 -0.0005 -0.0002 -0.0113 91 ASP 7 H -0.0014 0.0004 -0.0052 92 ASP 7 HA 0.0050 -0.0014 -0.0042 93 ASP 7 HB3 0.0041 -0.0014 -0.0096 94 ASP 7 HB2 0.0056 -0.0017 -0.0082 95 GLU 8 N 0.0051 -0.0013 -0.0029 96 GLU 8 CA 0.0051 -0.0012 -0.0010 97 GLU 8 C 0.0026 -0.0006 -0.0017 98 GLU 8 O 0.0016 -0.0002 0.0004 99 GLU 8 CB 0.0080 -0.0021 -0.0011 100 GLU 8 CG 0.0093 -0.0026 -0.0042 101 GLU 8 CD 0.0105 -0.0030 -0.0054 102 GLU 8 OE1 0.0119 -0.0033 -0.0036 103 GLU 8 OE2 0.0098 -0.0029 -0.0080 104 GLU 8 H 0.0067 -0.0019 -0.0043 105 GLU 8 HA 0.0048 -0.0011 0.0013 106 GLU 8 HB3 0.0095 -0.0024 0.0004 107 GLU 8 HB2 0.0077 -0.0019 -0.0002 108 GLU 8 HG3 0.0110 -0.0031 -0.0042 109 GLU 8 HG2 0.0077 -0.0022 -0.0058 110 HIS 9 N 0.0020 -0.0023 -0.0052 111 HIS 9 CA -0.0027 -0.0013 -0.0051 112 HIS 9 C -0.0056 -0.0010 -0.0057 113 HIS 9 O -0.0085 -0.0020 -0.0084 114 HIS 9 CB -0.0040 -0.0028 -0.0080 115 HIS 9 CG -0.0012 -0.0029 -0.0073 116 HIS 9 ND1 -0.0015 -0.0010 -0.0041 117 HIS 9 CD2 0.0008 -0.0049 -0.0099 118 HIS 9 CE1 0.0009 -0.0017 -0.0045 119 HIS 9 NE2 0.0023 -0.0041 -0.0080 120 HIS 9 H 0.0036 -0.0041 -0.0074 121 HIS 9 HA -0.0030 0.0005 -0.0021 122 HIS 9 HB3 -0.0075 -0.0019 -0.0080 123 HIS 9 HB2 -0.0038 -0.0046 -0.0110 124 HIS 9 HD1 -0.0033 0.0007 -0.0019 125 HIS 9 HD2 0.0009 -0.0067 -0.0129 126 HIS 9 HE1 0.0013 -0.0004 -0.0021 127 SER 10 N -0.0044 0.0004 -0.0029 128 SER 10 CA -0.0068 0.0012 -0.0024 129 SER 10 C -0.0085 0.0040 0.0016 130 SER 10 O -0.0063 0.0051 0.0044 131 SER 10 CB -0.0036 0.0004 -0.0026 132 SER 10 OG -0.0049 0.0021 -0.0002 133 SER 10 H -0.0017 0.0010 -0.0009 134 SER 10 HA -0.0096 0.0004 -0.0047 135 SER 10 HB3 -0.0002 0.0002 -0.0016 136 SER 10 HB2 -0.0037 -0.0014 -0.0056 137 SER 10 HG -0.0029 0.0016 -0.0003 138 SER 11 N -0.0086 0.0003 0.0015 139 SER 11 CA -0.0089 0.0034 0.0018 140 SER 11 C -0.0058 0.0040 0.0014 141 SER 11 O -0.0060 0.0054 0.0016 142 SER 11 CB -0.0121 0.0031 0.0023 143 SER 11 OG -0.0120 0.0000 0.0020 144 SER 11 H -0.0087 -0.0020 0.0012 145 SER 11 HA -0.0092 0.0055 0.0021 146 SER 11 HB3 -0.0143 0.0031 0.0027 147 SER 11 HB2 -0.0122 0.0052 0.0026 148 SER 11 HG -0.0101 0.0000 0.0017 149 GLU 12 N -0.0030 0.0028 0.0009 150 GLU 12 CA 0.0002 0.0031 0.0004 151 GLU 12 C 0.0016 0.0067 0.0006 152 GLU 12 O 0.0022 0.0080 0.0006 153 GLU 12 CB 0.0028 0.0006 -0.0003 154 GLU 12 CG 0.0063 0.0009 -0.0008 155 GLU 12 CD 0.0064 0.0001 -0.0009 156 GLU 12 OE1 0.0058 -0.0029 -0.0011 157 GLU 12 OE2 0.0071 0.0025 -0.0007 158 GLU 12 H -0.0030 0.0016 0.0007 159 GLU 12 HA -0.0001 0.0025 0.0004 160 GLU 12 HB3 0.0029 0.0010 -0.0002 161 GLU 12 HB2 0.0018 -0.0020 -0.0004 162 GLU 12 HG3 0.0073 0.0034 -0.0006 163 GLU 12 HG2 0.0079 -0.0009 -0.0012 164 SER 13 N 0.0073 0.0036 -0.0006 165 SER 13 CA 0.0070 0.0032 -0.0015 166 SER 13 C 0.0064 0.0032 -0.0015 167 SER 13 O 0.0058 0.0029 -0.0021 168 SER 13 CB 0.0080 0.0030 -0.0023 169 SER 13 OG 0.0086 0.0032 -0.0020 170 SER 13 H 0.0081 0.0038 -0.0003 171 SER 13 HA 0.0065 0.0030 -0.0018 172 SER 13 HB3 0.0084 0.0031 -0.0023 173 SER 13 HB2 0.0077 0.0027 -0.0030 174 SER 13 HG 0.0082 0.0031 -0.0021 175 ARG 14 N 0.0067 0.0035 -0.0007 176 ARG 14 CA 0.0062 0.0035 -0.0006 177 ARG 14 C 0.0050 0.0035 -0.0002 178 ARG 14 O 0.0047 0.0036 0.0002 179 ARG 14 CB 0.0069 0.0038 0.0001 180 ARG 14 CG 0.0080 0.0038 -0.0002 181 ARG 14 CD 0.0085 0.0039 -0.0001 182 ARG 14 NE 0.0096 0.0039 -0.0003 183 ARG 14 CZ 0.0101 0.0037 -0.0012 184 ARG 14 NH1 0.0095 0.0033 -0.0020 185 ARG 14 NH2 0.0111 0.0038 -0.0013 186 ARG 14 H 0.0072 0.0037 -0.0002 187 ARG 14 HA 0.0062 0.0032 -0.0013 188 ARG 14 HB3 0.0065 0.0038 0.0002 189 ARG 14 HB2 0.0068 0.0041 0.0009 190 ARG 14 HG3 0.0085 0.0041 0.0003 191 ARG 14 HG2 0.0082 0.0036 -0.0009 192 ARG 14 HD3 0.0081 0.0036 -0.0007 193 ARG 14 HD2 0.0083 0.0041 0.0006 194 ARG 14 HE 0.0100 0.0042 0.0003 195 ARG 14 HH12 0.0099 0.0031 -0.0027 196 ARG 14 HH11 0.0087 0.0032 -0.0019 197 ARG 14 HH22 0.0115 0.0035 -0.0020 198 ARG 14 HH21 0.0116 0.0040 -0.0007 199 CYS 15 N 0.0039 0.0028 0.0005 200 CYS 15 CA 0.0035 0.0026 0.0007 201 CYS 15 C 0.0035 0.0027 0.0011 202 CYS 15 O 0.0036 0.0029 0.0013 203 CYS 15 CB 0.0034 0.0025 0.0010 204 CYS 15 SG 0.0029 0.0023 0.0013 205 CYS 15 H 0.0040 0.0029 0.0005 206 CYS 15 HA 0.0034 0.0023 0.0005 207 CYS 15 HB3 0.0035 0.0028 0.0012 208 CYS 15 HB2 0.0034 0.0024 0.0007 209 CYS 16 N 0.0032 0.0024 0.0010 210 CYS 16 CA 0.0032 0.0025 0.0012 211 CYS 16 C 0.0029 0.0022 0.0013 212 CYS 16 O 0.0027 0.0019 0.0011 213 CYS 16 CB 0.0035 0.0026 0.0010 214 CYS 16 SG 0.0035 0.0028 0.0013 215 CYS 16 H 0.0031 0.0022 0.0008 216 CYS 16 HA 0.0033 0.0027 0.0015 217 CYS 16 HB3 0.0034 0.0024 0.0007 218 CYS 16 HB2 0.0037 0.0028 0.0008 219 ARG 17 N 0.0030 0.0010 0.0013 220 ARG 17 CA 0.0026 0.0006 0.0014 221 ARG 17 C 0.0021 0.0003 0.0012 222 ARG 17 O 0.0021 0.0002 0.0013 223 ARG 17 CB 0.0028 0.0002 0.0020 224 ARG 17 CG 0.0024 -0.0002 0.0022 225 ARG 17 CD 0.0026 -0.0006 0.0028 226 ARG 17 NE 0.0027 -0.0008 0.0030 227 ARG 17 CZ 0.0026 -0.0013 0.0035 228 ARG 17 NH1 0.0025 -0.0015 0.0037 229 ARG 17 NH2 0.0026 -0.0014 0.0037 230 ARG 17 H 0.0033 0.0010 0.0015 231 ARG 17 HA 0.0025 0.0006 0.0012 232 ARG 17 HB3 0.0029 0.0001 0.0022 233 ARG 17 HB2 0.0032 0.0004 0.0022 234 ARG 17 HG3 0.0024 -0.0001 0.0020 235 ARG 17 HG2 0.0020 -0.0004 0.0020 236 ARG 17 HD3 0.0030 -0.0004 0.0029 237 ARG 17 HD2 0.0023 -0.0009 0.0028 238 ARG 17 HE 0.0027 -0.0006 0.0029 239 ARG 17 HH12 0.0024 -0.0019 0.0040 240 ARG 17 HH11 0.0024 -0.0014 0.0035 241 ARG 17 HH22 0.0026 -0.0018 0.0040 242 ARG 17 HH21 0.0027 -0.0012 0.0035 243 TYR 18 N 0.0016 0.0002 0.0009 244 TYR 18 CA 0.0011 -0.0000 0.0007 245 TYR 18 C 0.0007 -0.0005 0.0009 246 TYR 18 O 0.0008 -0.0006 0.0011 247 TYR 18 CB 0.0008 0.0003 0.0001 248 TYR 18 CG 0.0011 0.0008 -0.0002 249 TYR 18 CD1 0.0016 0.0012 -0.0003 250 TYR 18 CD2 0.0009 0.0008 -0.0005 251 TYR 18 CE1 0.0018 0.0016 -0.0005 252 TYR 18 CE2 0.0012 0.0013 -0.0007 253 TYR 18 CZ 0.0016 0.0017 -0.0008 254 TYR 18 OH 0.0019 0.0021 -0.0010 255 TYR 18 H 0.0017 0.0003 0.0008 256 TYR 18 HA 0.0012 -0.0000 0.0008 257 TYR 18 HB3 0.0004 0.0001 -0.0001 258 TYR 18 HB2 0.0008 0.0004 -0.0000 259 TYR 18 HD1 0.0017 0.0011 -0.0001 260 TYR 18 HD2 0.0006 0.0005 -0.0004 261 TYR 18 HE1 0.0022 0.0019 -0.0006 262 TYR 18 HE2 0.0010 0.0013 -0.0009 263 TYR 18 HH 0.0022 0.0023 -0.0010 264 PRO 19 N -0.0030 -0.0021 -0.0013 265 PRO 19 CA -0.0037 -0.0029 -0.0009 266 PRO 19 C -0.0047 -0.0017 -0.0016 267 PRO 19 O -0.0055 -0.0006 -0.0022 268 PRO 19 CB -0.0050 -0.0042 -0.0003 269 PRO 19 CG -0.0057 -0.0035 -0.0007 270 PRO 19 CD -0.0041 -0.0025 -0.0011 271 PRO 19 HA -0.0025 -0.0035 -0.0006 272 PRO 19 HB3 -0.0042 -0.0053 0.0003 273 PRO 19 HB2 -0.0062 -0.0044 -0.0003 274 PRO 19 HG3 -0.0061 -0.0045 -0.0002 275 PRO 19 HG2 -0.0068 -0.0027 -0.0012 276 PRO 19 HD2 -0.0046 -0.0014 -0.0017 277 PRO 19 HD3 -0.0033 -0.0033 -0.0007 278 LEU 20 N -0.0045 -0.0021 -0.0014 279 LEU 20 CA -0.0055 -0.0012 -0.0019 280 LEU 20 C -0.0057 -0.0022 -0.0014 281 LEU 20 O -0.0043 -0.0027 -0.0011 282 LEU 20 CB -0.0045 0.0004 -0.0027 283 LEU 20 CG -0.0054 0.0013 -0.0032 284 LEU 20 CD1 -0.0074 0.0019 -0.0036 285 LEU 20 CD2 -0.0042 0.0028 -0.0039 286 LEU 20 H -0.0037 -0.0030 -0.0009 287 LEU 20 HA -0.0069 -0.0010 -0.0021 288 LEU 20 HB3 -0.0031 0.0002 -0.0025 289 LEU 20 HB2 -0.0046 0.0012 -0.0031 290 LEU 20 HG -0.0056 0.0005 -0.0027 291 LEU 20 HD11 -0.0080 0.0025 -0.0039 292 LEU 20 HD12 -0.0082 0.0008 -0.0030 293 LEU 20 HD13 -0.0073 0.0027 -0.0040 294 LEU 20 HD21 -0.0049 0.0034 -0.0042 295 LEU 20 HD22 -0.0040 0.0037 -0.0043 296 LEU 20 HD23 -0.0029 0.0023 -0.0036 297 THR 21 N -0.0084 -0.0046 -0.0032 298 THR 21 CA -0.0076 -0.0054 -0.0034 299 THR 21 C -0.0069 -0.0031 -0.0034 300 THR 21 O -0.0083 -0.0012 -0.0030 301 THR 21 CB -0.0096 -0.0070 -0.0031 302 THR 21 OG1 -0.0100 -0.0093 -0.0032 303 THR 21 CG2 -0.0087 -0.0078 -0.0033 304 THR 21 H -0.0102 -0.0042 -0.0028 305 THR 21 HA -0.0059 -0.0066 -0.0038 306 THR 21 HB -0.0113 -0.0060 -0.0027 307 THR 21 HG1 -0.0085 -0.0103 -0.0036 308 THR 21 HG21 -0.0101 -0.0089 -0.0031 309 THR 21 HG22 -0.0083 -0.0060 -0.0033 310 THR 21 HG23 -0.0070 -0.0089 -0.0038 311 VAL 22 N -0.0046 -0.0031 -0.0038 312 VAL 22 CA -0.0038 -0.0011 -0.0038 313 VAL 22 C -0.0041 -0.0022 -0.0038 314 VAL 22 O -0.0031 -0.0042 -0.0042 315 VAL 22 CB -0.0010 -0.0004 -0.0043 316 VAL 22 CG1 0.0000 0.0012 -0.0044 317 VAL 22 CG2 -0.0007 0.0011 -0.0043 318 VAL 22 H -0.0034 -0.0046 -0.0041 319 VAL 22 HA -0.0049 0.0005 -0.0035 320 VAL 22 HB 0.0001 -0.0021 -0.0046 321 VAL 22 HG11 0.0020 0.0017 -0.0047 322 VAL 22 HG12 -0.0001 0.0001 -0.0044 323 VAL 22 HG13 -0.0011 0.0029 -0.0041 324 VAL 22 HG21 0.0012 0.0016 -0.0046 325 VAL 22 HG22 -0.0019 0.0028 -0.0039 326 VAL 22 HG23 -0.0014 -0.0001 -0.0042 327 ASP 23 N -0.0041 0.0003 -0.0052 328 ASP 23 CA -0.0049 -0.0007 -0.0051 329 ASP 23 C -0.0038 0.0005 -0.0053 330 ASP 23 O -0.0045 0.0024 -0.0054 331 ASP 23 CB -0.0075 -0.0008 -0.0050 332 ASP 23 CG -0.0083 -0.0020 -0.0048 333 ASP 23 OD1 -0.0079 -0.0012 -0.0049 334 ASP 23 OD2 -0.0094 -0.0038 -0.0046 335 ASP 23 H -0.0048 0.0018 -0.0054 336 ASP 23 HA -0.0042 -0.0025 -0.0050 337 ASP 23 HB3 -0.0081 0.0010 -0.0051 338 ASP 23 HB2 -0.0082 -0.0015 -0.0049 339 PHE 24 N -0.0023 -0.0006 -0.0052 340 PHE 24 CA -0.0011 0.0005 -0.0054 341 PHE 24 C -0.0027 0.0010 -0.0054 342 PHE 24 O -0.0023 0.0028 -0.0056 343 PHE 24 CB 0.0009 -0.0010 -0.0053 344 PHE 24 CG 0.0028 -0.0012 -0.0054 345 PHE 24 CD1 0.0038 0.0007 -0.0056 346 PHE 24 CD2 0.0034 -0.0033 -0.0052 347 PHE 24 CE1 0.0055 0.0005 -0.0057 348 PHE 24 CE2 0.0051 -0.0035 -0.0053 349 PHE 24 CZ 0.0062 -0.0016 -0.0055 350 PHE 24 H -0.0019 -0.0022 -0.0051 351 PHE 24 HA -0.0004 0.0021 -0.0056 352 PHE 24 HB3 0.0016 -0.0003 -0.0054 353 PHE 24 HB2 0.0003 -0.0027 -0.0051 354 PHE 24 HD1 0.0033 0.0024 -0.0058 355 PHE 24 HD2 0.0026 -0.0048 -0.0050 356 PHE 24 HE1 0.0063 0.0021 -0.0059 357 PHE 24 HE2 0.0056 -0.0052 -0.0051 358 PHE 24 HZ 0.0075 -0.0017 -0.0055 359 GLU 25 N -0.0057 0.0001 -0.0071 360 GLU 25 CA -0.0068 0.0007 -0.0069 361 GLU 25 C -0.0081 0.0024 -0.0066 362 GLU 25 O -0.0084 0.0037 -0.0065 363 GLU 25 CB -0.0081 -0.0009 -0.0068 364 GLU 25 CG -0.0072 -0.0030 -0.0071 365 GLU 25 CD -0.0086 -0.0045 -0.0069 366 GLU 25 OE1 -0.0101 -0.0049 -0.0067 367 GLU 25 OE2 -0.0082 -0.0052 -0.0070 368 GLU 25 H -0.0060 -0.0012 -0.0071 369 GLU 25 HA -0.0058 0.0012 -0.0070 370 GLU 25 HB3 -0.0085 -0.0005 -0.0067 371 GLU 25 HB2 -0.0095 -0.0010 -0.0066 372 GLU 25 HG3 -0.0068 -0.0034 -0.0071 373 GLU 25 HG2 -0.0059 -0.0029 -0.0072 374 ALA 26 N -0.0090 0.0024 -0.0065 375 ALA 26 CA -0.0103 0.0039 -0.0063 376 ALA 26 C -0.0092 0.0058 -0.0063 377 ALA 26 O -0.0100 0.0074 -0.0061 378 ALA 26 CB -0.0113 0.0033 -0.0061 379 ALA 26 H -0.0087 0.0012 -0.0066 380 ALA 26 HA -0.0114 0.0042 -0.0061 381 ALA 26 HB1 -0.0123 0.0045 -0.0060 382 ALA 26 HB2 -0.0122 0.0020 -0.0061 383 ALA 26 HB3 -0.0103 0.0030 -0.0063 384 PHE 27 N -0.0070 0.0036 -0.0053 385 PHE 27 CA -0.0057 0.0055 -0.0061 386 PHE 27 C -0.0057 0.0066 -0.0063 387 PHE 27 O -0.0052 0.0086 -0.0068 388 PHE 27 CB -0.0034 0.0049 -0.0068 389 PHE 27 CG -0.0032 0.0041 -0.0067 390 PHE 27 CD1 -0.0051 0.0039 -0.0060 391 PHE 27 CD2 -0.0013 0.0034 -0.0073 392 PHE 27 CE1 -0.0049 0.0031 -0.0059 393 PHE 27 CE2 -0.0011 0.0026 -0.0072 394 PHE 27 CZ -0.0029 0.0024 -0.0065 395 PHE 27 H -0.0062 0.0021 -0.0053 396 PHE 27 HA -0.0065 0.0067 -0.0060 397 PHE 27 HB3 -0.0025 0.0064 -0.0074 398 PHE 27 HB2 -0.0026 0.0037 -0.0069 399 PHE 27 HD1 -0.0066 0.0044 -0.0055 400 PHE 27 HD2 0.0002 0.0035 -0.0078 401 PHE 27 HE1 -0.0063 0.0030 -0.0054 402 PHE 27 HE2 0.0005 0.0020 -0.0077 403 PHE 27 HZ -0.0028 0.0018 -0.0065 404 GLY 28 N -0.0062 0.0053 -0.0058 405 GLY 28 CA -0.0064 0.0061 -0.0059 406 GLY 28 C -0.0043 0.0056 -0.0066 407 GLY 28 O -0.0042 0.0063 -0.0068 408 GLY 28 H -0.0065 0.0037 -0.0054 409 GLY 28 HA3 -0.0067 0.0080 -0.0061 410 GLY 28 HA2 -0.0077 0.0054 -0.0053 411 TRP 29 N -0.0009 0.0033 -0.0067 412 TRP 29 CA 0.0006 0.0030 -0.0070 413 TRP 29 C 0.0007 0.0017 -0.0069 414 TRP 29 O 0.0009 0.0004 -0.0069 415 TRP 29 CB 0.0015 0.0027 -0.0072 416 TRP 29 CG 0.0015 0.0039 -0.0072 417 TRP 29 CD1 0.0008 0.0052 -0.0072 418 TRP 29 CD2 0.0022 0.0039 -0.0074 419 TRP 29 NE1 0.0010 0.0061 -0.0073 420 TRP 29 CE2 0.0019 0.0053 -0.0074 421 TRP 29 CE3 0.0031 0.0029 -0.0075 422 TRP 29 CZ2 0.0025 0.0057 -0.0075 423 TRP 29 CZ3 0.0037 0.0033 -0.0076 424 TRP 29 CH2 0.0033 0.0047 -0.0076 425 TRP 29 H -0.0013 0.0029 -0.0066 426 TRP 29 HA 0.0010 0.0040 -0.0071 427 TRP 29 HB3 0.0026 0.0025 -0.0073 428 TRP 29 HB2 0.0012 0.0017 -0.0070 429 TRP 29 HD1 0.0002 0.0055 -0.0071 430 TRP 29 HE1 0.0006 0.0071 -0.0073 431 TRP 29 HE3 0.0034 0.0019 -0.0075 432 TRP 29 HZ2 0.0022 0.0067 -0.0076 433 TRP 29 HZ3 0.0044 0.0025 -0.0077 434 TRP 29 HH2 0.0038 0.0049 -0.0077 435 ASP 30 N 0.0006 0.0020 -0.0069 436 ASP 30 CA 0.0006 0.0009 -0.0069 437 ASP 30 C 0.0022 0.0003 -0.0071 438 ASP 30 O 0.0024 -0.0009 -0.0071 439 ASP 30 CB 0.0001 0.0015 -0.0068 440 ASP 30 CG 0.0010 0.0027 -0.0070 441 ASP 30 OD1 0.0013 0.0037 -0.0072 442 ASP 30 OD2 0.0013 0.0026 -0.0071 443 ASP 30 H 0.0005 0.0031 -0.0070 444 ASP 30 HA -0.0001 -0.0000 -0.0067 445 ASP 30 HB3 -0.0011 0.0018 -0.0066 446 ASP 30 HB2 0.0000 0.0005 -0.0067 447 TRP 31 N 0.0011 0.0007 -0.0070 448 TRP 31 CA 0.0016 0.0006 -0.0067 449 TRP 31 C 0.0025 0.0002 -0.0061 450 TRP 31 O 0.0029 -0.0001 -0.0058 451 TRP 31 CB 0.0021 0.0010 -0.0075 452 TRP 31 CG 0.0026 0.0014 -0.0081 453 TRP 31 CD1 0.0023 0.0018 -0.0087 454 TRP 31 CD2 0.0037 0.0014 -0.0081 455 TRP 31 NE1 0.0031 0.0020 -0.0091 456 TRP 31 CE2 0.0039 0.0018 -0.0087 457 TRP 31 CE3 0.0045 0.0010 -0.0076 458 TRP 31 CZ2 0.0049 0.0019 -0.0089 459 TRP 31 CZ3 0.0054 0.0011 -0.0077 460 TRP 31 CH2 0.0056 0.0015 -0.0084 461 TRP 31 H 0.0012 0.0011 -0.0076 462 TRP 31 HA 0.0011 0.0004 -0.0064 463 TRP 31 HB3 0.0015 0.0013 -0.0078 464 TRP 31 HB2 0.0025 0.0009 -0.0073 465 TRP 31 HD1 0.0015 0.0019 -0.0088 466 TRP 31 HE1 0.0029 0.0024 -0.0096 467 TRP 31 HE3 0.0043 0.0007 -0.0071 468 TRP 31 HZ2 0.0050 0.0022 -0.0094 469 TRP 31 HZ3 0.0060 0.0009 -0.0074 470 TRP 31 HH2 0.0064 0.0016 -0.0085 471 ILE 32 N 0.0027 0.0001 -0.0060 472 ILE 32 CA 0.0033 -0.0003 -0.0054 473 ILE 32 C 0.0027 -0.0008 -0.0046 474 ILE 32 O 0.0021 -0.0008 -0.0046 475 ILE 32 CB 0.0040 -0.0002 -0.0056 476 ILE 32 CG1 0.0048 0.0002 -0.0062 477 ILE 32 CG2 0.0044 -0.0007 -0.0049 478 ILE 32 CD1 0.0052 0.0005 -0.0068 479 ILE 32 H 0.0024 0.0004 -0.0064 480 ILE 32 HA 0.0038 -0.0004 -0.0052 481 ILE 32 HB 0.0035 0.0001 -0.0060 482 ILE 32 HG13 0.0045 0.0004 -0.0066 483 ILE 32 HG12 0.0054 -0.0001 -0.0059 484 ILE 32 HG21 0.0049 -0.0005 -0.0051 485 ILE 32 HG22 0.0039 -0.0009 -0.0045 486 ILE 32 HG23 0.0049 -0.0009 -0.0046 487 ILE 32 HD11 0.0058 0.0008 -0.0072 488 ILE 32 HD12 0.0046 0.0008 -0.0071 489 ILE 32 HD13 0.0055 0.0003 -0.0064 490 ILE 33 N 0.0033 0.0002 -0.0055 491 ILE 33 CA 0.0032 0.0004 -0.0049 492 ILE 33 C 0.0039 0.0006 -0.0046 493 ILE 33 O 0.0040 0.0007 -0.0045 494 ILE 33 CB 0.0027 0.0006 -0.0044 495 ILE 33 CG1 0.0020 0.0003 -0.0048 496 ILE 33 CG2 0.0026 0.0008 -0.0039 497 ILE 33 CD1 0.0015 0.0004 -0.0044 498 ILE 33 H 0.0032 0.0002 -0.0054 499 ILE 33 HA 0.0030 0.0003 -0.0051 500 ILE 33 HB 0.0029 0.0006 -0.0043 501 ILE 33 HG13 0.0021 0.0002 -0.0052 502 ILE 33 HG12 0.0018 0.0003 -0.0048 503 ILE 33 HG21 0.0022 0.0009 -0.0035 504 ILE 33 HG22 0.0031 0.0009 -0.0036 505 ILE 33 HG23 0.0024 0.0007 -0.0040 506 ILE 33 HD11 0.0010 0.0003 -0.0047 507 ILE 33 HD12 0.0017 0.0005 -0.0044 508 ILE 33 HD13 0.0014 0.0006 -0.0039 509 ALA 34 N 0.0042 0.0007 -0.0045 510 ALA 34 CA 0.0049 0.0009 -0.0042 511 ALA 34 C 0.0053 0.0009 -0.0044 512 ALA 34 O 0.0051 0.0008 -0.0044 513 ALA 34 CB 0.0048 0.0012 -0.0035 514 ALA 34 H 0.0041 0.0007 -0.0046 515 ALA 34 HA 0.0052 0.0009 -0.0044 516 ALA 34 HB1 0.0053 0.0013 -0.0032 517 ALA 34 HB2 0.0045 0.0012 -0.0033 518 ALA 34 HB3 0.0045 0.0012 -0.0033 519 PRO 35 N 0.0063 -0.0043 -0.0042 520 PRO 35 CA 0.0044 -0.0046 -0.0043 521 PRO 35 C 0.0030 -0.0031 -0.0050 522 PRO 35 O 0.0036 -0.0016 -0.0055 523 PRO 35 CB 0.0050 -0.0046 -0.0042 524 PRO 35 CG 0.0068 -0.0033 -0.0045 525 PRO 35 CD 0.0078 -0.0036 -0.0043 526 PRO 35 HA 0.0037 -0.0060 -0.0039 527 PRO 35 HB3 0.0054 -0.0060 -0.0037 528 PRO 35 HB2 0.0038 -0.0041 -0.0046 529 PRO 35 HG3 0.0077 -0.0037 -0.0042 530 PRO 35 HG2 0.0063 -0.0019 -0.0051 531 PRO 35 HD2 0.0084 -0.0022 -0.0047 532 PRO 35 HD3 0.0089 -0.0046 -0.0038 533 LYS 36 N 0.0011 -0.0034 -0.0051 534 LYS 36 CA -0.0004 -0.0020 -0.0058 535 LYS 36 C -0.0003 -0.0006 -0.0063 536 LYS 36 O -0.0008 0.0010 -0.0069 537 LYS 36 CB -0.0024 -0.0029 -0.0057 538 LYS 36 CG -0.0027 -0.0043 -0.0052 539 LYS 36 CD -0.0027 -0.0033 -0.0056 540 LYS 36 CE -0.0029 -0.0047 -0.0051 541 LYS 36 NZ -0.0022 -0.0038 -0.0054 542 LYS 36 H 0.0007 -0.0047 -0.0047 543 LYS 36 HA -0.0001 -0.0013 -0.0060 544 LYS 36 HB3 -0.0035 -0.0019 -0.0062 545 LYS 36 HB2 -0.0028 -0.0036 -0.0055 546 LYS 36 HG3 -0.0041 -0.0051 -0.0051 547 LYS 36 HG2 -0.0015 -0.0053 -0.0047 548 LYS 36 HD3 -0.0013 -0.0025 -0.0057 549 LYS 36 HD2 -0.0038 -0.0024 -0.0061 550 LYS 36 HE3 -0.0044 -0.0051 -0.0051 551 LYS 36 HE2 -0.0020 -0.0059 -0.0046 552 LYS 36 HZ1 -0.0008 -0.0034 -0.0053 553 LYS 36 HZ2 -0.0024 -0.0047 -0.0051 554 LYS 36 HZ3 -0.0030 -0.0027 -0.0059 555 ARG 37 N -0.0016 -0.0085 -0.0036 556 ARG 37 CA -0.0023 -0.0071 -0.0036 557 ARG 37 C -0.0011 -0.0083 -0.0036 558 ARG 37 O -0.0002 -0.0104 -0.0036 559 ARG 37 CB -0.0052 -0.0070 -0.0037 560 ARG 37 CG -0.0063 -0.0094 -0.0039 561 ARG 37 CD -0.0091 -0.0091 -0.0040 562 ARG 37 NE -0.0103 -0.0080 -0.0040 563 ARG 37 CZ -0.0108 -0.0093 -0.0041 564 ARG 37 NH1 -0.0101 -0.0117 -0.0041 565 ARG 37 NH2 -0.0118 -0.0081 -0.0041 566 ARG 37 H -0.0010 -0.0103 -0.0037 567 ARG 37 HA -0.0017 -0.0051 -0.0035 568 ARG 37 HB3 -0.0061 -0.0068 -0.0038 569 ARG 37 HB2 -0.0057 -0.0054 -0.0037 570 ARG 37 HG3 -0.0054 -0.0096 -0.0038 571 ARG 37 HG2 -0.0059 -0.0110 -0.0039 572 ARG 37 HD3 -0.0096 -0.0079 -0.0040 573 ARG 37 HD2 -0.0100 -0.0110 -0.0041 574 ARG 37 HE -0.0108 -0.0062 -0.0039 575 ARG 37 HH12 -0.0104 -0.0127 -0.0042 576 ARG 37 HH11 -0.0093 -0.0126 -0.0041 577 ARG 37 HH22 -0.0122 -0.0091 -0.0041 578 ARG 37 HH21 -0.0123 -0.0063 -0.0040 579 TYR 38 N -0.0010 -0.0069 -0.0035 580 TYR 38 CA 0.0002 -0.0078 -0.0035 581 TYR 38 C -0.0006 -0.0062 -0.0035 582 TYR 38 O -0.0016 -0.0041 -0.0034 583 TYR 38 CB 0.0031 -0.0077 -0.0034 584 TYR 38 CG 0.0043 -0.0052 -0.0032 585 TYR 38 CD1 0.0043 -0.0033 -0.0031 586 TYR 38 CD2 0.0056 -0.0048 -0.0031 587 TYR 38 CE1 0.0054 -0.0009 -0.0030 588 TYR 38 CE2 0.0068 -0.0025 -0.0030 589 TYR 38 CZ 0.0067 -0.0006 -0.0029 590 TYR 38 OH 0.0078 0.0017 -0.0028 591 TYR 38 H -0.0019 -0.0051 -0.0035 592 TYR 38 HA -0.0004 -0.0097 -0.0036 593 TYR 38 HB3 0.0036 -0.0084 -0.0034 594 TYR 38 HB2 0.0039 -0.0092 -0.0034 595 TYR 38 HD1 0.0033 -0.0035 -0.0032 596 TYR 38 HD2 0.0057 -0.0062 -0.0032 597 TYR 38 HE1 0.0054 0.0005 -0.0030 598 TYR 38 HE2 0.0077 -0.0022 -0.0030 599 TYR 38 HH 0.0087 0.0016 -0.0028 600 LYS 39 N -0.0009 -0.0112 -0.0023 601 LYS 39 CA -0.0021 -0.0097 -0.0020 602 LYS 39 C 0.0008 -0.0076 -0.0018 603 LYS 39 O 0.0032 -0.0089 -0.0021 604 LYS 39 CB -0.0032 -0.0125 -0.0023 605 LYS 39 CG -0.0063 -0.0144 -0.0025 606 LYS 39 CD -0.0074 -0.0171 -0.0028 607 LYS 39 CE -0.0067 -0.0206 -0.0033 608 LYS 39 NZ -0.0031 -0.0213 -0.0036 609 LYS 39 H 0.0001 -0.0135 -0.0026 610 LYS 39 HA -0.0042 -0.0081 -0.0017 611 LYS 39 HB3 -0.0037 -0.0114 -0.0022 612 LYS 39 HB2 -0.0011 -0.0142 -0.0027 613 LYS 39 HG3 -0.0058 -0.0156 -0.0027 614 LYS 39 HG2 -0.0084 -0.0126 -0.0022 615 LYS 39 HD3 -0.0101 -0.0168 -0.0027 616 LYS 39 HD2 -0.0060 -0.0167 -0.0028 617 LYS 39 HE3 -0.0079 -0.0209 -0.0033 618 LYS 39 HE2 -0.0079 -0.0224 -0.0036 619 LYS 39 HZ1 -0.0019 -0.0194 -0.0034 620 LYS 39 HZ2 -0.0021 -0.0216 -0.0037 621 LYS 39 HZ3 -0.0027 -0.0234 -0.0039 622 ALA 40 N 0.0004 -0.0043 -0.0013 623 ALA 40 CA 0.0029 -0.0020 -0.0011 624 ALA 40 C 0.0022 -0.0010 -0.0009 625 ALA 40 O 0.0045 -0.0004 -0.0009 626 ALA 40 CB 0.0031 0.0011 -0.0007 627 ALA 40 H -0.0017 -0.0034 -0.0011 628 ALA 40 HA 0.0053 -0.0032 -0.0014 629 ALA 40 HB1 0.0050 0.0028 -0.0005 630 ALA 40 HB2 0.0039 0.0003 -0.0008 631 ALA 40 HB3 0.0007 0.0023 -0.0004 632 ASN 41 N -0.0002 -0.0009 0.0003 633 ASN 41 CA 0.0000 -0.0001 0.0000 634 ASN 41 C 0.0004 0.0010 -0.0003 635 ASN 41 O 0.0007 0.0012 -0.0003 636 ASN 41 CB 0.0008 -0.0005 0.0005 637 ASN 41 CG 0.0005 -0.0017 0.0009 638 ASN 41 OD1 -0.0003 -0.0020 0.0007 639 ASN 41 ND2 0.0012 -0.0023 0.0014 640 ASN 41 H -0.0010 -0.0013 0.0001 641 ASN 41 HA -0.0007 -0.0001 -0.0003 642 ASN 41 HB3 0.0009 0.0000 0.0003 643 ASN 41 HB2 0.0016 -0.0004 0.0008 644 ASN 41 HD22 0.0011 -0.0031 0.0017 645 ASN 41 HD21 0.0019 -0.0020 0.0016 646 TYR 42 N 0.0005 0.0018 -0.0006 647 TYR 42 CA 0.0010 0.0029 -0.0009 648 TYR 42 C 0.0014 0.0036 -0.0011 649 TYR 42 O 0.0011 0.0032 -0.0010 650 TYR 42 CB 0.0001 0.0034 -0.0015 651 TYR 42 CG -0.0008 0.0036 -0.0020 652 TYR 42 CD1 -0.0017 0.0028 -0.0019 653 TYR 42 CD2 -0.0009 0.0047 -0.0025 654 TYR 42 CE1 -0.0025 0.0030 -0.0024 655 TYR 42 CE2 -0.0018 0.0049 -0.0029 656 TYR 42 CZ -0.0026 0.0040 -0.0028 657 TYR 42 OH -0.0035 0.0042 -0.0033 658 TYR 42 H 0.0003 0.0016 -0.0007 659 TYR 42 HA 0.0016 0.0029 -0.0006 660 TYR 42 HB3 -0.0002 0.0029 -0.0014 661 TYR 42 HB2 0.0005 0.0042 -0.0017 662 TYR 42 HD1 -0.0016 0.0020 -0.0016 663 TYR 42 HD2 -0.0003 0.0053 -0.0025 664 TYR 42 HE1 -0.0032 0.0023 -0.0023 665 TYR 42 HE2 -0.0019 0.0057 -0.0033 666 TYR 42 HH -0.0036 0.0050 -0.0036 667 CYS 43 N 0.0010 0.0022 0.0005 668 CYS 43 CA 0.0018 0.0025 0.0003 669 CYS 43 C 0.0018 0.0028 -0.0005 670 CYS 43 O 0.0014 0.0027 -0.0011 671 CYS 43 CB 0.0022 0.0027 0.0004 672 CYS 43 SG 0.0022 0.0025 0.0014 673 CYS 43 H 0.0007 0.0021 0.0003 674 CYS 43 HA 0.0021 0.0026 0.0007 675 CYS 43 HB3 0.0028 0.0030 0.0002 676 CYS 43 HB2 0.0019 0.0027 -0.0000 677 SER 44 N 0.0024 0.0030 -0.0006 678 SER 44 CA 0.0025 0.0032 -0.0014 679 SER 44 C 0.0033 0.0035 -0.0014 680 SER 44 O 0.0036 0.0035 -0.0008 681 SER 44 CB 0.0019 0.0031 -0.0017 682 SER 44 OG 0.0021 0.0033 -0.0024 683 SER 44 H 0.0027 0.0030 -0.0002 684 SER 44 HA 0.0025 0.0033 -0.0018 685 SER 44 HB3 0.0019 0.0030 -0.0012 686 SER 44 HB2 0.0014 0.0028 -0.0017 687 SER 44 HG 0.0018 0.0033 -0.0028 688 GLY 45 N 0.0054 0.0027 -0.0002 689 GLY 45 CA 0.0062 0.0026 -0.0002 690 GLY 45 C 0.0050 0.0009 -0.0005 691 GLY 45 O 0.0034 -0.0000 -0.0006 692 GLY 45 H 0.0050 0.0012 -0.0004 693 GLY 45 HA3 0.0059 0.0042 0.0000 694 GLY 45 HA2 0.0079 0.0024 -0.0003 695 GLN 46 N 0.0059 0.0006 -0.0005 696 GLN 46 CA 0.0050 -0.0010 -0.0008 697 GLN 46 C 0.0030 -0.0003 -0.0006 698 GLN 46 O 0.0027 0.0016 -0.0003 699 GLN 46 CB 0.0067 -0.0017 -0.0009 700 GLN 46 CG 0.0088 -0.0025 -0.0011 701 GLN 46 CD 0.0084 -0.0045 -0.0014 702 GLN 46 OE1 0.0077 -0.0061 -0.0017 703 GLN 46 NE2 0.0090 -0.0042 -0.0014 704 GLN 46 H 0.0071 0.0015 -0.0004 705 GLN 46 HA 0.0046 -0.0024 -0.0010 706 GLN 46 HB3 0.0060 -0.0030 -0.0011 707 GLN 46 HB2 0.0071 -0.0004 -0.0007 708 GLN 46 HG3 0.0100 -0.0030 -0.0012 709 GLN 46 HG2 0.0096 -0.0012 -0.0009 710 GLN 46 HE22 0.0088 -0.0054 -0.0016 711 GLN 46 HE21 0.0096 -0.0028 -0.0012 712 CYS 47 N 0.0022 -0.0010 0.0024 713 CYS 47 CA 0.0003 -0.0010 0.0017 714 CYS 47 C 0.0000 -0.0032 0.0015 715 CYS 47 O -0.0008 -0.0047 0.0012 716 CYS 47 CB -0.0015 -0.0006 0.0010 717 CYS 47 SG -0.0016 0.0022 0.0010 718 CYS 47 H 0.0024 -0.0022 0.0024 719 CYS 47 HA 0.0003 0.0003 0.0017 720 CYS 47 HB3 -0.0029 -0.0009 0.0005 721 CYS 47 HB2 -0.0014 -0.0017 0.0010 722 GLU 48 N 0.0008 -0.0033 0.0018 723 GLU 48 CA 0.0006 -0.0052 0.0017 724 GLU 48 C -0.0008 -0.0049 0.0012 725 GLU 48 O -0.0013 -0.0031 0.0011 726 GLU 48 CB 0.0027 -0.0059 0.0025 727 GLU 48 CG 0.0042 -0.0067 0.0030 728 GLU 48 CD 0.0064 -0.0064 0.0038 729 GLU 48 OE1 0.0067 -0.0060 0.0039 730 GLU 48 OE2 0.0077 -0.0066 0.0043 731 GLU 48 H 0.0014 -0.0020 0.0021 732 GLU 48 HA 0.0000 -0.0065 0.0015 733 GLU 48 HB3 0.0025 -0.0072 0.0024 734 GLU 48 HB2 0.0034 -0.0046 0.0027 735 GLU 48 HG3 0.0039 -0.0059 0.0029 736 GLU 48 HG2 0.0039 -0.0084 0.0029 737 TYR 49 N -0.0038 -0.0067 0.0063 738 TYR 49 CA -0.0055 -0.0081 0.0046 739 TYR 49 C -0.0055 -0.0070 0.0020 740 TYR 49 O -0.0048 -0.0060 0.0015 741 TYR 49 CB -0.0061 -0.0091 0.0049 742 TYR 49 CG -0.0079 -0.0108 0.0036 743 TYR 49 CD1 -0.0091 -0.0126 0.0040 744 TYR 49 CD2 -0.0083 -0.0107 0.0019 745 TYR 49 CE1 -0.0107 -0.0141 0.0028 746 TYR 49 CE2 -0.0099 -0.0123 0.0007 747 TYR 49 CZ -0.0111 -0.0140 0.0012 748 TYR 49 OH -0.0127 -0.0156 0.0000 749 TYR 49 H -0.0037 -0.0071 0.0076 750 TYR 49 HA -0.0063 -0.0093 0.0051 751 TYR 49 HB3 -0.0054 -0.0079 0.0044 752 TYR 49 HB2 -0.0059 -0.0096 0.0068 753 TYR 49 HD1 -0.0088 -0.0127 0.0053 754 TYR 49 HD2 -0.0074 -0.0093 0.0016 755 TYR 49 HE1 -0.0116 -0.0155 0.0032 756 TYR 49 HE2 -0.0103 -0.0121 -0.0006 757 TYR 49 HH -0.0134 -0.0166 0.0005 758 MET 50 N -0.0061 -0.0071 0.0004 759 MET 50 CA -0.0062 -0.0062 -0.0022 760 MET 50 C -0.0052 -0.0046 -0.0029 761 MET 50 O -0.0053 -0.0038 -0.0051 762 MET 50 CB -0.0080 -0.0077 -0.0038 763 MET 50 CG -0.0091 -0.0095 -0.0032 764 MET 50 SD -0.0112 -0.0113 -0.0051 765 MET 50 CE -0.0110 -0.0098 -0.0080 766 MET 50 H -0.0066 -0.0079 0.0009 767 MET 50 HA -0.0057 -0.0054 -0.0025 768 MET 50 HB3 -0.0080 -0.0070 -0.0057 769 MET 50 HB2 -0.0084 -0.0084 -0.0038 770 MET 50 HG3 -0.0090 -0.0102 -0.0013 771 MET 50 HG2 -0.0087 -0.0089 -0.0035 772 MET 50 HE1 -0.0121 -0.0107 -0.0094 773 MET 50 HE2 -0.0101 -0.0085 -0.0084 774 MET 50 HE3 -0.0105 -0.0093 -0.0079 775 PHE 51 N -0.0015 -0.0010 0.0017 776 PHE 51 CA -0.0009 0.0002 0.0016 777 PHE 51 C -0.0012 0.0006 0.0016 778 PHE 51 O -0.0015 -0.0003 0.0017 779 PHE 51 CB 0.0006 -0.0000 0.0017 780 PHE 51 CG 0.0011 -0.0003 0.0017 781 PHE 51 CD1 0.0007 0.0004 0.0016 782 PHE 51 CD2 0.0019 -0.0013 0.0018 783 PHE 51 CE1 0.0011 0.0001 0.0016 784 PHE 51 CE2 0.0024 -0.0016 0.0018 785 PHE 51 CZ 0.0020 -0.0009 0.0017 786 PHE 51 H -0.0010 -0.0018 0.0018 787 PHE 51 HA -0.0011 0.0010 0.0015 788 PHE 51 HB3 0.0011 0.0008 0.0016 789 PHE 51 HB2 0.0009 -0.0008 0.0017 790 PHE 51 HD1 0.0000 0.0012 0.0015 791 PHE 51 HD2 0.0023 -0.0019 0.0019 792 PHE 51 HE1 0.0008 0.0007 0.0016 793 PHE 51 HE2 0.0030 -0.0024 0.0019 794 PHE 51 HZ 0.0023 -0.0011 0.0018 795 MET 52 N -0.0014 0.0018 0.0014 796 MET 52 CA -0.0015 0.0024 0.0014 797 MET 52 C -0.0027 0.0019 0.0014 798 MET 52 O -0.0028 0.0018 0.0014 799 MET 52 CB -0.0004 0.0021 0.0014 800 MET 52 CG 0.0009 0.0023 0.0014 801 MET 52 SD 0.0011 0.0040 0.0012 802 MET 52 CE 0.0014 0.0047 0.0011 803 MET 52 H -0.0013 0.0024 0.0014 804 MET 52 HA -0.0016 0.0034 0.0013 805 MET 52 HB3 -0.0004 0.0027 0.0014 806 MET 52 HB2 -0.0004 0.0011 0.0015 807 MET 52 HG3 0.0017 0.0021 0.0014 808 MET 52 HG2 0.0010 0.0017 0.0015 809 MET 52 HE1 0.0015 0.0058 0.0010 810 MET 52 HE2 0.0022 0.0043 0.0012 811 MET 52 HE3 0.0005 0.0046 0.0012 812 GLN 53 N -0.0028 -0.0004 -0.0009 813 GLN 53 CA -0.0030 -0.0009 0.0003 814 GLN 53 C -0.0032 -0.0007 0.0016 815 GLN 53 O -0.0030 0.0003 0.0018 816 GLN 53 CB -0.0029 -0.0002 0.0004 817 GLN 53 CG -0.0029 -0.0007 -0.0007 818 GLN 53 CD -0.0028 0.0000 -0.0006 819 GLN 53 OE1 -0.0028 0.0005 0.0005 820 GLN 53 NE2 -0.0026 0.0000 -0.0018 821 GLN 53 H -0.0026 0.0006 -0.0010 822 GLN 53 HA -0.0032 -0.0020 0.0002 823 GLN 53 HB3 -0.0031 -0.0004 0.0015 824 GLN 53 HB2 -0.0027 0.0009 0.0004 825 GLN 53 HG3 -0.0027 -0.0005 -0.0017 826 GLN 53 HG2 -0.0031 -0.0018 -0.0006 827 GLN 53 HE22 -0.0025 0.0005 -0.0018 828 GLN 53 HE21 -0.0026 -0.0004 -0.0026 829 LYS 54 N -0.0035 -0.0017 0.0025 830 LYS 54 CA -0.0036 -0.0017 0.0038 831 LYS 54 C -0.0037 -0.0014 0.0050 832 LYS 54 O -0.0036 -0.0005 0.0059 833 LYS 54 CB -0.0039 -0.0031 0.0040 834 LYS 54 CG -0.0041 -0.0034 0.0054 835 LYS 54 CD -0.0044 -0.0048 0.0054 836 LYS 54 CE -0.0046 -0.0051 0.0066 837 LYS 54 NZ -0.0049 -0.0066 0.0068 838 LYS 54 H -0.0036 -0.0025 0.0024 839 LYS 54 HA -0.0034 -0.0009 0.0037 840 LYS 54 HB3 -0.0040 -0.0039 0.0037 841 LYS 54 HB2 -0.0038 -0.0032 0.0032 842 LYS 54 HG3 -0.0040 -0.0026 0.0056 843 LYS 54 HG2 -0.0042 -0.0033 0.0062 844 LYS 54 HD3 -0.0045 -0.0056 0.0053 845 LYS 54 HD2 -0.0043 -0.0050 0.0044 846 LYS 54 HE3 -0.0044 -0.0045 0.0065 847 LYS 54 HE2 -0.0046 -0.0047 0.0076 848 LYS 54 HZ1 -0.0049 -0.0070 0.0059 849 LYS 54 HZ2 -0.0050 -0.0070 0.0072 850 LYS 54 HZ3 -0.0050 -0.0067 0.0074 851 TYR 55 N -0.0014 -0.0027 0.0086 852 TYR 55 CA -0.0011 -0.0025 0.0086 853 TYR 55 C 0.0011 -0.0015 0.0060 854 TYR 55 O 0.0012 -0.0017 0.0031 855 TYR 55 CB -0.0042 -0.0042 0.0082 856 TYR 55 CG -0.0063 -0.0052 0.0112 857 TYR 55 CD1 -0.0054 -0.0045 0.0145 858 TYR 55 CD2 -0.0092 -0.0068 0.0107 859 TYR 55 CE1 -0.0073 -0.0053 0.0172 860 TYR 55 CE2 -0.0112 -0.0076 0.0134 861 TYR 55 CZ -0.0102 -0.0069 0.0166 862 TYR 55 OH -0.0121 -0.0078 0.0193 863 TYR 55 H -0.0026 -0.0035 0.0067 864 TYR 55 HA -0.0003 -0.0020 0.0111 865 TYR 55 HB3 -0.0039 -0.0041 0.0078 866 TYR 55 HB2 -0.0051 -0.0049 0.0059 867 TYR 55 HD1 -0.0031 -0.0032 0.0149 868 TYR 55 HD2 -0.0100 -0.0074 0.0082 869 TYR 55 HE1 -0.0066 -0.0047 0.0197 870 TYR 55 HE2 -0.0134 -0.0089 0.0130 871 TYR 55 HH -0.0114 -0.0072 0.0213 872 PRO 56 N 0.0030 -0.0005 0.0069 873 PRO 56 CA 0.0053 0.0006 0.0047 874 PRO 56 C 0.0041 -0.0002 0.0016 875 PRO 56 O 0.0057 0.0005 -0.0009 876 PRO 56 CB 0.0069 0.0016 0.0070 877 PRO 56 CG 0.0046 0.0006 0.0097 878 PRO 56 CD 0.0029 -0.0003 0.0102 879 PRO 56 HA 0.0069 0.0014 0.0039 880 PRO 56 HB3 0.0088 0.0027 0.0081 881 PRO 56 HB2 0.0074 0.0018 0.0055 882 PRO 56 HG3 0.0057 0.0014 0.0120 883 PRO 56 HG2 0.0031 -0.0003 0.0088 884 PRO 56 HD2 0.0006 -0.0015 0.0109 885 PRO 56 HD3 0.0040 0.0004 0.0120 886 HIS 57 N -0.0007 -0.0032 -0.0005 887 HIS 57 CA -0.0014 -0.0028 -0.0021 888 HIS 57 C -0.0023 -0.0024 -0.0039 889 HIS 57 O -0.0020 -0.0015 -0.0055 890 HIS 57 CB -0.0029 -0.0037 -0.0016 891 HIS 57 CG -0.0037 -0.0033 -0.0032 892 HIS 57 ND1 -0.0052 -0.0033 -0.0046 893 HIS 57 CD2 -0.0031 -0.0028 -0.0037 894 HIS 57 CE1 -0.0055 -0.0029 -0.0059 895 HIS 57 NE2 -0.0043 -0.0026 -0.0053 896 HIS 57 H -0.0013 -0.0041 0.0007 897 HIS 57 HA -0.0002 -0.0021 -0.0024 898 HIS 57 HB3 -0.0041 -0.0044 -0.0012 899 HIS 57 HB2 -0.0023 -0.0040 -0.0004 900 HIS 57 HD2 -0.0019 -0.0027 -0.0028 901 HIS 57 HE1 -0.0067 -0.0028 -0.0071 902 HIS 57 HE2 -0.0041 -0.0022 -0.0059 903 THR 58 N -0.0033 -0.0029 -0.0036 904 THR 58 CA -0.0042 -0.0026 -0.0051 905 THR 58 C -0.0027 -0.0014 -0.0063 906 THR 58 O -0.0030 -0.0007 -0.0081 907 THR 58 CB -0.0051 -0.0034 -0.0043 908 THR 58 OG1 -0.0065 -0.0045 -0.0033 909 THR 58 CG2 -0.0061 -0.0031 -0.0059 910 THR 58 H -0.0035 -0.0036 -0.0023 911 THR 58 HA -0.0052 -0.0027 -0.0061 912 THR 58 HB -0.0040 -0.0034 -0.0034 913 THR 58 HG1 -0.0077 -0.0047 -0.0041 914 THR 58 HG21 -0.0068 -0.0037 -0.0053 915 THR 58 HG22 -0.0050 -0.0022 -0.0068 916 THR 58 HG23 -0.0072 -0.0031 -0.0069 917 HIS 59 N -0.0049 -0.0037 -0.0072 918 HIS 59 CA -0.0039 -0.0031 -0.0078 919 HIS 59 C -0.0027 -0.0017 -0.0090 920 HIS 59 O -0.0027 -0.0006 -0.0099 921 HIS 59 CB -0.0025 -0.0043 -0.0068 922 HIS 59 CG -0.0014 -0.0038 -0.0073 923 HIS 59 ND1 0.0005 -0.0035 -0.0076 924 HIS 59 CD2 -0.0024 -0.0034 -0.0076 925 HIS 59 CE1 0.0007 -0.0030 -0.0080 926 HIS 59 NE2 -0.0010 -0.0029 -0.0080 927 HIS 59 H -0.0045 -0.0048 -0.0063 928 HIS 59 HA -0.0051 -0.0028 -0.0080 929 HIS 59 HB3 -0.0015 -0.0048 -0.0064 930 HIS 59 HB2 -0.0034 -0.0053 -0.0059 931 HIS 59 HD2 -0.0039 -0.0035 -0.0074 932 HIS 59 HE1 0.0021 -0.0027 -0.0083 933 HIS 59 HE2 -0.0015 -0.0026 -0.0083 934 LEU 60 N -0.0018 -0.0017 -0.0090 935 LEU 60 CA -0.0005 -0.0005 -0.0101 936 LEU 60 C -0.0017 0.0010 -0.0113 937 LEU 60 O -0.0010 0.0022 -0.0124 938 LEU 60 CB 0.0007 -0.0009 -0.0098 939 LEU 60 CG 0.0023 -0.0022 -0.0088 940 LEU 60 CD1 0.0031 -0.0029 -0.0082 941 LEU 60 CD2 0.0040 -0.0015 -0.0094 942 LEU 60 H -0.0019 -0.0026 -0.0082 943 LEU 60 HA 0.0005 -0.0002 -0.0104 944 LEU 60 HB3 0.0015 0.0001 -0.0106 945 LEU 60 HB2 -0.0002 -0.0013 -0.0094 946 LEU 60 HG 0.0016 -0.0030 -0.0080 947 LEU 60 HD11 0.0042 -0.0038 -0.0075 948 LEU 60 HD12 0.0019 -0.0034 -0.0077 949 LEU 60 HD13 0.0038 -0.0020 -0.0090 950 LEU 60 HD21 0.0051 -0.0024 -0.0087 951 LEU 60 HD22 0.0047 -0.0006 -0.0102 952 LEU 60 HD23 0.0034 -0.0010 -0.0098 953 VAL 61 N -0.0037 0.0011 -0.0136 954 VAL 61 CA -0.0050 0.0025 -0.0147 955 VAL 61 C -0.0055 0.0029 -0.0151 956 VAL 61 O -0.0056 0.0042 -0.0164 957 VAL 61 CB -0.0070 0.0024 -0.0141 958 VAL 61 CG1 -0.0086 0.0037 -0.0152 959 VAL 61 CG2 -0.0066 0.0022 -0.0141 960 VAL 61 H -0.0042 0.0002 -0.0125 961 VAL 61 HA -0.0043 0.0032 -0.0157 962 VAL 61 HB -0.0076 0.0015 -0.0130 963 VAL 61 HG11 -0.0100 0.0036 -0.0148 964 VAL 61 HG12 -0.0089 0.0038 -0.0152 965 VAL 61 HG13 -0.0080 0.0047 -0.0164 966 VAL 61 HG21 -0.0080 0.0022 -0.0137 967 VAL 61 HG22 -0.0059 0.0031 -0.0152 968 VAL 61 HG23 -0.0055 0.0012 -0.0133 969 GLN 62 N -0.0058 0.0019 -0.0139 970 GLN 62 CA -0.0063 0.0022 -0.0141 971 GLN 62 C -0.0046 0.0029 -0.0153 972 GLN 62 O -0.0051 0.0038 -0.0162 973 GLN 62 CB -0.0066 0.0009 -0.0126 974 GLN 62 CG -0.0086 0.0004 -0.0116 975 GLN 62 CD -0.0087 -0.0010 -0.0100 976 GLN 62 OE1 -0.0076 -0.0021 -0.0091 977 GLN 62 NE2 -0.0102 -0.0011 -0.0096 978 GLN 62 H -0.0058 0.0009 -0.0129 979 GLN 62 HA -0.0077 0.0030 -0.0146 980 GLN 62 HB3 -0.0065 0.0010 -0.0128 981 GLN 62 HB2 -0.0054 0.0000 -0.0120 982 GLN 62 HG3 -0.0089 0.0004 -0.0115 983 GLN 62 HG2 -0.0099 0.0012 -0.0121 984 GLN 62 HE22 -0.0103 -0.0020 -0.0086 985 GLN 62 HE21 -0.0111 -0.0002 -0.0103 986 GLN 63 N -0.0082 0.0056 -0.0163 987 GLN 63 CA -0.0068 0.0071 -0.0168 988 GLN 63 C -0.0060 0.0092 -0.0174 989 GLN 63 O -0.0062 0.0111 -0.0181 990 GLN 63 CB -0.0046 0.0060 -0.0161 991 GLN 63 CG -0.0051 0.0044 -0.0156 992 GLN 63 CD -0.0030 0.0041 -0.0153 993 GLN 63 OE1 -0.0012 0.0033 -0.0148 994 GLN 63 NE2 -0.0031 0.0048 -0.0155 995 GLN 63 H -0.0075 0.0041 -0.0158 996 GLN 63 HA -0.0079 0.0076 -0.0170 997 GLN 63 HB3 -0.0034 0.0073 -0.0164 998 GLN 63 HB2 -0.0037 0.0052 -0.0157 999 GLN 63 HG3 -0.0057 0.0028 -0.0151 1000 GLN 63 HG2 -0.0066 0.0050 -0.0160 1001 GLN 63 HE22 -0.0017 0.0046 -0.0153 1002 GLN 63 HE21 -0.0046 0.0055 -0.0159 1003 ALA 64 N -0.0051 0.0089 -0.0172 1004 ALA 64 CA -0.0043 0.0107 -0.0178 1005 ALA 64 C -0.0063 0.0122 -0.0185 1006 ALA 64 O -0.0061 0.0142 -0.0192 1007 ALA 64 CB -0.0030 0.0099 -0.0173 1008 ALA 64 H -0.0050 0.0073 -0.0166 1009 ALA 64 HA -0.0030 0.0118 -0.0180 1010 ALA 64 HB1 -0.0024 0.0113 -0.0178 1011 ALA 64 HB2 -0.0015 0.0089 -0.0168 1012 ALA 64 HB3 -0.0042 0.0088 -0.0171 1013 ASN 65 N -0.0141 0.0143 -0.0178 1014 ASN 65 CA -0.0141 0.0135 -0.0189 1015 ASN 65 C -0.0126 0.0129 -0.0164 1016 ASN 65 O -0.0132 0.0144 -0.0157 1017 ASN 65 CB -0.0163 0.0159 -0.0205 1018 ASN 65 CG -0.0166 0.0149 -0.0224 1019 ASN 65 OD1 -0.0183 0.0169 -0.0235 1020 ASN 65 ND2 -0.0153 0.0123 -0.0228 1021 ASN 65 H -0.0142 0.0134 -0.0191 1022 ASN 65 HA -0.0138 0.0114 -0.0207 1023 ASN 65 HB3 -0.0166 0.0179 -0.0187 1024 ASN 65 HB2 -0.0174 0.0165 -0.0220 1025 ASN 65 HD22 -0.0155 0.0116 -0.0241 1026 ASN 65 HD21 -0.0140 0.0108 -0.0219 1027 PRO 66 N -0.0106 0.0107 -0.0149 1028 PRO 66 CA -0.0091 0.0101 -0.0124 1029 PRO 66 C -0.0087 0.0085 -0.0136 1030 PRO 66 O -0.0093 0.0073 -0.0164 1031 PRO 66 CB -0.0072 0.0083 -0.0108 1032 PRO 66 CG -0.0075 0.0066 -0.0133 1033 PRO 66 CD -0.0097 0.0087 -0.0155 1034 PRO 66 HA -0.0096 0.0122 -0.0108 1035 PRO 66 HB3 -0.0073 0.0097 -0.0091 1036 PRO 66 HB2 -0.0059 0.0067 -0.0099 1037 PRO 66 HG3 -0.0067 0.0061 -0.0124 1038 PRO 66 HG2 -0.0069 0.0046 -0.0146 1039 PRO 66 HD2 -0.0101 0.0074 -0.0179 1040 PRO 66 HD3 -0.0102 0.0100 -0.0149 1041 ARG 67 N -0.0106 -0.0128 -0.0085 1042 ARG 67 CA -0.0043 -0.0077 -0.0004 1043 ARG 67 C 0.0034 -0.0018 -0.0049 1044 ARG 67 O 0.0073 0.0010 -0.0128 1045 ARG 67 CB -0.0015 -0.0055 0.0046 1046 ARG 67 CG 0.0068 0.0012 0.0104 1047 ARG 67 CD 0.0064 0.0011 0.0207 1048 ARG 67 NE -0.0022 -0.0055 0.0250 1049 ARG 67 CZ -0.0044 -0.0070 0.0325 1050 ARG 67 NH1 0.0013 -0.0025 0.0367 1051 ARG 67 NH2 -0.0123 -0.0131 0.0360 1052 ARG 67 H -0.0120 -0.0140 -0.0102 1053 ARG 67 HA -0.0071 -0.0098 0.0057 1054 ARG 67 HB3 -0.0012 -0.0054 -0.0014 1055 ARG 67 HB2 -0.0064 -0.0092 0.0101 1056 ARG 67 HG3 0.0116 0.0048 0.0051 1057 ARG 67 HG2 0.0088 0.0028 0.0122 1058 ARG 67 HD3 0.0090 0.0031 0.0192 1059 ARG 67 HD2 0.0103 0.0043 0.0266 1060 ARG 67 HE -0.0065 -0.0089 0.0219 1061 ARG 67 HH12 -0.0004 -0.0037 0.0424 1062 ARG 67 HH11 0.0073 0.0022 0.0341 1063 ARG 67 HH22 -0.0139 -0.0143 0.0417 1064 ARG 67 HH21 -0.0166 -0.0166 0.0329 1065 GLY 68 N 0.0055 -0.0001 0.0002 1066 GLY 68 CA 0.0128 0.0056 -0.0027 1067 GLY 68 C 0.0110 0.0039 -0.0115 1068 GLY 68 O 0.0166 0.0083 -0.0155 1069 GLY 68 H 0.0019 -0.0028 0.0062 1070 GLY 68 HA3 0.0178 0.0094 -0.0053 1071 GLY 68 HA2 0.0151 0.0075 0.0043 1072 SER 69 N -0.0030 0.0057 -0.0152 1073 SER 69 CA -0.0034 0.0057 -0.0166 1074 SER 69 C -0.0034 0.0056 -0.0159 1075 SER 69 O -0.0043 0.0047 -0.0149 1076 SER 69 CB -0.0049 0.0048 -0.0176 1077 SER 69 OG -0.0060 0.0037 -0.0164 1078 SER 69 H -0.0038 0.0050 -0.0146 1079 SER 69 HA -0.0026 0.0065 -0.0176 1080 SER 69 HB3 -0.0049 0.0048 -0.0180 1081 SER 69 HB2 -0.0051 0.0048 -0.0187 1082 SER 69 HG -0.0061 0.0035 -0.0157 1083 ALA 70 N -0.0024 0.0064 -0.0164 1084 ALA 70 CA -0.0022 0.0064 -0.0158 1085 ALA 70 C -0.0032 0.0059 -0.0170 1086 ALA 70 O -0.0037 0.0058 -0.0185 1087 ALA 70 CB -0.0007 0.0076 -0.0158 1088 ALA 70 H -0.0017 0.0071 -0.0172 1089 ALA 70 HA -0.0025 0.0059 -0.0144 1090 ALA 70 HB1 -0.0006 0.0076 -0.0153 1091 ALA 70 HB2 0.0000 0.0080 -0.0149 1092 ALA 70 HB3 -0.0004 0.0081 -0.0171 1093 GLY 71 N -0.0054 0.0030 -0.0101 1094 GLY 71 CA -0.0044 0.0022 -0.0088 1095 GLY 71 C -0.0051 0.0018 -0.0075 1096 GLY 71 O -0.0064 0.0022 -0.0076 1097 GLY 71 H -0.0060 0.0033 -0.0105 1098 GLY 71 HA3 -0.0044 0.0021 -0.0084 1099 GLY 71 HA2 -0.0031 0.0020 -0.0092 1100 PRO 72 N -0.0042 0.0011 -0.0062 1101 PRO 72 CA -0.0048 0.0007 -0.0049 1102 PRO 72 C -0.0065 0.0009 -0.0041 1103 PRO 72 O -0.0068 0.0009 -0.0041 1104 PRO 72 CB -0.0035 -0.0001 -0.0037 1105 PRO 72 CG -0.0020 -0.0001 -0.0046 1106 PRO 72 CD -0.0026 0.0005 -0.0059 1107 PRO 72 HA -0.0050 0.0009 -0.0053 1108 PRO 72 HB3 -0.0032 -0.0004 -0.0033 1109 PRO 72 HB2 -0.0039 -0.0004 -0.0027 1110 PRO 72 HG3 -0.0013 -0.0001 -0.0052 1111 PRO 72 HG2 -0.0013 -0.0006 -0.0039 1112 PRO 72 HD2 -0.0030 0.0004 -0.0054 1113 PRO 72 HD3 -0.0018 0.0008 -0.0069 1114 CYS 73 N -0.0016 0.0003 -0.0004 1115 CYS 73 CA -0.0013 0.0005 -0.0004 1116 CYS 73 C -0.0012 0.0013 0.0000 1117 CYS 73 O -0.0017 0.0017 0.0003 1118 CYS 73 CB -0.0018 0.0001 -0.0005 1119 CYS 73 SG -0.0029 0.0003 -0.0003 1120 CYS 73 H -0.0022 0.0004 -0.0004 1121 CYS 73 HA -0.0007 0.0003 -0.0005 1122 CYS 73 HB3 -0.0018 -0.0005 -0.0008 1123 CYS 73 HB2 -0.0016 0.0002 -0.0005 1124 CYS 74 N -0.0007 0.0015 0.0001 1125 CYS 74 CA -0.0006 0.0023 0.0005 1126 CYS 74 C -0.0012 0.0025 0.0006 1127 CYS 74 O -0.0012 0.0022 0.0005 1128 CYS 74 CB 0.0003 0.0025 0.0005 1129 CYS 74 SG 0.0005 0.0035 0.0010 1130 CYS 74 H -0.0002 0.0012 -0.0001 1131 CYS 74 HA -0.0007 0.0027 0.0007 1132 CYS 74 HB3 0.0004 0.0022 0.0004 1133 CYS 74 HB2 0.0008 0.0023 0.0004 1134 THR 75 N 0.0013 0.0010 0.0046 1135 THR 75 CA 0.0012 0.0011 0.0045 1136 THR 75 C 0.0010 0.0016 0.0043 1137 THR 75 O 0.0009 0.0017 0.0042 1138 THR 75 CB 0.0009 0.0008 0.0046 1139 THR 75 OG1 0.0009 0.0009 0.0046 1140 THR 75 CG2 0.0004 0.0009 0.0045 1141 THR 75 H 0.0011 0.0011 0.0045 1142 THR 75 HA 0.0015 0.0011 0.0046 1143 THR 75 HB 0.0009 0.0005 0.0048 1144 THR 75 HG1 0.0009 0.0006 0.0047 1145 THR 75 HG21 0.0002 0.0007 0.0046 1146 THR 75 HG22 0.0003 0.0009 0.0045 1147 THR 75 HG23 0.0003 0.0012 0.0044 1148 PRO 76 N 0.0011 0.0018 0.0042 1149 PRO 76 CA 0.0010 0.0022 0.0040 1150 PRO 76 C 0.0005 0.0022 0.0039 1151 PRO 76 O 0.0002 0.0020 0.0040 1152 PRO 76 CB 0.0011 0.0024 0.0040 1153 PRO 76 CG 0.0015 0.0021 0.0041 1154 PRO 76 CD 0.0014 0.0017 0.0043 1155 PRO 76 HA 0.0011 0.0024 0.0039 1156 PRO 76 HB3 0.0012 0.0027 0.0038 1157 PRO 76 HB2 0.0009 0.0023 0.0040 1158 PRO 76 HG3 0.0018 0.0022 0.0041 1159 PRO 76 HG2 0.0015 0.0021 0.0042 1160 PRO 76 HD2 0.0012 0.0015 0.0044 1161 PRO 76 HD3 0.0017 0.0016 0.0044 1162 THR 77 N 0.0021 -0.0007 0.0058 1163 THR 77 CA 0.0017 -0.0008 0.0054 1164 THR 77 C 0.0019 -0.0006 0.0046 1165 THR 77 O 0.0017 -0.0007 0.0042 1166 THR 77 CB 0.0010 -0.0011 0.0054 1167 THR 77 OG1 0.0009 -0.0012 0.0052 1168 THR 77 CG2 0.0007 -0.0013 0.0061 1169 THR 77 H 0.0020 -0.0007 0.0057 1170 THR 77 HA 0.0017 -0.0008 0.0056 1171 THR 77 HB 0.0007 -0.0012 0.0050 1172 THR 77 HG1 0.0011 -0.0011 0.0055 1173 THR 77 HG21 0.0002 -0.0016 0.0061 1174 THR 77 HG22 0.0007 -0.0013 0.0063 1175 THR 77 HG23 0.0009 -0.0013 0.0065 1176 LYS 78 N 0.0024 -0.0004 0.0045 1177 LYS 78 CA 0.0027 -0.0002 0.0038 1178 LYS 78 C 0.0034 0.0001 0.0039 1179 LYS 78 O 0.0035 0.0001 0.0042 1180 LYS 78 CB 0.0023 -0.0003 0.0032 1181 LYS 78 CG 0.0026 -0.0001 0.0025 1182 LYS 78 CD 0.0022 -0.0003 0.0019 1183 LYS 78 CE 0.0025 -0.0001 0.0012 1184 LYS 78 NZ 0.0021 -0.0002 0.0007 1185 LYS 78 H 0.0025 -0.0004 0.0048 1186 LYS 78 HA 0.0027 -0.0002 0.0036 1187 LYS 78 HB3 0.0023 -0.0004 0.0034 1188 LYS 78 HB2 0.0018 -0.0006 0.0032 1189 LYS 78 HG3 0.0025 -0.0001 0.0023 1190 LYS 78 HG2 0.0031 0.0001 0.0025 1191 LYS 78 HD3 0.0021 -0.0003 0.0021 1192 LYS 78 HD2 0.0017 -0.0005 0.0019 1193 LYS 78 HE3 0.0025 -0.0001 0.0010 1194 LYS 78 HE2 0.0030 0.0002 0.0013 1195 LYS 78 HZ1 0.0021 -0.0002 0.0009 1196 LYS 78 HZ2 0.0023 -0.0001 0.0002 1197 LYS 78 HZ3 0.0016 -0.0004 0.0006 1198 MET 79 N 0.0046 0.0018 0.0049 1199 MET 79 CA 0.0053 0.0014 0.0047 1200 MET 79 C 0.0056 0.0012 0.0041 1201 MET 79 O 0.0055 0.0013 0.0041 1202 MET 79 CB 0.0058 0.0013 0.0054 1203 MET 79 CG 0.0055 0.0015 0.0061 1204 MET 79 SD 0.0055 0.0015 0.0059 1205 MET 79 CE 0.0065 0.0011 0.0061 1206 MET 79 H 0.0046 0.0018 0.0051 1207 MET 79 HA 0.0052 0.0015 0.0045 1208 MET 79 HB3 0.0063 0.0011 0.0053 1209 MET 79 HB2 0.0059 0.0013 0.0056 1210 MET 79 HG3 0.0058 0.0015 0.0066 1211 MET 79 HG2 0.0049 0.0018 0.0061 1212 MET 79 HE1 0.0066 0.0010 0.0061 1213 MET 79 HE2 0.0066 0.0011 0.0067 1214 MET 79 HE3 0.0067 0.0009 0.0057 1215 SER 80 N 0.0060 0.0010 0.0037 1216 SER 80 CA 0.0064 0.0007 0.0031 1217 SER 80 C 0.0072 0.0004 0.0032 1218 SER 80 O 0.0074 0.0004 0.0035 1219 SER 80 CB 0.0062 0.0007 0.0023 1220 SER 80 OG 0.0056 0.0010 0.0021 1221 SER 80 H 0.0060 0.0010 0.0037 1222 SER 80 HA 0.0064 0.0008 0.0032 1223 SER 80 HB3 0.0066 0.0005 0.0019 1224 SER 80 HB2 0.0060 0.0008 0.0023 1225 SER 80 HG 0.0052 0.0012 0.0023 1226 PRO 81 N 0.0098 0.0026 0.0025 1227 PRO 81 CA 0.0096 0.0015 0.0024 1228 PRO 81 C 0.0106 0.0020 0.0018 1229 PRO 81 O 0.0112 0.0033 0.0016 1230 PRO 81 CB 0.0082 0.0017 0.0035 1231 PRO 81 CG 0.0081 0.0033 0.0040 1232 PRO 81 CD 0.0089 0.0038 0.0035 1233 PRO 81 HA 0.0097 0.0003 0.0021 1234 PRO 81 HB3 0.0076 0.0009 0.0038 1235 PRO 81 HB2 0.0082 0.0015 0.0035 1236 PRO 81 HG3 0.0071 0.0034 0.0047 1237 PRO 81 HG2 0.0084 0.0041 0.0039 1238 PRO 81 HD2 0.0094 0.0049 0.0033 1239 PRO 81 HD3 0.0083 0.0036 0.0039 1240 ILE 82 N 0.0106 0.0010 0.0015 1241 ILE 82 CA 0.0112 0.0014 0.0012 1242 ILE 82 C 0.0102 0.0008 0.0018 1243 ILE 82 O 0.0094 -0.0003 0.0022 1244 ILE 82 CB 0.0125 0.0008 0.0001 1245 ILE 82 CG1 0.0123 -0.0010 -0.0001 1246 ILE 82 CG2 0.0135 0.0015 -0.0005 1247 ILE 82 CD1 0.0134 -0.0017 -0.0011 1248 ILE 82 H 0.0103 -0.0002 0.0016 1249 ILE 82 HA 0.0113 0.0027 0.0014 1250 ILE 82 HB 0.0128 0.0011 -0.0000 1251 ILE 82 HG13 0.0114 -0.0015 0.0004 1252 ILE 82 HG12 0.0122 -0.0013 -0.0001 1253 ILE 82 HG21 0.0144 0.0010 -0.0013 1254 ILE 82 HG22 0.0136 0.0028 -0.0003 1255 ILE 82 HG23 0.0132 0.0013 -0.0003 1256 ILE 82 HD11 0.0132 -0.0030 -0.0013 1257 ILE 82 HD12 0.0135 -0.0015 -0.0011 1258 ILE 82 HD13 0.0143 -0.0013 -0.0017 1259 ASN 83 N 0.0108 0.0113 0.0033 1260 ASN 83 CA 0.0082 0.0112 0.0042 1261 ASN 83 C 0.0090 0.0092 0.0029 1262 ASN 83 O 0.0117 0.0094 0.0019 1263 ASN 83 CB 0.0078 0.0144 0.0060 1264 ASN 83 CG 0.0069 0.0164 0.0074 1265 ASN 83 OD1 0.0043 0.0157 0.0080 1266 ASN 83 ND2 0.0090 0.0190 0.0079 1267 ASN 83 H 0.0126 0.0132 0.0035 1268 ASN 83 HA 0.0059 0.0100 0.0045 1269 ASN 83 HB3 0.0059 0.0142 0.0067 1270 ASN 83 HB2 0.0100 0.0155 0.0057 1271 ASN 83 HD22 0.0085 0.0204 0.0088 1272 ASN 83 HD21 0.0110 0.0195 0.0074 1273 MET 84 N 0.0065 0.0071 0.0028 1274 MET 84 CA 0.0071 0.0050 0.0015 1275 MET 84 C 0.0045 0.0048 0.0024 1276 MET 84 O 0.0016 0.0052 0.0037 1277 MET 84 CB 0.0072 0.0018 -0.0002 1278 MET 84 CG 0.0100 0.0017 -0.0014 1279 MET 84 SD 0.0104 -0.0022 -0.0035 1280 MET 84 CE 0.0124 -0.0035 -0.0050 1281 MET 84 H 0.0043 0.0070 0.0036 1282 MET 84 HA 0.0094 0.0059 0.0010 1283 MET 84 HB3 0.0075 0.0002 -0.0011 1284 MET 84 HB2 0.0049 0.0008 0.0002 1285 MET 84 HG3 0.0096 0.0031 -0.0005 1286 MET 84 HG2 0.0123 0.0029 -0.0017 1287 MET 84 HE1 0.0128 -0.0058 -0.0064 1288 MET 84 HE2 0.0108 -0.0034 -0.0043 1289 MET 84 HE3 0.0147 -0.0019 -0.0051 1290 LEU 85 N 0.0020 0.0061 -0.0018 1291 LEU 85 CA 0.0014 0.0055 -0.0015 1292 LEU 85 C 0.0019 0.0035 -0.0020 1293 LEU 85 O 0.0034 0.0031 -0.0029 1294 LEU 85 CB 0.0021 0.0067 -0.0018 1295 LEU 85 CG 0.0013 0.0066 -0.0013 1296 LEU 85 CD1 -0.0004 0.0074 -0.0003 1297 LEU 85 CD2 0.0023 0.0077 -0.0018 1298 LEU 85 H 0.0032 0.0062 -0.0025 1299 LEU 85 HA 0.0001 0.0055 -0.0008 1300 LEU 85 HB3 0.0034 0.0064 -0.0026 1301 LEU 85 HB2 0.0022 0.0081 -0.0017 1302 LEU 85 HG 0.0012 0.0052 -0.0014 1303 LEU 85 HD11 -0.0010 0.0073 0.0000 1304 LEU 85 HD12 -0.0011 0.0065 0.0000 1305 LEU 85 HD13 -0.0003 0.0088 -0.0002 1306 LEU 85 HD21 0.0017 0.0076 -0.0015 1307 LEU 85 HD22 0.0025 0.0091 -0.0018 1308 LEU 85 HD23 0.0035 0.0071 -0.0025 1309 TYR 86 N 0.0008 0.0022 -0.0015 1310 TYR 86 CA 0.0011 0.0002 -0.0019 1311 TYR 86 C -0.0001 -0.0010 -0.0013 1312 TYR 86 O -0.0014 -0.0003 -0.0006 1313 TYR 86 CB 0.0010 -0.0005 -0.0019 1314 TYR 86 CG -0.0007 -0.0003 -0.0009 1315 TYR 86 CD1 -0.0011 0.0013 -0.0005 1316 TYR 86 CD2 -0.0019 -0.0017 -0.0004 1317 TYR 86 CE1 -0.0026 0.0015 0.0004 1318 TYR 86 CE2 -0.0034 -0.0016 0.0005 1319 TYR 86 CZ -0.0038 0.0000 0.0009 1320 TYR 86 OH -0.0053 0.0002 0.0017 1321 TYR 86 H -0.0004 0.0025 -0.0008 1322 TYR 86 HA 0.0023 0.0000 -0.0026 1323 TYR 86 HB3 0.0019 0.0003 -0.0023 1324 TYR 86 HB2 0.0013 -0.0019 -0.0022 1325 TYR 86 HD1 -0.0002 0.0025 -0.0009 1326 TYR 86 HD2 -0.0016 -0.0030 -0.0007 1327 TYR 86 HE1 -0.0029 0.0028 0.0007 1328 TYR 86 HE2 -0.0043 -0.0027 0.0009 1329 TYR 86 HH -0.0054 0.0014 0.0019 1330 PHE 87 N -0.0032 -0.0000 -0.0015 1331 PHE 87 CA -0.0028 -0.0006 -0.0009 1332 PHE 87 C -0.0034 -0.0010 0.0002 1333 PHE 87 O -0.0036 -0.0012 0.0006 1334 PHE 87 CB -0.0017 -0.0013 -0.0009 1335 PHE 87 CG -0.0009 -0.0011 -0.0019 1336 PHE 87 CD1 -0.0005 -0.0011 -0.0022 1337 PHE 87 CD2 -0.0005 -0.0008 -0.0025 1338 PHE 87 CE1 0.0002 -0.0009 -0.0031 1339 PHE 87 CE2 0.0002 -0.0007 -0.0034 1340 PHE 87 CZ 0.0005 -0.0007 -0.0037 1341 PHE 87 H -0.0029 -0.0001 -0.0015 1342 PHE 87 HA -0.0028 -0.0004 -0.0012 1343 PHE 87 HB3 -0.0014 -0.0018 -0.0003 1344 PHE 87 HB2 -0.0016 -0.0014 -0.0007 1345 PHE 87 HD1 -0.0008 -0.0012 -0.0017 1346 PHE 87 HD2 -0.0008 -0.0008 -0.0023 1347 PHE 87 HE1 0.0004 -0.0009 -0.0033 1348 PHE 87 HE2 0.0004 -0.0005 -0.0039 1349 PHE 87 HZ 0.0011 -0.0005 -0.0044 1350 ASN 88 N -0.0038 -0.0010 0.0006 1351 ASN 88 CA -0.0043 -0.0014 0.0016 1352 ASN 88 C -0.0036 -0.0022 0.0022 1353 ASN 88 O -0.0026 -0.0025 0.0019 1354 ASN 88 CB -0.0050 -0.0011 0.0018 1355 ASN 88 CG -0.0045 -0.0012 0.0016 1356 ASN 88 OD1 -0.0036 -0.0016 0.0014 1357 ASN 88 ND2 -0.0051 -0.0009 0.0016 1358 ASN 88 H -0.0037 -0.0008 0.0001 1359 ASN 88 HA -0.0047 -0.0013 0.0018 1360 ASN 88 HB3 -0.0056 -0.0005 0.0014 1361 ASN 88 HB2 -0.0055 -0.0013 0.0026 1362 ASN 88 HD22 -0.0048 -0.0010 0.0014 1363 ASN 88 HD21 -0.0059 -0.0005 0.0018 1364 ASP 89 N -0.0058 -0.0022 0.0105 1365 ASP 89 CA -0.0033 0.0026 0.0126 1366 ASP 89 C 0.0002 0.0067 0.0108 1367 ASP 89 O 0.0017 0.0107 0.0137 1368 ASP 89 CB -0.0025 0.0028 0.0107 1369 ASP 89 CG -0.0011 0.0013 0.0046 1370 ASP 89 OD1 -0.0018 -0.0014 0.0019 1371 ASP 89 OD2 0.0008 0.0028 0.0025 1372 ASP 89 H -0.0068 -0.0048 0.0085 1373 ASP 89 HA -0.0046 0.0033 0.0170 1374 ASP 89 HB3 -0.0049 0.0004 0.0127 1375 ASP 89 HB2 -0.0006 0.0064 0.0122 1376 LYS 90 N 0.0014 0.0056 0.0059 1377 LYS 90 CA 0.0046 0.0091 0.0039 1378 LYS 90 C 0.0038 0.0091 0.0057 1379 LYS 90 O 0.0062 0.0116 0.0040 1380 LYS 90 CB 0.0064 0.0082 -0.0023 1381 LYS 90 CG 0.0077 0.0087 -0.0047 1382 LYS 90 CD 0.0079 0.0056 -0.0104 1383 LYS 90 CE 0.0101 0.0069 -0.0136 1384 LYS 90 NZ 0.0113 0.0052 -0.0195 1385 LYS 90 H 0.0001 0.0023 0.0035 1386 LYS 90 HA 0.0064 0.0127 0.0054 1387 LYS 90 HB3 0.0087 0.0106 -0.0038 1388 LYS 90 HB2 0.0046 0.0046 -0.0040 1389 LYS 90 HG3 0.0059 0.0075 -0.0022 1390 LYS 90 HG2 0.0104 0.0124 -0.0049 1391 LYS 90 HD3 0.0090 0.0059 -0.0126 1392 LYS 90 HD2 0.0052 0.0018 -0.0102 1393 LYS 90 HE3 0.0085 0.0053 -0.0124 1394 LYS 90 HE2 0.0124 0.0109 -0.0127 1395 LYS 90 HZ1 0.0127 0.0067 -0.0206 1396 LYS 90 HZ2 0.0128 0.0061 -0.0216 1397 LYS 90 HZ3 0.0091 0.0016 -0.0204 1398 GLN 91 N -0.0003 0.0008 0.0020 1399 GLN 91 CA -0.0009 0.0003 0.0011 1400 GLN 91 C -0.0007 -0.0006 0.0006 1401 GLN 91 O -0.0009 -0.0013 -0.0000 1402 GLN 91 CB -0.0008 -0.0001 0.0010 1403 GLN 91 CG -0.0010 0.0006 0.0014 1404 GLN 91 CD -0.0020 0.0014 0.0012 1405 GLN 91 OE1 -0.0027 0.0012 0.0005 1406 GLN 91 NE2 -0.0021 0.0023 0.0018 1407 GLN 91 H -0.0007 0.0015 0.0023 1408 GLN 91 HA -0.0017 0.0007 0.0009 1409 GLN 91 HB3 -0.0012 -0.0005 0.0003 1410 GLN 91 HB2 -0.0000 -0.0007 0.0011 1411 GLN 91 HG3 -0.0008 0.0003 0.0013 1412 GLN 91 HG2 -0.0005 0.0010 0.0021 1413 GLN 91 HE22 -0.0028 0.0028 0.0017 1414 GLN 91 HE21 -0.0015 0.0024 0.0023 1415 GLN 92 N -0.0005 -0.0004 0.0010 1416 GLN 92 CA -0.0004 -0.0011 0.0005 1417 GLN 92 C -0.0014 -0.0009 -0.0001 1418 GLN 92 O -0.0020 -0.0001 0.0001 1419 GLN 92 CB 0.0003 -0.0011 0.0011 1420 GLN 92 CG 0.0014 -0.0013 0.0017 1421 GLN 92 CD 0.0020 -0.0010 0.0023 1422 GLN 92 OE1 0.0017 -0.0003 0.0027 1423 GLN 92 NE2 0.0029 -0.0016 0.0026 1424 GLN 92 H -0.0003 0.0002 0.0015 1425 GLN 92 HA -0.0001 -0.0018 0.0001 1426 GLN 92 HB3 0.0003 -0.0015 0.0007 1427 GLN 92 HB2 0.0001 -0.0003 0.0014 1428 GLN 92 HG3 0.0013 -0.0009 0.0019 1429 GLN 92 HG2 0.0017 -0.0021 0.0013 1430 GLN 92 HE22 0.0034 -0.0015 0.0030 1431 GLN 92 HE21 0.0031 -0.0022 0.0023 1432 ILE 93 N -0.0034 -0.0003 0.0006 1433 ILE 93 CA -0.0032 0.0010 -0.0001 1434 ILE 93 C -0.0046 0.0019 0.0005 1435 ILE 93 O -0.0053 0.0026 0.0008 1436 ILE 93 CB -0.0025 0.0019 -0.0010 1437 ILE 93 CG1 -0.0012 0.0010 -0.0017 1438 ILE 93 CG2 -0.0024 0.0033 -0.0017 1439 ILE 93 CD1 -0.0005 0.0017 -0.0025 1440 ILE 93 H -0.0033 -0.0003 0.0005 1441 ILE 93 HA -0.0027 0.0007 -0.0003 1442 ILE 93 HB -0.0031 0.0023 -0.0008 1443 ILE 93 HG13 -0.0012 -0.0000 -0.0011 1444 ILE 93 HG12 -0.0006 0.0009 -0.0020 1445 ILE 93 HG21 -0.0019 0.0040 -0.0024 1446 ILE 93 HG22 -0.0034 0.0040 -0.0013 1447 ILE 93 HG23 -0.0019 0.0030 -0.0020 1448 ILE 93 HD11 0.0004 0.0010 -0.0029 1449 ILE 93 HD12 -0.0011 0.0019 -0.0021 1450 ILE 93 HD13 -0.0004 0.0028 -0.0030 1451 ILE 94 N -0.0048 0.0020 0.0006 1452 ILE 94 CA -0.0061 0.0028 0.0012 1453 ILE 94 C -0.0060 0.0041 0.0006 1454 ILE 94 O -0.0052 0.0039 0.0001 1455 ILE 94 CB -0.0067 0.0018 0.0022 1456 ILE 94 CG1 -0.0069 0.0005 0.0029 1457 ILE 94 CG2 -0.0081 0.0027 0.0028 1458 ILE 94 CD1 -0.0077 0.0010 0.0033 1459 ILE 94 H -0.0041 0.0016 0.0003 1460 ILE 94 HA -0.0067 0.0033 0.0015 1461 ILE 94 HB -0.0061 0.0014 0.0020 1462 ILE 94 HG13 -0.0073 -0.0003 0.0035 1463 ILE 94 HG12 -0.0059 -0.0001 0.0024 1464 ILE 94 HG21 -0.0085 0.0019 0.0035 1465 ILE 94 HG22 -0.0079 0.0035 0.0023 1466 ILE 94 HG23 -0.0087 0.0031 0.0031 1467 ILE 94 HD11 -0.0078 0.0000 0.0038 1468 ILE 94 HD12 -0.0087 0.0016 0.0038 1469 ILE 94 HD13 -0.0073 0.0017 0.0027 1470 TYR 95 N -0.0099 0.0090 0.0058 1471 TYR 95 CA -0.0069 0.0121 0.0058 1472 TYR 95 C -0.0092 0.0107 0.0061 1473 TYR 95 O -0.0139 0.0102 0.0075 1474 TYR 95 CB -0.0071 0.0179 0.0075 1475 TYR 95 CG -0.0050 0.0214 0.0079 1476 TYR 95 CD1 0.0003 0.0230 0.0067 1477 TYR 95 CD2 -0.0082 0.0231 0.0094 1478 TYR 95 CE1 0.0022 0.0262 0.0070 1479 TYR 95 CE2 -0.0063 0.0263 0.0097 1480 TYR 95 CZ -0.0010 0.0278 0.0085 1481 TYR 95 OH 0.0010 0.0310 0.0088 1482 TYR 95 H -0.0132 0.0103 0.0073 1483 TYR 95 HA -0.0029 0.0112 0.0042 1484 TYR 95 HB3 -0.0111 0.0188 0.0090 1485 TYR 95 HB2 -0.0050 0.0190 0.0072 1486 TYR 95 HD1 0.0029 0.0217 0.0055 1487 TYR 95 HD2 -0.0123 0.0220 0.0104 1488 TYR 95 HE1 0.0063 0.0274 0.0060 1489 TYR 95 HE2 -0.0088 0.0276 0.0109 1490 TYR 95 HH -0.0018 0.0318 0.0099 1491 GLY 96 N -0.0058 0.0102 0.0049 1492 GLY 96 CA -0.0077 0.0089 0.0051 1493 GLY 96 C -0.0039 0.0101 0.0042 1494 GLY 96 O 0.0008 0.0099 0.0027 1495 GLY 96 H -0.0020 0.0107 0.0038 1496 GLY 96 HA3 -0.0091 0.0048 0.0044 1497 GLY 96 HA2 -0.0112 0.0109 0.0068 1498 LYS 97 N -0.0018 0.0089 0.0056 1499 LYS 97 CA 0.0005 0.0088 0.0053 1500 LYS 97 C 0.0006 0.0048 0.0042 1501 LYS 97 O -0.0023 0.0032 0.0041 1502 LYS 97 CB -0.0011 0.0112 0.0062 1503 LYS 97 CG 0.0014 0.0118 0.0060 1504 LYS 97 CD -0.0003 0.0146 0.0070 1505 LYS 97 CE 0.0018 0.0183 0.0077 1506 LYS 97 NZ 0.0016 0.0199 0.0082 1507 LYS 97 H -0.0045 0.0093 0.0061 1508 LYS 97 HA 0.0033 0.0098 0.0052 1509 LYS 97 HB3 -0.0038 0.0101 0.0062 1510 LYS 97 HB2 -0.0018 0.0139 0.0070 1511 LYS 97 HG3 0.0041 0.0128 0.0059 1512 LYS 97 HG2 0.0017 0.0093 0.0052 1513 LYS 97 HD3 -0.0001 0.0136 0.0067 1514 LYS 97 HD2 -0.0032 0.0149 0.0074 1515 LYS 97 HE3 0.0047 0.0181 0.0073 1516 LYS 97 HE2 0.0006 0.0202 0.0084 1517 LYS 97 HZ1 0.0035 0.0188 0.0076 1518 LYS 97 HZ2 -0.0010 0.0195 0.0084 1519 LYS 97 HZ3 0.0021 0.0227 0.0089 1520 ILE 98 N 0.0039 0.0033 0.0033 1521 ILE 98 CA 0.0043 -0.0005 0.0022 1522 ILE 98 C 0.0058 -0.0011 0.0018 1523 ILE 98 O 0.0091 -0.0004 0.0016 1524 ILE 98 CB 0.0069 -0.0024 0.0014 1525 ILE 98 CG1 0.0057 -0.0015 0.0017 1526 ILE 98 CG2 0.0069 -0.0065 0.0002 1527 ILE 98 CD1 0.0019 -0.0030 0.0018 1528 ILE 98 H 0.0062 0.0048 0.0034 1529 ILE 98 HA 0.0015 -0.0019 0.0022 1530 ILE 98 HB 0.0097 -0.0012 0.0013 1531 ILE 98 HG13 0.0078 -0.0026 0.0012 1532 ILE 98 HG12 0.0059 0.0014 0.0025 1533 ILE 98 HG21 0.0088 -0.0077 -0.0004 1534 ILE 98 HG22 0.0080 -0.0069 -0.0000 1535 ILE 98 HG23 0.0041 -0.0076 0.0003 1536 ILE 98 HD11 0.0013 -0.0023 0.0021 1537 ILE 98 HD12 0.0017 -0.0059 0.0010 1538 ILE 98 HD13 -0.0002 -0.0018 0.0024 1539 PRO 99 N 0.0056 -0.0010 0.0054 1540 PRO 99 CA 0.0054 -0.0009 0.0054 1541 PRO 99 C 0.0060 -0.0016 0.0053 1542 PRO 99 O 0.0064 -0.0023 0.0053 1543 PRO 99 CB 0.0044 -0.0012 0.0058 1544 PRO 99 CG 0.0040 -0.0011 0.0060 1545 PRO 99 CD 0.0048 -0.0014 0.0057 1546 PRO 99 HA 0.0055 -0.0002 0.0053 1547 PRO 99 HB3 0.0041 -0.0007 0.0059 1548 PRO 99 HB2 0.0044 -0.0020 0.0059 1549 PRO 99 HG3 0.0037 -0.0004 0.0059 1550 PRO 99 HG2 0.0035 -0.0017 0.0062 1551 PRO 99 HD2 0.0048 -0.0021 0.0058 1552 PRO 99 HD3 0.0046 -0.0010 0.0057 1553 GLY 100 N 0.0062 -0.0013 0.0052 1554 GLY 100 CA 0.0067 -0.0019 0.0051 1555 GLY 100 C 0.0077 -0.0021 0.0048 1556 GLY 100 O 0.0080 -0.0029 0.0048 1557 GLY 100 H 0.0060 -0.0006 0.0052 1558 GLY 100 HA3 0.0063 -0.0026 0.0053 1559 GLY 100 HA2 0.0066 -0.0016 0.0051 1560 MET 101 N 0.0095 -0.0012 0.0022 1561 MET 101 CA 0.0090 -0.0013 0.0018 1562 MET 101 C 0.0084 -0.0012 0.0015 1563 MET 101 O 0.0080 -0.0010 0.0013 1564 MET 101 CB 0.0092 -0.0021 0.0016 1565 MET 101 CG 0.0097 -0.0022 0.0019 1566 MET 101 SD 0.0095 -0.0019 0.0019 1567 MET 101 CE 0.0091 -0.0025 0.0014 1568 MET 101 H 0.0096 -0.0015 0.0022 1569 MET 101 HA 0.0090 -0.0010 0.0019 1570 MET 101 HB3 0.0088 -0.0022 0.0013 1571 MET 101 HB2 0.0093 -0.0024 0.0016 1572 MET 101 HG3 0.0099 -0.0028 0.0018 1573 MET 101 HG2 0.0101 -0.0020 0.0022 1574 MET 101 HE1 0.0089 -0.0023 0.0013 1575 MET 101 HE2 0.0093 -0.0030 0.0013 1576 MET 101 HE3 0.0087 -0.0024 0.0012 1577 VAL 102 N 0.0084 -0.0012 0.0014 1578 VAL 102 CA 0.0078 -0.0011 0.0011 1579 VAL 102 C 0.0077 -0.0005 0.0013 1580 VAL 102 O 0.0082 -0.0004 0.0016 1581 VAL 102 CB 0.0078 -0.0017 0.0008 1582 VAL 102 CG1 0.0072 -0.0016 0.0005 1583 VAL 102 CG2 0.0078 -0.0023 0.0006 1584 VAL 102 H 0.0088 -0.0014 0.0016 1585 VAL 102 HA 0.0074 -0.0010 0.0009 1586 VAL 102 HB 0.0081 -0.0018 0.0010 1587 VAL 102 HG11 0.0071 -0.0020 0.0003 1588 VAL 102 HG12 0.0072 -0.0012 0.0007 1589 VAL 102 HG13 0.0068 -0.0015 0.0003 1590 VAL 102 HG21 0.0077 -0.0028 0.0004 1591 VAL 102 HG22 0.0074 -0.0022 0.0004 1592 VAL 102 HG23 0.0082 -0.0024 0.0008 1593 VAL 103 N 0.0041 0.0005 0.0030 1594 VAL 103 CA 0.0040 0.0008 0.0031 1595 VAL 103 C 0.0038 0.0005 0.0029 1596 VAL 103 O 0.0034 0.0003 0.0027 1597 VAL 103 CB 0.0036 0.0013 0.0032 1598 VAL 103 CG1 0.0035 0.0015 0.0032 1599 VAL 103 CG2 0.0039 0.0017 0.0034 1600 VAL 103 H 0.0039 0.0006 0.0030 1601 VAL 103 HA 0.0044 0.0009 0.0033 1602 VAL 103 HB 0.0033 0.0012 0.0031 1603 VAL 103 HG11 0.0032 0.0019 0.0033 1604 VAL 103 HG12 0.0032 0.0013 0.0031 1605 VAL 103 HG13 0.0038 0.0016 0.0034 1606 VAL 103 HG21 0.0036 0.0020 0.0035 1607 VAL 103 HG22 0.0043 0.0018 0.0036 1608 VAL 103 HG23 0.0040 0.0015 0.0034 1609 ASP 104 N 0.0041 0.0004 0.0030 1610 ASP 104 CA 0.0039 0.0001 0.0028 1611 ASP 104 C 0.0035 0.0004 0.0028 1612 ASP 104 O 0.0032 0.0002 0.0027 1613 ASP 104 CB 0.0043 -0.0002 0.0028 1614 ASP 104 CG 0.0047 -0.0005 0.0028 1615 ASP 104 OD1 0.0045 -0.0007 0.0026 1616 ASP 104 OD2 0.0052 -0.0006 0.0029 1617 ASP 104 H 0.0044 0.0006 0.0031 1618 ASP 104 HA 0.0036 -0.0002 0.0026 1619 ASP 104 HB3 0.0042 -0.0004 0.0027 1620 ASP 104 HB2 0.0046 0.0001 0.0030 1621 ARG 105 N 0.0017 0.0003 0.0037 1622 ARG 105 CA 0.0015 0.0001 0.0038 1623 ARG 105 C 0.0015 0.0006 0.0040 1624 ARG 105 O 0.0019 0.0010 0.0039 1625 ARG 105 CB 0.0018 -0.0003 0.0034 1626 ARG 105 CG 0.0016 -0.0006 0.0035 1627 ARG 105 CD 0.0019 -0.0009 0.0031 1628 ARG 105 NE 0.0021 -0.0013 0.0029 1629 ARG 105 CZ 0.0025 -0.0015 0.0026 1630 ARG 105 NH1 0.0028 -0.0014 0.0024 1631 ARG 105 NH2 0.0026 -0.0019 0.0024 1632 ARG 105 H 0.0020 0.0006 0.0037 1633 ARG 105 HA 0.0012 -0.0001 0.0039 1634 ARG 105 HB3 0.0022 -0.0001 0.0033 1635 ARG 105 HB2 0.0019 -0.0006 0.0033 1636 ARG 105 HG3 0.0013 -0.0008 0.0036 1637 ARG 105 HG2 0.0016 -0.0002 0.0036 1638 ARG 105 HD3 0.0018 -0.0012 0.0032 1639 ARG 105 HD2 0.0023 -0.0007 0.0030 1640 ARG 105 HE 0.0018 -0.0014 0.0030 1641 ARG 105 HH12 0.0031 -0.0015 0.0021 1642 ARG 105 HH11 0.0027 -0.0011 0.0025 1643 ARG 105 HH22 0.0029 -0.0020 0.0021 1644 ARG 105 HH21 0.0023 -0.0020 0.0025 1645 CYS 106 N 0.0011 0.0006 0.0042 1646 CYS 106 CA 0.0011 0.0010 0.0044 1647 CYS 106 C 0.0010 0.0008 0.0044 1648 CYS 106 O 0.0009 0.0004 0.0043 1649 CYS 106 CB 0.0006 0.0012 0.0048 1650 CYS 106 SG 0.0006 0.0015 0.0049 1651 CYS 106 H 0.0009 0.0002 0.0043 1652 CYS 106 HA 0.0014 0.0014 0.0043 1653 CYS 106 HB3 0.0005 0.0015 0.0050 1654 CYS 106 HB2 0.0003 0.0009 0.0049 1655 GLY 107 N -0.0017 0.0018 0.0024 1656 GLY 107 CA -0.0018 0.0016 0.0024 1657 GLY 107 C -0.0018 0.0010 0.0022 1658 GLY 107 O -0.0019 0.0007 0.0022 1659 GLY 107 H -0.0018 0.0016 0.0024 1660 GLY 107 HA3 -0.0022 0.0018 0.0024 1661 GLY 107 HA2 -0.0014 0.0018 0.0024 1662 CYS 108 N -0.0018 0.0008 0.0022 1663 CYS 108 CA -0.0019 0.0002 0.0020 1664 CYS 108 C -0.0025 -0.0000 0.0020 1665 CYS 108 O -0.0027 0.0001 0.0020 1666 CYS 108 CB -0.0014 -0.0000 0.0020 1667 CYS 108 SG -0.0007 0.0001 0.0020 1668 CYS 108 H -0.0018 0.0010 0.0022 1669 CYS 108 HA -0.0017 -0.0001 0.0020 1670 CYS 108 HB3 -0.0015 -0.0005 0.0019 1671 CYS 108 HB2 -0.0016 0.0002 0.0020 1672 SER 109 N -0.0041 -0.0020 0.0010 1673 SER 109 CA -0.0043 -0.0020 0.0010 1674 SER 109 C -0.0044 -0.0022 0.0002 1675 SER 109 O -0.0046 -0.0023 -0.0003 1676 SER 109 CB -0.0051 -0.0021 0.0013 1677 SER 109 OG -0.0051 -0.0020 0.0020 1678 SER 109 OXT -0.0041 -0.0021 0.0000 1679 SER 109 H -0.0044 -0.0021 0.0008 1680 SER 109 HA -0.0040 -0.0019 0.0012 1681 SER 109 HB3 -0.0052 -0.0022 0.0013 1682 SER 109 HB2 -0.0055 -0.0023 0.0010 1683 SER 109 HG -0.0050 -0.0020 0.0020 1684 ASN 1 N 0.0167 0.0062 -0.0063 1685 ASN 1 CA 0.0143 0.0096 -0.0059 1686 ASN 1 C 0.0080 0.0103 -0.0008 1687 ASN 1 O 0.0046 0.0158 -0.0007 1688 ASN 1 CB 0.0175 0.0057 -0.0067 1689 ASN 1 CG 0.0154 0.0091 -0.0067 1690 ASN 1 OD1 0.0180 0.0132 -0.0111 1691 ASN 1 ND2 0.0116 0.0078 -0.0026 1692 ASN 1 H1 0.0209 0.0057 -0.0096 1693 ASN 1 H2 0.0147 0.0088 -0.0059 1694 ASN 1 HA 0.0148 0.0145 -0.0090 1695 ASN 1 HB3 0.0172 0.0007 -0.0038 1696 ASN 1 HB2 0.0220 0.0052 -0.0103 1697 ASN 1 HD22 0.0103 0.0100 -0.0026 1698 ASN 1 HD21 0.0099 0.0045 0.0006 1699 LEU 2 N 0.0066 0.0048 0.0033 1700 LEU 2 CA 0.0008 0.0049 0.0084 1701 LEU 2 C -0.0013 0.0059 0.0097 1702 LEU 2 O -0.0062 0.0063 0.0137 1703 LEU 2 CB 0.0001 -0.0016 0.0124 1704 LEU 2 CG 0.0001 -0.0019 0.0126 1705 LEU 2 CD1 0.0017 -0.0090 0.0149 1706 LEU 2 CD2 -0.0058 0.0020 0.0156 1707 LEU 2 H 0.0097 0.0004 0.0030 1708 LEU 2 HA -0.0018 0.0090 0.0085 1709 LEU 2 HB3 -0.0037 -0.0023 0.0161 1710 LEU 2 HB2 0.0035 -0.0058 0.0116 1711 LEU 2 HG 0.0031 0.0004 0.0087 1712 LEU 2 HD11 0.0017 -0.0092 0.0150 1713 LEU 2 HD12 0.0060 -0.0117 0.0126 1714 LEU 2 HD13 -0.0012 -0.0114 0.0187 1715 LEU 2 HD21 -0.0058 0.0017 0.0158 1716 LEU 2 HD22 -0.0089 -0.0002 0.0195 1717 LEU 2 HD23 -0.0068 0.0071 0.0138 1718 GLY 3 N 0.0058 0.0043 0.0021 1719 GLY 3 CA 0.0064 0.0031 0.0026 1720 GLY 3 C 0.0064 0.0034 0.0006 1721 GLY 3 O 0.0062 0.0040 -0.0014 1722 GLY 3 H 0.0060 0.0041 0.0005 1723 GLY 3 HA3 0.0073 0.0014 0.0028 1724 GLY 3 HA2 0.0061 0.0036 0.0042 1725 LEU 4 N 0.0066 0.0029 0.0011 1726 LEU 4 CA 0.0066 0.0031 -0.0006 1727 LEU 4 C 0.0078 0.0010 -0.0014 1728 LEU 4 O 0.0085 -0.0005 -0.0000 1729 LEU 4 CB 0.0059 0.0043 0.0005 1730 LEU 4 CG 0.0056 0.0051 -0.0011 1731 LEU 4 CD1 0.0049 0.0065 -0.0031 1732 LEU 4 CD2 0.0050 0.0061 0.0003 1733 LEU 4 H 0.0068 0.0023 0.0028 1734 LEU 4 HA 0.0062 0.0040 -0.0021 1735 LEU 4 HB3 0.0063 0.0034 0.0020 1736 LEU 4 HB2 0.0051 0.0057 0.0014 1737 LEU 4 HG 0.0064 0.0037 -0.0020 1738 LEU 4 HD11 0.0047 0.0070 -0.0043 1739 LEU 4 HD12 0.0054 0.0057 -0.0041 1740 LEU 4 HD13 0.0042 0.0079 -0.0023 1741 LEU 4 HD21 0.0048 0.0066 -0.0009 1742 LEU 4 HD22 0.0042 0.0075 0.0012 1743 LEU 4 HD23 0.0055 0.0050 0.0016 1744 ASP 5 N 0.0079 0.0002 -0.0050 1745 ASP 5 CA 0.0079 -0.0007 -0.0053 1746 ASP 5 C 0.0080 -0.0014 -0.0054 1747 ASP 5 O 0.0077 -0.0013 -0.0057 1748 ASP 5 CB 0.0073 -0.0007 -0.0059 1749 ASP 5 CG 0.0072 -0.0002 -0.0057 1750 ASP 5 OD1 0.0078 -0.0000 -0.0052 1751 ASP 5 OD2 0.0066 -0.0000 -0.0061 1752 ASP 5 H 0.0074 0.0004 -0.0053 1753 ASP 5 HA 0.0084 -0.0008 -0.0049 1754 ASP 5 HB3 0.0072 -0.0014 -0.0061 1755 ASP 5 HB2 0.0068 -0.0004 -0.0062 1756 CYS 6 N 0.0085 -0.0021 -0.0053 1757 CYS 6 CA 0.0087 -0.0029 -0.0054 1758 CYS 6 C 0.0087 -0.0037 -0.0057 1759 CYS 6 O 0.0088 -0.0037 -0.0056 1760 CYS 6 CB 0.0094 -0.0029 -0.0048 1761 CYS 6 SG 0.0095 -0.0020 -0.0044 1762 CYS 6 H 0.0088 -0.0021 -0.0051 1763 CYS 6 HA 0.0082 -0.0028 -0.0057 1764 CYS 6 HB3 0.0095 -0.0035 -0.0050 1765 CYS 6 HB2 0.0098 -0.0031 -0.0045 1766 ASP 7 N 0.0104 -0.0054 -0.0041 1767 ASP 7 CA 0.0083 -0.0040 -0.0026 1768 ASP 7 C 0.0087 -0.0046 -0.0022 1769 ASP 7 O 0.0106 -0.0058 -0.0034 1770 ASP 7 CB 0.0072 -0.0042 0.0004 1771 ASP 7 CG 0.0088 -0.0066 0.0024 1772 ASP 7 OD1 0.0108 -0.0081 0.0014 1773 ASP 7 OD2 0.0081 -0.0069 0.0049 1774 ASP 7 H 0.0118 -0.0070 -0.0033 1775 ASP 7 HA 0.0070 -0.0023 -0.0039 1776 ASP 7 HB3 0.0067 -0.0037 0.0000 1777 ASP 7 HB2 0.0056 -0.0032 0.0015 1778 GLU 8 N 0.0070 -0.0036 -0.0005 1779 GLU 8 CA 0.0071 -0.0040 0.0000 1780 GLU 8 C 0.0090 -0.0064 0.0015 1781 GLU 8 O 0.0101 -0.0073 0.0012 1782 GLU 8 CB 0.0049 -0.0026 0.0019 1783 GLU 8 CG 0.0037 -0.0026 0.0044 1784 GLU 8 CD 0.0014 -0.0012 0.0061 1785 GLU 8 OE1 0.0008 -0.0003 0.0054 1786 GLU 8 OE2 0.0002 -0.0009 0.0082 1787 GLU 8 H 0.0054 -0.0026 0.0004 1788 GLU 8 HA 0.0076 -0.0036 -0.0021 1789 GLU 8 HB3 0.0037 -0.0010 0.0005 1790 GLU 8 HB2 0.0051 -0.0032 0.0027 1791 GLU 8 HG3 0.0048 -0.0043 0.0058 1792 GLU 8 HG2 0.0034 -0.0020 0.0036 1793 HIS 9 N 0.0090 -0.0072 0.0035 1794 HIS 9 CA 0.0099 -0.0104 0.0046 1795 HIS 9 C 0.0116 -0.0123 0.0029 1796 HIS 9 O 0.0121 -0.0147 0.0042 1797 HIS 9 CB 0.0087 -0.0112 0.0079 1798 HIS 9 CG 0.0069 -0.0092 0.0098 1799 HIS 9 ND1 0.0053 -0.0076 0.0116 1800 HIS 9 CD2 0.0065 -0.0086 0.0101 1801 HIS 9 CE1 0.0040 -0.0061 0.0129 1802 HIS 9 NE2 0.0046 -0.0066 0.0121 1803 HIS 9 H 0.0080 -0.0061 0.0045 1804 HIS 9 HA 0.0103 -0.0109 0.0043 1805 HIS 9 HB3 0.0093 -0.0135 0.0087 1806 HIS 9 HB2 0.0085 -0.0110 0.0082 1807 HIS 9 HD1 0.0053 -0.0077 0.0117 1808 HIS 9 HD2 0.0075 -0.0096 0.0088 1809 HIS 9 HE1 0.0026 -0.0047 0.0145 1810 SER 10 N 0.0125 -0.0112 0.0001 1811 SER 10 CA 0.0142 -0.0130 -0.0018 1812 SER 10 C 0.0157 -0.0137 -0.0043 1813 SER 10 O 0.0154 -0.0118 -0.0055 1814 SER 10 CB 0.0140 -0.0113 -0.0031 1815 SER 10 OG 0.0126 -0.0106 -0.0009 1816 SER 10 H 0.0120 -0.0092 -0.0009 1817 SER 10 HA 0.0145 -0.0151 -0.0004 1818 SER 10 HB3 0.0153 -0.0126 -0.0045 1819 SER 10 HB2 0.0138 -0.0092 -0.0046 1820 SER 10 HG 0.0129 -0.0124 0.0003 1821 SER 11 N 0.0092 -0.0086 -0.0030 1822 SER 11 CA 0.0119 -0.0090 -0.0017 1823 SER 11 C 0.0128 -0.0058 -0.0002 1824 SER 11 O 0.0142 -0.0052 0.0008 1825 SER 11 CB 0.0115 -0.0106 -0.0023 1826 SER 11 OG 0.0092 -0.0090 -0.0031 1827 SER 11 H 0.0075 -0.0076 -0.0037 1828 SER 11 HA 0.0135 -0.0105 -0.0012 1829 SER 11 HB3 0.0112 -0.0129 -0.0033 1830 SER 11 HB2 0.0135 -0.0106 -0.0013 1831 SER 11 HG 0.0095 -0.0069 -0.0023 1832 GLU 12 N 0.0119 -0.0038 -0.0000 1833 GLU 12 CA 0.0124 -0.0007 0.0013 1834 GLU 12 C 0.0155 -0.0003 0.0031 1835 GLU 12 O 0.0165 -0.0011 0.0034 1836 GLU 12 CB 0.0104 0.0012 0.0007 1837 GLU 12 CG 0.0108 0.0046 0.0020 1838 GLU 12 CD 0.0104 0.0062 0.0022 1839 GLU 12 OE1 0.0080 0.0067 0.0010 1840 GLU 12 OE2 0.0125 0.0069 0.0036 1841 GLU 12 H 0.0108 -0.0045 -0.0008 1842 GLU 12 HA 0.0120 0.0003 0.0013 1843 GLU 12 HB3 0.0106 0.0002 0.0005 1844 GLU 12 HB2 0.0082 0.0011 -0.0006 1845 GLU 12 HG3 0.0130 0.0047 0.0032 1846 GLU 12 HG2 0.0094 0.0057 0.0015 1847 SER 13 N 0.0092 0.0067 0.0036 1848 SER 13 CA 0.0089 0.0062 0.0049 1849 SER 13 C 0.0088 0.0055 0.0058 1850 SER 13 O 0.0088 0.0048 0.0068 1851 SER 13 CB 0.0079 0.0071 0.0054 1852 SER 13 OG 0.0072 0.0078 0.0057 1853 SER 13 H 0.0087 0.0075 0.0034 1854 SER 13 HA 0.0094 0.0055 0.0048 1855 SER 13 HB3 0.0079 0.0076 0.0047 1856 SER 13 HB2 0.0078 0.0067 0.0062 1857 SER 13 HG 0.0072 0.0074 0.0064 1858 ARG 14 N 0.0087 0.0059 0.0056 1859 ARG 14 CA 0.0086 0.0053 0.0064 1860 ARG 14 C 0.0095 0.0041 0.0064 1861 ARG 14 O 0.0103 0.0037 0.0055 1862 ARG 14 CB 0.0083 0.0061 0.0061 1863 ARG 14 CG 0.0074 0.0074 0.0061 1864 ARG 14 CD 0.0067 0.0078 0.0068 1865 ARG 14 NE 0.0059 0.0090 0.0066 1866 ARG 14 CZ 0.0052 0.0096 0.0072 1867 ARG 14 NH1 0.0052 0.0090 0.0080 1868 ARG 14 NH2 0.0045 0.0107 0.0069 1869 ARG 14 H 0.0087 0.0065 0.0047 1870 ARG 14 HA 0.0081 0.0053 0.0074 1871 ARG 14 HB3 0.0082 0.0057 0.0069 1872 ARG 14 HB2 0.0088 0.0060 0.0053 1873 ARG 14 HG3 0.0075 0.0079 0.0051 1874 ARG 14 HG2 0.0071 0.0075 0.0064 1875 ARG 14 HD3 0.0064 0.0073 0.0078 1876 ARG 14 HD2 0.0070 0.0075 0.0066 1877 ARG 14 HE 0.0059 0.0095 0.0060 1878 ARG 14 HH12 0.0046 0.0094 0.0084 1879 ARG 14 HH11 0.0057 0.0081 0.0082 1880 ARG 14 HH22 0.0039 0.0112 0.0073 1881 ARG 14 HH21 0.0045 0.0112 0.0063 1882 CYS 15 N 0.0056 0.0038 0.0046 1883 CYS 15 CA 0.0056 0.0020 0.0038 1884 CYS 15 C 0.0061 0.0019 0.0018 1885 CYS 15 O 0.0064 0.0032 0.0008 1886 CYS 15 CB 0.0054 0.0018 0.0044 1887 CYS 15 SG 0.0054 -0.0002 0.0035 1888 CYS 15 H 0.0055 0.0045 0.0055 1889 CYS 15 HA 0.0053 0.0009 0.0044 1890 CYS 15 HB3 0.0057 0.0030 0.0039 1891 CYS 15 HB2 0.0051 0.0019 0.0058 1892 CYS 16 N 0.0061 0.0005 0.0011 1893 CYS 16 CA 0.0065 0.0004 -0.0008 1894 CYS 16 C 0.0065 -0.0016 -0.0015 1895 CYS 16 O 0.0061 -0.0029 -0.0005 1896 CYS 16 CB 0.0066 0.0013 -0.0009 1897 CYS 16 SG 0.0073 0.0019 -0.0031 1898 CYS 16 H 0.0057 -0.0006 0.0019 1899 CYS 16 HA 0.0068 0.0012 -0.0016 1900 CYS 16 HB3 0.0064 0.0005 -0.0003 1901 CYS 16 HB2 0.0066 0.0026 -0.0000 1902 ARG 17 N 0.0038 -0.0030 -0.0048 1903 ARG 17 CA 0.0037 -0.0028 -0.0047 1904 ARG 17 C 0.0036 -0.0031 -0.0048 1905 ARG 17 O 0.0033 -0.0034 -0.0048 1906 ARG 17 CB 0.0034 -0.0025 -0.0045 1907 ARG 17 CG 0.0034 -0.0023 -0.0045 1908 ARG 17 CD 0.0031 -0.0020 -0.0043 1909 ARG 17 NE 0.0027 -0.0022 -0.0042 1910 ARG 17 CZ 0.0024 -0.0020 -0.0041 1911 ARG 17 NH1 0.0025 -0.0017 -0.0040 1912 ARG 17 NH2 0.0020 -0.0022 -0.0040 1913 ARG 17 H 0.0035 -0.0031 -0.0048 1914 ARG 17 HA 0.0040 -0.0027 -0.0048 1915 ARG 17 HB3 0.0031 -0.0027 -0.0045 1916 ARG 17 HB2 0.0035 -0.0023 -0.0045 1917 ARG 17 HG3 0.0037 -0.0022 -0.0045 1918 ARG 17 HG2 0.0034 -0.0025 -0.0045 1919 ARG 17 HD3 0.0032 -0.0018 -0.0042 1920 ARG 17 HD2 0.0032 -0.0018 -0.0042 1921 ARG 17 HE 0.0027 -0.0024 -0.0043 1922 ARG 17 HH12 0.0022 -0.0016 -0.0039 1923 ARG 17 HH11 0.0027 -0.0016 -0.0040 1924 ARG 17 HH22 0.0018 -0.0021 -0.0039 1925 ARG 17 HH21 0.0020 -0.0024 -0.0041 1926 TYR 18 N 0.0039 -0.0032 -0.0049 1927 TYR 18 CA 0.0038 -0.0035 -0.0050 1928 TYR 18 C 0.0037 -0.0032 -0.0049 1929 TYR 18 O 0.0038 -0.0029 -0.0048 1930 TYR 18 CB 0.0042 -0.0037 -0.0052 1931 TYR 18 CG 0.0043 -0.0040 -0.0053 1932 TYR 18 CD1 0.0045 -0.0038 -0.0053 1933 TYR 18 CD2 0.0041 -0.0044 -0.0054 1934 TYR 18 CE1 0.0045 -0.0041 -0.0054 1935 TYR 18 CE2 0.0042 -0.0046 -0.0055 1936 TYR 18 CZ 0.0044 -0.0045 -0.0055 1937 TYR 18 OH 0.0045 -0.0047 -0.0056 1938 TYR 18 H 0.0041 -0.0030 -0.0049 1939 TYR 18 HA 0.0035 -0.0037 -0.0050 1940 TYR 18 HB3 0.0041 -0.0038 -0.0052 1941 TYR 18 HB2 0.0044 -0.0035 -0.0052 1942 TYR 18 HD1 0.0046 -0.0035 -0.0052 1943 TYR 18 HD2 0.0040 -0.0045 -0.0054 1944 TYR 18 HE1 0.0047 -0.0040 -0.0054 1945 TYR 18 HE2 0.0041 -0.0049 -0.0056 1946 TYR 18 HH 0.0047 -0.0046 -0.0056 1947 PRO 19 N 0.0030 -0.0001 -0.0105 1948 PRO 19 CA 0.0029 0.0009 -0.0098 1949 PRO 19 C 0.0016 0.0023 -0.0106 1950 PRO 19 O 0.0010 0.0030 -0.0112 1951 PRO 19 CB 0.0036 0.0016 -0.0081 1952 PRO 19 CG 0.0036 0.0017 -0.0081 1953 PRO 19 CD 0.0035 0.0003 -0.0094 1954 PRO 19 HA 0.0032 0.0001 -0.0099 1955 PRO 19 HB3 0.0045 0.0008 -0.0074 1956 PRO 19 HB2 0.0033 0.0029 -0.0077 1957 PRO 19 HG3 0.0044 0.0016 -0.0070 1958 PRO 19 HG2 0.0028 0.0029 -0.0084 1959 PRO 19 HD2 0.0029 0.0006 -0.0100 1960 PRO 19 HD3 0.0044 -0.0008 -0.0089 1961 LEU 20 N 0.0013 0.0028 -0.0108 1962 LEU 20 CA 0.0002 0.0042 -0.0114 1963 LEU 20 C 0.0002 0.0049 -0.0108 1964 LEU 20 O 0.0004 0.0040 -0.0112 1965 LEU 20 CB -0.0007 0.0038 -0.0132 1966 LEU 20 CG -0.0019 0.0052 -0.0139 1967 LEU 20 CD1 -0.0024 0.0067 -0.0134 1968 LEU 20 CD2 -0.0028 0.0046 -0.0156 1969 LEU 20 H 0.0019 0.0021 -0.0104 1970 LEU 20 HA -0.0000 0.0052 -0.0109 1971 LEU 20 HB3 -0.0005 0.0027 -0.0136 1972 LEU 20 HB2 -0.0008 0.0035 -0.0135 1973 LEU 20 HG -0.0018 0.0056 -0.0134 1974 LEU 20 HD11 -0.0033 0.0077 -0.0139 1975 LEU 20 HD12 -0.0018 0.0071 -0.0122 1976 LEU 20 HD13 -0.0025 0.0063 -0.0139 1977 LEU 20 HD21 -0.0036 0.0056 -0.0161 1978 LEU 20 HD22 -0.0029 0.0042 -0.0162 1979 LEU 20 HD23 -0.0024 0.0036 -0.0159 1980 THR 21 N 0.0028 0.0080 -0.0189 1981 THR 21 CA 0.0056 0.0073 -0.0181 1982 THR 21 C 0.0052 0.0070 -0.0180 1983 THR 21 O 0.0042 0.0086 -0.0191 1984 THR 21 CB 0.0080 0.0093 -0.0189 1985 THR 21 OG1 0.0084 0.0095 -0.0190 1986 THR 21 CG2 0.0108 0.0086 -0.0181 1987 THR 21 H 0.0024 0.0098 -0.0201 1988 THR 21 HA 0.0061 0.0055 -0.0170 1989 THR 21 HB 0.0074 0.0111 -0.0201 1990 THR 21 HG1 0.0066 0.0100 -0.0196 1991 THR 21 HG21 0.0125 0.0100 -0.0187 1992 THR 21 HG22 0.0105 0.0084 -0.0180 1993 THR 21 HG23 0.0113 0.0068 -0.0169 1994 VAL 22 N 0.0060 0.0049 -0.0166 1995 VAL 22 CA 0.0061 0.0044 -0.0163 1996 VAL 22 C 0.0091 0.0048 -0.0161 1997 VAL 22 O 0.0110 0.0037 -0.0151 1998 VAL 22 CB 0.0048 0.0018 -0.0149 1999 VAL 22 CG1 0.0055 0.0011 -0.0144 2000 VAL 22 CG2 0.0016 0.0015 -0.0152 2001 VAL 22 H 0.0067 0.0036 -0.0157 2002 VAL 22 HA 0.0047 0.0057 -0.0173 2003 VAL 22 HB 0.0058 0.0005 -0.0139 2004 VAL 22 HG11 0.0046 -0.0007 -0.0134 2005 VAL 22 HG12 0.0078 0.0013 -0.0141 2006 VAL 22 HG13 0.0045 0.0024 -0.0153 2007 VAL 22 HG21 0.0008 -0.0004 -0.0142 2008 VAL 22 HG22 0.0006 0.0028 -0.0162 2009 VAL 22 HG23 0.0012 0.0019 -0.0155 2010 ASP 23 N 0.0059 0.0108 -0.0185 2011 ASP 23 CA 0.0109 0.0117 -0.0182 2012 ASP 23 C 0.0107 0.0097 -0.0171 2013 ASP 23 O 0.0081 0.0114 -0.0185 2014 ASP 23 CB 0.0124 0.0168 -0.0210 2015 ASP 23 CG 0.0177 0.0179 -0.0207 2016 ASP 23 OD1 0.0213 0.0195 -0.0211 2017 ASP 23 OD2 0.0183 0.0170 -0.0201 2018 ASP 23 H 0.0029 0.0125 -0.0200 2019 ASP 23 HA 0.0138 0.0102 -0.0168 2020 ASP 23 HB3 0.0095 0.0184 -0.0224 2021 ASP 23 HB2 0.0124 0.0182 -0.0218 2022 PHE 24 N 0.0134 0.0062 -0.0145 2023 PHE 24 CA 0.0132 0.0038 -0.0131 2024 PHE 24 C 0.0156 0.0066 -0.0144 2025 PHE 24 O 0.0140 0.0060 -0.0143 2026 PHE 24 CB 0.0159 -0.0006 -0.0101 2027 PHE 24 CG 0.0132 -0.0039 -0.0086 2028 PHE 24 CD1 0.0081 -0.0054 -0.0085 2029 PHE 24 CD2 0.0157 -0.0055 -0.0072 2030 PHE 24 CE1 0.0055 -0.0085 -0.0071 2031 PHE 24 CE2 0.0131 -0.0085 -0.0059 2032 PHE 24 CZ 0.0081 -0.0100 -0.0058 2033 PHE 24 H 0.0156 0.0051 -0.0135 2034 PHE 24 HA 0.0092 0.0029 -0.0132 2035 PHE 24 HB3 0.0163 -0.0021 -0.0091 2036 PHE 24 HB2 0.0198 0.0002 -0.0099 2037 PHE 24 HD1 0.0061 -0.0043 -0.0095 2038 PHE 24 HD2 0.0196 -0.0043 -0.0073 2039 PHE 24 HE1 0.0016 -0.0096 -0.0071 2040 PHE 24 HE2 0.0151 -0.0097 -0.0048 2041 PHE 24 HZ 0.0061 -0.0124 -0.0047 2042 GLU 25 N 0.0192 0.0145 -0.0185 2043 GLU 25 CA 0.0224 0.0180 -0.0202 2044 GLU 25 C 0.0183 0.0218 -0.0238 2045 GLU 25 O 0.0183 0.0232 -0.0248 2046 GLU 25 CB 0.0281 0.0208 -0.0208 2047 GLU 25 CG 0.0310 0.0180 -0.0181 2048 GLU 25 CD 0.0366 0.0212 -0.0190 2049 GLU 25 OE1 0.0410 0.0223 -0.0188 2050 GLU 25 OE2 0.0364 0.0225 -0.0200 2051 GLU 25 H 0.0204 0.0146 -0.0183 2052 GLU 25 HA 0.0236 0.0159 -0.0184 2053 GLU 25 HB3 0.0314 0.0219 -0.0208 2054 GLU 25 HB2 0.0272 0.0245 -0.0236 2055 GLU 25 HG3 0.0278 0.0169 -0.0181 2056 GLU 25 HG2 0.0324 0.0145 -0.0154 2057 ALA 26 N 0.0148 0.0235 -0.0258 2058 ALA 26 CA 0.0106 0.0271 -0.0293 2059 ALA 26 C 0.0055 0.0247 -0.0289 2060 ALA 26 O 0.0018 0.0273 -0.0316 2061 ALA 26 CB 0.0081 0.0291 -0.0314 2062 ALA 26 H 0.0149 0.0222 -0.0249 2063 ALA 26 HA 0.0131 0.0302 -0.0310 2064 ALA 26 HB1 0.0050 0.0318 -0.0340 2065 ALA 26 HB2 0.0118 0.0310 -0.0318 2066 ALA 26 HB3 0.0057 0.0260 -0.0298 2067 PHE 27 N 0.0044 0.0147 -0.0183 2068 PHE 27 CA -0.0005 0.0119 -0.0186 2069 PHE 27 C -0.0008 0.0105 -0.0186 2070 PHE 27 O -0.0050 0.0092 -0.0189 2071 PHE 27 CB -0.0010 0.0070 -0.0185 2072 PHE 27 CG -0.0013 0.0081 -0.0186 2073 PHE 27 CD1 -0.0012 0.0132 -0.0187 2074 PHE 27 CD2 -0.0017 0.0039 -0.0185 2075 PHE 27 CE1 -0.0015 0.0142 -0.0188 2076 PHE 27 CE2 -0.0020 0.0049 -0.0186 2077 PHE 27 CZ -0.0019 0.0100 -0.0187 2078 PHE 27 H 0.0077 0.0126 -0.0180 2079 PHE 27 HA -0.0038 0.0145 -0.0190 2080 PHE 27 HB3 -0.0044 0.0047 -0.0187 2081 PHE 27 HB2 0.0024 0.0044 -0.0182 2082 PHE 27 HD1 -0.0009 0.0165 -0.0188 2083 PHE 27 HD2 -0.0018 -0.0001 -0.0184 2084 PHE 27 HE1 -0.0014 0.0182 -0.0189 2085 PHE 27 HE2 -0.0024 0.0016 -0.0185 2086 PHE 27 HZ -0.0021 0.0108 -0.0187 2087 GLY 28 N 0.0038 0.0106 -0.0183 2088 GLY 28 CA 0.0041 0.0096 -0.0182 2089 GLY 28 C 0.0057 0.0039 -0.0179 2090 GLY 28 O 0.0060 0.0022 -0.0179 2091 GLY 28 H 0.0071 0.0116 -0.0180 2092 GLY 28 HA3 0.0004 0.0104 -0.0185 2093 GLY 28 HA2 0.0070 0.0122 -0.0181 2094 TRP 29 N 0.0027 -0.0049 -0.0107 2095 TRP 29 CA 0.0031 -0.0071 -0.0109 2096 TRP 29 C 0.0052 -0.0077 -0.0114 2097 TRP 29 O 0.0067 -0.0077 -0.0117 2098 TRP 29 CB 0.0031 -0.0076 -0.0110 2099 TRP 29 CG 0.0012 -0.0070 -0.0106 2100 TRP 29 CD1 -0.0005 -0.0062 -0.0102 2101 TRP 29 CD2 0.0009 -0.0072 -0.0105 2102 TRP 29 NE1 -0.0020 -0.0058 -0.0099 2103 TRP 29 CE2 -0.0011 -0.0064 -0.0101 2104 TRP 29 CE3 0.0021 -0.0079 -0.0108 2105 TRP 29 CZ2 -0.0020 -0.0064 -0.0099 2106 TRP 29 CZ3 0.0012 -0.0079 -0.0107 2107 TRP 29 CH2 -0.0007 -0.0071 -0.0102 2108 TRP 29 H 0.0030 -0.0039 -0.0106 2109 TRP 29 HA 0.0019 -0.0080 -0.0108 2110 TRP 29 HB3 0.0034 -0.0093 -0.0112 2111 TRP 29 HB2 0.0045 -0.0068 -0.0112 2112 TRP 29 HD1 -0.0007 -0.0059 -0.0101 2113 TRP 29 HE1 -0.0034 -0.0052 -0.0096 2114 TRP 29 HE3 0.0036 -0.0085 -0.0112 2115 TRP 29 HZ2 -0.0035 -0.0058 -0.0096 2116 TRP 29 HZ3 0.0021 -0.0085 -0.0109 2117 TRP 29 HH2 -0.0013 -0.0071 -0.0101 2118 ASP 30 N 0.0051 -0.0083 -0.0114 2119 ASP 30 CA 0.0071 -0.0088 -0.0118 2120 ASP 30 C 0.0077 -0.0110 -0.0122 2121 ASP 30 O 0.0095 -0.0116 -0.0125 2122 ASP 30 CB 0.0068 -0.0087 -0.0118 2123 ASP 30 CG 0.0053 -0.0103 -0.0116 2124 ASP 30 OD1 0.0058 -0.0114 -0.0118 2125 ASP 30 OD2 0.0035 -0.0105 -0.0113 2126 ASP 30 H 0.0038 -0.0084 -0.0112 2127 ASP 30 HA 0.0083 -0.0077 -0.0119 2128 ASP 30 HB3 0.0064 -0.0072 -0.0115 2129 ASP 30 HB2 0.0083 -0.0090 -0.0121 2130 TRP 31 N -0.0018 -0.0121 0.0011 2131 TRP 31 CA -0.0013 -0.0132 -0.0014 2132 TRP 31 C 0.0017 -0.0138 -0.0015 2133 TRP 31 O 0.0024 -0.0147 -0.0033 2134 TRP 31 CB -0.0022 -0.0138 -0.0033 2135 TRP 31 CG -0.0012 -0.0138 -0.0028 2136 TRP 31 CD1 -0.0023 -0.0130 -0.0013 2137 TRP 31 CD2 0.0012 -0.0146 -0.0036 2138 TRP 31 NE1 -0.0008 -0.0132 -0.0012 2139 TRP 31 CE2 0.0013 -0.0142 -0.0026 2140 TRP 31 CE3 0.0031 -0.0155 -0.0051 2141 TRP 31 CZ2 0.0034 -0.0148 -0.0031 2142 TRP 31 CZ3 0.0051 -0.0161 -0.0056 2143 TRP 31 CH2 0.0053 -0.0157 -0.0046 2144 TRP 31 H -0.0021 -0.0119 0.0014 2145 TRP 31 HA -0.0024 -0.0131 -0.0017 2146 TRP 31 HB3 -0.0043 -0.0135 -0.0035 2147 TRP 31 HB2 -0.0015 -0.0147 -0.0051 2148 TRP 31 HD1 -0.0041 -0.0123 -0.0005 2149 TRP 31 HE1 -0.0014 -0.0127 -0.0003 2150 TRP 31 HE3 0.0030 -0.0158 -0.0059 2151 TRP 31 HZ2 0.0034 -0.0145 -0.0023 2152 TRP 31 HZ3 0.0067 -0.0169 -0.0067 2153 TRP 31 HH2 0.0069 -0.0162 -0.0050 2154 ILE 32 N 0.0033 -0.0134 0.0004 2155 ILE 32 CA 0.0060 -0.0138 0.0006 2156 ILE 32 C 0.0061 -0.0132 0.0022 2157 ILE 32 O 0.0053 -0.0122 0.0043 2158 ILE 32 CB 0.0079 -0.0137 0.0017 2159 ILE 32 CG1 0.0083 -0.0146 -0.0002 2160 ILE 32 CG2 0.0106 -0.0139 0.0025 2161 ILE 32 CD1 0.0093 -0.0143 0.0009 2162 ILE 32 H 0.0026 -0.0127 0.0017 2163 ILE 32 HA 0.0066 -0.0146 -0.0012 2164 ILE 32 HB 0.0071 -0.0129 0.0034 2165 ILE 32 HG13 0.0064 -0.0146 -0.0013 2166 ILE 32 HG12 0.0097 -0.0153 -0.0015 2167 ILE 32 HG21 0.0119 -0.0138 0.0033 2168 ILE 32 HG22 0.0103 -0.0133 0.0039 2169 ILE 32 HG23 0.0114 -0.0147 0.0009 2170 ILE 32 HD11 0.0095 -0.0149 -0.0006 2171 ILE 32 HD12 0.0079 -0.0135 0.0022 2172 ILE 32 HD13 0.0112 -0.0142 0.0019 2173 ILE 33 N -0.0015 -0.0101 0.0074 2174 ILE 33 CA -0.0016 -0.0093 0.0099 2175 ILE 33 C 0.0035 -0.0092 0.0129 2176 ILE 33 O 0.0035 -0.0078 0.0173 2177 ILE 33 CB -0.0024 -0.0104 0.0061 2178 ILE 33 CG1 -0.0076 -0.0105 0.0032 2179 ILE 33 CG2 -0.0022 -0.0096 0.0087 2180 ILE 33 CD1 -0.0082 -0.0119 -0.0017 2181 ILE 33 H -0.0003 -0.0114 0.0039 2182 ILE 33 HA -0.0047 -0.0080 0.0124 2183 ILE 33 HB 0.0007 -0.0117 0.0035 2184 ILE 33 HG13 -0.0082 -0.0106 0.0024 2185 ILE 33 HG12 -0.0107 -0.0092 0.0055 2186 ILE 33 HG21 -0.0028 -0.0104 0.0060 2187 ILE 33 HG22 0.0016 -0.0096 0.0106 2188 ILE 33 HG23 -0.0052 -0.0082 0.0114 2189 ILE 33 HD11 -0.0120 -0.0119 -0.0035 2190 ILE 33 HD12 -0.0052 -0.0132 -0.0042 2191 ILE 33 HD13 -0.0078 -0.0117 -0.0009 2192 ALA 34 N 0.0078 -0.0106 0.0106 2193 ALA 34 CA 0.0129 -0.0107 0.0131 2194 ALA 34 C 0.0168 -0.0121 0.0107 2195 ALA 34 O 0.0164 -0.0134 0.0062 2196 ALA 34 CB 0.0147 -0.0110 0.0129 2197 ALA 34 H 0.0076 -0.0117 0.0071 2198 ALA 34 HA 0.0127 -0.0094 0.0170 2199 ALA 34 HB1 0.0185 -0.0111 0.0148 2200 ALA 34 HB2 0.0119 -0.0100 0.0148 2201 ALA 34 HB3 0.0149 -0.0123 0.0090 2202 PRO 35 N 0.0198 -0.0091 0.0025 2203 PRO 35 CA 0.0209 -0.0056 0.0019 2204 PRO 35 C 0.0190 -0.0018 -0.0010 2205 PRO 35 O 0.0163 -0.0023 -0.0028 2206 PRO 35 CB 0.0196 -0.0077 0.0018 2207 PRO 35 CG 0.0163 -0.0112 0.0006 2208 PRO 35 CD 0.0171 -0.0128 0.0019 2209 PRO 35 HA 0.0239 -0.0044 0.0037 2210 PRO 35 HB3 0.0218 -0.0092 0.0040 2211 PRO 35 HB2 0.0188 -0.0054 0.0002 2212 PRO 35 HG3 0.0160 -0.0138 0.0014 2213 PRO 35 HG2 0.0139 -0.0098 -0.0017 2214 PRO 35 HD2 0.0146 -0.0134 0.0003 2215 PRO 35 HD3 0.0185 -0.0155 0.0040 2216 LYS 36 N 0.0205 0.0019 -0.0014 2217 LYS 36 CA 0.0189 0.0056 -0.0041 2218 LYS 36 C 0.0155 0.0052 -0.0064 2219 LYS 36 O 0.0130 0.0070 -0.0090 2220 LYS 36 CB 0.0217 0.0098 -0.0036 2221 LYS 36 CG 0.0251 0.0105 -0.0014 2222 LYS 36 CD 0.0241 0.0115 -0.0025 2223 LYS 36 CE 0.0275 0.0121 -0.0002 2224 LYS 36 NZ 0.0264 0.0116 -0.0008 2225 LYS 36 H 0.0228 0.0022 0.0002 2226 LYS 36 HA 0.0179 0.0057 -0.0048 2227 LYS 36 HB3 0.0204 0.0125 -0.0057 2228 LYS 36 HB2 0.0226 0.0098 -0.0030 2229 LYS 36 HG3 0.0272 0.0132 -0.0009 2230 LYS 36 HG2 0.0263 0.0077 0.0007 2231 LYS 36 HD3 0.0220 0.0088 -0.0030 2232 LYS 36 HD2 0.0229 0.0143 -0.0045 2233 LYS 36 HE3 0.0291 0.0154 -0.0002 2234 LYS 36 HE2 0.0292 0.0099 0.0019 2235 LYS 36 HZ1 0.0249 0.0086 -0.0008 2236 LYS 36 HZ2 0.0287 0.0121 0.0007 2237 LYS 36 HZ3 0.0249 0.0138 -0.0028 2238 ARG 37 N 0.0254 0.0054 -0.0096 2239 ARG 37 CA 0.0212 0.0060 -0.0114 2240 ARG 37 C 0.0195 0.0030 -0.0095 2241 ARG 37 O 0.0220 0.0013 -0.0073 2242 ARG 37 CB 0.0218 0.0096 -0.0142 2243 ARG 37 CG 0.0228 0.0129 -0.0167 2244 ARG 37 CD 0.0224 0.0163 -0.0195 2245 ARG 37 NE 0.0256 0.0169 -0.0191 2246 ARG 37 CZ 0.0298 0.0188 -0.0193 2247 ARG 37 NH1 0.0312 0.0201 -0.0199 2248 ARG 37 NH2 0.0325 0.0193 -0.0188 2249 ARG 37 H 0.0272 0.0040 -0.0079 2250 ARG 37 HA 0.0187 0.0060 -0.0122 2251 ARG 37 HB3 0.0189 0.0097 -0.0152 2252 ARG 37 HB2 0.0245 0.0097 -0.0135 2253 ARG 37 HG3 0.0262 0.0133 -0.0158 2254 ARG 37 HG2 0.0205 0.0126 -0.0172 2255 ARG 37 HD3 0.0229 0.0186 -0.0213 2256 ARG 37 HD2 0.0190 0.0159 -0.0204 2257 ARG 37 HE 0.0245 0.0159 -0.0186 2258 ARG 37 HH12 0.0344 0.0215 -0.0200 2259 ARG 37 HH11 0.0291 0.0197 -0.0202 2260 ARG 37 HH22 0.0356 0.0207 -0.0189 2261 ARG 37 HH21 0.0314 0.0182 -0.0183 2262 TYR 38 N 0.0151 0.0026 -0.0105 2263 TYR 38 CA 0.0131 -0.0000 -0.0090 2264 TYR 38 C 0.0085 0.0006 -0.0110 2265 TYR 38 O 0.0064 0.0023 -0.0131 2266 TYR 38 CB 0.0128 -0.0039 -0.0059 2267 TYR 38 CG 0.0087 -0.0053 -0.0060 2268 TYR 38 CD1 0.0085 -0.0044 -0.0069 2269 TYR 38 CD2 0.0051 -0.0077 -0.0052 2270 TYR 38 CE1 0.0048 -0.0057 -0.0070 2271 TYR 38 CE2 0.0014 -0.0091 -0.0053 2272 TYR 38 CZ 0.0013 -0.0081 -0.0062 2273 TYR 38 OH -0.0024 -0.0094 -0.0062 2274 TYR 38 H 0.0132 0.0041 -0.0124 2275 TYR 38 HA 0.0151 0.0004 -0.0087 2276 TYR 38 HB3 0.0158 -0.0041 -0.0048 2277 TYR 38 HB2 0.0129 -0.0057 -0.0044 2278 TYR 38 HD1 0.0113 -0.0025 -0.0075 2279 TYR 38 HD2 0.0052 -0.0086 -0.0045 2280 TYR 38 HE1 0.0047 -0.0049 -0.0077 2281 TYR 38 HE2 -0.0014 -0.0109 -0.0046 2282 TYR 38 HH -0.0045 -0.0111 -0.0055 2283 LYS 39 N 0.0074 -0.0019 -0.0126 2284 LYS 39 CA 0.0047 -0.0007 -0.0129 2285 LYS 39 C 0.0027 -0.0018 -0.0108 2286 LYS 39 O 0.0024 -0.0030 -0.0095 2287 LYS 39 CB 0.0044 0.0005 -0.0139 2288 LYS 39 CG 0.0060 0.0020 -0.0161 2289 LYS 39 CD 0.0056 0.0031 -0.0171 2290 LYS 39 CE 0.0080 0.0024 -0.0174 2291 LYS 39 NZ 0.0085 0.0003 -0.0154 2292 LYS 39 H 0.0083 -0.0025 -0.0124 2293 LYS 39 HA 0.0044 0.0004 -0.0139 2294 LYS 39 HB3 0.0023 0.0013 -0.0139 2295 LYS 39 HB2 0.0048 -0.0006 -0.0130 2296 LYS 39 HG3 0.0081 0.0012 -0.0161 2297 LYS 39 HG2 0.0055 0.0030 -0.0170 2298 LYS 39 HD3 0.0051 0.0046 -0.0185 2299 LYS 39 HD2 0.0039 0.0028 -0.0161 2300 LYS 39 HE3 0.0097 0.0026 -0.0182 2301 LYS 39 HE2 0.0077 0.0034 -0.0183 2302 LYS 39 HZ1 0.0083 -0.0005 -0.0144 2303 LYS 39 HZ2 0.0071 0.0003 -0.0147 2304 LYS 39 HZ3 0.0103 -0.0001 -0.0156 2305 ALA 40 N 0.0014 -0.0016 -0.0105 2306 ALA 40 CA -0.0006 -0.0027 -0.0086 2307 ALA 40 C -0.0034 -0.0015 -0.0087 2308 ALA 40 O -0.0050 -0.0024 -0.0072 2309 ALA 40 CB -0.0006 -0.0032 -0.0081 2310 ALA 40 H 0.0017 -0.0007 -0.0116 2311 ALA 40 HA -0.0001 -0.0041 -0.0074 2312 ALA 40 HB1 -0.0021 -0.0040 -0.0067 2313 ALA 40 HB2 0.0014 -0.0042 -0.0079 2314 ALA 40 HB3 -0.0010 -0.0019 -0.0093 2315 ASN 41 N -0.0006 0.0004 -0.0078 2316 ASN 41 CA -0.0008 -0.0000 -0.0081 2317 ASN 41 C -0.0012 -0.0001 -0.0087 2318 ASN 41 O -0.0012 0.0002 -0.0089 2319 ASN 41 CB -0.0008 -0.0007 -0.0078 2320 ASN 41 CG -0.0004 -0.0007 -0.0071 2321 ASN 41 OD1 -0.0003 -0.0004 -0.0069 2322 ASN 41 ND2 -0.0003 -0.0009 -0.0067 2323 ASN 41 H -0.0005 0.0008 -0.0076 2324 ASN 41 HA -0.0008 0.0002 -0.0081 2325 ASN 41 HB3 -0.0009 -0.0010 -0.0080 2326 ASN 41 HB2 -0.0008 -0.0010 -0.0078 2327 ASN 41 HD22 -0.0000 -0.0009 -0.0063 2328 ASN 41 HD21 -0.0004 -0.0011 -0.0069 2329 TYR 42 N -0.0014 -0.0004 -0.0091 2330 TYR 42 CA -0.0017 -0.0005 -0.0097 2331 TYR 42 C -0.0019 -0.0011 -0.0099 2332 TYR 42 O -0.0018 -0.0013 -0.0097 2333 TYR 42 CB -0.0018 0.0001 -0.0101 2334 TYR 42 CG -0.0019 0.0003 -0.0103 2335 TYR 42 CD1 -0.0016 0.0006 -0.0098 2336 TYR 42 CD2 -0.0022 0.0002 -0.0108 2337 TYR 42 CE1 -0.0017 0.0009 -0.0100 2338 TYR 42 CE2 -0.0022 0.0004 -0.0109 2339 TYR 42 CZ -0.0019 0.0007 -0.0105 2340 TYR 42 OH -0.0020 0.0010 -0.0106 2341 TYR 42 H -0.0013 -0.0006 -0.0089 2342 TYR 42 HA -0.0017 -0.0007 -0.0097 2343 TYR 42 HB3 -0.0017 0.0005 -0.0099 2344 TYR 42 HB2 -0.0021 0.0000 -0.0105 2345 TYR 42 HD1 -0.0014 0.0007 -0.0094 2346 TYR 42 HD2 -0.0024 -0.0000 -0.0111 2347 TYR 42 HE1 -0.0015 0.0011 -0.0096 2348 TYR 42 HE2 -0.0024 0.0003 -0.0114 2349 TYR 42 HH -0.0022 0.0010 -0.0111 2350 CYS 43 N 0.0026 -0.0022 -0.0049 2351 CYS 43 CA 0.0025 -0.0022 -0.0050 2352 CYS 43 C 0.0025 -0.0021 -0.0050 2353 CYS 43 O 0.0024 -0.0021 -0.0050 2354 CYS 43 CB 0.0025 -0.0023 -0.0050 2355 CYS 43 SG 0.0025 -0.0024 -0.0049 2356 CYS 43 H 0.0025 -0.0022 -0.0049 2357 CYS 43 HA 0.0026 -0.0022 -0.0049 2358 CYS 43 HB3 0.0024 -0.0023 -0.0050 2359 CYS 43 HB2 0.0024 -0.0023 -0.0050 2360 SER 44 N 0.0024 -0.0021 -0.0050 2361 SER 44 CA 0.0024 -0.0021 -0.0050 2362 SER 44 C 0.0024 -0.0021 -0.0050 2363 SER 44 O 0.0024 -0.0021 -0.0050 2364 SER 44 CB 0.0024 -0.0020 -0.0050 2365 SER 44 OG 0.0024 -0.0019 -0.0051 2366 SER 44 H 0.0025 -0.0021 -0.0050 2367 SER 44 HA 0.0023 -0.0021 -0.0050 2368 SER 44 HB3 0.0025 -0.0020 -0.0050 2369 SER 44 HB2 0.0024 -0.0020 -0.0050 2370 SER 44 HG 0.0023 -0.0019 -0.0051 2371 GLY 45 N 0.0061 0.0024 0.0005 2372 GLY 45 CA 0.0057 0.0040 0.0007 2373 GLY 45 C 0.0040 0.0036 0.0017 2374 GLY 45 O 0.0030 0.0019 0.0022 2375 GLY 45 H 0.0050 0.0017 0.0011 2376 GLY 45 HA3 0.0070 0.0042 0.0001 2377 GLY 45 HA2 0.0056 0.0056 0.0008 2378 GLN 46 N 0.0034 0.0053 0.0020 2379 GLN 46 CA 0.0017 0.0052 0.0029 2380 GLN 46 C 0.0021 0.0039 0.0027 2381 GLN 46 O 0.0037 0.0039 0.0018 2382 GLN 46 CB 0.0011 0.0075 0.0033 2383 GLN 46 CG 0.0007 0.0090 0.0035 2384 GLN 46 CD -0.0008 0.0081 0.0043 2385 GLN 46 OE1 -0.0002 0.0077 0.0040 2386 GLN 46 NE2 -0.0024 0.0078 0.0052 2387 GLN 46 H 0.0043 0.0066 0.0015 2388 GLN 46 HA 0.0006 0.0044 0.0035 2389 GLN 46 HB3 -0.0002 0.0074 0.0040 2390 GLN 46 HB2 0.0021 0.0083 0.0027 2391 GLN 46 HG3 0.0003 0.0106 0.0037 2392 GLN 46 HG2 0.0021 0.0092 0.0028 2393 GLN 46 HE22 -0.0034 0.0072 0.0057 2394 GLN 46 HE21 -0.0028 0.0082 0.0054 2395 CYS 47 N 0.0013 0.0063 0.0030 2396 CYS 47 CA 0.0005 0.0038 0.0042 2397 CYS 47 C -0.0020 0.0027 0.0030 2398 CYS 47 O -0.0033 0.0021 0.0025 2399 CYS 47 CB 0.0013 0.0029 0.0054 2400 CYS 47 SG 0.0043 0.0035 0.0073 2401 CYS 47 H 0.0006 0.0070 0.0018 2402 CYS 47 HA 0.0013 0.0032 0.0052 2403 CYS 47 HB3 0.0004 0.0010 0.0061 2404 CYS 47 HB2 0.0008 0.0036 0.0045 2405 GLU 48 N -0.0029 0.0025 0.0026 2406 GLU 48 CA -0.0053 0.0015 0.0014 2407 GLU 48 C -0.0059 -0.0008 0.0027 2408 GLU 48 O -0.0045 -0.0013 0.0041 2409 GLU 48 CB -0.0060 0.0032 -0.0004 2410 GLU 48 CG -0.0057 0.0054 -0.0017 2411 GLU 48 CD -0.0052 0.0075 -0.0030 2412 GLU 48 OE1 -0.0054 0.0073 -0.0030 2413 GLU 48 OE2 -0.0046 0.0095 -0.0039 2414 GLU 48 H -0.0018 0.0029 0.0031 2415 GLU 48 HA -0.0062 0.0013 0.0010 2416 GLU 48 HB3 -0.0078 0.0024 -0.0011 2417 GLU 48 HB2 -0.0050 0.0037 0.0001 2418 GLU 48 HG3 -0.0043 0.0057 -0.0009 2419 GLU 48 HG2 -0.0071 0.0052 -0.0027 2420 TYR 49 N -0.0101 -0.0030 -0.0030 2421 TYR 49 CA -0.0117 -0.0071 -0.0012 2422 TYR 49 C -0.0099 -0.0085 0.0030 2423 TYR 49 O -0.0088 -0.0076 0.0037 2424 TYR 49 CB -0.0126 -0.0081 -0.0014 2425 TYR 49 CG -0.0145 -0.0068 -0.0055 2426 TYR 49 CD1 -0.0177 -0.0089 -0.0079 2427 TYR 49 CD2 -0.0131 -0.0035 -0.0069 2428 TYR 49 CE1 -0.0194 -0.0078 -0.0117 2429 TYR 49 CE2 -0.0149 -0.0024 -0.0107 2430 TYR 49 CZ -0.0181 -0.0045 -0.0130 2431 TYR 49 OH -0.0198 -0.0034 -0.0168 2432 TYR 49 H -0.0113 -0.0021 -0.0057 2433 TYR 49 HA -0.0139 -0.0085 -0.0029 2434 TYR 49 HB3 -0.0139 -0.0112 -0.0000 2435 TYR 49 HB2 -0.0104 -0.0067 0.0004 2436 TYR 49 HD1 -0.0188 -0.0115 -0.0069 2437 TYR 49 HD2 -0.0107 -0.0018 -0.0051 2438 TYR 49 HE1 -0.0219 -0.0095 -0.0135 2439 TYR 49 HE2 -0.0138 0.0002 -0.0118 2440 TYR 49 HH -0.0220 -0.0052 -0.0180 2441 MET 50 N -0.0095 -0.0105 0.0057 2442 MET 50 CA -0.0079 -0.0122 0.0097 2443 MET 50 C -0.0047 -0.0103 0.0123 2444 MET 50 O -0.0032 -0.0115 0.0159 2445 MET 50 CB -0.0099 -0.0165 0.0113 2446 MET 50 CG -0.0132 -0.0187 0.0087 2447 MET 50 SD -0.0155 -0.0238 0.0107 2448 MET 50 CE -0.0134 -0.0250 0.0149 2449 MET 50 H -0.0102 -0.0110 0.0050 2450 MET 50 HA -0.0076 -0.0118 0.0097 2451 MET 50 HB3 -0.0087 -0.0177 0.0142 2452 MET 50 HB2 -0.0100 -0.0170 0.0117 2453 MET 50 HG3 -0.0144 -0.0175 0.0058 2454 MET 50 HG2 -0.0131 -0.0183 0.0084 2455 MET 50 HE1 -0.0145 -0.0280 0.0165 2456 MET 50 HE2 -0.0110 -0.0233 0.0167 2457 MET 50 HE3 -0.0136 -0.0243 0.0140 2458 PHE 51 N -0.0017 -0.0032 0.0086 2459 PHE 51 CA -0.0003 -0.0024 0.0091 2460 PHE 51 C 0.0010 -0.0021 0.0101 2461 PHE 51 O 0.0011 -0.0018 0.0098 2462 PHE 51 CB -0.0002 -0.0010 0.0079 2463 PHE 51 CG -0.0014 -0.0011 0.0070 2464 PHE 51 CD1 -0.0018 -0.0022 0.0076 2465 PHE 51 CD2 -0.0022 -0.0003 0.0056 2466 PHE 51 CE1 -0.0029 -0.0023 0.0068 2467 PHE 51 CE2 -0.0033 -0.0005 0.0047 2468 PHE 51 CZ -0.0037 -0.0015 0.0053 2469 PHE 51 H -0.0024 -0.0027 0.0075 2470 PHE 51 HA -0.0003 -0.0031 0.0098 2471 PHE 51 HB3 0.0009 -0.0004 0.0084 2472 PHE 51 HB2 -0.0002 -0.0002 0.0073 2473 PHE 51 HD1 -0.0012 -0.0028 0.0087 2474 PHE 51 HD2 -0.0019 0.0005 0.0051 2475 PHE 51 HE1 -0.0032 -0.0031 0.0072 2476 PHE 51 HE2 -0.0039 0.0002 0.0036 2477 PHE 51 HZ -0.0046 -0.0017 0.0047 2478 MET 52 N 0.0021 -0.0023 0.0112 2479 MET 52 CA 0.0036 -0.0019 0.0121 2480 MET 52 C 0.0035 -0.0027 0.0128 2481 MET 52 O 0.0045 -0.0021 0.0131 2482 MET 52 CB 0.0044 -0.0002 0.0114 2483 MET 52 CG 0.0043 0.0007 0.0104 2484 MET 52 SD 0.0050 0.0004 0.0113 2485 MET 52 CE 0.0069 0.0014 0.0121 2486 MET 52 H 0.0020 -0.0027 0.0115 2487 MET 52 HA 0.0043 -0.0022 0.0130 2488 MET 52 HB3 0.0056 0.0001 0.0121 2489 MET 52 HB2 0.0040 0.0000 0.0108 2490 MET 52 HG3 0.0048 0.0019 0.0098 2491 MET 52 HG2 0.0031 0.0005 0.0096 2492 MET 52 HE1 0.0075 0.0014 0.0127 2493 MET 52 HE2 0.0072 0.0026 0.0113 2494 MET 52 HE3 0.0073 0.0010 0.0128 2495 GLN 53 N 0.0005 -0.0036 0.0169 2496 GLN 53 CA 0.0002 -0.0037 0.0158 2497 GLN 53 C 0.0007 -0.0045 0.0166 2498 GLN 53 O 0.0012 -0.0058 0.0174 2499 GLN 53 CB 0.0000 -0.0046 0.0140 2500 GLN 53 CG -0.0005 -0.0035 0.0130 2501 GLN 53 CD -0.0007 -0.0044 0.0112 2502 GLN 53 OE1 -0.0006 -0.0055 0.0106 2503 GLN 53 NE2 -0.0010 -0.0040 0.0105 2504 GLN 53 H 0.0008 -0.0047 0.0170 2505 GLN 53 HA -0.0002 -0.0023 0.0156 2506 GLN 53 HB3 -0.0001 -0.0048 0.0133 2507 GLN 53 HB2 0.0004 -0.0058 0.0142 2508 GLN 53 HG3 -0.0004 -0.0032 0.0137 2509 GLN 53 HG2 -0.0009 -0.0023 0.0127 2510 GLN 53 HE22 -0.0012 -0.0045 0.0093 2511 GLN 53 HE21 -0.0011 -0.0030 0.0111 2512 LYS 54 N 0.0004 -0.0038 0.0163 2513 LYS 54 CA 0.0007 -0.0043 0.0171 2514 LYS 54 C 0.0007 -0.0053 0.0157 2515 LYS 54 O 0.0011 -0.0067 0.0161 2516 LYS 54 CB 0.0005 -0.0028 0.0179 2517 LYS 54 CG 0.0007 -0.0030 0.0183 2518 LYS 54 CD 0.0005 -0.0013 0.0190 2519 LYS 54 CE 0.0008 -0.0016 0.0199 2520 LYS 54 NZ 0.0004 0.0001 0.0201 2521 LYS 54 H -0.0000 -0.0028 0.0156 2522 LYS 54 HA 0.0012 -0.0052 0.0181 2523 LYS 54 HB3 0.0001 -0.0017 0.0170 2524 LYS 54 HB2 0.0007 -0.0023 0.0190 2525 LYS 54 HG3 0.0012 -0.0040 0.0193 2526 LYS 54 HG2 0.0005 -0.0035 0.0172 2527 LYS 54 HD3 -0.0000 -0.0005 0.0180 2528 LYS 54 HD2 0.0006 -0.0007 0.0200 2529 LYS 54 HE3 0.0012 -0.0022 0.0211 2530 LYS 54 HE2 0.0008 -0.0025 0.0190 2531 LYS 54 HZ1 0.0003 0.0010 0.0205 2532 LYS 54 HZ2 0.0000 0.0004 0.0190 2533 LYS 54 HZ3 0.0007 -0.0001 0.0210 2534 TYR 55 N 0.0048 -0.0011 0.0121 2535 TYR 55 CA 0.0048 -0.0015 0.0108 2536 TYR 55 C 0.0051 -0.0021 0.0100 2537 TYR 55 O 0.0049 -0.0017 0.0101 2538 TYR 55 CB 0.0039 -0.0007 0.0100 2539 TYR 55 CG 0.0037 -0.0003 0.0106 2540 TYR 55 CD1 0.0043 -0.0009 0.0108 2541 TYR 55 CD2 0.0029 0.0008 0.0108 2542 TYR 55 CE1 0.0041 -0.0005 0.0113 2543 TYR 55 CE2 0.0026 0.0012 0.0113 2544 TYR 55 CZ 0.0033 0.0005 0.0115 2545 TYR 55 OH 0.0030 0.0009 0.0120 2546 TYR 55 H 0.0043 -0.0005 0.0123 2547 TYR 55 HA 0.0053 -0.0021 0.0108 2548 TYR 55 HB3 0.0039 -0.0010 0.0090 2549 TYR 55 HB2 0.0034 -0.0001 0.0101 2550 TYR 55 HD1 0.0050 -0.0017 0.0107 2551 TYR 55 HD2 0.0024 0.0013 0.0106 2552 TYR 55 HE1 0.0046 -0.0011 0.0115 2553 TYR 55 HE2 0.0020 0.0020 0.0114 2554 TYR 55 HH 0.0035 0.0004 0.0119 2555 PRO 56 N 0.0057 -0.0030 0.0092 2556 PRO 56 CA 0.0061 -0.0036 0.0085 2557 PRO 56 C 0.0054 -0.0031 0.0074 2558 PRO 56 O 0.0055 -0.0034 0.0070 2559 PRO 56 CB 0.0067 -0.0046 0.0078 2560 PRO 56 CG 0.0064 -0.0042 0.0078 2561 PRO 56 CD 0.0060 -0.0034 0.0090 2562 PRO 56 HA 0.0064 -0.0039 0.0091 2563 PRO 56 HB3 0.0074 -0.0052 0.0085 2564 PRO 56 HB2 0.0067 -0.0048 0.0068 2565 PRO 56 HG3 0.0070 -0.0049 0.0079 2566 PRO 56 HG2 0.0059 -0.0038 0.0070 2567 PRO 56 HD2 0.0055 -0.0028 0.0088 2568 PRO 56 HD3 0.0066 -0.0038 0.0099 2569 HIS 57 N 0.0043 -0.0002 0.0046 2570 HIS 57 CA 0.0038 0.0004 0.0035 2571 HIS 57 C 0.0036 0.0009 0.0034 2572 HIS 57 O 0.0033 0.0009 0.0024 2573 HIS 57 CB 0.0034 0.0014 0.0035 2574 HIS 57 CG 0.0029 0.0020 0.0024 2575 HIS 57 ND1 0.0025 0.0029 0.0023 2576 HIS 57 CD2 0.0027 0.0018 0.0013 2577 HIS 57 CE1 0.0021 0.0033 0.0012 2578 HIS 57 NE2 0.0022 0.0026 0.0006 2579 HIS 57 H 0.0043 0.0001 0.0052 2580 HIS 57 HA 0.0038 -0.0002 0.0027 2581 HIS 57 HB3 0.0034 0.0020 0.0042 2582 HIS 57 HB2 0.0036 0.0010 0.0035 2583 HIS 57 HD2 0.0029 0.0011 0.0012 2584 HIS 57 HE1 0.0018 0.0040 0.0010 2585 HIS 57 HE2 0.0020 0.0027 -0.0002 2586 THR 58 N 0.0036 0.0014 0.0043 2587 THR 58 CA 0.0034 0.0019 0.0044 2588 THR 58 C 0.0036 0.0011 0.0039 2589 THR 58 O 0.0033 0.0013 0.0031 2590 THR 58 CB 0.0036 0.0023 0.0056 2591 THR 58 OG1 0.0034 0.0031 0.0061 2592 THR 58 CG2 0.0033 0.0029 0.0057 2593 THR 58 H 0.0038 0.0014 0.0051 2594 THR 58 HA 0.0030 0.0026 0.0038 2595 THR 58 HB 0.0040 0.0016 0.0062 2596 THR 58 HG1 0.0030 0.0039 0.0060 2597 THR 58 HG21 0.0034 0.0032 0.0066 2598 THR 58 HG22 0.0035 0.0023 0.0053 2599 THR 58 HG23 0.0029 0.0036 0.0051 2600 HIS 59 N 0.0006 0.0017 0.0020 2601 HIS 59 CA 0.0010 0.0004 0.0014 2602 HIS 59 C 0.0011 0.0002 -0.0003 2603 HIS 59 O 0.0013 -0.0003 -0.0012 2604 HIS 59 CB 0.0014 -0.0009 0.0023 2605 HIS 59 CG 0.0018 -0.0024 0.0017 2606 HIS 59 ND1 0.0019 -0.0027 0.0018 2607 HIS 59 CD2 0.0022 -0.0035 0.0011 2608 HIS 59 CE1 0.0023 -0.0040 0.0012 2609 HIS 59 NE2 0.0025 -0.0046 0.0008 2610 HIS 59 H 0.0006 0.0016 0.0029 2611 HIS 59 HA 0.0010 0.0006 0.0015 2612 HIS 59 HB3 0.0014 -0.0010 0.0024 2613 HIS 59 HB2 0.0013 -0.0008 0.0035 2614 HIS 59 HD2 0.0022 -0.0035 0.0010 2615 HIS 59 HE1 0.0024 -0.0045 0.0011 2616 HIS 59 HE2 0.0028 -0.0055 0.0003 2617 LEU 60 N 0.0010 0.0005 -0.0007 2618 LEU 60 CA 0.0012 0.0003 -0.0023 2619 LEU 60 C 0.0009 0.0013 -0.0034 2620 LEU 60 O 0.0010 0.0009 -0.0047 2621 LEU 60 CB 0.0011 0.0004 -0.0024 2622 LEU 60 CG 0.0015 -0.0008 -0.0015 2623 LEU 60 CD1 0.0013 -0.0004 -0.0013 2624 LEU 60 CD2 0.0019 -0.0023 -0.0024 2625 LEU 60 H 0.0009 0.0009 0.0000 2626 LEU 60 HA 0.0015 -0.0009 -0.0026 2627 LEU 60 HB3 0.0012 0.0004 -0.0036 2628 LEU 60 HB2 0.0008 0.0015 -0.0020 2629 LEU 60 HG 0.0014 -0.0009 -0.0004 2630 LEU 60 HD11 0.0016 -0.0013 -0.0007 2631 LEU 60 HD12 0.0010 0.0006 -0.0007 2632 LEU 60 HD13 0.0013 -0.0002 -0.0024 2633 LEU 60 HD21 0.0021 -0.0031 -0.0017 2634 LEU 60 HD22 0.0019 -0.0022 -0.0035 2635 LEU 60 HD23 0.0020 -0.0026 -0.0024 2636 VAL 61 N -0.0015 0.0027 -0.0019 2637 VAL 61 CA -0.0015 0.0036 -0.0028 2638 VAL 61 C -0.0015 0.0033 -0.0033 2639 VAL 61 O -0.0016 0.0034 -0.0044 2640 VAL 61 CB -0.0016 0.0050 -0.0022 2641 VAL 61 CG1 -0.0016 0.0059 -0.0031 2642 VAL 61 CG2 -0.0016 0.0054 -0.0020 2643 VAL 61 H -0.0014 0.0029 -0.0010 2644 VAL 61 HA -0.0016 0.0036 -0.0036 2645 VAL 61 HB -0.0015 0.0049 -0.0013 2646 VAL 61 HG11 -0.0017 0.0068 -0.0026 2647 VAL 61 HG12 -0.0016 0.0056 -0.0032 2648 VAL 61 HG13 -0.0017 0.0059 -0.0040 2649 VAL 61 HG21 -0.0016 0.0063 -0.0016 2650 VAL 61 HG22 -0.0016 0.0054 -0.0029 2651 VAL 61 HG23 -0.0015 0.0047 -0.0014 2652 GLN 62 N -0.0015 0.0029 -0.0024 2653 GLN 62 CA -0.0015 0.0026 -0.0028 2654 GLN 62 C -0.0015 0.0015 -0.0038 2655 GLN 62 O -0.0015 0.0015 -0.0047 2656 GLN 62 CB -0.0014 0.0021 -0.0017 2657 GLN 62 CG -0.0014 0.0032 -0.0009 2658 GLN 62 CD -0.0014 0.0028 0.0004 2659 GLN 62 OE1 -0.0013 0.0022 0.0012 2660 GLN 62 NE2 -0.0014 0.0030 0.0005 2661 GLN 62 H -0.0015 0.0028 -0.0015 2662 GLN 62 HA -0.0015 0.0034 -0.0032 2663 GLN 62 HB3 -0.0014 0.0016 -0.0020 2664 GLN 62 HB2 -0.0014 0.0015 -0.0011 2665 GLN 62 HG3 -0.0015 0.0039 -0.0006 2666 GLN 62 HG2 -0.0015 0.0038 -0.0014 2667 GLN 62 HE22 -0.0014 0.0027 0.0013 2668 GLN 62 HE21 -0.0014 0.0034 -0.0002 2669 GLN 63 N -0.0034 0.0035 -0.0037 2670 GLN 63 CA -0.0041 0.0024 -0.0045 2671 GLN 63 C -0.0053 0.0023 -0.0056 2672 GLN 63 O -0.0063 0.0024 -0.0065 2673 GLN 63 CB -0.0034 0.0007 -0.0040 2674 GLN 63 CG -0.0024 0.0006 -0.0030 2675 GLN 63 CD -0.0020 -0.0011 -0.0029 2676 GLN 63 OE1 -0.0016 -0.0022 -0.0026 2677 GLN 63 NE2 -0.0021 -0.0015 -0.0030 2678 GLN 63 H -0.0027 0.0030 -0.0030 2679 GLN 63 HA -0.0042 0.0029 -0.0045 2680 GLN 63 HB3 -0.0040 -0.0002 -0.0047 2681 GLN 63 HB2 -0.0031 0.0003 -0.0038 2682 GLN 63 HG3 -0.0016 0.0011 -0.0023 2683 GLN 63 HG2 -0.0026 0.0014 -0.0032 2684 GLN 63 HE22 -0.0018 -0.0026 -0.0029 2685 GLN 63 HE21 -0.0024 -0.0006 -0.0032 2686 ALA 64 N -0.0053 0.0021 -0.0057 2687 ALA 64 CA -0.0065 0.0020 -0.0068 2688 ALA 64 C -0.0072 0.0036 -0.0073 2689 ALA 64 O -0.0084 0.0037 -0.0083 2690 ALA 64 CB -0.0062 0.0015 -0.0066 2691 ALA 64 H -0.0046 0.0020 -0.0050 2692 ALA 64 HA -0.0070 0.0010 -0.0073 2693 ALA 64 HB1 -0.0071 0.0014 -0.0074 2694 ALA 64 HB2 -0.0057 0.0003 -0.0062 2695 ALA 64 HB3 -0.0057 0.0024 -0.0060 2696 ASN 65 N -0.0117 0.0094 -0.0070 2697 ASN 65 CA -0.0108 0.0104 -0.0084 2698 ASN 65 C -0.0105 0.0100 -0.0077 2699 ASN 65 O -0.0117 0.0104 -0.0085 2700 ASN 65 CB -0.0123 0.0114 -0.0103 2701 ASN 65 CG -0.0113 0.0126 -0.0119 2702 ASN 65 OD1 -0.0127 0.0134 -0.0133 2703 ASN 65 ND2 -0.0092 0.0129 -0.0119 2704 ASN 65 H -0.0110 0.0094 -0.0069 2705 ASN 65 HA -0.0092 0.0108 -0.0088 2706 ASN 65 HB3 -0.0139 0.0111 -0.0100 2707 ASN 65 HB2 -0.0127 0.0116 -0.0106 2708 ASN 65 HD22 -0.0085 0.0137 -0.0130 2709 ASN 65 HD21 -0.0082 0.0123 -0.0108 2710 PRO 66 N -0.0091 0.0092 -0.0062 2711 PRO 66 CA -0.0088 0.0087 -0.0054 2712 PRO 66 C -0.0074 0.0097 -0.0066 2713 PRO 66 O -0.0063 0.0106 -0.0079 2714 PRO 66 CB -0.0076 0.0076 -0.0035 2715 PRO 66 CG -0.0063 0.0079 -0.0038 2716 PRO 66 CD -0.0076 0.0087 -0.0052 2717 PRO 66 HA -0.0105 0.0084 -0.0053 2718 PRO 66 HB3 -0.0089 0.0068 -0.0025 2719 PRO 66 HB2 -0.0065 0.0075 -0.0031 2720 PRO 66 HG3 -0.0060 0.0071 -0.0024 2721 PRO 66 HG2 -0.0047 0.0085 -0.0044 2722 PRO 66 HD2 -0.0065 0.0095 -0.0062 2723 PRO 66 HD3 -0.0086 0.0081 -0.0045 2724 ARG 67 N -0.0018 0.0112 0.0029 2725 ARG 67 CA 0.0012 0.0067 0.0030 2726 ARG 67 C 0.0011 0.0038 0.0004 2727 ARG 67 O 0.0007 0.0050 0.0009 2728 ARG 67 CB 0.0047 0.0067 0.0075 2729 ARG 67 CG 0.0069 0.0051 0.0089 2730 ARG 67 CD 0.0102 0.0055 0.0135 2731 ARG 67 NE 0.0121 0.0036 0.0144 2732 ARG 67 CZ 0.0133 0.0057 0.0176 2733 ARG 67 NH1 0.0128 0.0096 0.0202 2734 ARG 67 NH2 0.0150 0.0037 0.0182 2735 ARG 67 H -0.0012 0.0136 0.0057 2736 ARG 67 HA 0.0011 0.0052 0.0016 2737 ARG 67 HB3 0.0063 0.0046 0.0078 2738 ARG 67 HB2 0.0042 0.0100 0.0095 2739 ARG 67 HG3 0.0053 0.0070 0.0085 2740 ARG 67 HG2 0.0077 0.0016 0.0071 2741 ARG 67 HD3 0.0094 0.0090 0.0154 2742 ARG 67 HD2 0.0120 0.0039 0.0144 2743 ARG 67 HE 0.0126 0.0006 0.0124 2744 ARG 67 HH12 0.0137 0.0112 0.0226 2745 ARG 67 HH11 0.0115 0.0111 0.0198 2746 ARG 67 HH22 0.0159 0.0052 0.0206 2747 ARG 67 HH21 0.0155 0.0007 0.0162 2748 GLY 68 N 0.0013 0.0000 -0.0025 2749 GLY 68 CA 0.0014 -0.0032 -0.0050 2750 GLY 68 C -0.0023 -0.0024 -0.0090 2751 GLY 68 O -0.0025 -0.0047 -0.0113 2752 GLY 68 H 0.0014 -0.0007 -0.0030 2753 GLY 68 HA3 0.0028 -0.0031 -0.0032 2754 GLY 68 HA2 0.0030 -0.0065 -0.0057 2755 SER 69 N -0.0026 0.0071 -0.0076 2756 SER 69 CA -0.0027 0.0073 -0.0081 2757 SER 69 C -0.0027 0.0073 -0.0087 2758 SER 69 O -0.0029 0.0075 -0.0087 2759 SER 69 CB -0.0031 0.0077 -0.0080 2760 SER 69 OG -0.0034 0.0080 -0.0081 2761 SER 69 H -0.0028 0.0073 -0.0074 2762 SER 69 HA -0.0025 0.0070 -0.0082 2763 SER 69 HB3 -0.0031 0.0077 -0.0076 2764 SER 69 HB2 -0.0031 0.0078 -0.0083 2765 SER 69 HG -0.0035 0.0081 -0.0078 2766 ALA 70 N -0.0024 0.0070 -0.0091 2767 ALA 70 CA -0.0024 0.0070 -0.0096 2768 ALA 70 C -0.0027 0.0073 -0.0101 2769 ALA 70 O -0.0027 0.0073 -0.0105 2770 ALA 70 CB -0.0020 0.0065 -0.0098 2771 ALA 70 H -0.0023 0.0068 -0.0090 2772 ALA 70 HA -0.0024 0.0070 -0.0095 2773 ALA 70 HB1 -0.0019 0.0065 -0.0102 2774 ALA 70 HB2 -0.0018 0.0063 -0.0095 2775 ALA 70 HB3 -0.0019 0.0065 -0.0100 2776 GLY 71 N -0.0033 0.0053 -0.0026 2777 GLY 71 CA -0.0029 0.0041 -0.0013 2778 GLY 71 C -0.0020 0.0046 0.0007 2779 GLY 71 O -0.0018 0.0060 0.0009 2780 GLY 71 H -0.0035 0.0048 -0.0029 2781 GLY 71 HA3 -0.0030 0.0045 -0.0016 2782 GLY 71 HA2 -0.0032 0.0025 -0.0015 2783 PRO 72 N -0.0016 0.0035 0.0021 2784 PRO 72 CA -0.0007 0.0039 0.0041 2785 PRO 72 C -0.0002 0.0060 0.0046 2786 PRO 72 O -0.0004 0.0067 0.0040 2787 PRO 72 CB -0.0004 0.0022 0.0053 2788 PRO 72 CG -0.0012 0.0007 0.0039 2789 PRO 72 CD -0.0018 0.0018 0.0020 2790 PRO 72 HA -0.0006 0.0038 0.0043 2791 PRO 72 HB3 -0.0001 0.0015 0.0063 2792 PRO 72 HB2 -0.0001 0.0029 0.0059 2793 PRO 72 HG3 -0.0014 -0.0004 0.0037 2794 PRO 72 HG2 -0.0011 -0.0000 0.0043 2795 PRO 72 HD2 -0.0017 0.0025 0.0020 2796 PRO 72 HD3 -0.0024 0.0009 0.0009 2797 CYS 73 N 0.0005 -0.0001 0.0038 2798 CYS 73 CA 0.0007 -0.0000 0.0037 2799 CYS 73 C 0.0007 -0.0000 0.0037 2800 CYS 73 O 0.0006 -0.0001 0.0039 2801 CYS 73 CB 0.0010 -0.0000 0.0038 2802 CYS 73 SG 0.0011 0.0000 0.0041 2803 CYS 73 H 0.0005 -0.0001 0.0040 2804 CYS 73 HA 0.0007 -0.0000 0.0034 2805 CYS 73 HB3 0.0011 -0.0000 0.0037 2806 CYS 73 HB2 0.0012 0.0000 0.0036 2807 CYS 74 N 0.0008 -0.0000 0.0035 2808 CYS 74 CA 0.0008 -0.0000 0.0034 2809 CYS 74 C 0.0010 -0.0000 0.0036 2810 CYS 74 O 0.0013 0.0000 0.0035 2811 CYS 74 CB 0.0008 -0.0000 0.0031 2812 CYS 74 SG 0.0007 -0.0000 0.0031 2813 CYS 74 H 0.0008 -0.0000 0.0033 2814 CYS 74 HA 0.0006 -0.0001 0.0035 2815 CYS 74 HB3 0.0010 -0.0000 0.0030 2816 CYS 74 HB2 0.0006 -0.0001 0.0030 2817 THR 75 N -0.0008 -0.0040 0.0057 2818 THR 75 CA -0.0012 -0.0040 0.0053 2819 THR 75 C -0.0015 -0.0038 0.0048 2820 THR 75 O -0.0013 -0.0035 0.0047 2821 THR 75 CB -0.0009 -0.0037 0.0053 2822 THR 75 OG1 -0.0012 -0.0039 0.0051 2823 THR 75 CG2 -0.0006 -0.0031 0.0049 2824 THR 75 H -0.0006 -0.0037 0.0055 2825 THR 75 HA -0.0014 -0.0044 0.0055 2826 THR 75 HB -0.0005 -0.0038 0.0056 2827 THR 75 HG1 -0.0011 -0.0039 0.0053 2828 THR 75 HG21 -0.0005 -0.0029 0.0049 2829 THR 75 HG22 -0.0004 -0.0030 0.0050 2830 THR 75 HG23 -0.0010 -0.0031 0.0045 2831 PRO 76 N -0.0020 -0.0039 0.0045 2832 PRO 76 CA -0.0023 -0.0037 0.0041 2833 PRO 76 C -0.0021 -0.0031 0.0037 2834 PRO 76 O -0.0019 -0.0029 0.0037 2835 PRO 76 CB -0.0028 -0.0039 0.0038 2836 PRO 76 CG -0.0029 -0.0044 0.0043 2837 PRO 76 CD -0.0023 -0.0043 0.0047 2838 PRO 76 HA -0.0024 -0.0038 0.0041 2839 PRO 76 HB3 -0.0032 -0.0040 0.0036 2840 PRO 76 HB2 -0.0028 -0.0037 0.0036 2841 PRO 76 HG3 -0.0030 -0.0047 0.0044 2842 PRO 76 HG2 -0.0031 -0.0045 0.0042 2843 PRO 76 HD2 -0.0022 -0.0042 0.0046 2844 PRO 76 HD3 -0.0022 -0.0047 0.0050 2845 THR 77 N -0.0003 -0.0071 0.0107 2846 THR 77 CA -0.0002 -0.0068 0.0105 2847 THR 77 C -0.0005 -0.0066 0.0105 2848 THR 77 O -0.0005 -0.0064 0.0104 2849 THR 77 CB 0.0000 -0.0069 0.0106 2850 THR 77 OG1 -0.0002 -0.0072 0.0107 2851 THR 77 CG2 0.0004 -0.0071 0.0106 2852 THR 77 H -0.0004 -0.0073 0.0108 2853 THR 77 HA 0.0000 -0.0066 0.0104 2854 THR 77 HB 0.0000 -0.0067 0.0105 2855 THR 77 HG1 -0.0002 -0.0074 0.0108 2856 THR 77 HG21 0.0005 -0.0072 0.0106 2857 THR 77 HG22 0.0006 -0.0069 0.0105 2858 THR 77 HG23 0.0004 -0.0073 0.0107 2859 LYS 78 N -0.0008 -0.0067 0.0106 2860 LYS 78 CA -0.0012 -0.0066 0.0105 2861 LYS 78 C -0.0015 -0.0067 0.0106 2862 LYS 78 O -0.0015 -0.0069 0.0108 2863 LYS 78 CB -0.0014 -0.0066 0.0106 2864 LYS 78 CG -0.0017 -0.0064 0.0105 2865 LYS 78 CD -0.0019 -0.0065 0.0106 2866 LYS 78 CE -0.0023 -0.0063 0.0105 2867 LYS 78 NZ -0.0024 -0.0064 0.0106 2868 LYS 78 H -0.0008 -0.0070 0.0107 2869 LYS 78 HA -0.0012 -0.0063 0.0104 2870 LYS 78 HB3 -0.0014 -0.0069 0.0107 2871 LYS 78 HB2 -0.0012 -0.0066 0.0105 2872 LYS 78 HG3 -0.0017 -0.0062 0.0104 2873 LYS 78 HG2 -0.0019 -0.0065 0.0106 2874 LYS 78 HD3 -0.0019 -0.0068 0.0107 2875 LYS 78 HD2 -0.0017 -0.0064 0.0105 2876 LYS 78 HE3 -0.0022 -0.0060 0.0104 2877 LYS 78 HE2 -0.0025 -0.0064 0.0106 2878 LYS 78 HZ1 -0.0025 -0.0067 0.0107 2879 LYS 78 HZ2 -0.0027 -0.0063 0.0106 2880 LYS 78 HZ3 -0.0023 -0.0063 0.0106 2881 MET 79 N -0.0100 -0.0064 0.0104 2882 MET 79 CA -0.0099 -0.0053 0.0106 2883 MET 79 C -0.0116 -0.0042 0.0124 2884 MET 79 O -0.0123 -0.0034 0.0133 2885 MET 79 CB -0.0081 -0.0036 0.0097 2886 MET 79 CG -0.0063 -0.0045 0.0080 2887 MET 79 SD -0.0057 -0.0062 0.0070 2888 MET 79 CE -0.0047 -0.0040 0.0070 2889 MET 79 H -0.0101 -0.0054 0.0108 2890 MET 79 HA -0.0099 -0.0067 0.0102 2891 MET 79 HB3 -0.0079 -0.0028 0.0099 2892 MET 79 HB2 -0.0081 -0.0021 0.0103 2893 MET 79 HG3 -0.0051 -0.0031 0.0075 2894 MET 79 HG2 -0.0066 -0.0056 0.0079 2895 MET 79 HE1 -0.0043 -0.0047 0.0063 2896 MET 79 HE2 -0.0035 -0.0029 0.0063 2897 MET 79 HE3 -0.0058 -0.0029 0.0081 2898 SER 80 N -0.0121 -0.0041 0.0128 2899 SER 80 CA -0.0135 -0.0029 0.0144 2900 SER 80 C -0.0127 -0.0011 0.0143 2901 SER 80 O -0.0114 -0.0014 0.0132 2902 SER 80 CB -0.0153 -0.0045 0.0152 2903 SER 80 OG -0.0165 -0.0056 0.0158 2904 SER 80 H -0.0115 -0.0050 0.0120 2905 SER 80 HA -0.0140 -0.0020 0.0150 2906 SER 80 HB3 -0.0161 -0.0035 0.0162 2907 SER 80 HB2 -0.0148 -0.0058 0.0144 2908 SER 80 HG -0.0159 -0.0068 0.0149 2909 PRO 81 N -0.0184 0.0100 0.0229 2910 PRO 81 CA -0.0118 0.0080 0.0232 2911 PRO 81 C -0.0122 0.0043 0.0169 2912 PRO 81 O -0.0179 0.0037 0.0128 2913 PRO 81 CB -0.0122 0.0117 0.0291 2914 PRO 81 CG -0.0203 0.0145 0.0291 2915 PRO 81 CD -0.0239 0.0140 0.0263 2916 PRO 81 HA -0.0069 0.0068 0.0240 2917 PRO 81 HB3 -0.0097 0.0137 0.0337 2918 PRO 81 HB2 -0.0097 0.0104 0.0283 2919 PRO 81 HG3 -0.0213 0.0179 0.0341 2920 PRO 81 HG2 -0.0223 0.0132 0.0259 2921 PRO 81 HD2 -0.0288 0.0135 0.0227 2922 PRO 81 HD3 -0.0249 0.0168 0.0303 2923 ILE 82 N -0.0061 0.0017 0.0160 2924 ILE 82 CA -0.0064 -0.0011 0.0114 2925 ILE 82 C -0.0022 -0.0003 0.0149 2926 ILE 82 O 0.0026 0.0010 0.0198 2927 ILE 82 CB -0.0032 -0.0060 0.0051 2928 ILE 82 CG1 0.0048 -0.0076 0.0070 2929 ILE 82 CG2 -0.0079 -0.0070 0.0010 2930 ILE 82 CD1 0.0088 -0.0126 0.0011 2931 ILE 82 H -0.0012 0.0016 0.0186 2932 ILE 82 HA -0.0121 -0.0000 0.0099 2933 ILE 82 HB -0.0032 -0.0078 0.0022 2934 ILE 82 HG13 0.0077 -0.0063 0.0108 2935 ILE 82 HG12 0.0049 -0.0063 0.0091 2936 ILE 82 HG21 -0.0055 -0.0105 -0.0034 2937 ILE 82 HG22 -0.0134 -0.0060 -0.0006 2938 ILE 82 HG23 -0.0081 -0.0051 0.0038 2939 ILE 82 HD11 0.0145 -0.0135 0.0027 2940 ILE 82 HD12 0.0089 -0.0138 -0.0009 2941 ILE 82 HD13 0.0060 -0.0139 -0.0027 2942 ASN 83 N -0.0037 -0.0024 0.0046 2943 ASN 83 CA -0.0015 -0.0037 0.0055 2944 ASN 83 C 0.0027 -0.0083 0.0040 2945 ASN 83 O 0.0025 -0.0110 0.0002 2946 ASN 83 CB -0.0050 -0.0029 0.0026 2947 ASN 83 CG -0.0091 0.0018 0.0042 2948 ASN 83 OD1 -0.0133 0.0028 0.0008 2949 ASN 83 ND2 -0.0084 0.0044 0.0084 2950 ASN 83 H -0.0066 -0.0024 0.0015 2951 ASN 83 HA -0.0002 -0.0018 0.0094 2952 ASN 83 HB3 -0.0032 -0.0040 0.0031 2953 ASN 83 HB2 -0.0063 -0.0047 -0.0013 2954 ASN 83 HD22 -0.0112 0.0075 0.0095 2955 ASN 83 HD21 -0.0052 0.0035 0.0109 2956 MET 84 N 0.0066 -0.0094 0.0070 2957 MET 84 CA 0.0108 -0.0137 0.0059 2958 MET 84 C 0.0132 -0.0152 0.0067 2959 MET 84 O 0.0131 -0.0127 0.0099 2960 MET 84 CB 0.0143 -0.0143 0.0090 2961 MET 84 CG 0.0124 -0.0134 0.0081 2962 MET 84 SD 0.0166 -0.0147 0.0113 2963 MET 84 CE 0.0198 -0.0203 0.0074 2964 MET 84 H 0.0067 -0.0071 0.0101 2965 MET 84 HA 0.0098 -0.0157 0.0021 2966 MET 84 HB3 0.0175 -0.0176 0.0083 2967 MET 84 HB2 0.0153 -0.0124 0.0129 2968 MET 84 HG3 0.0094 -0.0100 0.0093 2969 MET 84 HG2 0.0109 -0.0151 0.0042 2970 MET 84 HE1 0.0226 -0.0215 0.0088 2971 MET 84 HE2 0.0214 -0.0217 0.0072 2972 MET 84 HE3 0.0175 -0.0211 0.0037 2973 LEU 85 N 0.0032 -0.0132 0.0083 2974 LEU 85 CA 0.0005 -0.0127 0.0074 2975 LEU 85 C -0.0008 -0.0126 0.0080 2976 LEU 85 O -0.0008 -0.0131 0.0103 2977 LEU 85 CB -0.0009 -0.0127 0.0087 2978 LEU 85 CG -0.0034 -0.0121 0.0074 2979 LEU 85 CD1 -0.0028 -0.0116 0.0047 2980 LEU 85 CD2 -0.0047 -0.0123 0.0091 2981 LEU 85 H 0.0034 -0.0137 0.0102 2982 LEU 85 HA 0.0006 -0.0122 0.0053 2983 LEU 85 HB3 -0.0014 -0.0131 0.0107 2984 LEU 85 HB2 0.0005 -0.0130 0.0088 2985 LEU 85 HG -0.0047 -0.0118 0.0072 2986 LEU 85 HD11 -0.0046 -0.0111 0.0039 2987 LEU 85 HD12 -0.0019 -0.0114 0.0035 2988 LEU 85 HD13 -0.0014 -0.0118 0.0048 2989 LEU 85 HD21 -0.0065 -0.0118 0.0082 2990 LEU 85 HD22 -0.0034 -0.0125 0.0094 2991 LEU 85 HD23 -0.0052 -0.0126 0.0110 2992 TYR 86 N -0.0018 -0.0120 0.0061 2993 TYR 86 CA -0.0028 -0.0119 0.0064 2994 TYR 86 C -0.0049 -0.0112 0.0045 2995 TYR 86 O -0.0054 -0.0107 0.0027 2996 TYR 86 CB -0.0005 -0.0122 0.0060 2997 TYR 86 CG 0.0009 -0.0118 0.0034 2998 TYR 86 CD1 0.0029 -0.0120 0.0029 2999 TYR 86 CD2 -0.0000 -0.0112 0.0013 3000 TYR 86 CE1 0.0041 -0.0117 0.0005 3001 TYR 86 CE2 0.0012 -0.0109 -0.0011 3002 TYR 86 CZ 0.0033 -0.0111 -0.0015 3003 TYR 86 OH 0.0045 -0.0108 -0.0040 3004 TYR 86 H -0.0020 -0.0116 0.0043 3005 TYR 86 HA -0.0036 -0.0123 0.0084 3006 TYR 86 HB3 0.0009 -0.0128 0.0075 3007 TYR 86 HB2 -0.0012 -0.0122 0.0063 3008 TYR 86 HD1 0.0036 -0.0125 0.0045 3009 TYR 86 HD2 -0.0016 -0.0111 0.0016 3010 TYR 86 HE1 0.0058 -0.0119 0.0002 3011 TYR 86 HE2 0.0005 -0.0104 -0.0027 3012 TYR 86 HH 0.0052 -0.0108 -0.0042 3013 PHE 87 N -0.0283 -0.0061 -0.0090 3014 PHE 87 CA -0.0278 -0.0042 -0.0093 3015 PHE 87 C -0.0254 -0.0029 -0.0099 3016 PHE 87 O -0.0235 -0.0040 -0.0100 3017 PHE 87 CB -0.0275 -0.0054 -0.0092 3018 PHE 87 CG -0.0298 -0.0064 -0.0087 3019 PHE 87 CD1 -0.0315 -0.0048 -0.0087 3020 PHE 87 CD2 -0.0303 -0.0089 -0.0082 3021 PHE 87 CE1 -0.0337 -0.0057 -0.0082 3022 PHE 87 CE2 -0.0325 -0.0098 -0.0078 3023 PHE 87 CZ -0.0342 -0.0082 -0.0078 3024 PHE 87 H -0.0275 -0.0078 -0.0088 3025 PHE 87 HA -0.0293 -0.0029 -0.0093 3026 PHE 87 HB3 -0.0267 -0.0041 -0.0095 3027 PHE 87 HB2 -0.0261 -0.0069 -0.0092 3028 PHE 87 HD1 -0.0312 -0.0029 -0.0090 3029 PHE 87 HD2 -0.0290 -0.0102 -0.0082 3030 PHE 87 HE1 -0.0350 -0.0045 -0.0082 3031 PHE 87 HE2 -0.0328 -0.0117 -0.0074 3032 PHE 87 HZ -0.0358 -0.0089 -0.0074 3033 ASN 88 N -0.0256 -0.0005 -0.0102 3034 ASN 88 CA -0.0233 0.0009 -0.0108 3035 ASN 88 C -0.0221 0.0012 -0.0110 3036 ASN 88 O -0.0229 0.0001 -0.0107 3037 ASN 88 CB -0.0239 0.0035 -0.0111 3038 ASN 88 CG -0.0255 0.0051 -0.0111 3039 ASN 88 OD1 -0.0261 0.0046 -0.0109 3040 ASN 88 ND2 -0.0264 0.0072 -0.0113 3041 ASN 88 H -0.0272 0.0004 -0.0101 3042 ASN 88 HA -0.0221 -0.0001 -0.0108 3043 ASN 88 HB3 -0.0247 0.0032 -0.0109 3044 ASN 88 HB2 -0.0222 0.0044 -0.0115 3045 ASN 88 HD22 -0.0275 0.0084 -0.0113 3046 ASN 88 HD21 -0.0259 0.0076 -0.0114 3047 ASP 89 N -0.0601 -0.0031 -0.0257 3048 ASP 89 CA -0.0304 -0.0052 -0.0235 3049 ASP 89 C -0.0084 -0.0050 -0.0167 3050 ASP 89 O 0.0164 -0.0103 -0.0248 3051 ASP 89 CB -0.0280 0.0019 -0.0025 3052 ASP 89 CG -0.0411 -0.0005 -0.0131 3053 ASP 89 OD1 -0.0455 -0.0089 -0.0383 3054 ASP 89 OD2 -0.0469 0.0059 0.0037 3055 ASP 89 H -0.0750 0.0025 -0.0141 3056 ASP 89 HA -0.0251 -0.0126 -0.0432 3057 ASP 89 HB3 -0.0054 0.0016 0.0032 3058 ASP 89 HB2 -0.0387 0.0093 0.0160 3059 LYS 90 N -0.0173 0.0011 -0.0017 3060 LYS 90 CA 0.0020 0.0017 0.0056 3061 LYS 90 C 0.0026 -0.0063 -0.0174 3062 LYS 90 O 0.0160 -0.0066 -0.0145 3063 LYS 90 CB -0.0075 0.0117 0.0316 3064 LYS 90 CG -0.0075 0.0204 0.0566 3065 LYS 90 CD -0.0292 0.0294 0.0763 3066 LYS 90 CE -0.0244 0.0388 0.1047 3067 LYS 90 NZ -0.0380 0.0473 0.1254 3068 LYS 90 H -0.0377 0.0053 0.0047 3069 LYS 90 HA 0.0236 0.0008 0.0091 3070 LYS 90 HB3 0.0062 0.0118 0.0356 3071 LYS 90 HB2 -0.0288 0.0126 0.0281 3072 LYS 90 HG3 -0.0134 0.0189 0.0506 3073 LYS 90 HG2 0.0139 0.0217 0.0664 3074 LYS 90 HD3 -0.0277 0.0295 0.0771 3075 LYS 90 HD2 -0.0509 0.0289 0.0688 3076 LYS 90 HE3 -0.0337 0.0400 0.1056 3077 LYS 90 HE2 -0.0014 0.0381 0.1094 3078 LYS 90 HZ1 -0.0292 0.0462 0.1248 3079 LYS 90 HZ2 -0.0345 0.0535 0.1442 3080 LYS 90 HZ3 -0.0593 0.0479 0.1212 3081 GLN 91 N -0.0290 -0.0030 -0.0171 3082 GLN 91 CA -0.0347 -0.0093 -0.0166 3083 GLN 91 C -0.0423 -0.0062 -0.0189 3084 GLN 91 O -0.0486 -0.0097 -0.0191 3085 GLN 91 CB -0.0360 -0.0142 -0.0155 3086 GLN 91 CG -0.0286 -0.0173 -0.0132 3087 GLN 91 CD -0.0243 -0.0221 -0.0110 3088 GLN 91 OE1 -0.0277 -0.0256 -0.0108 3089 GLN 91 NE2 -0.0167 -0.0225 -0.0095 3090 GLN 91 H -0.0240 -0.0029 -0.0162 3091 GLN 91 HA -0.0324 -0.0129 -0.0151 3092 GLN 91 HB3 -0.0402 -0.0189 -0.0150 3093 GLN 91 HB2 -0.0389 -0.0109 -0.0169 3094 GLN 91 HG3 -0.0301 -0.0207 -0.0126 3095 GLN 91 HG2 -0.0248 -0.0125 -0.0137 3096 GLN 91 HE22 -0.0135 -0.0256 -0.0080 3097 GLN 91 HE21 -0.0141 -0.0196 -0.0097 3098 GLN 92 N -0.0418 0.0004 -0.0206 3099 GLN 92 CA -0.0486 0.0034 -0.0227 3100 GLN 92 C -0.0496 -0.0001 -0.0220 3101 GLN 92 O -0.0439 -0.0017 -0.0204 3102 GLN 92 CB -0.0477 0.0121 -0.0249 3103 GLN 92 CG -0.0469 0.0162 -0.0259 3104 GLN 92 CD -0.0446 0.0246 -0.0277 3105 GLN 92 OE1 -0.0398 0.0268 -0.0274 3106 GLN 92 NE2 -0.0479 0.0294 -0.0297 3107 GLN 92 H -0.0366 0.0034 -0.0204 3108 GLN 92 HA -0.0537 0.0019 -0.0233 3109 GLN 92 HB3 -0.0526 0.0142 -0.0265 3110 GLN 92 HB2 -0.0426 0.0137 -0.0244 3111 GLN 92 HG3 -0.0426 0.0134 -0.0243 3112 GLN 92 HG2 -0.0524 0.0156 -0.0268 3113 GLN 92 HE22 -0.0466 0.0351 -0.0309 3114 GLN 92 HE21 -0.0518 0.0273 -0.0299 3115 ILE 93 N -0.0365 -0.0006 -0.0102 3116 ILE 93 CA -0.0335 -0.0019 -0.0075 3117 ILE 93 C -0.0292 -0.0004 -0.0107 3118 ILE 93 O -0.0303 0.0014 -0.0143 3119 ILE 93 CB -0.0371 -0.0028 -0.0056 3120 ILE 93 CG1 -0.0415 -0.0044 -0.0025 3121 ILE 93 CG2 -0.0339 -0.0042 -0.0029 3122 ILE 93 CD1 -0.0460 -0.0048 -0.0015 3123 ILE 93 H -0.0401 0.0001 -0.0115 3124 ILE 93 HA -0.0316 -0.0035 -0.0045 3125 ILE 93 HB -0.0389 -0.0013 -0.0087 3126 ILE 93 HG13 -0.0432 -0.0035 -0.0042 3127 ILE 93 HG12 -0.0398 -0.0060 0.0009 3128 ILE 93 HG21 -0.0365 -0.0049 -0.0015 3129 ILE 93 HG22 -0.0309 -0.0031 -0.0052 3130 ILE 93 HG23 -0.0319 -0.0057 0.0001 3131 ILE 93 HD11 -0.0490 -0.0059 0.0008 3132 ILE 93 HD12 -0.0478 -0.0031 -0.0048 3133 ILE 93 HD13 -0.0444 -0.0057 0.0004 3134 ILE 94 N -0.0242 -0.0011 -0.0094 3135 ILE 94 CA -0.0197 0.0003 -0.0123 3136 ILE 94 C -0.0161 -0.0011 -0.0096 3137 ILE 94 O -0.0146 -0.0031 -0.0055 3138 ILE 94 CB -0.0164 0.0012 -0.0142 3139 ILE 94 CG1 -0.0199 0.0027 -0.0171 3140 ILE 94 CG2 -0.0117 0.0026 -0.0171 3141 ILE 94 CD1 -0.0223 0.0049 -0.0216 3142 ILE 94 H -0.0234 -0.0026 -0.0064 3143 ILE 94 HA -0.0213 0.0019 -0.0154 3144 ILE 94 HB -0.0149 -0.0003 -0.0111 3145 ILE 94 HG13 -0.0176 0.0031 -0.0180 3146 ILE 94 HG12 -0.0231 0.0016 -0.0148 3147 ILE 94 HG21 -0.0095 0.0032 -0.0184 3148 ILE 94 HG22 -0.0092 0.0015 -0.0149 3149 ILE 94 HG23 -0.0132 0.0041 -0.0202 3150 ILE 94 HD11 -0.0247 0.0059 -0.0234 3151 ILE 94 HD12 -0.0191 0.0061 -0.0240 3152 ILE 94 HD13 -0.0248 0.0045 -0.0207 3153 TYR 95 N -0.0008 -0.0176 0.0045 3154 TYR 95 CA 0.0011 -0.0151 0.0047 3155 TYR 95 C 0.0029 -0.0128 0.0052 3156 TYR 95 O 0.0028 -0.0125 0.0037 3157 TYR 95 CB 0.0010 -0.0144 0.0014 3158 TYR 95 CG 0.0031 -0.0117 0.0012 3159 TYR 95 CD1 0.0036 -0.0113 0.0026 3160 TYR 95 CD2 0.0045 -0.0094 -0.0005 3161 TYR 95 CE1 0.0054 -0.0088 0.0023 3162 TYR 95 CE2 0.0064 -0.0068 -0.0008 3163 TYR 95 CZ 0.0068 -0.0066 0.0006 3164 TYR 95 OH 0.0087 -0.0041 0.0004 3165 TYR 95 H -0.0014 -0.0179 0.0023 3166 TYR 95 HA 0.0012 -0.0154 0.0068 3167 TYR 95 HB3 0.0006 -0.0146 -0.0007 3168 TYR 95 HB2 -0.0002 -0.0160 0.0013 3169 TYR 95 HD1 0.0025 -0.0130 0.0039 3170 TYR 95 HD2 0.0042 -0.0096 -0.0017 3171 TYR 95 HE1 0.0058 -0.0086 0.0035 3172 TYR 95 HE2 0.0075 -0.0051 -0.0021 3173 TYR 95 HH 0.0087 -0.0042 0.0015 3174 GLY 96 N 0.0046 -0.0111 0.0074 3175 GLY 96 CA 0.0064 -0.0089 0.0081 3176 GLY 96 C 0.0083 -0.0067 0.0097 3177 GLY 96 O 0.0082 -0.0072 0.0117 3178 GLY 96 H 0.0046 -0.0114 0.0087 3179 GLY 96 HA3 0.0060 -0.0096 0.0097 3180 GLY 96 HA2 0.0066 -0.0080 0.0057 3181 LYS 97 N 0.0027 0.0150 0.0348 3182 LYS 97 CA -0.0036 0.0155 0.0315 3183 LYS 97 C 0.0021 0.0154 0.0350 3184 LYS 97 O 0.0050 0.0197 0.0431 3185 LYS 97 CB -0.0134 0.0219 0.0345 3186 LYS 97 CG -0.0222 0.0210 0.0275 3187 LYS 97 CD -0.0311 0.0277 0.0316 3188 LYS 97 CE -0.0280 0.0322 0.0402 3189 LYS 97 NZ -0.0360 0.0392 0.0453 3190 LYS 97 H 0.0019 0.0193 0.0405 3191 LYS 97 HA -0.0052 0.0112 0.0242 3192 LYS 97 HB3 -0.0128 0.0259 0.0407 3193 LYS 97 HB2 -0.0149 0.0236 0.0361 3194 LYS 97 HG3 -0.0244 0.0183 0.0221 3195 LYS 97 HG2 -0.0201 0.0180 0.0245 3196 LYS 97 HD3 -0.0345 0.0301 0.0331 3197 LYS 97 HD2 -0.0367 0.0268 0.0268 3198 LYS 97 HE3 -0.0262 0.0303 0.0386 3199 LYS 97 HE2 -0.0213 0.0321 0.0444 3200 LYS 97 HZ1 -0.0376 0.0410 0.0469 3201 LYS 97 HZ2 -0.0337 0.0420 0.0510 3202 LYS 97 HZ3 -0.0422 0.0393 0.0415 3203 ILE 98 N 0.0040 0.0103 0.0288 3204 ILE 98 CA 0.0101 0.0093 0.0313 3205 ILE 98 C 0.0038 0.0115 0.0304 3206 ILE 98 O -0.0002 0.0082 0.0230 3207 ILE 98 CB 0.0177 0.0020 0.0254 3208 ILE 98 CG1 0.0234 -0.0005 0.0253 3209 ILE 98 CG2 0.0246 0.0011 0.0284 3210 ILE 98 CD1 0.0298 0.0029 0.0345 3211 ILE 98 H 0.0012 0.0071 0.0222 3212 ILE 98 HA 0.0142 0.0123 0.0382 3213 ILE 98 HB 0.0136 -0.0009 0.0185 3214 ILE 98 HG13 0.0281 -0.0059 0.0205 3215 ILE 98 HG12 0.0182 0.0000 0.0228 3216 ILE 98 HG21 0.0299 -0.0042 0.0242 3217 ILE 98 HG22 0.0202 0.0026 0.0279 3218 ILE 98 HG23 0.0286 0.0041 0.0354 3219 ILE 98 HD11 0.0336 0.0009 0.0339 3220 ILE 98 HD12 0.0353 0.0022 0.0369 3221 ILE 98 HD13 0.0250 0.0083 0.0392 3222 PRO 99 N 0.0054 0.0140 0.0414 3223 PRO 99 CA -0.0021 0.0112 0.0391 3224 PRO 99 C 0.0011 0.0069 0.0297 3225 PRO 99 O 0.0104 0.0074 0.0265 3226 PRO 99 CB -0.0019 0.0155 0.0475 3227 PRO 99 CG 0.0029 0.0206 0.0552 3228 PRO 99 CD 0.0105 0.0196 0.0500 3229 PRO 99 HA -0.0099 0.0094 0.0391 3230 PRO 99 HB3 -0.0099 0.0151 0.0501 3231 PRO 99 HB2 0.0031 0.0155 0.0453 3232 PRO 99 HG3 -0.0032 0.0214 0.0594 3233 PRO 99 HG2 0.0071 0.0237 0.0594 3234 PRO 99 HD2 0.0179 0.0203 0.0480 3235 PRO 99 HD3 0.0109 0.0220 0.0543 3236 GLY 100 N -0.0067 0.0030 0.0254 3237 GLY 100 CA -0.0048 -0.0009 0.0171 3238 GLY 100 C 0.0001 -0.0045 0.0081 3239 GLY 100 O 0.0065 -0.0060 0.0026 3240 GLY 100 H -0.0142 0.0026 0.0279 3241 GLY 100 HA3 0.0000 0.0010 0.0189 3242 GLY 100 HA2 -0.0122 -0.0034 0.0157 3243 MET 101 N 0.0005 -0.0046 0.0094 3244 MET 101 CA 0.0020 -0.0053 0.0067 3245 MET 101 C -0.0002 -0.0059 0.0041 3246 MET 101 O 0.0007 -0.0065 0.0017 3247 MET 101 CB 0.0035 -0.0052 0.0071 3248 MET 101 CG 0.0063 -0.0049 0.0090 3249 MET 101 SD 0.0094 -0.0053 0.0073 3250 MET 101 CE 0.0103 -0.0061 0.0044 3251 MET 101 H -0.0008 -0.0043 0.0104 3252 MET 101 HA 0.0037 -0.0054 0.0063 3253 MET 101 HB3 0.0040 -0.0058 0.0049 3254 MET 101 HB2 0.0019 -0.0050 0.0080 3255 MET 101 HG3 0.0069 -0.0048 0.0095 3256 MET 101 HG2 0.0057 -0.0043 0.0111 3257 MET 101 HE1 0.0121 -0.0064 0.0031 3258 MET 101 HE2 0.0109 -0.0059 0.0052 3259 MET 101 HE3 0.0083 -0.0064 0.0029 3260 VAL 102 N -0.0030 -0.0057 0.0047 3261 VAL 102 CA -0.0053 -0.0061 0.0024 3262 VAL 102 C -0.0078 -0.0060 0.0028 3263 VAL 102 O -0.0089 -0.0054 0.0052 3264 VAL 102 CB -0.0067 -0.0061 0.0022 3265 VAL 102 CG1 -0.0091 -0.0066 -0.0001 3266 VAL 102 CG2 -0.0043 -0.0063 0.0016 3267 VAL 102 H -0.0036 -0.0051 0.0067 3268 VAL 102 HA -0.0042 -0.0067 0.0003 3269 VAL 102 HB -0.0077 -0.0056 0.0043 3270 VAL 102 HG11 -0.0101 -0.0066 -0.0001 3271 VAL 102 HG12 -0.0109 -0.0065 0.0005 3272 VAL 102 HG13 -0.0082 -0.0072 -0.0022 3273 VAL 102 HG21 -0.0053 -0.0063 0.0015 3274 VAL 102 HG22 -0.0032 -0.0069 -0.0005 3275 VAL 102 HG23 -0.0026 -0.0060 0.0034 3276 VAL 103 N -0.0026 -0.0044 0.0035 3277 VAL 103 CA -0.0031 -0.0056 0.0030 3278 VAL 103 C -0.0034 -0.0065 0.0039 3279 VAL 103 O -0.0034 -0.0065 0.0041 3280 VAL 103 CB -0.0032 -0.0057 0.0016 3281 VAL 103 CG1 -0.0037 -0.0070 0.0012 3282 VAL 103 CG2 -0.0029 -0.0050 0.0007 3283 VAL 103 H -0.0024 -0.0039 0.0032 3284 VAL 103 HA -0.0032 -0.0058 0.0031 3285 VAL 103 HB -0.0030 -0.0053 0.0015 3286 VAL 103 HG11 -0.0038 -0.0071 0.0001 3287 VAL 103 HG12 -0.0039 -0.0076 0.0018 3288 VAL 103 HG13 -0.0039 -0.0074 0.0012 3289 VAL 103 HG21 -0.0030 -0.0050 -0.0003 3290 VAL 103 HG22 -0.0030 -0.0053 0.0008 3291 VAL 103 HG23 -0.0025 -0.0040 0.0010 3292 ASP 104 N -0.0038 -0.0074 0.0045 3293 ASP 104 CA -0.0041 -0.0083 0.0053 3294 ASP 104 C -0.0046 -0.0095 0.0045 3295 ASP 104 O -0.0049 -0.0101 0.0048 3296 ASP 104 CB -0.0042 -0.0087 0.0064 3297 ASP 104 CG -0.0038 -0.0076 0.0073 3298 ASP 104 OD1 -0.0034 -0.0068 0.0074 3299 ASP 104 OD2 -0.0037 -0.0076 0.0078 3300 ASP 104 H -0.0038 -0.0074 0.0043 3301 ASP 104 HA -0.0040 -0.0080 0.0057 3302 ASP 104 HB3 -0.0045 -0.0094 0.0070 3303 ASP 104 HB2 -0.0044 -0.0091 0.0060 3304 ARG 105 N 0.0038 -0.0052 0.0067 3305 ARG 105 CA 0.0027 -0.0052 0.0064 3306 ARG 105 C 0.0017 -0.0051 0.0060 3307 ARG 105 O 0.0017 -0.0054 0.0063 3308 ARG 105 CB 0.0023 -0.0061 0.0070 3309 ARG 105 CG 0.0011 -0.0063 0.0068 3310 ARG 105 CD 0.0009 -0.0073 0.0075 3311 ARG 105 NE 0.0020 -0.0076 0.0080 3312 ARG 105 CZ 0.0022 -0.0085 0.0088 3313 ARG 105 NH1 0.0014 -0.0092 0.0091 3314 ARG 105 NH2 0.0033 -0.0086 0.0092 3315 ARG 105 H 0.0038 -0.0054 0.0069 3316 ARG 105 HA 0.0028 -0.0045 0.0059 3317 ARG 105 HB3 0.0024 -0.0068 0.0075 3318 ARG 105 HB2 0.0030 -0.0062 0.0073 3319 ARG 105 HG3 0.0011 -0.0057 0.0063 3320 ARG 105 HG2 0.0004 -0.0063 0.0065 3321 ARG 105 HD3 0.0003 -0.0073 0.0072 3322 ARG 105 HD2 0.0005 -0.0079 0.0078 3323 ARG 105 HE 0.0027 -0.0070 0.0078 3324 ARG 105 HH12 0.0016 -0.0100 0.0097 3325 ARG 105 HH11 0.0006 -0.0091 0.0088 3326 ARG 105 HH22 0.0034 -0.0093 0.0098 3327 ARG 105 HH21 0.0039 -0.0081 0.0090 3328 CYS 106 N 0.0009 -0.0046 0.0053 3329 CYS 106 CA -0.0001 -0.0044 0.0049 3330 CYS 106 C -0.0013 -0.0048 0.0049 3331 CYS 106 O -0.0014 -0.0049 0.0049 3332 CYS 106 CB -0.0001 -0.0033 0.0040 3333 CYS 106 SG 0.0012 -0.0027 0.0040 3334 CYS 106 H 0.0009 -0.0042 0.0051 3335 CYS 106 HA -0.0001 -0.0047 0.0052 3336 CYS 106 HB3 -0.0009 -0.0031 0.0037 3337 CYS 106 HB2 -0.0001 -0.0029 0.0038 3338 GLY 107 N 0.0023 -0.0016 0.0088 3339 GLY 107 CA 0.0021 -0.0013 0.0090 3340 GLY 107 C 0.0021 -0.0014 0.0093 3341 GLY 107 O 0.0022 -0.0016 0.0094 3342 GLY 107 H 0.0024 -0.0019 0.0089 3343 GLY 107 HA3 0.0021 -0.0013 0.0090 3344 GLY 107 HA2 0.0020 -0.0011 0.0088 3345 CYS 108 N 0.0019 -0.0011 0.0095 3346 CYS 108 CA 0.0018 -0.0011 0.0099 3347 CYS 108 C 0.0018 -0.0012 0.0102 3348 CYS 108 O 0.0017 -0.0009 0.0102 3349 CYS 108 CB 0.0016 -0.0008 0.0099 3350 CYS 108 SG 0.0017 -0.0008 0.0096 3351 CYS 108 H 0.0018 -0.0009 0.0094 3352 CYS 108 HA 0.0019 -0.0013 0.0099 3353 CYS 108 HB3 0.0016 -0.0008 0.0102 3354 CYS 108 HB2 0.0015 -0.0006 0.0098 3355 SER 109 N 0.0019 0.0002 0.0085 3356 SER 109 CA 0.0018 0.0002 0.0081 3357 SER 109 C 0.0018 0.0003 0.0073 3358 SER 109 O 0.0017 0.0007 0.0071 3359 SER 109 CB 0.0018 0.0008 0.0084 3360 SER 109 OG 0.0018 0.0007 0.0091 3361 SER 109 OXT 0.0018 -0.0001 0.0069 3362 SER 109 H 0.0018 0.0006 0.0084 3363 SER 109 HA 0.0019 -0.0003 0.0082 3364 SER 109 HB3 0.0018 0.0007 0.0082 3365 SER 109 HB2 0.0017 0.0013 0.0082 3366 SER 109 HG 0.0018 0.0008 0.0093