1 ASN 1 N 0.0099 0.0088 0.0172 2 ASN 1 CA 0.0169 0.0070 0.0175 3 ASN 1 C 0.0194 0.0043 0.0098 4 ASN 1 O 0.0257 0.0022 0.0083 5 ASN 1 CB 0.0166 0.0083 0.0216 6 ASN 1 CG 0.0237 0.0065 0.0218 7 ASN 1 OD1 0.0232 0.0067 0.0222 8 ASN 1 ND2 0.0296 0.0048 0.0214 9 ASN 1 H1 0.0083 0.0106 0.0223 10 ASN 1 H2 0.0104 0.0079 0.0146 11 ASN 1 HA 0.0210 0.0068 0.0204 12 ASN 1 HB3 0.0121 0.0087 0.0192 13 ASN 1 HB2 0.0152 0.0102 0.0272 14 ASN 1 HD22 0.0343 0.0036 0.0215 15 ASN 1 HD21 0.0296 0.0047 0.0210 16 LEU 2 N 0.0145 0.0042 0.0051 17 LEU 2 CA 0.0160 0.0018 -0.0025 18 LEU 2 C 0.0145 0.0010 -0.0069 19 LEU 2 O 0.0156 -0.0011 -0.0134 20 LEU 2 CB 0.0114 0.0020 -0.0059 21 LEU 2 CG 0.0138 0.0018 -0.0043 22 LEU 2 CD1 0.0074 0.0032 -0.0054 23 LEU 2 CD2 0.0199 -0.0011 -0.0091 24 LEU 2 H 0.0096 0.0060 0.0067 25 LEU 2 HA 0.0218 0.0002 -0.0028 26 LEU 2 HB3 0.0108 0.0006 -0.0118 27 LEU 2 HB2 0.0058 0.0038 -0.0045 28 LEU 2 HG 0.0159 0.0028 0.0014 29 LEU 2 HD11 0.0093 0.0030 -0.0043 30 LEU 2 HD12 0.0032 0.0053 -0.0018 31 LEU 2 HD13 0.0052 0.0022 -0.0111 32 LEU 2 HD21 0.0216 -0.0012 -0.0080 33 LEU 2 HD22 0.0179 -0.0021 -0.0148 34 LEU 2 HD23 0.0245 -0.0020 -0.0080 35 GLY 3 N 0.0049 0.0019 -0.0100 36 GLY 3 CA 0.0047 0.0025 -0.0094 37 GLY 3 C 0.0048 0.0023 -0.0079 38 GLY 3 O 0.0049 0.0018 -0.0072 39 GLY 3 H 0.0049 0.0020 -0.0096 40 GLY 3 HA3 0.0044 0.0036 -0.0096 41 GLY 3 HA2 0.0048 0.0023 -0.0099 42 LEU 4 N 0.0047 0.0025 -0.0074 43 LEU 4 CA 0.0047 0.0023 -0.0059 44 LEU 4 C 0.0043 0.0036 -0.0052 45 LEU 4 O 0.0041 0.0045 -0.0057 46 LEU 4 CB 0.0049 0.0015 -0.0058 47 LEU 4 CG 0.0051 0.0008 -0.0045 48 LEU 4 CD1 0.0053 -0.0001 -0.0040 49 LEU 4 CD2 0.0053 0.0001 -0.0046 50 LEU 4 H 0.0046 0.0029 -0.0080 51 LEU 4 HA 0.0048 0.0018 -0.0055 52 LEU 4 HB3 0.0048 0.0020 -0.0062 53 LEU 4 HB2 0.0052 0.0007 -0.0066 54 LEU 4 HG 0.0048 0.0016 -0.0037 55 LEU 4 HD11 0.0054 -0.0005 -0.0031 56 LEU 4 HD12 0.0051 0.0005 -0.0039 57 LEU 4 HD13 0.0055 -0.0008 -0.0048 58 LEU 4 HD21 0.0054 -0.0003 -0.0037 59 LEU 4 HD22 0.0055 -0.0006 -0.0054 60 LEU 4 HD23 0.0051 0.0008 -0.0049 61 ASP 5 N 0.0048 -0.0002 -0.0035 62 ASP 5 CA 0.0047 0.0017 -0.0022 63 ASP 5 C 0.0050 0.0012 -0.0000 64 ASP 5 O 0.0052 -0.0002 0.0010 65 ASP 5 CB 0.0046 0.0029 -0.0022 66 ASP 5 CG 0.0043 0.0040 -0.0042 67 ASP 5 OD1 0.0042 0.0043 -0.0054 68 ASP 5 OD2 0.0042 0.0047 -0.0045 69 ASP 5 H 0.0049 -0.0013 -0.0031 70 ASP 5 HA 0.0046 0.0027 -0.0030 71 ASP 5 HB3 0.0047 0.0040 -0.0009 72 ASP 5 HB2 0.0048 0.0018 -0.0018 73 CYS 6 N 0.0050 0.0025 0.0007 74 CYS 6 CA 0.0052 0.0022 0.0028 75 CYS 6 C 0.0051 0.0043 0.0039 76 CYS 6 O 0.0048 0.0060 0.0029 77 CYS 6 CB 0.0053 0.0013 0.0028 78 CYS 6 SG 0.0054 -0.0011 0.0015 79 CYS 6 H 0.0048 0.0036 -0.0002 80 CYS 6 HA 0.0054 0.0012 0.0037 81 CYS 6 HB3 0.0054 0.0011 0.0044 82 CYS 6 HB2 0.0051 0.0024 0.0021 83 ASP 7 N -0.0003 -0.0017 0.0127 84 ASP 7 CA -0.0032 0.0027 0.0151 85 ASP 7 C -0.0051 0.0050 0.0169 86 ASP 7 O -0.0041 0.0033 0.0162 87 ASP 7 CB -0.0053 0.0008 0.0190 88 ASP 7 CG -0.0062 -0.0037 0.0225 89 ASP 7 OD1 -0.0084 -0.0027 0.0253 90 ASP 7 OD2 -0.0048 -0.0083 0.0224 91 ASP 7 H -0.0005 -0.0047 0.0144 92 ASP 7 HA -0.0024 0.0057 0.0126 93 ASP 7 HB3 -0.0039 -0.0005 0.0176 94 ASP 7 HB2 -0.0074 0.0041 0.0208 95 GLU 8 N -0.0079 0.0090 0.0192 96 GLU 8 CA -0.0099 0.0117 0.0210 97 GLU 8 C -0.0111 0.0080 0.0245 98 GLU 8 O -0.0116 0.0089 0.0248 99 GLU 8 CB -0.0128 0.0165 0.0232 100 GLU 8 CG -0.0144 0.0157 0.0260 101 GLU 8 CD -0.0123 0.0154 0.0230 102 GLU 8 OE1 -0.0109 0.0187 0.0194 103 GLU 8 OE2 -0.0120 0.0117 0.0241 104 GLU 8 H -0.0086 0.0101 0.0198 105 GLU 8 HA -0.0084 0.0132 0.0181 106 GLU 8 HB3 -0.0120 0.0200 0.0204 107 GLU 8 HB2 -0.0146 0.0177 0.0253 108 GLU 8 HG3 -0.0167 0.0190 0.0279 109 GLU 8 HG2 -0.0150 0.0121 0.0285 110 HIS 9 N -0.0133 0.0062 0.0309 111 HIS 9 CA -0.0141 0.0031 0.0343 112 HIS 9 C -0.0107 -0.0027 0.0325 113 HIS 9 O -0.0107 -0.0073 0.0355 114 HIS 9 CB -0.0175 0.0027 0.0403 115 HIS 9 CG -0.0208 0.0084 0.0420 116 HIS 9 ND1 -0.0223 0.0120 0.0422 117 HIS 9 CD2 -0.0232 0.0103 0.0449 118 HIS 9 CE1 -0.0254 0.0163 0.0444 119 HIS 9 NE2 -0.0260 0.0153 0.0461 120 HIS 9 H -0.0129 0.0055 0.0307 121 HIS 9 HA -0.0146 0.0055 0.0335 122 HIS 9 HB3 -0.0179 0.0002 0.0426 123 HIS 9 HB2 -0.0171 0.0003 0.0412 124 HIS 9 HD1 -0.0211 0.0111 0.0408 125 HIS 9 HD2 -0.0228 0.0078 0.0458 126 HIS 9 HE1 -0.0268 0.0198 0.0446 127 SER 10 N -0.0079 -0.0021 0.0274 128 SER 10 CA -0.0044 -0.0067 0.0246 129 SER 10 C -0.0039 -0.0057 0.0230 130 SER 10 O -0.0050 -0.0008 0.0216 131 SER 10 CB -0.0015 -0.0068 0.0198 132 SER 10 OG 0.0017 -0.0088 0.0157 133 SER 10 H -0.0081 0.0018 0.0251 134 SER 10 HA -0.0044 -0.0108 0.0273 135 SER 10 HB3 -0.0023 -0.0024 0.0182 136 SER 10 HB2 -0.0011 -0.0095 0.0209 137 SER 10 HG 0.0035 -0.0088 0.0127 138 SER 11 N -0.0022 -0.0018 0.0230 139 SER 11 CA -0.0023 -0.0023 0.0232 140 SER 11 C -0.0004 -0.0043 0.0184 141 SER 11 O -0.0003 -0.0068 0.0182 142 SER 11 CB -0.0038 -0.0059 0.0274 143 SER 11 OG -0.0036 -0.0107 0.0270 144 SER 11 H -0.0022 -0.0051 0.0230 145 SER 11 HA -0.0026 0.0015 0.0238 146 SER 11 HB3 -0.0052 -0.0041 0.0308 147 SER 11 HB2 -0.0038 -0.0066 0.0272 148 SER 11 HG -0.0024 -0.0123 0.0240 149 GLU 12 N 0.0011 -0.0031 0.0145 150 GLU 12 CA 0.0030 -0.0047 0.0096 151 GLU 12 C 0.0037 -0.0013 0.0077 152 GLU 12 O 0.0038 0.0034 0.0073 153 GLU 12 CB 0.0043 -0.0042 0.0062 154 GLU 12 CG 0.0063 -0.0053 0.0009 155 GLU 12 CD 0.0067 -0.0109 0.0002 156 GLU 12 OE1 0.0065 -0.0145 0.0009 157 GLU 12 OE2 0.0072 -0.0116 -0.0011 158 GLU 12 H 0.0009 -0.0010 0.0149 159 GLU 12 HA 0.0030 -0.0087 0.0097 160 GLU 12 HB3 0.0041 -0.0002 0.0065 161 GLU 12 HB2 0.0038 -0.0067 0.0076 162 GLU 12 HG3 0.0068 -0.0027 -0.0004 163 GLU 12 HG2 0.0071 -0.0046 -0.0012 164 SER 13 N 0.0067 -0.0021 -0.0007 165 SER 13 CA 0.0069 -0.0026 0.0014 166 SER 13 C 0.0065 -0.0024 0.0000 167 SER 13 O 0.0076 -0.0022 0.0013 168 SER 13 CB 0.0050 -0.0042 0.0036 169 SER 13 OG 0.0023 -0.0053 0.0024 170 SER 13 H 0.0049 -0.0029 -0.0013 171 SER 13 HA 0.0090 -0.0018 0.0025 172 SER 13 HB3 0.0051 -0.0044 0.0044 173 SER 13 HB2 0.0055 -0.0044 0.0055 174 SER 13 HG 0.0022 -0.0052 0.0017 175 ARG 14 N 0.0050 -0.0025 -0.0025 176 ARG 14 CA 0.0044 -0.0024 -0.0040 177 ARG 14 C 0.0067 -0.0008 -0.0053 178 ARG 14 O 0.0086 0.0003 -0.0059 179 ARG 14 CB 0.0020 -0.0031 -0.0063 180 ARG 14 CG -0.0004 -0.0046 -0.0051 181 ARG 14 CD -0.0029 -0.0057 -0.0061 182 ARG 14 NE -0.0053 -0.0071 -0.0053 183 ARG 14 CZ -0.0061 -0.0083 -0.0027 184 ARG 14 NH1 -0.0047 -0.0081 -0.0007 185 ARG 14 NH2 -0.0082 -0.0096 -0.0021 186 ARG 14 H 0.0043 -0.0026 -0.0035 187 ARG 14 HA 0.0039 -0.0032 -0.0023 188 ARG 14 HB3 0.0015 -0.0031 -0.0072 189 ARG 14 HB2 0.0025 -0.0023 -0.0081 190 ARG 14 HG3 -0.0007 -0.0046 -0.0059 191 ARG 14 HG2 -0.0001 -0.0051 -0.0028 192 ARG 14 HD3 -0.0027 -0.0058 -0.0052 193 ARG 14 HD2 -0.0031 -0.0051 -0.0085 194 ARG 14 HE -0.0063 -0.0073 -0.0069 195 ARG 14 HH12 -0.0053 -0.0090 0.0013 196 ARG 14 HH11 -0.0030 -0.0071 -0.0011 197 ARG 14 HH22 -0.0089 -0.0104 -0.0002 198 ARG 14 HH21 -0.0093 -0.0097 -0.0037 199 CYS 15 N 0.0061 -0.0002 -0.0070 200 CYS 15 CA 0.0062 0.0014 -0.0079 201 CYS 15 C 0.0062 0.0019 -0.0079 202 CYS 15 O 0.0061 0.0009 -0.0084 203 CYS 15 CB 0.0060 0.0013 -0.0097 204 CYS 15 SG 0.0061 0.0031 -0.0110 205 CYS 15 H 0.0060 -0.0011 -0.0076 206 CYS 15 HA 0.0063 0.0024 -0.0073 207 CYS 15 HB3 0.0059 0.0002 -0.0103 208 CYS 15 HB2 0.0060 0.0010 -0.0097 209 CYS 16 N 0.0063 0.0034 -0.0073 210 CYS 16 CA 0.0064 0.0039 -0.0069 211 CYS 16 C 0.0065 0.0058 -0.0071 212 CYS 16 O 0.0066 0.0068 -0.0069 213 CYS 16 CB 0.0065 0.0033 -0.0051 214 CYS 16 SG 0.0065 0.0034 -0.0047 215 CYS 16 H 0.0064 0.0042 -0.0071 216 CYS 16 HA 0.0063 0.0033 -0.0078 217 CYS 16 HB3 0.0066 0.0041 -0.0042 218 CYS 16 HB2 0.0064 0.0020 -0.0049 219 ARG 17 N 0.0063 0.0054 -0.0041 220 ARG 17 CA 0.0056 0.0070 -0.0040 221 ARG 17 C 0.0049 0.0074 -0.0021 222 ARG 17 O 0.0049 0.0064 -0.0009 223 ARG 17 CB 0.0059 0.0069 -0.0047 224 ARG 17 CG 0.0053 0.0086 -0.0049 225 ARG 17 CD 0.0055 0.0084 -0.0055 226 ARG 17 NE 0.0056 0.0073 -0.0043 227 ARG 17 CZ 0.0054 0.0076 -0.0042 228 ARG 17 NH1 0.0052 0.0088 -0.0051 229 ARG 17 NH2 0.0055 0.0065 -0.0031 230 ARG 17 H 0.0066 0.0043 -0.0039 231 ARG 17 HA 0.0055 0.0080 -0.0048 232 ARG 17 HB3 0.0060 0.0059 -0.0039 233 ARG 17 HB2 0.0064 0.0064 -0.0060 234 ARG 17 HG3 0.0052 0.0095 -0.0057 235 ARG 17 HG2 0.0047 0.0091 -0.0036 236 ARG 17 HD3 0.0061 0.0080 -0.0068 237 ARG 17 HD2 0.0051 0.0097 -0.0057 238 ARG 17 HE 0.0058 0.0064 -0.0036 239 ARG 17 HH12 0.0051 0.0090 -0.0049 240 ARG 17 HH11 0.0052 0.0096 -0.0059 241 ARG 17 HH22 0.0054 0.0067 -0.0029 242 ARG 17 HH21 0.0057 0.0055 -0.0024 243 TYR 18 N 0.0042 0.0090 -0.0019 244 TYR 18 CA 0.0035 0.0096 -0.0001 245 TYR 18 C 0.0029 0.0111 -0.0001 246 TYR 18 O 0.0030 0.0119 -0.0014 247 TYR 18 CB 0.0031 0.0103 0.0003 248 TYR 18 CG 0.0036 0.0089 0.0006 249 TYR 18 CD1 0.0042 0.0083 -0.0008 250 TYR 18 CD2 0.0033 0.0082 0.0023 251 TYR 18 CE1 0.0046 0.0070 -0.0006 252 TYR 18 CE2 0.0038 0.0069 0.0025 253 TYR 18 CZ 0.0044 0.0063 0.0011 254 TYR 18 OH 0.0048 0.0050 0.0013 255 TYR 18 H 0.0042 0.0097 -0.0029 256 TYR 18 HA 0.0036 0.0086 0.0008 257 TYR 18 HB3 0.0025 0.0110 0.0014 258 TYR 18 HB2 0.0031 0.0112 -0.0008 259 TYR 18 HD1 0.0044 0.0088 -0.0021 260 TYR 18 HD2 0.0028 0.0086 0.0034 261 TYR 18 HE1 0.0051 0.0065 -0.0017 262 TYR 18 HE2 0.0036 0.0064 0.0038 263 TYR 18 HH 0.0052 0.0048 0.0002 264 PRO 19 N 0.0058 0.0107 -0.0005 265 PRO 19 CA 0.0048 0.0104 -0.0001 266 PRO 19 C 0.0042 0.0093 -0.0008 267 PRO 19 O 0.0047 0.0089 -0.0018 268 PRO 19 CB 0.0055 0.0110 0.0001 269 PRO 19 CG 0.0067 0.0111 -0.0007 270 PRO 19 CD 0.0069 0.0112 -0.0009 271 PRO 19 HA 0.0042 0.0106 0.0007 272 PRO 19 HB3 0.0055 0.0117 0.0009 273 PRO 19 HB2 0.0050 0.0106 0.0000 274 PRO 19 HG3 0.0073 0.0118 -0.0004 275 PRO 19 HG2 0.0067 0.0105 -0.0014 276 PRO 19 HD2 0.0074 0.0108 -0.0017 277 PRO 19 HD3 0.0074 0.0119 -0.0003 278 LEU 20 N 0.0031 0.0090 -0.0003 279 LEU 20 CA 0.0024 0.0080 -0.0009 280 LEU 20 C 0.0013 0.0079 -0.0002 281 LEU 20 O 0.0006 0.0080 0.0006 282 LEU 20 CB 0.0020 0.0073 -0.0015 283 LEU 20 CG 0.0012 0.0062 -0.0020 284 LEU 20 CD1 0.0018 0.0058 -0.0030 285 LEU 20 CD2 0.0006 0.0056 -0.0023 286 LEU 20 H 0.0027 0.0094 0.0005 287 LEU 20 HA 0.0029 0.0078 -0.0015 288 LEU 20 HB3 0.0016 0.0075 -0.0009 289 LEU 20 HB2 0.0028 0.0073 -0.0021 290 LEU 20 HG 0.0005 0.0063 -0.0014 291 LEU 20 HD11 0.0012 0.0051 -0.0033 292 LEU 20 HD12 0.0021 0.0063 -0.0027 293 LEU 20 HD13 0.0025 0.0058 -0.0035 294 LEU 20 HD21 0.0000 0.0048 -0.0027 295 LEU 20 HD22 0.0013 0.0055 -0.0029 296 LEU 20 HD23 0.0002 0.0058 -0.0016 297 THR 21 N 0.0026 0.0052 -0.0025 298 THR 21 CA 0.0019 0.0042 -0.0018 299 THR 21 C 0.0014 0.0029 -0.0020 300 THR 21 O 0.0015 0.0025 -0.0032 301 THR 21 CB 0.0020 0.0040 -0.0024 302 THR 21 OG1 0.0025 0.0052 -0.0022 303 THR 21 CG2 0.0013 0.0030 -0.0018 304 THR 21 H 0.0029 0.0052 -0.0035 305 THR 21 HA 0.0018 0.0045 -0.0007 306 THR 21 HB 0.0022 0.0038 -0.0036 307 THR 21 HG1 0.0023 0.0055 -0.0012 308 THR 21 HG21 0.0014 0.0029 -0.0022 309 THR 21 HG22 0.0010 0.0021 -0.0020 310 THR 21 HG23 0.0011 0.0032 -0.0007 311 VAL 22 N 0.0008 0.0024 -0.0009 312 VAL 22 CA 0.0002 0.0011 -0.0009 313 VAL 22 C -0.0003 0.0001 -0.0008 314 VAL 22 O -0.0005 0.0003 0.0001 315 VAL 22 CB -0.0002 0.0010 0.0003 316 VAL 22 CG1 -0.0009 -0.0004 0.0004 317 VAL 22 CG2 0.0002 0.0018 0.0000 318 VAL 22 H 0.0007 0.0028 0.0000 319 VAL 22 HA 0.0003 0.0008 -0.0019 320 VAL 22 HB -0.0003 0.0015 0.0012 321 VAL 22 HG11 -0.0012 -0.0004 0.0013 322 VAL 22 HG12 -0.0012 -0.0009 0.0007 323 VAL 22 HG13 -0.0009 -0.0008 -0.0005 324 VAL 22 HG21 -0.0000 0.0018 0.0009 325 VAL 22 HG22 0.0003 0.0014 -0.0009 326 VAL 22 HG23 0.0007 0.0028 -0.0000 327 ASP 23 N -0.0020 -0.0003 -0.0002 328 ASP 23 CA -0.0021 -0.0012 -0.0004 329 ASP 23 C -0.0025 -0.0024 0.0001 330 ASP 23 O -0.0025 -0.0029 -0.0004 331 ASP 23 CB -0.0018 -0.0014 -0.0017 332 ASP 23 CG -0.0020 -0.0023 -0.0018 333 ASP 23 OD1 -0.0022 -0.0034 -0.0016 334 ASP 23 OD2 -0.0018 -0.0020 -0.0022 335 ASP 23 H -0.0019 -0.0004 -0.0007 336 ASP 23 HA -0.0022 -0.0010 0.0001 337 ASP 23 HB3 -0.0018 -0.0018 -0.0021 338 ASP 23 HB2 -0.0016 -0.0006 -0.0020 339 PHE 24 N -0.0028 -0.0027 0.0010 340 PHE 24 CA -0.0032 -0.0037 0.0016 341 PHE 24 C -0.0032 -0.0049 0.0009 342 PHE 24 O -0.0034 -0.0057 0.0010 343 PHE 24 CB -0.0035 -0.0038 0.0028 344 PHE 24 CG -0.0035 -0.0028 0.0036 345 PHE 24 CD1 -0.0035 -0.0026 0.0039 346 PHE 24 CD2 -0.0035 -0.0021 0.0041 347 PHE 24 CE1 -0.0035 -0.0017 0.0047 348 PHE 24 CE2 -0.0035 -0.0011 0.0049 349 PHE 24 CZ -0.0035 -0.0010 0.0052 350 PHE 24 H -0.0028 -0.0023 0.0014 351 PHE 24 HA -0.0032 -0.0036 0.0018 352 PHE 24 HB3 -0.0037 -0.0046 0.0032 353 PHE 24 HB2 -0.0035 -0.0038 0.0027 354 PHE 24 HD1 -0.0035 -0.0032 0.0035 355 PHE 24 HD2 -0.0034 -0.0022 0.0039 356 PHE 24 HE1 -0.0036 -0.0016 0.0049 357 PHE 24 HE2 -0.0035 -0.0006 0.0053 358 PHE 24 HZ -0.0035 -0.0003 0.0058 359 GLU 25 N -0.0035 -0.0052 0.0009 360 GLU 25 CA -0.0037 -0.0064 -0.0000 361 GLU 25 C -0.0035 -0.0064 -0.0013 362 GLU 25 O -0.0037 -0.0075 -0.0017 363 GLU 25 CB -0.0037 -0.0067 -0.0006 364 GLU 25 CG -0.0037 -0.0063 0.0004 365 GLU 25 CD -0.0037 -0.0066 -0.0003 366 GLU 25 OE1 -0.0034 -0.0058 -0.0012 367 GLU 25 OE2 -0.0040 -0.0076 0.0001 368 GLU 25 H -0.0033 -0.0045 0.0010 369 GLU 25 HA -0.0040 -0.0073 0.0006 370 GLU 25 HB3 -0.0039 -0.0077 -0.0010 371 GLU 25 HB2 -0.0034 -0.0061 -0.0015 372 GLU 25 HG3 -0.0035 -0.0052 0.0008 373 GLU 25 HG2 -0.0041 -0.0069 0.0014 374 ALA 26 N -0.0031 -0.0052 -0.0019 375 ALA 26 CA -0.0029 -0.0050 -0.0031 376 ALA 26 C -0.0030 -0.0052 -0.0026 377 ALA 26 O -0.0028 -0.0052 -0.0035 378 ALA 26 CB -0.0024 -0.0036 -0.0037 379 ALA 26 H -0.0029 -0.0044 -0.0014 380 ALA 26 HA -0.0030 -0.0058 -0.0039 381 ALA 26 HB1 -0.0022 -0.0035 -0.0046 382 ALA 26 HB2 -0.0023 -0.0035 -0.0040 383 ALA 26 HB3 -0.0023 -0.0028 -0.0029 384 PHE 27 N -0.0024 -0.0050 -0.0009 385 PHE 27 CA -0.0024 -0.0052 -0.0005 386 PHE 27 C -0.0028 -0.0064 -0.0004 387 PHE 27 O -0.0030 -0.0068 -0.0003 388 PHE 27 CB -0.0022 -0.0046 0.0005 389 PHE 27 CG -0.0018 -0.0034 0.0004 390 PHE 27 CD1 -0.0017 -0.0029 -0.0006 391 PHE 27 CD2 -0.0016 -0.0027 0.0013 392 PHE 27 CE1 -0.0013 -0.0018 -0.0007 393 PHE 27 CE2 -0.0012 -0.0016 0.0012 394 PHE 27 CZ -0.0011 -0.0011 0.0002 395 PHE 27 H -0.0024 -0.0050 -0.0003 396 PHE 27 HA -0.0024 -0.0049 -0.0012 397 PHE 27 HB3 -0.0023 -0.0048 0.0009 398 PHE 27 HB2 -0.0023 -0.0048 0.0012 399 PHE 27 HD1 -0.0019 -0.0034 -0.0014 400 PHE 27 HD2 -0.0017 -0.0030 0.0022 401 PHE 27 HE1 -0.0012 -0.0014 -0.0016 402 PHE 27 HE2 -0.0010 -0.0011 0.0020 403 PHE 27 HZ -0.0008 -0.0002 0.0001 404 GLY 28 N -0.0030 -0.0070 -0.0002 405 GLY 28 CA -0.0034 -0.0082 -0.0001 406 GLY 28 C -0.0035 -0.0086 0.0012 407 GLY 28 O -0.0038 -0.0095 0.0014 408 GLY 28 H -0.0029 -0.0067 -0.0002 409 GLY 28 HA3 -0.0035 -0.0085 -0.0005 410 GLY 28 HA2 -0.0036 -0.0086 -0.0005 411 TRP 29 N -0.0020 -0.0069 0.0047 412 TRP 29 CA -0.0021 -0.0070 0.0055 413 TRP 29 C -0.0022 -0.0072 0.0057 414 TRP 29 O -0.0022 -0.0068 0.0059 415 TRP 29 CB -0.0021 -0.0063 0.0059 416 TRP 29 CG -0.0020 -0.0061 0.0057 417 TRP 29 CD1 -0.0019 -0.0064 0.0052 418 TRP 29 CD2 -0.0019 -0.0054 0.0059 419 TRP 29 NE1 -0.0018 -0.0060 0.0052 420 TRP 29 CE2 -0.0018 -0.0054 0.0056 421 TRP 29 CE3 -0.0018 -0.0049 0.0064 422 TRP 29 CZ2 -0.0017 -0.0048 0.0058 423 TRP 29 CZ3 -0.0017 -0.0044 0.0066 424 TRP 29 CH2 -0.0016 -0.0043 0.0062 425 TRP 29 H -0.0018 -0.0064 0.0045 426 TRP 29 HA -0.0023 -0.0074 0.0056 427 TRP 29 HB3 -0.0022 -0.0064 0.0064 428 TRP 29 HB2 -0.0019 -0.0059 0.0058 429 TRP 29 HD1 -0.0020 -0.0069 0.0049 430 TRP 29 HE1 -0.0018 -0.0061 0.0049 431 TRP 29 HE3 -0.0019 -0.0049 0.0067 432 TRP 29 HZ2 -0.0016 -0.0048 0.0055 433 TRP 29 HZ3 -0.0017 -0.0040 0.0069 434 TRP 29 HH2 -0.0016 -0.0039 0.0064 435 ASP 30 N -0.0024 -0.0079 0.0057 436 ASP 30 CA -0.0025 -0.0082 0.0059 437 ASP 30 C -0.0026 -0.0081 0.0067 438 ASP 30 O -0.0027 -0.0082 0.0069 439 ASP 30 CB -0.0027 -0.0090 0.0056 440 ASP 30 CG -0.0028 -0.0094 0.0060 441 ASP 30 OD1 -0.0028 -0.0092 0.0060 442 ASP 30 OD2 -0.0030 -0.0100 0.0062 443 ASP 30 H -0.0025 -0.0082 0.0055 444 ASP 30 HA -0.0024 -0.0079 0.0056 445 ASP 30 HB3 -0.0026 -0.0090 0.0051 446 ASP 30 HB2 -0.0027 -0.0092 0.0058 447 TRP 31 N 0.0005 -0.0074 0.0117 448 TRP 31 CA 0.0001 -0.0072 0.0117 449 TRP 31 C -0.0010 -0.0067 0.0109 450 TRP 31 O -0.0014 -0.0065 0.0107 451 TRP 31 CB -0.0003 -0.0075 0.0129 452 TRP 31 CG -0.0011 -0.0075 0.0137 453 TRP 31 CD1 -0.0009 -0.0078 0.0143 454 TRP 31 CD2 -0.0024 -0.0071 0.0138 455 TRP 31 NE1 -0.0019 -0.0076 0.0149 456 TRP 31 CE2 -0.0029 -0.0072 0.0146 457 TRP 31 CE3 -0.0032 -0.0068 0.0134 458 TRP 31 CZ2 -0.0041 -0.0070 0.0149 459 TRP 31 CZ3 -0.0044 -0.0065 0.0137 460 TRP 31 CH2 -0.0049 -0.0066 0.0145 461 TRP 31 H 0.0002 -0.0075 0.0124 462 TRP 31 HA 0.0008 -0.0073 0.0113 463 TRP 31 HB3 0.0006 -0.0079 0.0134 464 TRP 31 HB2 -0.0006 -0.0074 0.0129 465 TRP 31 HD1 0.0000 -0.0081 0.0144 466 TRP 31 HE1 -0.0019 -0.0078 0.0154 467 TRP 31 HE3 -0.0028 -0.0067 0.0128 468 TRP 31 HZ2 -0.0044 -0.0070 0.0155 469 TRP 31 HZ3 -0.0050 -0.0062 0.0134 470 TRP 31 HH2 -0.0058 -0.0064 0.0147 471 ILE 32 N -0.0015 -0.0064 0.0105 472 ILE 32 CA -0.0024 -0.0058 0.0096 473 ILE 32 C -0.0018 -0.0056 0.0084 474 ILE 32 O -0.0013 -0.0057 0.0082 475 ILE 32 CB -0.0034 -0.0056 0.0099 476 ILE 32 CG1 -0.0043 -0.0057 0.0110 477 ILE 32 CG2 -0.0041 -0.0050 0.0088 478 ILE 32 CD1 -0.0050 -0.0056 0.0115 479 ILE 32 H -0.0013 -0.0066 0.0109 480 ILE 32 HA -0.0028 -0.0057 0.0097 481 ILE 32 HB -0.0031 -0.0058 0.0101 482 ILE 32 HG13 -0.0038 -0.0060 0.0116 483 ILE 32 HG12 -0.0049 -0.0054 0.0107 484 ILE 32 HG21 -0.0049 -0.0049 0.0090 485 ILE 32 HG22 -0.0035 -0.0050 0.0080 486 ILE 32 HG23 -0.0045 -0.0049 0.0086 487 ILE 32 HD11 -0.0056 -0.0057 0.0123 488 ILE 32 HD12 -0.0044 -0.0059 0.0119 489 ILE 32 HD13 -0.0056 -0.0052 0.0109 490 ILE 33 N -0.0025 -0.0045 0.0093 491 ILE 33 CA -0.0020 -0.0042 0.0082 492 ILE 33 C -0.0030 -0.0043 0.0075 493 ILE 33 O -0.0028 -0.0043 0.0073 494 ILE 33 CB -0.0014 -0.0040 0.0072 495 ILE 33 CG1 -0.0003 -0.0039 0.0078 496 ILE 33 CG2 -0.0009 -0.0038 0.0060 497 ILE 33 CD1 0.0001 -0.0038 0.0070 498 ILE 33 H -0.0028 -0.0045 0.0091 499 ILE 33 HA -0.0012 -0.0042 0.0086 500 ILE 33 HB -0.0022 -0.0041 0.0068 501 ILE 33 HG13 -0.0006 -0.0041 0.0088 502 ILE 33 HG12 0.0006 -0.0038 0.0080 503 ILE 33 HG21 -0.0005 -0.0037 0.0053 504 ILE 33 HG22 -0.0017 -0.0039 0.0055 505 ILE 33 HG23 -0.0002 -0.0037 0.0063 506 ILE 33 HD11 0.0009 -0.0037 0.0076 507 ILE 33 HD12 -0.0008 -0.0039 0.0069 508 ILE 33 HD13 0.0004 -0.0036 0.0061 509 ALA 34 N -0.0042 -0.0045 0.0073 510 ALA 34 CA -0.0053 -0.0046 0.0067 511 ALA 34 C -0.0066 -0.0048 0.0070 512 ALA 34 O -0.0067 -0.0048 0.0072 513 ALA 34 CB -0.0052 -0.0044 0.0052 514 ALA 34 H -0.0043 -0.0045 0.0075 515 ALA 34 HA -0.0053 -0.0046 0.0071 516 ALA 34 HB1 -0.0060 -0.0044 0.0047 517 ALA 34 HB2 -0.0042 -0.0042 0.0049 518 ALA 34 HB3 -0.0051 -0.0043 0.0048 519 PRO 35 N -0.0055 -0.0021 0.0062 520 PRO 35 CA -0.0050 -0.0019 0.0053 521 PRO 35 C -0.0048 -0.0025 0.0047 522 PRO 35 O -0.0050 -0.0030 0.0050 523 PRO 35 CB -0.0049 -0.0009 0.0052 524 PRO 35 CG -0.0052 -0.0008 0.0059 525 PRO 35 CD -0.0056 -0.0014 0.0066 526 PRO 35 HA -0.0050 -0.0020 0.0052 527 PRO 35 HB3 -0.0050 -0.0005 0.0054 528 PRO 35 HB2 -0.0046 -0.0008 0.0046 529 PRO 35 HG3 -0.0053 -0.0001 0.0061 530 PRO 35 HG2 -0.0051 -0.0011 0.0056 531 PRO 35 HD2 -0.0058 -0.0018 0.0068 532 PRO 35 HD3 -0.0058 -0.0010 0.0071 533 LYS 36 N -0.0044 -0.0026 0.0039 534 LYS 36 CA -0.0041 -0.0032 0.0033 535 LYS 36 C -0.0040 -0.0027 0.0031 536 LYS 36 O -0.0039 -0.0031 0.0028 537 LYS 36 CB -0.0038 -0.0034 0.0026 538 LYS 36 CG -0.0039 -0.0039 0.0027 539 LYS 36 CD -0.0041 -0.0048 0.0030 540 LYS 36 CE -0.0042 -0.0054 0.0032 541 LYS 36 NZ -0.0045 -0.0062 0.0037 542 LYS 36 H -0.0043 -0.0022 0.0037 543 LYS 36 HA -0.0043 -0.0038 0.0036 544 LYS 36 HB3 -0.0036 -0.0038 0.0021 545 LYS 36 HB2 -0.0036 -0.0027 0.0023 546 LYS 36 HG3 -0.0036 -0.0039 0.0022 547 LYS 36 HG2 -0.0041 -0.0035 0.0033 548 LYS 36 HD3 -0.0043 -0.0048 0.0035 549 LYS 36 HD2 -0.0039 -0.0052 0.0025 550 LYS 36 HE3 -0.0039 -0.0056 0.0026 551 LYS 36 HE2 -0.0044 -0.0049 0.0035 552 LYS 36 HZ1 -0.0047 -0.0060 0.0042 553 LYS 36 HZ2 -0.0046 -0.0065 0.0038 554 LYS 36 HZ3 -0.0044 -0.0066 0.0033 555 ARG 37 N -0.0035 -0.0006 0.0017 556 ARG 37 CA -0.0025 -0.0001 0.0010 557 ARG 37 C -0.0018 0.0008 0.0019 558 ARG 37 O -0.0020 0.0011 0.0031 559 ARG 37 CB -0.0019 0.0001 0.0001 560 ARG 37 CG -0.0012 0.0008 0.0007 561 ARG 37 CD -0.0006 0.0009 -0.0003 562 ARG 37 NE -0.0013 0.0000 -0.0012 563 ARG 37 CZ -0.0021 -0.0005 -0.0008 564 ARG 37 NH1 -0.0023 -0.0002 0.0003 565 ARG 37 NH2 -0.0027 -0.0012 -0.0017 566 ARG 37 H -0.0036 -0.0003 0.0026 567 ARG 37 HA -0.0026 -0.0004 0.0004 568 ARG 37 HB3 -0.0024 -0.0006 -0.0004 569 ARG 37 HB2 -0.0013 0.0002 -0.0008 570 ARG 37 HG3 -0.0006 0.0014 0.0012 571 ARG 37 HG2 -0.0018 0.0007 0.0015 572 ARG 37 HD3 0.0002 0.0013 -0.0008 573 ARG 37 HD2 -0.0003 0.0013 0.0002 574 ARG 37 HE -0.0011 -0.0002 -0.0021 575 ARG 37 HH12 -0.0029 -0.0006 0.0006 576 ARG 37 HH11 -0.0019 0.0004 0.0010 577 ARG 37 HH22 -0.0033 -0.0016 -0.0015 578 ARG 37 HH21 -0.0025 -0.0014 -0.0026 579 TYR 38 N -0.0009 0.0013 0.0014 580 TYR 38 CA -0.0002 0.0021 0.0023 581 TYR 38 C 0.0009 0.0027 0.0014 582 TYR 38 O 0.0010 0.0023 0.0002 583 TYR 38 CB -0.0008 0.0020 0.0031 584 TYR 38 CG -0.0008 0.0018 0.0025 585 TYR 38 CD1 -0.0015 0.0009 0.0016 586 TYR 38 CD2 -0.0001 0.0024 0.0028 587 TYR 38 CE1 -0.0014 0.0008 0.0011 588 TYR 38 CE2 -0.0001 0.0023 0.0023 589 TYR 38 CZ -0.0007 0.0014 0.0014 590 TYR 38 OH -0.0007 0.0013 0.0008 591 TYR 38 H -0.0008 0.0011 0.0005 592 TYR 38 HA -0.0000 0.0025 0.0029 593 TYR 38 HB3 -0.0017 0.0015 0.0035 594 TYR 38 HB2 -0.0005 0.0026 0.0040 595 TYR 38 HD1 -0.0020 0.0004 0.0014 596 TYR 38 HD2 0.0004 0.0031 0.0035 597 TYR 38 HE1 -0.0020 0.0001 0.0004 598 TYR 38 HE2 0.0005 0.0028 0.0025 599 TYR 38 HH -0.0002 0.0018 0.0012 600 LYS 39 N 0.0014 0.0059 0.0012 601 LYS 39 CA 0.0025 0.0062 0.0006 602 LYS 39 C 0.0022 0.0059 0.0005 603 LYS 39 O 0.0020 0.0064 0.0013 604 LYS 39 CB 0.0035 0.0072 0.0012 605 LYS 39 CG 0.0040 0.0075 0.0012 606 LYS 39 CD 0.0050 0.0085 0.0018 607 LYS 39 CE 0.0045 0.0090 0.0030 608 LYS 39 NZ 0.0035 0.0090 0.0039 609 LYS 39 H 0.0012 0.0064 0.0021 610 LYS 39 HA 0.0029 0.0058 -0.0003 611 LYS 39 HB3 0.0043 0.0074 0.0008 612 LYS 39 HB2 0.0031 0.0076 0.0021 613 LYS 39 HG3 0.0032 0.0073 0.0016 614 LYS 39 HG2 0.0044 0.0071 0.0003 615 LYS 39 HD3 0.0058 0.0086 0.0013 616 LYS 39 HD2 0.0053 0.0088 0.0020 617 LYS 39 HE3 0.0041 0.0087 0.0029 618 LYS 39 HE2 0.0052 0.0097 0.0034 619 LYS 39 HZ1 0.0029 0.0084 0.0036 620 LYS 39 HZ2 0.0039 0.0095 0.0043 621 LYS 39 HZ3 0.0031 0.0092 0.0046 622 ALA 40 N 0.0022 0.0052 -0.0006 623 ALA 40 CA 0.0020 0.0048 -0.0008 624 ALA 40 C 0.0031 0.0053 -0.0012 625 ALA 40 O 0.0031 0.0055 -0.0009 626 ALA 40 CB 0.0013 0.0038 -0.0018 627 ALA 40 H 0.0024 0.0048 -0.0013 628 ALA 40 HA 0.0014 0.0050 -0.0000 629 ALA 40 HB1 0.0011 0.0035 -0.0019 630 ALA 40 HB2 0.0004 0.0035 -0.0014 631 ALA 40 HB3 0.0018 0.0036 -0.0026 632 ASN 41 N 0.0028 0.0078 -0.0025 633 ASN 41 CA 0.0030 0.0077 -0.0026 634 ASN 41 C 0.0033 0.0081 -0.0031 635 ASN 41 O 0.0033 0.0086 -0.0035 636 ASN 41 CB 0.0036 0.0071 -0.0025 637 ASN 41 CG 0.0034 0.0066 -0.0020 638 ASN 41 OD1 0.0030 0.0064 -0.0016 639 ASN 41 ND2 0.0037 0.0064 -0.0021 640 ASN 41 H 0.0023 0.0079 -0.0023 641 ASN 41 HA 0.0027 0.0076 -0.0023 642 ASN 41 HB3 0.0037 0.0069 -0.0025 643 ASN 41 HB2 0.0039 0.0071 -0.0029 644 ASN 41 HD22 0.0036 0.0060 -0.0018 645 ASN 41 HD21 0.0040 0.0065 -0.0025 646 TYR 42 N 0.0034 0.0081 -0.0032 647 TYR 42 CA 0.0037 0.0085 -0.0037 648 TYR 42 C 0.0040 0.0082 -0.0037 649 TYR 42 O 0.0040 0.0077 -0.0034 650 TYR 42 CB 0.0032 0.0091 -0.0038 651 TYR 42 CG 0.0028 0.0090 -0.0034 652 TYR 42 CD1 0.0023 0.0087 -0.0029 653 TYR 42 CD2 0.0028 0.0092 -0.0036 654 TYR 42 CE1 0.0019 0.0087 -0.0026 655 TYR 42 CE2 0.0024 0.0091 -0.0033 656 TYR 42 CZ 0.0020 0.0089 -0.0027 657 TYR 42 OH 0.0016 0.0088 -0.0024 658 TYR 42 H 0.0034 0.0077 -0.0029 659 TYR 42 HA 0.0040 0.0086 -0.0040 660 TYR 42 HB3 0.0029 0.0093 -0.0037 661 TYR 42 HB2 0.0034 0.0094 -0.0042 662 TYR 42 HD1 0.0023 0.0086 -0.0027 663 TYR 42 HD2 0.0031 0.0094 -0.0040 664 TYR 42 HE1 0.0016 0.0085 -0.0022 665 TYR 42 HE2 0.0025 0.0093 -0.0034 666 TYR 42 HH 0.0016 0.0091 -0.0026 667 CYS 43 N 0.0051 0.0079 -0.0061 668 CYS 43 CA 0.0057 0.0071 -0.0063 669 CYS 43 C 0.0057 0.0071 -0.0062 670 CYS 43 O 0.0053 0.0079 -0.0066 671 CYS 43 CB 0.0063 0.0069 -0.0074 672 CYS 43 SG 0.0064 0.0068 -0.0075 673 CYS 43 H 0.0049 0.0085 -0.0067 674 CYS 43 HA 0.0059 0.0065 -0.0056 675 CYS 43 HB3 0.0068 0.0062 -0.0075 676 CYS 43 HB2 0.0061 0.0075 -0.0080 677 SER 44 N 0.0060 0.0064 -0.0057 678 SER 44 CA 0.0061 0.0063 -0.0056 679 SER 44 C 0.0067 0.0053 -0.0054 680 SER 44 O 0.0069 0.0047 -0.0048 681 SER 44 CB 0.0054 0.0068 -0.0047 682 SER 44 OG 0.0054 0.0067 -0.0046 683 SER 44 H 0.0063 0.0058 -0.0054 684 SER 44 HA 0.0061 0.0067 -0.0064 685 SER 44 HB3 0.0053 0.0065 -0.0039 686 SER 44 HB2 0.0049 0.0076 -0.0049 687 SER 44 HG 0.0051 0.0073 -0.0050 688 GLY 45 N 0.0092 0.0044 -0.0038 689 GLY 45 CA 0.0079 0.0026 -0.0034 690 GLY 45 C 0.0063 0.0007 -0.0032 691 GLY 45 O 0.0061 0.0009 -0.0036 692 GLY 45 H 0.0096 0.0041 -0.0030 693 GLY 45 HA3 0.0072 0.0030 -0.0047 694 GLY 45 HA2 0.0087 0.0022 -0.0019 695 GLN 46 N 0.0052 -0.0010 -0.0025 696 GLN 46 CA 0.0038 -0.0029 -0.0022 697 GLN 46 C 0.0019 -0.0031 -0.0043 698 GLN 46 O 0.0014 -0.0023 -0.0059 699 GLN 46 CB 0.0033 -0.0047 -0.0006 700 GLN 46 CG 0.0051 -0.0047 0.0016 701 GLN 46 CD 0.0061 -0.0046 0.0028 702 GLN 46 OE1 0.0052 -0.0060 0.0033 703 GLN 46 NE2 0.0079 -0.0030 0.0032 704 GLN 46 H 0.0054 -0.0010 -0.0023 705 GLN 46 HA 0.0043 -0.0029 -0.0014 706 GLN 46 HB3 0.0022 -0.0061 -0.0003 707 GLN 46 HB2 0.0026 -0.0048 -0.0014 708 GLN 46 HG3 0.0046 -0.0060 0.0026 709 GLN 46 HG2 0.0061 -0.0034 0.0013 710 GLN 46 HE22 0.0086 -0.0029 0.0040 711 GLN 46 HE21 0.0085 -0.0019 0.0027 712 CYS 47 N 0.0016 -0.0020 -0.0002 713 CYS 47 CA -0.0009 -0.0026 -0.0024 714 CYS 47 C -0.0037 -0.0047 -0.0003 715 CYS 47 O -0.0036 -0.0053 0.0016 716 CYS 47 CB 0.0006 -0.0014 -0.0036 717 CYS 47 SG 0.0033 0.0011 -0.0069 718 CYS 47 H 0.0025 -0.0023 0.0021 719 CYS 47 HA -0.0019 -0.0023 -0.0047 720 CYS 47 HB3 -0.0014 -0.0021 -0.0047 721 CYS 47 HB2 0.0019 -0.0014 -0.0013 722 GLU 48 N -0.0061 -0.0059 -0.0005 723 GLU 48 CA -0.0088 -0.0079 0.0014 724 GLU 48 C -0.0119 -0.0087 -0.0012 725 GLU 48 O -0.0120 -0.0078 -0.0043 726 GLU 48 CB -0.0093 -0.0089 0.0036 727 GLU 48 CG -0.0067 -0.0086 0.0067 728 GLU 48 CD -0.0064 -0.0087 0.0076 729 GLU 48 OE1 -0.0087 -0.0095 0.0063 730 GLU 48 OE2 -0.0040 -0.0081 0.0097 731 GLU 48 H -0.0060 -0.0053 -0.0021 732 GLU 48 HA -0.0084 -0.0083 0.0032 733 GLU 48 HB3 -0.0117 -0.0105 0.0045 734 GLU 48 HB2 -0.0096 -0.0085 0.0018 735 GLU 48 HG3 -0.0043 -0.0071 0.0061 736 GLU 48 HG2 -0.0072 -0.0096 0.0089 737 TYR 49 N -0.0165 -0.0067 0.0075 738 TYR 49 CA -0.0206 -0.0081 0.0048 739 TYR 49 C -0.0182 -0.0077 0.0005 740 TYR 49 O -0.0147 -0.0065 0.0015 741 TYR 49 CB -0.0244 -0.0094 0.0025 742 TYR 49 CG -0.0293 -0.0110 0.0003 743 TYR 49 CD1 -0.0326 -0.0118 0.0034 744 TYR 49 CD2 -0.0307 -0.0118 -0.0050 745 TYR 49 CE1 -0.0371 -0.0133 0.0014 746 TYR 49 CE2 -0.0352 -0.0132 -0.0070 747 TYR 49 CZ -0.0384 -0.0140 -0.0038 748 TYR 49 OH -0.0429 -0.0155 -0.0058 749 TYR 49 H -0.0162 -0.0063 0.0114 750 TYR 49 HA -0.0226 -0.0085 0.0077 751 TYR 49 HB3 -0.0224 -0.0090 -0.0006 752 TYR 49 HB2 -0.0253 -0.0094 0.0055 753 TYR 49 HD1 -0.0317 -0.0112 0.0075 754 TYR 49 HD2 -0.0282 -0.0112 -0.0075 755 TYR 49 HE1 -0.0397 -0.0138 0.0039 756 TYR 49 HE2 -0.0361 -0.0138 -0.0111 757 TYR 49 HH -0.0447 -0.0158 -0.0030 758 MET 50 N -0.0201 -0.0086 -0.0044 759 MET 50 CA -0.0183 -0.0083 -0.0089 760 MET 50 C -0.0159 -0.0079 -0.0132 761 MET 50 O -0.0147 -0.0079 -0.0176 762 MET 50 CB -0.0227 -0.0098 -0.0113 763 MET 50 CG -0.0257 -0.0104 -0.0073 764 MET 50 SD -0.0310 -0.0122 -0.0104 765 MET 50 CE -0.0276 -0.0115 -0.0149 766 MET 50 H -0.0229 -0.0094 -0.0051 767 MET 50 HA -0.0154 -0.0074 -0.0075 768 MET 50 HB3 -0.0212 -0.0096 -0.0145 769 MET 50 HB2 -0.0253 -0.0107 -0.0132 770 MET 50 HG3 -0.0271 -0.0106 -0.0040 771 MET 50 HG2 -0.0231 -0.0095 -0.0057 772 MET 50 HE1 -0.0303 -0.0125 -0.0171 773 MET 50 HE2 -0.0253 -0.0110 -0.0176 774 MET 50 HE3 -0.0252 -0.0106 -0.0127 775 PHE 51 N -0.0133 -0.0064 -0.0078 776 PHE 51 CA -0.0118 -0.0054 -0.0101 777 PHE 51 C -0.0085 -0.0038 -0.0117 778 PHE 51 O -0.0065 -0.0031 -0.0099 779 PHE 51 CB -0.0112 -0.0054 -0.0079 780 PHE 51 CG -0.0143 -0.0069 -0.0064 781 PHE 51 CD1 -0.0173 -0.0079 -0.0087 782 PHE 51 CD2 -0.0144 -0.0074 -0.0028 783 PHE 51 CE1 -0.0202 -0.0093 -0.0074 784 PHE 51 CE2 -0.0173 -0.0088 -0.0015 785 PHE 51 CZ -0.0202 -0.0098 -0.0037 786 PHE 51 H -0.0136 -0.0068 -0.0051 787 PHE 51 HA -0.0136 -0.0060 -0.0124 788 PHE 51 HB3 -0.0099 -0.0047 -0.0097 789 PHE 51 HB2 -0.0093 -0.0049 -0.0056 790 PHE 51 HD1 -0.0173 -0.0076 -0.0115 791 PHE 51 HD2 -0.0121 -0.0066 -0.0010 792 PHE 51 HE1 -0.0224 -0.0101 -0.0091 793 PHE 51 HE2 -0.0173 -0.0091 0.0014 794 PHE 51 HZ -0.0225 -0.0109 -0.0027 795 MET 52 N -0.0080 -0.0032 -0.0152 796 MET 52 CA -0.0048 -0.0016 -0.0170 797 MET 52 C -0.0037 -0.0012 -0.0171 798 MET 52 O -0.0007 0.0001 -0.0170 799 MET 52 CB -0.0019 -0.0006 -0.0151 800 MET 52 CG -0.0028 -0.0011 -0.0141 801 MET 52 SD -0.0039 -0.0011 -0.0182 802 MET 52 CE 0.0002 0.0009 -0.0200 803 MET 52 H -0.0099 -0.0039 -0.0167 804 MET 52 HA -0.0051 -0.0015 -0.0198 805 MET 52 HB3 0.0003 0.0006 -0.0168 806 MET 52 HB2 -0.0010 -0.0005 -0.0126 807 MET 52 HG3 -0.0006 -0.0003 -0.0127 808 MET 52 HG2 -0.0049 -0.0022 -0.0123 809 MET 52 HE1 -0.0000 0.0010 -0.0226 810 MET 52 HE2 0.0019 0.0014 -0.0180 811 MET 52 HE3 0.0013 0.0014 -0.0206 812 GLN 53 N -0.0051 0.0016 -0.0173 813 GLN 53 CA -0.0049 0.0012 -0.0158 814 GLN 53 C -0.0055 0.0017 -0.0172 815 GLN 53 O -0.0070 0.0024 -0.0185 816 GLN 53 CB -0.0064 0.0011 -0.0136 817 GLN 53 CG -0.0055 0.0005 -0.0120 818 GLN 53 CD -0.0071 0.0003 -0.0098 819 GLN 53 OE1 -0.0084 0.0005 -0.0091 820 GLN 53 NE2 -0.0069 0.0000 -0.0087 821 GLN 53 H -0.0067 0.0021 -0.0176 822 GLN 53 HA -0.0031 0.0006 -0.0154 823 GLN 53 HB3 -0.0066 0.0009 -0.0127 824 GLN 53 HB2 -0.0082 0.0016 -0.0141 825 GLN 53 HG3 -0.0053 0.0006 -0.0128 826 GLN 53 HG2 -0.0038 -0.0001 -0.0115 827 GLN 53 HE22 -0.0079 -0.0001 -0.0072 828 GLN 53 HE21 -0.0058 -0.0001 -0.0093 829 LYS 54 N -0.0042 0.0012 -0.0168 830 LYS 54 CA -0.0044 0.0016 -0.0181 831 LYS 54 C -0.0056 0.0016 -0.0165 832 LYS 54 O -0.0073 0.0021 -0.0172 833 LYS 54 CB -0.0020 0.0012 -0.0190 834 LYS 54 CG -0.0019 0.0014 -0.0198 835 LYS 54 CD 0.0006 0.0009 -0.0206 836 LYS 54 CE 0.0008 0.0012 -0.0219 837 LYS 54 NZ 0.0032 0.0006 -0.0221 838 LYS 54 H -0.0030 0.0007 -0.0156 839 LYS 54 HA -0.0054 0.0022 -0.0195 840 LYS 54 HB3 -0.0008 0.0006 -0.0176 841 LYS 54 HB2 -0.0013 0.0014 -0.0203 842 LYS 54 HG3 -0.0030 0.0020 -0.0213 843 LYS 54 HG2 -0.0025 0.0012 -0.0184 844 LYS 54 HD3 0.0016 0.0003 -0.0190 845 LYS 54 HD2 0.0014 0.0010 -0.0216 846 LYS 54 HE3 0.0002 0.0018 -0.0237 847 LYS 54 HE2 -0.0003 0.0013 -0.0211 848 LYS 54 HZ1 0.0043 0.0004 -0.0224 849 LYS 54 HZ2 0.0036 0.0002 -0.0206 850 LYS 54 HZ3 0.0034 0.0009 -0.0234 851 TYR 55 N -0.0018 0.0068 -0.0120 852 TYR 55 CA -0.0029 0.0067 -0.0095 853 TYR 55 C -0.0033 0.0075 -0.0092 854 TYR 55 O -0.0025 0.0068 -0.0104 855 TYR 55 CB -0.0027 0.0041 -0.0083 856 TYR 55 CG -0.0026 0.0034 -0.0082 857 TYR 55 CD1 -0.0034 0.0050 -0.0075 858 TYR 55 CD2 -0.0016 0.0011 -0.0089 859 TYR 55 CE1 -0.0033 0.0044 -0.0074 860 TYR 55 CE2 -0.0015 0.0005 -0.0088 861 TYR 55 CZ -0.0023 0.0022 -0.0080 862 TYR 55 OH -0.0022 0.0016 -0.0079 863 TYR 55 H -0.0009 0.0055 -0.0129 864 TYR 55 HA -0.0037 0.0080 -0.0087 865 TYR 55 HB3 -0.0035 0.0038 -0.0066 866 TYR 55 HB2 -0.0019 0.0027 -0.0093 867 TYR 55 HD1 -0.0041 0.0068 -0.0070 868 TYR 55 HD2 -0.0010 -0.0002 -0.0094 869 TYR 55 HE1 -0.0039 0.0058 -0.0068 870 TYR 55 HE2 -0.0008 -0.0013 -0.0092 871 TYR 55 HH -0.0030 0.0027 -0.0070 872 PRO 56 N -0.0045 0.0089 -0.0074 873 PRO 56 CA -0.0051 0.0098 -0.0069 874 PRO 56 C -0.0049 0.0077 -0.0061 875 PRO 56 O -0.0049 0.0082 -0.0062 876 PRO 56 CB -0.0065 0.0114 -0.0049 877 PRO 56 CG -0.0067 0.0104 -0.0039 878 PRO 56 CD -0.0055 0.0096 -0.0058 879 PRO 56 HA -0.0047 0.0110 -0.0084 880 PRO 56 HB3 -0.0067 0.0134 -0.0057 881 PRO 56 HB2 -0.0070 0.0112 -0.0036 882 PRO 56 HG3 -0.0075 0.0119 -0.0031 883 PRO 56 HG2 -0.0068 0.0088 -0.0026 884 PRO 56 HD2 -0.0054 0.0080 -0.0052 885 PRO 56 HD3 -0.0056 0.0112 -0.0067 886 HIS 57 N -0.0054 0.0037 -0.0047 887 HIS 57 CA -0.0051 0.0030 -0.0039 888 HIS 57 C -0.0047 0.0028 -0.0043 889 HIS 57 O -0.0048 0.0026 -0.0036 890 HIS 57 CB -0.0045 0.0022 -0.0036 891 HIS 57 CG -0.0041 0.0014 -0.0028 892 HIS 57 ND1 -0.0035 0.0008 -0.0030 893 HIS 57 CD2 -0.0044 0.0012 -0.0016 894 HIS 57 CE1 -0.0034 0.0002 -0.0021 895 HIS 57 NE2 -0.0039 0.0005 -0.0013 896 HIS 57 H -0.0051 0.0036 -0.0050 897 HIS 57 HA -0.0056 0.0032 -0.0031 898 HIS 57 HB3 -0.0040 0.0019 -0.0043 899 HIS 57 HB2 -0.0047 0.0023 -0.0033 900 HIS 57 HD2 -0.0049 0.0016 -0.0012 901 HIS 57 HE1 -0.0029 -0.0003 -0.0021 902 HIS 57 HE2 -0.0040 0.0002 -0.0004 903 THR 58 N -0.0043 0.0028 -0.0053 904 THR 58 CA -0.0039 0.0026 -0.0058 905 THR 58 C -0.0046 0.0032 -0.0057 906 THR 58 O -0.0044 0.0029 -0.0053 907 THR 58 CB -0.0035 0.0027 -0.0071 908 THR 58 OG1 -0.0030 0.0022 -0.0073 909 THR 58 CG2 -0.0031 0.0025 -0.0076 910 THR 58 H -0.0042 0.0029 -0.0058 911 THR 58 HA -0.0035 0.0019 -0.0055 912 THR 58 HB -0.0040 0.0034 -0.0075 913 THR 58 HG1 -0.0024 0.0016 -0.0073 914 THR 58 HG21 -0.0029 0.0026 -0.0085 915 THR 58 HG22 -0.0036 0.0030 -0.0075 916 THR 58 HG23 -0.0027 0.0018 -0.0072 917 HIS 59 N -0.0074 0.0015 -0.0020 918 HIS 59 CA -0.0081 0.0020 -0.0018 919 HIS 59 C -0.0079 0.0026 -0.0010 920 HIS 59 O -0.0084 0.0032 -0.0006 921 HIS 59 CB -0.0086 0.0019 -0.0022 922 HIS 59 CG -0.0093 0.0024 -0.0020 923 HIS 59 ND1 -0.0094 0.0028 -0.0017 924 HIS 59 CD2 -0.0101 0.0027 -0.0021 925 HIS 59 CE1 -0.0103 0.0032 -0.0016 926 HIS 59 NE2 -0.0106 0.0032 -0.0019 927 HIS 59 H -0.0072 0.0011 -0.0024 928 HIS 59 HA -0.0086 0.0021 -0.0019 929 HIS 59 HB3 -0.0081 0.0017 -0.0022 930 HIS 59 HB2 -0.0088 0.0015 -0.0028 931 HIS 59 HD2 -0.0102 0.0025 -0.0024 932 HIS 59 HE1 -0.0105 0.0036 -0.0014 933 HIS 59 HE2 -0.0113 0.0034 -0.0020 934 LEU 60 N -0.0071 0.0025 -0.0007 935 LEU 60 CA -0.0069 0.0030 0.0001 936 LEU 60 C -0.0066 0.0033 0.0006 937 LEU 60 O -0.0068 0.0039 0.0012 938 LEU 60 CB -0.0061 0.0027 0.0002 939 LEU 60 CG -0.0063 0.0025 -0.0002 940 LEU 60 CD1 -0.0055 0.0021 -0.0002 941 LEU 60 CD2 -0.0068 0.0031 0.0002 942 LEU 60 H -0.0068 0.0020 -0.0010 943 LEU 60 HA -0.0074 0.0033 0.0002 944 LEU 60 HB3 -0.0058 0.0031 0.0008 945 LEU 60 HB2 -0.0056 0.0023 0.0000 946 LEU 60 HG -0.0067 0.0022 -0.0007 947 LEU 60 HD11 -0.0057 0.0019 -0.0004 948 LEU 60 HD12 -0.0052 0.0016 -0.0005 949 LEU 60 HD13 -0.0051 0.0023 0.0004 950 LEU 60 HD21 -0.0070 0.0029 -0.0000 951 LEU 60 HD22 -0.0064 0.0034 0.0008 952 LEU 60 HD23 -0.0074 0.0034 0.0002 953 VAL 61 N -0.0067 0.0010 -0.0020 954 VAL 61 CA -0.0066 0.0014 -0.0016 955 VAL 61 C -0.0073 0.0016 -0.0013 956 VAL 61 O -0.0074 0.0021 -0.0008 957 VAL 61 CB -0.0062 0.0013 -0.0017 958 VAL 61 CG1 -0.0062 0.0017 -0.0013 959 VAL 61 CG2 -0.0054 0.0012 -0.0019 960 VAL 61 H -0.0066 0.0006 -0.0024 961 VAL 61 HA -0.0063 0.0017 -0.0013 962 VAL 61 HB -0.0064 0.0010 -0.0021 963 VAL 61 HG11 -0.0058 0.0016 -0.0014 964 VAL 61 HG12 -0.0067 0.0018 -0.0012 965 VAL 61 HG13 -0.0059 0.0021 -0.0009 966 VAL 61 HG21 -0.0051 0.0011 -0.0020 967 VAL 61 HG22 -0.0051 0.0015 -0.0016 968 VAL 61 HG23 -0.0054 0.0008 -0.0022 969 GLN 62 N -0.0078 0.0013 -0.0016 970 GLN 62 CA -0.0086 0.0015 -0.0014 971 GLN 62 C -0.0089 0.0018 -0.0011 972 GLN 62 O -0.0092 0.0021 -0.0006 973 GLN 62 CB -0.0091 0.0010 -0.0019 974 GLN 62 CG -0.0089 0.0008 -0.0021 975 GLN 62 CD -0.0094 0.0003 -0.0026 976 GLN 62 OE1 -0.0093 -0.0001 -0.0030 977 GLN 62 NE2 -0.0098 0.0002 -0.0026 978 GLN 62 H -0.0078 0.0009 -0.0020 979 GLN 62 HA -0.0085 0.0017 -0.0012 980 GLN 62 HB3 -0.0096 0.0011 -0.0017 981 GLN 62 HB2 -0.0090 0.0007 -0.0022 982 GLN 62 HG3 -0.0083 0.0007 -0.0022 983 GLN 62 HG2 -0.0091 0.0010 -0.0018 984 GLN 62 HE22 -0.0101 -0.0001 -0.0029 985 GLN 62 HE21 -0.0099 0.0005 -0.0023 986 GLN 63 N -0.0096 0.0029 -0.0005 987 GLN 63 CA -0.0093 0.0035 -0.0005 988 GLN 63 C -0.0091 0.0039 -0.0005 989 GLN 63 O -0.0092 0.0045 -0.0006 990 GLN 63 CB -0.0088 0.0034 -0.0002 991 GLN 63 CG -0.0090 0.0031 -0.0002 992 GLN 63 CD -0.0086 0.0032 -0.0000 993 GLN 63 OE1 -0.0081 0.0030 0.0002 994 GLN 63 NE2 -0.0087 0.0036 -0.0002 995 GLN 63 H -0.0094 0.0025 -0.0003 996 GLN 63 HA -0.0096 0.0037 -0.0007 997 GLN 63 HB3 -0.0086 0.0038 -0.0002 998 GLN 63 HB2 -0.0086 0.0031 -0.0000 999 GLN 63 HG3 -0.0091 0.0026 -0.0002 1000 GLN 63 HG2 -0.0094 0.0033 -0.0005 1001 GLN 63 HE22 -0.0084 0.0037 -0.0000 1002 GLN 63 HE21 -0.0091 0.0038 -0.0004 1003 ALA 64 N -0.0088 0.0037 -0.0003 1004 ALA 64 CA -0.0086 0.0041 -0.0002 1005 ALA 64 C -0.0090 0.0043 -0.0005 1006 ALA 64 O -0.0090 0.0048 -0.0006 1007 ALA 64 CB -0.0082 0.0037 0.0001 1008 ALA 64 H -0.0087 0.0032 -0.0001 1009 ALA 64 HA -0.0083 0.0045 -0.0002 1010 ALA 64 HB1 -0.0080 0.0040 0.0001 1011 ALA 64 HB2 -0.0078 0.0036 0.0003 1012 ALA 64 HB3 -0.0084 0.0033 0.0000 1013 ASN 65 N -0.0104 0.0034 0.0004 1014 ASN 65 CA -0.0094 0.0027 0.0004 1015 ASN 65 C -0.0086 0.0019 0.0021 1016 ASN 65 O -0.0088 0.0018 0.0031 1017 ASN 65 CB -0.0102 0.0033 0.0002 1018 ASN 65 CG -0.0093 0.0027 -0.0002 1019 ASN 65 OD1 -0.0099 0.0031 -0.0002 1020 ASN 65 ND2 -0.0079 0.0018 -0.0004 1021 ASN 65 H -0.0104 0.0035 -0.0008 1022 ASN 65 HA -0.0086 0.0023 -0.0007 1023 ASN 65 HB3 -0.0110 0.0036 0.0013 1024 ASN 65 HB2 -0.0109 0.0039 -0.0009 1025 ASN 65 HD22 -0.0073 0.0014 -0.0007 1026 ASN 65 HD21 -0.0075 0.0015 -0.0004 1027 PRO 66 N -0.0078 0.0013 0.0024 1028 PRO 66 CA -0.0071 0.0005 0.0040 1029 PRO 66 C -0.0057 -0.0004 0.0039 1030 PRO 66 O -0.0053 -0.0005 0.0025 1031 PRO 66 CB -0.0066 0.0002 0.0041 1032 PRO 66 CG -0.0064 0.0003 0.0023 1033 PRO 66 CD -0.0075 0.0012 0.0013 1034 PRO 66 HA -0.0078 0.0009 0.0051 1035 PRO 66 HB3 -0.0075 0.0007 0.0048 1036 PRO 66 HB2 -0.0056 -0.0006 0.0047 1037 PRO 66 HG3 -0.0066 0.0005 0.0022 1038 PRO 66 HG2 -0.0053 -0.0003 0.0018 1039 PRO 66 HD2 -0.0070 0.0011 0.0001 1040 PRO 66 HD3 -0.0085 0.0019 0.0013 1041 ARG 67 N -0.0065 -0.0066 0.0063 1042 ARG 67 CA -0.0040 -0.0070 0.0076 1043 ARG 67 C -0.0015 -0.0062 0.0060 1044 ARG 67 O -0.0011 -0.0057 0.0049 1045 ARG 67 CB -0.0037 -0.0079 0.0101 1046 ARG 67 CG -0.0008 -0.0082 0.0112 1047 ARG 67 CD 0.0002 -0.0086 0.0123 1048 ARG 67 NE -0.0020 -0.0090 0.0130 1049 ARG 67 CZ -0.0016 -0.0092 0.0135 1050 ARG 67 NH1 0.0008 -0.0090 0.0135 1051 ARG 67 NH2 -0.0038 -0.0095 0.0141 1052 ARG 67 H -0.0077 -0.0069 0.0070 1053 ARG 67 HA -0.0041 -0.0072 0.0082 1054 ARG 67 HB3 -0.0045 -0.0078 0.0097 1055 ARG 67 HB2 -0.0050 -0.0086 0.0115 1056 ARG 67 HG3 0.0006 -0.0075 0.0097 1057 ARG 67 HG2 -0.0007 -0.0088 0.0126 1058 ARG 67 HD3 0.0015 -0.0080 0.0110 1059 ARG 67 HD2 0.0015 -0.0092 0.0140 1060 ARG 67 HE -0.0039 -0.0091 0.0130 1061 ARG 67 HH12 0.0011 -0.0092 0.0139 1062 ARG 67 HH11 0.0025 -0.0087 0.0131 1063 ARG 67 HH22 -0.0035 -0.0097 0.0145 1064 ARG 67 HH21 -0.0056 -0.0097 0.0142 1065 GLY 68 N 0.0001 -0.0060 0.0058 1066 GLY 68 CA 0.0027 -0.0053 0.0044 1067 GLY 68 C 0.0022 -0.0042 0.0016 1068 GLY 68 O 0.0041 -0.0035 0.0001 1069 GLY 68 H -0.0004 -0.0064 0.0066 1070 GLY 68 HA3 0.0036 -0.0053 0.0046 1071 GLY 68 HA2 0.0041 -0.0055 0.0052 1072 SER 69 N -0.0024 -0.0028 0.0004 1073 SER 69 CA -0.0027 -0.0024 -0.0008 1074 SER 69 C -0.0028 -0.0022 -0.0020 1075 SER 69 O -0.0035 -0.0016 -0.0020 1076 SER 69 CB -0.0038 -0.0016 -0.0005 1077 SER 69 OG -0.0046 -0.0009 -0.0003 1078 SER 69 H -0.0030 -0.0024 0.0010 1079 SER 69 HA -0.0021 -0.0028 -0.0010 1080 SER 69 HB3 -0.0038 -0.0017 0.0005 1081 SER 69 HB2 -0.0039 -0.0014 -0.0013 1082 SER 69 HG -0.0047 -0.0010 0.0006 1083 ALA 70 N -0.0020 -0.0026 -0.0030 1084 ALA 70 CA -0.0020 -0.0025 -0.0042 1085 ALA 70 C -0.0028 -0.0018 -0.0052 1086 ALA 70 O -0.0031 -0.0015 -0.0049 1087 ALA 70 CB -0.0009 -0.0033 -0.0049 1088 ALA 70 H -0.0015 -0.0031 -0.0029 1089 ALA 70 HA -0.0023 -0.0023 -0.0040 1090 ALA 70 HB1 -0.0009 -0.0032 -0.0058 1091 ALA 70 HB2 -0.0003 -0.0038 -0.0042 1092 ALA 70 HB3 -0.0006 -0.0035 -0.0052 1093 GLY 71 N -0.0010 -0.0005 -0.0015 1094 GLY 71 CA -0.0018 -0.0003 -0.0025 1095 GLY 71 C -0.0011 -0.0004 -0.0035 1096 GLY 71 O -0.0001 -0.0006 -0.0035 1097 GLY 71 H -0.0008 -0.0005 -0.0012 1098 GLY 71 HA3 -0.0021 -0.0003 -0.0027 1099 GLY 71 HA2 -0.0025 -0.0002 -0.0023 1100 PRO 72 N -0.0018 -0.0003 -0.0045 1101 PRO 72 CA -0.0012 -0.0003 -0.0055 1102 PRO 72 C -0.0003 -0.0004 -0.0059 1103 PRO 72 O -0.0005 -0.0004 -0.0058 1104 PRO 72 CB -0.0021 -0.0001 -0.0064 1105 PRO 72 CG -0.0032 -0.0000 -0.0057 1106 PRO 72 CD -0.0030 -0.0001 -0.0047 1107 PRO 72 HA -0.0008 -0.0004 -0.0053 1108 PRO 72 HB3 -0.0021 -0.0001 -0.0068 1109 PRO 72 HB2 -0.0021 -0.0001 -0.0070 1110 PRO 72 HG3 -0.0034 0.0000 -0.0054 1111 PRO 72 HG2 -0.0039 0.0001 -0.0062 1112 PRO 72 HD2 -0.0031 -0.0001 -0.0050 1113 PRO 72 HD3 -0.0035 -0.0000 -0.0040 1114 CYS 73 N 0.0017 -0.0021 -0.0084 1115 CYS 73 CA 0.0031 -0.0016 -0.0085 1116 CYS 73 C 0.0033 -0.0000 -0.0090 1117 CYS 73 O 0.0022 0.0008 -0.0093 1118 CYS 73 CB 0.0033 -0.0022 -0.0083 1119 CYS 73 SG 0.0019 -0.0016 -0.0085 1120 CYS 73 H 0.0008 -0.0019 -0.0085 1121 CYS 73 HA 0.0040 -0.0021 -0.0083 1122 CYS 73 HB3 0.0034 -0.0033 -0.0079 1123 CYS 73 HB2 0.0044 -0.0018 -0.0083 1124 CYS 74 N 0.0047 0.0005 -0.0090 1125 CYS 74 CA 0.0050 0.0020 -0.0095 1126 CYS 74 C 0.0049 0.0025 -0.0096 1127 CYS 74 O 0.0058 0.0021 -0.0095 1128 CYS 74 CB 0.0066 0.0023 -0.0095 1129 CYS 74 SG 0.0069 0.0042 -0.0100 1130 CYS 74 H 0.0055 -0.0002 -0.0088 1131 CYS 74 HA 0.0042 0.0026 -0.0097 1132 CYS 74 HB3 0.0074 0.0019 -0.0093 1133 CYS 74 HB2 0.0066 0.0018 -0.0093 1134 THR 75 N 0.0055 0.0006 -0.0106 1135 THR 75 CA 0.0045 0.0008 -0.0104 1136 THR 75 C 0.0040 0.0021 -0.0101 1137 THR 75 O 0.0041 0.0028 -0.0099 1138 THR 75 CB 0.0033 -0.0002 -0.0105 1139 THR 75 OG1 0.0026 -0.0005 -0.0105 1140 THR 75 CG2 0.0024 0.0002 -0.0103 1141 THR 75 H 0.0054 0.0012 -0.0104 1142 THR 75 HA 0.0049 0.0005 -0.0105 1143 THR 75 HB 0.0038 -0.0011 -0.0108 1144 THR 75 HG1 0.0024 -0.0014 -0.0107 1145 THR 75 HG21 0.0016 -0.0005 -0.0104 1146 THR 75 HG22 0.0029 0.0004 -0.0104 1147 THR 75 HG23 0.0020 0.0011 -0.0101 1148 PRO 76 N 0.0034 0.0025 -0.0099 1149 PRO 76 CA 0.0029 0.0038 -0.0095 1150 PRO 76 C 0.0018 0.0040 -0.0094 1151 PRO 76 O 0.0009 0.0032 -0.0095 1152 PRO 76 CB 0.0024 0.0039 -0.0095 1153 PRO 76 CG 0.0032 0.0030 -0.0098 1154 PRO 76 CD 0.0034 0.0019 -0.0101 1155 PRO 76 HA 0.0037 0.0045 -0.0095 1156 PRO 76 HB3 0.0026 0.0049 -0.0093 1157 PRO 76 HB2 0.0014 0.0036 -0.0094 1158 PRO 76 HG3 0.0041 0.0034 -0.0098 1159 PRO 76 HG2 0.0026 0.0026 -0.0098 1160 PRO 76 HD2 0.0026 0.0012 -0.0101 1161 PRO 76 HD3 0.0044 0.0015 -0.0103 1162 THR 77 N 0.0023 0.0033 -0.0120 1163 THR 77 CA 0.0017 0.0037 -0.0116 1164 THR 77 C 0.0005 0.0049 -0.0102 1165 THR 77 O -0.0002 0.0053 -0.0098 1166 THR 77 CB 0.0035 0.0039 -0.0114 1167 THR 77 OG1 0.0048 0.0048 -0.0105 1168 THR 77 CG2 0.0045 0.0026 -0.0129 1169 THR 77 H 0.0032 0.0040 -0.0113 1170 THR 77 HA 0.0008 0.0028 -0.0124 1171 THR 77 HB 0.0031 0.0043 -0.0110 1172 THR 77 HG1 0.0052 0.0045 -0.0109 1173 THR 77 HG21 0.0058 0.0027 -0.0127 1174 THR 77 HG22 0.0035 0.0018 -0.0136 1175 THR 77 HG23 0.0050 0.0022 -0.0133 1176 LYS 78 N 0.0004 0.0056 -0.0096 1177 LYS 78 CA -0.0008 0.0067 -0.0083 1178 LYS 78 C -0.0015 0.0068 -0.0082 1179 LYS 78 O -0.0004 0.0067 -0.0084 1180 LYS 78 CB 0.0003 0.0081 -0.0070 1181 LYS 78 CG -0.0010 0.0093 -0.0057 1182 LYS 78 CD 0.0002 0.0106 -0.0044 1183 LYS 78 CE -0.0011 0.0118 -0.0031 1184 LYS 78 NZ 0.0000 0.0131 -0.0018 1185 LYS 78 H 0.0012 0.0053 -0.0099 1186 LYS 78 HA -0.0021 0.0066 -0.0084 1187 LYS 78 HB3 0.0015 0.0082 -0.0069 1188 LYS 78 HB2 0.0009 0.0080 -0.0072 1189 LYS 78 HG3 -0.0022 0.0091 -0.0058 1190 LYS 78 HG2 -0.0017 0.0094 -0.0055 1191 LYS 78 HD3 0.0014 0.0107 -0.0044 1192 LYS 78 HD2 0.0007 0.0105 -0.0045 1193 LYS 78 HE3 -0.0023 0.0117 -0.0031 1194 LYS 78 HE2 -0.0017 0.0119 -0.0030 1195 LYS 78 HZ1 0.0012 0.0132 -0.0018 1196 LYS 78 HZ2 -0.0008 0.0139 -0.0010 1197 LYS 78 HZ3 0.0006 0.0130 -0.0019 1198 MET 79 N 0.0035 0.0022 -0.0029 1199 MET 79 CA 0.0028 0.0022 -0.0028 1200 MET 79 C 0.0018 0.0036 -0.0016 1201 MET 79 O 0.0010 0.0042 -0.0009 1202 MET 79 CB 0.0015 0.0009 -0.0038 1203 MET 79 CG 0.0023 -0.0006 -0.0051 1204 MET 79 SD 0.0038 -0.0011 -0.0057 1205 MET 79 CE 0.0021 -0.0017 -0.0060 1206 MET 79 H 0.0026 0.0023 -0.0027 1207 MET 79 HA 0.0041 0.0021 -0.0030 1208 MET 79 HB3 0.0009 0.0009 -0.0038 1209 MET 79 HB2 0.0002 0.0010 -0.0036 1210 MET 79 HG3 0.0011 -0.0014 -0.0057 1211 MET 79 HG2 0.0031 -0.0005 -0.0052 1212 MET 79 HE1 0.0028 -0.0021 -0.0064 1213 MET 79 HE2 0.0011 -0.0026 -0.0067 1214 MET 79 HE3 0.0012 -0.0008 -0.0052 1215 SER 80 N 0.0019 0.0041 -0.0012 1216 SER 80 CA 0.0009 0.0053 -0.0001 1217 SER 80 C -0.0004 0.0048 -0.0003 1218 SER 80 O 0.0000 0.0038 -0.0012 1219 SER 80 CB 0.0022 0.0066 0.0009 1220 SER 80 OG 0.0028 0.0074 0.0015 1221 SER 80 H 0.0028 0.0035 -0.0017 1222 SER 80 HA -0.0000 0.0056 0.0003 1223 SER 80 HB3 0.0015 0.0073 0.0016 1224 SER 80 HB2 0.0035 0.0062 0.0005 1225 SER 80 HG 0.0038 0.0069 0.0010 1226 PRO 81 N -0.0040 0.0034 0.0056 1227 PRO 81 CA -0.0050 0.0027 0.0055 1228 PRO 81 C -0.0045 0.0032 0.0057 1229 PRO 81 O -0.0035 0.0041 0.0061 1230 PRO 81 CB -0.0065 0.0029 0.0065 1231 PRO 81 CG -0.0060 0.0041 0.0075 1232 PRO 81 CD -0.0045 0.0043 0.0068 1233 PRO 81 HA -0.0052 0.0017 0.0046 1234 PRO 81 HB3 -0.0071 0.0022 0.0062 1235 PRO 81 HB2 -0.0071 0.0029 0.0069 1236 PRO 81 HG3 -0.0068 0.0042 0.0079 1237 PRO 81 HG2 -0.0058 0.0048 0.0081 1238 PRO 81 HD2 -0.0037 0.0052 0.0073 1239 PRO 81 HD3 -0.0047 0.0041 0.0067 1240 ILE 82 N -0.0053 0.0025 0.0054 1241 ILE 82 CA -0.0052 0.0030 0.0059 1242 ILE 82 C -0.0068 0.0027 0.0065 1243 ILE 82 O -0.0079 0.0018 0.0062 1244 ILE 82 CB -0.0044 0.0025 0.0049 1245 ILE 82 CG1 -0.0050 0.0011 0.0039 1246 ILE 82 CG2 -0.0027 0.0029 0.0044 1247 ILE 82 CD1 -0.0045 0.0006 0.0031 1248 ILE 82 H -0.0059 0.0016 0.0049 1249 ILE 82 HA -0.0047 0.0040 0.0066 1250 ILE 82 HB -0.0045 0.0028 0.0053 1251 ILE 82 HG13 -0.0062 0.0008 0.0043 1252 ILE 82 HG12 -0.0047 0.0007 0.0034 1253 ILE 82 HG21 -0.0021 0.0026 0.0037 1254 ILE 82 HG22 -0.0023 0.0039 0.0052 1255 ILE 82 HG23 -0.0026 0.0026 0.0040 1256 ILE 82 HD11 -0.0050 -0.0004 0.0024 1257 ILE 82 HD12 -0.0048 0.0009 0.0036 1258 ILE 82 HD13 -0.0033 0.0008 0.0027 1259 ASN 83 N -0.0095 0.0010 0.0059 1260 ASN 83 CA -0.0093 0.0003 0.0062 1261 ASN 83 C -0.0085 -0.0007 0.0057 1262 ASN 83 O -0.0080 -0.0005 0.0048 1263 ASN 83 CB -0.0094 0.0010 0.0058 1264 ASN 83 CG -0.0102 0.0020 0.0063 1265 ASN 83 OD1 -0.0108 0.0019 0.0072 1266 ASN 83 ND2 -0.0103 0.0030 0.0056 1267 ASN 83 H -0.0094 0.0017 0.0053 1268 ASN 83 HA -0.0098 0.0000 0.0070 1269 ASN 83 HB3 -0.0093 0.0005 0.0059 1270 ASN 83 HB2 -0.0090 0.0013 0.0049 1271 ASN 83 HD22 -0.0108 0.0037 0.0059 1272 ASN 83 HD21 -0.0098 0.0031 0.0049 1273 MET 84 N -0.0084 -0.0017 0.0063 1274 MET 84 CA -0.0077 -0.0027 0.0059 1275 MET 84 C -0.0075 -0.0034 0.0061 1276 MET 84 O -0.0080 -0.0034 0.0069 1277 MET 84 CB -0.0077 -0.0034 0.0064 1278 MET 84 CG -0.0078 -0.0027 0.0061 1279 MET 84 SD -0.0077 -0.0036 0.0066 1280 MET 84 CE -0.0067 -0.0044 0.0057 1281 MET 84 H -0.0089 -0.0017 0.0070 1282 MET 84 HA -0.0072 -0.0024 0.0051 1283 MET 84 HB3 -0.0071 -0.0041 0.0061 1284 MET 84 HB2 -0.0082 -0.0036 0.0072 1285 MET 84 HG3 -0.0084 -0.0020 0.0065 1286 MET 84 HG2 -0.0074 -0.0024 0.0053 1287 MET 84 HE1 -0.0065 -0.0050 0.0059 1288 MET 84 HE2 -0.0065 -0.0049 0.0057 1289 MET 84 HE3 -0.0064 -0.0039 0.0049 1290 LEU 85 N -0.0073 -0.0067 0.0051 1291 LEU 85 CA -0.0058 -0.0058 0.0047 1292 LEU 85 C -0.0047 -0.0060 0.0064 1293 LEU 85 O -0.0041 -0.0063 0.0074 1294 LEU 85 CB -0.0049 -0.0048 0.0035 1295 LEU 85 CG -0.0037 -0.0038 0.0024 1296 LEU 85 CD1 -0.0048 -0.0037 0.0010 1297 LEU 85 CD2 -0.0027 -0.0029 0.0015 1298 LEU 85 H -0.0071 -0.0068 0.0057 1299 LEU 85 HA -0.0063 -0.0057 0.0040 1300 LEU 85 HB3 -0.0042 -0.0048 0.0043 1301 LEU 85 HB2 -0.0059 -0.0049 0.0026 1302 LEU 85 HG -0.0028 -0.0038 0.0033 1303 LEU 85 HD11 -0.0039 -0.0029 0.0003 1304 LEU 85 HD12 -0.0055 -0.0043 0.0017 1305 LEU 85 HD13 -0.0058 -0.0037 0.0002 1306 LEU 85 HD21 -0.0019 -0.0022 0.0008 1307 LEU 85 HD22 -0.0036 -0.0029 0.0007 1308 LEU 85 HD23 -0.0019 -0.0030 0.0025 1309 TYR 86 N -0.0043 -0.0060 0.0066 1310 TYR 86 CA -0.0034 -0.0063 0.0083 1311 TYR 86 C -0.0024 -0.0058 0.0082 1312 TYR 86 O -0.0027 -0.0053 0.0068 1313 TYR 86 CB -0.0047 -0.0075 0.0096 1314 TYR 86 CG -0.0060 -0.0078 0.0089 1315 TYR 86 CD1 -0.0076 -0.0080 0.0078 1316 TYR 86 CD2 -0.0058 -0.0079 0.0094 1317 TYR 86 CE1 -0.0088 -0.0083 0.0072 1318 TYR 86 CE2 -0.0070 -0.0082 0.0088 1319 TYR 86 CZ -0.0085 -0.0084 0.0078 1320 TYR 86 OH -0.0097 -0.0087 0.0072 1321 TYR 86 H -0.0046 -0.0057 0.0057 1322 TYR 86 HA -0.0025 -0.0061 0.0089 1323 TYR 86 HB3 -0.0053 -0.0079 0.0097 1324 TYR 86 HB2 -0.0040 -0.0078 0.0109 1325 TYR 86 HD1 -0.0078 -0.0080 0.0074 1326 TYR 86 HD2 -0.0046 -0.0078 0.0103 1327 TYR 86 HE1 -0.0100 -0.0085 0.0064 1328 TYR 86 HE2 -0.0067 -0.0083 0.0092 1329 TYR 86 HH -0.0107 -0.0088 0.0064 1330 PHE 87 N -0.0031 -0.0079 0.0113 1331 PHE 87 CA 0.0004 -0.0051 0.0108 1332 PHE 87 C -0.0013 -0.0066 0.0122 1333 PHE 87 O -0.0030 -0.0084 0.0166 1334 PHE 87 CB 0.0044 -0.0024 0.0149 1335 PHE 87 CG 0.0070 -0.0002 0.0133 1336 PHE 87 CD1 0.0100 0.0026 0.0091 1337 PHE 87 CD2 0.0064 -0.0009 0.0160 1338 PHE 87 CE1 0.0123 0.0047 0.0077 1339 PHE 87 CE2 0.0088 0.0011 0.0146 1340 PHE 87 CZ 0.0118 0.0039 0.0104 1341 PHE 87 H -0.0034 -0.0085 0.0151 1342 PHE 87 HA 0.0015 -0.0038 0.0065 1343 PHE 87 HB3 0.0067 -0.0006 0.0152 1344 PHE 87 HB2 0.0033 -0.0037 0.0191 1345 PHE 87 HD1 0.0104 0.0032 0.0069 1346 PHE 87 HD2 0.0042 -0.0031 0.0193 1347 PHE 87 HE1 0.0147 0.0068 0.0044 1348 PHE 87 HE2 0.0084 0.0005 0.0168 1349 PHE 87 HZ 0.0136 0.0055 0.0093 1350 ASN 88 N -0.0008 -0.0058 0.0083 1351 ASN 88 CA -0.0019 -0.0068 0.0095 1352 ASN 88 C 0.0019 -0.0042 0.0129 1353 ASN 88 O 0.0052 -0.0017 0.0146 1354 ASN 88 CB -0.0032 -0.0072 0.0041 1355 ASN 88 CG 0.0006 -0.0038 0.0002 1356 ASN 88 OD1 0.0044 -0.0009 0.0018 1357 ASN 88 ND2 -0.0004 -0.0041 -0.0049 1358 ASN 88 H 0.0004 -0.0044 0.0046 1359 ASN 88 HA -0.0048 -0.0093 0.0120 1360 ASN 88 HB3 -0.0060 -0.0092 0.0018 1361 ASN 88 HB2 -0.0043 -0.0082 0.0051 1362 ASN 88 HD22 0.0019 -0.0019 -0.0076 1363 ASN 88 HD21 -0.0036 -0.0065 -0.0060 1364 ASP 89 N -0.0024 -0.0207 0.0222 1365 ASP 89 CA 0.0035 -0.0134 0.0274 1366 ASP 89 C 0.0118 0.0025 0.0225 1367 ASP 89 O 0.0190 0.0103 0.0309 1368 ASP 89 CB -0.0019 -0.0194 0.0213 1369 ASP 89 CG -0.0065 -0.0186 0.0035 1370 ASP 89 OD1 -0.0084 -0.0184 -0.0036 1371 ASP 89 OD2 -0.0083 -0.0184 -0.0034 1372 ASP 89 H -0.0090 -0.0287 0.0161 1373 ASP 89 HA 0.0060 -0.0154 0.0402 1374 ASP 89 HB3 -0.0069 -0.0302 0.0267 1375 ASP 89 HB2 0.0026 -0.0138 0.0249 1376 LYS 90 N 0.0107 0.0071 0.0088 1377 LYS 90 CA 0.0182 0.0221 0.0032 1378 LYS 90 C 0.0237 0.0283 0.0095 1379 LYS 90 O 0.0298 0.0404 0.0047 1380 LYS 90 CB 0.0147 0.0249 -0.0147 1381 LYS 90 CG 0.0100 0.0207 -0.0225 1382 LYS 90 CD 0.0033 0.0176 -0.0388 1383 LYS 90 CE 0.0004 0.0174 -0.0488 1384 LYS 90 NZ -0.0033 0.0194 -0.0657 1385 LYS 90 H 0.0046 0.0003 0.0020 1386 LYS 90 HA 0.0226 0.0274 0.0074 1387 LYS 90 HB3 0.0203 0.0359 -0.0186 1388 LYS 90 HB2 0.0102 0.0195 -0.0191 1389 LYS 90 HG3 0.0063 0.0115 -0.0155 1390 LYS 90 HG2 0.0149 0.0293 -0.0233 1391 LYS 90 HD3 0.0064 0.0253 -0.0445 1392 LYS 90 HD2 -0.0026 0.0075 -0.0380 1393 LYS 90 HE3 -0.0048 0.0075 -0.0458 1394 LYS 90 HE2 0.0061 0.0258 -0.0465 1395 LYS 90 HZ1 0.0015 0.0287 -0.0685 1396 LYS 90 HZ2 -0.0052 0.0193 -0.0722 1397 LYS 90 HZ3 -0.0087 0.0116 -0.0679 1398 GLN 91 N 0.0182 0.0103 0.0120 1399 GLN 91 CA 0.0217 0.0132 0.0150 1400 GLN 91 C 0.0206 0.0166 0.0081 1401 GLN 91 O 0.0243 0.0218 0.0085 1402 GLN 91 CB 0.0280 0.0192 0.0199 1403 GLN 91 CG 0.0295 0.0162 0.0271 1404 GLN 91 CD 0.0280 0.0094 0.0333 1405 GLN 91 OE1 0.0278 0.0085 0.0342 1406 GLN 91 NE2 0.0267 0.0045 0.0375 1407 GLN 91 H 0.0154 0.0047 0.0140 1408 GLN 91 HA 0.0206 0.0085 0.0192 1409 GLN 91 HB3 0.0305 0.0212 0.0221 1410 GLN 91 HB2 0.0293 0.0241 0.0157 1411 GLN 91 HG3 0.0340 0.0207 0.0301 1412 GLN 91 HG2 0.0273 0.0146 0.0247 1413 GLN 91 HE22 0.0257 -0.0001 0.0418 1414 GLN 91 HE21 0.0269 0.0054 0.0365 1415 GLN 92 N 0.0154 0.0136 0.0016 1416 GLN 92 CA 0.0136 0.0156 -0.0050 1417 GLN 92 C 0.0116 0.0110 -0.0026 1418 GLN 92 O 0.0095 0.0045 0.0019 1419 GLN 92 CB 0.0088 0.0144 -0.0130 1420 GLN 92 CG 0.0105 0.0191 -0.0161 1421 GLN 92 CD 0.0054 0.0166 -0.0231 1422 GLN 92 OE1 0.0009 0.0098 -0.0230 1423 GLN 92 NE2 0.0061 0.0220 -0.0291 1424 GLN 92 H 0.0126 0.0098 0.0012 1425 GLN 92 HA 0.0172 0.0216 -0.0058 1426 GLN 92 HB3 0.0074 0.0156 -0.0177 1427 GLN 92 HB2 0.0052 0.0084 -0.0122 1428 GLN 92 HG3 0.0127 0.0187 -0.0111 1429 GLN 92 HG2 0.0135 0.0250 -0.0183 1430 GLN 92 HE22 0.0029 0.0206 -0.0339 1431 GLN 92 HE21 0.0099 0.0275 -0.0289 1432 ILE 93 N 0.0057 0.0041 -0.0003 1433 ILE 93 CA 0.0035 0.0020 -0.0003 1434 ILE 93 C 0.0007 -0.0003 -0.0028 1435 ILE 93 O 0.0007 0.0002 -0.0065 1436 ILE 93 CB 0.0045 0.0032 -0.0019 1437 ILE 93 CG1 0.0073 0.0054 0.0007 1438 ILE 93 CG2 0.0020 0.0008 -0.0020 1439 ILE 93 CD1 0.0088 0.0071 -0.0012 1440 ILE 93 H 0.0074 0.0059 -0.0021 1441 ILE 93 HA 0.0030 0.0010 0.0028 1442 ILE 93 HB 0.0051 0.0041 -0.0050 1443 ILE 93 HG13 0.0088 0.0067 0.0013 1444 ILE 93 HG12 0.0066 0.0044 0.0036 1445 ILE 93 HG21 0.0028 0.0017 -0.0031 1446 ILE 93 HG22 0.0001 -0.0007 -0.0039 1447 ILE 93 HG23 0.0014 -0.0002 0.0011 1448 ILE 93 HD11 0.0108 0.0086 0.0008 1449 ILE 93 HD12 0.0095 0.0082 -0.0041 1450 ILE 93 HD13 0.0073 0.0058 -0.0017 1451 ILE 94 N -0.0017 -0.0028 -0.0009 1452 ILE 94 CA -0.0044 -0.0051 -0.0030 1453 ILE 94 C -0.0070 -0.0075 -0.0026 1454 ILE 94 O -0.0074 -0.0084 0.0006 1455 ILE 94 CB -0.0052 -0.0061 -0.0012 1456 ILE 94 CG1 -0.0027 -0.0037 -0.0015 1457 ILE 94 CG2 -0.0081 -0.0085 -0.0034 1458 ILE 94 CD1 -0.0021 -0.0024 -0.0058 1459 ILE 94 H -0.0016 -0.0032 0.0021 1460 ILE 94 HA -0.0041 -0.0043 -0.0061 1461 ILE 94 HB -0.0055 -0.0068 0.0019 1462 ILE 94 HG13 -0.0032 -0.0044 -0.0001 1463 ILE 94 HG12 -0.0007 -0.0020 0.0002 1464 ILE 94 HG21 -0.0086 -0.0092 -0.0021 1465 ILE 94 HG22 -0.0099 -0.0102 -0.0030 1466 ILE 94 HG23 -0.0079 -0.0078 -0.0066 1467 ILE 94 HD11 -0.0002 -0.0007 -0.0058 1468 ILE 94 HD12 -0.0040 -0.0041 -0.0075 1469 ILE 94 HD13 -0.0014 -0.0016 -0.0073 1470 TYR 95 N -0.0064 -0.0048 0.0045 1471 TYR 95 CA -0.0070 -0.0041 0.0041 1472 TYR 95 C -0.0080 -0.0041 0.0048 1473 TYR 95 O -0.0085 -0.0042 0.0053 1474 TYR 95 CB -0.0071 -0.0033 0.0032 1475 TYR 95 CG -0.0079 -0.0025 0.0029 1476 TYR 95 CD1 -0.0075 -0.0022 0.0023 1477 TYR 95 CD2 -0.0089 -0.0021 0.0032 1478 TYR 95 CE1 -0.0082 -0.0015 0.0019 1479 TYR 95 CE2 -0.0096 -0.0014 0.0029 1480 TYR 95 CZ -0.0093 -0.0011 0.0022 1481 TYR 95 OH -0.0099 -0.0003 0.0019 1482 TYR 95 H -0.0066 -0.0048 0.0045 1483 TYR 95 HA -0.0065 -0.0042 0.0039 1484 TYR 95 HB3 -0.0074 -0.0033 0.0034 1485 TYR 95 HB2 -0.0064 -0.0033 0.0027 1486 TYR 95 HD1 -0.0067 -0.0025 0.0020 1487 TYR 95 HD2 -0.0092 -0.0023 0.0037 1488 TYR 95 HE1 -0.0079 -0.0012 0.0015 1489 TYR 95 HE2 -0.0104 -0.0011 0.0031 1490 TYR 95 HH -0.0106 -0.0001 0.0022 1491 GLY 96 N -0.0084 -0.0040 0.0049 1492 GLY 96 CA -0.0094 -0.0039 0.0056 1493 GLY 96 C -0.0098 -0.0035 0.0054 1494 GLY 96 O -0.0093 -0.0035 0.0050 1495 GLY 96 H -0.0079 -0.0039 0.0045 1496 GLY 96 HA3 -0.0093 -0.0046 0.0063 1497 GLY 96 HA2 -0.0099 -0.0036 0.0056 1498 LYS 97 N -0.0131 0.0002 0.0099 1499 LYS 97 CA -0.0123 0.0014 0.0094 1500 LYS 97 C -0.0122 0.0000 0.0090 1501 LYS 97 O -0.0134 -0.0006 0.0099 1502 LYS 97 CB -0.0129 0.0032 0.0105 1503 LYS 97 CG -0.0119 0.0046 0.0100 1504 LYS 97 CD -0.0126 0.0065 0.0111 1505 LYS 97 CE -0.0118 0.0082 0.0108 1506 LYS 97 NZ -0.0118 0.0077 0.0107 1507 LYS 97 H -0.0142 0.0003 0.0110 1508 LYS 97 HA -0.0111 0.0018 0.0085 1509 LYS 97 HB3 -0.0140 0.0027 0.0114 1510 LYS 97 HB2 -0.0131 0.0039 0.0109 1511 LYS 97 HG3 -0.0108 0.0050 0.0090 1512 LYS 97 HG2 -0.0118 0.0040 0.0097 1513 LYS 97 HD3 -0.0125 0.0069 0.0112 1514 LYS 97 HD2 -0.0137 0.0062 0.0121 1515 LYS 97 HE3 -0.0106 0.0085 0.0098 1516 LYS 97 HE2 -0.0122 0.0095 0.0116 1517 LYS 97 HZ1 -0.0111 0.0069 0.0098 1518 LYS 97 HZ2 -0.0129 0.0070 0.0115 1519 LYS 97 HZ3 -0.0116 0.0090 0.0109 1520 ILE 98 N -0.0109 -0.0004 0.0077 1521 ILE 98 CA -0.0108 -0.0017 0.0071 1522 ILE 98 C -0.0102 -0.0007 0.0069 1523 ILE 98 O -0.0089 0.0001 0.0059 1524 ILE 98 CB -0.0097 -0.0032 0.0058 1525 ILE 98 CG1 -0.0102 -0.0041 0.0060 1526 ILE 98 CG2 -0.0097 -0.0047 0.0054 1527 ILE 98 CD1 -0.0117 -0.0053 0.0070 1528 ILE 98 H -0.0100 0.0003 0.0070 1529 ILE 98 HA -0.0119 -0.0026 0.0079 1530 ILE 98 HB -0.0086 -0.0023 0.0050 1531 ILE 98 HG13 -0.0094 -0.0049 0.0050 1532 ILE 98 HG12 -0.0101 -0.0029 0.0062 1533 ILE 98 HG21 -0.0090 -0.0057 0.0044 1534 ILE 98 HG22 -0.0093 -0.0040 0.0052 1535 ILE 98 HG23 -0.0108 -0.0055 0.0062 1536 ILE 98 HD11 -0.0119 -0.0059 0.0071 1537 ILE 98 HD12 -0.0118 -0.0065 0.0068 1538 ILE 98 HD13 -0.0125 -0.0045 0.0081 1539 PRO 99 N -0.0082 -0.0007 0.0051 1540 PRO 99 CA -0.0058 -0.0001 0.0045 1541 PRO 99 C -0.0041 -0.0011 0.0019 1542 PRO 99 O -0.0052 -0.0026 0.0003 1543 PRO 99 CB -0.0070 -0.0006 0.0046 1544 PRO 99 CG -0.0099 -0.0007 0.0060 1545 PRO 99 CD -0.0108 -0.0014 0.0055 1546 PRO 99 HA -0.0046 0.0013 0.0058 1547 PRO 99 HB3 -0.0059 0.0005 0.0055 1548 PRO 99 HB2 -0.0071 -0.0018 0.0027 1549 PRO 99 HG3 -0.0098 0.0006 0.0080 1550 PRO 99 HG2 -0.0112 -0.0016 0.0054 1551 PRO 99 HD2 -0.0116 -0.0028 0.0039 1552 PRO 99 HD3 -0.0122 -0.0009 0.0072 1553 GLY 100 N -0.0015 -0.0003 0.0016 1554 GLY 100 CA 0.0002 -0.0012 -0.0008 1555 GLY 100 C 0.0007 -0.0017 -0.0019 1556 GLY 100 O 0.0008 -0.0031 -0.0041 1557 GLY 100 H -0.0007 0.0010 0.0030 1558 GLY 100 HA3 -0.0006 -0.0023 -0.0021 1559 GLY 100 HA2 0.0022 -0.0004 -0.0007 1560 MET 101 N -0.0015 0.0010 0.0006 1561 MET 101 CA -0.0010 0.0006 -0.0003 1562 MET 101 C 0.0003 0.0015 -0.0009 1563 MET 101 O 0.0009 0.0011 -0.0019 1564 MET 101 CB -0.0016 0.0005 0.0003 1565 MET 101 CG -0.0029 -0.0007 0.0006 1566 MET 101 SD -0.0029 -0.0021 -0.0008 1567 MET 101 CE -0.0024 -0.0020 -0.0013 1568 MET 101 H -0.0016 0.0017 0.0014 1569 MET 101 HA -0.0011 -0.0003 -0.0010 1570 MET 101 HB3 -0.0012 0.0004 -0.0003 1571 MET 101 HB2 -0.0017 0.0013 0.0012 1572 MET 101 HG3 -0.0033 -0.0006 0.0012 1573 MET 101 HG2 -0.0033 -0.0007 0.0011 1574 MET 101 HE1 -0.0023 -0.0028 -0.0021 1575 MET 101 HE2 -0.0030 -0.0020 -0.0005 1576 MET 101 HE3 -0.0015 -0.0012 -0.0014 1577 VAL 102 N 0.0007 0.0027 -0.0002 1578 VAL 102 CA 0.0019 0.0037 -0.0006 1579 VAL 102 C 0.0025 0.0043 -0.0007 1580 VAL 102 O 0.0020 0.0046 0.0002 1581 VAL 102 CB 0.0020 0.0047 0.0003 1582 VAL 102 CG1 0.0033 0.0058 -0.0001 1583 VAL 102 CG2 0.0015 0.0042 0.0003 1584 VAL 102 H 0.0002 0.0030 0.0007 1585 VAL 102 HA 0.0024 0.0033 -0.0015 1586 VAL 102 HB 0.0015 0.0051 0.0012 1587 VAL 102 HG11 0.0033 0.0065 0.0005 1588 VAL 102 HG12 0.0036 0.0062 -0.0001 1589 VAL 102 HG13 0.0038 0.0054 -0.0011 1590 VAL 102 HG21 0.0016 0.0049 0.0009 1591 VAL 102 HG22 0.0020 0.0038 -0.0006 1592 VAL 102 HG23 0.0006 0.0035 0.0006 1593 VAL 103 N 0.0033 0.0061 -0.0051 1594 VAL 103 CA 0.0036 0.0062 -0.0051 1595 VAL 103 C 0.0039 0.0071 -0.0049 1596 VAL 103 O 0.0045 0.0073 -0.0050 1597 VAL 103 CB 0.0041 0.0057 -0.0056 1598 VAL 103 CG1 0.0045 0.0059 -0.0057 1599 VAL 103 CG2 0.0037 0.0048 -0.0058 1600 VAL 103 H 0.0037 0.0059 -0.0053 1601 VAL 103 HA 0.0030 0.0061 -0.0049 1602 VAL 103 HB 0.0046 0.0057 -0.0058 1603 VAL 103 HG11 0.0049 0.0055 -0.0060 1604 VAL 103 HG12 0.0048 0.0065 -0.0055 1605 VAL 103 HG13 0.0040 0.0059 -0.0055 1606 VAL 103 HG21 0.0041 0.0044 -0.0062 1607 VAL 103 HG22 0.0032 0.0048 -0.0056 1608 VAL 103 HG23 0.0035 0.0046 -0.0058 1609 ASP 104 N 0.0036 0.0075 -0.0045 1610 ASP 104 CA 0.0039 0.0083 -0.0043 1611 ASP 104 C 0.0045 0.0084 -0.0045 1612 ASP 104 O 0.0050 0.0090 -0.0045 1613 ASP 104 CB 0.0032 0.0088 -0.0037 1614 ASP 104 CG 0.0027 0.0087 -0.0035 1615 ASP 104 OD1 0.0029 0.0087 -0.0036 1616 ASP 104 OD2 0.0020 0.0088 -0.0031 1617 ASP 104 H 0.0031 0.0072 -0.0044 1618 ASP 104 HA 0.0042 0.0086 -0.0043 1619 ASP 104 HB3 0.0035 0.0094 -0.0036 1620 ASP 104 HB2 0.0029 0.0085 -0.0037 1621 ARG 105 N 0.0025 0.0078 -0.0073 1622 ARG 105 CA 0.0038 0.0071 -0.0077 1623 ARG 105 C 0.0038 0.0061 -0.0089 1624 ARG 105 O 0.0027 0.0058 -0.0097 1625 ARG 105 CB 0.0037 0.0073 -0.0075 1626 ARG 105 CG 0.0050 0.0067 -0.0077 1627 ARG 105 CD 0.0048 0.0069 -0.0075 1628 ARG 105 NE 0.0043 0.0079 -0.0064 1629 ARG 105 CZ 0.0035 0.0083 -0.0063 1630 ARG 105 NH1 0.0031 0.0077 -0.0071 1631 ARG 105 NH2 0.0031 0.0093 -0.0052 1632 ARG 105 H 0.0017 0.0076 -0.0079 1633 ARG 105 HA 0.0048 0.0072 -0.0071 1634 ARG 105 HB3 0.0028 0.0071 -0.0081 1635 ARG 105 HB2 0.0035 0.0080 -0.0066 1636 ARG 105 HG3 0.0060 0.0069 -0.0071 1637 ARG 105 HG2 0.0052 0.0059 -0.0086 1638 ARG 105 HD3 0.0058 0.0066 -0.0075 1639 ARG 105 HD2 0.0041 0.0065 -0.0082 1640 ARG 105 HE 0.0046 0.0084 -0.0057 1641 ARG 105 HH12 0.0025 0.0080 -0.0070 1642 ARG 105 HH11 0.0034 0.0070 -0.0079 1643 ARG 105 HH22 0.0025 0.0096 -0.0051 1644 ARG 105 HH21 0.0034 0.0097 -0.0046 1645 CYS 106 N 0.0051 0.0055 -0.0092 1646 CYS 106 CA 0.0054 0.0045 -0.0103 1647 CYS 106 C 0.0062 0.0038 -0.0108 1648 CYS 106 O 0.0071 0.0041 -0.0101 1649 CYS 106 CB 0.0061 0.0042 -0.0103 1650 CYS 106 SG 0.0051 0.0049 -0.0099 1651 CYS 106 H 0.0060 0.0057 -0.0085 1652 CYS 106 HA 0.0043 0.0043 -0.0109 1653 CYS 106 HB3 0.0064 0.0035 -0.0112 1654 CYS 106 HB2 0.0072 0.0044 -0.0097 1655 GLY 107 N 0.0048 0.0036 -0.0148 1656 GLY 107 CA 0.0034 0.0027 -0.0146 1657 GLY 107 C 0.0033 0.0023 -0.0131 1658 GLY 107 O 0.0044 0.0026 -0.0124 1659 GLY 107 H 0.0056 0.0038 -0.0142 1660 GLY 107 HA3 0.0029 0.0028 -0.0155 1661 GLY 107 HA2 0.0028 0.0024 -0.0145 1662 CYS 108 N 0.0021 0.0014 -0.0127 1663 CYS 108 CA 0.0019 0.0009 -0.0114 1664 CYS 108 C 0.0015 0.0008 -0.0118 1665 CYS 108 O 0.0004 0.0004 -0.0125 1666 CYS 108 CB 0.0008 0.0000 -0.0106 1667 CYS 108 SG 0.0013 0.0001 -0.0099 1668 CYS 108 H 0.0013 0.0012 -0.0134 1669 CYS 108 HA 0.0029 0.0012 -0.0106 1670 CYS 108 HB3 0.0006 -0.0004 -0.0097 1671 CYS 108 HB2 -0.0001 -0.0002 -0.0114 1672 SER 109 N 0.0014 -0.0003 -0.0116 1673 SER 109 CA 0.0009 -0.0005 -0.0108 1674 SER 109 C 0.0009 -0.0013 -0.0096 1675 SER 109 O 0.0018 -0.0018 -0.0093 1676 SER 109 CB 0.0016 -0.0007 -0.0111 1677 SER 109 OG 0.0017 0.0000 -0.0122 1678 SER 109 OXT -0.0001 -0.0014 -0.0089 1679 SER 109 H 0.0023 -0.0006 -0.0115 1680 SER 109 HA -0.0000 -0.0001 -0.0109 1681 SER 109 HB3 0.0012 -0.0008 -0.0105 1682 SER 109 HB2 0.0025 -0.0011 -0.0109 1683 SER 109 HG 0.0021 0.0001 -0.0127 1684 ASN 1 N 0.0196 -0.0295 0.0407 1685 ASN 1 CA 0.0217 -0.0410 0.0410 1686 ASN 1 C 0.0221 -0.0458 0.0296 1687 ASN 1 O 0.0234 -0.0536 0.0271 1688 ASN 1 CB 0.0223 -0.0428 0.0470 1689 ASN 1 CG 0.0245 -0.0546 0.0481 1690 ASN 1 OD1 0.0257 -0.0594 0.0571 1691 ASN 1 ND2 0.0250 -0.0592 0.0410 1692 ASN 1 H1 0.0194 -0.0265 0.0484 1693 ASN 1 H2 0.0193 -0.0283 0.0371 1694 ASN 1 HA 0.0226 -0.0449 0.0456 1695 ASN 1 HB3 0.0214 -0.0387 0.0427 1696 ASN 1 HB2 0.0219 -0.0391 0.0550 1697 ASN 1 HD22 0.0265 -0.0670 0.0418 1698 ASN 1 HD21 0.0240 -0.0552 0.0343 1699 LEU 2 N 0.0210 -0.0411 0.0225 1700 LEU 2 CA 0.0210 -0.0440 0.0110 1701 LEU 2 C 0.0196 -0.0378 0.0048 1702 LEU 2 O 0.0195 -0.0393 -0.0050 1703 LEU 2 CB 0.0205 -0.0420 0.0062 1704 LEU 2 CG 0.0222 -0.0506 0.0090 1705 LEU 2 CD1 0.0213 -0.0462 0.0080 1706 LEU 2 CD2 0.0236 -0.0602 0.0015 1707 LEU 2 H 0.0200 -0.0352 0.0251 1708 LEU 2 HA 0.0226 -0.0525 0.0103 1709 LEU 2 HB3 0.0200 -0.0414 -0.0026 1710 LEU 2 HB2 0.0192 -0.0342 0.0089 1711 LEU 2 HG 0.0230 -0.0531 0.0173 1712 LEU 2 HD11 0.0225 -0.0525 0.0100 1713 LEU 2 HD12 0.0203 -0.0395 0.0136 1714 LEU 2 HD13 0.0205 -0.0436 -0.0003 1715 LEU 2 HD21 0.0248 -0.0664 0.0034 1716 LEU 2 HD22 0.0228 -0.0578 -0.0070 1717 LEU 2 HD23 0.0242 -0.0634 0.0026 1718 GLY 3 N 0.0119 -0.0209 0.0051 1719 GLY 3 CA 0.0103 -0.0176 0.0038 1720 GLY 3 C 0.0115 -0.0146 0.0043 1721 GLY 3 O 0.0140 -0.0147 0.0059 1722 GLY 3 H 0.0142 -0.0207 0.0065 1723 GLY 3 HA3 0.0106 -0.0169 0.0039 1724 GLY 3 HA2 0.0079 -0.0182 0.0023 1725 LEU 4 N 0.0097 -0.0120 0.0029 1726 LEU 4 CA 0.0104 -0.0089 0.0031 1727 LEU 4 C 0.0112 -0.0056 0.0033 1728 LEU 4 O 0.0096 -0.0048 0.0022 1729 LEU 4 CB 0.0078 -0.0082 0.0014 1730 LEU 4 CG 0.0084 -0.0055 0.0015 1731 LEU 4 CD1 0.0109 -0.0067 0.0032 1732 LEU 4 CD2 0.0055 -0.0051 -0.0004 1733 LEU 4 H 0.0077 -0.0120 0.0016 1734 LEU 4 HA 0.0124 -0.0095 0.0044 1735 LEU 4 HB3 0.0059 -0.0075 0.0001 1736 LEU 4 HB2 0.0070 -0.0108 0.0011 1737 LEU 4 HG 0.0090 -0.0030 0.0017 1738 LEU 4 HD11 0.0112 -0.0047 0.0033 1739 LEU 4 HD12 0.0129 -0.0069 0.0045 1740 LEU 4 HD13 0.0102 -0.0092 0.0030 1741 LEU 4 HD21 0.0059 -0.0032 -0.0003 1742 LEU 4 HD22 0.0047 -0.0077 -0.0007 1743 LEU 4 HD23 0.0037 -0.0042 -0.0016 1744 ASP 5 N 0.0076 -0.0086 0.0057 1745 ASP 5 CA 0.0090 -0.0065 0.0055 1746 ASP 5 C 0.0086 -0.0046 0.0042 1747 ASP 5 O 0.0083 -0.0047 0.0040 1748 ASP 5 CB 0.0111 -0.0064 0.0072 1749 ASP 5 CG 0.0118 -0.0077 0.0085 1750 ASP 5 OD1 0.0108 -0.0083 0.0080 1751 ASP 5 OD2 0.0133 -0.0082 0.0100 1752 ASP 5 H 0.0078 -0.0092 0.0061 1753 ASP 5 HA 0.0087 -0.0063 0.0052 1754 ASP 5 HB3 0.0121 -0.0047 0.0070 1755 ASP 5 HB2 0.0113 -0.0071 0.0077 1756 CYS 6 N 0.0086 -0.0028 0.0032 1757 CYS 6 CA 0.0084 -0.0009 0.0019 1758 CYS 6 C 0.0100 0.0012 0.0020 1759 CYS 6 O 0.0109 0.0012 0.0027 1760 CYS 6 CB 0.0064 -0.0006 0.0002 1761 CYS 6 SG 0.0043 -0.0029 -0.0002 1762 CYS 6 H 0.0088 -0.0028 0.0034 1763 CYS 6 HA 0.0085 -0.0010 0.0021 1764 CYS 6 HB3 0.0062 0.0008 -0.0008 1765 CYS 6 HB2 0.0063 -0.0003 -0.0001 1766 ASP 7 N 0.0077 0.0013 -0.0015 1767 ASP 7 CA 0.0145 0.0031 -0.0050 1768 ASP 7 C 0.0139 0.0047 -0.0118 1769 ASP 7 O 0.0085 0.0044 -0.0131 1770 ASP 7 CB 0.0168 0.0038 -0.0066 1771 ASP 7 CG 0.0112 0.0042 -0.0111 1772 ASP 7 OD1 0.0053 0.0038 -0.0126 1773 ASP 7 OD2 0.0128 0.0050 -0.0132 1774 ASP 7 H 0.0032 0.0014 -0.0043 1775 ASP 7 HA 0.0186 0.0028 -0.0016 1776 ASP 7 HB3 0.0178 0.0027 -0.0017 1777 ASP 7 HB2 0.0219 0.0052 -0.0093 1778 GLU 8 N 0.0194 0.0066 -0.0160 1779 GLU 8 CA 0.0195 0.0083 -0.0226 1780 GLU 8 C 0.0133 0.0087 -0.0276 1781 GLU 8 O 0.0106 0.0094 -0.0318 1782 GLU 8 CB 0.0267 0.0102 -0.0262 1783 GLU 8 CG 0.0292 0.0105 -0.0263 1784 GLU 8 CD 0.0364 0.0124 -0.0297 1785 GLU 8 OE1 0.0391 0.0134 -0.0325 1786 GLU 8 OE2 0.0393 0.0128 -0.0297 1787 GLU 8 H 0.0238 0.0068 -0.0147 1788 GLU 8 HA 0.0189 0.0079 -0.0215 1789 GLU 8 HB3 0.0308 0.0101 -0.0237 1790 GLU 8 HB2 0.0262 0.0115 -0.0316 1791 GLU 8 HG3 0.0252 0.0107 -0.0290 1792 GLU 8 HG2 0.0297 0.0092 -0.0209 1793 HIS 9 N 0.0186 0.0051 -0.0280 1794 HIS 9 CA 0.0131 0.0061 -0.0323 1795 HIS 9 C 0.0063 0.0056 -0.0290 1796 HIS 9 O 0.0016 0.0059 -0.0301 1797 HIS 9 CB 0.0135 0.0064 -0.0343 1798 HIS 9 CG 0.0201 0.0068 -0.0369 1799 HIS 9 ND1 0.0238 0.0062 -0.0344 1800 HIS 9 CD2 0.0238 0.0077 -0.0420 1801 HIS 9 CE1 0.0294 0.0067 -0.0377 1802 HIS 9 NE2 0.0295 0.0077 -0.0424 1803 HIS 9 H 0.0206 0.0045 -0.0252 1804 HIS 9 HA 0.0133 0.0069 -0.0367 1805 HIS 9 HB3 0.0097 0.0073 -0.0378 1806 HIS 9 HB2 0.0123 0.0056 -0.0301 1807 HIS 9 HD1 0.0220 0.0055 -0.0306 1808 HIS 9 HD2 0.0219 0.0083 -0.0448 1809 HIS 9 HE1 0.0329 0.0064 -0.0364 1810 SER 10 N 0.0060 0.0048 -0.0249 1811 SER 10 CA -0.0002 0.0043 -0.0218 1812 SER 10 C -0.0022 0.0048 -0.0239 1813 SER 10 O 0.0021 0.0048 -0.0248 1814 SER 10 CB 0.0003 0.0028 -0.0144 1815 SER 10 OG 0.0021 0.0023 -0.0121 1816 SER 10 H 0.0101 0.0045 -0.0240 1817 SER 10 HA -0.0041 0.0047 -0.0233 1818 SER 10 HB3 -0.0044 0.0025 -0.0122 1819 SER 10 HB2 0.0040 0.0024 -0.0128 1820 SER 10 HG -0.0012 0.0026 -0.0134 1821 SER 11 N 0.0058 0.0005 -0.0229 1822 SER 11 CA 0.0045 0.0009 -0.0222 1823 SER 11 C 0.0020 0.0014 -0.0172 1824 SER 11 O -0.0010 0.0025 -0.0164 1825 SER 11 CB 0.0015 0.0025 -0.0264 1826 SER 11 OG -0.0023 0.0040 -0.0269 1827 SER 11 H 0.0033 0.0015 -0.0234 1828 SER 11 HA 0.0076 -0.0002 -0.0222 1829 SER 11 HB3 0.0035 0.0020 -0.0298 1830 SER 11 HB2 0.0002 0.0029 -0.0256 1831 SER 11 HG -0.0041 0.0044 -0.0239 1832 GLU 12 N 0.0033 0.0006 -0.0139 1833 GLU 12 CA 0.0011 0.0009 -0.0089 1834 GLU 12 C 0.0026 0.0000 -0.0055 1835 GLU 12 O 0.0067 -0.0016 -0.0043 1836 GLU 12 CB 0.0023 0.0003 -0.0067 1837 GLU 12 CG 0.0003 0.0005 -0.0015 1838 GLU 12 CD -0.0049 0.0025 -0.0013 1839 GLU 12 OE1 -0.0072 0.0036 -0.0033 1840 GLU 12 OE2 -0.0067 0.0030 0.0006 1841 GLU 12 H 0.0059 -0.0003 -0.0147 1842 GLU 12 HA -0.0026 0.0024 -0.0093 1843 GLU 12 HB3 0.0060 -0.0011 -0.0067 1844 GLU 12 HB2 0.0009 0.0010 -0.0090 1845 GLU 12 HG3 0.0017 -0.0003 0.0008 1846 GLU 12 HG2 0.0013 -0.0000 -0.0001 1847 SER 13 N 0.0033 0.0030 0.0088 1848 SER 13 CA 0.0013 0.0017 0.0106 1849 SER 13 C 0.0012 0.0001 0.0088 1850 SER 13 O -0.0007 -0.0017 0.0096 1851 SER 13 CB 0.0013 0.0040 0.0134 1852 SER 13 OG 0.0030 0.0057 0.0125 1853 SER 13 H 0.0048 0.0050 0.0088 1854 SER 13 HA -0.0003 0.0003 0.0114 1855 SER 13 HB3 0.0016 0.0054 0.0145 1856 SER 13 HB2 -0.0004 0.0030 0.0149 1857 SER 13 HG 0.0027 0.0044 0.0115 1858 ARG 14 N 0.0031 0.0008 0.0064 1859 ARG 14 CA 0.0032 -0.0006 0.0046 1860 ARG 14 C 0.0021 -0.0036 0.0027 1861 ARG 14 O 0.0019 -0.0044 0.0020 1862 ARG 14 CB 0.0057 0.0011 0.0025 1863 ARG 14 CG 0.0070 0.0042 0.0041 1864 ARG 14 CD 0.0082 0.0051 0.0032 1865 ARG 14 NE 0.0097 0.0081 0.0043 1866 ARG 14 CZ 0.0091 0.0095 0.0072 1867 ARG 14 NH1 0.0068 0.0081 0.0091 1868 ARG 14 NH2 0.0106 0.0123 0.0080 1869 ARG 14 H 0.0046 0.0023 0.0057 1870 ARG 14 HA 0.0022 -0.0007 0.0062 1871 ARG 14 HB3 0.0056 0.0001 0.0014 1872 ARG 14 HB2 0.0066 0.0009 0.0007 1873 ARG 14 HG3 0.0083 0.0055 0.0035 1874 ARG 14 HG2 0.0058 0.0046 0.0065 1875 ARG 14 HD3 0.0069 0.0040 0.0040 1876 ARG 14 HD2 0.0091 0.0044 0.0007 1877 ARG 14 HE 0.0114 0.0092 0.0029 1878 ARG 14 HH12 0.0063 0.0091 0.0113 1879 ARG 14 HH11 0.0056 0.0060 0.0085 1880 ARG 14 HH22 0.0101 0.0133 0.0101 1881 ARG 14 HH21 0.0123 0.0134 0.0065 1882 CYS 15 N 0.0015 -0.0059 0.0004 1883 CYS 15 CA 0.0011 -0.0069 -0.0004 1884 CYS 15 C 0.0024 -0.0070 -0.0008 1885 CYS 15 O 0.0037 -0.0070 -0.0011 1886 CYS 15 CB 0.0007 -0.0081 -0.0014 1887 CYS 15 SG 0.0002 -0.0094 -0.0025 1888 CYS 15 H 0.0014 -0.0062 0.0002 1889 CYS 15 HA -0.0000 -0.0068 -0.0000 1890 CYS 15 HB3 0.0018 -0.0082 -0.0018 1891 CYS 15 HB2 -0.0002 -0.0081 -0.0012 1892 CYS 16 N 0.0019 -0.0069 -0.0006 1893 CYS 16 CA 0.0031 -0.0067 -0.0007 1894 CYS 16 C 0.0024 -0.0073 -0.0011 1895 CYS 16 O 0.0010 -0.0075 -0.0009 1896 CYS 16 CB 0.0036 -0.0053 0.0004 1897 CYS 16 SG 0.0053 -0.0049 0.0004 1898 CYS 16 H 0.0008 -0.0071 -0.0005 1899 CYS 16 HA 0.0041 -0.0071 -0.0013 1900 CYS 16 HB3 0.0026 -0.0049 0.0010 1901 CYS 16 HB2 0.0037 -0.0049 0.0008 1902 ARG 17 N 0.0037 -0.0069 0.0014 1903 ARG 17 CA 0.0039 -0.0059 0.0019 1904 ARG 17 C 0.0041 -0.0051 0.0023 1905 ARG 17 O 0.0043 -0.0054 0.0029 1906 ARG 17 CB 0.0042 -0.0062 0.0027 1907 ARG 17 CG 0.0044 -0.0053 0.0032 1908 ARG 17 CD 0.0047 -0.0056 0.0040 1909 ARG 17 NE 0.0050 -0.0060 0.0050 1910 ARG 17 CZ 0.0053 -0.0059 0.0060 1911 ARG 17 NH1 0.0054 -0.0054 0.0061 1912 ARG 17 NH2 0.0055 -0.0064 0.0068 1913 ARG 17 H 0.0038 -0.0075 0.0018 1914 ARG 17 HA 0.0037 -0.0055 0.0013 1915 ARG 17 HB3 0.0044 -0.0066 0.0034 1916 ARG 17 HB2 0.0040 -0.0069 0.0025 1917 ARG 17 HG3 0.0042 -0.0049 0.0025 1918 ARG 17 HG2 0.0045 -0.0046 0.0034 1919 ARG 17 HD3 0.0045 -0.0062 0.0038 1920 ARG 17 HD2 0.0048 -0.0049 0.0043 1921 ARG 17 HE 0.0049 -0.0065 0.0048 1922 ARG 17 HH12 0.0057 -0.0053 0.0069 1923 ARG 17 HH11 0.0052 -0.0050 0.0055 1924 ARG 17 HH22 0.0058 -0.0063 0.0075 1925 ARG 17 HH21 0.0055 -0.0068 0.0066 1926 TYR 18 N 0.0041 -0.0041 0.0019 1927 TYR 18 CA 0.0043 -0.0032 0.0022 1928 TYR 18 C 0.0046 -0.0024 0.0029 1929 TYR 18 O 0.0046 -0.0022 0.0029 1930 TYR 18 CB 0.0040 -0.0026 0.0013 1931 TYR 18 CG 0.0037 -0.0033 0.0006 1932 TYR 18 CD1 0.0034 -0.0041 -0.0001 1933 TYR 18 CD2 0.0038 -0.0033 0.0008 1934 TYR 18 CE1 0.0031 -0.0047 -0.0007 1935 TYR 18 CE2 0.0035 -0.0039 0.0002 1936 TYR 18 CZ 0.0032 -0.0046 -0.0005 1937 TYR 18 OH 0.0030 -0.0053 -0.0011 1938 TYR 18 H 0.0039 -0.0038 0.0014 1939 TYR 18 HA 0.0044 -0.0036 0.0027 1940 TYR 18 HB3 0.0041 -0.0019 0.0015 1941 TYR 18 HB2 0.0038 -0.0023 0.0008 1942 TYR 18 HD1 0.0033 -0.0041 -0.0002 1943 TYR 18 HD2 0.0040 -0.0027 0.0014 1944 TYR 18 HE1 0.0029 -0.0053 -0.0012 1945 TYR 18 HE2 0.0036 -0.0038 0.0004 1946 TYR 18 HH 0.0028 -0.0057 -0.0015 1947 PRO 19 N 0.0081 0.0015 0.0022 1948 PRO 19 CA 0.0064 0.0013 0.0016 1949 PRO 19 C 0.0034 0.0013 0.0017 1950 PRO 19 O 0.0027 0.0018 0.0033 1951 PRO 19 CB 0.0071 0.0019 0.0035 1952 PRO 19 CG 0.0080 0.0027 0.0058 1953 PRO 19 CD 0.0094 0.0024 0.0047 1954 PRO 19 HA 0.0069 0.0006 -0.0003 1955 PRO 19 HB3 0.0088 0.0017 0.0029 1956 PRO 19 HB2 0.0054 0.0021 0.0041 1957 PRO 19 HG3 0.0095 0.0031 0.0069 1958 PRO 19 HG2 0.0063 0.0031 0.0069 1959 PRO 19 HD2 0.0089 0.0027 0.0059 1960 PRO 19 HD3 0.0115 0.0023 0.0045 1961 LEU 20 N 0.0018 0.0007 0.0001 1962 LEU 20 CA -0.0011 0.0008 0.0003 1963 LEU 20 C -0.0025 0.0003 -0.0010 1964 LEU 20 O -0.0023 -0.0004 -0.0033 1965 LEU 20 CB -0.0020 0.0004 -0.0009 1966 LEU 20 CG -0.0051 0.0003 -0.0010 1967 LEU 20 CD1 -0.0062 0.0012 0.0016 1968 LEU 20 CD2 -0.0058 -0.0003 -0.0027 1969 LEU 20 H 0.0026 0.0003 -0.0012 1970 LEU 20 HA -0.0017 0.0015 0.0023 1971 LEU 20 HB3 -0.0011 -0.0003 -0.0028 1972 LEU 20 HB2 -0.0012 0.0007 0.0002 1973 LEU 20 HG -0.0059 -0.0000 -0.0019 1974 LEU 20 HD11 -0.0084 0.0011 0.0015 1975 LEU 20 HD12 -0.0058 0.0016 0.0027 1976 LEU 20 HD13 -0.0054 0.0015 0.0025 1977 LEU 20 HD21 -0.0080 -0.0003 -0.0028 1978 LEU 20 HD22 -0.0050 0.0000 -0.0019 1979 LEU 20 HD23 -0.0050 -0.0009 -0.0046 1980 THR 21 N -0.0076 0.0015 -0.0041 1981 THR 21 CA -0.0075 0.0016 -0.0040 1982 THR 21 C -0.0066 0.0016 -0.0037 1983 THR 21 O -0.0060 0.0012 -0.0039 1984 THR 21 CB -0.0078 0.0010 -0.0045 1985 THR 21 OG1 -0.0087 0.0010 -0.0048 1986 THR 21 CG2 -0.0077 0.0012 -0.0044 1987 THR 21 H -0.0075 0.0010 -0.0045 1988 THR 21 HA -0.0079 0.0020 -0.0036 1989 THR 21 HB -0.0074 0.0006 -0.0049 1990 THR 21 HG1 -0.0088 0.0009 -0.0049 1991 THR 21 HG21 -0.0079 0.0008 -0.0048 1992 THR 21 HG22 -0.0070 0.0011 -0.0042 1993 THR 21 HG23 -0.0081 0.0016 -0.0041 1994 VAL 22 N -0.0064 0.0021 -0.0032 1995 VAL 22 CA -0.0056 0.0022 -0.0029 1996 VAL 22 C -0.0055 0.0020 -0.0030 1997 VAL 22 O -0.0060 0.0023 -0.0029 1998 VAL 22 CB -0.0054 0.0029 -0.0022 1999 VAL 22 CG1 -0.0046 0.0030 -0.0019 2000 VAL 22 CG2 -0.0052 0.0030 -0.0021 2001 VAL 22 H -0.0069 0.0025 -0.0030 2002 VAL 22 HA -0.0051 0.0018 -0.0031 2003 VAL 22 HB -0.0059 0.0032 -0.0021 2004 VAL 22 HG11 -0.0044 0.0034 -0.0014 2005 VAL 22 HG12 -0.0047 0.0029 -0.0020 2006 VAL 22 HG13 -0.0040 0.0026 -0.0021 2007 VAL 22 HG21 -0.0051 0.0035 -0.0016 2008 VAL 22 HG22 -0.0047 0.0026 -0.0023 2009 VAL 22 HG23 -0.0058 0.0029 -0.0023 2010 ASP 23 N -0.0026 0.0035 -0.0068 2011 ASP 23 CA -0.0008 0.0028 -0.0074 2012 ASP 23 C 0.0012 0.0024 -0.0057 2013 ASP 23 O 0.0024 0.0020 -0.0057 2014 ASP 23 CB -0.0001 0.0021 -0.0099 2015 ASP 23 CG 0.0017 0.0013 -0.0106 2016 ASP 23 OD1 0.0012 0.0012 -0.0122 2017 ASP 23 OD2 0.0036 0.0008 -0.0096 2018 ASP 23 H -0.0024 0.0034 -0.0071 2019 ASP 23 HA -0.0013 0.0030 -0.0073 2020 ASP 23 HB3 0.0005 0.0018 -0.0101 2021 ASP 23 HB2 -0.0016 0.0024 -0.0111 2022 PHE 24 N 0.0017 0.0025 -0.0042 2023 PHE 24 CA 0.0035 0.0022 -0.0023 2024 PHE 24 C 0.0058 0.0012 -0.0033 2025 PHE 24 O 0.0073 0.0008 -0.0022 2026 PHE 24 CB 0.0034 0.0025 -0.0006 2027 PHE 24 CG 0.0013 0.0035 0.0008 2028 PHE 24 CD1 0.0008 0.0040 0.0021 2029 PHE 24 CD2 -0.0002 0.0041 0.0007 2030 PHE 24 CE1 -0.0011 0.0049 0.0034 2031 PHE 24 CE2 -0.0021 0.0050 0.0019 2032 PHE 24 CZ -0.0025 0.0054 0.0033 2033 PHE 24 H 0.0008 0.0028 -0.0043 2034 PHE 24 HA 0.0032 0.0024 -0.0014 2035 PHE 24 HB3 0.0048 0.0022 0.0006 2036 PHE 24 HB2 0.0034 0.0023 -0.0016 2037 PHE 24 HD1 0.0019 0.0036 0.0022 2038 PHE 24 HD2 0.0002 0.0037 -0.0004 2039 PHE 24 HE1 -0.0015 0.0052 0.0044 2040 PHE 24 HE2 -0.0032 0.0054 0.0018 2041 PHE 24 HZ -0.0040 0.0061 0.0043 2042 GLU 25 N 0.0073 0.0009 -0.0061 2043 GLU 25 CA 0.0102 0.0003 -0.0075 2044 GLU 25 C 0.0103 0.0003 -0.0093 2045 GLU 25 O 0.0125 -0.0002 -0.0093 2046 GLU 25 CB 0.0110 0.0002 -0.0097 2047 GLU 25 CG 0.0096 0.0004 -0.0089 2048 GLU 25 CD 0.0104 0.0003 -0.0113 2049 GLU 25 OE1 0.0131 -0.0003 -0.0115 2050 GLU 25 OE2 0.0083 0.0008 -0.0129 2051 GLU 25 H 0.0058 0.0012 -0.0069 2052 GLU 25 HA 0.0119 -0.0001 -0.0057 2053 GLU 25 HB3 0.0135 -0.0004 -0.0098 2054 GLU 25 HB2 0.0104 0.0003 -0.0121 2055 GLU 25 HG3 0.0072 0.0010 -0.0087 2056 GLU 25 HG2 0.0104 0.0002 -0.0066 2057 ALA 26 N 0.0077 0.0009 -0.0108 2058 ALA 26 CA 0.0075 0.0009 -0.0126 2059 ALA 26 C 0.0074 0.0009 -0.0105 2060 ALA 26 O 0.0075 0.0009 -0.0116 2061 ALA 26 CB 0.0046 0.0016 -0.0146 2062 ALA 26 H 0.0059 0.0012 -0.0108 2063 ALA 26 HA 0.0095 0.0005 -0.0141 2064 ALA 26 HB1 0.0045 0.0016 -0.0159 2065 ALA 26 HB2 0.0048 0.0015 -0.0162 2066 ALA 26 HB3 0.0026 0.0020 -0.0132 2067 PHE 27 N 0.0066 0.0015 -0.0068 2068 PHE 27 CA 0.0066 0.0012 -0.0044 2069 PHE 27 C 0.0097 0.0003 -0.0033 2070 PHE 27 O 0.0104 -0.0001 -0.0019 2071 PHE 27 CB 0.0044 0.0015 -0.0018 2072 PHE 27 CG 0.0012 0.0025 -0.0026 2073 PHE 27 CD1 0.0003 0.0031 -0.0056 2074 PHE 27 CD2 -0.0010 0.0028 -0.0005 2075 PHE 27 CE1 -0.0026 0.0040 -0.0063 2076 PHE 27 CE2 -0.0040 0.0037 -0.0012 2077 PHE 27 CZ -0.0048 0.0042 -0.0041 2078 PHE 27 H 0.0065 0.0015 -0.0061 2079 PHE 27 HA 0.0059 0.0016 -0.0054 2080 PHE 27 HB3 0.0047 0.0012 0.0000 2081 PHE 27 HB2 0.0050 0.0012 -0.0008 2082 PHE 27 HD1 0.0020 0.0028 -0.0073 2083 PHE 27 HD2 -0.0004 0.0023 0.0019 2084 PHE 27 HE1 -0.0032 0.0044 -0.0087 2085 PHE 27 HE2 -0.0056 0.0039 0.0005 2086 PHE 27 HZ -0.0071 0.0049 -0.0047 2087 GLY 28 N 0.0116 -0.0002 -0.0040 2088 GLY 28 CA 0.0147 -0.0011 -0.0032 2089 GLY 28 C 0.0152 -0.0016 -0.0002 2090 GLY 28 O 0.0176 -0.0024 0.0009 2091 GLY 28 H 0.0108 0.0002 -0.0051 2092 GLY 28 HA3 0.0154 -0.0013 -0.0030 2093 GLY 28 HA2 0.0160 -0.0012 -0.0050 2094 TRP 29 N 0.0115 -0.0016 0.0005 2095 TRP 29 CA 0.0116 -0.0019 0.0032 2096 TRP 29 C 0.0130 -0.0024 0.0027 2097 TRP 29 O 0.0116 -0.0018 0.0023 2098 TRP 29 CB 0.0088 -0.0009 0.0044 2099 TRP 29 CG 0.0072 -0.0004 0.0049 2100 TRP 29 CD1 0.0080 -0.0006 0.0045 2101 TRP 29 CD2 0.0045 0.0006 0.0059 2102 TRP 29 NE1 0.0059 0.0001 0.0052 2103 TRP 29 CE2 0.0037 0.0009 0.0061 2104 TRP 29 CE3 0.0026 0.0013 0.0067 2105 TRP 29 CZ2 0.0012 0.0018 0.0070 2106 TRP 29 CZ3 0.0000 0.0022 0.0076 2107 TRP 29 CH2 -0.0006 0.0024 0.0078 2108 TRP 29 H 0.0098 -0.0008 -0.0005 2109 TRP 29 HA 0.0127 -0.0025 0.0047 2110 TRP 29 HB3 0.0089 -0.0012 0.0064 2111 TRP 29 HB2 0.0077 -0.0004 0.0030 2112 TRP 29 HD1 0.0100 -0.0013 0.0037 2113 TRP 29 HE1 0.0062 0.0000 0.0050 2114 TRP 29 HE3 0.0031 0.0011 0.0066 2115 TRP 29 HZ2 0.0007 0.0020 0.0071 2116 TRP 29 HZ3 -0.0014 0.0027 0.0083 2117 TRP 29 HH2 -0.0026 0.0031 0.0085 2118 ASP 30 N 0.0156 -0.0035 0.0029 2119 ASP 30 CA 0.0171 -0.0040 0.0024 2120 ASP 30 C 0.0168 -0.0041 0.0049 2121 ASP 30 O 0.0175 -0.0044 0.0047 2122 ASP 30 CB 0.0200 -0.0051 0.0017 2123 ASP 30 CG 0.0214 -0.0059 0.0041 2124 ASP 30 OD1 0.0236 -0.0068 0.0048 2125 ASP 30 OD2 0.0203 -0.0056 0.0054 2126 ASP 30 H 0.0166 -0.0039 0.0034 2127 ASP 30 HA 0.0162 -0.0035 0.0005 2128 ASP 30 HB3 0.0202 -0.0050 -0.0002 2129 ASP 30 HB2 0.0211 -0.0054 0.0011 2130 TRP 31 N 0.0139 -0.0063 0.0109 2131 TRP 31 CA 0.0136 -0.0057 0.0124 2132 TRP 31 C 0.0118 -0.0038 0.0114 2133 TRP 31 O 0.0114 -0.0032 0.0121 2134 TRP 31 CB 0.0139 -0.0055 0.0154 2135 TRP 31 CG 0.0129 -0.0042 0.0163 2136 TRP 31 CD1 0.0134 -0.0048 0.0165 2137 TRP 31 CD2 0.0111 -0.0020 0.0172 2138 TRP 31 NE1 0.0121 -0.0031 0.0174 2139 TRP 31 CE2 0.0106 -0.0014 0.0179 2140 TRP 31 CE3 0.0098 -0.0006 0.0175 2141 TRP 31 CZ2 0.0090 0.0006 0.0188 2142 TRP 31 CZ3 0.0082 0.0014 0.0184 2143 TRP 31 CH2 0.0078 0.0020 0.0191 2144 TRP 31 H 0.0139 -0.0061 0.0119 2145 TRP 31 HA 0.0147 -0.0070 0.0119 2146 TRP 31 HB3 0.0154 -0.0071 0.0161 2147 TRP 31 HB2 0.0135 -0.0049 0.0165 2148 TRP 31 HD1 0.0147 -0.0064 0.0159 2149 TRP 31 HE1 0.0122 -0.0033 0.0176 2150 TRP 31 HE3 0.0102 -0.0010 0.0170 2151 TRP 31 HZ2 0.0087 0.0011 0.0193 2152 TRP 31 HZ3 0.0072 0.0026 0.0187 2153 TRP 31 HH2 0.0065 0.0036 0.0198 2154 ILE 32 N 0.0106 -0.0027 0.0098 2155 ILE 32 CA 0.0089 -0.0010 0.0085 2156 ILE 32 C 0.0092 -0.0019 0.0056 2157 ILE 32 O 0.0098 -0.0028 0.0040 2158 ILE 32 CB 0.0073 0.0007 0.0083 2159 ILE 32 CG1 0.0067 0.0019 0.0111 2160 ILE 32 CG2 0.0057 0.0022 0.0062 2161 ILE 32 CD1 0.0057 0.0031 0.0114 2162 ILE 32 H 0.0109 -0.0031 0.0096 2163 ILE 32 HA 0.0085 -0.0004 0.0096 2164 ILE 32 HB 0.0078 0.0001 0.0076 2165 ILE 32 HG13 0.0079 0.0008 0.0127 2166 ILE 32 HG12 0.0058 0.0030 0.0115 2167 ILE 32 HG21 0.0046 0.0035 0.0061 2168 ILE 32 HG22 0.0062 0.0014 0.0042 2169 ILE 32 HG23 0.0052 0.0029 0.0069 2170 ILE 32 HD11 0.0053 0.0039 0.0135 2171 ILE 32 HD12 0.0066 0.0021 0.0111 2172 ILE 32 HD13 0.0045 0.0042 0.0099 2173 ILE 33 N 0.0086 -0.0007 0.0064 2174 ILE 33 CA 0.0089 -0.0013 0.0040 2175 ILE 33 C 0.0073 0.0001 0.0021 2176 ILE 33 O 0.0075 -0.0003 0.0000 2177 ILE 33 CB 0.0093 -0.0018 0.0042 2178 ILE 33 CG1 0.0109 -0.0034 0.0060 2179 ILE 33 CG2 0.0095 -0.0025 0.0017 2180 ILE 33 CD1 0.0112 -0.0035 0.0070 2181 ILE 33 H 0.0082 -0.0000 0.0076 2182 ILE 33 HA 0.0099 -0.0026 0.0033 2183 ILE 33 HB 0.0083 -0.0006 0.0050 2184 ILE 33 HG13 0.0109 -0.0031 0.0075 2185 ILE 33 HG12 0.0119 -0.0047 0.0051 2186 ILE 33 HG21 0.0098 -0.0028 0.0019 2187 ILE 33 HG22 0.0084 -0.0013 0.0005 2188 ILE 33 HG23 0.0105 -0.0037 0.0009 2189 ILE 33 HD11 0.0123 -0.0047 0.0082 2190 ILE 33 HD12 0.0102 -0.0022 0.0080 2191 ILE 33 HD13 0.0113 -0.0039 0.0054 2192 ALA 34 N 0.0059 0.0019 0.0029 2193 ALA 34 CA 0.0044 0.0034 0.0013 2194 ALA 34 C 0.0030 0.0053 0.0029 2195 ALA 34 O 0.0030 0.0055 0.0049 2196 ALA 34 CB 0.0041 0.0035 -0.0004 2197 ALA 34 H 0.0059 0.0022 0.0046 2198 ALA 34 HA 0.0044 0.0032 0.0002 2199 ALA 34 HB1 0.0029 0.0046 -0.0016 2200 ALA 34 HB2 0.0051 0.0021 -0.0016 2201 ALA 34 HB3 0.0041 0.0037 0.0007 2202 PRO 35 N -0.0013 0.0057 0.0012 2203 PRO 35 CA -0.0016 0.0051 -0.0018 2204 PRO 35 C 0.0001 0.0041 -0.0026 2205 PRO 35 O 0.0010 0.0040 -0.0009 2206 PRO 35 CB -0.0044 0.0064 -0.0024 2207 PRO 35 CG -0.0050 0.0073 0.0002 2208 PRO 35 CD -0.0035 0.0071 0.0025 2209 PRO 35 HA -0.0012 0.0047 -0.0029 2210 PRO 35 HB3 -0.0055 0.0068 -0.0028 2211 PRO 35 HB2 -0.0046 0.0061 -0.0041 2212 PRO 35 HG3 -0.0070 0.0084 0.0004 2213 PRO 35 HG2 -0.0045 0.0070 0.0002 2214 PRO 35 HD2 -0.0028 0.0071 0.0041 2215 PRO 35 HD3 -0.0046 0.0078 0.0032 2216 LYS 36 N 0.0004 0.0033 -0.0053 2217 LYS 36 CA 0.0020 0.0023 -0.0063 2218 LYS 36 C 0.0004 0.0030 -0.0067 2219 LYS 36 O 0.0013 0.0025 -0.0066 2220 LYS 36 CB 0.0029 0.0011 -0.0090 2221 LYS 36 CG 0.0046 0.0004 -0.0088 2222 LYS 36 CD 0.0071 -0.0005 -0.0071 2223 LYS 36 CE 0.0087 -0.0012 -0.0069 2224 LYS 36 NZ 0.0108 -0.0017 -0.0045 2225 LYS 36 H -0.0003 0.0033 -0.0066 2226 LYS 36 HA 0.0036 0.0018 -0.0048 2227 LYS 36 HB3 0.0040 0.0004 -0.0098 2228 LYS 36 HB2 0.0013 0.0015 -0.0106 2229 LYS 36 HG3 0.0049 -0.0003 -0.0109 2230 LYS 36 HG2 0.0036 0.0011 -0.0079 2231 LYS 36 HD3 0.0067 0.0002 -0.0051 2232 LYS 36 HD2 0.0081 -0.0012 -0.0081 2233 LYS 36 HE3 0.0096 -0.0021 -0.0088 2234 LYS 36 HE2 0.0076 -0.0006 -0.0066 2235 LYS 36 HZ1 0.0100 -0.0008 -0.0028 2236 LYS 36 HZ2 0.0118 -0.0022 -0.0044 2237 LYS 36 HZ3 0.0119 -0.0023 -0.0048 2238 ARG 37 N -0.0024 0.0027 -0.0046 2239 ARG 37 CA -0.0038 0.0023 -0.0055 2240 ARG 37 C -0.0060 0.0029 -0.0044 2241 ARG 37 O -0.0069 0.0033 -0.0034 2242 ARG 37 CB -0.0043 0.0013 -0.0079 2243 ARG 37 CG -0.0023 0.0006 -0.0094 2244 ARG 37 CD -0.0032 -0.0003 -0.0117 2245 ARG 37 NE -0.0045 -0.0006 -0.0123 2246 ARG 37 CZ -0.0035 -0.0009 -0.0130 2247 ARG 37 NH1 -0.0012 -0.0010 -0.0131 2248 ARG 37 NH2 -0.0047 -0.0011 -0.0135 2249 ARG 37 H -0.0033 0.0030 -0.0039 2250 ARG 37 HA -0.0028 0.0024 -0.0054 2251 ARG 37 HB3 -0.0057 0.0011 -0.0084 2252 ARG 37 HB2 -0.0052 0.0013 -0.0081 2253 ARG 37 HG3 -0.0012 0.0007 -0.0092 2254 ARG 37 HG2 -0.0013 0.0007 -0.0091 2255 ARG 37 HD3 -0.0017 -0.0008 -0.0128 2256 ARG 37 HD2 -0.0043 -0.0004 -0.0120 2257 ARG 37 HE -0.0062 -0.0004 -0.0121 2258 ARG 37 HH12 -0.0004 -0.0013 -0.0137 2259 ARG 37 HH11 -0.0002 -0.0009 -0.0128 2260 ARG 37 HH22 -0.0040 -0.0013 -0.0140 2261 ARG 37 HH21 -0.0065 -0.0009 -0.0133 2262 TYR 38 N -0.0071 0.0028 -0.0046 2263 TYR 38 CA -0.0094 0.0033 -0.0036 2264 TYR 38 C -0.0104 0.0030 -0.0045 2265 TYR 38 O -0.0092 0.0026 -0.0053 2266 TYR 38 CB -0.0092 0.0044 -0.0012 2267 TYR 38 CG -0.0086 0.0047 -0.0003 2268 TYR 38 CD1 -0.0063 0.0046 -0.0004 2269 TYR 38 CD2 -0.0102 0.0051 0.0005 2270 TYR 38 CE1 -0.0057 0.0049 0.0004 2271 TYR 38 CE2 -0.0096 0.0055 0.0014 2272 TYR 38 CZ -0.0074 0.0054 0.0013 2273 TYR 38 OH -0.0068 0.0057 0.0021 2274 TYR 38 H -0.0064 0.0025 -0.0054 2275 TYR 38 HA -0.0105 0.0032 -0.0041 2276 TYR 38 HB3 -0.0079 0.0046 -0.0006 2277 TYR 38 HB2 -0.0108 0.0047 -0.0005 2278 TYR 38 HD1 -0.0049 0.0043 -0.0010 2279 TYR 38 HD2 -0.0120 0.0052 0.0006 2280 TYR 38 HE1 -0.0039 0.0049 0.0004 2281 TYR 38 HE2 -0.0110 0.0058 0.0020 2282 TYR 38 HH -0.0081 0.0060 0.0027 2283 LYS 39 N -0.0095 0.0014 -0.0009 2284 LYS 39 CA -0.0091 0.0010 -0.0010 2285 LYS 39 C -0.0084 0.0019 -0.0007 2286 LYS 39 O -0.0088 0.0027 -0.0005 2287 LYS 39 CB -0.0101 0.0008 -0.0011 2288 LYS 39 CG -0.0107 -0.0002 -0.0014 2289 LYS 39 CD -0.0117 -0.0004 -0.0015 2290 LYS 39 CE -0.0127 -0.0001 -0.0014 2291 LYS 39 NZ -0.0129 0.0010 -0.0011 2292 LYS 39 H -0.0102 0.0017 -0.0008 2293 LYS 39 HA -0.0086 0.0003 -0.0011 2294 LYS 39 HB3 -0.0098 0.0006 -0.0011 2295 LYS 39 HB2 -0.0106 0.0015 -0.0009 2296 LYS 39 HG3 -0.0110 -0.0000 -0.0013 2297 LYS 39 HG2 -0.0102 -0.0009 -0.0015 2298 LYS 39 HD3 -0.0117 -0.0012 -0.0017 2299 LYS 39 HD2 -0.0116 0.0001 -0.0013 2300 LYS 39 HE3 -0.0128 -0.0006 -0.0016 2301 LYS 39 HE2 -0.0134 -0.0004 -0.0015 2302 LYS 39 HZ1 -0.0122 0.0013 -0.0010 2303 LYS 39 HZ2 -0.0130 0.0014 -0.0010 2304 LYS 39 HZ3 -0.0135 0.0011 -0.0011 2305 ALA 40 N -0.0073 0.0016 -0.0007 2306 ALA 40 CA -0.0066 0.0024 -0.0005 2307 ALA 40 C -0.0064 0.0022 -0.0005 2308 ALA 40 O -0.0062 0.0029 -0.0003 2309 ALA 40 CB -0.0055 0.0023 -0.0004 2310 ALA 40 H -0.0071 0.0009 -0.0009 2311 ALA 40 HA -0.0069 0.0032 -0.0003 2312 ALA 40 HB1 -0.0049 0.0028 -0.0003 2313 ALA 40 HB2 -0.0056 0.0025 -0.0004 2314 ALA 40 HB3 -0.0052 0.0015 -0.0006 2315 ASN 41 N -0.0033 -0.0004 0.0012 2316 ASN 41 CA -0.0025 -0.0011 0.0011 2317 ASN 41 C -0.0025 -0.0011 0.0001 2318 ASN 41 O -0.0030 -0.0005 -0.0006 2319 ASN 41 CB -0.0018 -0.0018 0.0011 2320 ASN 41 CG -0.0018 -0.0018 0.0021 2321 ASN 41 OD1 -0.0019 -0.0019 0.0031 2322 ASN 41 ND2 -0.0019 -0.0017 0.0018 2323 ASN 41 H -0.0037 -0.0001 0.0019 2324 ASN 41 HA -0.0025 -0.0012 0.0019 2325 ASN 41 HB3 -0.0012 -0.0023 0.0012 2326 ASN 41 HB2 -0.0017 -0.0018 0.0003 2327 ASN 41 HD22 -0.0019 -0.0017 0.0024 2328 ASN 41 HD21 -0.0019 -0.0017 0.0009 2329 TYR 42 N -0.0018 -0.0017 -0.0000 2330 TYR 42 CA -0.0017 -0.0017 -0.0010 2331 TYR 42 C -0.0007 -0.0025 -0.0011 2332 TYR 42 O -0.0003 -0.0030 -0.0003 2333 TYR 42 CB -0.0023 -0.0012 -0.0010 2334 TYR 42 CG -0.0021 -0.0014 -0.0002 2335 TYR 42 CD1 -0.0024 -0.0012 0.0010 2336 TYR 42 CD2 -0.0017 -0.0017 -0.0005 2337 TYR 42 CE1 -0.0022 -0.0014 0.0018 2338 TYR 42 CE2 -0.0016 -0.0019 0.0003 2339 TYR 42 CZ -0.0019 -0.0017 0.0015 2340 TYR 42 OH -0.0017 -0.0019 0.0023 2341 TYR 42 H -0.0014 -0.0021 0.0006 2342 TYR 42 HA -0.0018 -0.0016 -0.0018 2343 TYR 42 HB3 -0.0029 -0.0006 -0.0009 2344 TYR 42 HB2 -0.0022 -0.0011 -0.0019 2345 TYR 42 HD1 -0.0027 -0.0010 0.0013 2346 TYR 42 HD2 -0.0016 -0.0018 -0.0014 2347 TYR 42 HE1 -0.0024 -0.0013 0.0027 2348 TYR 42 HE2 -0.0013 -0.0021 0.0001 2349 TYR 42 HH -0.0016 -0.0020 0.0019 2350 CYS 43 N -0.0020 -0.0055 -0.0014 2351 CYS 43 CA -0.0009 -0.0059 -0.0015 2352 CYS 43 C -0.0010 -0.0058 -0.0009 2353 CYS 43 O -0.0020 -0.0054 -0.0012 2354 CYS 43 CB -0.0005 -0.0063 -0.0029 2355 CYS 43 SG -0.0003 -0.0065 -0.0038 2356 CYS 43 H -0.0027 -0.0053 -0.0021 2357 CYS 43 HA -0.0002 -0.0062 -0.0009 2358 CYS 43 HB3 0.0003 -0.0067 -0.0030 2359 CYS 43 HB2 -0.0012 -0.0061 -0.0035 2360 SER 44 N -0.0001 -0.0061 -0.0002 2361 SER 44 CA -0.0001 -0.0060 0.0003 2362 SER 44 C 0.0012 -0.0065 0.0007 2363 SER 44 O 0.0020 -0.0067 0.0012 2364 SER 44 CB -0.0009 -0.0055 0.0016 2365 SER 44 OG -0.0008 -0.0054 0.0021 2366 SER 44 H 0.0007 -0.0064 -0.0000 2367 SER 44 HA -0.0005 -0.0059 -0.0004 2368 SER 44 HB3 -0.0005 -0.0055 0.0023 2369 SER 44 HB2 -0.0018 -0.0052 0.0013 2370 SER 44 HG -0.0016 -0.0052 0.0018 2371 GLY 45 N -0.0031 -0.0106 0.0038 2372 GLY 45 CA -0.0015 -0.0075 0.0049 2373 GLY 45 C -0.0022 -0.0071 0.0064 2374 GLY 45 O -0.0037 -0.0092 0.0064 2375 GLY 45 H -0.0049 -0.0120 0.0050 2376 GLY 45 HA3 0.0004 -0.0066 0.0029 2377 GLY 45 HA2 -0.0016 -0.0061 0.0065 2378 GLN 46 N -0.0010 -0.0042 0.0078 2379 GLN 46 CA -0.0014 -0.0034 0.0095 2380 GLN 46 C -0.0000 -0.0034 0.0073 2381 GLN 46 O 0.0019 -0.0028 0.0048 2382 GLN 46 CB -0.0006 -0.0002 0.0120 2383 GLN 46 CG -0.0018 0.0002 0.0143 2384 GLN 46 CD -0.0045 -0.0019 0.0163 2385 GLN 46 OE1 -0.0057 -0.0039 0.0160 2386 GLN 46 NE2 -0.0056 -0.0019 0.0180 2387 GLN 46 H 0.0003 -0.0025 0.0077 2388 GLN 46 HA -0.0033 -0.0050 0.0108 2389 GLN 46 HB3 -0.0010 0.0004 0.0133 2390 GLN 46 HB2 0.0014 0.0015 0.0107 2391 GLN 46 HG3 -0.0010 0.0025 0.0159 2392 GLN 46 HG2 -0.0012 -0.0001 0.0130 2393 GLN 46 HE22 -0.0074 -0.0033 0.0193 2394 GLN 46 HE21 -0.0046 -0.0004 0.0182 2395 CYS 47 N -0.0025 -0.0049 0.0089 2396 CYS 47 CA -0.0007 -0.0046 0.0065 2397 CYS 47 C 0.0000 -0.0027 0.0086 2398 CYS 47 O -0.0016 -0.0037 0.0095 2399 CYS 47 CB -0.0024 -0.0076 0.0042 2400 CYS 47 SG -0.0027 -0.0098 0.0008 2401 CYS 47 H -0.0043 -0.0056 0.0109 2402 CYS 47 HA 0.0013 -0.0036 0.0047 2403 CYS 47 HB3 -0.0014 -0.0073 0.0029 2404 CYS 47 HB2 -0.0047 -0.0088 0.0059 2405 GLU 48 N 0.0024 0.0002 0.0095 2406 GLU 48 CA 0.0033 0.0023 0.0116 2407 GLU 48 C 0.0062 0.0038 0.0093 2408 GLU 48 O 0.0079 0.0039 0.0066 2409 GLU 48 CB 0.0035 0.0044 0.0150 2410 GLU 48 CG 0.0005 0.0029 0.0176 2411 GLU 48 CD 0.0007 0.0044 0.0200 2412 GLU 48 OE1 0.0032 0.0068 0.0200 2413 GLU 48 OE2 -0.0017 0.0031 0.0218 2414 GLU 48 H 0.0037 0.0009 0.0087 2415 GLU 48 HA 0.0016 0.0010 0.0124 2416 GLU 48 HB3 0.0045 0.0061 0.0164 2417 GLU 48 HB2 0.0050 0.0055 0.0143 2418 GLU 48 HG3 -0.0009 0.0006 0.0160 2419 GLU 48 HG2 -0.0006 0.0028 0.0193 2420 TYR 49 N 0.0042 0.0040 0.0142 2421 TYR 49 CA 0.0066 0.0061 0.0124 2422 TYR 49 C 0.0072 0.0041 0.0083 2423 TYR 49 O 0.0054 0.0011 0.0076 2424 TYR 49 CB 0.0090 0.0097 0.0126 2425 TYR 49 CG 0.0085 0.0117 0.0167 2426 TYR 49 CD1 0.0085 0.0134 0.0192 2427 TYR 49 CD2 0.0079 0.0119 0.0181 2428 TYR 49 CE1 0.0080 0.0153 0.0229 2429 TYR 49 CE2 0.0074 0.0137 0.0219 2430 TYR 49 CZ 0.0075 0.0154 0.0243 2431 TYR 49 OH 0.0070 0.0172 0.0280 2432 TYR 49 H 0.0028 0.0037 0.0169 2433 TYR 49 HA 0.0061 0.0066 0.0141 2434 TYR 49 HB3 0.0107 0.0113 0.0112 2435 TYR 49 HB2 0.0096 0.0093 0.0108 2436 TYR 49 HD1 0.0089 0.0133 0.0182 2437 TYR 49 HD2 0.0079 0.0105 0.0162 2438 TYR 49 HE1 0.0080 0.0166 0.0248 2439 TYR 49 HE2 0.0070 0.0138 0.0229 2440 TYR 49 HH 0.0071 0.0182 0.0293 2441 MET 50 N 0.0097 0.0059 0.0055 2442 MET 50 CA 0.0105 0.0042 0.0015 2443 MET 50 C 0.0110 0.0032 -0.0012 2444 MET 50 O 0.0120 0.0022 -0.0048 2445 MET 50 CB 0.0129 0.0067 -0.0001 2446 MET 50 CG 0.0127 0.0081 0.0025 2447 MET 50 SD 0.0157 0.0111 0.0006 2448 MET 50 CE 0.0155 0.0080 -0.0037 2449 MET 50 H 0.0111 0.0083 0.0061 2450 MET 50 HA 0.0088 0.0018 0.0015 2451 MET 50 HB3 0.0134 0.0054 -0.0030 2452 MET 50 HB2 0.0147 0.0090 -0.0005 2453 MET 50 HG3 0.0122 0.0095 0.0054 2454 MET 50 HG2 0.0109 0.0059 0.0029 2455 MET 50 HE1 0.0172 0.0094 -0.0053 2456 MET 50 HE2 0.0156 0.0068 -0.0055 2457 MET 50 HE3 0.0136 0.0059 -0.0028 2458 PHE 51 N 0.0090 0.0017 0.0027 2459 PHE 51 CA 0.0095 0.0013 0.0009 2460 PHE 51 C 0.0078 -0.0021 -0.0016 2461 PHE 51 O 0.0053 -0.0044 -0.0007 2462 PHE 51 CB 0.0088 0.0022 0.0040 2463 PHE 51 CG 0.0105 0.0056 0.0064 2464 PHE 51 CD1 0.0135 0.0080 0.0048 2465 PHE 51 CD2 0.0092 0.0063 0.0103 2466 PHE 51 CE1 0.0152 0.0111 0.0070 2467 PHE 51 CE2 0.0109 0.0094 0.0125 2468 PHE 51 CZ 0.0138 0.0118 0.0109 2469 PHE 51 H 0.0081 0.0023 0.0055 2470 PHE 51 HA 0.0118 0.0028 -0.0008 2471 PHE 51 HB3 0.0091 0.0018 0.0027 2472 PHE 51 HB2 0.0065 0.0007 0.0058 2473 PHE 51 HD1 0.0146 0.0074 0.0018 2474 PHE 51 HD2 0.0069 0.0045 0.0116 2475 PHE 51 HE1 0.0175 0.0129 0.0057 2476 PHE 51 HE2 0.0098 0.0100 0.0156 2477 PHE 51 HZ 0.0151 0.0142 0.0126 2478 MET 52 N 0.0092 -0.0024 -0.0047 2479 MET 52 CA 0.0078 -0.0053 -0.0073 2480 MET 52 C 0.0065 -0.0077 -0.0088 2481 MET 52 O 0.0044 -0.0105 -0.0096 2482 MET 52 CB 0.0055 -0.0068 -0.0052 2483 MET 52 CG 0.0064 -0.0044 -0.0028 2484 MET 52 SD 0.0095 -0.0024 -0.0055 2485 MET 52 CE 0.0081 -0.0054 -0.0079 2486 MET 52 H 0.0113 -0.0004 -0.0055 2487 MET 52 HA 0.0095 -0.0049 -0.0096 2488 MET 52 HB3 0.0049 -0.0086 -0.0073 2489 MET 52 HB2 0.0035 -0.0080 -0.0035 2490 MET 52 HG3 0.0046 -0.0056 -0.0014 2491 MET 52 HG2 0.0068 -0.0027 -0.0006 2492 MET 52 HE1 0.0098 -0.0045 -0.0096 2493 MET 52 HE2 0.0064 -0.0061 -0.0058 2494 MET 52 HE3 0.0071 -0.0074 -0.0096 2495 GLN 53 N 0.0065 -0.0054 -0.0109 2496 GLN 53 CA 0.0058 -0.0075 -0.0104 2497 GLN 53 C 0.0070 -0.0080 -0.0128 2498 GLN 53 O 0.0082 -0.0059 -0.0141 2499 GLN 53 CB 0.0045 -0.0064 -0.0079 2500 GLN 53 CG 0.0030 -0.0066 -0.0054 2501 GLN 53 CD 0.0017 -0.0055 -0.0028 2502 GLN 53 OE1 0.0017 -0.0055 -0.0028 2503 GLN 53 NE2 0.0007 -0.0046 -0.0007 2504 GLN 53 H 0.0069 -0.0032 -0.0108 2505 GLN 53 HA 0.0051 -0.0097 -0.0102 2506 GLN 53 HB3 0.0041 -0.0077 -0.0077 2507 GLN 53 HB2 0.0051 -0.0040 -0.0079 2508 GLN 53 HG3 0.0033 -0.0054 -0.0055 2509 GLN 53 HG2 0.0024 -0.0090 -0.0053 2510 GLN 53 HE22 -0.0001 -0.0038 0.0010 2511 GLN 53 HE21 0.0008 -0.0046 -0.0009 2512 LYS 54 N 0.0067 -0.0108 -0.0133 2513 LYS 54 CA 0.0078 -0.0118 -0.0156 2514 LYS 54 C 0.0072 -0.0123 -0.0146 2515 LYS 54 O 0.0081 -0.0113 -0.0158 2516 LYS 54 CB 0.0081 -0.0147 -0.0171 2517 LYS 54 CG 0.0088 -0.0165 -0.0190 2518 LYS 54 CD 0.0089 -0.0194 -0.0203 2519 LYS 54 CE 0.0100 -0.0209 -0.0227 2520 LYS 54 NZ 0.0097 -0.0241 -0.0234 2521 LYS 54 H 0.0057 -0.0124 -0.0121 2522 LYS 54 HA 0.0090 -0.0100 -0.0169 2523 LYS 54 HB3 0.0069 -0.0162 -0.0156 2524 LYS 54 HB2 0.0088 -0.0142 -0.0181 2525 LYS 54 HG3 0.0100 -0.0151 -0.0206 2526 LYS 54 HG2 0.0081 -0.0171 -0.0180 2527 LYS 54 HD3 0.0077 -0.0209 -0.0188 2528 LYS 54 HD2 0.0094 -0.0188 -0.0209 2529 LYS 54 HE3 0.0113 -0.0196 -0.0244 2530 LYS 54 HE2 0.0097 -0.0209 -0.0222 2531 LYS 54 HZ1 0.0096 -0.0241 -0.0233 2532 LYS 54 HZ2 0.0087 -0.0255 -0.0222 2533 LYS 54 HZ3 0.0107 -0.0247 -0.0253 2534 TYR 55 N 0.0007 -0.0065 -0.0088 2535 TYR 55 CA 0.0007 -0.0058 -0.0069 2536 TYR 55 C 0.0002 -0.0053 -0.0062 2537 TYR 55 O 0.0008 -0.0058 -0.0067 2538 TYR 55 CB 0.0022 -0.0067 -0.0059 2539 TYR 55 CG 0.0026 -0.0070 -0.0062 2540 TYR 55 CD1 0.0015 -0.0062 -0.0062 2541 TYR 55 CD2 0.0040 -0.0082 -0.0065 2542 TYR 55 CE1 0.0018 -0.0066 -0.0065 2543 TYR 55 CE2 0.0043 -0.0085 -0.0068 2544 TYR 55 CZ 0.0032 -0.0077 -0.0068 2545 TYR 55 OH 0.0036 -0.0081 -0.0071 2546 TYR 55 H 0.0016 -0.0073 -0.0092 2547 TYR 55 HA -0.0001 -0.0051 -0.0067 2548 TYR 55 HB3 0.0023 -0.0062 -0.0044 2549 TYR 55 HB2 0.0031 -0.0074 -0.0062 2550 TYR 55 HD1 0.0004 -0.0053 -0.0060 2551 TYR 55 HD2 0.0049 -0.0088 -0.0065 2552 TYR 55 HE1 0.0010 -0.0059 -0.0065 2553 TYR 55 HE2 0.0054 -0.0094 -0.0070 2554 TYR 55 HH 0.0028 -0.0074 -0.0067 2555 PRO 56 N -0.0007 -0.0042 -0.0050 2556 PRO 56 CA -0.0013 -0.0035 -0.0043 2557 PRO 56 C -0.0001 -0.0041 -0.0031 2558 PRO 56 O -0.0003 -0.0038 -0.0028 2559 PRO 56 CB -0.0024 -0.0023 -0.0031 2560 PRO 56 CG -0.0019 -0.0026 -0.0027 2561 PRO 56 CD -0.0013 -0.0036 -0.0043 2562 PRO 56 HA -0.0019 -0.0034 -0.0053 2563 PRO 56 HB3 -0.0035 -0.0017 -0.0039 2564 PRO 56 HB2 -0.0023 -0.0020 -0.0019 2565 PRO 56 HG3 -0.0028 -0.0018 -0.0026 2566 PRO 56 HG2 -0.0010 -0.0029 -0.0016 2567 PRO 56 HD2 -0.0003 -0.0041 -0.0039 2568 PRO 56 HD3 -0.0022 -0.0032 -0.0053 2569 HIS 57 N -0.0005 -0.0011 -0.0031 2570 HIS 57 CA 0.0007 -0.0008 -0.0034 2571 HIS 57 C 0.0012 -0.0018 -0.0039 2572 HIS 57 O 0.0022 -0.0019 -0.0042 2573 HIS 57 CB 0.0008 0.0001 -0.0032 2574 HIS 57 CG 0.0019 0.0005 -0.0035 2575 HIS 57 ND1 0.0025 -0.0000 -0.0038 2576 HIS 57 CD2 0.0026 0.0013 -0.0035 2577 HIS 57 CE1 0.0035 0.0005 -0.0040 2578 HIS 57 NE2 0.0036 0.0013 -0.0038 2579 HIS 57 H -0.0011 -0.0007 -0.0028 2580 HIS 57 HA 0.0011 -0.0005 -0.0035 2581 HIS 57 HB3 0.0003 -0.0001 -0.0031 2582 HIS 57 HB2 0.0004 0.0008 -0.0029 2583 HIS 57 HD2 0.0024 0.0018 -0.0032 2584 HIS 57 HE1 0.0040 0.0002 -0.0043 2585 HIS 57 HE2 0.0042 0.0018 -0.0038 2586 THR 58 N 0.0007 -0.0025 -0.0039 2587 THR 58 CA 0.0011 -0.0034 -0.0043 2588 THR 58 C 0.0015 -0.0042 -0.0046 2589 THR 58 O 0.0024 -0.0045 -0.0050 2590 THR 58 CB 0.0003 -0.0041 -0.0042 2591 THR 58 OG1 -0.0001 -0.0034 -0.0039 2592 THR 58 CG2 0.0007 -0.0051 -0.0046 2593 THR 58 H -0.0001 -0.0023 -0.0036 2594 THR 58 HA 0.0018 -0.0032 -0.0044 2595 THR 58 HB -0.0004 -0.0044 -0.0040 2596 THR 58 HG1 0.0003 -0.0035 -0.0040 2597 THR 58 HG21 0.0001 -0.0055 -0.0045 2598 THR 58 HG22 0.0010 -0.0056 -0.0049 2599 THR 58 HG23 0.0014 -0.0048 -0.0048 2600 HIS 59 N 0.0012 -0.0014 -0.0003 2601 HIS 59 CA 0.0011 -0.0014 -0.0003 2602 HIS 59 C 0.0012 -0.0014 -0.0003 2603 HIS 59 O 0.0012 -0.0014 -0.0003 2604 HIS 59 CB 0.0009 -0.0015 -0.0003 2605 HIS 59 CG 0.0008 -0.0015 -0.0004 2606 HIS 59 ND1 0.0008 -0.0016 -0.0005 2607 HIS 59 CD2 0.0007 -0.0015 -0.0003 2608 HIS 59 CE1 0.0007 -0.0016 -0.0005 2609 HIS 59 NE2 0.0006 -0.0015 -0.0004 2610 HIS 59 H 0.0012 -0.0014 -0.0002 2611 HIS 59 HA 0.0011 -0.0015 -0.0005 2612 HIS 59 HB3 0.0009 -0.0014 -0.0002 2613 HIS 59 HB2 0.0009 -0.0015 -0.0004 2614 HIS 59 HD2 0.0007 -0.0014 -0.0002 2615 HIS 59 HE1 0.0007 -0.0016 -0.0006 2616 HIS 59 HE2 0.0006 -0.0015 -0.0004 2617 LEU 60 N 0.0012 -0.0013 -0.0001 2618 LEU 60 CA 0.0012 -0.0013 -0.0000 2619 LEU 60 C 0.0014 -0.0013 -0.0001 2620 LEU 60 O 0.0014 -0.0013 -0.0001 2621 LEU 60 CB 0.0012 -0.0012 0.0002 2622 LEU 60 CG 0.0010 -0.0012 0.0002 2623 LEU 60 CD1 0.0010 -0.0011 0.0004 2624 LEU 60 CD2 0.0009 -0.0012 0.0002 2625 LEU 60 H 0.0012 -0.0013 -0.0000 2626 LEU 60 HA 0.0011 -0.0013 -0.0000 2627 LEU 60 HB3 0.0013 -0.0012 0.0002 2628 LEU 60 HB2 0.0013 -0.0012 0.0002 2629 LEU 60 HG 0.0010 -0.0012 0.0001 2630 LEU 60 HD11 0.0009 -0.0011 0.0004 2631 LEU 60 HD12 0.0011 -0.0011 0.0004 2632 LEU 60 HD13 0.0011 -0.0011 0.0005 2633 LEU 60 HD21 0.0008 -0.0012 0.0003 2634 LEU 60 HD22 0.0010 -0.0012 0.0003 2635 LEU 60 HD23 0.0009 -0.0013 0.0001 2636 VAL 61 N 0.0015 0.0011 -0.0020 2637 VAL 61 CA 0.0015 0.0017 -0.0025 2638 VAL 61 C 0.0017 0.0011 -0.0025 2639 VAL 61 O 0.0020 0.0011 -0.0033 2640 VAL 61 CB 0.0009 0.0027 -0.0021 2641 VAL 61 CG1 0.0008 0.0032 -0.0025 2642 VAL 61 CG2 0.0006 0.0034 -0.0024 2643 VAL 61 H 0.0012 0.0013 -0.0013 2644 VAL 61 HA 0.0017 0.0019 -0.0034 2645 VAL 61 HB 0.0006 0.0025 -0.0012 2646 VAL 61 HG11 0.0003 0.0039 -0.0022 2647 VAL 61 HG12 0.0009 0.0027 -0.0023 2648 VAL 61 HG13 0.0010 0.0034 -0.0033 2649 VAL 61 HG21 0.0002 0.0041 -0.0020 2650 VAL 61 HG22 0.0008 0.0036 -0.0032 2651 VAL 61 HG23 0.0007 0.0031 -0.0020 2652 GLN 62 N 0.0017 0.0006 -0.0016 2653 GLN 62 CA 0.0019 -0.0001 -0.0015 2654 GLN 62 C 0.0025 -0.0008 -0.0023 2655 GLN 62 O 0.0028 -0.0010 -0.0027 2656 GLN 62 CB 0.0018 -0.0006 -0.0004 2657 GLN 62 CG 0.0012 0.0000 0.0004 2658 GLN 62 CD 0.0010 -0.0005 0.0015 2659 GLN 62 OE1 0.0010 -0.0007 0.0019 2660 GLN 62 NE2 0.0010 -0.0007 0.0020 2661 GLN 62 H 0.0014 0.0006 -0.0010 2662 GLN 62 HA 0.0018 0.0004 -0.0016 2663 GLN 62 HB3 0.0021 -0.0013 -0.0004 2664 GLN 62 HB2 0.0018 -0.0009 -0.0001 2665 GLN 62 HG3 0.0009 0.0007 0.0003 2666 GLN 62 HG2 0.0012 0.0002 0.0002 2667 GLN 62 HE22 0.0009 -0.0011 0.0027 2668 GLN 62 HE21 0.0010 -0.0005 0.0016 2669 GLN 63 N 0.0011 0.0002 -0.0020 2670 GLN 63 CA 0.0009 -0.0006 -0.0027 2671 GLN 63 C 0.0010 -0.0002 -0.0035 2672 GLN 63 O 0.0009 -0.0005 -0.0044 2673 GLN 63 CB 0.0008 -0.0014 -0.0021 2674 GLN 63 CG 0.0006 -0.0019 -0.0014 2675 GLN 63 CD 0.0004 -0.0029 -0.0011 2676 GLN 63 OE1 0.0004 -0.0029 -0.0006 2677 GLN 63 NE2 0.0002 -0.0037 -0.0014 2678 GLN 63 H 0.0011 0.0003 -0.0014 2679 GLN 63 HA 0.0008 -0.0009 -0.0030 2680 GLN 63 HB3 0.0006 -0.0019 -0.0026 2681 GLN 63 HB2 0.0008 -0.0010 -0.0016 2682 GLN 63 HG3 0.0007 -0.0015 -0.0007 2683 GLN 63 HG2 0.0006 -0.0021 -0.0018 2684 GLN 63 HE22 0.0001 -0.0044 -0.0012 2685 GLN 63 HE21 0.0003 -0.0037 -0.0018 2686 ALA 64 N 0.0011 0.0004 -0.0033 2687 ALA 64 CA 0.0012 0.0008 -0.0041 2688 ALA 64 C 0.0014 0.0014 -0.0048 2689 ALA 64 O 0.0014 0.0015 -0.0057 2690 ALA 64 CB 0.0013 0.0013 -0.0036 2691 ALA 64 H 0.0012 0.0006 -0.0026 2692 ALA 64 HA 0.0011 0.0002 -0.0045 2693 ALA 64 HB1 0.0014 0.0016 -0.0042 2694 ALA 64 HB2 0.0012 0.0008 -0.0031 2695 ALA 64 HB3 0.0015 0.0019 -0.0031 2696 ASN 65 N 0.0008 0.0033 -0.0046 2697 ASN 65 CA 0.0006 0.0048 -0.0053 2698 ASN 65 C 0.0004 0.0057 -0.0066 2699 ASN 65 O 0.0000 0.0058 -0.0080 2700 ASN 65 CB 0.0005 0.0043 -0.0060 2701 ASN 65 CG 0.0004 0.0058 -0.0064 2702 ASN 65 OD1 0.0001 0.0056 -0.0075 2703 ASN 65 ND2 0.0006 0.0071 -0.0057 2704 ASN 65 H 0.0011 0.0032 -0.0034 2705 ASN 65 HA 0.0009 0.0057 -0.0043 2706 ASN 65 HB3 0.0002 0.0036 -0.0071 2707 ASN 65 HB2 0.0007 0.0035 -0.0052 2708 ASN 65 HD22 0.0005 0.0081 -0.0060 2709 ASN 65 HD21 0.0008 0.0073 -0.0049 2710 PRO 66 N 0.0005 0.0064 -0.0061 2711 PRO 66 CA 0.0002 0.0072 -0.0073 2712 PRO 66 C 0.0001 0.0089 -0.0077 2713 PRO 66 O 0.0003 0.0096 -0.0069 2714 PRO 66 CB 0.0004 0.0073 -0.0064 2715 PRO 66 CG 0.0008 0.0074 -0.0047 2716 PRO 66 CD 0.0009 0.0064 -0.0044 2717 PRO 66 HA -0.0001 0.0064 -0.0084 2718 PRO 66 HB3 0.0004 0.0061 -0.0066 2719 PRO 66 HB2 0.0003 0.0084 -0.0068 2720 PRO 66 HG3 0.0010 0.0069 -0.0039 2721 PRO 66 HG2 0.0009 0.0087 -0.0044 2722 PRO 66 HD2 0.0011 0.0071 -0.0036 2723 PRO 66 HD3 0.0009 0.0052 -0.0041 2724 ARG 67 N -0.0132 0.0131 -0.0036 2725 ARG 67 CA -0.0125 0.0146 -0.0047 2726 ARG 67 C -0.0076 0.0140 -0.0051 2727 ARG 67 O -0.0055 0.0108 -0.0034 2728 ARG 67 CB -0.0155 0.0127 -0.0030 2729 ARG 67 CG -0.0191 0.0155 -0.0042 2730 ARG 67 CD -0.0222 0.0133 -0.0023 2731 ARG 67 NE -0.0196 0.0108 -0.0012 2732 ARG 67 CZ -0.0204 0.0071 0.0012 2733 ARG 67 NH1 -0.0237 0.0056 0.0027 2734 ARG 67 NH2 -0.0179 0.0050 0.0022 2735 ARG 67 H -0.0152 0.0110 -0.0020 2736 ARG 67 HA -0.0135 0.0177 -0.0064 2737 ARG 67 HB3 -0.0134 0.0114 -0.0025 2738 ARG 67 HB2 -0.0171 0.0104 -0.0013 2739 ARG 67 HG3 -0.0211 0.0170 -0.0048 2740 ARG 67 HG2 -0.0176 0.0177 -0.0058 2741 ARG 67 HD3 -0.0243 0.0117 -0.0010 2742 ARG 67 HD2 -0.0244 0.0154 -0.0033 2743 ARG 67 HE -0.0171 0.0119 -0.0023 2744 ARG 67 HH12 -0.0243 0.0028 0.0045 2745 ARG 67 HH11 -0.0257 0.0072 0.0020 2746 ARG 67 HH22 -0.0185 0.0022 0.0040 2747 ARG 67 HH21 -0.0153 0.0061 0.0011 2748 GLY 68 N -0.0057 0.0171 -0.0073 2749 GLY 68 CA -0.0011 0.0169 -0.0079 2750 GLY 68 C 0.0024 0.0174 -0.0088 2751 GLY 68 O 0.0064 0.0170 -0.0091 2752 GLY 68 H -0.0075 0.0197 -0.0086 2753 GLY 68 HA3 -0.0004 0.0142 -0.0063 2754 GLY 68 HA2 -0.0009 0.0191 -0.0093 2755 SER 69 N 0.0048 0.0102 -0.0061 2756 SER 69 CA 0.0026 0.0100 -0.0064 2757 SER 69 C 0.0022 0.0080 -0.0075 2758 SER 69 O 0.0025 0.0069 -0.0080 2759 SER 69 CB 0.0014 0.0109 -0.0060 2760 SER 69 OG 0.0014 0.0098 -0.0066 2761 SER 69 H 0.0054 0.0103 -0.0060 2762 SER 69 HA 0.0022 0.0106 -0.0061 2763 SER 69 HB3 0.0021 0.0122 -0.0053 2764 SER 69 HB2 -0.0002 0.0112 -0.0060 2765 SER 69 HG 0.0025 0.0100 -0.0064 2766 ALA 70 N 0.0015 0.0074 -0.0078 2767 ALA 70 CA 0.0011 0.0055 -0.0089 2768 ALA 70 C -0.0009 0.0048 -0.0094 2769 ALA 70 O -0.0013 0.0032 -0.0103 2770 ALA 70 CB 0.0013 0.0051 -0.0091 2771 ALA 70 H 0.0011 0.0083 -0.0074 2772 ALA 70 HA 0.0024 0.0047 -0.0092 2773 ALA 70 HB1 0.0010 0.0037 -0.0098 2774 ALA 70 HB2 0.0028 0.0054 -0.0088 2775 ALA 70 HB3 0.0001 0.0059 -0.0087 2776 GLY 71 N -0.0050 -0.0039 -0.0016 2777 GLY 71 CA -0.0041 -0.0040 -0.0012 2778 GLY 71 C -0.0041 -0.0040 -0.0013 2779 GLY 71 O -0.0047 -0.0039 -0.0015 2780 GLY 71 H -0.0051 -0.0042 -0.0022 2781 GLY 71 HA3 -0.0041 -0.0037 -0.0006 2782 GLY 71 HA2 -0.0036 -0.0042 -0.0016 2783 PRO 72 N -0.0033 -0.0041 -0.0010 2784 PRO 72 CA -0.0032 -0.0041 -0.0011 2785 PRO 72 C -0.0038 -0.0037 -0.0005 2786 PRO 72 O -0.0039 -0.0034 0.0002 2787 PRO 72 CB -0.0023 -0.0042 -0.0009 2788 PRO 72 CG -0.0018 -0.0043 -0.0009 2789 PRO 72 CD -0.0025 -0.0041 -0.0007 2790 PRO 72 HA -0.0034 -0.0043 -0.0017 2791 PRO 72 HB3 -0.0020 -0.0045 -0.0013 2792 PRO 72 HB2 -0.0022 -0.0040 -0.0002 2793 PRO 72 HG3 -0.0017 -0.0046 -0.0016 2794 PRO 72 HG2 -0.0013 -0.0043 -0.0005 2795 PRO 72 HD2 -0.0025 -0.0038 -0.0001 2796 PRO 72 HD3 -0.0024 -0.0043 -0.0011 2797 CYS 73 N 0.0002 -0.0083 -0.0060 2798 CYS 73 CA -0.0006 -0.0084 -0.0054 2799 CYS 73 C -0.0011 -0.0085 -0.0049 2800 CYS 73 O -0.0011 -0.0082 -0.0052 2801 CYS 73 CB -0.0012 -0.0078 -0.0058 2802 CYS 73 SG -0.0017 -0.0069 -0.0065 2803 CYS 73 H 0.0002 -0.0079 -0.0065 2804 CYS 73 HA -0.0003 -0.0089 -0.0049 2805 CYS 73 HB3 -0.0008 -0.0078 -0.0060 2806 CYS 73 HB2 -0.0018 -0.0079 -0.0053 2807 CYS 74 N -0.0016 -0.0089 -0.0041 2808 CYS 74 CA -0.0022 -0.0089 -0.0036 2809 CYS 74 C -0.0031 -0.0083 -0.0038 2810 CYS 74 O -0.0036 -0.0081 -0.0037 2811 CYS 74 CB -0.0024 -0.0096 -0.0027 2812 CYS 74 SG -0.0030 -0.0098 -0.0020 2813 CYS 74 H -0.0015 -0.0091 -0.0039 2814 CYS 74 HA -0.0019 -0.0090 -0.0037 2815 CYS 74 HB3 -0.0028 -0.0095 -0.0025 2816 CYS 74 HB2 -0.0017 -0.0100 -0.0025 2817 THR 75 N -0.0018 -0.0084 -0.0083 2818 THR 75 CA -0.0022 -0.0079 -0.0085 2819 THR 75 C -0.0017 -0.0082 -0.0078 2820 THR 75 O -0.0010 -0.0090 -0.0075 2821 THR 75 CB -0.0025 -0.0081 -0.0098 2822 THR 75 OG1 -0.0031 -0.0073 -0.0101 2823 THR 75 CG2 -0.0019 -0.0091 -0.0101 2824 THR 75 H -0.0012 -0.0091 -0.0082 2825 THR 75 HA -0.0026 -0.0070 -0.0083 2826 THR 75 HB -0.0027 -0.0081 -0.0103 2827 THR 75 HG1 -0.0035 -0.0072 -0.0108 2828 THR 75 HG21 -0.0022 -0.0093 -0.0110 2829 THR 75 HG22 -0.0015 -0.0097 -0.0100 2830 THR 75 HG23 -0.0017 -0.0091 -0.0096 2831 PRO 76 N -0.0020 -0.0075 -0.0076 2832 PRO 76 CA -0.0016 -0.0078 -0.0069 2833 PRO 76 C -0.0012 -0.0088 -0.0075 2834 PRO 76 O -0.0015 -0.0089 -0.0085 2835 PRO 76 CB -0.0021 -0.0069 -0.0068 2836 PRO 76 CG -0.0027 -0.0060 -0.0069 2837 PRO 76 CD -0.0028 -0.0065 -0.0077 2838 PRO 76 HA -0.0012 -0.0079 -0.0061 2839 PRO 76 HB3 -0.0019 -0.0068 -0.0060 2840 PRO 76 HB2 -0.0023 -0.0070 -0.0075 2841 PRO 76 HG3 -0.0026 -0.0058 -0.0060 2842 PRO 76 HG2 -0.0032 -0.0055 -0.0072 2843 PRO 76 HD2 -0.0031 -0.0065 -0.0086 2844 PRO 76 HD3 -0.0029 -0.0061 -0.0075 2845 THR 77 N 0.0010 -0.0111 -0.0100 2846 THR 77 CA 0.0021 -0.0135 -0.0112 2847 THR 77 C 0.0020 -0.0129 -0.0090 2848 THR 77 O 0.0027 -0.0144 -0.0098 2849 THR 77 CB 0.0040 -0.0171 -0.0108 2850 THR 77 OG1 0.0045 -0.0175 -0.0071 2851 THR 77 CG2 0.0042 -0.0180 -0.0135 2852 THR 77 H 0.0013 -0.0113 -0.0075 2853 THR 77 HA 0.0017 -0.0131 -0.0141 2854 THR 77 HB 0.0048 -0.0187 -0.0114 2855 THR 77 HG1 0.0038 -0.0161 -0.0066 2856 THR 77 HG21 0.0055 -0.0205 -0.0131 2857 THR 77 HG22 0.0038 -0.0177 -0.0163 2858 THR 77 HG23 0.0034 -0.0163 -0.0129 2859 LYS 78 N 0.0011 -0.0107 -0.0062 2860 LYS 78 CA 0.0008 -0.0097 -0.0040 2861 LYS 78 C -0.0009 -0.0062 -0.0024 2862 LYS 78 O -0.0011 -0.0054 -0.0007 2863 LYS 78 CB 0.0023 -0.0121 -0.0010 2864 LYS 78 CG 0.0020 -0.0113 0.0010 2865 LYS 78 CD 0.0035 -0.0135 0.0041 2866 LYS 78 CE 0.0031 -0.0125 0.0063 2867 LYS 78 NZ 0.0045 -0.0147 0.0094 2868 LYS 78 H 0.0007 -0.0098 -0.0054 2869 LYS 78 HA 0.0006 -0.0097 -0.0059 2870 LYS 78 HB3 0.0024 -0.0119 0.0010 2871 LYS 78 HB2 0.0035 -0.0146 -0.0021 2872 LYS 78 HG3 0.0020 -0.0115 -0.0010 2873 LYS 78 HG2 0.0008 -0.0087 0.0021 2874 LYS 78 HD3 0.0036 -0.0135 0.0060 2875 LYS 78 HD2 0.0047 -0.0161 0.0030 2876 LYS 78 HE3 0.0030 -0.0126 0.0045 2877 LYS 78 HE2 0.0019 -0.0100 0.0074 2878 LYS 78 HZ1 0.0046 -0.0146 0.0111 2879 LYS 78 HZ2 0.0043 -0.0140 0.0108 2880 LYS 78 HZ3 0.0056 -0.0170 0.0084 2881 MET 79 N -0.0029 -0.0042 -0.0013 2882 MET 79 CA -0.0047 -0.0018 -0.0002 2883 MET 79 C -0.0069 -0.0003 0.0020 2884 MET 79 O -0.0069 -0.0000 0.0018 2885 MET 79 CB -0.0043 0.0009 -0.0030 2886 MET 79 CG -0.0021 -0.0004 -0.0054 2887 MET 79 SD -0.0024 -0.0015 -0.0042 2888 MET 79 CE -0.0039 0.0025 -0.0048 2889 MET 79 H -0.0026 -0.0035 -0.0023 2890 MET 79 HA -0.0049 -0.0030 0.0009 2891 MET 79 HB3 -0.0057 0.0026 -0.0021 2892 MET 79 HB2 -0.0043 0.0023 -0.0040 2893 MET 79 HG3 -0.0017 0.0015 -0.0075 2894 MET 79 HG2 -0.0008 -0.0025 -0.0058 2895 MET 79 HE1 -0.0042 0.0023 -0.0041 2896 MET 79 HE2 -0.0030 0.0038 -0.0072 2897 MET 79 HE3 -0.0055 0.0039 -0.0034 2898 SER 80 N -0.0088 0.0006 0.0041 2899 SER 80 CA -0.0110 0.0024 0.0062 2900 SER 80 C -0.0124 0.0057 0.0059 2901 SER 80 O -0.0120 0.0060 0.0051 2902 SER 80 CB -0.0122 0.0004 0.0096 2903 SER 80 OG -0.0114 -0.0020 0.0102 2904 SER 80 H -0.0086 0.0001 0.0043 2905 SER 80 HA -0.0108 0.0028 0.0056 2906 SER 80 HB3 -0.0139 0.0021 0.0111 2907 SER 80 HB2 -0.0119 -0.0008 0.0100 2908 SER 80 HG -0.0099 -0.0038 0.0093 2909 PRO 81 N -0.0182 0.0162 0.0109 2910 PRO 81 CA -0.0159 0.0171 0.0111 2911 PRO 81 C -0.0170 0.0154 0.0100 2912 PRO 81 O -0.0197 0.0138 0.0093 2913 PRO 81 CB -0.0165 0.0200 0.0138 2914 PRO 81 CG -0.0202 0.0200 0.0147 2915 PRO 81 CD -0.0210 0.0178 0.0131 2916 PRO 81 HA -0.0132 0.0170 0.0104 2917 PRO 81 HB3 -0.0148 0.0214 0.0145 2918 PRO 81 HB2 -0.0162 0.0206 0.0142 2919 PRO 81 HG3 -0.0205 0.0219 0.0165 2920 PRO 81 HG2 -0.0219 0.0194 0.0147 2921 PRO 81 HD2 -0.0234 0.0165 0.0126 2922 PRO 81 HD3 -0.0207 0.0188 0.0138 2923 ILE 82 N -0.0148 0.0158 0.0097 2924 ILE 82 CA -0.0160 0.0149 0.0093 2925 ILE 82 C -0.0149 0.0173 0.0110 2926 ILE 82 O -0.0124 0.0191 0.0119 2927 ILE 82 CB -0.0146 0.0124 0.0067 2928 ILE 82 CG1 -0.0106 0.0129 0.0061 2929 ILE 82 CG2 -0.0161 0.0099 0.0050 2930 ILE 82 CD1 -0.0091 0.0108 0.0039 2931 ILE 82 H -0.0123 0.0166 0.0098 2932 ILE 82 HA -0.0188 0.0145 0.0096 2933 ILE 82 HB -0.0154 0.0121 0.0067 2934 ILE 82 HG13 -0.0097 0.0149 0.0076 2935 ILE 82 HG12 -0.0097 0.0129 0.0059 2936 ILE 82 HG21 -0.0150 0.0082 0.0032 2937 ILE 82 HG22 -0.0189 0.0096 0.0054 2938 ILE 82 HG23 -0.0154 0.0103 0.0051 2939 ILE 82 HD11 -0.0063 0.0113 0.0036 2940 ILE 82 HD12 -0.0099 0.0109 0.0042 2941 ILE 82 HD13 -0.0100 0.0088 0.0024 2942 ASN 83 N -0.0143 0.0206 0.0047 2943 ASN 83 CA -0.0118 0.0188 0.0054 2944 ASN 83 C -0.0084 0.0155 0.0041 2945 ASN 83 O -0.0084 0.0143 0.0007 2946 ASN 83 CB -0.0135 0.0193 0.0029 2947 ASN 83 CG -0.0168 0.0226 0.0044 2948 ASN 83 OD1 -0.0199 0.0241 0.0013 2949 ASN 83 ND2 -0.0167 0.0238 0.0082 2950 ASN 83 H -0.0163 0.0212 0.0018 2951 ASN 83 HA -0.0112 0.0196 0.0089 2952 ASN 83 HB3 -0.0115 0.0178 0.0034 2953 ASN 83 HB2 -0.0141 0.0186 -0.0006 2954 ASN 83 HD22 -0.0189 0.0260 0.0091 2955 ASN 83 HD21 -0.0143 0.0226 0.0104 2956 MET 84 N -0.0053 0.0139 0.0068 2957 MET 84 CA -0.0019 0.0107 0.0058 2958 MET 84 C 0.0008 0.0087 0.0065 2959 MET 84 O 0.0008 0.0097 0.0094 2960 MET 84 CB -0.0003 0.0103 0.0086 2961 MET 84 CG -0.0026 0.0120 0.0077 2962 MET 84 SD -0.0005 0.0112 0.0105 2963 MET 84 CE 0.0025 0.0075 0.0070 2964 MET 84 H -0.0054 0.0150 0.0096 2965 MET 84 HA -0.0024 0.0099 0.0024 2966 MET 84 HB3 0.0023 0.0079 0.0079 2967 MET 84 HB2 0.0002 0.0112 0.0120 2968 MET 84 HG3 -0.0051 0.0144 0.0088 2969 MET 84 HG2 -0.0034 0.0114 0.0042 2970 MET 84 HE1 0.0040 0.0067 0.0083 2971 MET 84 HE2 0.0043 0.0059 0.0069 2972 MET 84 HE3 0.0009 0.0076 0.0037 2973 LEU 85 N 0.0078 0.0042 0.0046 2974 LEU 85 CA 0.0084 0.0023 0.0044 2975 LEU 85 C 0.0091 0.0008 0.0058 2976 LEU 85 O 0.0092 0.0003 0.0056 2977 LEU 85 CB 0.0082 0.0015 0.0020 2978 LEU 85 CG 0.0085 -0.0000 0.0013 2979 LEU 85 CD1 0.0083 0.0010 0.0016 2980 LEU 85 CD2 0.0084 -0.0009 -0.0010 2981 LEU 85 H 0.0077 0.0042 0.0041 2982 LEU 85 HA 0.0084 0.0027 0.0049 2983 LEU 85 HB3 0.0083 0.0008 0.0015 2984 LEU 85 HB2 0.0076 0.0029 0.0009 2985 LEU 85 HG 0.0092 -0.0014 0.0024 2986 LEU 85 HD11 0.0086 -0.0002 0.0011 2987 LEU 85 HD12 0.0084 0.0015 0.0033 2988 LEU 85 HD13 0.0077 0.0023 0.0005 2989 LEU 85 HD21 0.0086 -0.0020 -0.0015 2990 LEU 85 HD22 0.0078 0.0004 -0.0021 2991 LEU 85 HD23 0.0086 -0.0017 -0.0011 2992 TYR 86 N 0.0097 -0.0000 0.0073 2993 TYR 86 CA 0.0104 -0.0013 0.0090 2994 TYR 86 C 0.0110 -0.0029 0.0098 2995 TYR 86 O 0.0109 -0.0027 0.0094 2996 TYR 86 CB 0.0103 0.0001 0.0109 2997 TYR 86 CG 0.0100 0.0015 0.0119 2998 TYR 86 CD1 0.0093 0.0035 0.0112 2999 TYR 86 CD2 0.0106 0.0008 0.0136 3000 TYR 86 CE1 0.0090 0.0048 0.0121 3001 TYR 86 CE2 0.0103 0.0021 0.0145 3002 TYR 86 CZ 0.0096 0.0041 0.0138 3003 TYR 86 OH 0.0093 0.0053 0.0147 3004 TYR 86 H 0.0096 0.0002 0.0073 3005 TYR 86 HA 0.0105 -0.0022 0.0083 3006 TYR 86 HB3 0.0099 0.0011 0.0103 3007 TYR 86 HB2 0.0108 -0.0008 0.0121 3008 TYR 86 HD1 0.0088 0.0041 0.0098 3009 TYR 86 HD2 0.0111 -0.0007 0.0142 3010 TYR 86 HE1 0.0084 0.0063 0.0114 3011 TYR 86 HE2 0.0107 0.0016 0.0159 3012 TYR 86 HH 0.0089 0.0063 0.0136 3013 PHE 87 N 0.0139 -0.0022 0.0110 3014 PHE 87 CA 0.0101 -0.0043 0.0090 3015 PHE 87 C 0.0109 -0.0041 0.0083 3016 PHE 87 O 0.0118 -0.0031 0.0117 3017 PHE 87 CB 0.0060 -0.0058 0.0123 3018 PHE 87 CG 0.0044 -0.0065 0.0125 3019 PHE 87 CD1 0.0021 -0.0082 0.0088 3020 PHE 87 CD2 0.0053 -0.0055 0.0164 3021 PHE 87 CE1 0.0007 -0.0089 0.0090 3022 PHE 87 CE2 0.0038 -0.0061 0.0166 3023 PHE 87 CZ 0.0015 -0.0078 0.0128 3024 PHE 87 H 0.0140 -0.0016 0.0147 3025 PHE 87 HA 0.0097 -0.0051 0.0055 3026 PHE 87 HB3 0.0033 -0.0072 0.0111 3027 PHE 87 HB2 0.0065 -0.0049 0.0159 3028 PHE 87 HD1 0.0014 -0.0090 0.0057 3029 PHE 87 HD2 0.0071 -0.0042 0.0193 3030 PHE 87 HE1 -0.0012 -0.0102 0.0061 3031 PHE 87 HE2 0.0045 -0.0054 0.0196 3032 PHE 87 HZ 0.0004 -0.0083 0.0130 3033 ASN 88 N 0.0103 -0.0050 0.0039 3034 ASN 88 CA 0.0105 -0.0050 0.0032 3035 ASN 88 C 0.0059 -0.0070 0.0048 3036 ASN 88 O 0.0030 -0.0081 0.0066 3037 ASN 88 CB 0.0119 -0.0052 -0.0021 3038 ASN 88 CG 0.0086 -0.0073 -0.0057 3039 ASN 88 OD1 0.0050 -0.0089 -0.0044 3040 ASN 88 ND2 0.0100 -0.0074 -0.0104 3041 ASN 88 H 0.0099 -0.0057 0.0011 3042 ASN 88 HA 0.0129 -0.0035 0.0055 3043 ASN 88 HB3 0.0151 -0.0038 -0.0031 3044 ASN 88 HB2 0.0123 -0.0051 -0.0025 3045 ASN 88 HD22 0.0081 -0.0087 -0.0130 3046 ASN 88 HD21 0.0130 -0.0061 -0.0113 3047 ASP 89 N 0.0197 -0.0055 0.0046 3048 ASP 89 CA 0.0057 -0.0068 0.0054 3049 ASP 89 C -0.0120 -0.0079 -0.0006 3050 ASP 89 O -0.0256 -0.0096 0.0056 3051 ASP 89 CB 0.0105 -0.0056 -0.0052 3052 ASP 89 CG 0.0242 -0.0050 0.0039 3053 ASP 89 OD1 0.0267 -0.0059 0.0199 3054 ASP 89 OD2 0.0324 -0.0037 -0.0048 3055 ASP 89 H 0.0305 -0.0040 -0.0023 3056 ASP 89 HA 0.0044 -0.0078 0.0189 3057 ASP 89 HB3 -0.0011 -0.0065 -0.0076 3058 ASP 89 HB2 0.0154 -0.0043 -0.0179 3059 LYS 90 N -0.0119 -0.0071 -0.0127 3060 LYS 90 CA -0.0281 -0.0080 -0.0191 3061 LYS 90 C -0.0342 -0.0094 -0.0069 3062 LYS 90 O -0.0470 -0.0103 -0.0107 3063 LYS 90 CB -0.0257 -0.0065 -0.0373 3064 LYS 90 CG -0.0207 -0.0051 -0.0510 3065 LYS 90 CD -0.0108 -0.0032 -0.0654 3066 LYS 90 CE -0.0099 -0.0020 -0.0819 3067 LYS 90 NZ -0.0064 -0.0006 -0.0973 3068 LYS 90 H -0.0005 -0.0057 -0.0175 3069 LYS 90 HA -0.0380 -0.0089 -0.0196 3070 LYS 90 HB3 -0.0377 -0.0073 -0.0414 3071 LYS 90 HB2 -0.0161 -0.0057 -0.0369 3072 LYS 90 HG3 -0.0123 -0.0048 -0.0452 3073 LYS 90 HG2 -0.0323 -0.0058 -0.0564 3074 LYS 90 HD3 -0.0172 -0.0036 -0.0684 3075 LYS 90 HD2 0.0023 -0.0024 -0.0610 3076 LYS 90 HE3 0.0004 -0.0012 -0.0805 3077 LYS 90 HE2 -0.0222 -0.0029 -0.0838 3078 LYS 90 HZ1 -0.0160 -0.0013 -0.0987 3079 LYS 90 HZ2 -0.0058 0.0002 -0.1081 3080 LYS 90 HZ3 0.0051 0.0003 -0.0956 3081 GLN 91 N -0.0121 -0.0117 -0.0005 3082 GLN 91 CA -0.0142 -0.0128 0.0059 3083 GLN 91 C -0.0144 -0.0123 0.0034 3084 GLN 91 O -0.0188 -0.0127 0.0064 3085 GLN 91 CB -0.0221 -0.0131 0.0093 3086 GLN 91 CG -0.0226 -0.0136 0.0118 3087 GLN 91 CD -0.0165 -0.0148 0.0177 3088 GLN 91 OE1 -0.0137 -0.0157 0.0221 3089 GLN 91 NE2 -0.0144 -0.0150 0.0179 3090 GLN 91 H -0.0072 -0.0120 0.0001 3091 GLN 91 HA -0.0099 -0.0138 0.0104 3092 GLN 91 HB3 -0.0235 -0.0139 0.0142 3093 GLN 91 HB2 -0.0267 -0.0122 0.0051 3094 GLN 91 HG3 -0.0283 -0.0138 0.0141 3095 GLN 91 HG2 -0.0219 -0.0127 0.0068 3096 GLN 91 HE22 -0.0103 -0.0158 0.0217 3097 GLN 91 HE21 -0.0168 -0.0142 0.0143 3098 GLN 92 N -0.0096 -0.0115 -0.0024 3099 GLN 92 CA -0.0085 -0.0111 -0.0047 3100 GLN 92 C -0.0024 -0.0122 0.0003 3101 GLN 92 O 0.0031 -0.0129 0.0027 3102 GLN 92 CB -0.0061 -0.0097 -0.0132 3103 GLN 92 CG -0.0120 -0.0085 -0.0186 3104 GLN 92 CD -0.0088 -0.0072 -0.0267 3105 GLN 92 OE1 -0.0021 -0.0072 -0.0279 3106 GLN 92 NE2 -0.0137 -0.0060 -0.0324 3107 GLN 92 H -0.0066 -0.0111 -0.0052 3108 GLN 92 HA -0.0140 -0.0110 -0.0040 3109 GLN 92 HB3 -0.0050 -0.0095 -0.0147 3110 GLN 92 HB2 -0.0006 -0.0098 -0.0140 3111 GLN 92 HG3 -0.0139 -0.0088 -0.0166 3112 GLN 92 HG2 -0.0172 -0.0083 -0.0187 3113 GLN 92 HE22 -0.0119 -0.0051 -0.0379 3114 GLN 92 HE21 -0.0193 -0.0060 -0.0312 3115 ILE 93 N 0.0057 -0.0091 0.0030 3116 ILE 93 CA 0.0080 -0.0069 0.0034 3117 ILE 93 C 0.0098 -0.0065 0.0020 3118 ILE 93 O 0.0107 -0.0077 -0.0002 3119 ILE 93 CB 0.0092 -0.0067 0.0025 3120 ILE 93 CG1 0.0073 -0.0071 0.0038 3121 ILE 93 CG2 0.0115 -0.0045 0.0030 3122 ILE 93 CD1 0.0081 -0.0074 0.0026 3123 ILE 93 H 0.0054 -0.0103 0.0017 3124 ILE 93 HA 0.0076 -0.0057 0.0053 3125 ILE 93 HB 0.0096 -0.0079 0.0005 3126 ILE 93 HG13 0.0055 -0.0085 0.0038 3127 ILE 93 HG12 0.0071 -0.0058 0.0057 3128 ILE 93 HG21 0.0123 -0.0043 0.0023 3129 ILE 93 HG22 0.0128 -0.0042 0.0020 3130 ILE 93 HG23 0.0111 -0.0032 0.0049 3131 ILE 93 HD11 0.0067 -0.0077 0.0036 3132 ILE 93 HD12 0.0083 -0.0088 0.0007 3133 ILE 93 HD13 0.0099 -0.0060 0.0027 3134 ILE 94 N 0.0104 -0.0050 0.0034 3135 ILE 94 CA 0.0120 -0.0045 0.0024 3136 ILE 94 C 0.0143 -0.0022 0.0030 3137 ILE 94 O 0.0141 -0.0007 0.0051 3138 ILE 94 CB 0.0107 -0.0049 0.0033 3139 ILE 94 CG1 0.0084 -0.0072 0.0027 3140 ILE 94 CG2 0.0124 -0.0044 0.0022 3141 ILE 94 CD1 0.0089 -0.0090 -0.0001 3142 ILE 94 H 0.0097 -0.0040 0.0053 3143 ILE 94 HA 0.0126 -0.0057 0.0004 3144 ILE 94 HB 0.0101 -0.0038 0.0053 3145 ILE 94 HG13 0.0073 -0.0073 0.0035 3146 ILE 94 HG12 0.0071 -0.0075 0.0036 3147 ILE 94 HG21 0.0114 -0.0046 0.0029 3148 ILE 94 HG22 0.0139 -0.0027 0.0028 3149 ILE 94 HG23 0.0131 -0.0054 0.0002 3150 ILE 94 HD11 0.0071 -0.0106 -0.0003 3151 ILE 94 HD12 0.0100 -0.0087 -0.0009 3152 ILE 94 HD13 0.0098 -0.0089 -0.0009 3153 TYR 95 N 0.0089 0.0005 0.0094 3154 TYR 95 CA 0.0060 0.0039 0.0074 3155 TYR 95 C 0.0038 0.0067 0.0113 3156 TYR 95 O 0.0040 0.0067 0.0143 3157 TYR 95 CB 0.0050 0.0047 0.0038 3158 TYR 95 CG 0.0018 0.0085 0.0021 3159 TYR 95 CD1 0.0009 0.0093 -0.0015 3160 TYR 95 CD2 -0.0003 0.0112 0.0041 3161 TYR 95 CE1 -0.0020 0.0127 -0.0031 3162 TYR 95 CE2 -0.0033 0.0146 0.0025 3163 TYR 95 CZ -0.0041 0.0153 -0.0011 3164 TYR 95 OH -0.0070 0.0187 -0.0027 3165 TYR 95 H 0.0095 -0.0002 0.0101 3166 TYR 95 HA 0.0059 0.0038 0.0058 3167 TYR 95 HB3 0.0055 0.0043 0.0052 3168 TYR 95 HB2 0.0064 0.0029 0.0009 3169 TYR 95 HD1 0.0025 0.0073 -0.0032 3170 TYR 95 HD2 0.0003 0.0106 0.0069 3171 TYR 95 HE1 -0.0027 0.0133 -0.0059 3172 TYR 95 HE2 -0.0049 0.0167 0.0041 3173 TYR 95 HH -0.0072 0.0187 -0.0052 3174 GLY 96 N 0.0018 0.0091 0.0112 3175 GLY 96 CA -0.0003 0.0119 0.0148 3176 GLY 96 C -0.0030 0.0150 0.0135 3177 GLY 96 O -0.0028 0.0147 0.0109 3178 GLY 96 H 0.0017 0.0091 0.0086 3179 GLY 96 HA3 0.0008 0.0108 0.0179 3180 GLY 96 HA2 -0.0009 0.0128 0.0157 3181 LYS 97 N -0.0107 0.0266 0.0207 3182 LYS 97 CA -0.0138 0.0264 0.0190 3183 LYS 97 C -0.0109 0.0263 0.0202 3184 LYS 97 O -0.0094 0.0285 0.0240 3185 LYS 97 CB -0.0188 0.0292 0.0207 3186 LYS 97 CG -0.0233 0.0283 0.0173 3187 LYS 97 CD -0.0278 0.0312 0.0195 3188 LYS 97 CE -0.0261 0.0334 0.0234 3189 LYS 97 NZ -0.0302 0.0365 0.0261 3190 LYS 97 H -0.0110 0.0288 0.0237 3191 LYS 97 HA -0.0146 0.0242 0.0154 3192 LYS 97 HB3 -0.0184 0.0311 0.0236 3193 LYS 97 HB2 -0.0196 0.0302 0.0218 3194 LYS 97 HG3 -0.0244 0.0270 0.0150 3195 LYS 97 HG2 -0.0221 0.0267 0.0156 3196 LYS 97 HD3 -0.0295 0.0325 0.0205 3197 LYS 97 HD2 -0.0306 0.0305 0.0171 3198 LYS 97 HE3 -0.0252 0.0323 0.0222 3199 LYS 97 HE2 -0.0227 0.0337 0.0254 3200 LYS 97 HZ1 -0.0310 0.0376 0.0272 3201 LYS 97 HZ2 -0.0290 0.0379 0.0286 3202 LYS 97 HZ3 -0.0333 0.0363 0.0242 3203 ILE 98 N -0.0099 0.0237 0.0169 3204 ILE 98 CA -0.0068 0.0232 0.0176 3205 ILE 98 C -0.0099 0.0237 0.0169 3206 ILE 98 O -0.0120 0.0219 0.0133 3207 ILE 98 CB -0.0029 0.0198 0.0144 3208 ILE 98 CG1 -0.0001 0.0190 0.0147 3209 ILE 98 CG2 0.0006 0.0193 0.0154 3210 ILE 98 CD1 0.0032 0.0210 0.0191 3211 ILE 98 H -0.0113 0.0220 0.0138 3212 ILE 98 HA -0.0047 0.0248 0.0209 3213 ILE 98 HB -0.0050 0.0181 0.0111 3214 ILE 98 HG13 0.0023 0.0165 0.0122 3215 ILE 98 HG12 -0.0027 0.0192 0.0138 3216 ILE 98 HG21 0.0033 0.0169 0.0132 3217 ILE 98 HG22 -0.0016 0.0197 0.0151 3218 ILE 98 HG23 0.0026 0.0210 0.0188 3219 ILE 98 HD11 0.0051 0.0204 0.0190 3220 ILE 98 HD12 0.0060 0.0207 0.0199 3221 ILE 98 HD13 0.0008 0.0235 0.0216 3222 PRO 99 N -0.0079 0.0221 0.0140 3223 PRO 99 CA -0.0095 0.0183 0.0123 3224 PRO 99 C -0.0072 0.0153 0.0072 3225 PRO 99 O -0.0033 0.0170 0.0048 3226 PRO 99 CB -0.0086 0.0208 0.0136 3227 PRO 99 CG -0.0079 0.0257 0.0172 3228 PRO 99 CD -0.0058 0.0268 0.0161 3229 PRO 99 HA -0.0131 0.0160 0.0139 3230 PRO 99 HB3 -0.0115 0.0190 0.0149 3231 PRO 99 HB2 -0.0056 0.0210 0.0107 3232 PRO 99 HG3 -0.0110 0.0257 0.0204 3233 PRO 99 HG2 -0.0055 0.0282 0.0170 3234 PRO 99 HD2 -0.0023 0.0281 0.0136 3235 PRO 99 HD3 -0.0069 0.0291 0.0192 3236 GLY 100 N -0.0094 0.0108 0.0056 3237 GLY 100 CA -0.0074 0.0077 0.0008 3238 GLY 100 C -0.0060 0.0064 -0.0019 3239 GLY 100 O -0.0026 0.0059 -0.0057 3240 GLY 100 H -0.0127 0.0095 0.0077 3241 GLY 100 HA3 -0.0046 0.0094 -0.0006 3242 GLY 100 HA2 -0.0097 0.0046 0.0003 3243 MET 101 N -0.0061 0.0081 0.0025 3244 MET 101 CA -0.0061 0.0075 0.0024 3245 MET 101 C -0.0066 0.0054 0.0023 3246 MET 101 O -0.0062 0.0045 0.0016 3247 MET 101 CB -0.0070 0.0087 0.0035 3248 MET 101 CG -0.0063 0.0107 0.0035 3249 MET 101 SD -0.0048 0.0110 0.0021 3250 MET 101 CE -0.0057 0.0102 0.0027 3251 MET 101 H -0.0070 0.0083 0.0034 3252 MET 101 HA -0.0050 0.0079 0.0014 3253 MET 101 HB3 -0.0073 0.0079 0.0036 3254 MET 101 HB2 -0.0081 0.0086 0.0045 3255 MET 101 HG3 -0.0071 0.0115 0.0044 3256 MET 101 HG2 -0.0060 0.0114 0.0034 3257 MET 101 HE1 -0.0048 0.0103 0.0020 3258 MET 101 HE2 -0.0064 0.0111 0.0037 3259 MET 101 HE3 -0.0062 0.0088 0.0028 3260 VAL 102 N -0.0076 0.0046 0.0030 3261 VAL 102 CA -0.0083 0.0026 0.0030 3262 VAL 102 C -0.0079 0.0015 0.0023 3263 VAL 102 O -0.0080 0.0022 0.0026 3264 VAL 102 CB -0.0100 0.0023 0.0044 3265 VAL 102 CG1 -0.0106 0.0002 0.0045 3266 VAL 102 CG2 -0.0104 0.0033 0.0051 3267 VAL 102 H -0.0080 0.0054 0.0035 3268 VAL 102 HA -0.0079 0.0020 0.0024 3269 VAL 102 HB -0.0104 0.0030 0.0050 3270 VAL 102 HG11 -0.0118 0.0001 0.0055 3271 VAL 102 HG12 -0.0104 -0.0004 0.0040 3272 VAL 102 HG13 -0.0102 -0.0005 0.0039 3273 VAL 102 HG21 -0.0116 0.0030 0.0061 3274 VAL 102 HG22 -0.0100 0.0026 0.0045 3275 VAL 102 HG23 -0.0100 0.0048 0.0051 3276 VAL 103 N -0.0035 -0.0004 0.0026 3277 VAL 103 CA -0.0024 -0.0030 0.0015 3278 VAL 103 C -0.0017 -0.0050 0.0038 3279 VAL 103 O -0.0018 -0.0050 0.0058 3280 VAL 103 CB -0.0022 -0.0033 0.0001 3281 VAL 103 CG1 -0.0009 -0.0061 -0.0006 3282 VAL 103 CG2 -0.0027 -0.0017 -0.0025 3283 VAL 103 H -0.0040 0.0005 0.0032 3284 VAL 103 HA -0.0022 -0.0033 -0.0001 3285 VAL 103 HB -0.0025 -0.0027 0.0015 3286 VAL 103 HG11 -0.0008 -0.0064 -0.0016 3287 VAL 103 HG12 -0.0005 -0.0073 0.0013 3288 VAL 103 HG13 -0.0006 -0.0068 -0.0020 3289 VAL 103 HG21 -0.0026 -0.0020 -0.0036 3290 VAL 103 HG22 -0.0024 -0.0023 -0.0039 3291 VAL 103 HG23 -0.0036 0.0003 -0.0020 3292 ASP 104 N -0.0009 -0.0066 0.0035 3293 ASP 104 CA -0.0002 -0.0086 0.0056 3294 ASP 104 C 0.0009 -0.0110 0.0048 3295 ASP 104 O 0.0014 -0.0125 0.0066 3296 ASP 104 CB 0.0000 -0.0091 0.0058 3297 ASP 104 CG -0.0010 -0.0068 0.0066 3298 ASP 104 OD1 -0.0018 -0.0052 0.0081 3299 ASP 104 OD2 -0.0011 -0.0065 0.0057 3300 ASP 104 H -0.0009 -0.0065 0.0018 3301 ASP 104 HA -0.0006 -0.0080 0.0076 3302 ASP 104 HB3 0.0006 -0.0106 0.0074 3303 ASP 104 HB2 0.0004 -0.0098 0.0039 3304 ARG 105 N 0.0033 -0.0080 0.0042 3305 ARG 105 CA 0.0042 -0.0108 0.0029 3306 ARG 105 C 0.0031 -0.0103 -0.0006 3307 ARG 105 O 0.0020 -0.0089 -0.0028 3308 ARG 105 CB 0.0055 -0.0140 0.0028 3309 ARG 105 CG 0.0065 -0.0172 0.0013 3310 ARG 105 CD 0.0077 -0.0201 0.0013 3311 ARG 105 NE 0.0083 -0.0197 0.0042 3312 ARG 105 CZ 0.0087 -0.0209 0.0040 3313 ARG 105 NH1 0.0087 -0.0226 0.0010 3314 ARG 105 NH2 0.0092 -0.0205 0.0067 3315 ARG 105 H 0.0023 -0.0066 0.0024 3316 ARG 105 HA 0.0047 -0.0110 0.0048 3317 ARG 105 HB3 0.0050 -0.0137 0.0013 3318 ARG 105 HB2 0.0063 -0.0144 0.0054 3319 ARG 105 HG3 0.0071 -0.0176 0.0030 3320 ARG 105 HG2 0.0057 -0.0169 -0.0014 3321 ARG 105 HD3 0.0087 -0.0224 0.0015 3322 ARG 105 HD2 0.0072 -0.0204 -0.0012 3323 ARG 105 HE 0.0083 -0.0185 0.0064 3324 ARG 105 HH12 0.0090 -0.0235 0.0008 3325 ARG 105 HH11 0.0083 -0.0229 -0.0011 3326 ARG 105 HH22 0.0096 -0.0214 0.0066 3327 ARG 105 HH21 0.0092 -0.0193 0.0090 3328 CYS 106 N 0.0035 -0.0114 -0.0011 3329 CYS 106 CA 0.0026 -0.0112 -0.0044 3330 CYS 106 C 0.0037 -0.0147 -0.0060 3331 CYS 106 O 0.0051 -0.0170 -0.0042 3332 CYS 106 CB 0.0019 -0.0092 -0.0036 3333 CYS 106 SG 0.0005 -0.0049 -0.0020 3334 CYS 106 H 0.0044 -0.0125 0.0008 3335 CYS 106 HA 0.0016 -0.0100 -0.0062 3336 CYS 106 HB3 0.0014 -0.0093 -0.0060 3337 CYS 106 HB2 0.0029 -0.0103 -0.0017 3338 GLY 107 N 0.0018 -0.0122 -0.0088 3339 GLY 107 CA 0.0026 -0.0115 -0.0086 3340 GLY 107 C 0.0011 -0.0116 -0.0074 3341 GLY 107 O -0.0006 -0.0124 -0.0070 3342 GLY 107 H 0.0004 -0.0131 -0.0087 3343 GLY 107 HA3 0.0033 -0.0120 -0.0099 3344 GLY 107 HA2 0.0036 -0.0102 -0.0079 3345 CYS 108 N 0.0016 -0.0108 -0.0070 3346 CYS 108 CA 0.0003 -0.0109 -0.0059 3347 CYS 108 C -0.0001 -0.0120 -0.0070 3348 CYS 108 O 0.0012 -0.0119 -0.0079 3349 CYS 108 CB 0.0010 -0.0093 -0.0045 3350 CYS 108 SG 0.0010 -0.0079 -0.0028 3351 CYS 108 H 0.0030 -0.0101 -0.0073 3352 CYS 108 HA -0.0010 -0.0112 -0.0052 3353 CYS 108 HB3 0.0001 -0.0094 -0.0038 3354 CYS 108 HB2 0.0024 -0.0088 -0.0051 3355 SER 109 N -0.0000 -0.0107 -0.0079 3356 SER 109 CA -0.0000 -0.0105 -0.0083 3357 SER 109 C 0.0001 -0.0106 -0.0077 3358 SER 109 O -0.0002 -0.0110 -0.0072 3359 SER 109 CB -0.0006 -0.0109 -0.0089 3360 SER 109 OG -0.0007 -0.0109 -0.0094 3361 SER 109 OXT 0.0004 -0.0103 -0.0078 3362 SER 109 H -0.0004 -0.0110 -0.0076 3363 SER 109 HA 0.0003 -0.0101 -0.0086 3364 SER 109 HB3 -0.0005 -0.0108 -0.0092 3365 SER 109 HB2 -0.0009 -0.0113 -0.0086 3366 SER 109 HG -0.0007 -0.0110 -0.0091