1 ASN 1 N -0.0009 -0.0130 -0.0155 2 ASN 1 CA 0.0039 -0.0003 -0.0122 3 ASN 1 C 0.0046 -0.0007 -0.0142 4 ASN 1 O 0.0112 0.0067 -0.0201 5 ASN 1 CB 0.0004 0.0061 0.0016 6 ASN 1 CG 0.0051 0.0191 0.0055 7 ASN 1 OD1 0.0010 0.0229 0.0179 8 ASN 1 ND2 0.0123 0.0256 -0.0026 9 ASN 1 H1 -0.0013 -0.0125 -0.0141 10 ASN 1 H2 0.0017 -0.0168 -0.0248 11 ASN 1 HA 0.0099 0.0055 -0.0186 12 ASN 1 HB3 -0.0058 0.0000 0.0082 13 ASN 1 HB2 0.0004 0.0070 0.0027 14 ASN 1 HD22 0.0153 0.0343 0.0001 15 ASN 1 HD21 0.0151 0.0223 -0.0119 16 LEU 2 N -0.0021 -0.0092 -0.0089 17 LEU 2 CA -0.0022 -0.0112 -0.0109 18 LEU 2 C -0.0007 -0.0204 -0.0236 19 LEU 2 O -0.0002 -0.0230 -0.0272 20 LEU 2 CB -0.0101 -0.0164 0.0001 21 LEU 2 CG -0.0117 -0.0073 0.0128 22 LEU 2 CD1 -0.0206 -0.0143 0.0239 23 LEU 2 CD2 -0.0075 -0.0002 0.0116 24 LEU 2 H -0.0074 -0.0144 -0.0035 25 LEU 2 HA 0.0026 -0.0021 -0.0113 26 LEU 2 HB3 -0.0111 -0.0216 -0.0032 27 LEU 2 HB2 -0.0150 -0.0243 0.0021 28 LEU 2 HG -0.0091 -0.0004 0.0147 29 LEU 2 HD11 -0.0215 -0.0076 0.0328 30 LEU 2 HD12 -0.0234 -0.0191 0.0248 31 LEU 2 HD13 -0.0232 -0.0214 0.0221 32 LEU 2 HD21 -0.0086 0.0063 0.0206 33 LEU 2 HD22 -0.0099 -0.0070 0.0094 34 LEU 2 HD23 -0.0011 0.0052 0.0039 35 GLY 3 N 0.0027 -0.0135 -0.0036 36 GLY 3 CA 0.0019 -0.0114 -0.0017 37 GLY 3 C -0.0011 -0.0121 -0.0012 38 GLY 3 O -0.0023 -0.0144 -0.0024 39 GLY 3 H 0.0027 -0.0152 -0.0049 40 GLY 3 HA3 0.0037 -0.0107 -0.0018 41 GLY 3 HA2 0.0019 -0.0098 -0.0005 42 LEU 4 N -0.0023 -0.0101 0.0008 43 LEU 4 CA -0.0052 -0.0105 0.0016 44 LEU 4 C -0.0047 -0.0096 0.0021 45 LEU 4 O -0.0030 -0.0075 0.0030 46 LEU 4 CB -0.0073 -0.0090 0.0034 47 LEU 4 CG -0.0106 -0.0094 0.0043 48 LEU 4 CD1 -0.0121 -0.0122 0.0027 49 LEU 4 CD2 -0.0121 -0.0076 0.0062 50 LEU 4 H -0.0012 -0.0083 0.0017 51 LEU 4 HA -0.0063 -0.0125 0.0004 52 LEU 4 HB3 -0.0063 -0.0069 0.0046 53 LEU 4 HB2 -0.0070 -0.0092 0.0031 54 LEU 4 HG -0.0109 -0.0090 0.0047 55 LEU 4 HD11 -0.0145 -0.0126 0.0033 56 LEU 4 HD12 -0.0110 -0.0135 0.0014 57 LEU 4 HD13 -0.0118 -0.0127 0.0023 58 LEU 4 HD21 -0.0145 -0.0079 0.0068 59 LEU 4 HD22 -0.0117 -0.0080 0.0058 60 LEU 4 HD23 -0.0110 -0.0056 0.0073 61 ASP 5 N -0.0016 0.0012 0.0040 62 ASP 5 CA -0.0020 0.0016 0.0043 63 ASP 5 C -0.0036 0.0019 0.0051 64 ASP 5 O -0.0047 0.0010 0.0051 65 ASP 5 CB -0.0016 0.0004 0.0038 66 ASP 5 CG 0.0001 0.0004 0.0031 67 ASP 5 OD1 0.0010 0.0016 0.0032 68 ASP 5 OD2 0.0005 -0.0007 0.0026 69 ASP 5 H -0.0021 0.0001 0.0038 70 ASP 5 HA -0.0012 0.0027 0.0044 71 ASP 5 HB3 -0.0022 0.0005 0.0040 72 ASP 5 HB2 -0.0021 -0.0008 0.0035 73 CYS 6 N -0.0039 0.0031 0.0056 74 CYS 6 CA -0.0054 0.0035 0.0063 75 CYS 6 C -0.0057 0.0039 0.0066 76 CYS 6 O -0.0046 0.0042 0.0063 77 CYS 6 CB -0.0058 0.0049 0.0069 78 CYS 6 SG -0.0055 0.0047 0.0067 79 CYS 6 H -0.0030 0.0038 0.0055 80 CYS 6 HA -0.0063 0.0025 0.0063 81 CYS 6 HB3 -0.0069 0.0051 0.0075 82 CYS 6 HB2 -0.0051 0.0059 0.0070 83 ASP 7 N -0.0006 0.0111 0.0089 84 ASP 7 CA -0.0017 0.0104 0.0084 85 ASP 7 C -0.0016 0.0103 0.0068 86 ASP 7 O -0.0006 0.0109 0.0061 87 ASP 7 CB -0.0019 0.0103 0.0091 88 ASP 7 CG -0.0008 0.0110 0.0089 89 ASP 7 OD1 -0.0006 0.0110 0.0077 90 ASP 7 OD2 -0.0001 0.0114 0.0100 91 ASP 7 H 0.0003 0.0116 0.0087 92 ASP 7 HA -0.0025 0.0099 0.0087 93 ASP 7 HB3 -0.0021 0.0103 0.0103 94 ASP 7 HB2 -0.0028 0.0098 0.0087 95 GLU 8 N -0.0025 0.0097 0.0062 96 GLU 8 CA -0.0025 0.0096 0.0046 97 GLU 8 C -0.0014 0.0102 0.0040 98 GLU 8 O -0.0010 0.0104 0.0028 99 GLU 8 CB -0.0038 0.0088 0.0041 100 GLU 8 CG -0.0043 0.0086 0.0050 101 GLU 8 CD -0.0049 0.0084 0.0065 102 GLU 8 OE1 -0.0055 0.0080 0.0065 103 GLU 8 OE2 -0.0046 0.0086 0.0076 104 GLU 8 H -0.0033 0.0093 0.0068 105 GLU 8 HA -0.0024 0.0096 0.0041 106 GLU 8 HB3 -0.0045 0.0084 0.0040 107 GLU 8 HB2 -0.0036 0.0088 0.0030 108 GLU 8 HG3 -0.0051 0.0081 0.0045 109 GLU 8 HG2 -0.0036 0.0090 0.0052 110 HIS 9 N -0.0214 0.0160 0.0047 111 HIS 9 CA -0.0107 0.0157 0.0023 112 HIS 9 C -0.0054 0.0186 0.0049 113 HIS 9 O 0.0013 0.0233 0.0095 114 HIS 9 CB -0.0065 0.0188 0.0053 115 HIS 9 CG -0.0114 0.0158 0.0024 116 HIS 9 ND1 -0.0102 0.0098 -0.0054 117 HIS 9 CD2 -0.0150 0.0186 0.0067 118 HIS 9 CE1 -0.0144 0.0087 -0.0060 119 HIS 9 NE2 -0.0174 0.0139 0.0013 120 HIS 9 H -0.0251 0.0197 0.0103 121 HIS 9 HA -0.0098 0.0107 -0.0043 122 HIS 9 HB3 0.0016 0.0188 0.0036 123 HIS 9 HB2 -0.0071 0.0239 0.0119 124 HIS 9 HD1 -0.0066 0.0070 -0.0097 125 HIS 9 HD2 -0.0156 0.0236 0.0132 126 HIS 9 HE1 -0.0149 0.0040 -0.0118 127 SER 10 N -0.0090 0.0156 0.0017 128 SER 10 CA -0.0051 0.0168 0.0024 129 SER 10 C -0.0013 0.0107 -0.0060 130 SER 10 O -0.0058 0.0055 -0.0118 131 SER 10 CB -0.0132 0.0183 0.0061 132 SER 10 OG -0.0115 0.0162 0.0030 133 SER 10 H -0.0151 0.0121 -0.0015 134 SER 10 HA 0.0012 0.0207 0.0062 135 SER 10 HB3 -0.0206 0.0161 0.0047 136 SER 10 HB2 -0.0132 0.0235 0.0126 137 SER 10 HG -0.0167 0.0172 0.0053 138 SER 11 N -0.0053 0.0011 0.0007 139 SER 11 CA -0.0023 -0.0028 -0.0050 140 SER 11 C -0.0039 -0.0034 -0.0053 141 SER 11 O 0.0002 -0.0050 -0.0084 142 SER 11 CB 0.0059 -0.0020 -0.0061 143 SER 11 OG 0.0094 0.0024 -0.0014 144 SER 11 H -0.0028 0.0044 0.0042 145 SER 11 HA -0.0050 -0.0060 -0.0083 146 SER 11 HB3 0.0068 -0.0023 -0.0067 147 SER 11 HB2 0.0081 -0.0048 -0.0102 148 SER 11 HG 0.0085 0.0026 -0.0010 149 GLU 12 N -0.0098 -0.0020 -0.0020 150 GLU 12 CA -0.0122 -0.0022 -0.0017 151 GLU 12 C -0.0156 -0.0073 -0.0072 152 GLU 12 O -0.0211 -0.0094 -0.0084 153 GLU 12 CB -0.0178 0.0009 0.0038 154 GLU 12 CG -0.0211 0.0007 0.0043 155 GLU 12 CD -0.0154 0.0023 0.0049 156 GLU 12 OE1 -0.0123 0.0065 0.0094 157 GLU 12 OE2 -0.0140 -0.0007 0.0007 158 GLU 12 H -0.0130 -0.0006 0.0005 159 GLU 12 HA -0.0075 -0.0010 -0.0014 160 GLU 12 HB3 -0.0222 0.0001 0.0038 161 GLU 12 HB2 -0.0153 0.0046 0.0077 162 GLU 12 HG3 -0.0239 -0.0029 0.0006 163 GLU 12 HG2 -0.0252 0.0029 0.0082 164 SER 13 N -0.0124 -0.0055 -0.0175 165 SER 13 CA -0.0136 -0.0066 -0.0215 166 SER 13 C -0.0146 -0.0073 -0.0168 167 SER 13 O -0.0174 -0.0096 -0.0189 168 SER 13 CB -0.0089 -0.0029 -0.0268 169 SER 13 OG -0.0041 0.0011 -0.0233 170 SER 13 H -0.0084 -0.0022 -0.0165 171 SER 13 HA -0.0173 -0.0097 -0.0245 172 SER 13 HB3 -0.0078 -0.0021 -0.0298 173 SER 13 HB2 -0.0102 -0.0041 -0.0306 174 SER 13 HG -0.0050 0.0004 -0.0207 175 ARG 14 N -0.0123 -0.0052 -0.0104 176 ARG 14 CA -0.0127 -0.0055 -0.0056 177 ARG 14 C -0.0184 -0.0100 -0.0020 178 ARG 14 O -0.0215 -0.0125 -0.0016 179 ARG 14 CB -0.0083 -0.0017 0.0001 180 ARG 14 CG -0.0025 0.0029 -0.0029 181 ARG 14 CD 0.0015 0.0063 0.0006 182 ARG 14 NE 0.0071 0.0108 -0.0017 183 ARG 14 CZ 0.0093 0.0124 -0.0078 184 ARG 14 NH1 0.0062 0.0098 -0.0120 185 ARG 14 NH2 0.0145 0.0166 -0.0095 186 ARG 14 H -0.0102 -0.0035 -0.0088 187 ARG 14 HA -0.0120 -0.0050 -0.0087 188 ARG 14 HB3 -0.0085 -0.0018 0.0034 189 ARG 14 HB2 -0.0092 -0.0023 0.0037 190 ARG 14 HG3 -0.0011 0.0041 -0.0022 191 ARG 14 HG2 -0.0025 0.0028 -0.0086 192 ARG 14 HD3 0.0003 0.0053 -0.0006 193 ARG 14 HD2 0.0012 0.0061 0.0064 194 ARG 14 HE 0.0095 0.0128 0.0015 195 ARG 14 HH12 0.0079 0.0111 -0.0166 196 ARG 14 HH11 0.0023 0.0066 -0.0107 197 ARG 14 HH22 0.0161 0.0178 -0.0141 198 ARG 14 HH21 0.0168 0.0186 -0.0063 199 CYS 15 N -0.0078 -0.0058 0.0007 200 CYS 15 CA -0.0075 -0.0051 0.0003 201 CYS 15 C -0.0074 -0.0046 -0.0001 202 CYS 15 O -0.0078 -0.0048 -0.0006 203 CYS 15 CB -0.0079 -0.0052 -0.0003 204 CYS 15 SG -0.0077 -0.0044 -0.0009 205 CYS 15 H -0.0081 -0.0062 0.0006 206 CYS 15 HA -0.0072 -0.0048 0.0007 207 CYS 15 HB3 -0.0083 -0.0055 -0.0007 208 CYS 15 HB2 -0.0080 -0.0055 -0.0000 209 CYS 16 N -0.0069 -0.0039 -0.0000 210 CYS 16 CA -0.0067 -0.0035 -0.0002 211 CYS 16 C -0.0063 -0.0027 -0.0004 212 CYS 16 O -0.0060 -0.0025 -0.0001 213 CYS 16 CB -0.0065 -0.0036 0.0004 214 CYS 16 SG -0.0064 -0.0033 0.0001 215 CYS 16 H -0.0067 -0.0038 0.0003 216 CYS 16 HA -0.0071 -0.0036 -0.0008 217 CYS 16 HB3 -0.0062 -0.0035 0.0009 218 CYS 16 HB2 -0.0068 -0.0042 0.0006 219 ARG 17 N 0.0048 0.0044 0.0057 220 ARG 17 CA 0.0048 0.0041 0.0057 221 ARG 17 C 0.0045 0.0040 0.0055 222 ARG 17 O 0.0043 0.0038 0.0054 223 ARG 17 CB 0.0051 0.0038 0.0058 224 ARG 17 CG 0.0051 0.0036 0.0059 225 ARG 17 CD 0.0053 0.0033 0.0060 226 ARG 17 NE 0.0052 0.0030 0.0060 227 ARG 17 CZ 0.0053 0.0027 0.0061 228 ARG 17 NH1 0.0054 0.0025 0.0062 229 ARG 17 NH2 0.0052 0.0025 0.0060 230 ARG 17 H 0.0049 0.0043 0.0057 231 ARG 17 HA 0.0049 0.0043 0.0057 232 ARG 17 HB3 0.0050 0.0037 0.0058 233 ARG 17 HB2 0.0053 0.0040 0.0060 234 ARG 17 HG3 0.0052 0.0037 0.0059 235 ARG 17 HG2 0.0049 0.0034 0.0058 236 ARG 17 HD3 0.0056 0.0034 0.0062 237 ARG 17 HD2 0.0053 0.0031 0.0061 238 ARG 17 HE 0.0051 0.0031 0.0059 239 ARG 17 HH12 0.0055 0.0022 0.0062 240 ARG 17 HH11 0.0055 0.0027 0.0062 241 ARG 17 HH22 0.0052 0.0022 0.0061 242 ARG 17 HH21 0.0050 0.0026 0.0059 243 TYR 18 N 0.0044 0.0040 0.0054 244 TYR 18 CA 0.0040 0.0038 0.0053 245 TYR 18 C 0.0041 0.0035 0.0053 246 TYR 18 O 0.0043 0.0034 0.0055 247 TYR 18 CB 0.0038 0.0041 0.0051 248 TYR 18 CG 0.0037 0.0044 0.0051 249 TYR 18 CD1 0.0040 0.0047 0.0052 250 TYR 18 CD2 0.0034 0.0044 0.0049 251 TYR 18 CE1 0.0039 0.0050 0.0051 252 TYR 18 CE2 0.0034 0.0047 0.0048 253 TYR 18 CZ 0.0036 0.0050 0.0049 254 TYR 18 OH 0.0035 0.0053 0.0049 255 TYR 18 H 0.0045 0.0041 0.0055 256 TYR 18 HA 0.0039 0.0037 0.0052 257 TYR 18 HB3 0.0036 0.0040 0.0050 258 TYR 18 HB2 0.0040 0.0042 0.0052 259 TYR 18 HD1 0.0042 0.0047 0.0053 260 TYR 18 HD2 0.0033 0.0042 0.0048 261 TYR 18 HE1 0.0040 0.0052 0.0052 262 TYR 18 HE2 0.0031 0.0047 0.0047 263 TYR 18 HH 0.0037 0.0055 0.0050 264 PRO 19 N 0.0038 0.0059 0.0080 265 PRO 19 CA 0.0033 0.0048 0.0083 266 PRO 19 C 0.0027 0.0047 0.0078 267 PRO 19 O 0.0023 0.0053 0.0069 268 PRO 19 CB 0.0027 0.0042 0.0082 269 PRO 19 CG 0.0025 0.0050 0.0074 270 PRO 19 CD 0.0034 0.0060 0.0074 271 PRO 19 HA 0.0038 0.0045 0.0090 272 PRO 19 HB3 0.0031 0.0039 0.0088 273 PRO 19 HB2 0.0020 0.0036 0.0080 274 PRO 19 HG3 0.0024 0.0048 0.0074 275 PRO 19 HG2 0.0019 0.0051 0.0067 276 PRO 19 HD2 0.0032 0.0067 0.0067 277 PRO 19 HD3 0.0039 0.0061 0.0079 278 LEU 20 N 0.0026 0.0040 0.0082 279 LEU 20 CA 0.0020 0.0038 0.0078 280 LEU 20 C 0.0017 0.0027 0.0084 281 LEU 20 O 0.0023 0.0024 0.0092 282 LEU 20 CB 0.0024 0.0045 0.0076 283 LEU 20 CG 0.0018 0.0042 0.0073 284 LEU 20 CD1 0.0009 0.0043 0.0063 285 LEU 20 CD2 0.0024 0.0049 0.0073 286 LEU 20 H 0.0030 0.0036 0.0089 287 LEU 20 HA 0.0013 0.0038 0.0071 288 LEU 20 HB3 0.0031 0.0046 0.0083 289 LEU 20 HB2 0.0025 0.0053 0.0071 290 LEU 20 HG 0.0016 0.0034 0.0077 291 LEU 20 HD11 0.0005 0.0041 0.0061 292 LEU 20 HD12 0.0005 0.0038 0.0063 293 LEU 20 HD13 0.0011 0.0051 0.0058 294 LEU 20 HD21 0.0019 0.0046 0.0071 295 LEU 20 HD22 0.0026 0.0057 0.0069 296 LEU 20 HD23 0.0030 0.0048 0.0080 297 THR 21 N -0.0085 -0.0045 0.0014 298 THR 21 CA -0.0065 -0.0056 0.0006 299 THR 21 C -0.0048 -0.0026 0.0014 300 THR 21 O -0.0065 -0.0002 0.0027 301 THR 21 CB -0.0087 -0.0077 0.0002 302 THR 21 OG1 -0.0101 -0.0107 -0.0006 303 THR 21 CG2 -0.0066 -0.0087 -0.0006 304 THR 21 H -0.0110 -0.0040 0.0021 305 THR 21 HA -0.0044 -0.0071 -0.0003 306 THR 21 HB -0.0109 -0.0063 0.0012 307 THR 21 HG1 -0.0082 -0.0119 -0.0015 308 THR 21 HG21 -0.0082 -0.0102 -0.0008 309 THR 21 HG22 -0.0055 -0.0065 0.0001 310 THR 21 HG23 -0.0044 -0.0101 -0.0015 311 VAL 22 N -0.0014 -0.0026 0.0008 312 VAL 22 CA 0.0006 -0.0001 0.0014 313 VAL 22 C 0.0011 -0.0014 0.0008 314 VAL 22 O 0.0025 -0.0040 -0.0005 315 VAL 22 CB 0.0041 0.0009 0.0011 316 VAL 22 CG1 0.0065 0.0029 0.0014 317 VAL 22 CG2 0.0037 0.0028 0.0019 318 VAL 22 H -0.0000 -0.0045 -0.0002 319 VAL 22 HA -0.0009 0.0021 0.0025 320 VAL 22 HB 0.0054 -0.0013 -0.0000 321 VAL 22 HG11 0.0090 0.0036 0.0012 322 VAL 22 HG12 0.0069 0.0015 0.0007 323 VAL 22 HG13 0.0053 0.0052 0.0025 324 VAL 22 HG21 0.0062 0.0035 0.0017 325 VAL 22 HG22 0.0023 0.0051 0.0030 326 VAL 22 HG23 0.0021 0.0013 0.0016 327 ASP 23 N 0.0024 -0.0025 -0.0066 328 ASP 23 CA 0.0028 -0.0041 -0.0072 329 ASP 23 C 0.0046 -0.0036 -0.0064 330 ASP 23 O 0.0043 -0.0022 -0.0059 331 ASP 23 CB 0.0007 -0.0042 -0.0079 332 ASP 23 CG 0.0010 -0.0059 -0.0086 333 ASP 23 OD1 0.0022 -0.0058 -0.0082 334 ASP 23 OD2 -0.0001 -0.0074 -0.0096 335 ASP 23 H 0.0017 -0.0011 -0.0062 336 ASP 23 HA 0.0032 -0.0055 -0.0077 337 ASP 23 HB3 0.0003 -0.0027 -0.0074 338 ASP 23 HB2 -0.0006 -0.0044 -0.0084 339 PHE 24 N 0.0064 -0.0049 -0.0064 340 PHE 24 CA 0.0082 -0.0045 -0.0056 341 PHE 24 C 0.0079 -0.0047 -0.0058 342 PHE 24 O 0.0087 -0.0036 -0.0051 343 PHE 24 CB 0.0102 -0.0059 -0.0056 344 PHE 24 CG 0.0109 -0.0055 -0.0052 345 PHE 24 CD1 0.0113 -0.0036 -0.0042 346 PHE 24 CD2 0.0110 -0.0070 -0.0059 347 PHE 24 CE1 0.0120 -0.0031 -0.0038 348 PHE 24 CE2 0.0116 -0.0066 -0.0055 349 PHE 24 CZ 0.0121 -0.0047 -0.0045 350 PHE 24 H 0.0065 -0.0061 -0.0069 351 PHE 24 HA 0.0085 -0.0029 -0.0048 352 PHE 24 HB3 0.0115 -0.0058 -0.0051 353 PHE 24 HB2 0.0099 -0.0075 -0.0064 354 PHE 24 HD1 0.0112 -0.0023 -0.0037 355 PHE 24 HD2 0.0106 -0.0085 -0.0067 356 PHE 24 HE1 0.0123 -0.0016 -0.0030 357 PHE 24 HE2 0.0117 -0.0078 -0.0060 358 PHE 24 HZ 0.0126 -0.0043 -0.0042 359 GLU 25 N 0.0063 -0.0077 -0.0090 360 GLU 25 CA 0.0058 -0.0094 -0.0103 361 GLU 25 C 0.0019 -0.0044 -0.0097 362 GLU 25 O 0.0031 -0.0035 -0.0084 363 GLU 25 CB 0.0034 -0.0147 -0.0149 364 GLU 25 CG 0.0053 -0.0196 -0.0166 365 GLU 25 CD 0.0025 -0.0245 -0.0212 366 GLU 25 OE1 -0.0028 -0.0237 -0.0238 367 GLU 25 OE2 0.0057 -0.0292 -0.0221 368 GLU 25 H 0.0044 -0.0095 -0.0112 369 GLU 25 HA 0.0101 -0.0104 -0.0083 370 GLU 25 HB3 0.0043 -0.0165 -0.0154 371 GLU 25 HB2 -0.0014 -0.0133 -0.0169 372 GLU 25 HG3 0.0041 -0.0178 -0.0163 373 GLU 25 HG2 0.0100 -0.0212 -0.0147 374 ALA 26 N -0.0027 -0.0012 -0.0105 375 ALA 26 CA -0.0067 0.0038 -0.0100 376 ALA 26 C -0.0038 0.0087 -0.0054 377 ALA 26 O -0.0063 0.0130 -0.0043 378 ALA 26 CB -0.0122 0.0059 -0.0120 379 ALA 26 H -0.0035 -0.0021 -0.0115 380 ALA 26 HA -0.0079 0.0023 -0.0116 381 ALA 26 HB1 -0.0151 0.0096 -0.0116 382 ALA 26 HB2 -0.0143 0.0024 -0.0153 383 ALA 26 HB3 -0.0110 0.0073 -0.0105 384 PHE 27 N 0.0125 0.0068 0.0016 385 PHE 27 CA 0.0148 0.0094 0.0040 386 PHE 27 C 0.0201 0.0122 0.0040 387 PHE 27 O 0.0224 0.0150 0.0068 388 PHE 27 CB 0.0147 0.0079 0.0014 389 PHE 27 CG 0.0096 0.0053 0.0017 390 PHE 27 CD1 0.0053 0.0045 0.0042 391 PHE 27 CD2 0.0090 0.0036 -0.0006 392 PHE 27 CE1 0.0005 0.0021 0.0044 393 PHE 27 CE2 0.0043 0.0012 -0.0004 394 PHE 27 CZ 0.0000 0.0005 0.0021 395 PHE 27 H 0.0133 0.0051 -0.0021 396 PHE 27 HA 0.0127 0.0105 0.0078 397 PHE 27 HB3 0.0169 0.0099 0.0030 398 PHE 27 HB2 0.0167 0.0067 -0.0024 399 PHE 27 HD1 0.0056 0.0057 0.0060 400 PHE 27 HD2 0.0122 0.0042 -0.0027 401 PHE 27 HE1 -0.0027 0.0015 0.0064 402 PHE 27 HE2 0.0039 -0.0000 -0.0023 403 PHE 27 HZ -0.0036 -0.0014 0.0022 404 GLY 28 N 0.0221 0.0114 0.0008 405 GLY 28 CA 0.0272 0.0139 0.0005 406 GLY 28 C 0.0312 0.0137 -0.0035 407 GLY 28 O 0.0356 0.0158 -0.0039 408 GLY 28 H 0.0202 0.0090 -0.0016 409 GLY 28 HA3 0.0281 0.0164 0.0040 410 GLY 28 HA2 0.0272 0.0135 -0.0002 411 TRP 29 N 0.0033 0.0132 -0.0019 412 TRP 29 CA 0.0031 0.0138 -0.0046 413 TRP 29 C 0.0021 0.0151 -0.0031 414 TRP 29 O 0.0031 0.0135 -0.0019 415 TRP 29 CB 0.0052 0.0108 -0.0064 416 TRP 29 CG 0.0063 0.0093 -0.0081 417 TRP 29 CD1 0.0056 0.0104 -0.0084 418 TRP 29 CD2 0.0083 0.0064 -0.0099 419 TRP 29 NE1 0.0071 0.0083 -0.0101 420 TRP 29 CE2 0.0087 0.0059 -0.0111 421 TRP 29 CE3 0.0097 0.0042 -0.0105 422 TRP 29 CZ2 0.0105 0.0032 -0.0129 423 TRP 29 CZ3 0.0115 0.0016 -0.0123 424 TRP 29 CH2 0.0119 0.0011 -0.0135 425 TRP 29 H 0.0046 0.0110 -0.0009 426 TRP 29 HA 0.0023 0.0154 -0.0067 427 TRP 29 HB3 0.0051 0.0112 -0.0085 428 TRP 29 HB2 0.0060 0.0092 -0.0044 429 TRP 29 HD1 0.0041 0.0125 -0.0073 430 TRP 29 HE1 0.0068 0.0088 -0.0105 431 TRP 29 HE3 0.0094 0.0046 -0.0096 432 TRP 29 HZ2 0.0108 0.0029 -0.0138 433 TRP 29 HZ3 0.0127 -0.0001 -0.0128 434 TRP 29 HH2 0.0133 -0.0009 -0.0149 435 ASP 30 N 0.0002 0.0182 -0.0031 436 ASP 30 CA -0.0010 0.0198 -0.0016 437 ASP 30 C -0.0006 0.0196 -0.0041 438 ASP 30 O -0.0012 0.0203 -0.0029 439 ASP 30 CB -0.0032 0.0232 -0.0010 440 ASP 30 CG -0.0040 0.0250 -0.0045 441 ASP 30 OD1 -0.0031 0.0238 -0.0067 442 ASP 30 OD2 -0.0056 0.0276 -0.0050 443 ASP 30 H -0.0005 0.0195 -0.0043 444 ASP 30 HA -0.0005 0.0187 0.0010 445 ASP 30 HB3 -0.0034 0.0233 0.0008 446 ASP 30 HB2 -0.0040 0.0243 0.0004 447 TRP 31 N -0.0150 0.0181 -0.0095 448 TRP 31 CA -0.0110 0.0168 -0.0118 449 TRP 31 C -0.0068 0.0111 -0.0097 450 TRP 31 O -0.0035 0.0092 -0.0107 451 TRP 31 CB -0.0081 0.0200 -0.0178 452 TRP 31 CG -0.0056 0.0198 -0.0199 453 TRP 31 CD1 -0.0081 0.0228 -0.0208 454 TRP 31 CD2 -0.0001 0.0163 -0.0214 455 TRP 31 NE1 -0.0044 0.0215 -0.0228 456 TRP 31 CE2 0.0005 0.0175 -0.0232 457 TRP 31 CE3 0.0045 0.0124 -0.0214 458 TRP 31 CZ2 0.0055 0.0149 -0.0249 459 TRP 31 CZ3 0.0093 0.0098 -0.0232 460 TRP 31 CH2 0.0098 0.0111 -0.0249 461 TRP 31 H -0.0147 0.0198 -0.0116 462 TRP 31 HA -0.0132 0.0177 -0.0108 463 TRP 31 HB3 -0.0109 0.0240 -0.0194 464 TRP 31 HB2 -0.0049 0.0187 -0.0194 465 TRP 31 HD1 -0.0123 0.0257 -0.0199 466 TRP 31 HE1 -0.0056 0.0233 -0.0236 467 TRP 31 HE3 0.0041 0.0115 -0.0201 468 TRP 31 HZ2 0.0057 0.0159 -0.0262 469 TRP 31 HZ3 0.0129 0.0067 -0.0233 470 TRP 31 HH2 0.0137 0.0089 -0.0263 471 ILE 32 N -0.0068 0.0084 -0.0068 472 ILE 32 CA -0.0037 0.0028 -0.0038 473 ILE 32 C -0.0073 0.0006 0.0018 474 ILE 32 O -0.0114 0.0015 0.0047 475 ILE 32 CB -0.0011 0.0005 -0.0038 476 ILE 32 CG1 0.0038 0.0014 -0.0092 477 ILE 32 CG2 0.0009 -0.0052 0.0004 478 ILE 32 CD1 0.0052 0.0011 -0.0102 479 ILE 32 H -0.0090 0.0102 -0.0067 480 ILE 32 HA -0.0004 0.0016 -0.0057 481 ILE 32 HB -0.0041 0.0024 -0.0030 482 ILE 32 HG13 0.0029 0.0051 -0.0123 483 ILE 32 HG12 0.0073 -0.0015 -0.0095 484 ILE 32 HG21 0.0027 -0.0068 0.0003 485 ILE 32 HG22 -0.0026 -0.0058 0.0042 486 ILE 32 HG23 0.0039 -0.0071 -0.0004 487 ILE 32 HD11 0.0087 0.0017 -0.0141 488 ILE 32 HD12 0.0017 0.0040 -0.0100 489 ILE 32 HD13 0.0063 -0.0027 -0.0072 490 ILE 33 N -0.0076 -0.0004 0.0044 491 ILE 33 CA -0.0094 -0.0022 0.0065 492 ILE 33 C -0.0096 -0.0056 0.0082 493 ILE 33 O -0.0120 -0.0064 0.0104 494 ILE 33 CB -0.0079 -0.0030 0.0058 495 ILE 33 CG1 -0.0078 0.0004 0.0041 496 ILE 33 CG2 -0.0096 -0.0050 0.0080 497 ILE 33 CD1 -0.0057 0.0001 0.0027 498 ILE 33 H -0.0054 -0.0008 0.0029 499 ILE 33 HA -0.0116 -0.0006 0.0075 500 ILE 33 HB -0.0056 -0.0045 0.0047 501 ILE 33 HG13 -0.0072 0.0022 0.0029 502 ILE 33 HG12 -0.0101 0.0018 0.0053 503 ILE 33 HG21 -0.0085 -0.0055 0.0074 504 ILE 33 HG22 -0.0095 -0.0075 0.0090 505 ILE 33 HG23 -0.0120 -0.0036 0.0091 506 ILE 33 HD11 -0.0058 0.0026 0.0016 507 ILE 33 HD12 -0.0034 -0.0011 0.0015 508 ILE 33 HD13 -0.0064 -0.0016 0.0039 509 ALA 34 N -0.0070 -0.0077 0.0072 510 ALA 34 CA -0.0069 -0.0110 0.0086 511 ALA 34 C -0.0042 -0.0119 0.0070 512 ALA 34 O -0.0018 -0.0111 0.0048 513 ALA 34 CB -0.0068 -0.0138 0.0098 514 ALA 34 H -0.0051 -0.0069 0.0054 515 ALA 34 HA -0.0089 -0.0107 0.0100 516 ALA 34 HB1 -0.0067 -0.0162 0.0108 517 ALA 34 HB2 -0.0088 -0.0131 0.0110 518 ALA 34 HB3 -0.0048 -0.0141 0.0084 519 PRO 35 N 0.0016 -0.0090 0.0034 520 PRO 35 CA 0.0035 -0.0086 0.0028 521 PRO 35 C 0.0028 -0.0101 -0.0019 522 PRO 35 O 0.0017 -0.0113 -0.0048 523 PRO 35 CB 0.0084 -0.0068 0.0033 524 PRO 35 CG 0.0092 -0.0070 0.0016 525 PRO 35 CD 0.0050 -0.0080 0.0030 526 PRO 35 HA 0.0021 -0.0083 0.0054 527 PRO 35 HB3 0.0090 -0.0056 0.0068 528 PRO 35 HB2 0.0103 -0.0068 0.0011 529 PRO 35 HG3 0.0119 -0.0056 0.0033 530 PRO 35 HG2 0.0098 -0.0078 -0.0020 531 PRO 35 HD2 0.0043 -0.0090 0.0003 532 PRO 35 HD3 0.0053 -0.0070 0.0063 533 LYS 36 N 0.0035 -0.0101 -0.0025 534 LYS 36 CA 0.0030 -0.0115 -0.0068 535 LYS 36 C 0.0071 -0.0110 -0.0100 536 LYS 36 O 0.0070 -0.0122 -0.0141 537 LYS 36 CB 0.0022 -0.0116 -0.0063 538 LYS 36 CG -0.0019 -0.0121 -0.0033 539 LYS 36 CD -0.0061 -0.0141 -0.0055 540 LYS 36 CE -0.0102 -0.0147 -0.0026 541 LYS 36 NZ -0.0141 -0.0164 -0.0041 542 LYS 36 H 0.0043 -0.0091 0.0001 543 LYS 36 HA 0.0002 -0.0128 -0.0083 544 LYS 36 HB3 0.0020 -0.0126 -0.0095 545 LYS 36 HB2 0.0050 -0.0103 -0.0049 546 LYS 36 HG3 -0.0020 -0.0119 -0.0025 547 LYS 36 HG2 -0.0019 -0.0112 -0.0001 548 LYS 36 HD3 -0.0060 -0.0143 -0.0063 549 LYS 36 HD2 -0.0061 -0.0150 -0.0087 550 LYS 36 HE3 -0.0109 -0.0149 -0.0027 551 LYS 36 HE2 -0.0098 -0.0135 0.0009 552 LYS 36 HZ1 -0.0135 -0.0162 -0.0039 553 LYS 36 HZ2 -0.0168 -0.0167 -0.0021 554 LYS 36 HZ3 -0.0145 -0.0174 -0.0073 555 ARG 37 N 0.0073 -0.0147 -0.0076 556 ARG 37 CA 0.0064 -0.0112 -0.0080 557 ARG 37 C 0.0066 -0.0092 -0.0067 558 ARG 37 O 0.0072 -0.0107 -0.0061 559 ARG 37 CB 0.0047 -0.0106 -0.0115 560 ARG 37 CG 0.0038 -0.0105 -0.0133 561 ARG 37 CD 0.0020 -0.0099 -0.0167 562 ARG 37 NE 0.0019 -0.0118 -0.0180 563 ARG 37 CZ 0.0021 -0.0151 -0.0189 564 ARG 37 NH1 0.0026 -0.0168 -0.0187 565 ARG 37 NH2 0.0019 -0.0166 -0.0200 566 ARG 37 H 0.0076 -0.0156 -0.0073 567 ARG 37 HA 0.0068 -0.0102 -0.0067 568 ARG 37 HB3 0.0046 -0.0126 -0.0126 569 ARG 37 HB2 0.0041 -0.0083 -0.0117 570 ARG 37 HG3 0.0039 -0.0086 -0.0123 571 ARG 37 HG2 0.0043 -0.0130 -0.0133 572 ARG 37 HD3 0.0014 -0.0072 -0.0169 573 ARG 37 HD2 0.0015 -0.0106 -0.0182 574 ARG 37 HE 0.0015 -0.0104 -0.0181 575 ARG 37 HH12 0.0027 -0.0193 -0.0194 576 ARG 37 HH11 0.0027 -0.0157 -0.0179 577 ARG 37 HH22 0.0021 -0.0191 -0.0206 578 ARG 37 HH21 0.0016 -0.0153 -0.0201 579 TYR 38 N 0.0061 -0.0059 -0.0062 580 TYR 38 CA 0.0063 -0.0038 -0.0049 581 TYR 38 C 0.0054 -0.0000 -0.0053 582 TYR 38 O 0.0048 0.0010 -0.0061 583 TYR 38 CB 0.0081 -0.0042 -0.0014 584 TYR 38 CG 0.0086 -0.0021 0.0008 585 TYR 38 CD1 0.0090 -0.0030 0.0011 586 TYR 38 CD2 0.0089 0.0008 0.0025 587 TYR 38 CE1 0.0095 -0.0011 0.0032 588 TYR 38 CE2 0.0094 0.0027 0.0045 589 TYR 38 CZ 0.0097 0.0018 0.0048 590 TYR 38 OH 0.0103 0.0038 0.0068 591 TYR 38 H 0.0056 -0.0048 -0.0068 592 TYR 38 HA 0.0059 -0.0045 -0.0061 593 TYR 38 HB3 0.0088 -0.0069 -0.0010 594 TYR 38 HB2 0.0083 -0.0037 -0.0007 595 TYR 38 HD1 0.0089 -0.0053 -0.0001 596 TYR 38 HD2 0.0086 0.0015 0.0023 597 TYR 38 HE1 0.0098 -0.0018 0.0034 598 TYR 38 HE2 0.0096 0.0050 0.0058 599 TYR 38 HH 0.0104 0.0056 0.0079 600 LYS 39 N 0.0043 -0.0116 0.0037 601 LYS 39 CA 0.0015 -0.0104 0.0049 602 LYS 39 C 0.0058 -0.0073 0.0047 603 LYS 39 O 0.0095 -0.0099 0.0028 604 LYS 39 CB -0.0011 -0.0160 0.0039 605 LYS 39 CG -0.0061 -0.0189 0.0043 606 LYS 39 CD -0.0087 -0.0244 0.0033 607 LYS 39 CE -0.0072 -0.0297 0.0012 608 LYS 39 NZ -0.0010 -0.0306 -0.0009 609 LYS 39 H 0.0060 -0.0154 0.0020 610 LYS 39 HA -0.0019 -0.0077 0.0068 611 LYS 39 HB3 -0.0027 -0.0152 0.0046 612 LYS 39 HB2 0.0022 -0.0190 0.0020 613 LYS 39 HG3 -0.0046 -0.0199 0.0036 614 LYS 39 HG2 -0.0095 -0.0160 0.0062 615 LYS 39 HD3 -0.0134 -0.0243 0.0047 616 LYS 39 HD2 -0.0070 -0.0246 0.0028 617 LYS 39 HE3 -0.0086 -0.0293 0.0017 618 LYS 39 HE2 -0.0098 -0.0334 0.0007 619 LYS 39 HZ1 0.0014 -0.0269 -0.0004 620 LYS 39 HZ2 0.0000 -0.0320 -0.0016 621 LYS 39 HZ3 -0.0001 -0.0335 -0.0021 622 ALA 40 N 0.0053 -0.0018 0.0066 623 ALA 40 CA 0.0092 0.0017 0.0066 624 ALA 40 C 0.0069 0.0019 0.0073 625 ALA 40 O 0.0102 0.0021 0.0065 626 ALA 40 CB 0.0103 0.0077 0.0083 627 ALA 40 H 0.0021 0.0001 0.0081 628 ALA 40 HA 0.0133 -0.0002 0.0048 629 ALA 40 HB1 0.0132 0.0103 0.0083 630 ALA 40 HB2 0.0122 0.0076 0.0077 631 ALA 40 HB3 0.0062 0.0097 0.0101 632 ASN 41 N 0.0079 0.0048 0.0089 633 ASN 41 CA 0.0087 0.0048 0.0086 634 ASN 41 C 0.0085 0.0041 0.0080 635 ASN 41 O 0.0078 0.0037 0.0079 636 ASN 41 CB 0.0089 0.0054 0.0092 637 ASN 41 CG 0.0089 0.0060 0.0098 638 ASN 41 OD1 0.0095 0.0062 0.0099 639 ASN 41 ND2 0.0083 0.0063 0.0104 640 ASN 41 H 0.0080 0.0048 0.0089 641 ASN 41 HA 0.0092 0.0048 0.0085 642 ASN 41 HB3 0.0095 0.0054 0.0090 643 ASN 41 HB2 0.0084 0.0053 0.0093 644 ASN 41 HD22 0.0083 0.0067 0.0109 645 ASN 41 HD21 0.0079 0.0061 0.0104 646 TYR 42 N 0.0092 0.0041 0.0077 647 TYR 42 CA 0.0092 0.0035 0.0071 648 TYR 42 C 0.0100 0.0036 0.0069 649 TYR 42 O 0.0106 0.0041 0.0072 650 TYR 42 CB 0.0092 0.0029 0.0064 651 TYR 42 CG 0.0100 0.0029 0.0061 652 TYR 42 CD1 0.0103 0.0033 0.0064 653 TYR 42 CD2 0.0106 0.0025 0.0055 654 TYR 42 CE1 0.0111 0.0033 0.0062 655 TYR 42 CE2 0.0114 0.0025 0.0053 656 TYR 42 CZ 0.0116 0.0029 0.0056 657 TYR 42 OH 0.0124 0.0029 0.0053 658 TYR 42 H 0.0098 0.0044 0.0078 659 TYR 42 HA 0.0086 0.0034 0.0072 660 TYR 42 HB3 0.0086 0.0028 0.0066 661 TYR 42 HB2 0.0090 0.0025 0.0060 662 TYR 42 HD1 0.0098 0.0036 0.0069 663 TYR 42 HD2 0.0104 0.0022 0.0053 664 TYR 42 HE1 0.0112 0.0036 0.0064 665 TYR 42 HE2 0.0118 0.0023 0.0048 666 TYR 42 HH 0.0126 0.0026 0.0048 667 CYS 43 N 0.0076 -0.0051 -0.0031 668 CYS 43 CA 0.0066 -0.0037 -0.0028 669 CYS 43 C 0.0079 -0.0051 -0.0034 670 CYS 43 O 0.0085 -0.0077 -0.0028 671 CYS 43 CB 0.0041 -0.0037 -0.0005 672 CYS 43 SG 0.0024 -0.0020 0.0003 673 CYS 43 H 0.0072 -0.0070 -0.0019 674 CYS 43 HA 0.0067 -0.0014 -0.0039 675 CYS 43 HB3 0.0033 -0.0026 -0.0003 676 CYS 43 HB2 0.0039 -0.0059 0.0005 677 SER 44 N 0.0082 -0.0033 -0.0044 678 SER 44 CA 0.0093 -0.0043 -0.0050 679 SER 44 C 0.0087 -0.0020 -0.0054 680 SER 44 O 0.0086 0.0006 -0.0064 681 SER 44 CB 0.0120 -0.0053 -0.0069 682 SER 44 OG 0.0131 -0.0062 -0.0075 683 SER 44 H 0.0077 -0.0011 -0.0049 684 SER 44 HA 0.0087 -0.0061 -0.0036 685 SER 44 HB3 0.0126 -0.0035 -0.0083 686 SER 44 HB2 0.0124 -0.0071 -0.0066 687 SER 44 HG 0.0135 -0.0082 -0.0070 688 GLY 45 N -0.0103 -0.0153 -0.0110 689 GLY 45 CA -0.0100 -0.0113 -0.0117 690 GLY 45 C -0.0096 -0.0090 -0.0097 691 GLY 45 O -0.0095 -0.0106 -0.0073 692 GLY 45 H -0.0104 -0.0165 -0.0107 693 GLY 45 HA3 -0.0098 -0.0102 -0.0108 694 GLY 45 HA2 -0.0101 -0.0108 -0.0148 695 GLN 46 N -0.0093 -0.0054 -0.0107 696 GLN 46 CA -0.0089 -0.0030 -0.0091 697 GLN 46 C -0.0085 -0.0016 -0.0051 698 GLN 46 O -0.0084 -0.0011 -0.0042 699 GLN 46 CB -0.0088 0.0004 -0.0117 700 GLN 46 CG -0.0092 -0.0007 -0.0158 701 GLN 46 CD -0.0095 -0.0032 -0.0159 702 GLN 46 OE1 -0.0093 -0.0020 -0.0147 703 GLN 46 NE2 -0.0099 -0.0066 -0.0173 704 GLN 46 H -0.0093 -0.0042 -0.0125 705 GLN 46 HA -0.0091 -0.0047 -0.0089 706 GLN 46 HB3 -0.0085 0.0021 -0.0105 707 GLN 46 HB2 -0.0086 0.0022 -0.0118 708 GLN 46 HG3 -0.0091 0.0019 -0.0174 709 GLN 46 HG2 -0.0095 -0.0022 -0.0171 710 GLN 46 HE22 -0.0101 -0.0084 -0.0175 711 GLN 46 HE21 -0.0101 -0.0075 -0.0183 712 CYS 47 N -0.0061 0.0016 0.0021 713 CYS 47 CA -0.0038 0.0017 0.0032 714 CYS 47 C -0.0031 0.0043 0.0030 715 CYS 47 O -0.0022 0.0059 0.0030 716 CYS 47 CB -0.0023 0.0011 0.0041 717 CYS 47 SG -0.0026 -0.0021 0.0046 718 CYS 47 H -0.0065 0.0029 0.0016 719 CYS 47 HA -0.0036 0.0004 0.0035 720 CYS 47 HB3 -0.0005 0.0015 0.0048 721 CYS 47 HB2 -0.0026 0.0021 0.0037 722 GLU 48 N -0.0034 0.0046 0.0027 723 GLU 48 CA -0.0028 0.0070 0.0025 724 GLU 48 C -0.0009 0.0068 0.0035 725 GLU 48 O -0.0004 0.0048 0.0041 726 GLU 48 CB -0.0048 0.0078 0.0013 727 GLU 48 CG -0.0067 0.0085 0.0003 728 GLU 48 CD -0.0089 0.0083 -0.0008 729 GLU 48 OE1 -0.0089 0.0080 -0.0007 730 GLU 48 OE2 -0.0107 0.0083 -0.0016 731 GLU 48 H -0.0041 0.0032 0.0027 732 GLU 48 HA -0.0023 0.0083 0.0025 733 GLU 48 HB3 -0.0042 0.0094 0.0013 734 GLU 48 HB2 -0.0054 0.0065 0.0013 735 GLU 48 HG3 -0.0068 0.0074 0.0004 736 GLU 48 HG2 -0.0063 0.0104 0.0000 737 TYR 49 N 0.0007 -0.0068 0.0077 738 TYR 49 CA 0.0027 -0.0103 0.0060 739 TYR 49 C -0.0027 -0.0059 0.0036 740 TYR 49 O -0.0080 -0.0035 -0.0013 741 TYR 49 CB 0.0086 -0.0119 0.0129 742 TYR 49 CG 0.0119 -0.0165 0.0118 743 TYR 49 CD1 0.0142 -0.0230 0.0063 744 TYR 49 CD2 0.0130 -0.0143 0.0164 745 TYR 49 CE1 0.0172 -0.0272 0.0054 746 TYR 49 CE2 0.0161 -0.0185 0.0155 747 TYR 49 CZ 0.0182 -0.0249 0.0100 748 TYR 49 OH 0.0213 -0.0291 0.0090 749 TYR 49 H 0.0008 -0.0091 0.0046 750 TYR 49 HA 0.0038 -0.0151 0.0012 751 TYR 49 HB3 0.0075 -0.0071 0.0177 752 TYR 49 HB2 0.0119 -0.0141 0.0151 753 TYR 49 HD1 0.0135 -0.0249 0.0028 754 TYR 49 HD2 0.0114 -0.0093 0.0208 755 TYR 49 HE1 0.0189 -0.0322 0.0011 756 TYR 49 HE2 0.0168 -0.0167 0.0191 757 TYR 49 HH 0.0224 -0.0334 0.0049 758 MET 50 N -0.0014 -0.0046 0.0074 759 MET 50 CA -0.0060 -0.0006 0.0058 760 MET 50 C -0.0071 0.0058 0.0127 761 MET 50 O -0.0102 0.0094 0.0128 762 MET 50 CB -0.0037 -0.0048 0.0035 763 MET 50 CG -0.0021 -0.0115 -0.0031 764 MET 50 SD 0.0009 -0.0163 -0.0050 765 MET 50 CE -0.0060 -0.0108 -0.0081 766 MET 50 H 0.0030 -0.0065 0.0115 767 MET 50 HA -0.0103 0.0009 0.0010 768 MET 50 HB3 -0.0073 -0.0018 0.0021 769 MET 50 HB2 0.0003 -0.0057 0.0084 770 MET 50 HG3 0.0015 -0.0145 -0.0017 771 MET 50 HG2 -0.0062 -0.0106 -0.0082 772 MET 50 HE1 -0.0050 -0.0130 -0.0096 773 MET 50 HE2 -0.0074 -0.0058 -0.0036 774 MET 50 HE3 -0.0097 -0.0103 -0.0132 775 PHE 51 N 0.0063 0.0023 0.0036 776 PHE 51 CA 0.0051 0.0016 0.0056 777 PHE 51 C 0.0034 0.0018 0.0061 778 PHE 51 O 0.0024 0.0026 0.0047 779 PHE 51 CB 0.0039 0.0018 0.0058 780 PHE 51 CG 0.0054 0.0016 0.0055 781 PHE 51 CD1 0.0073 0.0007 0.0066 782 PHE 51 CD2 0.0050 0.0023 0.0042 783 PHE 51 CE1 0.0087 0.0005 0.0063 784 PHE 51 CE2 0.0064 0.0021 0.0040 785 PHE 51 CZ 0.0083 0.0012 0.0051 786 PHE 51 H 0.0062 0.0028 0.0026 787 PHE 51 HA 0.0063 0.0008 0.0068 788 PHE 51 HB3 0.0029 0.0013 0.0073 789 PHE 51 HB2 0.0027 0.0026 0.0046 790 PHE 51 HD1 0.0077 0.0001 0.0076 791 PHE 51 HD2 0.0035 0.0030 0.0034 792 PHE 51 HE1 0.0102 -0.0002 0.0072 793 PHE 51 HE2 0.0060 0.0026 0.0030 794 PHE 51 HZ 0.0094 0.0011 0.0049 795 MET 52 N 0.0032 0.0009 0.0080 796 MET 52 CA 0.0015 0.0009 0.0087 797 MET 52 C 0.0015 0.0015 0.0075 798 MET 52 O -0.0002 0.0019 0.0073 799 MET 52 CB -0.0009 0.0014 0.0087 800 MET 52 CG -0.0011 0.0011 0.0095 801 MET 52 SD -0.0005 -0.0002 0.0121 802 MET 52 CE -0.0030 -0.0003 0.0133 803 MET 52 H 0.0042 0.0002 0.0090 804 MET 52 HA 0.0017 0.0001 0.0103 805 MET 52 HB3 -0.0021 0.0013 0.0095 806 MET 52 HB2 -0.0013 0.0023 0.0071 807 MET 52 HG3 -0.0027 0.0015 0.0093 808 MET 52 HG2 0.0001 0.0013 0.0086 809 MET 52 HE1 -0.0030 -0.0010 0.0149 810 MET 52 HE2 -0.0045 0.0002 0.0129 811 MET 52 HE3 -0.0032 0.0000 0.0127 812 GLN 53 N 0.0003 0.0053 -0.0081 813 GLN 53 CA 0.0008 0.0053 -0.0074 814 GLN 53 C -0.0000 0.0057 -0.0107 815 GLN 53 O -0.0025 0.0056 -0.0129 816 GLN 53 CB -0.0016 0.0042 -0.0043 817 GLN 53 CG -0.0003 0.0038 -0.0007 818 GLN 53 CD -0.0027 0.0028 0.0023 819 GLN 53 OE1 -0.0046 0.0024 0.0020 820 GLN 53 NE2 -0.0025 0.0023 0.0052 821 GLN 53 H -0.0023 0.0048 -0.0084 822 GLN 53 HA 0.0035 0.0057 -0.0065 823 GLN 53 HB3 -0.0017 0.0042 -0.0043 824 GLN 53 HB2 -0.0043 0.0037 -0.0049 825 GLN 53 HG3 -0.0001 0.0039 -0.0008 826 GLN 53 HG2 0.0024 0.0043 -0.0001 827 GLN 53 HE22 -0.0040 0.0015 0.0073 828 GLN 53 HE21 -0.0009 0.0026 0.0053 829 LYS 54 N 0.0022 0.0063 -0.0112 830 LYS 54 CA 0.0019 0.0068 -0.0145 831 LYS 54 C 0.0002 0.0063 -0.0137 832 LYS 54 O -0.0023 0.0061 -0.0156 833 LYS 54 CB 0.0056 0.0079 -0.0159 834 LYS 54 CG 0.0060 0.0085 -0.0187 835 LYS 54 CD 0.0099 0.0095 -0.0198 836 LYS 54 CE 0.0103 0.0102 -0.0232 837 LYS 54 NZ 0.0141 0.0111 -0.0236 838 LYS 54 H 0.0040 0.0063 -0.0093 839 LYS 54 HA 0.0003 0.0068 -0.0165 840 LYS 54 HB3 0.0075 0.0079 -0.0137 841 LYS 54 HB2 0.0066 0.0083 -0.0170 842 LYS 54 HG3 0.0043 0.0085 -0.0211 843 LYS 54 HG2 0.0052 0.0081 -0.0176 844 LYS 54 HD3 0.0115 0.0094 -0.0176 845 LYS 54 HD2 0.0109 0.0098 -0.0202 846 LYS 54 HE3 0.0093 0.0104 -0.0255 847 LYS 54 HE2 0.0087 0.0098 -0.0230 848 LYS 54 HZ1 0.0157 0.0113 -0.0230 849 LYS 54 HZ2 0.0147 0.0109 -0.0220 850 LYS 54 HZ3 0.0144 0.0116 -0.0262 851 TYR 55 N 0.0026 0.0123 -0.0096 852 TYR 55 CA -0.0000 0.0110 -0.0089 853 TYR 55 C -0.0038 0.0080 -0.0043 854 TYR 55 O -0.0024 0.0070 0.0002 855 TYR 55 CB 0.0045 0.0123 -0.0078 856 TYR 55 CG 0.0076 0.0152 -0.0128 857 TYR 55 CD1 0.0047 0.0160 -0.0181 858 TYR 55 CD2 0.0134 0.0171 -0.0121 859 TYR 55 CE1 0.0076 0.0187 -0.0227 860 TYR 55 CE2 0.0163 0.0197 -0.0167 861 TYR 55 CZ 0.0133 0.0205 -0.0220 862 TYR 55 OH 0.0162 0.0232 -0.0265 863 TYR 55 H 0.0058 0.0124 -0.0068 864 TYR 55 HA -0.0026 0.0115 -0.0128 865 TYR 55 HB3 0.0025 0.0111 -0.0065 866 TYR 55 HB2 0.0074 0.0121 -0.0042 867 TYR 55 HD1 0.0003 0.0146 -0.0187 868 TYR 55 HD2 0.0157 0.0165 -0.0081 869 TYR 55 HE1 0.0053 0.0193 -0.0268 870 TYR 55 HE2 0.0207 0.0212 -0.0162 871 TYR 55 HH 0.0136 0.0233 -0.0295 872 PRO 56 N -0.0087 0.0066 -0.0052 873 PRO 56 CA -0.0129 0.0036 -0.0013 874 PRO 56 C -0.0108 0.0024 0.0042 875 PRO 56 O -0.0131 0.0001 0.0085 876 PRO 56 CB -0.0178 0.0030 -0.0044 877 PRO 56 CG -0.0152 0.0054 -0.0086 878 PRO 56 CD -0.0105 0.0077 -0.0103 879 PRO 56 HA -0.0142 0.0029 -0.0004 880 PRO 56 HB3 -0.0207 0.0027 -0.0066 881 PRO 56 HB2 -0.0196 0.0013 -0.0015 882 PRO 56 HG3 -0.0182 0.0056 -0.0123 883 PRO 56 HG2 -0.0135 0.0053 -0.0067 884 PRO 56 HD2 -0.0071 0.0093 -0.0113 885 PRO 56 HD3 -0.0122 0.0083 -0.0137 886 HIS 57 N -0.0027 0.0056 0.0020 887 HIS 57 CA -0.0019 0.0046 0.0041 888 HIS 57 C -0.0009 0.0040 0.0054 889 HIS 57 O -0.0012 0.0031 0.0073 890 HIS 57 CB -0.0001 0.0048 0.0039 891 HIS 57 CG 0.0008 0.0038 0.0059 892 HIS 57 ND1 0.0027 0.0034 0.0070 893 HIS 57 CD2 0.0001 0.0032 0.0072 894 HIS 57 CE1 0.0031 0.0026 0.0088 895 HIS 57 NE2 0.0015 0.0025 0.0089 896 HIS 57 H -0.0021 0.0062 0.0007 897 HIS 57 HA -0.0034 0.0041 0.0049 898 HIS 57 HB3 0.0014 0.0053 0.0029 899 HIS 57 HB2 -0.0008 0.0052 0.0029 900 HIS 57 HD2 -0.0014 0.0034 0.0066 901 HIS 57 HE1 0.0045 0.0022 0.0099 902 HIS 57 HE2 0.0013 0.0019 0.0100 903 THR 58 N 0.0004 0.0046 0.0043 904 THR 58 CA 0.0014 0.0041 0.0054 905 THR 58 C -0.0003 0.0035 0.0065 906 THR 58 O 0.0000 0.0027 0.0084 907 THR 58 CB 0.0026 0.0050 0.0037 908 THR 58 OG1 0.0043 0.0056 0.0026 909 THR 58 CG2 0.0038 0.0045 0.0048 910 THR 58 H 0.0006 0.0053 0.0028 911 THR 58 HA 0.0028 0.0037 0.0065 912 THR 58 HB 0.0013 0.0054 0.0026 913 THR 58 HG1 0.0058 0.0053 0.0033 914 THR 58 HG21 0.0046 0.0051 0.0036 915 THR 58 HG22 0.0025 0.0041 0.0056 916 THR 58 HG23 0.0051 0.0040 0.0059 917 HIS 59 N -0.0038 -0.0041 0.0027 918 HIS 59 CA -0.0048 -0.0059 0.0035 919 HIS 59 C -0.0045 -0.0055 0.0030 920 HIS 59 O -0.0051 -0.0059 0.0043 921 HIS 59 CB -0.0054 -0.0082 0.0024 922 HIS 59 CG -0.0064 -0.0101 0.0031 923 HIS 59 ND1 -0.0066 -0.0115 0.0019 924 HIS 59 CD2 -0.0074 -0.0107 0.0053 925 HIS 59 CE1 -0.0076 -0.0129 0.0033 926 HIS 59 NE2 -0.0081 -0.0124 0.0054 927 HIS 59 H -0.0036 -0.0046 0.0015 928 HIS 59 HA -0.0054 -0.0057 0.0054 929 HIS 59 HB3 -0.0048 -0.0082 0.0006 930 HIS 59 HB2 -0.0056 -0.0084 0.0029 931 HIS 59 HD2 -0.0075 -0.0098 0.0065 932 HIS 59 HE1 -0.0079 -0.0141 0.0028 933 HIS 59 HE2 -0.0090 -0.0131 0.0070 934 LEU 60 N -0.0035 -0.0048 0.0010 935 LEU 60 CA -0.0031 -0.0045 0.0002 936 LEU 60 C -0.0028 -0.0026 0.0017 937 LEU 60 O -0.0030 -0.0027 0.0021 938 LEU 60 CB -0.0021 -0.0041 -0.0023 939 LEU 60 CG -0.0024 -0.0062 -0.0039 940 LEU 60 CD1 -0.0013 -0.0056 -0.0062 941 LEU 60 CD2 -0.0031 -0.0080 -0.0040 942 LEU 60 H -0.0030 -0.0044 -0.0000 943 LEU 60 HA -0.0038 -0.0060 0.0004 944 LEU 60 HB3 -0.0017 -0.0036 -0.0028 945 LEU 60 HB2 -0.0014 -0.0027 -0.0026 946 LEU 60 HG -0.0029 -0.0069 -0.0032 947 LEU 60 HD11 -0.0015 -0.0071 -0.0074 948 LEU 60 HD12 -0.0009 -0.0044 -0.0061 949 LEU 60 HD13 -0.0008 -0.0049 -0.0070 950 LEU 60 HD21 -0.0033 -0.0095 -0.0052 951 LEU 60 HD22 -0.0025 -0.0073 -0.0047 952 LEU 60 HD23 -0.0038 -0.0084 -0.0023 953 VAL 61 N -0.0007 -0.0023 0.0038 954 VAL 61 CA -0.0002 -0.0012 0.0051 955 VAL 61 C -0.0009 -0.0018 0.0068 956 VAL 61 O -0.0010 -0.0017 0.0077 957 VAL 61 CB 0.0007 0.0002 0.0052 958 VAL 61 CG1 0.0010 0.0012 0.0067 959 VAL 61 CG2 0.0014 0.0009 0.0036 960 VAL 61 H -0.0004 -0.0020 0.0033 961 VAL 61 HA -0.0001 -0.0011 0.0047 962 VAL 61 HB 0.0005 -0.0000 0.0053 963 VAL 61 HG11 0.0016 0.0022 0.0068 964 VAL 61 HG12 0.0005 0.0006 0.0078 965 VAL 61 HG13 0.0011 0.0014 0.0067 966 VAL 61 HG21 0.0020 0.0019 0.0037 967 VAL 61 HG22 0.0015 0.0011 0.0035 968 VAL 61 HG23 0.0012 0.0003 0.0026 969 GLN 62 N -0.0014 -0.0025 0.0071 970 GLN 62 CA -0.0021 -0.0032 0.0087 971 GLN 62 C -0.0028 -0.0042 0.0089 972 GLN 62 O -0.0031 -0.0043 0.0103 973 GLN 62 CB -0.0026 -0.0039 0.0088 974 GLN 62 CG -0.0020 -0.0029 0.0091 975 GLN 62 CD -0.0024 -0.0037 0.0089 976 GLN 62 OE1 -0.0026 -0.0043 0.0076 977 GLN 62 NE2 -0.0026 -0.0036 0.0103 978 GLN 62 H -0.0013 -0.0026 0.0063 979 GLN 62 HA -0.0017 -0.0023 0.0097 980 GLN 62 HB3 -0.0032 -0.0046 0.0097 981 GLN 62 HB2 -0.0028 -0.0046 0.0076 982 GLN 62 HG3 -0.0013 -0.0021 0.0082 983 GLN 62 HG2 -0.0019 -0.0023 0.0103 984 GLN 62 HE22 -0.0029 -0.0041 0.0102 985 GLN 62 HE21 -0.0025 -0.0031 0.0114 986 GLN 63 N -0.0043 -0.0043 0.0050 987 GLN 63 CA -0.0046 -0.0045 0.0051 988 GLN 63 C -0.0031 -0.0015 0.0055 989 GLN 63 O -0.0042 -0.0004 0.0070 990 GLN 63 CB -0.0037 -0.0072 0.0029 991 GLN 63 CG -0.0056 -0.0104 0.0028 992 GLN 63 CD -0.0052 -0.0128 0.0012 993 GLN 63 OE1 -0.0030 -0.0134 -0.0009 994 GLN 63 NE2 -0.0073 -0.0141 0.0022 995 GLN 63 H -0.0032 -0.0055 0.0034 996 GLN 63 HA -0.0068 -0.0050 0.0067 997 GLN 63 HB3 -0.0033 -0.0069 0.0028 998 GLN 63 HB2 -0.0017 -0.0071 0.0013 999 GLN 63 HG3 -0.0053 -0.0112 0.0021 1000 GLN 63 HG2 -0.0077 -0.0104 0.0046 1001 GLN 63 HE22 -0.0071 -0.0156 0.0012 1002 GLN 63 HE21 -0.0090 -0.0134 0.0040 1003 ALA 64 N -0.0005 -0.0002 0.0040 1004 ALA 64 CA 0.0013 0.0027 0.0041 1005 ALA 64 C 0.0001 0.0054 0.0065 1006 ALA 64 O 0.0003 0.0075 0.0075 1007 ALA 64 CB 0.0042 0.0034 0.0021 1008 ALA 64 H 0.0003 -0.0013 0.0028 1009 ALA 64 HA 0.0013 0.0024 0.0040 1010 ALA 64 HB1 0.0055 0.0056 0.0022 1011 ALA 64 HB2 0.0050 0.0014 0.0004 1012 ALA 64 HB3 0.0043 0.0036 0.0022 1013 ASN 65 N -0.0019 0.0048 0.0002 1014 ASN 65 CA -0.0041 0.0048 -0.0018 1015 ASN 65 C -0.0029 0.0055 -0.0008 1016 ASN 65 O -0.0036 0.0082 -0.0015 1017 ASN 65 CB -0.0062 0.0077 -0.0040 1018 ASN 65 CG -0.0087 0.0073 -0.0064 1019 ASN 65 OD1 -0.0105 0.0099 -0.0083 1020 ASN 65 ND2 -0.0091 0.0046 -0.0067 1021 ASN 65 H -0.0021 0.0028 0.0001 1022 ASN 65 HA -0.0051 0.0020 -0.0027 1023 ASN 65 HB3 -0.0053 0.0105 -0.0033 1024 ASN 65 HB2 -0.0067 0.0075 -0.0045 1025 ASN 65 HD22 -0.0108 0.0043 -0.0083 1026 ASN 65 HD21 -0.0077 0.0026 -0.0052 1027 PRO 66 N -0.0011 0.0030 0.0010 1028 PRO 66 CA 0.0001 0.0036 0.0022 1029 PRO 66 C -0.0018 0.0026 0.0004 1030 PRO 66 O -0.0040 0.0009 -0.0016 1031 PRO 66 CB 0.0025 0.0010 0.0046 1032 PRO 66 CG 0.0016 -0.0021 0.0039 1033 PRO 66 CD -0.0002 -0.0004 0.0021 1034 PRO 66 HA 0.0008 0.0065 0.0028 1035 PRO 66 HB3 0.0043 0.0025 0.0062 1036 PRO 66 HB2 0.0029 -0.0000 0.0050 1037 PRO 66 HG3 0.0034 -0.0033 0.0056 1038 PRO 66 HG2 0.0004 -0.0042 0.0028 1039 PRO 66 HD2 -0.0019 -0.0023 0.0005 1040 PRO 66 HD3 0.0011 0.0003 0.0033 1041 ARG 67 N -0.0014 -0.0140 -0.0107 1042 ARG 67 CA -0.0029 -0.0098 -0.0084 1043 ARG 67 C -0.0035 -0.0075 -0.0075 1044 ARG 67 O -0.0021 -0.0066 -0.0103 1045 ARG 67 CB -0.0019 -0.0063 -0.0106 1046 ARG 67 CG -0.0030 -0.0013 -0.0093 1047 ARG 67 CD -0.0054 -0.0006 -0.0050 1048 ARG 67 NE -0.0059 -0.0041 -0.0037 1049 ARG 67 CZ -0.0079 -0.0047 0.0001 1050 ARG 67 NH1 -0.0097 -0.0020 0.0030 1051 ARG 67 NH2 -0.0082 -0.0080 0.0010 1052 ARG 67 H 0.0001 -0.0140 -0.0134 1053 ARG 67 HA -0.0045 -0.0107 -0.0055 1054 ARG 67 HB3 -0.0001 -0.0064 -0.0139 1055 ARG 67 HB2 -0.0020 -0.0074 -0.0103 1056 ARG 67 HG3 -0.0030 -0.0003 -0.0094 1057 ARG 67 HG2 -0.0019 0.0010 -0.0115 1058 ARG 67 HD3 -0.0065 -0.0005 -0.0029 1059 ARG 67 HD2 -0.0056 0.0028 -0.0050 1060 ARG 67 HE -0.0045 -0.0061 -0.0059 1061 ARG 67 HH12 -0.0112 -0.0025 0.0058 1062 ARG 67 HH11 -0.0094 0.0005 0.0023 1063 ARG 67 HH22 -0.0098 -0.0085 0.0039 1064 ARG 67 HH21 -0.0069 -0.0101 -0.0012 1065 GLY 68 N -0.0057 -0.0067 -0.0037 1066 GLY 68 CA -0.0066 -0.0044 -0.0024 1067 GLY 68 C -0.0067 -0.0078 -0.0018 1068 GLY 68 O -0.0072 -0.0064 -0.0010 1069 GLY 68 H -0.0068 -0.0078 -0.0015 1070 GLY 68 HA3 -0.0055 -0.0018 -0.0047 1071 GLY 68 HA2 -0.0082 -0.0027 0.0004 1072 SER 69 N -0.0049 -0.0066 -0.0031 1073 SER 69 CA -0.0045 -0.0068 -0.0016 1074 SER 69 C -0.0047 -0.0067 -0.0021 1075 SER 69 O -0.0038 -0.0060 -0.0030 1076 SER 69 CB -0.0028 -0.0060 -0.0008 1077 SER 69 OG -0.0017 -0.0051 -0.0018 1078 SER 69 H -0.0041 -0.0059 -0.0038 1079 SER 69 HA -0.0053 -0.0075 -0.0007 1080 SER 69 HB3 -0.0027 -0.0060 -0.0005 1081 SER 69 HB2 -0.0026 -0.0063 0.0005 1082 SER 69 HG -0.0015 -0.0048 -0.0027 1083 ALA 70 N -0.0058 -0.0075 -0.0015 1084 ALA 70 CA -0.0061 -0.0076 -0.0018 1085 ALA 70 C -0.0050 -0.0073 -0.0005 1086 ALA 70 O -0.0044 -0.0074 0.0009 1087 ALA 70 CB -0.0078 -0.0086 -0.0017 1088 ALA 70 H -0.0065 -0.0081 -0.0007 1089 ALA 70 HA -0.0058 -0.0071 -0.0031 1090 ALA 70 HB1 -0.0080 -0.0086 -0.0020 1091 ALA 70 HB2 -0.0086 -0.0088 -0.0026 1092 ALA 70 HB3 -0.0081 -0.0091 -0.0004 1093 GLY 71 N 0.0070 0.0106 0.0209 1094 GLY 71 CA 0.0048 0.0092 0.0184 1095 GLY 71 C 0.0067 0.0096 0.0151 1096 GLY 71 O 0.0095 0.0110 0.0150 1097 GLY 71 H 0.0072 0.0110 0.0230 1098 GLY 71 HA3 0.0036 0.0087 0.0194 1099 GLY 71 HA2 0.0032 0.0083 0.0179 1100 PRO 72 N 0.0051 0.0084 0.0124 1101 PRO 72 CA 0.0068 0.0088 0.0092 1102 PRO 72 C 0.0087 0.0098 0.0097 1103 PRO 72 O 0.0077 0.0096 0.0117 1104 PRO 72 CB 0.0042 0.0072 0.0068 1105 PRO 72 CG 0.0014 0.0060 0.0085 1106 PRO 72 CD 0.0017 0.0067 0.0122 1107 PRO 72 HA 0.0083 0.0094 0.0084 1108 PRO 72 HB3 0.0048 0.0071 0.0044 1109 PRO 72 HB2 0.0039 0.0070 0.0065 1110 PRO 72 HG3 0.0012 0.0058 0.0078 1111 PRO 72 HG2 -0.0006 0.0049 0.0078 1112 PRO 72 HD2 0.0010 0.0065 0.0130 1113 PRO 72 HD3 0.0006 0.0063 0.0135 1114 CYS 73 N 0.0059 0.0065 0.0002 1115 CYS 73 CA 0.0045 0.0044 -0.0016 1116 CYS 73 C 0.0043 0.0015 -0.0025 1117 CYS 73 O 0.0059 0.0006 -0.0015 1118 CYS 73 CB 0.0058 0.0034 -0.0009 1119 CYS 73 SG 0.0090 0.0015 0.0012 1120 CYS 73 H 0.0077 0.0059 0.0015 1121 CYS 73 HA 0.0027 0.0056 -0.0028 1122 CYS 73 HB3 0.0056 0.0054 -0.0004 1123 CYS 73 HB2 0.0047 0.0018 -0.0022 1124 CYS 74 N 0.0023 0.0003 -0.0045 1125 CYS 74 CA 0.0020 -0.0025 -0.0056 1126 CYS 74 C 0.0036 -0.0052 -0.0051 1127 CYS 74 O 0.0032 -0.0060 -0.0057 1128 CYS 74 CB -0.0007 -0.0029 -0.0080 1129 CYS 74 SG -0.0013 -0.0061 -0.0094 1130 CYS 74 H 0.0010 0.0013 -0.0053 1131 CYS 74 HA 0.0026 -0.0024 -0.0051 1132 CYS 74 HB3 -0.0013 -0.0031 -0.0085 1133 CYS 74 HB2 -0.0019 -0.0007 -0.0083 1134 THR 75 N -0.0040 -0.0084 -0.0030 1135 THR 75 CA -0.0045 -0.0099 -0.0021 1136 THR 75 C -0.0044 -0.0104 -0.0005 1137 THR 75 O -0.0036 -0.0095 0.0001 1138 THR 75 CB -0.0042 -0.0096 -0.0015 1139 THR 75 OG1 -0.0050 -0.0111 -0.0011 1140 THR 75 CG2 -0.0031 -0.0088 0.0001 1141 THR 75 H -0.0033 -0.0077 -0.0024 1142 THR 75 HA -0.0054 -0.0107 -0.0029 1143 THR 75 HB -0.0041 -0.0089 -0.0026 1144 THR 75 HG1 -0.0051 -0.0110 -0.0016 1145 THR 75 HG21 -0.0029 -0.0087 0.0004 1146 THR 75 HG22 -0.0025 -0.0077 -0.0003 1147 THR 75 HG23 -0.0032 -0.0095 0.0011 1148 PRO 76 N -0.0051 -0.0119 0.0002 1149 PRO 76 CA -0.0049 -0.0125 0.0017 1150 PRO 76 C -0.0039 -0.0118 0.0033 1151 PRO 76 O -0.0037 -0.0116 0.0037 1152 PRO 76 CB -0.0059 -0.0142 0.0021 1153 PRO 76 CG -0.0067 -0.0146 0.0004 1154 PRO 76 CD -0.0061 -0.0132 -0.0005 1155 PRO 76 HA -0.0049 -0.0123 0.0014 1156 PRO 76 HB3 -0.0062 -0.0148 0.0025 1157 PRO 76 HB2 -0.0057 -0.0145 0.0030 1158 PRO 76 HG3 -0.0071 -0.0148 -0.0004 1159 PRO 76 HG2 -0.0073 -0.0156 0.0006 1160 PRO 76 HD2 -0.0060 -0.0133 -0.0001 1161 PRO 76 HD3 -0.0065 -0.0131 -0.0019 1162 THR 77 N -0.0096 -0.0029 -0.0095 1163 THR 77 CA -0.0079 -0.0031 -0.0092 1164 THR 77 C -0.0087 -0.0034 -0.0068 1165 THR 77 O -0.0077 -0.0036 -0.0063 1166 THR 77 CB -0.0050 -0.0035 -0.0088 1167 THR 77 OG1 -0.0049 -0.0038 -0.0068 1168 THR 77 CG2 -0.0039 -0.0032 -0.0114 1169 THR 77 H -0.0096 -0.0031 -0.0082 1170 THR 77 HA -0.0080 -0.0029 -0.0109 1171 THR 77 HB -0.0038 -0.0037 -0.0083 1172 THR 77 HG1 -0.0059 -0.0036 -0.0073 1173 THR 77 HG21 -0.0018 -0.0034 -0.0112 1174 THR 77 HG22 -0.0040 -0.0029 -0.0130 1175 THR 77 HG23 -0.0050 -0.0030 -0.0120 1176 LYS 78 N -0.0107 -0.0035 -0.0053 1177 LYS 78 CA -0.0119 -0.0037 -0.0031 1178 LYS 78 C -0.0148 -0.0035 -0.0027 1179 LYS 78 O -0.0153 -0.0035 -0.0026 1180 LYS 78 CB -0.0103 -0.0043 -0.0005 1181 LYS 78 CG -0.0113 -0.0045 0.0018 1182 LYS 78 CD -0.0097 -0.0051 0.0043 1183 LYS 78 CE -0.0109 -0.0054 0.0067 1184 LYS 78 NZ -0.0094 -0.0059 0.0091 1185 LYS 78 H -0.0113 -0.0034 -0.0057 1186 LYS 78 HA -0.0119 -0.0037 -0.0035 1187 LYS 78 HB3 -0.0104 -0.0044 0.0000 1188 LYS 78 HB2 -0.0082 -0.0044 -0.0009 1189 LYS 78 HG3 -0.0111 -0.0045 0.0013 1190 LYS 78 HG2 -0.0134 -0.0044 0.0022 1191 LYS 78 HD3 -0.0098 -0.0052 0.0047 1192 LYS 78 HD2 -0.0076 -0.0052 0.0040 1193 LYS 78 HE3 -0.0108 -0.0053 0.0063 1194 LYS 78 HE2 -0.0130 -0.0052 0.0069 1195 LYS 78 HZ1 -0.0095 -0.0059 0.0095 1196 LYS 78 HZ2 -0.0102 -0.0061 0.0106 1197 LYS 78 HZ3 -0.0075 -0.0060 0.0089 1198 MET 79 N -0.0169 -0.0110 -0.0019 1199 MET 79 CA -0.0152 -0.0072 -0.0007 1200 MET 79 C -0.0171 -0.0001 -0.0012 1201 MET 79 O -0.0214 0.0015 -0.0035 1202 MET 79 CB -0.0177 -0.0100 -0.0023 1203 MET 79 CG -0.0161 -0.0171 -0.0020 1204 MET 79 SD -0.0090 -0.0181 0.0019 1205 MET 79 CE -0.0101 -0.0154 0.0015 1206 MET 79 H -0.0211 -0.0110 -0.0043 1207 MET 79 HA -0.0105 -0.0075 0.0019 1208 MET 79 HB3 -0.0164 -0.0071 -0.0014 1209 MET 79 HB2 -0.0223 -0.0093 -0.0048 1210 MET 79 HG3 -0.0191 -0.0191 -0.0038 1211 MET 79 HG2 -0.0164 -0.0198 -0.0024 1212 MET 79 HE1 -0.0061 -0.0157 0.0037 1213 MET 79 HE2 -0.0132 -0.0185 -0.0005 1214 MET 79 HE3 -0.0118 -0.0104 0.0009 1215 SER 80 N -0.0138 0.0042 0.0010 1216 SER 80 CA -0.0154 0.0111 0.0006 1217 SER 80 C -0.0155 0.0136 0.0008 1218 SER 80 O -0.0124 0.0111 0.0023 1219 SER 80 CB -0.0114 0.0151 0.0032 1220 SER 80 OG -0.0130 0.0149 0.0023 1221 SER 80 H -0.0100 0.0027 0.0029 1222 SER 80 HA -0.0197 0.0118 -0.0017 1223 SER 80 HB3 -0.0116 0.0202 0.0034 1224 SER 80 HB2 -0.0070 0.0133 0.0054 1225 SER 80 HG -0.0116 0.0109 0.0027 1226 PRO 81 N -0.0013 0.0098 0.0038 1227 PRO 81 CA -0.0013 0.0088 0.0037 1228 PRO 81 C -0.0003 0.0093 0.0031 1229 PRO 81 O 0.0004 0.0106 0.0028 1230 PRO 81 CB -0.0027 0.0090 0.0046 1231 PRO 81 CG -0.0030 0.0106 0.0050 1232 PRO 81 CD -0.0022 0.0109 0.0046 1233 PRO 81 HA -0.0012 0.0076 0.0035 1234 PRO 81 HB3 -0.0033 0.0082 0.0050 1235 PRO 81 HB2 -0.0026 0.0089 0.0046 1236 PRO 81 HG3 -0.0040 0.0107 0.0057 1237 PRO 81 HG2 -0.0026 0.0114 0.0048 1238 PRO 81 HD2 -0.0018 0.0121 0.0044 1239 PRO 81 HD3 -0.0029 0.0107 0.0050 1240 ILE 82 N -0.0001 0.0084 0.0029 1241 ILE 82 CA 0.0006 0.0089 0.0025 1242 ILE 82 C -0.0003 0.0085 0.0030 1243 ILE 82 O -0.0011 0.0074 0.0034 1244 ILE 82 CB 0.0019 0.0083 0.0016 1245 ILE 82 CG1 0.0018 0.0065 0.0014 1246 ILE 82 CG2 0.0029 0.0090 0.0010 1247 ILE 82 CD1 0.0031 0.0058 0.0006 1248 ILE 82 H -0.0004 0.0073 0.0030 1249 ILE 82 HA 0.0007 0.0102 0.0026 1250 ILE 82 HB 0.0023 0.0087 0.0014 1251 ILE 82 HG13 0.0010 0.0061 0.0019 1252 ILE 82 HG12 0.0016 0.0061 0.0015 1253 ILE 82 HG21 0.0038 0.0085 0.0003 1254 ILE 82 HG22 0.0030 0.0102 0.0011 1255 ILE 82 HG23 0.0025 0.0086 0.0012 1256 ILE 82 HD11 0.0029 0.0046 0.0005 1257 ILE 82 HD12 0.0032 0.0062 0.0005 1258 ILE 82 HD13 0.0039 0.0062 0.0001 1259 ASN 83 N 0.0040 0.0003 0.0064 1260 ASN 83 CA 0.0017 -0.0007 0.0075 1261 ASN 83 C -0.0001 -0.0016 0.0060 1262 ASN 83 O 0.0002 -0.0015 0.0052 1263 ASN 83 CB 0.0016 -0.0006 0.0102 1264 ASN 83 CG 0.0034 0.0003 0.0118 1265 ASN 83 OD1 0.0033 0.0002 0.0121 1266 ASN 83 ND2 0.0049 0.0010 0.0129 1267 ASN 83 H 0.0049 0.0007 0.0071 1268 ASN 83 HA 0.0014 -0.0008 0.0074 1269 ASN 83 HB3 -0.0001 -0.0013 0.0110 1270 ASN 83 HB2 0.0019 -0.0005 0.0103 1271 ASN 83 HD22 0.0062 0.0016 0.0140 1272 ASN 83 HD21 0.0049 0.0010 0.0126 1273 MET 84 N -0.0020 -0.0024 0.0055 1274 MET 84 CA -0.0038 -0.0033 0.0039 1275 MET 84 C -0.0061 -0.0043 0.0051 1276 MET 84 O -0.0065 -0.0044 0.0064 1277 MET 84 CB -0.0036 -0.0034 0.0013 1278 MET 84 CG -0.0014 -0.0024 -0.0001 1279 MET 84 SD -0.0013 -0.0026 -0.0033 1280 MET 84 CE -0.0030 -0.0034 -0.0048 1281 MET 84 H -0.0022 -0.0025 0.0062 1282 MET 84 HA -0.0035 -0.0032 0.0038 1283 MET 84 HB3 -0.0051 -0.0040 0.0002 1284 MET 84 HB2 -0.0039 -0.0035 0.0014 1285 MET 84 HG3 0.0000 -0.0017 0.0009 1286 MET 84 HG2 -0.0010 -0.0023 -0.0000 1287 MET 84 HE1 -0.0031 -0.0035 -0.0068 1288 MET 84 HE2 -0.0047 -0.0041 -0.0039 1289 MET 84 HE3 -0.0022 -0.0030 -0.0045 1290 LEU 85 N -0.0086 -0.0059 0.0045 1291 LEU 85 CA -0.0095 -0.0048 0.0044 1292 LEU 85 C -0.0106 -0.0029 0.0039 1293 LEU 85 O -0.0115 -0.0027 0.0047 1294 LEU 85 CB -0.0105 -0.0055 0.0061 1295 LEU 85 CG -0.0110 -0.0048 0.0061 1296 LEU 85 CD1 -0.0095 -0.0055 0.0051 1297 LEU 85 CD2 -0.0122 -0.0054 0.0079 1298 LEU 85 H -0.0093 -0.0061 0.0054 1299 LEU 85 HA -0.0086 -0.0048 0.0034 1300 LEU 85 HB3 -0.0115 -0.0052 0.0070 1301 LEU 85 HB2 -0.0098 -0.0069 0.0067 1302 LEU 85 HG -0.0116 -0.0034 0.0054 1303 LEU 85 HD11 -0.0099 -0.0050 0.0051 1304 LEU 85 HD12 -0.0087 -0.0050 0.0038 1305 LEU 85 HD13 -0.0088 -0.0069 0.0058 1306 LEU 85 HD21 -0.0125 -0.0049 0.0079 1307 LEU 85 HD22 -0.0116 -0.0068 0.0086 1308 LEU 85 HD23 -0.0132 -0.0048 0.0086 1309 TYR 86 N -0.0104 -0.0017 0.0024 1310 TYR 86 CA -0.0112 0.0001 0.0017 1311 TYR 86 C -0.0115 0.0015 0.0006 1312 TYR 86 O -0.0107 0.0011 0.0002 1313 TYR 86 CB -0.0102 0.0001 0.0005 1314 TYR 86 CG -0.0085 -0.0003 -0.0009 1315 TYR 86 CD1 -0.0071 -0.0020 -0.0008 1316 TYR 86 CD2 -0.0082 0.0011 -0.0025 1317 TYR 86 CE1 -0.0056 -0.0023 -0.0021 1318 TYR 86 CE2 -0.0067 0.0008 -0.0039 1319 TYR 86 CZ -0.0054 -0.0009 -0.0037 1320 TYR 86 OH -0.0039 -0.0012 -0.0050 1321 TYR 86 H -0.0097 -0.0019 0.0019 1322 TYR 86 HA -0.0124 0.0004 0.0027 1323 TYR 86 HB3 -0.0100 -0.0009 0.0013 1324 TYR 86 HB2 -0.0108 0.0014 0.0001 1325 TYR 86 HD1 -0.0073 -0.0031 0.0004 1326 TYR 86 HD2 -0.0092 0.0025 -0.0027 1327 TYR 86 HE1 -0.0046 -0.0036 -0.0020 1328 TYR 86 HE2 -0.0065 0.0019 -0.0051 1329 TYR 86 HH -0.0031 -0.0025 -0.0047 1330 PHE 87 N 0.0021 -0.0002 0.0046 1331 PHE 87 CA 0.0045 -0.0004 0.0058 1332 PHE 87 C 0.0028 -0.0013 0.0087 1333 PHE 87 O 0.0016 -0.0020 0.0114 1334 PHE 87 CB 0.0082 -0.0006 0.0072 1335 PHE 87 CG 0.0105 0.0003 0.0044 1336 PHE 87 CD1 0.0127 0.0010 0.0023 1337 PHE 87 CD2 0.0107 0.0004 0.0040 1338 PHE 87 CE1 0.0149 0.0018 -0.0003 1339 PHE 87 CE2 0.0129 0.0012 0.0015 1340 PHE 87 CZ 0.0150 0.0019 -0.0007 1341 PHE 87 H 0.0022 -0.0005 0.0060 1342 PHE 87 HA 0.0051 0.0002 0.0036 1343 PHE 87 HB3 0.0097 -0.0009 0.0086 1344 PHE 87 HB2 0.0076 -0.0012 0.0093 1345 PHE 87 HD1 0.0126 0.0009 0.0026 1346 PHE 87 HD2 0.0091 -0.0001 0.0057 1347 PHE 87 HE1 0.0166 0.0023 -0.0019 1348 PHE 87 HE2 0.0130 0.0013 0.0012 1349 PHE 87 HZ 0.0167 0.0025 -0.0027 1350 ASN 88 N 0.0026 -0.0011 0.0082 1351 ASN 88 CA 0.0013 -0.0019 0.0109 1352 ASN 88 C 0.0044 -0.0025 0.0136 1353 ASN 88 O 0.0074 -0.0023 0.0134 1354 ASN 88 CB -0.0003 -0.0016 0.0094 1355 ASN 88 CG 0.0025 -0.0009 0.0074 1356 ASN 88 OD1 0.0058 -0.0008 0.0075 1357 ASN 88 ND2 0.0011 -0.0005 0.0056 1358 ASN 88 H 0.0034 -0.0004 0.0058 1359 ASN 88 HA -0.0009 -0.0024 0.0123 1360 ASN 88 HB3 -0.0026 -0.0012 0.0076 1361 ASN 88 HB2 -0.0015 -0.0022 0.0115 1362 ASN 88 HD22 0.0029 -0.0000 0.0042 1363 ASN 88 HD21 -0.0016 -0.0006 0.0055 1364 ASP 89 N 0.0182 -0.0093 -0.0117 1365 ASP 89 CA 0.0088 -0.0023 -0.0220 1366 ASP 89 C -0.0042 -0.0006 -0.0172 1367 ASP 89 O -0.0153 0.0045 -0.0218 1368 ASP 89 CB 0.0167 0.0006 -0.0341 1369 ASP 89 CG 0.0234 -0.0029 -0.0305 1370 ASP 89 OD1 0.0264 -0.0087 -0.0189 1371 ASP 89 OD2 0.0258 0.0002 -0.0395 1372 ASP 89 H 0.0283 -0.0113 -0.0139 1373 ASP 89 HA 0.0054 0.0000 -0.0252 1374 ASP 89 HB3 0.0247 0.0002 -0.0387 1375 ASP 89 HB2 0.0096 0.0058 -0.0416 1376 LYS 90 N -0.0028 -0.0049 -0.0081 1377 LYS 90 CA -0.0147 -0.0039 -0.0024 1378 LYS 90 C -0.0228 -0.0066 0.0095 1379 LYS 90 O -0.0324 -0.0066 0.0161 1380 LYS 90 CB -0.0098 -0.0071 0.0018 1381 LYS 90 CG -0.0030 -0.0043 -0.0094 1382 LYS 90 CD 0.0069 -0.0094 -0.0039 1383 LYS 90 CE 0.0109 -0.0065 -0.0136 1384 LYS 90 NZ 0.0162 -0.0110 -0.0064 1385 LYS 90 H 0.0066 -0.0089 -0.0049 1386 LYS 90 HA -0.0217 0.0014 -0.0101 1387 LYS 90 HB3 -0.0187 -0.0067 0.0069 1388 LYS 90 HB2 -0.0027 -0.0123 0.0094 1389 LYS 90 HG3 0.0028 -0.0028 -0.0168 1390 LYS 90 HG2 -0.0109 -0.0000 -0.0140 1391 LYS 90 HD3 0.0021 -0.0120 0.0055 1392 LYS 90 HD2 0.0163 -0.0131 -0.0017 1393 LYS 90 HE3 0.0190 -0.0056 -0.0212 1394 LYS 90 HE2 0.0019 -0.0018 -0.0184 1395 LYS 90 HZ1 0.0087 -0.0118 0.0006 1396 LYS 90 HZ2 0.0188 -0.0090 -0.0130 1397 LYS 90 HZ3 0.0246 -0.0153 -0.0020 1398 GLN 91 N 0.0092 -0.0055 0.0164 1399 GLN 91 CA 0.0105 -0.0053 0.0107 1400 GLN 91 C 0.0101 -0.0041 0.0081 1401 GLN 91 O 0.0121 -0.0053 0.0040 1402 GLN 91 CB 0.0143 -0.0095 0.0094 1403 GLN 91 CG 0.0150 -0.0109 0.0118 1404 GLN 91 CD 0.0128 -0.0079 0.0101 1405 GLN 91 OE1 0.0119 -0.0056 0.0059 1406 GLN 91 NE2 0.0119 -0.0078 0.0135 1407 GLN 91 H 0.0071 -0.0035 0.0180 1408 GLN 91 HA 0.0089 -0.0030 0.0092 1409 GLN 91 HB3 0.0152 -0.0093 0.0051 1410 GLN 91 HB2 0.0160 -0.0118 0.0106 1411 GLN 91 HG3 0.0178 -0.0139 0.0107 1412 GLN 91 HG2 0.0143 -0.0114 0.0160 1413 GLN 91 HE22 0.0105 -0.0059 0.0126 1414 GLN 91 HE21 0.0127 -0.0097 0.0169 1415 GLN 92 N 0.0074 -0.0017 0.0104 1416 GLN 92 CA 0.0065 0.0001 0.0080 1417 GLN 92 C 0.0041 0.0040 0.0042 1418 GLN 92 O 0.0021 0.0061 0.0050 1419 GLN 92 CB 0.0046 0.0011 0.0121 1420 GLN 92 CG 0.0068 -0.0025 0.0159 1421 GLN 92 CD 0.0047 -0.0013 0.0205 1422 GLN 92 OE1 0.0016 0.0016 0.0225 1423 GLN 92 NE2 0.0062 -0.0036 0.0222 1424 GLN 92 H 0.0060 -0.0010 0.0140 1425 GLN 92 HA 0.0089 -0.0020 0.0058 1426 GLN 92 HB3 0.0037 0.0027 0.0101 1427 GLN 92 HB2 0.0022 0.0034 0.0142 1428 GLN 92 HG3 0.0081 -0.0044 0.0173 1429 GLN 92 HG2 0.0089 -0.0044 0.0138 1430 GLN 92 HE22 0.0049 -0.0030 0.0253 1431 GLN 92 HE21 0.0087 -0.0060 0.0205 1432 ILE 93 N 0.0035 0.0178 -0.0049 1433 ILE 93 CA 0.0007 0.0168 -0.0058 1434 ILE 93 C -0.0070 0.0145 -0.0092 1435 ILE 93 O -0.0092 0.0171 -0.0150 1436 ILE 93 CB 0.0042 0.0217 -0.0098 1437 ILE 93 CG1 0.0120 0.0239 -0.0062 1438 ILE 93 CG2 0.0010 0.0204 -0.0108 1439 ILE 93 CD1 0.0160 0.0294 -0.0105 1440 ILE 93 H 0.0062 0.0216 -0.0079 1441 ILE 93 HA 0.0016 0.0139 -0.0009 1442 ILE 93 HB 0.0035 0.0246 -0.0146 1443 ILE 93 HG13 0.0140 0.0239 -0.0045 1444 ILE 93 HG12 0.0128 0.0213 -0.0018 1445 ILE 93 HG21 0.0036 0.0240 -0.0136 1446 ILE 93 HG22 -0.0045 0.0190 -0.0135 1447 ILE 93 HG23 0.0016 0.0174 -0.0060 1448 ILE 93 HD11 0.0215 0.0307 -0.0077 1449 ILE 93 HD12 0.0154 0.0320 -0.0148 1450 ILE 93 HD13 0.0142 0.0293 -0.0121 1451 ILE 94 N -0.0111 0.0095 -0.0057 1452 ILE 94 CA -0.0186 0.0068 -0.0084 1453 ILE 94 C -0.0219 0.0050 -0.0087 1454 ILE 94 O -0.0203 0.0027 -0.0040 1455 ILE 94 CB -0.0216 0.0020 -0.0042 1456 ILE 94 CG1 -0.0184 0.0037 -0.0038 1457 ILE 94 CG2 -0.0295 -0.0008 -0.0070 1458 ILE 94 CD1 -0.0199 0.0075 -0.0105 1459 ILE 94 H -0.0090 0.0075 -0.0011 1460 ILE 94 HA -0.0198 0.0096 -0.0134 1461 ILE 94 HB -0.0204 -0.0007 0.0008 1462 ILE 94 HG13 -0.0203 0.0002 -0.0005 1463 ILE 94 HG12 -0.0128 0.0055 -0.0015 1464 ILE 94 HG21 -0.0315 -0.0041 -0.0040 1465 ILE 94 HG22 -0.0316 -0.0021 -0.0070 1466 ILE 94 HG23 -0.0309 0.0019 -0.0121 1467 ILE 94 HD11 -0.0175 0.0085 -0.0098 1468 ILE 94 HD12 -0.0254 0.0056 -0.0127 1469 ILE 94 HD13 -0.0178 0.0110 -0.0138 1470 TYR 95 N -0.0152 0.0002 0.0074 1471 TYR 95 CA -0.0119 -0.0044 0.0098 1472 TYR 95 C -0.0045 -0.0036 0.0053 1473 TYR 95 O -0.0002 -0.0029 0.0024 1474 TYR 95 CB -0.0109 -0.0110 0.0152 1475 TYR 95 CG -0.0063 -0.0160 0.0173 1476 TYR 95 CD1 -0.0095 -0.0183 0.0210 1477 TYR 95 CD2 0.0013 -0.0187 0.0157 1478 TYR 95 CE1 -0.0054 -0.0229 0.0230 1479 TYR 95 CE2 0.0056 -0.0233 0.0176 1480 TYR 95 CZ 0.0021 -0.0254 0.0213 1481 TYR 95 OH 0.0063 -0.0300 0.0233 1482 TYR 95 H -0.0135 -0.0009 0.0075 1483 TYR 95 HA -0.0156 -0.0034 0.0109 1484 TYR 95 HB3 -0.0084 -0.0116 0.0144 1485 TYR 95 HB2 -0.0163 -0.0117 0.0186 1486 TYR 95 HD1 -0.0155 -0.0163 0.0223 1487 TYR 95 HD2 0.0041 -0.0171 0.0129 1488 TYR 95 HE1 -0.0081 -0.0245 0.0258 1489 TYR 95 HE2 0.0115 -0.0252 0.0163 1490 TYR 95 HH 0.0114 -0.0313 0.0217 1491 GLY 96 N -0.0029 -0.0039 0.0047 1492 GLY 96 CA 0.0041 -0.0033 0.0006 1493 GLY 96 C 0.0066 -0.0058 0.0015 1494 GLY 96 O 0.0020 -0.0057 0.0038 1495 GLY 96 H -0.0066 -0.0045 0.0072 1496 GLY 96 HA3 0.0039 0.0016 -0.0037 1497 GLY 96 HA2 0.0084 -0.0056 0.0004 1498 LYS 97 N -0.0013 0.0025 0.0095 1499 LYS 97 CA 0.0019 0.0037 0.0086 1500 LYS 97 C 0.0028 0.0069 0.0041 1501 LYS 97 O 0.0049 0.0081 0.0029 1502 LYS 97 CB 0.0067 0.0027 0.0114 1503 LYS 97 CG 0.0099 0.0035 0.0112 1504 LYS 97 CD 0.0143 0.0021 0.0145 1505 LYS 97 CE 0.0137 -0.0004 0.0182 1506 LYS 97 NZ 0.0093 -0.0027 0.0203 1507 LYS 97 H 0.0002 0.0020 0.0106 1508 LYS 97 HA 0.0001 0.0031 0.0090 1509 LYS 97 HB3 0.0087 0.0036 0.0107 1510 LYS 97 HB2 0.0058 0.0005 0.0146 1511 LYS 97 HG3 0.0078 0.0027 0.0117 1512 LYS 97 HG2 0.0112 0.0057 0.0082 1513 LYS 97 HD3 0.0175 0.0037 0.0131 1514 LYS 97 HD2 0.0147 0.0015 0.0156 1515 LYS 97 HE3 0.0134 0.0002 0.0171 1516 LYS 97 HE2 0.0169 -0.0012 0.0203 1517 LYS 97 HZ1 0.0063 -0.0022 0.0187 1518 LYS 97 HZ2 0.0090 -0.0028 0.0205 1519 LYS 97 HZ3 0.0097 -0.0045 0.0231 1520 ILE 98 N 0.0012 0.0082 0.0016 1521 ILE 98 CA 0.0014 0.0112 -0.0028 1522 ILE 98 C 0.0056 0.0129 -0.0042 1523 ILE 98 O 0.0052 0.0128 -0.0042 1524 ILE 98 CB -0.0033 0.0119 -0.0053 1525 ILE 98 CG1 -0.0077 0.0101 -0.0037 1526 ILE 98 CG2 -0.0031 0.0150 -0.0099 1527 ILE 98 CD1 -0.0077 0.0105 -0.0043 1528 ILE 98 H -0.0003 0.0072 0.0028 1529 ILE 98 HA 0.0021 0.0119 -0.0037 1530 ILE 98 HB -0.0038 0.0115 -0.0047 1531 ILE 98 HG13 -0.0110 0.0104 -0.0052 1532 ILE 98 HG12 -0.0078 0.0079 -0.0005 1533 ILE 98 HG21 -0.0065 0.0155 -0.0115 1534 ILE 98 HG22 -0.0001 0.0162 -0.0108 1535 ILE 98 HG23 -0.0025 0.0155 -0.0105 1536 ILE 98 HD11 -0.0109 0.0091 -0.0032 1537 ILE 98 HD12 -0.0077 0.0126 -0.0076 1538 ILE 98 HD13 -0.0044 0.0100 -0.0027 1539 PRO 99 N -0.0042 0.0138 -0.0159 1540 PRO 99 CA -0.0060 0.0078 -0.0154 1541 PRO 99 C -0.0066 0.0065 -0.0098 1542 PRO 99 O -0.0056 0.0103 -0.0073 1543 PRO 99 CB -0.0061 0.0069 -0.0209 1544 PRO 99 CG -0.0046 0.0117 -0.0250 1545 PRO 99 CD -0.0032 0.0166 -0.0211 1546 PRO 99 HA -0.0068 0.0050 -0.0157 1547 PRO 99 HB3 -0.0072 0.0028 -0.0230 1548 PRO 99 HB2 -0.0061 0.0072 -0.0195 1549 PRO 99 HG3 -0.0048 0.0104 -0.0278 1550 PRO 99 HG2 -0.0041 0.0128 -0.0276 1551 PRO 99 HD2 -0.0026 0.0188 -0.0196 1552 PRO 99 HD3 -0.0024 0.0192 -0.0233 1553 GLY 100 N -0.0082 0.0012 -0.0079 1554 GLY 100 CA -0.0090 -0.0008 -0.0031 1555 GLY 100 C -0.0084 0.0018 0.0029 1556 GLY 100 O -0.0082 0.0030 0.0064 1557 GLY 100 H -0.0090 -0.0016 -0.0098 1558 GLY 100 HA3 -0.0087 -0.0000 -0.0041 1559 GLY 100 HA2 -0.0104 -0.0055 -0.0028 1560 MET 101 N -0.0037 0.0029 0.0021 1561 MET 101 CA -0.0015 0.0036 0.0035 1562 MET 101 C 0.0001 0.0030 0.0045 1563 MET 101 O 0.0020 0.0023 0.0057 1564 MET 101 CB -0.0013 0.0064 0.0034 1565 MET 101 CG -0.0024 0.0069 0.0027 1566 MET 101 SD -0.0009 0.0056 0.0037 1567 MET 101 CE 0.0015 0.0077 0.0050 1568 MET 101 H -0.0045 0.0040 0.0016 1569 MET 101 HA -0.0011 0.0024 0.0038 1570 MET 101 HB3 0.0004 0.0070 0.0044 1571 MET 101 HB2 -0.0020 0.0075 0.0028 1572 MET 101 HG3 -0.0025 0.0090 0.0024 1573 MET 101 HG2 -0.0040 0.0061 0.0017 1574 MET 101 HE1 0.0026 0.0072 0.0057 1575 MET 101 HE2 0.0010 0.0097 0.0046 1576 MET 101 HE3 0.0023 0.0075 0.0055 1577 VAL 102 N -0.0005 0.0032 0.0041 1578 VAL 102 CA 0.0009 0.0029 0.0050 1579 VAL 102 C 0.0001 0.0006 0.0047 1580 VAL 102 O -0.0019 0.0003 0.0035 1581 VAL 102 CB 0.0010 0.0053 0.0049 1582 VAL 102 CG1 0.0024 0.0048 0.0058 1583 VAL 102 CG2 0.0019 0.0076 0.0053 1584 VAL 102 H -0.0021 0.0037 0.0031 1585 VAL 102 HA 0.0025 0.0025 0.0060 1586 VAL 102 HB -0.0006 0.0057 0.0038 1587 VAL 102 HG11 0.0024 0.0065 0.0057 1588 VAL 102 HG12 0.0016 0.0032 0.0054 1589 VAL 102 HG13 0.0040 0.0044 0.0068 1590 VAL 102 HG21 0.0020 0.0092 0.0052 1591 VAL 102 HG22 0.0036 0.0072 0.0063 1592 VAL 102 HG23 0.0009 0.0079 0.0046 1593 VAL 103 N -0.0039 0.0009 0.0066 1594 VAL 103 CA -0.0043 -0.0011 0.0064 1595 VAL 103 C -0.0037 0.0006 0.0066 1596 VAL 103 O -0.0015 0.0016 0.0076 1597 VAL 103 CB -0.0026 -0.0038 0.0071 1598 VAL 103 CG1 -0.0027 -0.0055 0.0071 1599 VAL 103 CG2 -0.0035 -0.0057 0.0067 1600 VAL 103 H -0.0021 0.0009 0.0073 1601 VAL 103 HA -0.0064 -0.0017 0.0055 1602 VAL 103 HB -0.0005 -0.0032 0.0080 1603 VAL 103 HG11 -0.0014 -0.0075 0.0076 1604 VAL 103 HG12 -0.0020 -0.0041 0.0074 1605 VAL 103 HG13 -0.0048 -0.0062 0.0062 1606 VAL 103 HG21 -0.0022 -0.0077 0.0072 1607 VAL 103 HG22 -0.0056 -0.0064 0.0059 1608 VAL 103 HG23 -0.0033 -0.0045 0.0068 1609 ASP 104 N -0.0058 0.0008 0.0058 1610 ASP 104 CA -0.0054 0.0023 0.0059 1611 ASP 104 C -0.0047 0.0001 0.0063 1612 ASP 104 O -0.0032 0.0009 0.0069 1613 ASP 104 CB -0.0080 0.0038 0.0049 1614 ASP 104 CG -0.0089 0.0061 0.0045 1615 ASP 104 OD1 -0.0072 0.0074 0.0052 1616 ASP 104 OD2 -0.0114 0.0065 0.0035 1617 ASP 104 H -0.0076 -0.0001 0.0050 1618 ASP 104 HA -0.0038 0.0039 0.0066 1619 ASP 104 HB3 -0.0078 0.0049 0.0050 1620 ASP 104 HB2 -0.0096 0.0022 0.0042 1621 ARG 105 N -0.0059 -0.0064 0.0033 1622 ARG 105 CA -0.0050 -0.0077 0.0031 1623 ARG 105 C -0.0049 -0.0072 0.0020 1624 ARG 105 O -0.0052 -0.0061 0.0008 1625 ARG 105 CB -0.0039 -0.0087 0.0023 1626 ARG 105 CG -0.0029 -0.0101 0.0022 1627 ARG 105 CD -0.0019 -0.0111 0.0014 1628 ARG 105 NE -0.0021 -0.0112 0.0022 1629 ARG 105 CZ -0.0017 -0.0114 0.0013 1630 ARG 105 NH1 -0.0010 -0.0116 -0.0003 1631 ARG 105 NH2 -0.0019 -0.0115 0.0021 1632 ARG 105 H -0.0063 -0.0055 0.0024 1633 ARG 105 HA -0.0050 -0.0082 0.0043 1634 ARG 105 HB3 -0.0039 -0.0082 0.0010 1635 ARG 105 HB2 -0.0040 -0.0089 0.0030 1636 ARG 105 HG3 -0.0029 -0.0107 0.0035 1637 ARG 105 HG2 -0.0028 -0.0099 0.0015 1638 ARG 105 HD3 -0.0012 -0.0122 0.0016 1639 ARG 105 HD2 -0.0017 -0.0107 0.0001 1640 ARG 105 HE -0.0026 -0.0111 0.0034 1641 ARG 105 HH12 -0.0007 -0.0117 -0.0009 1642 ARG 105 HH11 -0.0008 -0.0115 -0.0009 1643 ARG 105 HH22 -0.0015 -0.0117 0.0015 1644 ARG 105 HH21 -0.0024 -0.0114 0.0033 1645 CYS 106 N -0.0046 -0.0079 0.0024 1646 CYS 106 CA -0.0045 -0.0075 0.0015 1647 CYS 106 C -0.0034 -0.0088 0.0008 1648 CYS 106 O -0.0027 -0.0100 0.0015 1649 CYS 106 CB -0.0052 -0.0071 0.0027 1650 CYS 106 SG -0.0067 -0.0055 0.0035 1651 CYS 106 H -0.0044 -0.0087 0.0034 1652 CYS 106 HA -0.0048 -0.0066 0.0005 1653 CYS 106 HB3 -0.0051 -0.0070 0.0020 1654 CYS 106 HB2 -0.0050 -0.0080 0.0038 1655 GLY 107 N 0.0007 -0.0022 -0.0015 1656 GLY 107 CA 0.0013 -0.0014 -0.0014 1657 GLY 107 C 0.0015 0.0007 -0.0013 1658 GLY 107 O 0.0013 0.0015 -0.0013 1659 GLY 107 H 0.0009 -0.0015 -0.0014 1660 GLY 107 HA3 0.0027 -0.0020 -0.0013 1661 GLY 107 HA2 0.0003 -0.0018 -0.0015 1662 CYS 108 N 0.0018 0.0017 -0.0012 1663 CYS 108 CA 0.0019 0.0037 -0.0011 1664 CYS 108 C 0.0040 0.0044 -0.0009 1665 CYS 108 O 0.0051 0.0039 -0.0008 1666 CYS 108 CB 0.0009 0.0045 -0.0012 1667 CYS 108 SG -0.0016 0.0041 -0.0014 1668 CYS 108 H 0.0019 0.0009 -0.0012 1669 CYS 108 HA 0.0012 0.0043 -0.0011 1670 CYS 108 HB3 0.0012 0.0060 -0.0011 1671 CYS 108 HB2 0.0015 0.0039 -0.0011 1672 SER 109 N 0.0094 0.0075 -0.0005 1673 SER 109 CA 0.0109 0.0080 0.0001 1674 SER 109 C 0.0110 0.0095 0.0017 1675 SER 109 O 0.0109 0.0101 0.0023 1676 SER 109 CB 0.0129 0.0073 -0.0004 1677 SER 109 OG 0.0128 0.0058 -0.0019 1678 SER 109 OXT 0.0112 0.0102 0.0024 1679 SER 109 H 0.0094 0.0077 -0.0003 1680 SER 109 HA 0.0107 0.0077 -0.0002 1681 SER 109 HB3 0.0140 0.0075 0.0000 1682 SER 109 HB2 0.0132 0.0076 -0.0000 1683 SER 109 HG 0.0118 0.0056 -0.0022 1684 ASN 1 N -0.0120 0.0064 0.0016 1685 ASN 1 CA -0.0091 0.0067 0.0009 1686 ASN 1 C -0.0073 0.0069 0.0005 1687 ASN 1 O -0.0050 0.0068 0.0018 1688 ASN 1 CB -0.0091 0.0072 -0.0017 1689 ASN 1 CG -0.0061 0.0076 -0.0026 1690 ASN 1 OD1 -0.0051 0.0074 -0.0015 1691 ASN 1 ND2 -0.0046 0.0080 -0.0042 1692 ASN 1 H1 -0.0132 0.0062 0.0019 1693 ASN 1 H2 -0.0121 0.0060 0.0034 1694 ASN 1 HA -0.0081 0.0064 0.0027 1695 ASN 1 HB3 -0.0101 0.0075 -0.0035 1696 ASN 1 HB2 -0.0104 0.0070 -0.0014 1697 ASN 1 HD22 -0.0026 0.0082 -0.0048 1698 ASN 1 HD21 -0.0054 0.0081 -0.0050 1699 LEU 2 N -0.0083 0.0072 -0.0014 1700 LEU 2 CA -0.0070 0.0074 -0.0019 1701 LEU 2 C -0.0082 0.0069 0.0002 1702 LEU 2 O -0.0073 0.0069 0.0003 1703 LEU 2 CB -0.0076 0.0079 -0.0049 1704 LEU 2 CG -0.0056 0.0084 -0.0071 1705 LEU 2 CD1 -0.0069 0.0089 -0.0101 1706 LEU 2 CD2 -0.0026 0.0086 -0.0070 1707 LEU 2 H -0.0101 0.0073 -0.0026 1708 LEU 2 HA -0.0047 0.0075 -0.0015 1709 LEU 2 HB3 -0.0073 0.0079 -0.0050 1710 LEU 2 HB2 -0.0098 0.0079 -0.0055 1711 LEU 2 HG -0.0053 0.0084 -0.0065 1712 LEU 2 HD11 -0.0054 0.0093 -0.0116 1713 LEU 2 HD12 -0.0090 0.0088 -0.0101 1714 LEU 2 HD13 -0.0072 0.0090 -0.0106 1715 LEU 2 HD21 -0.0012 0.0090 -0.0085 1716 LEU 2 HD22 -0.0029 0.0087 -0.0075 1717 LEU 2 HD23 -0.0017 0.0083 -0.0049 1718 GLY 3 N -0.0048 0.0095 -0.0005 1719 GLY 3 CA -0.0034 0.0076 -0.0003 1720 GLY 3 C -0.0038 0.0070 -0.0029 1721 GLY 3 O -0.0050 0.0074 -0.0050 1722 GLY 3 H -0.0053 0.0093 -0.0021 1723 GLY 3 HA3 -0.0021 0.0061 0.0000 1724 GLY 3 HA2 -0.0032 0.0082 0.0014 1725 LEU 4 N -0.0029 0.0058 -0.0026 1726 LEU 4 CA -0.0032 0.0051 -0.0049 1727 LEU 4 C -0.0016 0.0024 -0.0060 1728 LEU 4 O -0.0001 0.0011 -0.0044 1729 LEU 4 CB -0.0034 0.0058 -0.0040 1730 LEU 4 CG -0.0040 0.0055 -0.0062 1731 LEU 4 CD1 -0.0059 0.0070 -0.0083 1732 LEU 4 CD2 -0.0041 0.0062 -0.0049 1733 LEU 4 H -0.0019 0.0054 -0.0008 1734 LEU 4 HA -0.0044 0.0059 -0.0065 1735 LEU 4 HB3 -0.0021 0.0049 -0.0024 1736 LEU 4 HB2 -0.0043 0.0076 -0.0029 1737 LEU 4 HG -0.0031 0.0037 -0.0073 1738 LEU 4 HD11 -0.0063 0.0068 -0.0098 1739 LEU 4 HD12 -0.0058 0.0064 -0.0092 1740 LEU 4 HD13 -0.0068 0.0088 -0.0073 1741 LEU 4 HD21 -0.0045 0.0061 -0.0065 1742 LEU 4 HD22 -0.0050 0.0081 -0.0038 1743 LEU 4 HD23 -0.0027 0.0051 -0.0035 1744 ASP 5 N -0.0081 -0.0003 -0.0014 1745 ASP 5 CA -0.0082 -0.0020 -0.0018 1746 ASP 5 C -0.0076 -0.0052 -0.0025 1747 ASP 5 O -0.0088 -0.0065 -0.0029 1748 ASP 5 CB -0.0112 -0.0015 -0.0021 1749 ASP 5 CG -0.0115 0.0014 -0.0014 1750 ASP 5 OD1 -0.0092 0.0029 -0.0008 1751 ASP 5 OD2 -0.0140 0.0023 -0.0015 1752 ASP 5 H -0.0098 -0.0005 -0.0017 1753 ASP 5 HA -0.0064 -0.0012 -0.0014 1754 ASP 5 HB3 -0.0115 -0.0033 -0.0025 1755 ASP 5 HB2 -0.0130 -0.0018 -0.0023 1756 CYS 6 N -0.0058 -0.0066 -0.0026 1757 CYS 6 CA -0.0052 -0.0098 -0.0033 1758 CYS 6 C -0.0055 -0.0113 -0.0037 1759 CYS 6 O -0.0054 -0.0099 -0.0033 1760 CYS 6 CB -0.0021 -0.0104 -0.0031 1761 CYS 6 SG -0.0012 -0.0088 -0.0026 1762 CYS 6 H -0.0048 -0.0055 -0.0023 1763 CYS 6 HA -0.0068 -0.0107 -0.0037 1764 CYS 6 HB3 -0.0017 -0.0128 -0.0036 1765 CYS 6 HB2 -0.0004 -0.0097 -0.0028 1766 ASP 7 N -0.0046 -0.0134 0.0184 1767 ASP 7 CA 0.0000 -0.0075 0.0169 1768 ASP 7 C -0.0023 -0.0038 0.0101 1769 ASP 7 O -0.0073 -0.0060 0.0067 1770 ASP 7 CB 0.0042 -0.0059 0.0200 1771 ASP 7 CG 0.0016 -0.0071 0.0183 1772 ASP 7 OD1 -0.0036 -0.0096 0.0152 1773 ASP 7 OD2 0.0047 -0.0055 0.0202 1774 ASP 7 H -0.0073 -0.0146 0.0165 1775 ASP 7 HA 0.0022 -0.0067 0.0186 1776 ASP 7 HB3 0.0061 -0.0082 0.0249 1777 ASP 7 HB2 0.0076 -0.0014 0.0189 1778 GLU 8 N 0.0015 0.0017 0.0082 1779 GLU 8 CA -0.0002 0.0056 0.0018 1780 GLU 8 C -0.0039 0.0044 -0.0012 1781 GLU 8 O -0.0074 0.0054 -0.0065 1782 GLU 8 CB 0.0050 0.0117 0.0008 1783 GLU 8 CG 0.0095 0.0127 0.0050 1784 GLU 8 CD 0.0146 0.0187 0.0040 1785 GLU 8 OE1 0.0144 0.0223 -0.0002 1786 GLU 8 OE2 0.0187 0.0200 0.0073 1787 GLU 8 H 0.0056 0.0033 0.0111 1788 GLU 8 HA -0.0025 0.0051 -0.0004 1789 GLU 8 HB3 0.0068 0.0131 0.0013 1790 GLU 8 HB2 0.0037 0.0145 -0.0038 1791 GLU 8 HG3 0.0078 0.0115 0.0043 1792 GLU 8 HG2 0.0108 0.0099 0.0096 1793 HIS 9 N -0.0099 -0.0071 0.0046 1794 HIS 9 CA -0.0073 0.0043 0.0050 1795 HIS 9 C -0.0065 0.0121 0.0078 1796 HIS 9 O -0.0030 0.0211 0.0041 1797 HIS 9 CB -0.0027 0.0069 -0.0056 1798 HIS 9 CG -0.0030 -0.0010 -0.0098 1799 HIS 9 ND1 -0.0007 -0.0065 -0.0197 1800 HIS 9 CD2 -0.0054 -0.0042 -0.0054 1801 HIS 9 CE1 -0.0016 -0.0128 -0.0212 1802 HIS 9 NE2 -0.0045 -0.0116 -0.0127 1803 HIS 9 H -0.0082 -0.0108 -0.0025 1804 HIS 9 HA -0.0093 0.0056 0.0110 1805 HIS 9 HB3 -0.0010 0.0152 -0.0049 1806 HIS 9 HB2 -0.0005 0.0071 -0.0114 1807 HIS 9 HD1 0.0014 -0.0053 -0.0244 1808 HIS 9 HD2 -0.0076 -0.0008 0.0024 1809 HIS 9 HE1 -0.0000 -0.0178 -0.0285 1810 SER 10 N -0.0098 0.0088 0.0144 1811 SER 10 CA -0.0096 0.0158 0.0181 1812 SER 10 C -0.0135 0.0180 0.0301 1813 SER 10 O -0.0174 0.0108 0.0357 1814 SER 10 CB -0.0097 0.0105 0.0151 1815 SER 10 OG -0.0060 0.0083 0.0040 1816 SER 10 H -0.0126 0.0012 0.0169 1817 SER 10 HA -0.0064 0.0236 0.0146 1818 SER 10 HB3 -0.0095 0.0160 0.0180 1819 SER 10 HB2 -0.0129 0.0029 0.0189 1820 SER 10 HG -0.0031 0.0150 0.0006 1821 SER 11 N -0.0037 -0.0055 0.0061 1822 SER 11 CA -0.0001 -0.0066 0.0045 1823 SER 11 C 0.0033 -0.0054 -0.0004 1824 SER 11 O 0.0076 -0.0071 -0.0018 1825 SER 11 CB 0.0028 -0.0108 0.0081 1826 SER 11 OG 0.0048 -0.0127 0.0092 1827 SER 11 H -0.0026 -0.0068 0.0069 1828 SER 11 HA -0.0020 -0.0053 0.0042 1829 SER 11 HB3 0.0003 -0.0115 0.0114 1830 SER 11 HB2 0.0057 -0.0116 0.0067 1831 SER 11 HG 0.0069 -0.0121 0.0063 1832 GLU 12 N 0.0012 -0.0024 -0.0030 1833 GLU 12 CA 0.0039 -0.0009 -0.0077 1834 GLU 12 C 0.0049 0.0011 -0.0117 1835 GLU 12 O 0.0015 0.0039 -0.0128 1836 GLU 12 CB 0.0010 0.0016 -0.0089 1837 GLU 12 CG 0.0034 0.0034 -0.0138 1838 GLU 12 CD 0.0084 0.0006 -0.0141 1839 GLU 12 OE1 0.0088 -0.0013 -0.0117 1840 GLU 12 OE2 0.0121 0.0001 -0.0167 1841 GLU 12 H -0.0024 -0.0011 -0.0018 1842 GLU 12 HA 0.0074 -0.0032 -0.0075 1843 GLU 12 HB3 -0.0027 0.0038 -0.0087 1844 GLU 12 HB2 0.0006 0.0001 -0.0062 1845 GLU 12 HG3 0.0037 0.0051 -0.0165 1846 GLU 12 HG2 0.0011 0.0053 -0.0145 1847 SER 13 N 0.0125 0.0095 -0.0187 1848 SER 13 CA 0.0130 0.0085 -0.0151 1849 SER 13 C 0.0129 0.0082 -0.0121 1850 SER 13 O 0.0139 0.0066 -0.0093 1851 SER 13 CB 0.0111 0.0105 -0.0139 1852 SER 13 OG 0.0088 0.0130 -0.0129 1853 SER 13 H 0.0108 0.0116 -0.0194 1854 SER 13 HA 0.0147 0.0065 -0.0154 1855 SER 13 HB3 0.0109 0.0110 -0.0162 1856 SER 13 HB2 0.0116 0.0095 -0.0117 1857 SER 13 HG 0.0089 0.0125 -0.0108 1858 ARG 14 N 0.0117 0.0096 -0.0126 1859 ARG 14 CA 0.0114 0.0095 -0.0098 1860 ARG 14 C 0.0138 0.0068 -0.0096 1861 ARG 14 O 0.0154 0.0053 -0.0122 1862 ARG 14 CB 0.0094 0.0119 -0.0104 1863 ARG 14 CG 0.0070 0.0148 -0.0108 1864 ARG 14 CD 0.0049 0.0168 -0.0085 1865 ARG 14 NE 0.0026 0.0196 -0.0092 1866 ARG 14 CZ 0.0015 0.0206 -0.0079 1867 ARG 14 NH1 0.0027 0.0190 -0.0058 1868 ARG 14 NH2 -0.0007 0.0232 -0.0088 1869 ARG 14 H 0.0109 0.0108 -0.0150 1870 ARG 14 HA 0.0110 0.0097 -0.0071 1871 ARG 14 HB3 0.0092 0.0118 -0.0082 1872 ARG 14 HB2 0.0100 0.0116 -0.0128 1873 ARG 14 HG3 0.0066 0.0156 -0.0137 1874 ARG 14 HG2 0.0070 0.0147 -0.0101 1875 ARG 14 HD3 0.0052 0.0161 -0.0056 1876 ARG 14 HD2 0.0051 0.0167 -0.0089 1877 ARG 14 HE 0.0017 0.0208 -0.0109 1878 ARG 14 HH12 0.0019 0.0197 -0.0048 1879 ARG 14 HH11 0.0043 0.0170 -0.0051 1880 ARG 14 HH22 -0.0015 0.0240 -0.0078 1881 ARG 14 HH21 -0.0016 0.0245 -0.0104 1882 CYS 15 N 0.0093 0.0015 -0.0056 1883 CYS 15 CA 0.0095 0.0018 -0.0053 1884 CYS 15 C 0.0082 0.0018 -0.0059 1885 CYS 15 O 0.0071 0.0024 -0.0060 1886 CYS 15 CB 0.0098 0.0030 -0.0043 1887 CYS 15 SG 0.0100 0.0035 -0.0039 1888 CYS 15 H 0.0095 0.0020 -0.0051 1889 CYS 15 HA 0.0103 0.0011 -0.0054 1890 CYS 15 HB3 0.0090 0.0037 -0.0042 1891 CYS 15 HB2 0.0107 0.0030 -0.0039 1892 CYS 16 N 0.0084 0.0010 -0.0063 1893 CYS 16 CA 0.0073 0.0008 -0.0070 1894 CYS 16 C 0.0077 0.0005 -0.0070 1895 CYS 16 O 0.0088 0.0002 -0.0067 1896 CYS 16 CB 0.0069 -0.0003 -0.0079 1897 CYS 16 SG 0.0053 -0.0006 -0.0088 1898 CYS 16 H 0.0094 0.0007 -0.0061 1899 CYS 16 HA 0.0065 0.0016 -0.0068 1900 CYS 16 HB3 0.0077 -0.0012 -0.0081 1901 CYS 16 HB2 0.0070 -0.0002 -0.0078 1902 ARG 17 N -0.0014 -0.0050 0.0010 1903 ARG 17 CA -0.0010 -0.0036 0.0018 1904 ARG 17 C -0.0013 -0.0044 0.0014 1905 ARG 17 O -0.0026 -0.0055 0.0017 1906 ARG 17 CB -0.0021 -0.0025 0.0035 1907 ARG 17 CG -0.0016 -0.0009 0.0043 1908 ARG 17 CD -0.0027 0.0002 0.0061 1909 ARG 17 NE -0.0044 -0.0008 0.0069 1910 ARG 17 CZ -0.0054 -0.0001 0.0083 1911 ARG 17 NH1 -0.0048 0.0016 0.0091 1912 ARG 17 NH2 -0.0070 -0.0012 0.0090 1913 ARG 17 H -0.0026 -0.0058 0.0016 1914 ARG 17 HA 0.0003 -0.0027 0.0013 1915 ARG 17 HB3 -0.0034 -0.0034 0.0041 1916 ARG 17 HB2 -0.0021 -0.0021 0.0038 1917 ARG 17 HG3 -0.0003 0.0000 0.0038 1918 ARG 17 HG2 -0.0016 -0.0013 0.0040 1919 ARG 17 HD3 -0.0026 0.0007 0.0063 1920 ARG 17 HD2 -0.0022 0.0014 0.0065 1921 ARG 17 HE -0.0048 -0.0022 0.0063 1922 ARG 17 HH12 -0.0056 0.0022 0.0102 1923 ARG 17 HH11 -0.0036 0.0024 0.0086 1924 ARG 17 HH22 -0.0077 -0.0006 0.0100 1925 ARG 17 HH21 -0.0074 -0.0025 0.0084 1926 TYR 18 N 0.0001 -0.0036 0.0007 1927 TYR 18 CA 0.0001 -0.0042 0.0003 1928 TYR 18 C 0.0001 -0.0027 0.0014 1929 TYR 18 O 0.0007 -0.0011 0.0020 1930 TYR 18 CB 0.0016 -0.0047 -0.0014 1931 TYR 18 CG 0.0015 -0.0064 -0.0026 1932 TYR 18 CD1 0.0019 -0.0064 -0.0030 1933 TYR 18 CD2 0.0009 -0.0081 -0.0033 1934 TYR 18 CE1 0.0018 -0.0079 -0.0041 1935 TYR 18 CE2 0.0008 -0.0096 -0.0044 1936 TYR 18 CZ 0.0013 -0.0095 -0.0048 1937 TYR 18 OH 0.0012 -0.0111 -0.0058 1938 TYR 18 H 0.0011 -0.0027 0.0005 1939 TYR 18 HA -0.0011 -0.0054 0.0004 1940 TYR 18 HB3 0.0017 -0.0048 -0.0016 1941 TYR 18 HB2 0.0027 -0.0036 -0.0016 1942 TYR 18 HD1 0.0024 -0.0051 -0.0025 1943 TYR 18 HD2 0.0005 -0.0081 -0.0030 1944 TYR 18 HE1 0.0022 -0.0079 -0.0044 1945 TYR 18 HE2 0.0003 -0.0109 -0.0049 1946 TYR 18 HH 0.0015 -0.0108 -0.0059 1947 PRO 19 N -0.0034 -0.0086 0.0043 1948 PRO 19 CA -0.0024 -0.0068 0.0057 1949 PRO 19 C -0.0008 -0.0050 0.0045 1950 PRO 19 O -0.0004 -0.0052 0.0024 1951 PRO 19 CB -0.0028 -0.0072 0.0062 1952 PRO 19 CG -0.0033 -0.0085 0.0041 1953 PRO 19 CD -0.0040 -0.0098 0.0034 1954 PRO 19 HA -0.0027 -0.0066 0.0074 1955 PRO 19 HB3 -0.0037 -0.0079 0.0078 1956 PRO 19 HB2 -0.0019 -0.0058 0.0063 1957 PRO 19 HG3 -0.0041 -0.0094 0.0046 1958 PRO 19 HG2 -0.0024 -0.0077 0.0028 1959 PRO 19 HD2 -0.0038 -0.0101 0.0015 1960 PRO 19 HD3 -0.0052 -0.0111 0.0043 1961 LEU 20 N 0.0000 -0.0034 0.0058 1962 LEU 20 CA 0.0016 -0.0015 0.0049 1963 LEU 20 C 0.0023 0.0002 0.0068 1964 LEU 20 O 0.0022 0.0005 0.0083 1965 LEU 20 CB 0.0021 -0.0013 0.0035 1966 LEU 20 CG 0.0037 0.0007 0.0027 1967 LEU 20 CD1 0.0043 0.0009 0.0009 1968 LEU 20 CD2 0.0041 0.0010 0.0019 1969 LEU 20 H -0.0004 -0.0034 0.0075 1970 LEU 20 HA 0.0019 -0.0015 0.0036 1971 LEU 20 HB3 0.0016 -0.0016 0.0047 1972 LEU 20 HB2 0.0016 -0.0024 0.0020 1973 LEU 20 HG 0.0041 0.0018 0.0042 1974 LEU 20 HD11 0.0055 0.0024 0.0003 1975 LEU 20 HD12 0.0041 0.0008 0.0016 1976 LEU 20 HD13 0.0039 -0.0002 -0.0006 1977 LEU 20 HD21 0.0053 0.0024 0.0013 1978 LEU 20 HD22 0.0036 -0.0002 0.0004 1979 LEU 20 HD23 0.0037 0.0008 0.0033 1980 THR 21 N 0.0105 0.0083 0.0021 1981 THR 21 CA 0.0124 0.0069 0.0020 1982 THR 21 C 0.0095 0.0060 0.0018 1983 THR 21 O 0.0070 0.0083 0.0020 1984 THR 21 CB 0.0152 0.0098 0.0024 1985 THR 21 OG1 0.0180 0.0106 0.0026 1986 THR 21 CG2 0.0171 0.0084 0.0023 1987 THR 21 H 0.0099 0.0111 0.0024 1988 THR 21 HA 0.0139 0.0044 0.0017 1989 THR 21 HB 0.0137 0.0124 0.0027 1990 THR 21 HG1 0.0169 0.0115 0.0027 1991 THR 21 HG21 0.0191 0.0104 0.0026 1992 THR 21 HG22 0.0150 0.0078 0.0022 1993 THR 21 HG23 0.0186 0.0058 0.0020 1994 VAL 22 N 0.0097 0.0027 0.0014 1995 VAL 22 CA 0.0073 0.0016 0.0012 1996 VAL 22 C 0.0095 0.0018 0.0013 1997 VAL 22 O 0.0125 0.0000 0.0011 1998 VAL 22 CB 0.0058 -0.0024 0.0006 1999 VAL 22 CG1 0.0040 -0.0039 0.0004 2000 VAL 22 CG2 0.0029 -0.0025 0.0005 2001 VAL 22 H 0.0116 0.0008 0.0012 2002 VAL 22 HA 0.0049 0.0035 0.0013 2003 VAL 22 HB 0.0081 -0.0043 0.0005 2004 VAL 22 HG11 0.0029 -0.0067 0.0000 2005 VAL 22 HG12 0.0062 -0.0039 0.0005 2006 VAL 22 HG13 0.0017 -0.0020 0.0005 2007 VAL 22 HG21 0.0018 -0.0054 0.0001 2008 VAL 22 HG22 0.0005 -0.0006 0.0007 2009 VAL 22 HG23 0.0042 -0.0016 0.0007 2010 ASP 23 N 0.0099 -0.0038 -0.0025 2011 ASP 23 CA 0.0111 -0.0039 -0.0027 2012 ASP 23 C 0.0097 -0.0055 -0.0026 2013 ASP 23 O 0.0079 -0.0050 -0.0023 2014 ASP 23 CB 0.0113 -0.0016 -0.0026 2015 ASP 23 CG 0.0126 -0.0017 -0.0028 2016 ASP 23 OD1 0.0145 -0.0008 -0.0030 2017 ASP 23 OD2 0.0117 -0.0027 -0.0027 2018 ASP 23 H 0.0085 -0.0029 -0.0022 2019 ASP 23 HA 0.0127 -0.0046 -0.0030 2020 ASP 23 HB3 0.0097 -0.0009 -0.0022 2021 ASP 23 HB2 0.0122 -0.0005 -0.0026 2022 PHE 24 N 0.0107 -0.0075 -0.0029 2023 PHE 24 CA 0.0095 -0.0093 -0.0029 2024 PHE 24 C 0.0091 -0.0086 -0.0028 2025 PHE 24 O 0.0075 -0.0093 -0.0026 2026 PHE 24 CB 0.0108 -0.0115 -0.0033 2027 PHE 24 CG 0.0108 -0.0125 -0.0034 2028 PHE 24 CD1 0.0088 -0.0130 -0.0031 2029 PHE 24 CD2 0.0129 -0.0129 -0.0037 2030 PHE 24 CE1 0.0089 -0.0139 -0.0032 2031 PHE 24 CE2 0.0129 -0.0139 -0.0038 2032 PHE 24 CZ 0.0109 -0.0144 -0.0035 2033 PHE 24 H 0.0122 -0.0078 -0.0032 2034 PHE 24 HA 0.0078 -0.0095 -0.0027 2035 PHE 24 HB3 0.0100 -0.0127 -0.0033 2036 PHE 24 HB2 0.0125 -0.0112 -0.0035 2037 PHE 24 HD1 0.0072 -0.0127 -0.0028 2038 PHE 24 HD2 0.0144 -0.0126 -0.0039 2039 PHE 24 HE1 0.0073 -0.0143 -0.0030 2040 PHE 24 HE2 0.0145 -0.0142 -0.0041 2041 PHE 24 HZ 0.0109 -0.0151 -0.0036 2042 GLU 25 N 0.0134 -0.0086 -0.0039 2043 GLU 25 CA 0.0123 -0.0080 -0.0033 2044 GLU 25 C 0.0091 -0.0051 -0.0015 2045 GLU 25 O 0.0063 -0.0057 -0.0008 2046 GLU 25 CB 0.0157 -0.0063 -0.0040 2047 GLU 25 CG 0.0197 -0.0075 -0.0056 2048 GLU 25 CD 0.0230 -0.0056 -0.0061 2049 GLU 25 OE1 0.0231 -0.0066 -0.0064 2050 GLU 25 OE2 0.0254 -0.0031 -0.0062 2051 GLU 25 H 0.0161 -0.0075 -0.0044 2052 GLU 25 HA 0.0111 -0.0108 -0.0037 2053 GLU 25 HB3 0.0152 -0.0072 -0.0041 2054 GLU 25 HB2 0.0158 -0.0031 -0.0031 2055 GLU 25 HG3 0.0201 -0.0067 -0.0055 2056 GLU 25 HG2 0.0197 -0.0107 -0.0065 2057 ALA 26 N 0.0094 -0.0021 -0.0008 2058 ALA 26 CA 0.0066 0.0008 0.0009 2059 ALA 26 C 0.0027 -0.0010 0.0017 2060 ALA 26 O -0.0002 0.0009 0.0031 2061 ALA 26 CB 0.0081 0.0043 0.0014 2062 ALA 26 H 0.0117 -0.0018 -0.0014 2063 ALA 26 HA 0.0060 0.0018 0.0014 2064 ALA 26 HB1 0.0059 0.0064 0.0027 2065 ALA 26 HB2 0.0108 0.0057 0.0009 2066 ALA 26 HB3 0.0087 0.0033 0.0010 2067 PHE 27 N 0.0001 -0.0098 -0.0031 2068 PHE 27 CA -0.0025 -0.0113 -0.0033 2069 PHE 27 C -0.0061 -0.0139 -0.0043 2070 PHE 27 O -0.0092 -0.0151 -0.0039 2071 PHE 27 CB -0.0005 -0.0124 -0.0059 2072 PHE 27 CG 0.0028 -0.0100 -0.0049 2073 PHE 27 CD1 0.0038 -0.0070 -0.0019 2074 PHE 27 CD2 0.0050 -0.0107 -0.0071 2075 PHE 27 CE1 0.0069 -0.0048 -0.0011 2076 PHE 27 CE2 0.0080 -0.0085 -0.0063 2077 PHE 27 CZ 0.0089 -0.0055 -0.0032 2078 PHE 27 H 0.0021 -0.0106 -0.0053 2079 PHE 27 HA -0.0036 -0.0098 -0.0007 2080 PHE 27 HB3 -0.0027 -0.0138 -0.0063 2081 PHE 27 HB2 0.0007 -0.0139 -0.0084 2082 PHE 27 HD1 0.0022 -0.0064 -0.0002 2083 PHE 27 HD2 0.0043 -0.0129 -0.0095 2084 PHE 27 HE1 0.0076 -0.0025 0.0013 2085 PHE 27 HE2 0.0096 -0.0090 -0.0080 2086 PHE 27 HZ 0.0113 -0.0038 -0.0026 2087 GLY 28 N -0.0056 -0.0147 -0.0056 2088 GLY 28 CA -0.0087 -0.0171 -0.0066 2089 GLY 28 C -0.0084 -0.0200 -0.0104 2090 GLY 28 O -0.0109 -0.0223 -0.0116 2091 GLY 28 H -0.0029 -0.0137 -0.0060 2092 GLY 28 HA3 -0.0116 -0.0173 -0.0050 2093 GLY 28 HA2 -0.0086 -0.0165 -0.0059 2094 TRP 29 N -0.0073 -0.0013 -0.0104 2095 TRP 29 CA -0.0073 -0.0011 -0.0127 2096 TRP 29 C -0.0086 0.0005 -0.0094 2097 TRP 29 O -0.0071 -0.0017 -0.0069 2098 TRP 29 CB -0.0044 -0.0051 -0.0143 2099 TRP 29 CG -0.0029 -0.0071 -0.0175 2100 TRP 29 CD1 -0.0038 -0.0056 -0.0193 2101 TRP 29 CD2 -0.0000 -0.0109 -0.0193 2102 TRP 29 NE1 -0.0017 -0.0084 -0.0222 2103 TRP 29 CE2 0.0006 -0.0117 -0.0222 2104 TRP 29 CE3 0.0020 -0.0138 -0.0187 2105 TRP 29 CZ2 0.0032 -0.0152 -0.0245 2106 TRP 29 CZ3 0.0046 -0.0173 -0.0210 2107 TRP 29 CH2 0.0051 -0.0179 -0.0238 2108 TRP 29 H -0.0055 -0.0039 -0.0092 2109 TRP 29 HA -0.0086 0.0008 -0.0159 2110 TRP 29 HB3 -0.0045 -0.0049 -0.0160 2111 TRP 29 HB2 -0.0032 -0.0069 -0.0111 2112 TRP 29 HD1 -0.0059 -0.0027 -0.0185 2113 TRP 29 HE1 -0.0021 -0.0078 -0.0238 2114 TRP 29 HE3 0.0016 -0.0133 -0.0165 2115 TRP 29 HZ2 0.0036 -0.0156 -0.0267 2116 TRP 29 HZ3 0.0062 -0.0196 -0.0206 2117 TRP 29 HH2 0.0072 -0.0207 -0.0256 2118 ASP 30 N -0.0114 0.0044 -0.0093 2119 ASP 30 CA -0.0128 0.0062 -0.0060 2120 ASP 30 C -0.0124 0.0057 -0.0078 2121 ASP 30 O -0.0130 0.0064 -0.0051 2122 ASP 30 CB -0.0159 0.0105 -0.0053 2123 ASP 30 CG -0.0174 0.0129 -0.0099 2124 ASP 30 OD1 -0.0197 0.0161 -0.0097 2125 ASP 30 OD2 -0.0164 0.0117 -0.0136 2126 ASP 30 H -0.0125 0.0061 -0.0116 2127 ASP 30 HA -0.0118 0.0047 -0.0026 2128 ASP 30 HB3 -0.0161 0.0107 -0.0039 2129 ASP 30 HB2 -0.0168 0.0117 -0.0026 2130 TRP 31 N -0.0119 0.0179 -0.0131 2131 TRP 31 CA -0.0109 0.0145 -0.0154 2132 TRP 31 C -0.0060 0.0080 -0.0120 2133 TRP 31 O -0.0045 0.0050 -0.0123 2134 TRP 31 CB -0.0132 0.0129 -0.0238 2135 TRP 31 CG -0.0125 0.0092 -0.0275 2136 TRP 31 CD1 -0.0149 0.0121 -0.0295 2137 TRP 31 CD2 -0.0093 0.0019 -0.0295 2138 TRP 31 NE1 -0.0133 0.0070 -0.0327 2139 TRP 31 CE2 -0.0099 0.0007 -0.0328 2140 TRP 31 CE3 -0.0060 -0.0038 -0.0290 2141 TRP 31 CZ2 -0.0072 -0.0059 -0.0355 2142 TRP 31 CZ3 -0.0034 -0.0103 -0.0316 2143 TRP 31 CH2 -0.0040 -0.0114 -0.0349 2144 TRP 31 H -0.0130 0.0175 -0.0167 2145 TRP 31 HA -0.0121 0.0182 -0.0133 2146 TRP 31 HB3 -0.0166 0.0177 -0.0260 2147 TRP 31 HB2 -0.0121 0.0099 -0.0254 2148 TRP 31 HD1 -0.0175 0.0177 -0.0285 2149 TRP 31 HE1 -0.0147 0.0084 -0.0346 2150 TRP 31 HE3 -0.0055 -0.0030 -0.0265 2151 TRP 31 HZ2 -0.0078 -0.0066 -0.0380 2152 TRP 31 HZ3 -0.0008 -0.0148 -0.0312 2153 TRP 31 HH2 -0.0019 -0.0166 -0.0369 2154 ILE 32 N -0.0035 0.0058 -0.0087 2155 ILE 32 CA 0.0011 0.0004 -0.0042 2156 ILE 32 C 0.0023 0.0038 0.0038 2157 ILE 32 O 0.0011 0.0080 0.0070 2158 ILE 32 CB 0.0035 -0.0045 -0.0048 2159 ILE 32 CG1 0.0032 -0.0091 -0.0124 2160 ILE 32 CG2 0.0083 -0.0089 0.0014 2161 ILE 32 CD1 0.0040 -0.0121 -0.0147 2162 ILE 32 H -0.0049 0.0079 -0.0092 2163 ILE 32 HA 0.0021 -0.0027 -0.0060 2164 ILE 32 HB 0.0020 -0.0013 -0.0043 2165 ILE 32 HG13 0.0001 -0.0062 -0.0165 2166 ILE 32 HG12 0.0056 -0.0134 -0.0123 2167 ILE 32 HG21 0.0100 -0.0123 0.0008 2168 ILE 32 HG22 0.0085 -0.0055 0.0067 2169 ILE 32 HG23 0.0098 -0.0120 0.0009 2170 ILE 32 HD11 0.0037 -0.0153 -0.0201 2171 ILE 32 HD12 0.0015 -0.0078 -0.0150 2172 ILE 32 HD13 0.0072 -0.0151 -0.0107 2173 ILE 33 N 0.0018 0.0040 0.0049 2174 ILE 33 CA 0.0021 0.0052 0.0082 2175 ILE 33 C 0.0042 0.0033 0.0107 2176 ILE 33 O 0.0043 0.0044 0.0133 2177 ILE 33 CB 0.0020 0.0054 0.0084 2178 ILE 33 CG1 -0.0000 0.0074 0.0061 2179 ILE 33 CG2 0.0025 0.0065 0.0119 2180 ILE 33 CD1 -0.0001 0.0071 0.0052 2181 ILE 33 H 0.0023 0.0026 0.0035 2182 ILE 33 HA 0.0009 0.0073 0.0089 2183 ILE 33 HB 0.0032 0.0033 0.0076 2184 ILE 33 HG13 -0.0005 0.0070 0.0038 2185 ILE 33 HG12 -0.0012 0.0096 0.0072 2186 ILE 33 HG21 0.0024 0.0067 0.0120 2187 ILE 33 HG22 0.0040 0.0050 0.0135 2188 ILE 33 HG23 0.0013 0.0087 0.0128 2189 ILE 33 HD11 -0.0016 0.0086 0.0036 2190 ILE 33 HD12 0.0010 0.0049 0.0040 2191 ILE 33 HD13 0.0003 0.0076 0.0075 2192 ALA 34 N 0.0058 0.0005 0.0098 2193 ALA 34 CA 0.0078 -0.0016 0.0119 2194 ALA 34 C 0.0091 -0.0045 0.0098 2195 ALA 34 O 0.0088 -0.0054 0.0074 2196 ALA 34 CB 0.0088 -0.0018 0.0146 2197 ALA 34 H 0.0056 -0.0003 0.0076 2198 ALA 34 HA 0.0077 -0.0008 0.0131 2199 ALA 34 HB1 0.0103 -0.0033 0.0161 2200 ALA 34 HB2 0.0079 0.0003 0.0161 2201 ALA 34 HB3 0.0089 -0.0025 0.0134 2202 PRO 35 N 0.0097 -0.0052 0.0055 2203 PRO 35 CA 0.0092 -0.0068 0.0047 2204 PRO 35 C 0.0111 -0.0064 0.0015 2205 PRO 35 O 0.0126 -0.0056 -0.0005 2206 PRO 35 CB 0.0073 -0.0102 0.0045 2207 PRO 35 CG 0.0077 -0.0105 0.0034 2208 PRO 35 CD 0.0087 -0.0075 0.0049 2209 PRO 35 HA 0.0087 -0.0060 0.0066 2210 PRO 35 HB3 0.0058 -0.0107 0.0069 2211 PRO 35 HB2 0.0073 -0.0117 0.0027 2212 PRO 35 HG3 0.0061 -0.0124 0.0043 2213 PRO 35 HG2 0.0088 -0.0109 0.0008 2214 PRO 35 HD2 0.0099 -0.0068 0.0032 2215 PRO 35 HD3 0.0074 -0.0076 0.0072 2216 LYS 36 N 0.0109 -0.0071 0.0009 2217 LYS 36 CA 0.0126 -0.0069 -0.0021 2218 LYS 36 C 0.0122 -0.0098 -0.0046 2219 LYS 36 O 0.0137 -0.0098 -0.0075 2220 LYS 36 CB 0.0126 -0.0066 -0.0017 2221 LYS 36 CG 0.0130 -0.0037 0.0008 2222 LYS 36 CD 0.0153 -0.0008 -0.0004 2223 LYS 36 CE 0.0157 0.0021 0.0021 2224 LYS 36 NZ 0.0177 0.0050 0.0016 2225 LYS 36 H 0.0097 -0.0078 0.0026 2226 LYS 36 HA 0.0142 -0.0049 -0.0028 2227 LYS 36 HB3 0.0138 -0.0065 -0.0040 2228 LYS 36 HB2 0.0111 -0.0086 -0.0011 2229 LYS 36 HG3 0.0127 -0.0038 0.0012 2230 LYS 36 HG2 0.0119 -0.0036 0.0030 2231 LYS 36 HD3 0.0156 -0.0007 -0.0008 2232 LYS 36 HD2 0.0164 -0.0008 -0.0026 2233 LYS 36 HE3 0.0160 0.0025 0.0020 2234 LYS 36 HE2 0.0143 0.0018 0.0045 2235 LYS 36 HZ1 0.0174 0.0047 0.0017 2236 LYS 36 HZ2 0.0179 0.0068 0.0033 2237 LYS 36 HZ3 0.0190 0.0053 -0.0006 2238 ARG 37 N 0.0200 -0.0014 -0.0001 2239 ARG 37 CA 0.0158 -0.0000 -0.0015 2240 ARG 37 C 0.0130 -0.0008 0.0004 2241 ARG 37 O 0.0145 -0.0019 0.0018 2242 ARG 37 CB 0.0159 0.0024 -0.0056 2243 ARG 37 CG 0.0179 0.0037 -0.0080 2244 ARG 37 CD 0.0171 0.0062 -0.0119 2245 ARG 37 NE 0.0189 0.0068 -0.0132 2246 ARG 37 CZ 0.0228 0.0071 -0.0146 2247 ARG 37 NH1 0.0254 0.0069 -0.0148 2248 ARG 37 NH2 0.0242 0.0076 -0.0157 2249 ARG 37 H 0.0209 -0.0021 0.0010 2250 ARG 37 HA 0.0144 -0.0002 -0.0010 2251 ARG 37 HB3 0.0127 0.0033 -0.0064 2252 ARG 37 HB2 0.0175 0.0026 -0.0061 2253 ARG 37 HG3 0.0213 0.0031 -0.0077 2254 ARG 37 HG2 0.0167 0.0033 -0.0072 2255 ARG 37 HD3 0.0184 0.0071 -0.0136 2256 ARG 37 HD2 0.0137 0.0068 -0.0122 2257 ARG 37 HE 0.0169 0.0069 -0.0131 2258 ARG 37 HH12 0.0284 0.0072 -0.0158 2259 ARG 37 HH11 0.0244 0.0065 -0.0139 2260 ARG 37 HH22 0.0272 0.0079 -0.0167 2261 ARG 37 HH21 0.0223 0.0078 -0.0156 2262 TYR 38 N 0.0088 -0.0002 0.0003 2263 TYR 38 CA 0.0058 -0.0008 0.0018 2264 TYR 38 C 0.0014 0.0005 0.0005 2265 TYR 38 O 0.0005 0.0013 -0.0006 2266 TYR 38 CB 0.0057 -0.0033 0.0060 2267 TYR 38 CG 0.0028 -0.0041 0.0078 2268 TYR 38 CD1 0.0041 -0.0043 0.0079 2269 TYR 38 CD2 -0.0011 -0.0046 0.0094 2270 TYR 38 CE1 0.0015 -0.0050 0.0096 2271 TYR 38 CE2 -0.0038 -0.0053 0.0110 2272 TYR 38 CZ -0.0025 -0.0055 0.0111 2273 TYR 38 OH -0.0050 -0.0062 0.0128 2274 TYR 38 H 0.0078 0.0006 -0.0009 2275 TYR 38 HA 0.0067 -0.0003 0.0008 2276 TYR 38 HB3 0.0088 -0.0042 0.0069 2277 TYR 38 HB2 0.0047 -0.0038 0.0070 2278 TYR 38 HD1 0.0071 -0.0040 0.0067 2279 TYR 38 HD2 -0.0022 -0.0044 0.0093 2280 TYR 38 HE1 0.0025 -0.0052 0.0096 2281 TYR 38 HE2 -0.0068 -0.0056 0.0122 2282 TYR 38 HH -0.0075 -0.0066 0.0139 2283 LYS 39 N 0.0016 0.0036 0.0219 2284 LYS 39 CA 0.0013 0.0000 0.0193 2285 LYS 39 C 0.0008 -0.0020 0.0158 2286 LYS 39 O 0.0010 -0.0044 0.0170 2287 LYS 39 CB 0.0018 -0.0037 0.0225 2288 LYS 39 CG 0.0023 -0.0021 0.0256 2289 LYS 39 CD 0.0028 -0.0060 0.0287 2290 LYS 39 CE 0.0034 -0.0052 0.0336 2291 LYS 39 NZ 0.0035 -0.0054 0.0342 2292 LYS 39 H 0.0021 0.0027 0.0249 2293 LYS 39 HA 0.0010 0.0015 0.0176 2294 LYS 39 HB3 0.0016 -0.0067 0.0205 2295 LYS 39 HB2 0.0021 -0.0050 0.0246 2296 LYS 39 HG3 0.0025 0.0007 0.0277 2297 LYS 39 HG2 0.0019 -0.0009 0.0236 2298 LYS 39 HD3 0.0027 -0.0063 0.0285 2299 LYS 39 HD2 0.0026 -0.0092 0.0275 2300 LYS 39 HE3 0.0035 -0.0018 0.0347 2301 LYS 39 HE2 0.0038 -0.0077 0.0358 2302 LYS 39 HZ1 0.0032 -0.0036 0.0318 2303 LYS 39 HZ2 0.0036 -0.0087 0.0340 2304 LYS 39 HZ3 0.0040 -0.0041 0.0373 2305 ALA 40 N 0.0002 -0.0009 0.0115 2306 ALA 40 CA -0.0003 -0.0025 0.0078 2307 ALA 40 C -0.0005 -0.0070 0.0058 2308 ALA 40 O -0.0007 -0.0099 0.0043 2309 ALA 40 CB -0.0009 0.0011 0.0042 2310 ALA 40 H 0.0001 0.0011 0.0108 2311 ALA 40 HA -0.0001 -0.0031 0.0092 2312 ALA 40 HB1 -0.0013 -0.0002 0.0014 2313 ALA 40 HB2 -0.0007 0.0042 0.0056 2314 ALA 40 HB3 -0.0011 0.0018 0.0028 2315 ASN 41 N 0.0010 -0.0001 0.0089 2316 ASN 41 CA 0.0011 -0.0020 0.0079 2317 ASN 41 C 0.0024 -0.0017 0.0062 2318 ASN 41 O 0.0032 0.0000 0.0058 2319 ASN 41 CB 0.0001 -0.0031 0.0089 2320 ASN 41 CG -0.0012 -0.0032 0.0108 2321 ASN 41 OD1 -0.0016 -0.0042 0.0111 2322 ASN 41 ND2 -0.0018 -0.0022 0.0121 2323 ASN 41 H 0.0008 0.0000 0.0092 2324 ASN 41 HA 0.0010 -0.0030 0.0077 2325 ASN 41 HB3 0.0002 -0.0046 0.0083 2326 ASN 41 HB2 0.0003 -0.0023 0.0090 2327 ASN 41 HD22 -0.0027 -0.0023 0.0133 2328 ASN 41 HD21 -0.0014 -0.0014 0.0118 2329 TYR 42 N 0.0028 -0.0034 0.0051 2330 TYR 42 CA 0.0040 -0.0032 0.0034 2331 TYR 42 C 0.0039 -0.0053 0.0027 2332 TYR 42 O 0.0031 -0.0069 0.0033 2333 TYR 42 CB 0.0051 -0.0026 0.0021 2334 TYR 42 CG 0.0051 -0.0042 0.0014 2335 TYR 42 CD1 0.0043 -0.0046 0.0024 2336 TYR 42 CD2 0.0059 -0.0053 -0.0003 2337 TYR 42 CE1 0.0043 -0.0060 0.0018 2338 TYR 42 CE2 0.0060 -0.0068 -0.0009 2339 TYR 42 CZ 0.0052 -0.0071 0.0002 2340 TYR 42 OH 0.0052 -0.0085 -0.0005 2341 TYR 42 H 0.0022 -0.0048 0.0054 2342 TYR 42 HA 0.0041 -0.0021 0.0036 2343 TYR 42 HB3 0.0050 -0.0012 0.0026 2344 TYR 42 HB2 0.0059 -0.0022 0.0010 2345 TYR 42 HD1 0.0036 -0.0037 0.0037 2346 TYR 42 HD2 0.0066 -0.0050 -0.0011 2347 TYR 42 HE1 0.0037 -0.0063 0.0026 2348 TYR 42 HE2 0.0067 -0.0076 -0.0022 2349 TYR 42 HH 0.0060 -0.0088 -0.0017 2350 CYS 43 N 0.0109 -0.0018 -0.0042 2351 CYS 43 CA 0.0105 -0.0023 -0.0045 2352 CYS 43 C 0.0115 -0.0033 -0.0056 2353 CYS 43 O 0.0129 -0.0031 -0.0058 2354 CYS 43 CB 0.0106 -0.0012 -0.0037 2355 CYS 43 SG 0.0095 0.0001 -0.0023 2356 CYS 43 H 0.0119 -0.0011 -0.0039 2357 CYS 43 HA 0.0092 -0.0028 -0.0045 2358 CYS 43 HB3 0.0103 -0.0016 -0.0039 2359 CYS 43 HB2 0.0119 -0.0008 -0.0037 2360 SER 44 N 0.0107 -0.0043 -0.0062 2361 SER 44 CA 0.0116 -0.0053 -0.0072 2362 SER 44 C 0.0107 -0.0061 -0.0075 2363 SER 44 O 0.0092 -0.0064 -0.0074 2364 SER 44 CB 0.0120 -0.0062 -0.0080 2365 SER 44 OG 0.0128 -0.0071 -0.0090 2366 SER 44 H 0.0096 -0.0044 -0.0059 2367 SER 44 HA 0.0127 -0.0048 -0.0071 2368 SER 44 HB3 0.0109 -0.0066 -0.0080 2369 SER 44 HB2 0.0127 -0.0056 -0.0078 2370 SER 44 HG 0.0139 -0.0069 -0.0092 2371 GLY 45 N 0.0204 -0.0007 -0.0107 2372 GLY 45 CA 0.0169 0.0030 -0.0110 2373 GLY 45 C 0.0124 0.0026 -0.0074 2374 GLY 45 O 0.0120 -0.0008 -0.0044 2375 GLY 45 H 0.0197 -0.0022 -0.0089 2376 GLY 45 HA3 0.0177 0.0035 -0.0121 2377 GLY 45 HA2 0.0166 0.0058 -0.0132 2378 GLN 46 N 0.0090 0.0061 -0.0077 2379 GLN 46 CA 0.0045 0.0063 -0.0046 2380 GLN 46 C 0.0034 0.0045 -0.0023 2381 GLN 46 O 0.0053 0.0048 -0.0039 2382 GLN 46 CB 0.0013 0.0109 -0.0060 2383 GLN 46 CG 0.0020 0.0132 -0.0084 2384 GLN 46 CD 0.0017 0.0111 -0.0064 2385 GLN 46 OE1 0.0052 0.0097 -0.0079 2386 GLN 46 NE2 -0.0018 0.0107 -0.0035 2387 GLN 46 H 0.0095 0.0087 -0.0103 2388 GLN 46 HA 0.0040 0.0045 -0.0027 2389 GLN 46 HB3 -0.0021 0.0110 -0.0036 2390 GLN 46 HB2 0.0014 0.0127 -0.0075 2391 GLN 46 HG3 -0.0004 0.0165 -0.0093 2392 GLN 46 HG2 0.0052 0.0134 -0.0110 2393 GLN 46 HE22 -0.0020 0.0092 -0.0022 2394 GLN 46 HE21 -0.0044 0.0118 -0.0025 2395 CYS 47 N -0.0043 0.0067 0.0063 2396 CYS 47 CA -0.0036 0.0016 0.0056 2397 CYS 47 C -0.0090 0.0032 0.0073 2398 CYS 47 O -0.0148 -0.0003 0.0086 2399 CYS 47 CB -0.0044 -0.0065 0.0050 2400 CYS 47 SG 0.0030 -0.0095 0.0027 2401 CYS 47 H -0.0092 0.0070 0.0078 2402 CYS 47 HA 0.0018 0.0025 0.0042 2403 CYS 47 HB3 -0.0050 -0.0101 0.0049 2404 CYS 47 HB2 -0.0094 -0.0072 0.0064 2405 GLU 48 N -0.0072 0.0085 0.0073 2406 GLU 48 CA -0.0120 0.0106 0.0089 2407 GLU 48 C -0.0090 0.0086 0.0078 2408 GLU 48 O -0.0024 0.0076 0.0059 2409 GLU 48 CB -0.0135 0.0189 0.0101 2410 GLU 48 CG -0.0176 0.0208 0.0115 2411 GLU 48 CD -0.0162 0.0287 0.0119 2412 GLU 48 OE1 -0.0128 0.0332 0.0114 2413 GLU 48 OE2 -0.0185 0.0304 0.0127 2414 GLU 48 H -0.0023 0.0111 0.0062 2415 GLU 48 HA -0.0171 0.0075 0.0100 2416 GLU 48 HB3 -0.0166 0.0206 0.0112 2417 GLU 48 HB2 -0.0084 0.0221 0.0090 2418 GLU 48 HG3 -0.0163 0.0169 0.0107 2419 GLU 48 HG2 -0.0234 0.0200 0.0130 2420 TYR 49 N 0.0117 0.0050 -0.0014 2421 TYR 49 CA 0.0113 0.0007 -0.0004 2422 TYR 49 C 0.0056 0.0099 0.0049 2423 TYR 49 O 0.0065 0.0212 0.0023 2424 TYR 49 CB 0.0087 -0.0125 0.0047 2425 TYR 49 CG 0.0144 -0.0218 -0.0006 2426 TYR 49 CD1 0.0220 -0.0265 -0.0089 2427 TYR 49 CD2 0.0122 -0.0256 0.0026 2428 TYR 49 CE1 0.0273 -0.0349 -0.0138 2429 TYR 49 CE2 0.0174 -0.0340 -0.0023 2430 TYR 49 CZ 0.0249 -0.0386 -0.0105 2431 TYR 49 OH 0.0302 -0.0470 -0.0154 2432 TYR 49 H 0.0173 0.0053 -0.0081 2433 TYR 49 HA 0.0175 0.0003 -0.0076 2434 TYR 49 HB3 0.0085 -0.0157 0.0054 2435 TYR 49 HB2 0.0024 -0.0123 0.0120 2436 TYR 49 HD1 0.0240 -0.0236 -0.0115 2437 TYR 49 HD2 0.0063 -0.0220 0.0090 2438 TYR 49 HE1 0.0332 -0.0385 -0.0202 2439 TYR 49 HE2 0.0156 -0.0370 0.0003 2440 TYR 49 HH 0.0352 -0.0492 -0.0209 2441 MET 50 N -0.0002 0.0051 0.0125 2442 MET 50 CA -0.0054 0.0132 0.0174 2443 MET 50 C -0.0143 0.0152 0.0275 2444 MET 50 O -0.0198 0.0207 0.0331 2445 MET 50 CB -0.0053 0.0075 0.0181 2446 MET 50 CG 0.0033 0.0043 0.0085 2447 MET 50 SD 0.0031 -0.0025 0.0098 2448 MET 50 CE -0.0016 0.0109 0.0132 2449 MET 50 H -0.0010 -0.0041 0.0148 2450 MET 50 HA -0.0030 0.0223 0.0132 2451 MET 50 HB3 -0.0089 0.0140 0.0214 2452 MET 50 HB2 -0.0085 -0.0009 0.0231 2453 MET 50 HG3 0.0069 -0.0023 0.0053 2454 MET 50 HG2 0.0064 0.0128 0.0036 2455 MET 50 HE1 -0.0022 0.0086 0.0143 2456 MET 50 HE2 -0.0076 0.0139 0.0199 2457 MET 50 HE3 0.0023 0.0186 0.0075 2458 PHE 51 N -0.0049 0.0035 0.0031 2459 PHE 51 CA -0.0036 0.0036 0.0021 2460 PHE 51 C -0.0020 0.0027 0.0026 2461 PHE 51 O -0.0015 0.0021 0.0033 2462 PHE 51 CB -0.0034 0.0043 0.0006 2463 PHE 51 CG -0.0048 0.0053 -0.0002 2464 PHE 51 CD1 -0.0057 0.0057 -0.0003 2465 PHE 51 CD2 -0.0054 0.0058 -0.0007 2466 PHE 51 CE1 -0.0071 0.0066 -0.0009 2467 PHE 51 CE2 -0.0067 0.0067 -0.0013 2468 PHE 51 CZ -0.0076 0.0071 -0.0014 2469 PHE 51 H -0.0053 0.0038 0.0027 2470 PHE 51 HA -0.0040 0.0038 0.0019 2471 PHE 51 HB3 -0.0024 0.0044 -0.0002 2472 PHE 51 HB2 -0.0030 0.0041 0.0007 2473 PHE 51 HD1 -0.0054 0.0053 0.0002 2474 PHE 51 HD2 -0.0047 0.0055 -0.0006 2475 PHE 51 HE1 -0.0078 0.0069 -0.0010 2476 PHE 51 HE2 -0.0071 0.0071 -0.0018 2477 PHE 51 HZ -0.0087 0.0077 -0.0019 2478 MET 52 N -0.0012 0.0025 0.0023 2479 MET 52 CA 0.0004 0.0018 0.0026 2480 MET 52 C 0.0006 0.0008 0.0042 2481 MET 52 O 0.0018 0.0001 0.0046 2482 MET 52 CB 0.0016 0.0019 0.0016 2483 MET 52 CG 0.0013 0.0029 0.0000 2484 MET 52 SD 0.0014 0.0034 -0.0009 2485 MET 52 CE 0.0035 0.0028 -0.0013 2486 MET 52 H -0.0018 0.0030 0.0019 2487 MET 52 HA 0.0007 0.0018 0.0023 2488 MET 52 HB3 0.0028 0.0014 0.0016 2489 MET 52 HB2 0.0015 0.0016 0.0021 2490 MET 52 HG3 0.0021 0.0029 -0.0006 2491 MET 52 HG2 0.0001 0.0033 0.0001 2492 MET 52 HE1 0.0038 0.0031 -0.0019 2493 MET 52 HE2 0.0041 0.0030 -0.0020 2494 MET 52 HE3 0.0040 0.0021 -0.0003 2495 GLN 53 N -0.0065 -0.0047 -0.0055 2496 GLN 53 CA -0.0074 -0.0064 -0.0061 2497 GLN 53 C -0.0062 -0.0052 -0.0121 2498 GLN 53 O -0.0038 -0.0012 -0.0146 2499 GLN 53 CB -0.0064 -0.0038 -0.0013 2500 GLN 53 CG -0.0082 -0.0059 0.0047 2501 GLN 53 CD -0.0072 -0.0034 0.0095 2502 GLN 53 OE1 -0.0060 -0.0014 0.0084 2503 GLN 53 NE2 -0.0078 -0.0034 0.0150 2504 GLN 53 H -0.0045 -0.0009 -0.0047 2505 GLN 53 HA -0.0097 -0.0105 -0.0056 2506 GLN 53 HB3 -0.0066 -0.0044 -0.0024 2507 GLN 53 HB2 -0.0042 0.0004 -0.0011 2508 GLN 53 HG3 -0.0080 -0.0054 0.0058 2509 GLN 53 HG2 -0.0104 -0.0101 0.0046 2510 GLN 53 HE22 -0.0072 -0.0017 0.0183 2511 GLN 53 HE21 -0.0088 -0.0051 0.0157 2512 LYS 54 N -0.0080 -0.0089 -0.0145 2513 LYS 54 CA -0.0073 -0.0087 -0.0204 2514 LYS 54 C -0.0066 -0.0073 -0.0200 2515 LYS 54 O -0.0044 -0.0040 -0.0232 2516 LYS 54 CB -0.0098 -0.0139 -0.0237 2517 LYS 54 CG -0.0098 -0.0149 -0.0292 2518 LYS 54 CD -0.0126 -0.0203 -0.0318 2519 LYS 54 CE -0.0124 -0.0211 -0.0380 2520 LYS 54 NZ -0.0153 -0.0267 -0.0400 2521 LYS 54 H -0.0099 -0.0120 -0.0122 2522 LYS 54 HA -0.0054 -0.0057 -0.0227 2523 LYS 54 HB3 -0.0118 -0.0170 -0.0207 2524 LYS 54 HB2 -0.0100 -0.0143 -0.0247 2525 LYS 54 HG3 -0.0080 -0.0120 -0.0324 2526 LYS 54 HG2 -0.0098 -0.0146 -0.0281 2527 LYS 54 HD3 -0.0144 -0.0232 -0.0290 2528 LYS 54 HD2 -0.0129 -0.0210 -0.0319 2529 LYS 54 HE3 -0.0109 -0.0190 -0.0410 2530 LYS 54 HE2 -0.0115 -0.0195 -0.0382 2531 LYS 54 HZ1 -0.0164 -0.0285 -0.0386 2532 LYS 54 HZ2 -0.0164 -0.0284 -0.0383 2533 LYS 54 HZ3 -0.0150 -0.0270 -0.0444 2534 TYR 55 N -0.0141 -0.0108 -0.0112 2535 TYR 55 CA -0.0130 -0.0087 -0.0101 2536 TYR 55 C -0.0102 -0.0042 -0.0021 2537 TYR 55 O -0.0106 -0.0060 0.0046 2538 TYR 55 CB -0.0165 -0.0159 -0.0099 2539 TYR 55 CG -0.0191 -0.0197 -0.0184 2540 TYR 55 CD1 -0.0175 -0.0154 -0.0259 2541 TYR 55 CD2 -0.0230 -0.0276 -0.0189 2542 TYR 55 CE1 -0.0198 -0.0189 -0.0337 2543 TYR 55 CE2 -0.0253 -0.0311 -0.0266 2544 TYR 55 CZ -0.0237 -0.0267 -0.0340 2545 TYR 55 OH -0.0260 -0.0303 -0.0418 2546 TYR 55 H -0.0160 -0.0151 -0.0074 2547 TYR 55 HA -0.0117 -0.0051 -0.0156 2548 TYR 55 HB3 -0.0156 -0.0144 -0.0080 2549 TYR 55 HB2 -0.0182 -0.0199 -0.0051 2550 TYR 55 HD1 -0.0145 -0.0093 -0.0258 2551 TYR 55 HD2 -0.0243 -0.0311 -0.0132 2552 TYR 55 HE1 -0.0185 -0.0154 -0.0395 2553 TYR 55 HE2 -0.0283 -0.0372 -0.0269 2554 TYR 55 HH -0.0246 -0.0268 -0.0460 2555 PRO 56 N -0.0073 0.0018 -0.0029 2556 PRO 56 CA -0.0043 0.0069 0.0041 2557 PRO 56 C -0.0057 0.0029 0.0115 2558 PRO 56 O -0.0038 0.0057 0.0186 2559 PRO 56 CB -0.0016 0.0129 -0.0002 2560 PRO 56 CG -0.0041 0.0091 -0.0078 2561 PRO 56 CD -0.0068 0.0039 -0.0108 2562 PRO 56 HA -0.0028 0.0096 0.0063 2563 PRO 56 HB3 0.0006 0.0178 -0.0024 2564 PRO 56 HB2 -0.0006 0.0144 0.0041 2565 PRO 56 HG3 -0.0023 0.0134 -0.0127 2566 PRO 56 HG2 -0.0056 0.0057 -0.0058 2567 PRO 56 HD2 -0.0096 -0.0012 -0.0134 2568 PRO 56 HD3 -0.0056 0.0071 -0.0151 2569 HIS 57 N -0.0074 -0.0011 0.0084 2570 HIS 57 CA -0.0058 -0.0016 0.0096 2571 HIS 57 C -0.0049 -0.0039 0.0109 2572 HIS 57 O -0.0031 -0.0040 0.0122 2573 HIS 57 CB -0.0067 -0.0018 0.0091 2574 HIS 57 CG -0.0052 -0.0023 0.0103 2575 HIS 57 ND1 -0.0049 -0.0047 0.0112 2576 HIS 57 CD2 -0.0039 -0.0008 0.0107 2577 HIS 57 CE1 -0.0035 -0.0046 0.0121 2578 HIS 57 NE2 -0.0029 -0.0023 0.0119 2579 HIS 57 H -0.0089 -0.0009 0.0074 2580 HIS 57 HA -0.0045 -0.0000 0.0101 2581 HIS 57 HB3 -0.0081 -0.0033 0.0086 2582 HIS 57 HB2 -0.0073 -0.0001 0.0082 2583 HIS 57 HD2 -0.0039 0.0011 0.0102 2584 HIS 57 HE1 -0.0030 -0.0063 0.0129 2585 HIS 57 HE2 -0.0018 -0.0015 0.0124 2586 THR 58 N -0.0063 -0.0057 0.0105 2587 THR 58 CA -0.0057 -0.0081 0.0116 2588 THR 58 C -0.0040 -0.0077 0.0127 2589 THR 58 O -0.0024 -0.0086 0.0140 2590 THR 58 CB -0.0076 -0.0098 0.0107 2591 THR 58 OG1 -0.0093 -0.0101 0.0097 2592 THR 58 CG2 -0.0071 -0.0122 0.0119 2593 THR 58 H -0.0078 -0.0055 0.0094 2594 THR 58 HA -0.0052 -0.0089 0.0122 2595 THR 58 HB -0.0082 -0.0090 0.0101 2596 THR 58 HG1 -0.0091 -0.0115 0.0102 2597 THR 58 HG21 -0.0084 -0.0134 0.0113 2598 THR 58 HG22 -0.0058 -0.0120 0.0126 2599 THR 58 HG23 -0.0065 -0.0131 0.0125 2600 HIS 59 N -0.0053 -0.0010 0.0144 2601 HIS 59 CA -0.0026 -0.0011 0.0156 2602 HIS 59 C -0.0013 -0.0006 0.0144 2603 HIS 59 O 0.0002 -0.0009 0.0158 2604 HIS 59 CB -0.0008 -0.0007 0.0151 2605 HIS 59 CG 0.0021 -0.0007 0.0161 2606 HIS 59 ND1 0.0028 -0.0015 0.0187 2607 HIS 59 CD2 0.0045 -0.0001 0.0148 2608 HIS 59 CE1 0.0055 -0.0013 0.0190 2609 HIS 59 NE2 0.0065 -0.0004 0.0166 2610 HIS 59 H -0.0057 -0.0007 0.0135 2611 HIS 59 HA -0.0028 -0.0018 0.0176 2612 HIS 59 HB3 -0.0008 -0.0001 0.0131 2613 HIS 59 HB2 -0.0016 -0.0011 0.0161 2614 HIS 59 HD2 0.0044 0.0006 0.0127 2615 HIS 59 HE1 0.0064 -0.0018 0.0209 2616 HIS 59 HE2 0.0085 -0.0001 0.0160 2617 LEU 60 N -0.0018 0.0002 0.0119 2618 LEU 60 CA -0.0006 0.0008 0.0106 2619 LEU 60 C -0.0017 0.0003 0.0115 2620 LEU 60 O -0.0003 0.0004 0.0117 2621 LEU 60 CB -0.0009 0.0017 0.0076 2622 LEU 60 CG 0.0006 0.0022 0.0066 2623 LEU 60 CD1 -0.0004 0.0030 0.0038 2624 LEU 60 CD2 0.0037 0.0025 0.0066 2625 LEU 60 H -0.0030 0.0004 0.0109 2626 LEU 60 HA 0.0016 0.0008 0.0111 2627 LEU 60 HB3 -0.0003 0.0021 0.0067 2628 LEU 60 HB2 -0.0031 0.0016 0.0072 2629 LEU 60 HG 0.0003 0.0018 0.0078 2630 LEU 60 HD11 0.0007 0.0033 0.0031 2631 LEU 60 HD12 -0.0026 0.0027 0.0039 2632 LEU 60 HD13 -0.0001 0.0034 0.0026 2633 LEU 60 HD21 0.0048 0.0029 0.0059 2634 LEU 60 HD22 0.0041 0.0029 0.0055 2635 LEU 60 HD23 0.0044 0.0019 0.0087 2636 VAL 61 N -0.0006 -0.0023 0.0132 2637 VAL 61 CA -0.0002 -0.0011 0.0117 2638 VAL 61 C -0.0002 -0.0018 0.0105 2639 VAL 61 O 0.0000 -0.0017 0.0088 2640 VAL 61 CB 0.0002 0.0008 0.0125 2641 VAL 61 CG1 0.0007 0.0019 0.0110 2642 VAL 61 CG2 0.0003 0.0016 0.0133 2643 VAL 61 H -0.0007 -0.0020 0.0145 2644 VAL 61 HA -0.0000 -0.0010 0.0109 2645 VAL 61 HB 0.0000 0.0006 0.0136 2646 VAL 61 HG11 0.0009 0.0032 0.0116 2647 VAL 61 HG12 0.0006 0.0013 0.0105 2648 VAL 61 HG13 0.0008 0.0021 0.0099 2649 VAL 61 HG21 0.0006 0.0030 0.0139 2650 VAL 61 HG22 0.0005 0.0018 0.0123 2651 VAL 61 HG23 -0.0000 0.0008 0.0144 2652 GLN 62 N -0.0005 -0.0026 0.0113 2653 GLN 62 CA -0.0005 -0.0033 0.0103 2654 GLN 62 C -0.0007 -0.0047 0.0090 2655 GLN 62 O -0.0006 -0.0049 0.0074 2656 GLN 62 CB -0.0009 -0.0041 0.0116 2657 GLN 62 CG -0.0006 -0.0027 0.0125 2658 GLN 62 CD -0.0010 -0.0035 0.0139 2659 GLN 62 OE1 -0.0013 -0.0041 0.0153 2660 GLN 62 NE2 -0.0010 -0.0035 0.0136 2661 GLN 62 H -0.0007 -0.0026 0.0127 2662 GLN 62 HA -0.0002 -0.0023 0.0096 2663 GLN 62 HB3 -0.0010 -0.0051 0.0108 2664 GLN 62 HB2 -0.0012 -0.0048 0.0126 2665 GLN 62 HG3 -0.0005 -0.0016 0.0131 2666 GLN 62 HG2 -0.0004 -0.0021 0.0115 2667 GLN 62 HE22 -0.0012 -0.0040 0.0145 2668 GLN 62 HE21 -0.0007 -0.0029 0.0125 2669 GLN 63 N -0.0018 -0.0026 0.0102 2670 GLN 63 CA -0.0019 -0.0048 0.0083 2671 GLN 63 C -0.0035 -0.0044 0.0056 2672 GLN 63 O -0.0043 -0.0046 0.0039 2673 GLN 63 CB -0.0006 -0.0076 0.0089 2674 GLN 63 CG 0.0009 -0.0084 0.0113 2675 GLN 63 CD 0.0020 -0.0114 0.0113 2676 GLN 63 OE1 0.0025 -0.0126 0.0114 2677 GLN 63 NE2 0.0025 -0.0128 0.0113 2678 GLN 63 H -0.0011 -0.0030 0.0112 2679 GLN 63 HA -0.0018 -0.0047 0.0086 2680 GLN 63 HB3 -0.0009 -0.0091 0.0072 2681 GLN 63 HB2 -0.0006 -0.0075 0.0090 2682 GLN 63 HG3 0.0014 -0.0073 0.0130 2683 GLN 63 HG2 0.0008 -0.0078 0.0115 2684 GLN 63 HE22 0.0033 -0.0149 0.0113 2685 GLN 63 HE21 0.0021 -0.0118 0.0113 2686 ALA 64 N -0.0040 -0.0039 0.0050 2687 ALA 64 CA -0.0054 -0.0035 0.0025 2688 ALA 64 C -0.0067 -0.0009 0.0017 2689 ALA 64 O -0.0079 -0.0008 -0.0005 2690 ALA 64 CB -0.0056 -0.0033 0.0023 2691 ALA 64 H -0.0033 -0.0037 0.0065 2692 ALA 64 HA -0.0055 -0.0052 0.0011 2693 ALA 64 HB1 -0.0067 -0.0030 0.0004 2694 ALA 64 HB2 -0.0047 -0.0052 0.0027 2695 ALA 64 HB3 -0.0055 -0.0016 0.0037 2696 ASN 65 N -0.0150 0.0057 -0.0107 2697 ASN 65 CA -0.0090 0.0100 -0.0187 2698 ASN 65 C -0.0054 0.0092 -0.0152 2699 ASN 65 O -0.0093 0.0104 -0.0200 2700 ASN 65 CB -0.0163 0.0128 -0.0292 2701 ASN 65 CG -0.0097 0.0177 -0.0384 2702 ASN 65 OD1 -0.0157 0.0199 -0.0466 2703 ASN 65 ND2 0.0006 0.0194 -0.0382 2704 ASN 65 H -0.0130 0.0056 -0.0094 2705 ASN 65 HA -0.0015 0.0119 -0.0202 2706 ASN 65 HB3 -0.0233 0.0112 -0.0282 2707 ASN 65 HB2 -0.0200 0.0129 -0.0310 2708 ASN 65 HD22 0.0048 0.0227 -0.0444 2709 ASN 65 HD21 0.0047 0.0176 -0.0318 2710 PRO 66 N 0.0020 0.0072 -0.0067 2711 PRO 66 CA 0.0054 0.0062 -0.0028 2712 PRO 66 C 0.0139 0.0105 -0.0096 2713 PRO 66 O 0.0187 0.0139 -0.0161 2714 PRO 66 CB 0.0106 0.0027 0.0083 2715 PRO 66 CG 0.0154 0.0040 0.0074 2716 PRO 66 CD 0.0076 0.0057 -0.0004 2717 PRO 66 HA -0.0020 0.0047 -0.0023 2718 PRO 66 HB3 0.0040 -0.0007 0.0140 2719 PRO 66 HB2 0.0174 0.0032 0.0102 2720 PRO 66 HG3 0.0155 0.0009 0.0151 2721 PRO 66 HG2 0.0237 0.0067 0.0043 2722 PRO 66 HD2 0.0125 0.0086 -0.0055 2723 PRO 66 HD3 0.0013 0.0029 0.0039 2724 ARG 67 N 0.0561 0.0049 -0.0150 2725 ARG 67 CA 0.0408 0.0047 -0.0056 2726 ARG 67 C 0.0324 0.0013 -0.0090 2727 ARG 67 O 0.0302 -0.0044 -0.0224 2728 ARG 67 CB 0.0298 0.0008 -0.0085 2729 ARG 67 CG 0.0261 0.0053 0.0055 2730 ARG 67 CD 0.0163 0.0012 0.0013 2731 ARG 67 NE 0.0025 -0.0054 -0.0070 2732 ARG 67 CZ -0.0016 -0.0114 -0.0199 2733 ARG 67 NH1 0.0071 -0.0116 -0.0261 2734 ARG 67 NH2 -0.0144 -0.0172 -0.0267 2735 ARG 67 H 0.0573 0.0023 -0.0227 2736 ARG 67 HA 0.0431 0.0100 0.0065 2737 ARG 67 HB3 0.0185 -0.0035 -0.0124 2738 ARG 67 HB2 0.0352 -0.0016 -0.0182 2739 ARG 67 HG3 0.0374 0.0097 0.0097 2740 ARG 67 HG2 0.0194 0.0072 0.0148 2741 ARG 67 HD3 0.0239 0.0003 -0.0060 2742 ARG 67 HD2 0.0121 0.0042 0.0118 2743 ARG 67 HE -0.0042 -0.0053 -0.0023 2744 ARG 67 HH12 0.0040 -0.0162 -0.0359 2745 ARG 67 HH11 0.0168 -0.0072 -0.0210 2746 ARG 67 HH22 -0.0175 -0.0218 -0.0365 2747 ARG 67 HH21 -0.0211 -0.0171 -0.0220 2748 GLY 68 N 0.0279 0.0049 0.0033 2749 GLY 68 CA 0.0191 0.0022 0.0019 2750 GLY 68 C 0.0296 0.0037 -0.0010 2751 GLY 68 O 0.0235 0.0012 -0.0035 2752 GLY 68 H 0.0306 0.0097 0.0139 2753 GLY 68 HA3 0.0111 -0.0034 -0.0073 2754 GLY 68 HA2 0.0110 0.0042 0.0124 2755 SER 69 N 0.0336 0.0137 -0.0122 2756 SER 69 CA 0.0300 0.0131 -0.0119 2757 SER 69 C 0.0301 0.0127 -0.0215 2758 SER 69 O 0.0256 0.0118 -0.0275 2759 SER 69 CB 0.0205 0.0118 -0.0080 2760 SER 69 OG 0.0142 0.0105 -0.0145 2761 SER 69 H 0.0293 0.0130 -0.0128 2762 SER 69 HA 0.0342 0.0140 -0.0077 2763 SER 69 HB3 0.0202 0.0120 -0.0023 2764 SER 69 HB2 0.0190 0.0117 -0.0055 2765 SER 69 HG 0.0133 0.0104 -0.0144 2766 ALA 70 N 0.0354 0.0135 -0.0229 2767 ALA 70 CA 0.0367 0.0133 -0.0318 2768 ALA 70 C 0.0294 0.0120 -0.0346 2769 ALA 70 O 0.0291 0.0117 -0.0423 2770 ALA 70 CB 0.0457 0.0148 -0.0323 2771 ALA 70 H 0.0386 0.0143 -0.0176 2772 ALA 70 HA 0.0367 0.0131 -0.0366 2773 ALA 70 HB1 0.0466 0.0146 -0.0390 2774 ALA 70 HB2 0.0509 0.0157 -0.0310 2775 ALA 70 HB3 0.0459 0.0150 -0.0273 2776 GLY 71 N -0.0044 -0.0082 0.0043 2777 GLY 71 CA -0.0064 -0.0099 0.0051 2778 GLY 71 C -0.0077 -0.0089 0.0071 2779 GLY 71 O -0.0068 -0.0070 0.0076 2780 GLY 71 H -0.0040 -0.0070 0.0048 2781 GLY 71 HA3 -0.0065 -0.0114 0.0041 2782 GLY 71 HA2 -0.0070 -0.0103 0.0054 2783 PRO 72 N -0.0097 -0.0100 0.0082 2784 PRO 72 CA -0.0109 -0.0090 0.0101 2785 PRO 72 C -0.0106 -0.0088 0.0099 2786 PRO 72 O -0.0102 -0.0103 0.0085 2787 PRO 72 CB -0.0131 -0.0107 0.0110 2788 PRO 72 CG -0.0129 -0.0122 0.0097 2789 PRO 72 CD -0.0109 -0.0123 0.0077 2790 PRO 72 HA -0.0107 -0.0074 0.0110 2791 PRO 72 HB3 -0.0140 -0.0098 0.0125 2792 PRO 72 HB2 -0.0137 -0.0118 0.0108 2793 PRO 72 HG3 -0.0129 -0.0114 0.0103 2794 PRO 72 HG2 -0.0140 -0.0139 0.0096 2795 PRO 72 HD2 -0.0110 -0.0136 0.0069 2796 PRO 72 HD3 -0.0103 -0.0124 0.0071 2797 CYS 73 N -0.0033 -0.0077 0.0010 2798 CYS 73 CA -0.0002 -0.0060 -0.0006 2799 CYS 73 C 0.0025 -0.0058 -0.0006 2800 CYS 73 O 0.0028 -0.0077 0.0013 2801 CYS 73 CB 0.0018 -0.0068 0.0004 2802 CYS 73 SG 0.0036 -0.0101 0.0036 2803 CYS 73 H -0.0029 -0.0097 0.0029 2804 CYS 73 HA -0.0012 -0.0040 -0.0025 2805 CYS 73 HB3 0.0000 -0.0066 0.0001 2806 CYS 73 HB2 0.0040 -0.0054 -0.0009 2807 CYS 74 N 0.0043 -0.0035 -0.0027 2808 CYS 74 CA 0.0071 -0.0032 -0.0029 2809 CYS 74 C 0.0105 -0.0045 -0.0015 2810 CYS 74 O 0.0121 -0.0037 -0.0022 2811 CYS 74 CB 0.0079 -0.0002 -0.0057 2812 CYS 74 SG 0.0110 0.0004 -0.0061 2813 CYS 74 H 0.0037 -0.0020 -0.0042 2814 CYS 74 HA 0.0062 -0.0041 -0.0020 2815 CYS 74 HB3 0.0090 0.0007 -0.0065 2816 CYS 74 HB2 0.0054 0.0007 -0.0067 2817 THR 75 N 0.0097 0.0019 -0.0033 2818 THR 75 CA 0.0108 0.0029 -0.0020 2819 THR 75 C 0.0106 0.0027 -0.0002 2820 THR 75 O 0.0094 0.0017 0.0003 2821 THR 75 CB 0.0109 0.0030 -0.0019 2822 THR 75 OG1 0.0122 0.0042 -0.0013 2823 THR 75 CG2 0.0098 0.0020 -0.0005 2824 THR 75 H 0.0087 0.0011 -0.0028 2825 THR 75 HA 0.0117 0.0038 -0.0026 2826 THR 75 HB 0.0107 0.0029 -0.0032 2827 THR 75 HG1 0.0125 0.0045 -0.0020 2828 THR 75 HG21 0.0099 0.0021 -0.0005 2829 THR 75 HG22 0.0088 0.0011 -0.0011 2830 THR 75 HG23 0.0100 0.0022 0.0008 2831 PRO 76 N 0.0117 0.0037 0.0009 2832 PRO 76 CA 0.0115 0.0036 0.0028 2833 PRO 76 C 0.0105 0.0027 0.0040 2834 PRO 76 O 0.0107 0.0029 0.0041 2835 PRO 76 CB 0.0129 0.0049 0.0035 2836 PRO 76 CG 0.0138 0.0057 0.0019 2837 PRO 76 CD 0.0131 0.0051 0.0004 2838 PRO 76 HA 0.0110 0.0032 0.0027 2839 PRO 76 HB3 0.0130 0.0050 0.0044 2840 PRO 76 HB2 0.0131 0.0051 0.0043 2841 PRO 76 HG3 0.0138 0.0057 0.0014 2842 PRO 76 HG2 0.0148 0.0066 0.0022 2843 PRO 76 HD2 0.0134 0.0054 0.0006 2844 PRO 76 HD3 0.0133 0.0052 -0.0009 2845 THR 77 N -0.0063 0.0117 -0.0068 2846 THR 77 CA -0.0052 0.0056 -0.0075 2847 THR 77 C -0.0015 0.0042 -0.0044 2848 THR 77 O -0.0003 -0.0006 -0.0046 2849 THR 77 CB -0.0039 0.0023 -0.0072 2850 THR 77 OG1 -0.0006 0.0046 -0.0034 2851 THR 77 CG2 -0.0078 0.0028 -0.0107 2852 THR 77 H -0.0042 0.0136 -0.0042 2853 THR 77 HA -0.0079 0.0041 -0.0105 2854 THR 77 HB -0.0028 -0.0021 -0.0074 2855 THR 77 HG1 -0.0016 0.0085 -0.0033 2856 THR 77 HG21 -0.0068 0.0005 -0.0105 2857 THR 77 HG22 -0.0103 0.0010 -0.0136 2858 THR 77 HG23 -0.0090 0.0072 -0.0106 2859 LYS 78 N 0.0004 0.0085 -0.0014 2860 LYS 78 CA 0.0036 0.0078 0.0016 2861 LYS 78 C 0.0036 0.0135 0.0032 2862 LYS 78 O 0.0037 0.0178 0.0044 2863 LYS 78 CB 0.0080 0.0056 0.0051 2864 LYS 78 CG 0.0114 0.0042 0.0080 2865 LYS 78 CD 0.0158 0.0021 0.0116 2866 LYS 78 CE 0.0192 0.0014 0.0146 2867 LYS 78 NZ 0.0235 -0.0006 0.0182 2868 LYS 78 H -0.0005 0.0122 -0.0011 2869 LYS 78 HA 0.0029 0.0048 0.0000 2870 LYS 78 HB3 0.0089 0.0087 0.0068 2871 LYS 78 HB2 0.0079 0.0018 0.0040 2872 LYS 78 HG3 0.0107 0.0010 0.0063 2873 LYS 78 HG2 0.0115 0.0080 0.0091 2874 LYS 78 HD3 0.0165 0.0052 0.0131 2875 LYS 78 HD2 0.0159 -0.0019 0.0105 2876 LYS 78 HE3 0.0186 -0.0018 0.0131 2877 LYS 78 HE2 0.0191 0.0053 0.0156 2878 LYS 78 HZ1 0.0242 0.0024 0.0196 2879 LYS 78 HZ2 0.0257 -0.0010 0.0201 2880 LYS 78 HZ3 0.0236 -0.0043 0.0172 2881 MET 79 N 0.0105 0.0168 0.0031 2882 MET 79 CA 0.0067 0.0171 0.0041 2883 MET 79 C 0.0022 0.0189 0.0040 2884 MET 79 O 0.0022 0.0213 0.0022 2885 MET 79 CB 0.0075 0.0194 0.0021 2886 MET 79 CG 0.0120 0.0178 0.0019 2887 MET 79 SD 0.0115 0.0137 0.0053 2888 MET 79 CE 0.0082 0.0158 0.0046 2889 MET 79 H 0.0112 0.0193 0.0010 2890 MET 79 HA 0.0064 0.0142 0.0064 2891 MET 79 HB3 0.0047 0.0194 0.0029 2892 MET 79 HB2 0.0075 0.0223 -0.0002 2893 MET 79 HG3 0.0129 0.0200 -0.0000 2894 MET 79 HG2 0.0148 0.0171 0.0017 2895 MET 79 HE1 0.0076 0.0136 0.0065 2896 MET 79 HE2 0.0101 0.0178 0.0025 2897 MET 79 HE3 0.0049 0.0174 0.0044 2898 SER 80 N -0.0016 0.0178 0.0060 2899 SER 80 CA -0.0062 0.0196 0.0060 2900 SER 80 C -0.0091 0.0212 0.0057 2901 SER 80 O -0.0084 0.0197 0.0066 2902 SER 80 CB -0.0086 0.0168 0.0089 2903 SER 80 OG -0.0070 0.0163 0.0088 2904 SER 80 H -0.0014 0.0156 0.0076 2905 SER 80 HA -0.0058 0.0219 0.0041 2906 SER 80 HB3 -0.0123 0.0178 0.0092 2907 SER 80 HB2 -0.0080 0.0140 0.0109 2908 SER 80 HG -0.0039 0.0148 0.0090 2909 PRO 81 N -0.0105 0.0138 0.0044 2910 PRO 81 CA -0.0109 0.0116 0.0043 2911 PRO 81 C -0.0113 0.0105 0.0030 2912 PRO 81 O -0.0113 0.0115 0.0021 2913 PRO 81 CB -0.0111 0.0117 0.0032 2914 PRO 81 CG -0.0110 0.0136 0.0018 2915 PRO 81 CD -0.0106 0.0151 0.0029 2916 PRO 81 HA -0.0107 0.0108 0.0058 2917 PRO 81 HB3 -0.0108 0.0119 0.0043 2918 PRO 81 HB2 -0.0115 0.0103 0.0023 2919 PRO 81 HG3 -0.0109 0.0143 0.0017 2920 PRO 81 HG2 -0.0114 0.0132 0.0004 2921 PRO 81 HD2 -0.0107 0.0158 0.0018 2922 PRO 81 HD3 -0.0102 0.0162 0.0037 2923 ILE 82 N -0.0116 0.0084 0.0030 2924 ILE 82 CA -0.0121 0.0073 0.0014 2925 ILE 82 C -0.0125 0.0058 0.0005 2926 ILE 82 O -0.0124 0.0052 0.0016 2927 ILE 82 CB -0.0121 0.0061 0.0021 2928 ILE 82 CG1 -0.0120 0.0046 0.0039 2929 ILE 82 CG2 -0.0118 0.0075 0.0027 2930 ILE 82 CD1 -0.0122 0.0030 0.0043 2931 ILE 82 H -0.0115 0.0077 0.0041 2932 ILE 82 HA -0.0122 0.0084 0.0001 2933 ILE 82 HB -0.0125 0.0052 0.0008 2934 ILE 82 HG13 -0.0122 0.0038 0.0035 2935 ILE 82 HG12 -0.0116 0.0054 0.0053 2936 ILE 82 HG21 -0.0119 0.0066 0.0032 2937 ILE 82 HG22 -0.0119 0.0085 0.0013 2938 ILE 82 HG23 -0.0114 0.0085 0.0039 2939 ILE 82 HD11 -0.0121 0.0019 0.0056 2940 ILE 82 HD12 -0.0126 0.0021 0.0029 2941 ILE 82 HD13 -0.0120 0.0037 0.0047 2942 ASN 83 N -0.0075 -0.0015 0.0008 2943 ASN 83 CA -0.0058 -0.0013 0.0018 2944 ASN 83 C -0.0038 -0.0017 0.0006 2945 ASN 83 O -0.0038 -0.0022 -0.0013 2946 ASN 83 CB -0.0065 -0.0012 0.0021 2947 ASN 83 CG -0.0086 -0.0008 0.0034 2948 ASN 83 OD1 -0.0103 -0.0010 0.0025 2949 ASN 83 ND2 -0.0085 -0.0004 0.0053 2950 ASN 83 H -0.0085 -0.0017 -0.0002 2951 ASN 83 HA -0.0056 -0.0010 0.0034 2952 ASN 83 HB3 -0.0052 -0.0011 0.0029 2953 ASN 83 HB2 -0.0068 -0.0016 0.0006 2954 ASN 83 HD22 -0.0099 -0.0002 0.0061 2955 ASN 83 HD21 -0.0072 -0.0004 0.0059 2956 MET 84 N -0.0020 -0.0016 0.0017 2957 MET 84 CA 0.0001 -0.0019 0.0007 2958 MET 84 C 0.0019 -0.0018 0.0017 2959 MET 84 O 0.0019 -0.0013 0.0036 2960 MET 84 CB 0.0008 -0.0020 0.0005 2961 MET 84 CG -0.0008 -0.0022 -0.0007 2962 MET 84 SD 0.0002 -0.0023 -0.0012 2963 MET 84 CE 0.0020 -0.0029 -0.0032 2964 MET 84 H -0.0020 -0.0012 0.0033 2965 MET 84 HA -0.0001 -0.0023 -0.0009 2966 MET 84 HB3 0.0024 -0.0022 -0.0002 2967 MET 84 HB2 0.0010 -0.0016 0.0021 2968 MET 84 HG3 -0.0023 -0.0019 0.0001 2969 MET 84 HG2 -0.0011 -0.0025 -0.0022 2970 MET 84 HE1 0.0028 -0.0030 -0.0037 2971 MET 84 HE2 0.0033 -0.0028 -0.0027 2972 MET 84 HE3 0.0012 -0.0031 -0.0046 2973 LEU 85 N 0.0029 0.0017 0.0070 2974 LEU 85 CA 0.0022 0.0042 0.0074 2975 LEU 85 C 0.0018 0.0059 0.0056 2976 LEU 85 O 0.0017 0.0060 0.0057 2977 LEU 85 CB 0.0020 0.0050 0.0103 2978 LEU 85 CG 0.0014 0.0072 0.0111 2979 LEU 85 CD1 0.0016 0.0065 0.0110 2980 LEU 85 CD2 0.0012 0.0080 0.0139 2981 LEU 85 H 0.0029 0.0014 0.0076 2982 LEU 85 HA 0.0022 0.0042 0.0068 2983 LEU 85 HB3 0.0019 0.0054 0.0107 2984 LEU 85 HB2 0.0024 0.0034 0.0115 2985 LEU 85 HG 0.0010 0.0088 0.0098 2986 LEU 85 HD11 0.0012 0.0081 0.0116 2987 LEU 85 HD12 0.0017 0.0060 0.0090 2988 LEU 85 HD13 0.0020 0.0049 0.0122 2989 LEU 85 HD21 0.0008 0.0095 0.0145 2990 LEU 85 HD22 0.0016 0.0064 0.0152 2991 LEU 85 HD23 0.0010 0.0086 0.0139 2992 TYR 86 N 0.0014 0.0072 0.0039 2993 TYR 86 CA 0.0011 0.0087 0.0018 2994 TYR 86 C 0.0005 0.0109 0.0009 2995 TYR 86 O 0.0005 0.0111 0.0015 2996 TYR 86 CB 0.0016 0.0069 -0.0005 2997 TYR 86 CG 0.0019 0.0057 -0.0016 2998 TYR 86 CD1 0.0025 0.0034 -0.0007 2999 TYR 86 CD2 0.0016 0.0069 -0.0036 3000 TYR 86 CE1 0.0028 0.0023 -0.0016 3001 TYR 86 CE2 0.0019 0.0058 -0.0046 3002 TYR 86 CZ 0.0025 0.0035 -0.0036 3003 TYR 86 OH 0.0027 0.0024 -0.0046 3004 TYR 86 H 0.0014 0.0073 0.0040 3005 TYR 86 HA 0.0009 0.0094 0.0025 3006 TYR 86 HB3 0.0019 0.0054 0.0001 3007 TYR 86 HB2 0.0013 0.0080 -0.0021 3008 TYR 86 HD1 0.0027 0.0024 0.0009 3009 TYR 86 HD2 0.0011 0.0087 -0.0044 3010 TYR 86 HE1 0.0032 0.0005 -0.0009 3011 TYR 86 HE2 0.0016 0.0067 -0.0061 3012 TYR 86 HH 0.0030 0.0014 -0.0033 3013 PHE 87 N 0.0015 0.0010 0.0065 3014 PHE 87 CA 0.0015 -0.0013 0.0074 3015 PHE 87 C 0.0016 -0.0004 0.0100 3016 PHE 87 O 0.0017 0.0006 0.0120 3017 PHE 87 CB 0.0015 -0.0039 0.0082 3018 PHE 87 CG 0.0014 -0.0053 0.0057 3019 PHE 87 CD1 0.0014 -0.0070 0.0040 3020 PHE 87 CD2 0.0014 -0.0049 0.0051 3021 PHE 87 CE1 0.0013 -0.0083 0.0017 3022 PHE 87 CE2 0.0013 -0.0062 0.0028 3023 PHE 87 CZ 0.0013 -0.0079 0.0011 3024 PHE 87 H 0.0016 0.0011 0.0074 3025 PHE 87 HA 0.0015 -0.0018 0.0057 3026 PHE 87 HB3 0.0015 -0.0054 0.0092 3027 PHE 87 HB2 0.0016 -0.0033 0.0097 3028 PHE 87 HD1 0.0014 -0.0073 0.0044 3029 PHE 87 HD2 0.0015 -0.0036 0.0064 3030 PHE 87 HE1 0.0012 -0.0096 0.0004 3031 PHE 87 HE2 0.0013 -0.0059 0.0024 3032 PHE 87 HZ 0.0012 -0.0089 -0.0006 3033 ASN 88 N 0.0016 -0.0006 0.0098 3034 ASN 88 CA 0.0017 -0.0001 0.0123 3035 ASN 88 C 0.0017 -0.0027 0.0141 3036 ASN 88 O 0.0016 -0.0048 0.0135 3037 ASN 88 CB 0.0017 0.0007 0.0115 3038 ASN 88 CG 0.0016 -0.0015 0.0099 3039 ASN 88 OD1 0.0016 -0.0039 0.0097 3040 ASN 88 ND2 0.0016 -0.0007 0.0089 3041 ASN 88 H 0.0015 -0.0012 0.0080 3042 ASN 88 HA 0.0017 0.0016 0.0135 3043 ASN 88 HB3 0.0017 0.0026 0.0102 3044 ASN 88 HB2 0.0017 0.0013 0.0134 3045 ASN 88 HD22 0.0015 -0.0021 0.0078 3046 ASN 88 HD21 0.0016 0.0012 0.0091 3047 ASP 89 N 0.0103 -0.0270 -0.0062 3048 ASP 89 CA 0.0042 -0.0129 -0.0175 3049 ASP 89 C 0.0010 0.0024 -0.0107 3050 ASP 89 O -0.0037 0.0167 -0.0143 3051 ASP 89 CB 0.0026 -0.0185 -0.0353 3052 ASP 89 CG 0.0039 -0.0292 -0.0451 3053 ASP 89 OD1 0.0048 -0.0289 -0.0400 3054 ASP 89 OD2 0.0042 -0.0380 -0.0578 3055 ASP 89 H 0.0126 -0.0382 -0.0111 3056 ASP 89 HA 0.0029 -0.0091 -0.0188 3057 ASP 89 HB3 -0.0018 -0.0076 -0.0425 3058 ASP 89 HB2 0.0049 -0.0255 -0.0341 3059 LYS 90 N 0.0036 -0.0004 -0.0011 3060 LYS 90 CA 0.0010 0.0134 0.0062 3061 LYS 90 C 0.0019 0.0205 0.0227 3062 LYS 90 O 0.0003 0.0315 0.0316 3063 LYS 90 CB 0.0033 0.0076 0.0098 3064 LYS 90 CG 0.0023 0.0010 -0.0058 3065 LYS 90 CD 0.0069 -0.0113 -0.0002 3066 LYS 90 CE 0.0053 -0.0144 -0.0139 3067 LYS 90 NZ 0.0086 -0.0211 -0.0063 3068 LYS 90 H 0.0075 -0.0123 0.0014 3069 LYS 90 HA -0.0035 0.0232 -0.0030 3070 LYS 90 HB3 0.0015 0.0178 0.0162 3071 LYS 90 HB2 0.0077 -0.0020 0.0193 3072 LYS 90 HG3 0.0025 -0.0053 -0.0148 3073 LYS 90 HG2 -0.0017 0.0114 -0.0118 3074 LYS 90 HD3 0.0076 -0.0064 0.0116 3075 LYS 90 HD2 0.0108 -0.0231 0.0026 3076 LYS 90 HE3 0.0061 -0.0234 -0.0237 3077 LYS 90 HE2 0.0009 -0.0028 -0.0200 3078 LYS 90 HZ1 0.0078 -0.0127 0.0027 3079 LYS 90 HZ2 0.0075 -0.0231 -0.0156 3080 LYS 90 HZ3 0.0127 -0.0320 -0.0007 3081 GLN 91 N 0.0000 -0.0120 0.0212 3082 GLN 91 CA -0.0007 -0.0139 0.0161 3083 GLN 91 C -0.0024 -0.0125 0.0108 3084 GLN 91 O -0.0027 -0.0155 0.0064 3085 GLN 91 CB 0.0010 -0.0202 0.0160 3086 GLN 91 CG 0.0027 -0.0221 0.0212 3087 GLN 91 CD 0.0022 -0.0192 0.0221 3088 GLN 91 OE1 0.0007 -0.0174 0.0181 3089 GLN 91 NE2 0.0033 -0.0187 0.0274 3090 GLN 91 H -0.0001 -0.0092 0.0238 3091 GLN 91 HA -0.0013 -0.0118 0.0160 3092 GLN 91 HB3 0.0004 -0.0215 0.0122 3093 GLN 91 HB2 0.0015 -0.0225 0.0155 3094 GLN 91 HG3 0.0039 -0.0266 0.0208 3095 GLN 91 HG2 0.0034 -0.0213 0.0249 3096 GLN 91 HE22 0.0030 -0.0168 0.0282 3097 GLN 91 HE21 0.0045 -0.0203 0.0305 3098 GLN 92 N -0.0035 -0.0080 0.0113 3099 GLN 92 CA -0.0053 -0.0058 0.0065 3100 GLN 92 C -0.0070 -0.0020 0.0035 3101 GLN 92 O -0.0072 0.0009 0.0062 3102 GLN 92 CB -0.0057 -0.0027 0.0083 3103 GLN 92 CG -0.0040 -0.0063 0.0111 3104 GLN 92 CD -0.0043 -0.0028 0.0138 3105 GLN 92 OE1 -0.0050 0.0018 0.0162 3106 GLN 92 NE2 -0.0038 -0.0050 0.0134 3107 GLN 92 H -0.0031 -0.0060 0.0152 3108 GLN 92 HA -0.0050 -0.0093 0.0035 3109 GLN 92 HB3 -0.0071 -0.0009 0.0046 3110 GLN 92 HB2 -0.0060 0.0009 0.0111 3111 GLN 92 HG3 -0.0026 -0.0086 0.0143 3112 GLN 92 HG2 -0.0039 -0.0094 0.0080 3113 GLN 92 HE22 -0.0040 -0.0029 0.0151 3114 GLN 92 HE21 -0.0033 -0.0088 0.0113 3115 ILE 93 N -0.0167 0.0074 -0.0047 3116 ILE 93 CA -0.0155 0.0079 -0.0041 3117 ILE 93 C -0.0123 0.0139 -0.0066 3118 ILE 93 O -0.0144 0.0172 -0.0112 3119 ILE 93 CB -0.0209 0.0054 -0.0062 3120 ILE 93 CG1 -0.0243 -0.0006 -0.0038 3121 ILE 93 CG2 -0.0195 0.0060 -0.0056 3122 ILE 93 CD1 -0.0302 -0.0029 -0.0065 3123 ILE 93 H -0.0207 0.0067 -0.0072 3124 ILE 93 HA -0.0129 0.0057 -0.0001 3125 ILE 93 HB -0.0235 0.0077 -0.0103 3126 ILE 93 HG13 -0.0244 -0.0010 -0.0035 3127 ILE 93 HG12 -0.0221 -0.0030 0.0001 3128 ILE 93 HG21 -0.0233 0.0042 -0.0072 3129 ILE 93 HG22 -0.0172 0.0103 -0.0075 3130 ILE 93 HG23 -0.0168 0.0039 -0.0016 3131 ILE 93 HD11 -0.0324 -0.0072 -0.0046 3132 ILE 93 HD12 -0.0325 -0.0006 -0.0103 3133 ILE 93 HD13 -0.0301 -0.0027 -0.0067 3134 ILE 94 N -0.0070 0.0154 -0.0037 3135 ILE 94 CA -0.0034 0.0210 -0.0057 3136 ILE 94 C -0.0014 0.0217 -0.0047 3137 ILE 94 O 0.0006 0.0186 -0.0004 3138 ILE 94 CB 0.0018 0.0232 -0.0034 3139 ILE 94 CG1 0.0001 0.0227 -0.0043 3140 ILE 94 CG2 0.0056 0.0291 -0.0054 3141 ILE 94 CD1 -0.0032 0.0261 -0.0099 3142 ILE 94 H -0.0054 0.0125 0.0000 3143 ILE 94 HA -0.0058 0.0235 -0.0097 3144 ILE 94 HB 0.0042 0.0207 0.0007 3145 ILE 94 HG13 0.0038 0.0238 -0.0023 3146 ILE 94 HG12 -0.0025 0.0184 -0.0027 3147 ILE 94 HG21 0.0093 0.0306 -0.0037 3148 ILE 94 HG22 0.0071 0.0293 -0.0044 3149 ILE 94 HG23 0.0033 0.0317 -0.0094 3150 ILE 94 HD11 -0.0043 0.0255 -0.0102 3151 ILE 94 HD12 -0.0006 0.0304 -0.0115 3152 ILE 94 HD13 -0.0071 0.0248 -0.0119 3153 TYR 95 N -0.0009 0.0088 0.0058 3154 TYR 95 CA 0.0024 0.0056 0.0078 3155 TYR 95 C 0.0004 -0.0017 0.0033 3156 TYR 95 O -0.0002 -0.0065 0.0009 3157 TYR 95 CB 0.0092 0.0037 0.0136 3158 TYR 95 CG 0.0129 -0.0008 0.0156 3159 TYR 95 CD1 0.0147 0.0032 0.0187 3160 TYR 95 CD2 0.0148 -0.0088 0.0144 3161 TYR 95 CE1 0.0182 -0.0008 0.0206 3162 TYR 95 CE2 0.0183 -0.0129 0.0163 3163 TYR 95 CZ 0.0200 -0.0089 0.0194 3164 TYR 95 OH 0.0234 -0.0128 0.0213 3165 TYR 95 H 0.0005 0.0064 0.0062 3166 TYR 95 HA 0.0014 0.0099 0.0084 3167 TYR 95 HB3 0.0101 0.0004 0.0133 3168 TYR 95 HB2 0.0106 0.0091 0.0169 3169 TYR 95 HD1 0.0134 0.0094 0.0198 3170 TYR 95 HD2 0.0135 -0.0121 0.0120 3171 TYR 95 HE1 0.0195 0.0024 0.0230 3172 TYR 95 HE2 0.0197 -0.0192 0.0154 3173 TYR 95 HH 0.0242 -0.0091 0.0234 3174 GLY 96 N -0.0005 -0.0026 0.0021 3175 GLY 96 CA -0.0024 -0.0094 -0.0022 3176 GLY 96 C -0.0013 -0.0108 -0.0017 3177 GLY 96 O -0.0016 -0.0054 -0.0000 3178 GLY 96 H 0.0002 0.0015 0.0042 3179 GLY 96 HA3 -0.0071 -0.0087 -0.0065 3180 GLY 96 HA2 -0.0000 -0.0145 -0.0018 3181 LYS 97 N -0.0092 -0.0062 -0.0019 3182 LYS 97 CA -0.0102 -0.0053 -0.0022 3183 LYS 97 C -0.0145 -0.0051 -0.0035 3184 LYS 97 O -0.0165 -0.0080 -0.0040 3185 LYS 97 CB -0.0087 -0.0084 -0.0016 3186 LYS 97 CG -0.0075 -0.0067 -0.0013 3187 LYS 97 CD -0.0071 -0.0099 -0.0011 3188 LYS 97 CE -0.0105 -0.0126 -0.0020 3189 LYS 97 NZ -0.0098 -0.0163 -0.0017 3190 LYS 97 H -0.0088 -0.0090 -0.0016 3191 LYS 97 HA -0.0090 -0.0024 -0.0020 3192 LYS 97 HB3 -0.0108 -0.0107 -0.0022 3193 LYS 97 HB2 -0.0063 -0.0099 -0.0009 3194 LYS 97 HG3 -0.0048 -0.0052 -0.0006 3195 LYS 97 HG2 -0.0095 -0.0046 -0.0020 3196 LYS 97 HD3 -0.0045 -0.0116 -0.0003 3197 LYS 97 HD2 -0.0067 -0.0086 -0.0011 3198 LYS 97 HE3 -0.0129 -0.0111 -0.0028 3199 LYS 97 HE2 -0.0112 -0.0135 -0.0022 3200 LYS 97 HZ1 -0.0076 -0.0177 -0.0010 3201 LYS 97 HZ2 -0.0121 -0.0180 -0.0023 3202 LYS 97 HZ3 -0.0092 -0.0155 -0.0015 3203 ILE 98 N -0.0160 -0.0017 -0.0040 3204 ILE 98 CA -0.0200 -0.0010 -0.0052 3205 ILE 98 C -0.0216 -0.0011 -0.0057 3206 ILE 98 O -0.0210 0.0016 -0.0056 3207 ILE 98 CB -0.0209 0.0030 -0.0057 3208 ILE 98 CG1 -0.0190 0.0033 -0.0051 3209 ILE 98 CG2 -0.0252 0.0035 -0.0069 3210 ILE 98 CD1 -0.0204 0.0003 -0.0054 3211 ILE 98 H -0.0142 0.0006 -0.0036 3212 ILE 98 HA -0.0214 -0.0033 -0.0056 3213 ILE 98 HB -0.0198 0.0053 -0.0054 3214 ILE 98 HG13 -0.0194 0.0063 -0.0053 3215 ILE 98 HG12 -0.0160 0.0031 -0.0042 3216 ILE 98 HG21 -0.0258 0.0063 -0.0072 3217 ILE 98 HG22 -0.0264 0.0034 -0.0073 3218 ILE 98 HG23 -0.0264 0.0012 -0.0072 3219 ILE 98 HD11 -0.0189 0.0008 -0.0050 3220 ILE 98 HD12 -0.0234 0.0007 -0.0063 3221 ILE 98 HD13 -0.0198 -0.0026 -0.0051 3222 PRO 99 N -0.0210 0.0072 -0.0163 3223 PRO 99 CA -0.0148 0.0085 -0.0149 3224 PRO 99 C -0.0148 0.0090 -0.0087 3225 PRO 99 O -0.0197 0.0083 -0.0066 3226 PRO 99 CB -0.0136 0.0082 -0.0206 3227 PRO 99 CG -0.0180 0.0070 -0.0257 3228 PRO 99 CD -0.0237 0.0062 -0.0222 3229 PRO 99 HA -0.0112 0.0092 -0.0147 3230 PRO 99 HB3 -0.0087 0.0090 -0.0223 3231 PRO 99 HB2 -0.0147 0.0081 -0.0193 3232 PRO 99 HG3 -0.0158 0.0071 -0.0284 3233 PRO 99 HG2 -0.0193 0.0065 -0.0287 3234 PRO 99 HD2 -0.0268 0.0057 -0.0210 3235 PRO 99 HD3 -0.0257 0.0056 -0.0249 3236 GLY 100 N -0.0093 0.0103 -0.0058 3237 GLY 100 CA -0.0084 0.0109 -0.0004 3238 GLY 100 C -0.0119 0.0108 0.0057 3239 GLY 100 O -0.0141 0.0107 0.0092 3240 GLY 100 H -0.0055 0.0108 -0.0074 3241 GLY 100 HA3 -0.0097 0.0105 -0.0018 3242 GLY 100 HA2 -0.0033 0.0119 0.0006 3243 MET 101 N -0.0055 0.0090 0.0057 3244 MET 101 CA -0.0070 0.0071 0.0076 3245 MET 101 C -0.0057 0.0067 0.0093 3246 MET 101 O -0.0059 0.0053 0.0115 3247 MET 101 CB -0.0098 0.0065 0.0063 3248 MET 101 CG -0.0115 0.0063 0.0051 3249 MET 101 SD -0.0122 0.0045 0.0074 3250 MET 101 CE -0.0144 0.0026 0.0088 3251 MET 101 H -0.0057 0.0098 0.0042 3252 MET 101 HA -0.0070 0.0064 0.0087 3253 MET 101 HB3 -0.0107 0.0052 0.0076 3254 MET 101 HB2 -0.0098 0.0074 0.0048 3255 MET 101 HG3 -0.0133 0.0061 0.0039 3256 MET 101 HG2 -0.0105 0.0076 0.0039 3257 MET 101 HE1 -0.0150 0.0014 0.0102 3258 MET 101 HE2 -0.0161 0.0026 0.0073 3259 MET 101 HE3 -0.0133 0.0026 0.0096 3260 VAL 102 N -0.0045 0.0079 0.0084 3261 VAL 102 CA -0.0033 0.0077 0.0098 3262 VAL 102 C -0.0003 0.0090 0.0101 3263 VAL 102 O 0.0006 0.0106 0.0083 3264 VAL 102 CB -0.0044 0.0079 0.0085 3265 VAL 102 CG1 -0.0030 0.0077 0.0100 3266 VAL 102 CG2 -0.0073 0.0065 0.0083 3267 VAL 102 H -0.0044 0.0091 0.0066 3268 VAL 102 HA -0.0037 0.0063 0.0116 3269 VAL 102 HB -0.0040 0.0092 0.0066 3270 VAL 102 HG11 -0.0038 0.0079 0.0090 3271 VAL 102 HG12 -0.0009 0.0088 0.0100 3272 VAL 102 HG13 -0.0033 0.0064 0.0119 3273 VAL 102 HG21 -0.0080 0.0067 0.0074 3274 VAL 102 HG22 -0.0077 0.0052 0.0101 3275 VAL 102 HG23 -0.0082 0.0067 0.0072 3276 VAL 103 N 0.0028 0.0114 0.0098 3277 VAL 103 CA 0.0039 0.0107 0.0094 3278 VAL 103 C 0.0024 0.0096 0.0101 3279 VAL 103 O 0.0014 0.0080 0.0106 3280 VAL 103 CB 0.0056 0.0091 0.0089 3281 VAL 103 CG1 0.0064 0.0081 0.0086 3282 VAL 103 CG2 0.0073 0.0103 0.0081 3283 VAL 103 H 0.0028 0.0105 0.0098 3284 VAL 103 HA 0.0044 0.0121 0.0091 3285 VAL 103 HB 0.0051 0.0079 0.0092 3286 VAL 103 HG11 0.0077 0.0069 0.0082 3287 VAL 103 HG12 0.0052 0.0072 0.0092 3288 VAL 103 HG13 0.0069 0.0093 0.0083 3289 VAL 103 HG21 0.0086 0.0092 0.0077 3290 VAL 103 HG22 0.0078 0.0116 0.0078 3291 VAL 103 HG23 0.0067 0.0111 0.0083 3292 ASP 104 N 0.0021 0.0105 0.0101 3293 ASP 104 CA 0.0007 0.0095 0.0107 3294 ASP 104 C 0.0019 0.0079 0.0104 3295 ASP 104 O 0.0010 0.0063 0.0109 3296 ASP 104 CB -0.0003 0.0113 0.0110 3297 ASP 104 CG -0.0015 0.0130 0.0113 3298 ASP 104 OD1 -0.0023 0.0123 0.0117 3299 ASP 104 OD2 -0.0016 0.0149 0.0112 3300 ASP 104 H 0.0029 0.0118 0.0097 3301 ASP 104 HA -0.0004 0.0087 0.0113 3302 ASP 104 HB3 -0.0013 0.0106 0.0114 3303 ASP 104 HB2 0.0009 0.0121 0.0105 3304 ARG 105 N 0.0018 0.0060 0.0032 3305 ARG 105 CA 0.0019 0.0049 0.0027 3306 ARG 105 C 0.0032 0.0050 0.0018 3307 ARG 105 O 0.0039 0.0060 0.0017 3308 ARG 105 CB 0.0013 0.0051 0.0033 3309 ARG 105 CG 0.0014 0.0042 0.0028 3310 ARG 105 CD 0.0007 0.0045 0.0034 3311 ARG 105 NE -0.0003 0.0050 0.0044 3312 ARG 105 CZ -0.0007 0.0059 0.0050 3313 ARG 105 NH1 -0.0002 0.0064 0.0049 3314 ARG 105 NH2 -0.0017 0.0063 0.0059 3315 ARG 105 H 0.0025 0.0068 0.0031 3316 ARG 105 HA 0.0015 0.0040 0.0026 3317 ARG 105 HB3 0.0015 0.0061 0.0035 3318 ARG 105 HB2 0.0004 0.0050 0.0039 3319 ARG 105 HG3 0.0010 0.0032 0.0026 3320 ARG 105 HG2 0.0023 0.0043 0.0022 3321 ARG 105 HD3 0.0004 0.0036 0.0033 3322 ARG 105 HD2 0.0013 0.0053 0.0033 3323 ARG 105 HE -0.0007 0.0047 0.0045 3324 ARG 105 HH12 -0.0005 0.0070 0.0054 3325 ARG 105 HH11 0.0005 0.0061 0.0042 3326 ARG 105 HH22 -0.0020 0.0069 0.0064 3327 ARG 105 HH21 -0.0020 0.0059 0.0060 3328 CYS 106 N 0.0034 0.0038 0.0011 3329 CYS 106 CA 0.0046 0.0037 0.0002 3330 CYS 106 C 0.0046 0.0030 -0.0000 3331 CYS 106 O 0.0038 0.0022 0.0002 3332 CYS 106 CB 0.0050 0.0028 -0.0004 3333 CYS 106 SG 0.0051 0.0035 -0.0002 3334 CYS 106 H 0.0028 0.0030 0.0013 3335 CYS 106 HA 0.0052 0.0046 0.0002 3336 CYS 106 HB3 0.0058 0.0026 -0.0011 3337 CYS 106 HB2 0.0044 0.0019 -0.0004 3338 GLY 107 N 0.0025 -0.0071 -0.0022 3339 GLY 107 CA 0.0012 -0.0071 -0.0020 3340 GLY 107 C -0.0009 -0.0072 -0.0017 3341 GLY 107 O -0.0013 -0.0073 -0.0016 3342 GLY 107 H 0.0020 -0.0076 -0.0020 3343 GLY 107 HA3 0.0015 -0.0084 -0.0018 3344 GLY 107 HA2 0.0014 -0.0059 -0.0023 3345 CYS 108 N -0.0023 -0.0070 -0.0015 3346 CYS 108 CA -0.0043 -0.0071 -0.0012 3347 CYS 108 C -0.0051 -0.0091 -0.0006 3348 CYS 108 O -0.0052 -0.0098 -0.0004 3349 CYS 108 CB -0.0055 -0.0056 -0.0013 3350 CYS 108 SG -0.0050 -0.0031 -0.0019 3351 CYS 108 H -0.0019 -0.0069 -0.0016 3352 CYS 108 HA -0.0045 -0.0067 -0.0012 3353 CYS 108 HB3 -0.0070 -0.0058 -0.0010 3354 CYS 108 HB2 -0.0052 -0.0058 -0.0013 3355 SER 109 N -0.0106 -0.0175 0.0002 3356 SER 109 CA -0.0111 -0.0189 0.0005 3357 SER 109 C -0.0125 -0.0191 0.0026 3358 SER 109 O -0.0132 -0.0195 0.0035 3359 SER 109 CB -0.0108 -0.0211 -0.0005 3360 SER 109 OG -0.0095 -0.0209 -0.0024 3361 SER 109 OXT -0.0130 -0.0189 0.0033 3362 SER 109 H -0.0109 -0.0180 0.0006 3363 SER 109 HA -0.0106 -0.0181 0.0001 3364 SER 109 HB3 -0.0111 -0.0220 -0.0004 3365 SER 109 HB2 -0.0113 -0.0220 0.0000 3366 SER 109 HG -0.0092 -0.0201 -0.0025