1 ASN 1 N 0.0091 0.0127 0.0356 2 ASN 1 CA 0.0182 0.0112 0.0362 3 ASN 1 C 0.0217 0.0095 0.0270 4 ASN 1 O 0.0290 0.0080 0.0249 5 ASN 1 CB 0.0188 0.0118 0.0419 6 ASN 1 CG 0.0280 0.0102 0.0423 7 ASN 1 OD1 0.0287 0.0102 0.0434 8 ASN 1 ND2 0.0345 0.0089 0.0414 9 ASN 1 H1 0.0069 0.0139 0.0418 10 ASN 1 H2 0.0089 0.0124 0.0321 11 ASN 1 HA 0.0222 0.0109 0.0393 12 ASN 1 HB3 0.0143 0.0123 0.0393 13 ASN 1 HB2 0.0167 0.0129 0.0486 14 ASN 1 HD22 0.0406 0.0079 0.0416 15 ASN 1 HD21 0.0336 0.0090 0.0404 16 LEU 2 N 0.0166 0.0098 0.0216 17 LEU 2 CA 0.0189 0.0083 0.0125 18 LEU 2 C 0.0160 0.0081 0.0066 19 LEU 2 O 0.0177 0.0069 -0.0014 20 LEU 2 CB 0.0147 0.0086 0.0090 21 LEU 2 CG 0.0189 0.0082 0.0116 22 LEU 2 CD1 0.0122 0.0093 0.0109 23 LEU 2 CD2 0.0267 0.0062 0.0058 24 LEU 2 H 0.0110 0.0110 0.0239 25 LEU 2 HA 0.0260 0.0070 0.0121 26 LEU 2 HB3 0.0141 0.0079 0.0018 27 LEU 2 HB2 0.0078 0.0101 0.0108 28 LEU 2 HG 0.0212 0.0086 0.0185 29 LEU 2 HD11 0.0154 0.0090 0.0128 30 LEU 2 HD12 0.0068 0.0108 0.0153 31 LEU 2 HD13 0.0098 0.0089 0.0041 32 LEU 2 HD21 0.0296 0.0058 0.0077 33 LEU 2 HD22 0.0245 0.0057 -0.0011 34 LEU 2 HD23 0.0315 0.0054 0.0067 35 GLY 3 N 0.0043 0.0119 0.0047 36 GLY 3 CA 0.0030 0.0121 0.0030 37 GLY 3 C 0.0025 0.0121 0.0026 38 GLY 3 O 0.0029 0.0117 0.0038 39 GLY 3 H 0.0040 0.0113 0.0059 40 GLY 3 HA3 0.0017 0.0115 0.0031 41 GLY 3 HA2 0.0035 0.0128 0.0018 42 LEU 4 N 0.0018 0.0125 0.0009 43 LEU 4 CA 0.0013 0.0126 0.0002 44 LEU 4 C -0.0008 0.0119 -0.0002 45 LEU 4 O -0.0018 0.0118 -0.0011 46 LEU 4 CB 0.0023 0.0137 -0.0015 47 LEU 4 CG 0.0023 0.0140 -0.0022 48 LEU 4 CD1 0.0034 0.0138 -0.0007 49 LEU 4 CD2 0.0032 0.0151 -0.0039 50 LEU 4 H 0.0016 0.0128 -0.0001 51 LEU 4 HA 0.0019 0.0123 0.0013 52 LEU 4 HB3 0.0016 0.0139 -0.0026 53 LEU 4 HB2 0.0037 0.0142 -0.0013 54 LEU 4 HG 0.0009 0.0135 -0.0025 55 LEU 4 HD11 0.0035 0.0140 -0.0012 56 LEU 4 HD12 0.0028 0.0130 0.0006 57 LEU 4 HD13 0.0049 0.0143 -0.0003 58 LEU 4 HD21 0.0033 0.0153 -0.0045 59 LEU 4 HD22 0.0047 0.0155 -0.0036 60 LEU 4 HD23 0.0024 0.0152 -0.0050 61 ASP 5 N -0.0010 0.0081 0.0006 62 ASP 5 CA -0.0031 0.0074 0.0003 63 ASP 5 C -0.0040 0.0079 -0.0009 64 ASP 5 O -0.0034 0.0080 -0.0006 65 ASP 5 CB -0.0037 0.0059 0.0020 66 ASP 5 CG -0.0035 0.0054 0.0029 67 ASP 5 OD1 -0.0032 0.0061 0.0021 68 ASP 5 OD2 -0.0036 0.0042 0.0044 69 ASP 5 H -0.0003 0.0079 0.0013 70 ASP 5 HA -0.0036 0.0077 -0.0003 71 ASP 5 HB3 -0.0053 0.0055 0.0017 72 ASP 5 HB2 -0.0030 0.0057 0.0028 73 CYS 6 N -0.0055 0.0081 -0.0021 74 CYS 6 CA -0.0066 0.0085 -0.0033 75 CYS 6 C -0.0087 0.0077 -0.0035 76 CYS 6 O -0.0094 0.0071 -0.0030 77 CYS 6 CB -0.0061 0.0099 -0.0050 78 CYS 6 SG -0.0037 0.0110 -0.0050 79 CYS 6 H -0.0060 0.0080 -0.0022 80 CYS 6 HA -0.0062 0.0083 -0.0028 81 CYS 6 HB3 -0.0069 0.0102 -0.0058 82 CYS 6 HB2 -0.0067 0.0101 -0.0056 83 ASP 7 N -0.0182 0.0010 -0.0023 84 ASP 7 CA -0.0249 0.0005 -0.0032 85 ASP 7 C -0.0293 0.0066 -0.0068 86 ASP 7 O -0.0270 0.0112 -0.0085 87 ASP 7 CB -0.0297 -0.0062 -0.0009 88 ASP 7 CG -0.0318 -0.0069 -0.0009 89 ASP 7 OD1 -0.0368 -0.0033 -0.0034 90 ASP 7 OD2 -0.0284 -0.0111 0.0016 91 ASP 7 H -0.0185 0.0014 -0.0026 92 ASP 7 HA -0.0232 0.0006 -0.0030 93 ASP 7 HB3 -0.0266 -0.0106 0.0017 94 ASP 7 HB2 -0.0348 -0.0063 -0.0017 95 GLU 8 N -0.0357 0.0067 -0.0080 96 GLU 8 CA -0.0404 0.0125 -0.0114 97 GLU 8 C -0.0431 0.0133 -0.0123 98 GLU 8 O -0.0442 0.0192 -0.0152 99 GLU 8 CB -0.0471 0.0120 -0.0123 100 GLU 8 CG -0.0510 0.0048 -0.0096 101 GLU 8 CD -0.0462 0.0000 -0.0066 102 GLU 8 OE1 -0.0430 0.0023 -0.0071 103 GLU 8 OE2 -0.0454 -0.0059 -0.0037 104 GLU 8 H -0.0374 0.0028 -0.0064 105 GLU 8 HA -0.0369 0.0172 -0.0130 106 GLU 8 HB3 -0.0454 0.0140 -0.0130 107 GLU 8 HB2 -0.0513 0.0155 -0.0147 108 GLU 8 HG3 -0.0563 0.0052 -0.0107 109 GLU 8 HG2 -0.0523 0.0025 -0.0088 110 HIS 9 N -0.0513 0.0041 -0.0084 111 HIS 9 CA -0.0517 0.0067 -0.0110 112 HIS 9 C -0.0405 0.0064 -0.0084 113 HIS 9 O -0.0390 0.0025 -0.0042 114 HIS 9 CB -0.0609 0.0022 -0.0085 115 HIS 9 CG -0.0717 0.0029 -0.0114 116 HIS 9 ND1 -0.0761 0.0095 -0.0188 117 HIS 9 CD2 -0.0798 -0.0027 -0.0075 118 HIS 9 CE1 -0.0860 0.0081 -0.0195 119 HIS 9 NE2 -0.0884 0.0007 -0.0127 120 HIS 9 H -0.0510 -0.0011 -0.0031 121 HIS 9 HA -0.0529 0.0126 -0.0172 122 HIS 9 HB3 -0.0605 0.0041 -0.0103 123 HIS 9 HB2 -0.0599 -0.0038 -0.0023 124 HIS 9 HD1 -0.0717 0.0144 -0.0228 125 HIS 9 HD2 -0.0786 -0.0086 -0.0013 126 HIS 9 HE1 -0.0905 0.0128 -0.0251 127 SER 10 N -0.0328 0.0106 -0.0110 128 SER 10 CA -0.0216 0.0121 -0.0102 129 SER 10 C -0.0191 0.0206 -0.0181 130 SER 10 O -0.0233 0.0251 -0.0235 131 SER 10 CB -0.0146 0.0097 -0.0064 132 SER 10 OG -0.0046 0.0145 -0.0091 133 SER 10 H -0.0345 0.0132 -0.0139 134 SER 10 HA -0.0202 0.0090 -0.0068 135 SER 10 HB3 -0.0185 0.0101 -0.0076 136 SER 10 HB2 -0.0133 0.0038 -0.0003 137 SER 10 HG -0.0004 0.0129 -0.0066 138 SER 11 N 0.0026 0.0130 -0.0238 139 SER 11 CA 0.0037 0.0143 -0.0263 140 SER 11 C 0.0045 0.0160 -0.0233 141 SER 11 O 0.0062 0.0185 -0.0246 142 SER 11 CB 0.0059 0.0170 -0.0296 143 SER 11 OG 0.0075 0.0199 -0.0274 144 SER 11 H 0.0036 0.0148 -0.0224 145 SER 11 HA 0.0024 0.0119 -0.0282 146 SER 11 HB3 0.0053 0.0156 -0.0321 147 SER 11 HB2 0.0068 0.0182 -0.0312 148 SER 11 HG 0.0080 0.0212 -0.0252 149 GLU 12 N 0.0032 0.0147 -0.0194 150 GLU 12 CA 0.0036 0.0161 -0.0160 151 GLU 12 C 0.0028 0.0145 -0.0171 152 GLU 12 O 0.0007 0.0111 -0.0173 153 GLU 12 CB 0.0023 0.0149 -0.0115 154 GLU 12 CG 0.0025 0.0159 -0.0078 155 GLU 12 CD 0.0051 0.0201 -0.0071 156 GLU 12 OE1 0.0062 0.0220 -0.0057 157 GLU 12 OE2 0.0060 0.0214 -0.0080 158 GLU 12 H 0.0018 0.0127 -0.0186 159 GLU 12 HA 0.0056 0.0191 -0.0159 160 GLU 12 HB3 0.0005 0.0119 -0.0117 161 GLU 12 HB2 0.0030 0.0161 -0.0107 162 GLU 12 HG3 0.0018 0.0146 -0.0085 163 GLU 12 HG2 0.0015 0.0148 -0.0048 164 SER 13 N 0.0024 0.0092 -0.0058 165 SER 13 CA 0.0022 0.0087 -0.0061 166 SER 13 C 0.0014 0.0088 -0.0069 167 SER 13 O 0.0012 0.0087 -0.0072 168 SER 13 CB 0.0024 0.0077 -0.0059 169 SER 13 OG 0.0021 0.0071 -0.0063 170 SER 13 H 0.0025 0.0089 -0.0057 171 SER 13 HA 0.0024 0.0090 -0.0059 172 SER 13 HB3 0.0030 0.0076 -0.0054 173 SER 13 HB2 0.0024 0.0073 -0.0061 174 SER 13 HG 0.0017 0.0072 -0.0068 175 ARG 14 N 0.0011 0.0089 -0.0072 176 ARG 14 CA 0.0004 0.0090 -0.0080 177 ARG 14 C 0.0001 0.0099 -0.0083 178 ARG 14 O 0.0004 0.0106 -0.0079 179 ARG 14 CB 0.0002 0.0088 -0.0083 180 ARG 14 CG 0.0005 0.0079 -0.0080 181 ARG 14 CD 0.0000 0.0073 -0.0087 182 ARG 14 NE 0.0003 0.0065 -0.0084 183 ARG 14 CZ 0.0005 0.0057 -0.0083 184 ARG 14 NH1 0.0004 0.0056 -0.0084 185 ARG 14 NH2 0.0008 0.0050 -0.0081 186 ARG 14 H 0.0014 0.0090 -0.0070 187 ARG 14 HA 0.0003 0.0084 -0.0082 188 ARG 14 HB3 -0.0003 0.0088 -0.0089 189 ARG 14 HB2 0.0003 0.0094 -0.0081 190 ARG 14 HG3 0.0009 0.0081 -0.0076 191 ARG 14 HG2 0.0008 0.0075 -0.0078 192 ARG 14 HD3 -0.0003 0.0071 -0.0090 193 ARG 14 HD2 -0.0003 0.0078 -0.0089 194 ARG 14 HE 0.0004 0.0066 -0.0083 195 ARG 14 HH12 0.0006 0.0049 -0.0083 196 ARG 14 HH11 0.0002 0.0061 -0.0086 197 ARG 14 HH22 0.0009 0.0044 -0.0080 198 ARG 14 HH21 0.0008 0.0051 -0.0080 199 CYS 15 N 0.0003 0.0085 -0.0063 200 CYS 15 CA -0.0005 0.0090 -0.0064 201 CYS 15 C -0.0005 0.0098 -0.0058 202 CYS 15 O -0.0004 0.0100 -0.0056 203 CYS 15 CB -0.0012 0.0088 -0.0069 204 CYS 15 SG -0.0022 0.0094 -0.0070 205 CYS 15 H 0.0003 0.0081 -0.0066 206 CYS 15 HA -0.0005 0.0089 -0.0064 207 CYS 15 HB3 -0.0011 0.0088 -0.0068 208 CYS 15 HB2 -0.0012 0.0082 -0.0073 209 CYS 16 N -0.0007 0.0103 -0.0056 210 CYS 16 CA -0.0006 0.0110 -0.0050 211 CYS 16 C -0.0011 0.0116 -0.0049 212 CYS 16 O -0.0014 0.0113 -0.0053 213 CYS 16 CB 0.0003 0.0110 -0.0046 214 CYS 16 SG 0.0006 0.0119 -0.0039 215 CYS 16 H -0.0008 0.0101 -0.0058 216 CYS 16 HA -0.0007 0.0113 -0.0049 217 CYS 16 HB3 0.0004 0.0109 -0.0046 218 CYS 16 HB2 0.0007 0.0106 -0.0047 219 ARG 17 N -0.0031 0.0134 -0.0027 220 ARG 17 CA -0.0038 0.0125 -0.0024 221 ARG 17 C -0.0052 0.0119 -0.0028 222 ARG 17 O -0.0054 0.0114 -0.0026 223 ARG 17 CB -0.0032 0.0115 -0.0014 224 ARG 17 CG -0.0038 0.0106 -0.0011 225 ARG 17 CD -0.0031 0.0096 -0.0001 226 ARG 17 NE -0.0032 0.0088 0.0004 227 ARG 17 CZ -0.0033 0.0077 0.0012 228 ARG 17 NH1 -0.0032 0.0071 0.0016 229 ARG 17 NH2 -0.0033 0.0070 0.0016 230 ARG 17 H -0.0026 0.0131 -0.0022 231 ARG 17 HA -0.0039 0.0129 -0.0028 232 ARG 17 HB3 -0.0032 0.0110 -0.0010 233 ARG 17 HB2 -0.0022 0.0119 -0.0011 234 ARG 17 HG3 -0.0038 0.0111 -0.0015 235 ARG 17 HG2 -0.0048 0.0102 -0.0014 236 ARG 17 HD3 -0.0021 0.0100 0.0002 237 ARG 17 HD2 -0.0036 0.0091 0.0001 238 ARG 17 HE -0.0033 0.0092 0.0001 239 ARG 17 HH12 -0.0033 0.0063 0.0022 240 ARG 17 HH11 -0.0032 0.0076 0.0013 241 ARG 17 HH22 -0.0034 0.0061 0.0022 242 ARG 17 HH21 -0.0034 0.0074 0.0013 243 TYR 18 N -0.0062 0.0119 -0.0033 244 TYR 18 CA -0.0075 0.0114 -0.0037 245 TYR 18 C -0.0081 0.0103 -0.0033 246 TYR 18 O -0.0076 0.0102 -0.0029 247 TYR 18 CB -0.0083 0.0124 -0.0048 248 TYR 18 CG -0.0079 0.0134 -0.0053 249 TYR 18 CD1 -0.0068 0.0144 -0.0054 250 TYR 18 CD2 -0.0086 0.0134 -0.0057 251 TYR 18 CE1 -0.0065 0.0153 -0.0059 252 TYR 18 CE2 -0.0083 0.0143 -0.0062 253 TYR 18 CZ -0.0073 0.0153 -0.0063 254 TYR 18 OH -0.0069 0.0162 -0.0067 255 TYR 18 H -0.0059 0.0123 -0.0035 256 TYR 18 HA -0.0076 0.0111 -0.0036 257 TYR 18 HB3 -0.0093 0.0119 -0.0050 258 TYR 18 HB2 -0.0081 0.0127 -0.0049 259 TYR 18 HD1 -0.0063 0.0144 -0.0051 260 TYR 18 HD2 -0.0095 0.0126 -0.0056 261 TYR 18 HE1 -0.0057 0.0161 -0.0059 262 TYR 18 HE2 -0.0089 0.0143 -0.0065 263 TYR 18 HH -0.0062 0.0168 -0.0067 264 PRO 19 N -0.0080 0.0065 -0.0053 265 PRO 19 CA -0.0066 0.0059 -0.0059 266 PRO 19 C -0.0057 0.0067 -0.0049 267 PRO 19 O -0.0065 0.0075 -0.0041 268 PRO 19 CB -0.0076 0.0049 -0.0070 269 PRO 19 CG -0.0094 0.0055 -0.0066 270 PRO 19 CD -0.0098 0.0062 -0.0058 271 PRO 19 HA -0.0057 0.0055 -0.0063 272 PRO 19 HB3 -0.0076 0.0042 -0.0079 273 PRO 19 HB2 -0.0069 0.0048 -0.0071 274 PRO 19 HG3 -0.0103 0.0048 -0.0074 275 PRO 19 HG2 -0.0094 0.0060 -0.0059 276 PRO 19 HD2 -0.0105 0.0070 -0.0049 277 PRO 19 HD3 -0.0104 0.0057 -0.0064 278 LEU 20 N -0.0040 0.0064 -0.0051 279 LEU 20 CA -0.0029 0.0070 -0.0044 280 LEU 20 C -0.0013 0.0062 -0.0051 281 LEU 20 O -0.0002 0.0059 -0.0054 282 LEU 20 CB -0.0023 0.0081 -0.0030 283 LEU 20 CG -0.0011 0.0087 -0.0022 284 LEU 20 CD1 -0.0020 0.0091 -0.0019 285 LEU 20 CD2 -0.0002 0.0097 -0.0010 286 LEU 20 H -0.0033 0.0057 -0.0058 287 LEU 20 HA -0.0037 0.0071 -0.0042 288 LEU 20 HB3 -0.0017 0.0080 -0.0031 289 LEU 20 HB2 -0.0035 0.0087 -0.0024 290 LEU 20 HG -0.0000 0.0081 -0.0029 291 LEU 20 HD11 -0.0011 0.0095 -0.0013 292 LEU 20 HD12 -0.0025 0.0083 -0.0028 293 LEU 20 HD13 -0.0031 0.0097 -0.0013 294 LEU 20 HD21 0.0007 0.0101 -0.0005 295 LEU 20 HD22 -0.0012 0.0104 -0.0004 296 LEU 20 HD23 0.0005 0.0094 -0.0013 297 THR 21 N 0.0024 0.0092 -0.0048 298 THR 21 CA 0.0032 0.0086 -0.0050 299 THR 21 C 0.0039 0.0076 -0.0041 300 THR 21 O 0.0042 0.0072 -0.0039 301 THR 21 CB 0.0038 0.0085 -0.0064 302 THR 21 OG1 0.0032 0.0095 -0.0073 303 THR 21 CG2 0.0047 0.0078 -0.0066 304 THR 21 H 0.0026 0.0092 -0.0052 305 THR 21 HA 0.0028 0.0089 -0.0048 306 THR 21 HB 0.0042 0.0083 -0.0067 307 THR 21 HG1 0.0029 0.0097 -0.0071 308 THR 21 HG21 0.0051 0.0078 -0.0077 309 THR 21 HG22 0.0052 0.0071 -0.0060 310 THR 21 HG23 0.0043 0.0081 -0.0064 311 VAL 22 N 0.0040 0.0072 -0.0034 312 VAL 22 CA 0.0047 0.0062 -0.0025 313 VAL 22 C 0.0057 0.0056 -0.0033 314 VAL 22 O 0.0057 0.0058 -0.0038 315 VAL 22 CB 0.0043 0.0061 -0.0013 316 VAL 22 CG1 0.0051 0.0051 -0.0005 317 VAL 22 CG2 0.0034 0.0066 -0.0004 318 VAL 22 H 0.0036 0.0076 -0.0035 319 VAL 22 HA 0.0049 0.0059 -0.0023 320 VAL 22 HB 0.0039 0.0065 -0.0015 321 VAL 22 HG11 0.0047 0.0050 0.0004 322 VAL 22 HG12 0.0057 0.0047 -0.0012 323 VAL 22 HG13 0.0054 0.0046 -0.0003 324 VAL 22 HG21 0.0031 0.0065 0.0005 325 VAL 22 HG22 0.0037 0.0062 -0.0001 326 VAL 22 HG23 0.0028 0.0073 -0.0009 327 ASP 23 N 0.0074 0.0047 -0.0037 328 ASP 23 CA 0.0076 0.0037 -0.0040 329 ASP 23 C 0.0073 0.0023 -0.0033 330 ASP 23 O 0.0075 0.0014 -0.0036 331 ASP 23 CB 0.0083 0.0035 -0.0055 332 ASP 23 CG 0.0085 0.0026 -0.0060 333 ASP 23 OD1 0.0084 0.0013 -0.0056 334 ASP 23 OD2 0.0087 0.0032 -0.0066 335 ASP 23 H 0.0076 0.0045 -0.0041 336 ASP 23 HA 0.0074 0.0043 -0.0037 337 ASP 23 HB3 0.0084 0.0030 -0.0059 338 ASP 23 HB2 0.0085 0.0046 -0.0061 339 PHE 24 N 0.0069 0.0020 -0.0024 340 PHE 24 CA 0.0066 0.0007 -0.0015 341 PHE 24 C 0.0070 -0.0007 -0.0023 342 PHE 24 O 0.0069 -0.0018 -0.0020 343 PHE 24 CB 0.0061 0.0008 -0.0004 344 PHE 24 CG 0.0056 0.0020 0.0006 345 PHE 24 CD1 0.0054 0.0020 0.0012 346 PHE 24 CD2 0.0055 0.0030 0.0009 347 PHE 24 CE1 0.0049 0.0031 0.0021 348 PHE 24 CE2 0.0050 0.0041 0.0018 349 PHE 24 CZ 0.0048 0.0041 0.0024 350 PHE 24 H 0.0068 0.0027 -0.0022 351 PHE 24 HA 0.0064 0.0006 -0.0011 352 PHE 24 HB3 0.0059 -0.0003 0.0002 353 PHE 24 HB2 0.0062 0.0010 -0.0007 354 PHE 24 HD1 0.0055 0.0011 0.0010 355 PHE 24 HD2 0.0056 0.0031 0.0005 356 PHE 24 HE1 0.0047 0.0031 0.0026 357 PHE 24 HE2 0.0049 0.0050 0.0020 358 PHE 24 HZ 0.0044 0.0050 0.0031 359 GLU 25 N 0.0074 -0.0005 -0.0032 360 GLU 25 CA 0.0078 -0.0019 -0.0042 361 GLU 25 C 0.0083 -0.0023 -0.0052 362 GLU 25 O 0.0083 -0.0037 -0.0055 363 GLU 25 CB 0.0082 -0.0018 -0.0051 364 GLU 25 CG 0.0079 -0.0009 -0.0043 365 GLU 25 CD 0.0084 -0.0008 -0.0054 366 GLU 25 OE1 0.0089 0.0000 -0.0065 367 GLU 25 OE2 0.0082 -0.0017 -0.0051 368 GLU 25 H 0.0075 0.0005 -0.0034 369 GLU 25 HA 0.0074 -0.0030 -0.0034 370 GLU 25 HB3 0.0083 -0.0029 -0.0054 371 GLU 25 HB2 0.0087 -0.0012 -0.0061 372 GLU 25 HG3 0.0078 0.0003 -0.0040 373 GLU 25 HG2 0.0074 -0.0016 -0.0034 374 ALA 26 N 0.0086 -0.0010 -0.0058 375 ALA 26 CA 0.0090 -0.0012 -0.0068 376 ALA 26 C 0.0086 -0.0019 -0.0060 377 ALA 26 O 0.0089 -0.0023 -0.0067 378 ALA 26 CB 0.0094 0.0004 -0.0075 379 ALA 26 H 0.0085 0.0001 -0.0055 380 ALA 26 HA 0.0094 -0.0021 -0.0076 381 ALA 26 HB1 0.0098 0.0002 -0.0082 382 ALA 26 HB2 0.0097 0.0008 -0.0081 383 ALA 26 HB3 0.0091 0.0012 -0.0066 384 PHE 27 N 0.0085 -0.0018 -0.0039 385 PHE 27 CA 0.0081 -0.0027 -0.0028 386 PHE 27 C 0.0083 -0.0041 -0.0025 387 PHE 27 O 0.0082 -0.0052 -0.0019 388 PHE 27 CB 0.0072 -0.0019 -0.0016 389 PHE 27 CG 0.0068 -0.0005 -0.0018 390 PHE 27 CD1 0.0074 0.0000 -0.0029 391 PHE 27 CD2 0.0060 0.0004 -0.0008 392 PHE 27 CE1 0.0071 0.0013 -0.0030 393 PHE 27 CE2 0.0057 0.0017 -0.0009 394 PHE 27 CZ 0.0063 0.0022 -0.0020 395 PHE 27 H 0.0082 -0.0013 -0.0037 396 PHE 27 HA 0.0083 -0.0028 -0.0031 397 PHE 27 HB3 0.0069 -0.0026 -0.0008 398 PHE 27 HB2 0.0069 -0.0017 -0.0013 399 PHE 27 HD1 0.0080 -0.0006 -0.0037 400 PHE 27 HD2 0.0056 0.0000 0.0001 401 PHE 27 HE1 0.0075 0.0017 -0.0039 402 PHE 27 HE2 0.0051 0.0023 -0.0001 403 PHE 27 HZ 0.0060 0.0032 -0.0021 404 GLY 28 N 0.0086 -0.0042 -0.0030 405 GLY 28 CA 0.0089 -0.0056 -0.0028 406 GLY 28 C 0.0083 -0.0057 -0.0017 407 GLY 28 O 0.0084 -0.0069 -0.0014 408 GLY 28 H 0.0087 -0.0033 -0.0035 409 GLY 28 HA3 0.0091 -0.0065 -0.0027 410 GLY 28 HA2 0.0095 -0.0057 -0.0037 411 TRP 29 N 0.0052 -0.0036 -0.0003 412 TRP 29 CA 0.0041 -0.0035 0.0009 413 TRP 29 C 0.0037 -0.0031 0.0015 414 TRP 29 O 0.0039 -0.0019 0.0020 415 TRP 29 CB 0.0040 -0.0025 0.0015 416 TRP 29 CG 0.0044 -0.0029 0.0009 417 TRP 29 CD1 0.0047 -0.0040 0.0000 418 TRP 29 CD2 0.0044 -0.0022 0.0013 419 TRP 29 NE1 0.0049 -0.0040 -0.0002 420 TRP 29 CE2 0.0048 -0.0029 0.0005 421 TRP 29 CE3 0.0042 -0.0010 0.0021 422 TRP 29 CZ2 0.0049 -0.0024 0.0006 423 TRP 29 CZ3 0.0044 -0.0005 0.0022 424 TRP 29 CH2 0.0047 -0.0012 0.0015 425 TRP 29 H 0.0058 -0.0028 -0.0005 426 TRP 29 HA 0.0036 -0.0046 0.0009 427 TRP 29 HB3 0.0032 -0.0025 0.0023 428 TRP 29 HB2 0.0045 -0.0015 0.0015 429 TRP 29 HD1 0.0047 -0.0048 -0.0004 430 TRP 29 HE1 0.0052 -0.0048 -0.0009 431 TRP 29 HE3 0.0039 -0.0004 0.0027 432 TRP 29 HZ2 0.0052 -0.0030 0.0000 433 TRP 29 HZ3 0.0042 0.0004 0.0029 434 TRP 29 HH2 0.0048 -0.0008 0.0016 435 ASP 30 N 0.0032 -0.0041 0.0015 436 ASP 30 CA 0.0029 -0.0038 0.0020 437 ASP 30 C 0.0018 -0.0034 0.0033 438 ASP 30 O 0.0015 -0.0029 0.0039 439 ASP 30 CB 0.0026 -0.0051 0.0016 440 ASP 30 CG 0.0017 -0.0063 0.0019 441 ASP 30 OD1 0.0017 -0.0066 0.0017 442 ASP 30 OD2 0.0010 -0.0070 0.0023 443 ASP 30 H 0.0031 -0.0051 0.0011 444 ASP 30 HA 0.0035 -0.0030 0.0018 445 ASP 30 HB3 0.0034 -0.0053 0.0007 446 ASP 30 HB2 0.0024 -0.0048 0.0019 447 TRP 31 N 0.0001 -0.0020 0.0029 448 TRP 31 CA -0.0002 -0.0019 0.0036 449 TRP 31 C 0.0005 -0.0014 0.0043 450 TRP 31 O 0.0004 -0.0012 0.0051 451 TRP 31 CB -0.0003 -0.0021 0.0032 452 TRP 31 CG 0.0005 -0.0019 0.0025 453 TRP 31 CD1 0.0006 -0.0020 0.0015 454 TRP 31 CD2 0.0012 -0.0014 0.0027 455 TRP 31 NE1 0.0014 -0.0017 0.0011 456 TRP 31 CE2 0.0018 -0.0014 0.0018 457 TRP 31 CE3 0.0015 -0.0011 0.0035 458 TRP 31 CZ2 0.0026 -0.0010 0.0018 459 TRP 31 CZ3 0.0022 -0.0007 0.0035 460 TRP 31 CH2 0.0028 -0.0007 0.0026 461 TRP 31 H 0.0003 -0.0020 0.0022 462 TRP 31 HA -0.0008 -0.0021 0.0040 463 TRP 31 HB3 -0.0009 -0.0025 0.0028 464 TRP 31 HB2 -0.0004 -0.0020 0.0037 465 TRP 31 HD1 0.0001 -0.0024 0.0012 466 TRP 31 HE1 0.0016 -0.0018 0.0004 467 TRP 31 HE3 0.0011 -0.0011 0.0042 468 TRP 31 HZ2 0.0030 -0.0010 0.0011 469 TRP 31 HZ3 0.0025 -0.0005 0.0041 470 TRP 31 HH2 0.0034 -0.0004 0.0026 471 ILE 32 N 0.0013 -0.0011 0.0041 472 ILE 32 CA 0.0019 -0.0006 0.0048 473 ILE 32 C 0.0017 -0.0005 0.0053 474 ILE 32 O 0.0018 -0.0006 0.0049 475 ILE 32 CB 0.0029 -0.0002 0.0043 476 ILE 32 CG1 0.0031 -0.0001 0.0041 477 ILE 32 CG2 0.0035 0.0003 0.0050 478 ILE 32 CD1 0.0039 0.0001 0.0033 479 ILE 32 H 0.0014 -0.0012 0.0034 480 ILE 32 HA 0.0018 -0.0005 0.0053 481 ILE 32 HB 0.0029 -0.0003 0.0037 482 ILE 32 HG13 0.0026 -0.0005 0.0038 483 ILE 32 HG12 0.0033 0.0001 0.0047 484 ILE 32 HG21 0.0041 0.0006 0.0047 485 ILE 32 HG22 0.0033 0.0002 0.0052 486 ILE 32 HG23 0.0034 0.0004 0.0057 487 ILE 32 HD11 0.0040 0.0001 0.0032 488 ILE 32 HD12 0.0037 -0.0002 0.0027 489 ILE 32 HD13 0.0045 0.0004 0.0036 490 ILE 33 N -0.0003 -0.0019 0.0064 491 ILE 33 CA -0.0010 -0.0026 0.0072 492 ILE 33 C 0.0002 -0.0017 0.0075 493 ILE 33 O -0.0001 -0.0018 0.0070 494 ILE 33 CB -0.0016 -0.0034 0.0092 495 ILE 33 CG1 -0.0029 -0.0043 0.0089 496 ILE 33 CG2 -0.0022 -0.0040 0.0102 497 ILE 33 CD1 -0.0032 -0.0050 0.0107 498 ILE 33 H 0.0001 -0.0017 0.0073 499 ILE 33 HA -0.0020 -0.0032 0.0062 500 ILE 33 HB -0.0006 -0.0028 0.0102 501 ILE 33 HG13 -0.0025 -0.0039 0.0078 502 ILE 33 HG12 -0.0039 -0.0051 0.0082 503 ILE 33 HG21 -0.0026 -0.0046 0.0115 504 ILE 33 HG22 -0.0013 -0.0033 0.0104 505 ILE 33 HG23 -0.0032 -0.0046 0.0092 506 ILE 33 HD11 -0.0041 -0.0056 0.0104 507 ILE 33 HD12 -0.0022 -0.0043 0.0114 508 ILE 33 HD13 -0.0036 -0.0055 0.0118 509 ALA 34 N 0.0016 -0.0007 0.0084 510 ALA 34 CA 0.0029 0.0002 0.0088 511 ALA 34 C 0.0045 0.0014 0.0089 512 ALA 34 O 0.0046 0.0014 0.0096 513 ALA 34 CB 0.0028 -0.0002 0.0106 514 ALA 34 H 0.0019 -0.0006 0.0088 515 ALA 34 HA 0.0029 0.0004 0.0075 516 ALA 34 HB1 0.0037 0.0005 0.0109 517 ALA 34 HB2 0.0016 -0.0011 0.0105 518 ALA 34 HB3 0.0028 -0.0004 0.0119 519 PRO 35 N 0.0042 0.0036 0.0042 520 PRO 35 CA 0.0050 0.0040 0.0029 521 PRO 35 C 0.0052 0.0030 0.0016 522 PRO 35 O 0.0049 0.0022 0.0017 523 PRO 35 CB 0.0056 0.0056 0.0028 524 PRO 35 CG 0.0053 0.0057 0.0036 525 PRO 35 CD 0.0044 0.0047 0.0047 526 PRO 35 HA 0.0049 0.0039 0.0029 527 PRO 35 HB3 0.0056 0.0063 0.0035 528 PRO 35 HB2 0.0062 0.0057 0.0017 529 PRO 35 HG3 0.0055 0.0068 0.0041 530 PRO 35 HG2 0.0055 0.0053 0.0028 531 PRO 35 HD2 0.0041 0.0042 0.0048 532 PRO 35 HD3 0.0042 0.0054 0.0057 533 LYS 36 N 0.0057 0.0029 0.0004 534 LYS 36 CA 0.0060 0.0020 -0.0009 535 LYS 36 C 0.0066 0.0028 -0.0016 536 LYS 36 O 0.0068 0.0021 -0.0024 537 LYS 36 CB 0.0064 0.0017 -0.0020 538 LYS 36 CG 0.0058 0.0009 -0.0014 539 LYS 36 CD 0.0051 -0.0007 -0.0013 540 LYS 36 CE 0.0045 -0.0015 -0.0007 541 LYS 36 NZ 0.0038 -0.0029 -0.0002 542 LYS 36 H 0.0060 0.0035 0.0004 543 LYS 36 HA 0.0055 0.0010 -0.0007 544 LYS 36 HB3 0.0066 0.0010 -0.0030 545 LYS 36 HB2 0.0069 0.0027 -0.0023 546 LYS 36 HG3 0.0061 0.0009 -0.0021 547 LYS 36 HG2 0.0055 0.0014 -0.0003 548 LYS 36 HD3 0.0048 -0.0007 -0.0006 549 LYS 36 HD2 0.0054 -0.0013 -0.0023 550 LYS 36 HE3 0.0048 -0.0019 -0.0015 551 LYS 36 HE2 0.0044 -0.0008 0.0002 552 LYS 36 HZ1 0.0035 -0.0026 0.0006 553 LYS 36 HZ2 0.0034 -0.0034 0.0002 554 LYS 36 HZ3 0.0039 -0.0035 -0.0010 555 ARG 37 N 0.0071 0.0052 -0.0038 556 ARG 37 CA 0.0068 0.0058 -0.0037 557 ARG 37 C 0.0059 0.0070 -0.0035 558 ARG 37 O 0.0058 0.0074 -0.0036 559 ARG 37 CB 0.0073 0.0060 -0.0049 560 ARG 37 CG 0.0073 0.0071 -0.0059 561 ARG 37 CD 0.0079 0.0072 -0.0070 562 ARG 37 NE 0.0087 0.0060 -0.0072 563 ARG 37 CZ 0.0093 0.0054 -0.0077 564 ARG 37 NH1 0.0093 0.0059 -0.0080 565 ARG 37 NH2 0.0100 0.0044 -0.0079 566 ARG 37 H 0.0070 0.0057 -0.0040 567 ARG 37 HA 0.0066 0.0053 -0.0030 568 ARG 37 HB3 0.0080 0.0052 -0.0052 569 ARG 37 HB2 0.0072 0.0061 -0.0047 570 ARG 37 HG3 0.0067 0.0079 -0.0056 571 ARG 37 HG2 0.0075 0.0069 -0.0061 572 ARG 37 HD3 0.0076 0.0076 -0.0068 573 ARG 37 HD2 0.0080 0.0078 -0.0077 574 ARG 37 HE 0.0088 0.0057 -0.0070 575 ARG 37 HH12 0.0097 0.0054 -0.0083 576 ARG 37 HH11 0.0087 0.0067 -0.0078 577 ARG 37 HH22 0.0105 0.0039 -0.0082 578 ARG 37 HH21 0.0101 0.0040 -0.0076 579 TYR 38 N 0.0054 0.0076 -0.0031 580 TYR 38 CA 0.0046 0.0087 -0.0028 581 TYR 38 C 0.0042 0.0093 -0.0028 582 TYR 38 O 0.0045 0.0088 -0.0027 583 TYR 38 CB 0.0040 0.0085 -0.0017 584 TYR 38 CG 0.0035 0.0082 -0.0006 585 TYR 38 CD1 0.0039 0.0070 -0.0002 586 TYR 38 CD2 0.0027 0.0090 0.0000 587 TYR 38 CE1 0.0035 0.0066 0.0009 588 TYR 38 CE2 0.0023 0.0087 0.0011 589 TYR 38 CZ 0.0027 0.0075 0.0015 590 TYR 38 OH 0.0023 0.0072 0.0024 591 TYR 38 H 0.0056 0.0072 -0.0031 592 TYR 38 HA 0.0047 0.0093 -0.0035 593 TYR 38 HB3 0.0043 0.0079 -0.0016 594 TYR 38 HB2 0.0035 0.0093 -0.0017 595 TYR 38 HD1 0.0046 0.0063 -0.0006 596 TYR 38 HD2 0.0023 0.0099 -0.0003 597 TYR 38 HE1 0.0039 0.0057 0.0012 598 TYR 38 HE2 0.0016 0.0093 0.0015 599 TYR 38 HH 0.0017 0.0078 0.0028 600 LYS 39 N 0.0016 0.0084 -0.0049 601 LYS 39 CA 0.0007 0.0092 -0.0045 602 LYS 39 C 0.0002 0.0093 -0.0030 603 LYS 39 O -0.0003 0.0097 -0.0027 604 LYS 39 CB -0.0002 0.0100 -0.0056 605 LYS 39 CG 0.0002 0.0100 -0.0071 606 LYS 39 CD -0.0006 0.0108 -0.0081 607 LYS 39 CE -0.0002 0.0107 -0.0091 608 LYS 39 NZ -0.0002 0.0105 -0.0084 609 LYS 39 H 0.0016 0.0085 -0.0053 610 LYS 39 HA 0.0009 0.0090 -0.0046 611 LYS 39 HB3 -0.0009 0.0106 -0.0052 612 LYS 39 HB2 -0.0003 0.0102 -0.0056 613 LYS 39 HG3 0.0010 0.0094 -0.0074 614 LYS 39 HG2 0.0004 0.0098 -0.0071 615 LYS 39 HD3 -0.0008 0.0111 -0.0087 616 LYS 39 HD2 -0.0014 0.0114 -0.0075 617 LYS 39 HE3 0.0005 0.0101 -0.0096 618 LYS 39 HE2 -0.0008 0.0113 -0.0099 619 LYS 39 HZ1 0.0002 0.0100 -0.0075 620 LYS 39 HZ2 -0.0009 0.0111 -0.0081 621 LYS 39 HZ3 0.0002 0.0103 -0.0090 622 ALA 40 N 0.0003 0.0091 -0.0021 623 ALA 40 CA -0.0001 0.0092 -0.0006 624 ALA 40 C -0.0013 0.0101 -0.0003 625 ALA 40 O -0.0019 0.0105 0.0006 626 ALA 40 CB 0.0006 0.0084 0.0003 627 ALA 40 H 0.0007 0.0088 -0.0024 628 ALA 40 HA -0.0001 0.0092 -0.0004 629 ALA 40 HB1 0.0003 0.0085 0.0014 630 ALA 40 HB2 0.0014 0.0077 0.0001 631 ALA 40 HB3 0.0007 0.0084 0.0000 632 ASN 41 N -0.0029 0.0082 -0.0018 633 ASN 41 CA -0.0033 0.0092 -0.0018 634 ASN 41 C -0.0031 0.0103 -0.0013 635 ASN 41 O -0.0024 0.0102 -0.0008 636 ASN 41 CB -0.0031 0.0092 -0.0017 637 ASN 41 CG -0.0033 0.0081 -0.0021 638 ASN 41 OD1 -0.0040 0.0078 -0.0028 639 ASN 41 ND2 -0.0025 0.0075 -0.0017 640 ASN 41 H -0.0033 0.0077 -0.0022 641 ASN 41 HA -0.0041 0.0093 -0.0024 642 ASN 41 HB3 -0.0035 0.0100 -0.0018 643 ASN 41 HB2 -0.0024 0.0093 -0.0010 644 ASN 41 HD22 -0.0026 0.0067 -0.0019 645 ASN 41 HD21 -0.0019 0.0077 -0.0011 646 TYR 42 N -0.0035 0.0113 -0.0014 647 TYR 42 CA -0.0033 0.0124 -0.0009 648 TYR 42 C -0.0036 0.0134 -0.0009 649 TYR 42 O -0.0042 0.0133 -0.0014 650 TYR 42 CB -0.0036 0.0127 -0.0012 651 TYR 42 CG -0.0047 0.0130 -0.0019 652 TYR 42 CD1 -0.0052 0.0121 -0.0026 653 TYR 42 CD2 -0.0051 0.0141 -0.0020 654 TYR 42 CE1 -0.0062 0.0124 -0.0033 655 TYR 42 CE2 -0.0061 0.0144 -0.0027 656 TYR 42 CZ -0.0066 0.0135 -0.0034 657 TYR 42 OH -0.0076 0.0138 -0.0041 658 TYR 42 H -0.0040 0.0114 -0.0018 659 TYR 42 HA -0.0025 0.0123 -0.0003 660 TYR 42 HB3 -0.0034 0.0119 -0.0012 661 TYR 42 HB2 -0.0033 0.0134 -0.0007 662 TYR 42 HD1 -0.0049 0.0112 -0.0026 663 TYR 42 HD2 -0.0047 0.0148 -0.0015 664 TYR 42 HE1 -0.0066 0.0117 -0.0038 665 TYR 42 HE2 -0.0064 0.0153 -0.0027 666 TYR 42 HH -0.0077 0.0145 -0.0040 667 CYS 43 N -0.0024 0.0109 -0.0027 668 CYS 43 CA -0.0017 0.0116 -0.0029 669 CYS 43 C -0.0024 0.0127 -0.0037 670 CYS 43 O -0.0028 0.0134 -0.0042 671 CYS 43 CB -0.0002 0.0120 -0.0027 672 CYS 43 SG 0.0007 0.0108 -0.0018 673 CYS 43 H -0.0022 0.0112 -0.0028 674 CYS 43 HA -0.0017 0.0109 -0.0025 675 CYS 43 HB3 0.0003 0.0125 -0.0028 676 CYS 43 HB2 -0.0002 0.0127 -0.0030 677 SER 44 N -0.0025 0.0129 -0.0038 678 SER 44 CA -0.0030 0.0140 -0.0045 679 SER 44 C -0.0025 0.0142 -0.0045 680 SER 44 O -0.0024 0.0134 -0.0040 681 SER 44 CB -0.0046 0.0137 -0.0048 682 SER 44 OG -0.0052 0.0147 -0.0055 683 SER 44 H -0.0021 0.0123 -0.0034 684 SER 44 HA -0.0027 0.0148 -0.0049 685 SER 44 HB3 -0.0050 0.0129 -0.0045 686 SER 44 HB2 -0.0050 0.0136 -0.0049 687 SER 44 HG -0.0054 0.0153 -0.0059 688 GLY 45 N -0.0001 0.0092 -0.0059 689 GLY 45 CA 0.0003 0.0081 -0.0058 690 GLY 45 C -0.0005 0.0065 -0.0065 691 GLY 45 O -0.0014 0.0064 -0.0072 692 GLY 45 H -0.0003 0.0087 -0.0062 693 GLY 45 HA3 0.0001 0.0087 -0.0058 694 GLY 45 HA2 0.0013 0.0078 -0.0050 695 GLN 46 N -0.0000 0.0053 -0.0062 696 GLN 46 CA -0.0006 0.0037 -0.0068 697 GLN 46 C -0.0019 0.0038 -0.0078 698 GLN 46 O -0.0021 0.0047 -0.0078 699 GLN 46 CB 0.0004 0.0024 -0.0062 700 GLN 46 CG 0.0017 0.0023 -0.0053 701 GLN 46 CD 0.0015 0.0018 -0.0054 702 GLN 46 OE1 0.0010 0.0005 -0.0059 703 GLN 46 NE2 0.0019 0.0029 -0.0050 704 GLN 46 H 0.0007 0.0055 -0.0057 705 GLN 46 HA -0.0008 0.0034 -0.0070 706 GLN 46 HB3 -0.0001 0.0012 -0.0067 707 GLN 46 HB2 0.0005 0.0027 -0.0061 708 GLN 46 HG3 0.0023 0.0013 -0.0049 709 GLN 46 HG2 0.0022 0.0034 -0.0048 710 GLN 46 HE22 0.0018 0.0027 -0.0051 711 GLN 46 HE21 0.0023 0.0039 -0.0046 712 CYS 47 N -0.0018 0.0000 -0.0055 713 CYS 47 CA -0.0033 0.0001 -0.0061 714 CYS 47 C -0.0040 -0.0012 -0.0056 715 CYS 47 O -0.0044 -0.0022 -0.0052 716 CYS 47 CB -0.0038 0.0003 -0.0064 717 CYS 47 SG -0.0033 0.0020 -0.0071 718 CYS 47 H -0.0014 -0.0007 -0.0050 719 CYS 47 HA -0.0035 0.0009 -0.0066 720 CYS 47 HB3 -0.0050 0.0001 -0.0067 721 CYS 47 HB2 -0.0035 -0.0004 -0.0059 722 GLU 48 N -0.0042 -0.0013 -0.0057 723 GLU 48 CA -0.0049 -0.0024 -0.0052 724 GLU 48 C -0.0063 -0.0022 -0.0058 725 GLU 48 O -0.0065 -0.0011 -0.0065 726 GLU 48 CB -0.0039 -0.0028 -0.0047 727 GLU 48 CG -0.0026 -0.0033 -0.0040 728 GLU 48 CD -0.0015 -0.0031 -0.0037 729 GLU 48 OE1 -0.0018 -0.0028 -0.0040 730 GLU 48 OE2 -0.0002 -0.0033 -0.0032 731 GLU 48 H -0.0038 -0.0005 -0.0060 732 GLU 48 HA -0.0050 -0.0032 -0.0049 733 GLU 48 HB3 -0.0046 -0.0036 -0.0045 734 GLU 48 HB2 -0.0036 -0.0020 -0.0051 735 GLU 48 HG3 -0.0022 -0.0029 -0.0041 736 GLU 48 HG2 -0.0029 -0.0044 -0.0035 737 TYR 49 N -0.0084 -0.0062 -0.0038 738 TYR 49 CA -0.0106 -0.0064 -0.0048 739 TYR 49 C -0.0108 -0.0055 -0.0065 740 TYR 49 O -0.0102 -0.0054 -0.0062 741 TYR 49 CB -0.0111 -0.0062 -0.0055 742 TYR 49 CG -0.0134 -0.0066 -0.0064 743 TYR 49 CD1 -0.0150 -0.0078 -0.0053 744 TYR 49 CD2 -0.0140 -0.0057 -0.0082 745 TYR 49 CE1 -0.0170 -0.0082 -0.0061 746 TYR 49 CE2 -0.0160 -0.0060 -0.0090 747 TYR 49 CZ -0.0176 -0.0073 -0.0079 748 TYR 49 OH -0.0196 -0.0076 -0.0087 749 TYR 49 H -0.0082 -0.0069 -0.0023 750 TYR 49 HA -0.0116 -0.0074 -0.0038 751 TYR 49 HB3 -0.0102 -0.0052 -0.0065 752 TYR 49 HB2 -0.0106 -0.0067 -0.0043 753 TYR 49 HD1 -0.0146 -0.0085 -0.0039 754 TYR 49 HD2 -0.0128 -0.0047 -0.0091 755 TYR 49 HE1 -0.0182 -0.0091 -0.0052 756 TYR 49 HE2 -0.0165 -0.0054 -0.0104 757 TYR 49 HH -0.0205 -0.0085 -0.0077 758 MET 50 N -0.0117 -0.0048 -0.0082 759 MET 50 CA -0.0120 -0.0039 -0.0099 760 MET 50 C -0.0107 -0.0026 -0.0114 761 MET 50 O -0.0110 -0.0017 -0.0130 762 MET 50 CB -0.0143 -0.0043 -0.0109 763 MET 50 CG -0.0158 -0.0056 -0.0095 764 MET 50 SD -0.0185 -0.0060 -0.0107 765 MET 50 CE -0.0185 -0.0050 -0.0125 766 MET 50 H -0.0121 -0.0049 -0.0084 767 MET 50 HA -0.0116 -0.0040 -0.0095 768 MET 50 HB3 -0.0146 -0.0036 -0.0121 769 MET 50 HB2 -0.0147 -0.0041 -0.0115 770 MET 50 HG3 -0.0155 -0.0063 -0.0083 771 MET 50 HG2 -0.0155 -0.0058 -0.0090 772 MET 50 HE1 -0.0201 -0.0051 -0.0133 773 MET 50 HE2 -0.0174 -0.0040 -0.0134 774 MET 50 HE3 -0.0181 -0.0052 -0.0117 775 PHE 51 N -0.0068 0.0004 -0.0070 776 PHE 51 CA -0.0057 0.0019 -0.0078 777 PHE 51 C -0.0054 0.0025 -0.0082 778 PHE 51 O -0.0052 0.0015 -0.0076 779 PHE 51 CB -0.0037 0.0016 -0.0076 780 PHE 51 CG -0.0039 0.0012 -0.0073 781 PHE 51 CD1 -0.0050 0.0020 -0.0079 782 PHE 51 CD2 -0.0029 -0.0001 -0.0065 783 PHE 51 CE1 -0.0052 0.0016 -0.0076 784 PHE 51 CE2 -0.0030 -0.0005 -0.0063 785 PHE 51 CZ -0.0041 0.0003 -0.0068 786 PHE 51 H -0.0062 -0.0006 -0.0064 787 PHE 51 HA -0.0064 0.0028 -0.0084 788 PHE 51 HB3 -0.0029 0.0028 -0.0082 789 PHE 51 HB2 -0.0030 0.0007 -0.0070 790 PHE 51 HD1 -0.0058 0.0030 -0.0085 791 PHE 51 HD2 -0.0020 -0.0008 -0.0061 792 PHE 51 HE1 -0.0060 0.0023 -0.0081 793 PHE 51 HE2 -0.0022 -0.0015 -0.0057 794 PHE 51 HZ -0.0042 -0.0000 -0.0066 795 MET 52 N -0.0054 0.0041 -0.0091 796 MET 52 CA -0.0049 0.0049 -0.0095 797 MET 52 C -0.0061 0.0043 -0.0092 798 MET 52 O -0.0055 0.0043 -0.0092 799 MET 52 CB -0.0028 0.0047 -0.0092 800 MET 52 CG -0.0014 0.0049 -0.0093 801 MET 52 SD -0.0015 0.0070 -0.0105 802 MET 52 CE -0.0002 0.0080 -0.0110 803 MET 52 H -0.0058 0.0049 -0.0095 804 MET 52 HA -0.0051 0.0062 -0.0103 805 MET 52 HB3 -0.0024 0.0055 -0.0097 806 MET 52 HB2 -0.0027 0.0034 -0.0085 807 MET 52 HG3 -0.0000 0.0046 -0.0090 808 MET 52 HG2 -0.0018 0.0040 -0.0088 809 MET 52 HE1 -0.0001 0.0093 -0.0117 810 MET 52 HE2 0.0012 0.0075 -0.0106 811 MET 52 HE3 -0.0010 0.0078 -0.0109 812 GLN 53 N -0.0072 -0.0075 -0.0104 813 GLN 53 CA -0.0058 -0.0066 -0.0111 814 GLN 53 C -0.0048 -0.0076 -0.0126 815 GLN 53 O -0.0053 -0.0092 -0.0131 816 GLN 53 CB -0.0060 -0.0061 -0.0107 817 GLN 53 CG -0.0066 -0.0047 -0.0092 818 GLN 53 CD -0.0068 -0.0042 -0.0088 819 GLN 53 OE1 -0.0060 -0.0045 -0.0096 820 GLN 53 NE2 -0.0078 -0.0035 -0.0074 821 GLN 53 H -0.0080 -0.0084 -0.0104 822 GLN 53 HA -0.0053 -0.0054 -0.0109 823 GLN 53 HB3 -0.0049 -0.0057 -0.0114 824 GLN 53 HB2 -0.0067 -0.0072 -0.0107 825 GLN 53 HG3 -0.0076 -0.0051 -0.0085 826 GLN 53 HG2 -0.0058 -0.0036 -0.0092 827 GLN 53 HE22 -0.0079 -0.0032 -0.0071 828 GLN 53 HE21 -0.0083 -0.0033 -0.0068 829 LYS 54 N -0.0034 -0.0068 -0.0133 830 LYS 54 CA -0.0024 -0.0077 -0.0148 831 LYS 54 C -0.0014 -0.0075 -0.0155 832 LYS 54 O -0.0012 -0.0087 -0.0165 833 LYS 54 CB -0.0015 -0.0071 -0.0152 834 LYS 54 CG -0.0001 -0.0075 -0.0166 835 LYS 54 CD 0.0007 -0.0068 -0.0168 836 LYS 54 CE 0.0019 -0.0075 -0.0183 837 LYS 54 NZ 0.0029 -0.0064 -0.0185 838 LYS 54 H -0.0030 -0.0056 -0.0129 839 LYS 54 HA -0.0030 -0.0090 -0.0151 840 LYS 54 HB3 -0.0011 -0.0057 -0.0146 841 LYS 54 HB2 -0.0022 -0.0075 -0.0148 842 LYS 54 HG3 -0.0004 -0.0089 -0.0172 843 LYS 54 HG2 0.0007 -0.0071 -0.0170 844 LYS 54 HD3 0.0012 -0.0054 -0.0164 845 LYS 54 HD2 -0.0001 -0.0069 -0.0162 846 LYS 54 HE3 0.0013 -0.0087 -0.0186 847 LYS 54 HE2 0.0025 -0.0076 -0.0189 848 LYS 54 HZ1 0.0023 -0.0060 -0.0177 849 LYS 54 HZ2 0.0037 -0.0054 -0.0185 850 LYS 54 HZ3 0.0034 -0.0071 -0.0194 851 TYR 55 N -0.0048 -0.0138 -0.0124 852 TYR 55 CA -0.0038 -0.0133 -0.0123 853 TYR 55 C -0.0051 -0.0127 -0.0108 854 TYR 55 O -0.0060 -0.0119 -0.0094 855 TYR 55 CB -0.0017 -0.0122 -0.0119 856 TYR 55 CG -0.0002 -0.0128 -0.0135 857 TYR 55 CD1 -0.0000 -0.0141 -0.0152 858 TYR 55 CD2 0.0011 -0.0121 -0.0133 859 TYR 55 CE1 0.0014 -0.0147 -0.0166 860 TYR 55 CE2 0.0025 -0.0127 -0.0147 861 TYR 55 CZ 0.0026 -0.0140 -0.0163 862 TYR 55 OH 0.0040 -0.0146 -0.0178 863 TYR 55 H -0.0047 -0.0131 -0.0115 864 TYR 55 HA -0.0036 -0.0142 -0.0135 865 TYR 55 HB3 -0.0010 -0.0116 -0.0116 866 TYR 55 HB2 -0.0018 -0.0113 -0.0108 867 TYR 55 HD1 -0.0010 -0.0146 -0.0154 868 TYR 55 HD2 0.0010 -0.0112 -0.0120 869 TYR 55 HE1 0.0015 -0.0157 -0.0179 870 TYR 55 HE2 0.0035 -0.0122 -0.0145 871 TYR 55 HH 0.0042 -0.0153 -0.0187 872 PRO 56 N -0.0053 -0.0130 -0.0112 873 PRO 56 CA -0.0065 -0.0125 -0.0099 874 PRO 56 C -0.0058 -0.0109 -0.0082 875 PRO 56 O -0.0070 -0.0103 -0.0069 876 PRO 56 CB -0.0062 -0.0132 -0.0110 877 PRO 56 CG -0.0043 -0.0135 -0.0123 878 PRO 56 CD -0.0042 -0.0138 -0.0128 879 PRO 56 HA -0.0081 -0.0129 -0.0096 880 PRO 56 HB3 -0.0075 -0.0142 -0.0116 881 PRO 56 HB2 -0.0061 -0.0125 -0.0101 882 PRO 56 HG3 -0.0043 -0.0144 -0.0134 883 PRO 56 HG2 -0.0030 -0.0125 -0.0117 884 PRO 56 HD2 -0.0025 -0.0134 -0.0131 885 PRO 56 HD3 -0.0050 -0.0150 -0.0138 886 HIS 57 N -0.0036 -0.0100 -0.0077 887 HIS 57 CA -0.0026 -0.0090 -0.0059 888 HIS 57 C -0.0038 -0.0083 -0.0053 889 HIS 57 O -0.0040 -0.0071 -0.0037 890 HIS 57 CB -0.0002 -0.0096 -0.0059 891 HIS 57 CG 0.0009 -0.0086 -0.0041 892 HIS 57 ND1 0.0009 -0.0082 -0.0035 893 HIS 57 CD2 0.0019 -0.0079 -0.0026 894 HIS 57 CE1 0.0019 -0.0073 -0.0019 895 HIS 57 NE2 0.0026 -0.0071 -0.0013 896 HIS 57 H -0.0026 -0.0109 -0.0087 897 HIS 57 HA -0.0028 -0.0083 -0.0049 898 HIS 57 HB3 -0.0000 -0.0103 -0.0069 899 HIS 57 HB2 0.0006 -0.0101 -0.0063 900 HIS 57 HD2 0.0021 -0.0079 -0.0027 901 HIS 57 HE1 0.0021 -0.0069 -0.0012 902 HIS 57 HE2 0.0034 -0.0065 -0.0001 903 THR 58 N -0.0044 -0.0090 -0.0066 904 THR 58 CA -0.0056 -0.0085 -0.0063 905 THR 58 C -0.0076 -0.0074 -0.0055 906 THR 58 O -0.0080 -0.0063 -0.0041 907 THR 58 CB -0.0063 -0.0096 -0.0081 908 THR 58 OG1 -0.0044 -0.0106 -0.0089 909 THR 58 CG2 -0.0074 -0.0091 -0.0078 910 THR 58 H -0.0041 -0.0100 -0.0079 911 THR 58 HA -0.0045 -0.0081 -0.0054 912 THR 58 HB -0.0073 -0.0100 -0.0090 913 THR 58 HG1 -0.0038 -0.0105 -0.0085 914 THR 58 HG21 -0.0079 -0.0098 -0.0091 915 THR 58 HG22 -0.0089 -0.0083 -0.0072 916 THR 58 HG23 -0.0063 -0.0087 -0.0068 917 HIS 59 N -0.0099 -0.0089 -0.0071 918 HIS 59 CA -0.0120 -0.0077 -0.0064 919 HIS 59 C -0.0114 -0.0063 -0.0043 920 HIS 59 O -0.0127 -0.0050 -0.0031 921 HIS 59 CB -0.0133 -0.0084 -0.0077 922 HIS 59 CG -0.0154 -0.0072 -0.0070 923 HIS 59 ND1 -0.0158 -0.0065 -0.0063 924 HIS 59 CD2 -0.0174 -0.0066 -0.0071 925 HIS 59 CE1 -0.0181 -0.0055 -0.0059 926 HIS 59 NE2 -0.0190 -0.0056 -0.0064 927 HIS 59 H -0.0094 -0.0099 -0.0082 928 HIS 59 HA -0.0132 -0.0074 -0.0064 929 HIS 59 HB3 -0.0120 -0.0088 -0.0078 930 HIS 59 HB2 -0.0138 -0.0094 -0.0092 931 HIS 59 HD2 -0.0175 -0.0070 -0.0076 932 HIS 59 HE1 -0.0188 -0.0049 -0.0053 933 HIS 59 HE2 -0.0208 -0.0050 -0.0063 934 LEU 60 N -0.0094 -0.0065 -0.0038 935 LEU 60 CA -0.0086 -0.0052 -0.0019 936 LEU 60 C -0.0080 -0.0042 -0.0003 937 LEU 60 O -0.0085 -0.0028 0.0014 938 LEU 60 CB -0.0066 -0.0058 -0.0018 939 LEU 60 CG -0.0073 -0.0066 -0.0031 940 LEU 60 CD1 -0.0051 -0.0075 -0.0035 941 LEU 60 CD2 -0.0088 -0.0053 -0.0020 942 LEU 60 H -0.0083 -0.0076 -0.0048 943 LEU 60 HA -0.0101 -0.0045 -0.0015 944 LEU 60 HB3 -0.0059 -0.0049 -0.0003 945 LEU 60 HB2 -0.0051 -0.0067 -0.0024 946 LEU 60 HG -0.0084 -0.0073 -0.0045 947 LEU 60 HD11 -0.0057 -0.0081 -0.0044 948 LEU 60 HD12 -0.0041 -0.0085 -0.0043 949 LEU 60 HD13 -0.0040 -0.0068 -0.0021 950 LEU 60 HD21 -0.0093 -0.0058 -0.0029 951 LEU 60 HD22 -0.0078 -0.0045 -0.0006 952 LEU 60 HD23 -0.0104 -0.0047 -0.0018 953 VAL 61 N -0.0069 -0.0052 -0.0023 954 VAL 61 CA -0.0062 -0.0046 -0.0010 955 VAL 61 C -0.0079 -0.0040 -0.0005 956 VAL 61 O -0.0080 -0.0032 0.0010 957 VAL 61 CB -0.0047 -0.0052 -0.0016 958 VAL 61 CG1 -0.0044 -0.0046 -0.0004 959 VAL 61 CG2 -0.0030 -0.0056 -0.0017 960 VAL 61 H -0.0065 -0.0059 -0.0034 961 VAL 61 HA -0.0057 -0.0041 0.0001 962 VAL 61 HB -0.0052 -0.0058 -0.0028 963 VAL 61 HG11 -0.0033 -0.0050 -0.0008 964 VAL 61 HG12 -0.0056 -0.0043 -0.0003 965 VAL 61 HG13 -0.0039 -0.0040 0.0009 966 VAL 61 HG21 -0.0019 -0.0060 -0.0021 967 VAL 61 HG22 -0.0025 -0.0050 -0.0005 968 VAL 61 HG23 -0.0032 -0.0060 -0.0026 969 GLN 62 N -0.0091 -0.0045 -0.0017 970 GLN 62 CA -0.0108 -0.0040 -0.0014 971 GLN 62 C -0.0120 -0.0032 -0.0002 972 GLN 62 O -0.0127 -0.0024 0.0009 973 GLN 62 CB -0.0119 -0.0047 -0.0030 974 GLN 62 CG -0.0111 -0.0055 -0.0041 975 GLN 62 CD -0.0121 -0.0062 -0.0058 976 GLN 62 OE1 -0.0122 -0.0067 -0.0068 977 GLN 62 NE2 -0.0130 -0.0063 -0.0061 978 GLN 62 H -0.0089 -0.0052 -0.0029 979 GLN 62 HA -0.0103 -0.0038 -0.0008 980 GLN 62 HB3 -0.0133 -0.0043 -0.0028 981 GLN 62 HB2 -0.0121 -0.0051 -0.0037 982 GLN 62 HG3 -0.0096 -0.0058 -0.0042 983 GLN 62 HG2 -0.0111 -0.0051 -0.0034 984 GLN 62 HE22 -0.0137 -0.0067 -0.0072 985 GLN 62 HE21 -0.0129 -0.0058 -0.0053 986 GLN 63 N -0.0144 -0.0012 -0.0007 987 GLN 63 CA -0.0154 0.0004 0.0007 988 GLN 63 C -0.0141 0.0017 0.0028 989 GLN 63 O -0.0152 0.0033 0.0041 990 GLN 63 CB -0.0154 -0.0000 0.0002 991 GLN 63 CG -0.0173 -0.0009 -0.0016 992 GLN 63 CD -0.0179 -0.0006 -0.0016 993 GLN 63 OE1 -0.0163 -0.0012 -0.0016 994 GLN 63 NE2 -0.0201 0.0004 -0.0015 995 GLN 63 H -0.0134 -0.0023 -0.0015 996 GLN 63 HA -0.0173 0.0010 0.0005 997 GLN 63 HB3 -0.0156 0.0012 0.0014 998 GLN 63 HB2 -0.0136 -0.0009 -0.0000 999 GLN 63 HG3 -0.0166 -0.0023 -0.0029 1000 GLN 63 HG2 -0.0189 -0.0003 -0.0017 1001 GLN 63 HE22 -0.0206 0.0007 -0.0014 1002 GLN 63 HE21 -0.0213 0.0009 -0.0014 1003 ALA 64 N -0.0116 0.0011 0.0032 1004 ALA 64 CA -0.0101 0.0022 0.0051 1005 ALA 64 C -0.0104 0.0030 0.0059 1006 ALA 64 O -0.0103 0.0045 0.0076 1007 ALA 64 CB -0.0075 0.0012 0.0052 1008 ALA 64 H -0.0108 -0.0002 0.0020 1009 ALA 64 HA -0.0107 0.0033 0.0061 1010 ALA 64 HB1 -0.0064 0.0021 0.0067 1011 ALA 64 HB2 -0.0073 0.0007 0.0047 1012 ALA 64 HB3 -0.0068 0.0001 0.0042 1013 ASN 65 N -0.0100 0.0005 0.0027 1014 ASN 65 CA -0.0103 0.0012 0.0033 1015 ASN 65 C -0.0086 0.0023 0.0048 1016 ASN 65 O -0.0093 0.0037 0.0061 1017 ASN 65 CB -0.0128 0.0021 0.0036 1018 ASN 65 CG -0.0134 0.0025 0.0038 1019 ASN 65 OD1 -0.0154 0.0034 0.0042 1020 ASN 65 ND2 -0.0121 0.0019 0.0035 1021 ASN 65 H -0.0102 -0.0007 0.0015 1022 ASN 65 HA -0.0101 0.0001 0.0023 1023 ASN 65 HB3 -0.0130 0.0033 0.0047 1024 ASN 65 HB2 -0.0140 0.0014 0.0025 1025 ASN 65 HD22 -0.0125 0.0021 0.0037 1026 ASN 65 HD21 -0.0106 0.0011 0.0032 1027 PRO 66 N -0.0064 0.0016 0.0047 1028 PRO 66 CA -0.0047 0.0026 0.0062 1029 PRO 66 C -0.0045 0.0029 0.0066 1030 PRO 66 O -0.0054 0.0021 0.0055 1031 PRO 66 CB -0.0025 0.0016 0.0058 1032 PRO 66 CG -0.0028 -0.0002 0.0039 1033 PRO 66 CD -0.0054 -0.0002 0.0033 1034 PRO 66 HA -0.0051 0.0038 0.0073 1035 PRO 66 HB3 -0.0023 0.0018 0.0061 1036 PRO 66 HB2 -0.0011 0.0017 0.0063 1037 PRO 66 HG3 -0.0019 -0.0010 0.0034 1038 PRO 66 HG2 -0.0024 -0.0006 0.0036 1039 PRO 66 HD2 -0.0060 -0.0010 0.0023 1040 PRO 66 HD3 -0.0057 -0.0004 0.0030 1041 ARG 67 N -0.0040 0.0022 0.0066 1042 ARG 67 CA -0.0035 0.0031 0.0076 1043 ARG 67 C -0.0015 0.0012 0.0058 1044 ARG 67 O 0.0013 0.0001 0.0051 1045 ARG 67 CB -0.0015 0.0054 0.0103 1046 ARG 67 CG 0.0002 0.0060 0.0112 1047 ARG 67 CD -0.0025 0.0069 0.0118 1048 ARG 67 NE -0.0059 0.0079 0.0123 1049 ARG 67 CZ -0.0088 0.0084 0.0124 1050 ARG 67 NH1 -0.0087 0.0080 0.0120 1051 ARG 67 NH2 -0.0118 0.0092 0.0129 1052 ARG 67 H -0.0029 0.0030 0.0076 1053 ARG 67 HA -0.0061 0.0036 0.0078 1054 ARG 67 HB3 0.0005 0.0051 0.0104 1055 ARG 67 HB2 -0.0033 0.0069 0.0117 1056 ARG 67 HG3 0.0018 0.0044 0.0098 1057 ARG 67 HG2 0.0020 0.0074 0.0130 1058 ARG 67 HD3 -0.0028 0.0055 0.0102 1059 ARG 67 HD2 -0.0014 0.0084 0.0135 1060 ARG 67 HE -0.0059 0.0082 0.0126 1061 ARG 67 HH12 -0.0109 0.0083 0.0120 1062 ARG 67 HH11 -0.0064 0.0073 0.0116 1063 ARG 67 HH22 -0.0140 0.0096 0.0129 1064 ARG 67 HH21 -0.0118 0.0095 0.0132 1065 GLY 68 N -0.0031 0.0008 0.0052 1066 GLY 68 CA -0.0015 -0.0009 0.0036 1067 GLY 68 C -0.0023 -0.0035 0.0008 1068 GLY 68 O -0.0009 -0.0052 -0.0009 1069 GLY 68 H -0.0055 0.0016 0.0057 1070 GLY 68 HA3 0.0013 -0.0008 0.0041 1071 GLY 68 HA2 -0.0025 -0.0004 0.0041 1072 SER 69 N -0.0028 -0.0026 0.0026 1073 SER 69 CA -0.0033 -0.0033 0.0010 1074 SER 69 C -0.0044 -0.0035 0.0002 1075 SER 69 O -0.0058 -0.0030 0.0005 1076 SER 69 CB -0.0043 -0.0032 0.0009 1077 SER 69 OG -0.0059 -0.0025 0.0014 1078 SER 69 H -0.0035 -0.0021 0.0035 1079 SER 69 HA -0.0021 -0.0039 0.0004 1080 SER 69 HB3 -0.0035 -0.0030 0.0016 1081 SER 69 HB2 -0.0044 -0.0037 -0.0004 1082 SER 69 HG -0.0058 -0.0020 0.0026 1083 ALA 70 N -0.0037 -0.0042 -0.0010 1084 ALA 70 CA -0.0046 -0.0044 -0.0018 1085 ALA 70 C -0.0057 -0.0048 -0.0032 1086 ALA 70 O -0.0054 -0.0051 -0.0036 1087 ALA 70 CB -0.0033 -0.0050 -0.0025 1088 ALA 70 H -0.0025 -0.0046 -0.0012 1089 ALA 70 HA -0.0054 -0.0038 -0.0011 1090 ALA 70 HB1 -0.0040 -0.0051 -0.0031 1091 ALA 70 HB2 -0.0025 -0.0047 -0.0015 1092 ALA 70 HB3 -0.0025 -0.0055 -0.0032 1093 GLY 71 N -0.0046 -0.0048 -0.0011 1094 GLY 71 CA -0.0051 -0.0049 -0.0017 1095 GLY 71 C -0.0047 -0.0042 -0.0027 1096 GLY 71 O -0.0040 -0.0036 -0.0027 1097 GLY 71 H -0.0042 -0.0048 -0.0004 1098 GLY 71 HA3 -0.0051 -0.0050 -0.0013 1099 GLY 71 HA2 -0.0058 -0.0053 -0.0020 1100 PRO 72 N -0.0052 -0.0042 -0.0034 1101 PRO 72 CA -0.0049 -0.0035 -0.0043 1102 PRO 72 C -0.0039 -0.0029 -0.0040 1103 PRO 72 O -0.0038 -0.0031 -0.0033 1104 PRO 72 CB -0.0056 -0.0037 -0.0050 1105 PRO 72 CG -0.0064 -0.0045 -0.0046 1106 PRO 72 CD -0.0060 -0.0048 -0.0034 1107 PRO 72 HA -0.0048 -0.0033 -0.0047 1108 PRO 72 HB3 -0.0058 -0.0035 -0.0058 1109 PRO 72 HB2 -0.0053 -0.0036 -0.0049 1110 PRO 72 HG3 -0.0068 -0.0047 -0.0049 1111 PRO 72 HG2 -0.0067 -0.0048 -0.0047 1112 PRO 72 HD2 -0.0058 -0.0048 -0.0030 1113 PRO 72 HD3 -0.0065 -0.0053 -0.0031 1114 CYS 73 N -0.0036 0.0011 -0.0035 1115 CYS 73 CA -0.0021 0.0016 -0.0037 1116 CYS 73 C -0.0019 0.0031 -0.0044 1117 CYS 73 O -0.0030 0.0038 -0.0048 1118 CYS 73 CB -0.0017 0.0010 -0.0034 1119 CYS 73 SG -0.0030 0.0015 -0.0037 1120 CYS 73 H -0.0045 0.0013 -0.0037 1121 CYS 73 HA -0.0013 0.0011 -0.0035 1122 CYS 73 HB3 -0.0017 -0.0001 -0.0029 1123 CYS 73 HB2 -0.0006 0.0014 -0.0035 1124 CYS 74 N -0.0006 0.0036 -0.0046 1125 CYS 74 CA -0.0002 0.0050 -0.0052 1126 CYS 74 C -0.0001 0.0055 -0.0055 1127 CYS 74 O 0.0009 0.0051 -0.0052 1128 CYS 74 CB 0.0012 0.0053 -0.0053 1129 CYS 74 SG 0.0016 0.0071 -0.0062 1130 CYS 74 H 0.0003 0.0029 -0.0042 1131 CYS 74 HA -0.0012 0.0055 -0.0055 1132 CYS 74 HB3 0.0021 0.0049 -0.0051 1133 CYS 74 HB2 0.0011 0.0049 -0.0051 1134 THR 75 N 0.0030 0.0039 -0.0016 1135 THR 75 CA 0.0015 0.0045 -0.0017 1136 THR 75 C 0.0008 0.0062 -0.0011 1137 THR 75 O 0.0012 0.0067 -0.0008 1138 THR 75 CB 0.0000 0.0033 -0.0026 1139 THR 75 OG1 -0.0012 0.0036 -0.0028 1140 THR 75 CG2 -0.0009 0.0035 -0.0027 1141 THR 75 H 0.0031 0.0042 -0.0015 1142 THR 75 HA 0.0018 0.0046 -0.0016 1143 THR 75 HB 0.0006 0.0021 -0.0030 1144 THR 75 HG1 -0.0015 0.0026 -0.0033 1145 THR 75 HG21 -0.0019 0.0027 -0.0033 1146 THR 75 HG22 -0.0000 0.0033 -0.0026 1147 THR 75 HG23 -0.0015 0.0048 -0.0023 1148 PRO 76 N -0.0001 0.0072 -0.0009 1149 PRO 76 CA -0.0008 0.0089 -0.0003 1150 PRO 76 C -0.0020 0.0088 -0.0006 1151 PRO 76 O -0.0031 0.0079 -0.0013 1152 PRO 76 CB -0.0018 0.0096 -0.0002 1153 PRO 76 CG -0.0009 0.0087 -0.0004 1154 PRO 76 CD -0.0005 0.0070 -0.0011 1155 PRO 76 HA 0.0003 0.0096 0.0002 1156 PRO 76 HB3 -0.0016 0.0109 0.0004 1157 PRO 76 HB2 -0.0031 0.0094 -0.0007 1158 PRO 76 HG3 0.0002 0.0092 0.0001 1159 PRO 76 HG2 -0.0019 0.0087 -0.0007 1160 PRO 76 HD2 -0.0016 0.0063 -0.0017 1161 PRO 76 HD3 0.0007 0.0065 -0.0010 1162 THR 77 N -0.0026 0.0069 -0.0017 1163 THR 77 CA -0.0034 0.0070 -0.0019 1164 THR 77 C -0.0050 0.0090 -0.0004 1165 THR 77 O -0.0061 0.0094 -0.0005 1166 THR 77 CB -0.0009 0.0065 -0.0016 1167 THR 77 OG1 0.0009 0.0077 0.0002 1168 THR 77 CG2 0.0004 0.0043 -0.0033 1169 THR 77 H -0.0013 0.0077 -0.0005 1170 THR 77 HA -0.0046 0.0060 -0.0034 1171 THR 77 HB -0.0015 0.0068 -0.0015 1172 THR 77 HG1 0.0014 0.0074 0.0001 1173 THR 77 HG21 0.0022 0.0040 -0.0031 1174 THR 77 HG22 -0.0009 0.0034 -0.0047 1175 THR 77 HG23 0.0011 0.0040 -0.0034 1176 LYS 78 N -0.0051 0.0104 0.0009 1177 LYS 78 CA -0.0068 0.0124 0.0023 1178 LYS 78 C -0.0078 0.0132 0.0028 1179 LYS 78 O -0.0062 0.0131 0.0033 1180 LYS 78 CB -0.0053 0.0137 0.0042 1181 LYS 78 CG -0.0071 0.0158 0.0057 1182 LYS 78 CD -0.0055 0.0171 0.0076 1183 LYS 78 CE -0.0072 0.0191 0.0091 1184 LYS 78 NZ -0.0057 0.0204 0.0109 1185 LYS 78 H -0.0041 0.0101 0.0010 1186 LYS 78 HA -0.0085 0.0123 0.0016 1187 LYS 78 HB3 -0.0037 0.0139 0.0050 1188 LYS 78 HB2 -0.0045 0.0130 0.0038 1189 LYS 78 HG3 -0.0087 0.0156 0.0049 1190 LYS 78 HG2 -0.0080 0.0165 0.0061 1191 LYS 78 HD3 -0.0038 0.0171 0.0082 1192 LYS 78 HD2 -0.0048 0.0164 0.0072 1193 LYS 78 HE3 -0.0089 0.0191 0.0084 1194 LYS 78 HE2 -0.0080 0.0198 0.0094 1195 LYS 78 HZ1 -0.0041 0.0205 0.0116 1196 LYS 78 HZ2 -0.0068 0.0218 0.0119 1197 LYS 78 HZ3 -0.0050 0.0199 0.0106 1198 MET 79 N -0.0028 0.0115 0.0064 1199 MET 79 CA -0.0024 0.0112 0.0063 1200 MET 79 C -0.0026 0.0118 0.0063 1201 MET 79 O -0.0033 0.0123 0.0066 1202 MET 79 CB -0.0027 0.0102 0.0065 1203 MET 79 CG -0.0025 0.0095 0.0064 1204 MET 79 SD -0.0014 0.0091 0.0060 1205 MET 79 CE -0.0014 0.0084 0.0060 1206 MET 79 H -0.0034 0.0116 0.0067 1207 MET 79 HA -0.0017 0.0112 0.0060 1208 MET 79 HB3 -0.0024 0.0100 0.0064 1209 MET 79 HB2 -0.0034 0.0103 0.0068 1210 MET 79 HG3 -0.0029 0.0089 0.0067 1211 MET 79 HG2 -0.0027 0.0098 0.0065 1212 MET 79 HE1 -0.0008 0.0081 0.0057 1213 MET 79 HE2 -0.0019 0.0078 0.0063 1214 MET 79 HE3 -0.0016 0.0088 0.0061 1215 SER 80 N -0.0021 0.0119 0.0061 1216 SER 80 CA -0.0022 0.0124 0.0061 1217 SER 80 C -0.0021 0.0118 0.0061 1218 SER 80 O -0.0016 0.0112 0.0059 1219 SER 80 CB -0.0017 0.0133 0.0058 1220 SER 80 OG -0.0020 0.0140 0.0059 1221 SER 80 H -0.0015 0.0116 0.0058 1222 SER 80 HA -0.0029 0.0127 0.0064 1223 SER 80 HB3 -0.0016 0.0135 0.0057 1224 SER 80 HB2 -0.0010 0.0131 0.0055 1225 SER 80 HG -0.0019 0.0139 0.0058 1226 PRO 81 N 0.0006 0.0115 0.0093 1227 PRO 81 CA 0.0012 0.0101 0.0092 1228 PRO 81 C 0.0015 0.0097 0.0078 1229 PRO 81 O 0.0013 0.0105 0.0069 1230 PRO 81 CB 0.0012 0.0097 0.0104 1231 PRO 81 CG 0.0007 0.0109 0.0104 1232 PRO 81 CD 0.0002 0.0121 0.0100 1233 PRO 81 HA 0.0013 0.0096 0.0095 1234 PRO 81 HB3 0.0011 0.0095 0.0114 1235 PRO 81 HB2 0.0016 0.0088 0.0100 1236 PRO 81 HG3 0.0005 0.0109 0.0115 1237 PRO 81 HG2 0.0008 0.0108 0.0096 1238 PRO 81 HD2 0.0001 0.0128 0.0092 1239 PRO 81 HD3 -0.0001 0.0126 0.0110 1240 ILE 82 N 0.0021 0.0084 0.0075 1241 ILE 82 CA 0.0025 0.0078 0.0063 1242 ILE 82 C 0.0030 0.0066 0.0069 1243 ILE 82 O 0.0031 0.0060 0.0080 1244 ILE 82 CB 0.0029 0.0074 0.0050 1245 ILE 82 CG1 0.0032 0.0064 0.0056 1246 ILE 82 CG2 0.0024 0.0087 0.0043 1247 ILE 82 CD1 0.0036 0.0057 0.0044 1248 ILE 82 H 0.0023 0.0078 0.0081 1249 ILE 82 HA 0.0023 0.0086 0.0059 1250 ILE 82 HB 0.0032 0.0069 0.0043 1251 ILE 82 HG13 0.0034 0.0057 0.0063 1252 ILE 82 HG12 0.0029 0.0070 0.0062 1253 ILE 82 HG21 0.0027 0.0083 0.0034 1254 ILE 82 HG22 0.0022 0.0093 0.0038 1255 ILE 82 HG23 0.0021 0.0092 0.0050 1256 ILE 82 HD11 0.0039 0.0051 0.0049 1257 ILE 82 HD12 0.0040 0.0052 0.0038 1258 ILE 82 HD13 0.0034 0.0065 0.0037 1259 ASN 83 N 0.0040 0.0060 0.0086 1260 ASN 83 CA 0.0044 0.0044 0.0091 1261 ASN 83 C 0.0045 0.0032 0.0081 1262 ASN 83 O 0.0042 0.0033 0.0066 1263 ASN 83 CB 0.0045 0.0040 0.0090 1264 ASN 83 CG 0.0044 0.0052 0.0100 1265 ASN 83 OD1 0.0047 0.0053 0.0115 1266 ASN 83 ND2 0.0041 0.0061 0.0092 1267 ASN 83 H 0.0038 0.0065 0.0077 1268 ASN 83 HA 0.0047 0.0043 0.0104 1269 ASN 83 HB3 0.0048 0.0028 0.0094 1270 ASN 83 HB2 0.0043 0.0041 0.0077 1271 ASN 83 HD22 0.0041 0.0069 0.0098 1272 ASN 83 HD21 0.0039 0.0060 0.0080 1273 MET 84 N 0.0049 0.0020 0.0090 1274 MET 84 CA 0.0050 0.0008 0.0081 1275 MET 84 C 0.0054 -0.0009 0.0086 1276 MET 84 O 0.0057 -0.0012 0.0100 1277 MET 84 CB 0.0050 0.0012 0.0084 1278 MET 84 CG 0.0045 0.0029 0.0078 1279 MET 84 SD 0.0045 0.0032 0.0080 1280 MET 84 CE 0.0044 0.0020 0.0063 1281 MET 84 H 0.0051 0.0019 0.0102 1282 MET 84 HA 0.0047 0.0009 0.0068 1283 MET 84 HB3 0.0050 0.0002 0.0078 1284 MET 84 HB2 0.0052 0.0011 0.0098 1285 MET 84 HG3 0.0045 0.0038 0.0085 1286 MET 84 HG2 0.0043 0.0030 0.0065 1287 MET 84 HE1 0.0044 0.0021 0.0063 1288 MET 84 HE2 0.0047 0.0007 0.0065 1289 MET 84 HE3 0.0042 0.0024 0.0052 1290 LEU 85 N 0.0063 -0.0020 0.0114 1291 LEU 85 CA 0.0049 -0.0028 0.0119 1292 LEU 85 C 0.0036 -0.0022 0.0102 1293 LEU 85 O 0.0028 -0.0019 0.0092 1294 LEU 85 CB 0.0038 -0.0041 0.0132 1295 LEU 85 CG 0.0027 -0.0052 0.0142 1296 LEU 85 CD1 0.0041 -0.0054 0.0155 1297 LEU 85 CD2 0.0015 -0.0063 0.0152 1298 LEU 85 H 0.0058 -0.0018 0.0109 1299 LEU 85 HA 0.0056 -0.0029 0.0125 1300 LEU 85 HB3 0.0028 -0.0040 0.0125 1301 LEU 85 HB2 0.0048 -0.0043 0.0140 1302 LEU 85 HG 0.0018 -0.0049 0.0133 1303 LEU 85 HD11 0.0034 -0.0062 0.0162 1304 LEU 85 HD12 0.0050 -0.0046 0.0147 1305 LEU 85 HD13 0.0051 -0.0056 0.0163 1306 LEU 85 HD21 0.0007 -0.0070 0.0159 1307 LEU 85 HD22 0.0024 -0.0065 0.0160 1308 LEU 85 HD23 0.0004 -0.0061 0.0143 1309 TYR 86 N 0.0034 -0.0021 0.0098 1310 TYR 86 CA 0.0024 -0.0013 0.0081 1311 TYR 86 C 0.0015 -0.0017 0.0082 1312 TYR 86 O 0.0021 -0.0023 0.0095 1313 TYR 86 CB 0.0038 0.0000 0.0068 1314 TYR 86 CG 0.0055 0.0004 0.0073 1315 TYR 86 CD1 0.0072 0.0003 0.0084 1316 TYR 86 CD2 0.0054 0.0007 0.0067 1317 TYR 86 CE1 0.0087 0.0006 0.0089 1318 TYR 86 CE2 0.0069 0.0010 0.0072 1319 TYR 86 CZ 0.0086 0.0009 0.0083 1320 TYR 86 OH 0.0101 0.0012 0.0088 1321 TYR 86 H 0.0039 -0.0024 0.0107 1322 TYR 86 HA 0.0012 -0.0015 0.0076 1323 TYR 86 HB3 0.0043 0.0003 0.0067 1324 TYR 86 HB2 0.0030 0.0006 0.0055 1325 TYR 86 HD1 0.0073 0.0000 0.0089 1326 TYR 86 HD2 0.0041 0.0008 0.0059 1327 TYR 86 HE1 0.0100 0.0005 0.0097 1328 TYR 86 HE2 0.0069 0.0013 0.0067 1329 TYR 86 HH 0.0112 0.0011 0.0095 1330 PHE 87 N -0.0004 0.0010 0.0056 1331 PHE 87 CA -0.0018 0.0024 0.0041 1332 PHE 87 C 0.0009 0.0043 0.0008 1333 PHE 87 O 0.0016 0.0059 -0.0014 1334 PHE 87 CB -0.0063 0.0039 0.0033 1335 PHE 87 CG -0.0094 0.0022 0.0064 1336 PHE 87 CD1 -0.0107 0.0012 0.0081 1337 PHE 87 CD2 -0.0111 0.0016 0.0076 1338 PHE 87 CE1 -0.0136 -0.0003 0.0109 1339 PHE 87 CE2 -0.0140 0.0001 0.0104 1340 PHE 87 CZ -0.0153 -0.0009 0.0121 1341 PHE 87 H -0.0015 0.0017 0.0049 1342 PHE 87 HA -0.0016 0.0011 0.0058 1343 PHE 87 HB3 -0.0070 0.0052 0.0017 1344 PHE 87 HB2 -0.0065 0.0050 0.0018 1345 PHE 87 HD1 -0.0095 0.0016 0.0072 1346 PHE 87 HD2 -0.0102 0.0024 0.0063 1347 PHE 87 HE1 -0.0146 -0.0011 0.0122 1348 PHE 87 HE2 -0.0153 -0.0003 0.0113 1349 PHE 87 HZ -0.0175 -0.0021 0.0143 1350 ASN 88 N 0.0026 0.0042 0.0006 1351 ASN 88 CA 0.0049 0.0061 -0.0026 1352 ASN 88 C 0.0020 0.0085 -0.0051 1353 ASN 88 O -0.0018 0.0087 -0.0045 1354 ASN 88 CB 0.0081 0.0050 -0.0020 1355 ASN 88 CG 0.0061 0.0043 -0.0005 1356 ASN 88 OD1 0.0024 0.0049 -0.0003 1357 ASN 88 ND2 0.0087 0.0030 0.0005 1358 ASN 88 H 0.0022 0.0028 0.0026 1359 ASN 88 HA 0.0066 0.0066 -0.0038 1360 ASN 88 HB3 0.0102 0.0034 -0.0003 1361 ASN 88 HB2 0.0100 0.0064 -0.0044 1362 ASN 88 HD22 0.0076 0.0025 0.0016 1363 ASN 88 HD21 0.0118 0.0026 0.0003 1364 ASP 89 N 0.0046 0.0175 -0.0137 1365 ASP 89 CA 0.0010 0.0229 -0.0180 1366 ASP 89 C -0.0041 0.0226 -0.0161 1367 ASP 89 O -0.0098 0.0262 -0.0179 1368 ASP 89 CB 0.0069 0.0261 -0.0233 1369 ASP 89 CG 0.0125 0.0230 -0.0220 1370 ASP 89 OD1 0.0137 0.0179 -0.0171 1371 ASP 89 OD2 0.0158 0.0257 -0.0258 1372 ASP 89 H 0.0102 0.0167 -0.0148 1373 ASP 89 HA -0.0024 0.0252 -0.0192 1374 ASP 89 HB3 0.0097 0.0270 -0.0251 1375 ASP 89 HB2 0.0041 0.0300 -0.0264 1376 LYS 90 N -0.0021 0.0184 -0.0124 1377 LYS 90 CA -0.0066 0.0176 -0.0100 1378 LYS 90 C -0.0126 0.0145 -0.0049 1379 LYS 90 O -0.0165 0.0131 -0.0021 1380 LYS 90 CB -0.0018 0.0145 -0.0084 1381 LYS 90 CG 0.0038 0.0174 -0.0133 1382 LYS 90 CD 0.0104 0.0132 -0.0112 1383 LYS 90 CE 0.0150 0.0158 -0.0154 1384 LYS 90 NZ 0.0195 0.0116 -0.0126 1385 LYS 90 H 0.0028 0.0156 -0.0111 1386 LYS 90 HA -0.0094 0.0216 -0.0132 1387 LYS 90 HB3 -0.0053 0.0136 -0.0063 1388 LYS 90 HB2 0.0011 0.0105 -0.0053 1389 LYS 90 HG3 0.0058 0.0197 -0.0164 1390 LYS 90 HG2 0.0012 0.0201 -0.0153 1391 LYS 90 HD3 0.0083 0.0101 -0.0073 1392 LYS 90 HD2 0.0138 0.0112 -0.0102 1393 LYS 90 HE3 0.0187 0.0177 -0.0186 1394 LYS 90 HE2 0.0114 0.0189 -0.0174 1395 LYS 90 HZ1 0.0161 0.0099 -0.0096 1396 LYS 90 HZ2 0.0226 0.0134 -0.0154 1397 LYS 90 HZ3 0.0229 0.0087 -0.0107 1398 GLN 91 N -0.0105 0.0111 -0.0055 1399 GLN 91 CA -0.0148 0.0085 -0.0019 1400 GLN 91 C -0.0134 0.0039 0.0039 1401 GLN 91 O -0.0178 0.0015 0.0073 1402 GLN 91 CB -0.0222 0.0098 -0.0029 1403 GLN 91 CG -0.0240 0.0143 -0.0086 1404 GLN 91 CD -0.0225 0.0154 -0.0101 1405 GLN 91 OE1 -0.0225 0.0128 -0.0067 1406 GLN 91 NE2 -0.0211 0.0193 -0.0151 1407 GLN 91 H -0.0073 0.0128 -0.0079 1408 GLN 91 HA -0.0137 0.0090 -0.0025 1409 GLN 91 HB3 -0.0253 0.0078 -0.0002 1410 GLN 91 HB2 -0.0235 0.0092 -0.0020 1411 GLN 91 HG3 -0.0293 0.0150 -0.0090 1412 GLN 91 HG2 -0.0213 0.0163 -0.0113 1413 GLN 91 HE22 -0.0200 0.0202 -0.0163 1414 GLN 91 HE21 -0.0210 0.0213 -0.0177 1415 GLN 92 N -0.0072 0.0028 0.0048 1416 GLN 92 CA -0.0051 -0.0015 0.0102 1417 GLN 92 C -0.0030 -0.0034 0.0125 1418 GLN 92 O -0.0006 -0.0013 0.0096 1419 GLN 92 CB 0.0007 -0.0020 0.0103 1420 GLN 92 CG -0.0009 -0.0004 0.0084 1421 GLN 92 CD 0.0053 -0.0001 0.0076 1422 GLN 92 OE1 0.0105 0.0010 0.0057 1423 GLN 92 NE2 0.0047 -0.0011 0.0089 1424 GLN 92 H -0.0039 0.0050 0.0018 1425 GLN 92 HA -0.0092 -0.0032 0.0126 1426 GLN 92 HB3 0.0025 -0.0052 0.0143 1427 GLN 92 HB2 0.0050 -0.0004 0.0080 1428 GLN 92 HG3 -0.0035 0.0027 0.0047 1429 GLN 92 HG2 -0.0043 -0.0024 0.0113 1430 GLN 92 HE22 0.0086 -0.0010 0.0084 1431 GLN 92 HE21 0.0003 -0.0020 0.0104 1432 ILE 93 N -0.0025 -0.0050 0.0132 1433 ILE 93 CA -0.0015 -0.0061 0.0144 1434 ILE 93 C 0.0029 -0.0064 0.0150 1435 ILE 93 O 0.0046 -0.0081 0.0168 1436 ILE 93 CB -0.0037 -0.0090 0.0171 1437 ILE 93 CG1 -0.0082 -0.0088 0.0165 1438 ILE 93 CG2 -0.0025 -0.0101 0.0183 1439 ILE 93 CD1 -0.0104 -0.0116 0.0191 1440 ILE 93 H -0.0036 -0.0064 0.0145 1441 ILE 93 HA -0.0024 -0.0047 0.0129 1442 ILE 93 HB -0.0028 -0.0105 0.0186 1443 ILE 93 HG13 -0.0089 -0.0075 0.0152 1444 ILE 93 HG12 -0.0091 -0.0076 0.0152 1445 ILE 93 HG21 -0.0041 -0.0122 0.0202 1446 ILE 93 HG22 0.0007 -0.0104 0.0188 1447 ILE 93 HG23 -0.0033 -0.0087 0.0168 1448 ILE 93 HD11 -0.0136 -0.0113 0.0185 1449 ILE 93 HD12 -0.0096 -0.0127 0.0203 1450 ILE 93 HD13 -0.0098 -0.0128 0.0203 1451 ILE 94 N 0.0048 -0.0047 0.0135 1452 ILE 94 CA 0.0091 -0.0046 0.0138 1453 ILE 94 C 0.0103 -0.0054 0.0147 1454 ILE 94 O 0.0088 -0.0044 0.0135 1455 ILE 94 CB 0.0110 -0.0017 0.0110 1456 ILE 94 CG1 0.0099 -0.0008 0.0100 1457 ILE 94 CG2 0.0155 -0.0016 0.0113 1458 ILE 94 CD1 0.0114 -0.0027 0.0121 1459 ILE 94 H 0.0033 -0.0034 0.0121 1460 ILE 94 HA 0.0102 -0.0061 0.0154 1461 ILE 94 HB 0.0099 -0.0002 0.0094 1462 ILE 94 HG13 0.0110 0.0014 0.0080 1463 ILE 94 HG12 0.0067 -0.0007 0.0097 1464 ILE 94 HG21 0.0168 0.0005 0.0094 1465 ILE 94 HG22 0.0162 -0.0021 0.0119 1466 ILE 94 HG23 0.0167 -0.0032 0.0130 1467 ILE 94 HD11 0.0105 -0.0019 0.0112 1468 ILE 94 HD12 0.0146 -0.0027 0.0123 1469 ILE 94 HD13 0.0101 -0.0048 0.0141 1470 TYR 95 N 0.0092 -0.0059 0.0137 1471 TYR 95 CA 0.0087 -0.0050 0.0132 1472 TYR 95 C 0.0094 -0.0034 0.0142 1473 TYR 95 O 0.0105 -0.0035 0.0153 1474 TYR 95 CB 0.0087 -0.0063 0.0131 1475 TYR 95 CG 0.0084 -0.0053 0.0129 1476 TYR 95 CD1 0.0072 -0.0050 0.0117 1477 TYR 95 CD2 0.0093 -0.0047 0.0140 1478 TYR 95 CE1 0.0069 -0.0042 0.0115 1479 TYR 95 CE2 0.0091 -0.0039 0.0138 1480 TYR 95 CZ 0.0078 -0.0036 0.0125 1481 TYR 95 OH 0.0075 -0.0028 0.0123 1482 TYR 95 H 0.0100 -0.0068 0.0144 1483 TYR 95 HA 0.0077 -0.0046 0.0123 1484 TYR 95 HB3 0.0097 -0.0069 0.0140 1485 TYR 95 HB2 0.0081 -0.0073 0.0124 1486 TYR 95 HD1 0.0065 -0.0055 0.0109 1487 TYR 95 HD2 0.0103 -0.0049 0.0150 1488 TYR 95 HE1 0.0060 -0.0040 0.0105 1489 TYR 95 HE2 0.0098 -0.0034 0.0146 1490 TYR 95 HH 0.0083 -0.0024 0.0132 1491 GLY 96 N 0.0087 -0.0019 0.0137 1492 GLY 96 CA 0.0093 -0.0003 0.0145 1493 GLY 96 C 0.0086 0.0011 0.0139 1494 GLY 96 O 0.0075 0.0013 0.0127 1495 GLY 96 H 0.0078 -0.0019 0.0127 1496 GLY 96 HA3 0.0096 0.0003 0.0149 1497 GLY 96 HA2 0.0102 -0.0007 0.0154 1498 LYS 97 N 0.0041 0.0024 0.0137 1499 LYS 97 CA 0.0039 0.0041 0.0132 1500 LYS 97 C 0.0039 0.0045 0.0134 1501 LYS 97 O 0.0040 0.0045 0.0147 1502 LYS 97 CB 0.0039 0.0052 0.0141 1503 LYS 97 CG 0.0037 0.0069 0.0135 1504 LYS 97 CD 0.0037 0.0079 0.0144 1505 LYS 97 CE 0.0036 0.0081 0.0135 1506 LYS 97 NZ 0.0037 0.0065 0.0131 1507 LYS 97 H 0.0041 0.0022 0.0149 1508 LYS 97 HA 0.0038 0.0041 0.0119 1509 LYS 97 HB3 0.0039 0.0052 0.0154 1510 LYS 97 HB2 0.0039 0.0047 0.0142 1511 LYS 97 HG3 0.0036 0.0068 0.0122 1512 LYS 97 HG2 0.0037 0.0074 0.0136 1513 LYS 97 HD3 0.0036 0.0090 0.0147 1514 LYS 97 HD2 0.0038 0.0073 0.0156 1515 LYS 97 HE3 0.0035 0.0087 0.0124 1516 LYS 97 HE2 0.0036 0.0088 0.0142 1517 LYS 97 HZ1 0.0037 0.0060 0.0121 1518 LYS 97 HZ2 0.0038 0.0058 0.0140 1519 LYS 97 HZ3 0.0037 0.0067 0.0128 1520 ILE 98 N 0.0038 0.0048 0.0120 1521 ILE 98 CA 0.0038 0.0051 0.0121 1522 ILE 98 C 0.0036 0.0069 0.0119 1523 ILE 98 O 0.0035 0.0075 0.0106 1524 ILE 98 CB 0.0038 0.0042 0.0107 1525 ILE 98 CG1 0.0039 0.0024 0.0107 1526 ILE 98 CG2 0.0037 0.0044 0.0108 1527 ILE 98 CD1 0.0041 0.0015 0.0122 1528 ILE 98 H 0.0037 0.0048 0.0110 1529 ILE 98 HA 0.0039 0.0047 0.0132 1530 ILE 98 HB 0.0036 0.0047 0.0096 1531 ILE 98 HG13 0.0039 0.0018 0.0096 1532 ILE 98 HG12 0.0039 0.0023 0.0105 1533 ILE 98 HG21 0.0037 0.0037 0.0099 1534 ILE 98 HG22 0.0036 0.0056 0.0108 1535 ILE 98 HG23 0.0038 0.0039 0.0120 1536 ILE 98 HD11 0.0041 0.0002 0.0120 1537 ILE 98 HD12 0.0041 0.0015 0.0123 1538 ILE 98 HD13 0.0041 0.0020 0.0132 1539 PRO 99 N 0.0011 0.0055 0.0121 1540 PRO 99 CA 0.0007 0.0070 0.0122 1541 PRO 99 C 0.0009 0.0071 0.0113 1542 PRO 99 O 0.0012 0.0059 0.0111 1543 PRO 99 CB 0.0003 0.0072 0.0140 1544 PRO 99 CG 0.0003 0.0060 0.0148 1545 PRO 99 CD 0.0009 0.0046 0.0136 1546 PRO 99 HA 0.0006 0.0080 0.0117 1547 PRO 99 HB3 -0.0001 0.0084 0.0143 1548 PRO 99 HB2 0.0003 0.0068 0.0142 1549 PRO 99 HG3 0.0002 0.0065 0.0149 1550 PRO 99 HG2 0.0002 0.0055 0.0159 1551 PRO 99 HD2 0.0010 0.0038 0.0138 1552 PRO 99 HD3 0.0010 0.0041 0.0137 1553 GLY 100 N 0.0007 0.0086 0.0108 1554 GLY 100 CA 0.0007 0.0089 0.0101 1555 GLY 100 C 0.0013 0.0081 0.0085 1556 GLY 100 O 0.0015 0.0076 0.0082 1557 GLY 100 H 0.0004 0.0095 0.0108 1558 GLY 100 HA3 0.0006 0.0085 0.0110 1559 GLY 100 HA2 0.0005 0.0102 0.0100 1560 MET 101 N 0.0009 0.0087 0.0071 1561 MET 101 CA 0.0014 0.0082 0.0060 1562 MET 101 C 0.0009 0.0091 0.0050 1563 MET 101 O 0.0011 0.0089 0.0044 1564 MET 101 CB 0.0020 0.0074 0.0054 1565 MET 101 CG 0.0026 0.0064 0.0063 1566 MET 101 SD 0.0031 0.0056 0.0063 1567 MET 101 CE 0.0036 0.0052 0.0047 1568 MET 101 H 0.0008 0.0090 0.0070 1569 MET 101 HA 0.0016 0.0078 0.0064 1570 MET 101 HB3 0.0022 0.0072 0.0045 1571 MET 101 HB2 0.0018 0.0078 0.0053 1572 MET 101 HG3 0.0030 0.0060 0.0059 1573 MET 101 HG2 0.0024 0.0066 0.0072 1574 MET 101 HE1 0.0039 0.0047 0.0046 1575 MET 101 HE2 0.0039 0.0048 0.0046 1576 MET 101 HE3 0.0032 0.0059 0.0041 1577 VAL 102 N 0.0003 0.0099 0.0049 1578 VAL 102 CA -0.0002 0.0108 0.0039 1579 VAL 102 C -0.0009 0.0118 0.0045 1580 VAL 102 O -0.0012 0.0121 0.0054 1581 VAL 102 CB -0.0002 0.0110 0.0030 1582 VAL 102 CG1 -0.0008 0.0119 0.0020 1583 VAL 102 CG2 0.0005 0.0100 0.0023 1584 VAL 102 H 0.0002 0.0100 0.0054 1585 VAL 102 HA 0.0001 0.0105 0.0033 1586 VAL 102 HB -0.0004 0.0112 0.0036 1587 VAL 102 HG11 -0.0008 0.0120 0.0014 1588 VAL 102 HG12 -0.0013 0.0126 0.0025 1589 VAL 102 HG13 -0.0006 0.0117 0.0015 1590 VAL 102 HG21 0.0005 0.0101 0.0017 1591 VAL 102 HG22 0.0007 0.0098 0.0017 1592 VAL 102 HG23 0.0009 0.0093 0.0030 1593 VAL 103 N -0.0021 0.0107 0.0027 1594 VAL 103 CA -0.0019 0.0111 0.0027 1595 VAL 103 C -0.0016 0.0117 0.0029 1596 VAL 103 O -0.0013 0.0118 0.0026 1597 VAL 103 CB -0.0016 0.0109 0.0022 1598 VAL 103 CG1 -0.0013 0.0114 0.0022 1599 VAL 103 CG2 -0.0018 0.0104 0.0022 1600 VAL 103 H -0.0019 0.0105 0.0024 1601 VAL 103 HA -0.0021 0.0111 0.0030 1602 VAL 103 HB -0.0014 0.0109 0.0019 1603 VAL 103 HG11 -0.0011 0.0113 0.0018 1604 VAL 103 HG12 -0.0011 0.0118 0.0023 1605 VAL 103 HG13 -0.0015 0.0115 0.0025 1606 VAL 103 HG21 -0.0016 0.0103 0.0018 1607 VAL 103 HG22 -0.0020 0.0104 0.0025 1608 VAL 103 HG23 -0.0020 0.0101 0.0022 1609 ASP 104 N -0.0017 0.0120 0.0033 1610 ASP 104 CA -0.0015 0.0126 0.0034 1611 ASP 104 C -0.0012 0.0130 0.0032 1612 ASP 104 O -0.0009 0.0134 0.0031 1613 ASP 104 CB -0.0018 0.0128 0.0040 1614 ASP 104 CG -0.0022 0.0125 0.0043 1615 ASP 104 OD1 -0.0021 0.0123 0.0040 1616 ASP 104 OD2 -0.0025 0.0125 0.0047 1617 ASP 104 H -0.0019 0.0119 0.0035 1618 ASP 104 HA -0.0014 0.0126 0.0033 1619 ASP 104 HB3 -0.0016 0.0133 0.0041 1620 ASP 104 HB2 -0.0019 0.0128 0.0042 1621 ARG 105 N -0.0038 0.0117 0.0037 1622 ARG 105 CA -0.0016 0.0116 0.0030 1623 ARG 105 C -0.0015 0.0110 0.0006 1624 ARG 105 O -0.0030 0.0106 -0.0004 1625 ARG 105 CB -0.0007 0.0119 0.0039 1626 ARG 105 CG 0.0016 0.0119 0.0035 1627 ARG 105 CD 0.0023 0.0122 0.0046 1628 ARG 105 NE 0.0016 0.0128 0.0068 1629 ARG 105 CZ 0.0011 0.0130 0.0078 1630 ARG 105 NH1 0.0012 0.0127 0.0068 1631 ARG 105 NH2 0.0004 0.0135 0.0098 1632 ARG 105 H -0.0051 0.0114 0.0028 1633 ARG 105 HA -0.0006 0.0118 0.0035 1634 ARG 105 HB3 -0.0017 0.0117 0.0034 1635 ARG 105 HB2 -0.0011 0.0123 0.0056 1636 ARG 105 HG3 0.0026 0.0121 0.0042 1637 ARG 105 HG2 0.0019 0.0115 0.0019 1638 ARG 105 HD3 0.0040 0.0123 0.0045 1639 ARG 105 HD2 0.0016 0.0120 0.0037 1640 ARG 105 HE 0.0014 0.0130 0.0076 1641 ARG 105 HH12 0.0009 0.0129 0.0075 1642 ARG 105 HH11 0.0017 0.0124 0.0052 1643 ARG 105 HH22 0.0001 0.0137 0.0105 1644 ARG 105 HH21 0.0003 0.0137 0.0106 1645 CYS 106 N 0.0002 0.0108 -0.0003 1646 CYS 106 CA 0.0005 0.0102 -0.0026 1647 CYS 106 C 0.0025 0.0102 -0.0032 1648 CYS 106 O 0.0041 0.0106 -0.0020 1649 CYS 106 CB 0.0008 0.0100 -0.0034 1650 CYS 106 SG -0.0017 0.0100 -0.0030 1651 CYS 106 H 0.0014 0.0111 0.0006 1652 CYS 106 HA -0.0009 0.0100 -0.0033 1653 CYS 106 HB3 0.0012 0.0096 -0.0051 1654 CYS 106 HB2 0.0021 0.0103 -0.0027 1655 GLY 107 N -0.0005 0.0068 -0.0060 1656 GLY 107 CA -0.0014 0.0055 -0.0061 1657 GLY 107 C -0.0015 0.0041 -0.0058 1658 GLY 107 O -0.0010 0.0041 -0.0055 1659 GLY 107 H -0.0004 0.0068 -0.0058 1660 GLY 107 HA3 -0.0024 0.0058 -0.0069 1661 GLY 107 HA2 -0.0010 0.0053 -0.0058 1662 CYS 108 N -0.0021 0.0027 -0.0058 1663 CYS 108 CA -0.0023 0.0012 -0.0054 1664 CYS 108 C -0.0037 0.0008 -0.0063 1665 CYS 108 O -0.0047 0.0006 -0.0069 1666 CYS 108 CB -0.0020 -0.0001 -0.0049 1667 CYS 108 SG -0.0003 0.0002 -0.0038 1668 CYS 108 H -0.0025 0.0028 -0.0060 1669 CYS 108 HA -0.0015 0.0013 -0.0049 1670 CYS 108 HB3 -0.0023 -0.0012 -0.0047 1671 CYS 108 HB2 -0.0027 -0.0001 -0.0053 1672 SER 109 N -0.0026 -0.0031 -0.0058 1673 SER 109 CA -0.0030 -0.0032 -0.0060 1674 SER 109 C -0.0031 -0.0037 -0.0051 1675 SER 109 O -0.0024 -0.0037 -0.0043 1676 SER 109 CB -0.0024 -0.0025 -0.0066 1677 SER 109 OG -0.0023 -0.0019 -0.0075 1678 SER 109 OXT -0.0038 -0.0042 -0.0051 1679 SER 109 H -0.0020 -0.0029 -0.0053 1680 SER 109 HA -0.0038 -0.0034 -0.0065 1681 SER 109 HB3 -0.0027 -0.0025 -0.0069 1682 SER 109 HB2 -0.0017 -0.0023 -0.0061 1683 SER 109 HG -0.0020 -0.0019 -0.0072 1684 ASN 1 N 0.0021 -0.0051 -0.0108 1685 ASN 1 CA 0.0015 -0.0021 -0.0109 1686 ASN 1 C 0.0016 -0.0008 -0.0080 1687 ASN 1 O 0.0013 0.0010 -0.0074 1688 ASN 1 CB 0.0011 -0.0014 -0.0123 1689 ASN 1 CG 0.0004 0.0016 -0.0125 1690 ASN 1 OD1 -0.0002 0.0027 -0.0148 1691 ASN 1 ND2 0.0004 0.0030 -0.0107 1692 ASN 1 H1 0.0020 -0.0059 -0.0127 1693 ASN 1 H2 0.0023 -0.0055 -0.0100 1694 ASN 1 HA 0.0011 -0.0013 -0.0121 1695 ASN 1 HB3 0.0014 -0.0022 -0.0111 1696 ASN 1 HB2 0.0010 -0.0024 -0.0143 1697 ASN 1 HD22 -0.0001 0.0050 -0.0109 1698 ASN 1 HD21 0.0008 0.0021 -0.0090 1699 LEU 2 N 0.0021 -0.0018 -0.0061 1700 LEU 2 CA 0.0024 -0.0010 -0.0032 1701 LEU 2 C 0.0030 -0.0028 -0.0017 1702 LEU 2 O 0.0033 -0.0024 0.0007 1703 LEU 2 CB 0.0026 -0.0012 -0.0019 1704 LEU 2 CG 0.0020 0.0012 -0.0026 1705 LEU 2 CD1 0.0022 0.0004 -0.0022 1706 LEU 2 CD2 0.0018 0.0036 -0.0007 1707 LEU 2 H 0.0023 -0.0032 -0.0068 1708 LEU 2 HA 0.0020 0.0011 -0.0031 1709 LEU 2 HB3 0.0030 -0.0013 0.0003 1710 LEU 2 HB2 0.0029 -0.0031 -0.0026 1711 LEU 2 HG 0.0016 0.0017 -0.0047 1712 LEU 2 HD11 0.0018 0.0021 -0.0027 1713 LEU 2 HD12 0.0024 -0.0013 -0.0036 1714 LEU 2 HD13 0.0027 -0.0002 -0.0001 1715 LEU 2 HD21 0.0014 0.0053 -0.0011 1716 LEU 2 HD22 0.0022 0.0031 0.0014 1717 LEU 2 HD23 0.0016 0.0042 -0.0010 1718 GLY 3 N 0.0016 -0.0101 0.0025 1719 GLY 3 CA 0.0023 -0.0099 0.0016 1720 GLY 3 C 0.0021 -0.0103 0.0011 1721 GLY 3 O 0.0016 -0.0106 0.0016 1722 GLY 3 H 0.0015 -0.0100 0.0031 1723 GLY 3 HA3 0.0029 -0.0093 0.0018 1724 GLY 3 HA2 0.0023 -0.0101 0.0011 1725 LEU 4 N 0.0025 -0.0104 0.0001 1726 LEU 4 CA 0.0024 -0.0108 -0.0005 1727 LEU 4 C 0.0031 -0.0102 -0.0007 1728 LEU 4 O 0.0038 -0.0096 -0.0010 1729 LEU 4 CB 0.0022 -0.0113 -0.0015 1730 LEU 4 CG 0.0020 -0.0119 -0.0022 1731 LEU 4 CD1 0.0011 -0.0124 -0.0016 1732 LEU 4 CD2 0.0019 -0.0124 -0.0032 1733 LEU 4 H 0.0029 -0.0101 -0.0002 1734 LEU 4 HA 0.0018 -0.0111 -0.0001 1735 LEU 4 HB3 0.0028 -0.0110 -0.0020 1736 LEU 4 HB2 0.0018 -0.0117 -0.0014 1737 LEU 4 HG 0.0024 -0.0115 -0.0024 1738 LEU 4 HD11 0.0009 -0.0128 -0.0021 1739 LEU 4 HD12 0.0012 -0.0120 -0.0009 1740 LEU 4 HD13 0.0007 -0.0127 -0.0014 1741 LEU 4 HD21 0.0017 -0.0128 -0.0037 1742 LEU 4 HD22 0.0014 -0.0127 -0.0030 1743 LEU 4 HD23 0.0025 -0.0120 -0.0036 1744 ASP 5 N 0.0058 -0.0106 0.0013 1745 ASP 5 CA 0.0064 -0.0097 0.0013 1746 ASP 5 C 0.0063 -0.0092 0.0006 1747 ASP 5 O 0.0061 -0.0096 0.0006 1748 ASP 5 CB 0.0070 -0.0096 0.0022 1749 ASP 5 CG 0.0072 -0.0097 0.0028 1750 ASP 5 OD1 0.0070 -0.0098 0.0025 1751 ASP 5 OD2 0.0076 -0.0099 0.0036 1752 ASP 5 H 0.0058 -0.0111 0.0015 1753 ASP 5 HA 0.0064 -0.0094 0.0010 1754 ASP 5 HB3 0.0073 -0.0089 0.0022 1755 ASP 5 HB2 0.0069 -0.0100 0.0025 1756 CYS 6 N 0.0064 -0.0084 0.0001 1757 CYS 6 CA 0.0064 -0.0078 -0.0005 1758 CYS 6 C 0.0069 -0.0069 -0.0004 1759 CYS 6 O 0.0073 -0.0066 -0.0001 1760 CYS 6 CB 0.0058 -0.0079 -0.0015 1761 CYS 6 SG 0.0051 -0.0089 -0.0017 1762 CYS 6 H 0.0066 -0.0082 0.0001 1763 CYS 6 HA 0.0063 -0.0081 -0.0003 1764 CYS 6 HB3 0.0058 -0.0074 -0.0019 1765 CYS 6 HB2 0.0059 -0.0075 -0.0017 1766 ASP 7 N 0.0071 -0.0070 0.0018 1767 ASP 7 CA 0.0107 -0.0012 0.0009 1768 ASP 7 C 0.0105 0.0001 -0.0065 1769 ASP 7 O 0.0077 -0.0032 -0.0109 1770 ASP 7 CB 0.0118 -0.0006 0.0058 1771 ASP 7 CG 0.0089 -0.0050 0.0048 1772 ASP 7 OD1 0.0057 -0.0089 0.0008 1773 ASP 7 OD2 0.0096 -0.0046 0.0081 1774 ASP 7 H 0.0048 -0.0103 0.0002 1775 ASP 7 HA 0.0130 0.0020 0.0021 1776 ASP 7 HB3 0.0123 -0.0011 0.0110 1777 ASP 7 HB2 0.0146 0.0038 0.0050 1778 GLU 8 N 0.0134 0.0050 -0.0080 1779 GLU 8 CA 0.0135 0.0067 -0.0149 1780 GLU 8 C 0.0102 0.0022 -0.0175 1781 GLU 8 O 0.0088 0.0015 -0.0236 1782 GLU 8 CB 0.0173 0.0126 -0.0151 1783 GLU 8 CG 0.0186 0.0132 -0.0092 1784 GLU 8 CD 0.0224 0.0192 -0.0095 1785 GLU 8 OE1 0.0239 0.0227 -0.0146 1786 GLU 8 OE2 0.0238 0.0203 -0.0048 1787 GLU 8 H 0.0157 0.0076 -0.0042 1788 GLU 8 HA 0.0133 0.0071 -0.0183 1789 GLU 8 HB3 0.0195 0.0161 -0.0151 1790 GLU 8 HB2 0.0171 0.0134 -0.0199 1791 GLU 8 HG3 0.0164 0.0099 -0.0093 1792 GLU 8 HG2 0.0188 0.0125 -0.0044 1793 HIS 9 N 0.0111 -0.0028 -0.0129 1794 HIS 9 CA 0.0071 -0.0087 -0.0151 1795 HIS 9 C 0.0031 -0.0143 -0.0154 1796 HIS 9 O -0.0008 -0.0195 -0.0136 1797 HIS 9 CB 0.0057 -0.0098 -0.0095 1798 HIS 9 CG 0.0095 -0.0043 -0.0081 1799 HIS 9 ND1 0.0106 -0.0016 -0.0009 1800 HIS 9 CD2 0.0124 -0.0010 -0.0131 1801 HIS 9 CE1 0.0141 0.0031 -0.0014 1802 HIS 9 NE2 0.0152 0.0035 -0.0088 1803 HIS 9 H 0.0116 -0.0013 -0.0073 1804 HIS 9 HA 0.0080 -0.0083 -0.0208 1805 HIS 9 HB3 0.0030 -0.0139 -0.0115 1806 HIS 9 HB2 0.0042 -0.0110 -0.0040 1807 HIS 9 HD1 0.0089 -0.0033 0.0038 1808 HIS 9 HD2 0.0121 -0.0023 -0.0192 1809 HIS 9 HE1 0.0154 0.0058 0.0037 1810 SER 10 N 0.0041 -0.0132 -0.0176 1811 SER 10 CA 0.0006 -0.0183 -0.0185 1812 SER 10 C 0.0009 -0.0191 -0.0269 1813 SER 10 O 0.0047 -0.0144 -0.0307 1814 SER 10 CB 0.0009 -0.0170 -0.0132 1815 SER 10 OG 0.0006 -0.0163 -0.0053 1816 SER 10 H 0.0074 -0.0088 -0.0187 1817 SER 10 HA -0.0027 -0.0227 -0.0170 1818 SER 10 HB3 -0.0018 -0.0209 -0.0140 1819 SER 10 HB2 0.0041 -0.0128 -0.0148 1820 SER 10 HG -0.0023 -0.0201 -0.0038 1821 SER 11 N -0.0008 -0.0292 -0.0331 1822 SER 11 CA 0.0022 -0.0306 -0.0366 1823 SER 11 C 0.0010 -0.0279 -0.0318 1824 SER 11 O 0.0002 -0.0293 -0.0337 1825 SER 11 CB -0.0016 -0.0355 -0.0427 1826 SER 11 OG -0.0095 -0.0367 -0.0410 1827 SER 11 H -0.0064 -0.0300 -0.0319 1828 SER 11 HA 0.0082 -0.0299 -0.0382 1829 SER 11 HB3 0.0001 -0.0373 -0.0463 1830 SER 11 HB2 0.0002 -0.0364 -0.0449 1831 SER 11 HG -0.0109 -0.0351 -0.0378 1832 GLU 12 N 0.0010 -0.0239 -0.0255 1833 GLU 12 CA -0.0004 -0.0209 -0.0202 1834 GLU 12 C 0.0062 -0.0187 -0.0196 1835 GLU 12 O 0.0122 -0.0162 -0.0184 1836 GLU 12 CB -0.0026 -0.0175 -0.0137 1837 GLU 12 CG -0.0040 -0.0141 -0.0078 1838 GLU 12 CD -0.0103 -0.0162 -0.0083 1839 GLU 12 OE1 -0.0169 -0.0178 -0.0079 1840 GLU 12 OE2 -0.0087 -0.0164 -0.0093 1841 GLU 12 H 0.0020 -0.0229 -0.0243 1842 GLU 12 HA -0.0052 -0.0228 -0.0210 1843 GLU 12 HB3 0.0017 -0.0158 -0.0131 1844 GLU 12 HB2 -0.0077 -0.0191 -0.0140 1845 GLU 12 HG3 0.0011 -0.0124 -0.0074 1846 GLU 12 HG2 -0.0053 -0.0117 -0.0033 1847 SER 13 N -0.0001 -0.0187 -0.0141 1848 SER 13 CA 0.0025 -0.0180 -0.0136 1849 SER 13 C 0.0027 -0.0158 -0.0109 1850 SER 13 O 0.0052 -0.0148 -0.0101 1851 SER 13 CB 0.0024 -0.0190 -0.0150 1852 SER 13 OG 0.0001 -0.0185 -0.0138 1853 SER 13 H -0.0021 -0.0193 -0.0145 1854 SER 13 HA 0.0046 -0.0182 -0.0143 1855 SER 13 HB3 0.0020 -0.0206 -0.0169 1856 SER 13 HB2 0.0047 -0.0187 -0.0149 1857 SER 13 HG 0.0005 -0.0171 -0.0122 1858 ARG 14 N 0.0001 -0.0150 -0.0095 1859 ARG 14 CA -0.0000 -0.0130 -0.0069 1860 ARG 14 C 0.0014 -0.0117 -0.0054 1861 ARG 14 O 0.0017 -0.0123 -0.0063 1862 ARG 14 CB -0.0033 -0.0125 -0.0057 1863 ARG 14 CG -0.0052 -0.0138 -0.0070 1864 ARG 14 CD -0.0068 -0.0126 -0.0052 1865 ARG 14 NE -0.0089 -0.0138 -0.0064 1866 ARG 14 CZ -0.0080 -0.0147 -0.0077 1867 ARG 14 NH1 -0.0051 -0.0145 -0.0080 1868 ARG 14 NH2 -0.0101 -0.0158 -0.0087 1869 ARG 14 H -0.0019 -0.0158 -0.0102 1870 ARG 14 HA 0.0013 -0.0126 -0.0066 1871 ARG 14 HB3 -0.0033 -0.0110 -0.0038 1872 ARG 14 HB2 -0.0046 -0.0126 -0.0056 1873 ARG 14 HG3 -0.0069 -0.0148 -0.0080 1874 ARG 14 HG2 -0.0037 -0.0146 -0.0083 1875 ARG 14 HD3 -0.0051 -0.0117 -0.0044 1876 ARG 14 HD2 -0.0080 -0.0116 -0.0038 1877 ARG 14 HE -0.0111 -0.0139 -0.0062 1878 ARG 14 HH12 -0.0044 -0.0152 -0.0090 1879 ARG 14 HH11 -0.0035 -0.0137 -0.0072 1880 ARG 14 HH22 -0.0095 -0.0164 -0.0097 1881 ARG 14 HH21 -0.0124 -0.0159 -0.0085 1882 CYS 15 N 0.0019 -0.0094 -0.0031 1883 CYS 15 CA 0.0029 -0.0089 -0.0021 1884 CYS 15 C 0.0027 -0.0088 -0.0014 1885 CYS 15 O 0.0017 -0.0092 -0.0009 1886 CYS 15 CB 0.0028 -0.0088 -0.0009 1887 CYS 15 SG 0.0039 -0.0081 0.0005 1888 CYS 15 H 0.0013 -0.0096 -0.0030 1889 CYS 15 HA 0.0039 -0.0086 -0.0026 1890 CYS 15 HB3 0.0017 -0.0091 -0.0004 1891 CYS 15 HB2 0.0029 -0.0088 -0.0013 1892 CYS 16 N 0.0038 -0.0084 -0.0015 1893 CYS 16 CA 0.0037 -0.0084 -0.0013 1894 CYS 16 C 0.0051 -0.0078 -0.0007 1895 CYS 16 O 0.0061 -0.0075 -0.0010 1896 CYS 16 CB 0.0034 -0.0088 -0.0026 1897 CYS 16 SG 0.0028 -0.0090 -0.0024 1898 CYS 16 H 0.0047 -0.0081 -0.0018 1899 CYS 16 HA 0.0030 -0.0086 -0.0004 1900 CYS 16 HB3 0.0042 -0.0085 -0.0034 1901 CYS 16 HB2 0.0026 -0.0091 -0.0032 1902 ARG 17 N 0.0083 -0.0081 -0.0008 1903 ARG 17 CA 0.0089 -0.0075 -0.0004 1904 ARG 17 C 0.0093 -0.0064 -0.0001 1905 ARG 17 O 0.0097 -0.0064 0.0003 1906 ARG 17 CB 0.0095 -0.0082 0.0004 1907 ARG 17 CG 0.0099 -0.0075 0.0008 1908 ARG 17 CD 0.0106 -0.0082 0.0016 1909 ARG 17 NE 0.0112 -0.0084 0.0023 1910 ARG 17 CZ 0.0120 -0.0085 0.0031 1911 ARG 17 NH1 0.0122 -0.0084 0.0033 1912 ARG 17 NH2 0.0125 -0.0087 0.0037 1913 ARG 17 H 0.0086 -0.0086 -0.0004 1914 ARG 17 HA 0.0085 -0.0072 -0.0008 1915 ARG 17 HB3 0.0099 -0.0083 0.0009 1916 ARG 17 HB2 0.0091 -0.0090 0.0003 1917 ARG 17 HG3 0.0095 -0.0074 0.0003 1918 ARG 17 HG2 0.0103 -0.0067 0.0009 1919 ARG 17 HD3 0.0102 -0.0091 0.0014 1920 ARG 17 HD2 0.0109 -0.0078 0.0018 1921 ARG 17 HE 0.0110 -0.0085 0.0021 1922 ARG 17 HH12 0.0128 -0.0084 0.0039 1923 ARG 17 HH11 0.0118 -0.0082 0.0029 1924 ARG 17 HH22 0.0131 -0.0087 0.0043 1925 ARG 17 HH21 0.0123 -0.0088 0.0035 1926 TYR 18 N 0.0092 -0.0054 -0.0005 1927 TYR 18 CA 0.0096 -0.0043 -0.0003 1928 TYR 18 C 0.0103 -0.0037 0.0003 1929 TYR 18 O 0.0103 -0.0040 0.0003 1930 TYR 18 CB 0.0090 -0.0034 -0.0012 1931 TYR 18 CG 0.0084 -0.0037 -0.0017 1932 TYR 18 CD1 0.0077 -0.0046 -0.0022 1933 TYR 18 CD2 0.0085 -0.0032 -0.0017 1934 TYR 18 CE1 0.0072 -0.0048 -0.0027 1935 TYR 18 CE2 0.0080 -0.0035 -0.0022 1936 TYR 18 CZ 0.0073 -0.0043 -0.0027 1937 TYR 18 OH 0.0068 -0.0046 -0.0032 1938 TYR 18 H 0.0089 -0.0054 -0.0008 1939 TYR 18 HA 0.0099 -0.0043 -0.0000 1940 TYR 18 HB3 0.0093 -0.0026 -0.0010 1941 TYR 18 HB2 0.0087 -0.0034 -0.0015 1942 TYR 18 HD1 0.0076 -0.0050 -0.0022 1943 TYR 18 HD2 0.0091 -0.0025 -0.0013 1944 TYR 18 HE1 0.0066 -0.0055 -0.0031 1945 TYR 18 HE2 0.0081 -0.0030 -0.0022 1946 TYR 18 HH 0.0063 -0.0052 -0.0035 1947 PRO 19 N 0.0120 0.0001 0.0060 1948 PRO 19 CA 0.0125 -0.0001 0.0060 1949 PRO 19 C 0.0099 0.0006 0.0058 1950 PRO 19 O 0.0082 0.0021 0.0061 1951 PRO 19 CB 0.0145 0.0019 0.0073 1952 PRO 19 CG 0.0139 0.0038 0.0080 1953 PRO 19 CD 0.0130 0.0024 0.0072 1954 PRO 19 HA 0.0133 -0.0019 0.0054 1955 PRO 19 HB3 0.0165 0.0010 0.0073 1956 PRO 19 HB2 0.0141 0.0027 0.0076 1957 PRO 19 HG3 0.0157 0.0046 0.0088 1958 PRO 19 HG2 0.0123 0.0051 0.0083 1959 PRO 19 HD2 0.0114 0.0035 0.0074 1960 PRO 19 HD3 0.0148 0.0018 0.0073 1961 LEU 20 N 0.0097 -0.0006 0.0052 1962 LEU 20 CA 0.0075 0.0000 0.0051 1963 LEU 20 C 0.0083 -0.0008 0.0048 1964 LEU 20 O 0.0087 -0.0030 0.0039 1965 LEU 20 CB 0.0050 -0.0011 0.0040 1966 LEU 20 CG 0.0027 -0.0008 0.0037 1967 LEU 20 CD1 0.0017 0.0020 0.0048 1968 LEU 20 CD2 0.0004 -0.0024 0.0026 1969 LEU 20 H 0.0111 -0.0020 0.0049 1970 LEU 20 HA 0.0071 0.0021 0.0059 1971 LEU 20 HB3 0.0055 -0.0031 0.0032 1972 LEU 20 HB2 0.0043 -0.0004 0.0043 1973 LEU 20 HG 0.0035 -0.0014 0.0036 1974 LEU 20 HD11 0.0001 0.0022 0.0045 1975 LEU 20 HD12 0.0033 0.0030 0.0056 1976 LEU 20 HD13 0.0010 0.0026 0.0049 1977 LEU 20 HD21 -0.0012 -0.0021 0.0024 1978 LEU 20 HD22 -0.0003 -0.0018 0.0026 1979 LEU 20 HD23 0.0012 -0.0043 0.0018 1980 THR 21 N 0.0067 0.0030 0.0110 1981 THR 21 CA 0.0067 0.0029 0.0109 1982 THR 21 C 0.0034 0.0032 0.0097 1983 THR 21 O 0.0013 0.0050 0.0101 1984 THR 21 CB 0.0080 0.0052 0.0132 1985 THR 21 OG1 0.0112 0.0048 0.0143 1986 THR 21 CG2 0.0079 0.0050 0.0130 1987 THR 21 H 0.0063 0.0048 0.0122 1988 THR 21 HA 0.0081 0.0010 0.0100 1989 THR 21 HB 0.0067 0.0071 0.0141 1990 THR 21 HG1 0.0112 0.0050 0.0144 1991 THR 21 HG21 0.0089 0.0066 0.0147 1992 THR 21 HG22 0.0055 0.0053 0.0122 1993 THR 21 HG23 0.0093 0.0031 0.0121 1994 VAL 22 N 0.0030 0.0013 0.0081 1995 VAL 22 CA -0.0000 0.0015 0.0069 1996 VAL 22 C -0.0000 0.0025 0.0077 1997 VAL 22 O 0.0019 0.0014 0.0077 1998 VAL 22 CB -0.0009 -0.0013 0.0045 1999 VAL 22 CG1 -0.0036 -0.0012 0.0033 2000 VAL 22 CG2 -0.0016 -0.0021 0.0036 2001 VAL 22 H 0.0048 -0.0002 0.0077 2002 VAL 22 HA -0.0018 0.0029 0.0072 2003 VAL 22 HB 0.0011 -0.0028 0.0042 2004 VAL 22 HG11 -0.0041 -0.0032 0.0016 2005 VAL 22 HG12 -0.0030 -0.0008 0.0039 2006 VAL 22 HG13 -0.0056 0.0003 0.0036 2007 VAL 22 HG21 -0.0022 -0.0040 0.0018 2008 VAL 22 HG22 -0.0036 -0.0006 0.0039 2009 VAL 22 HG23 0.0004 -0.0022 0.0043 2010 ASP 23 N -0.0028 0.0036 0.0093 2011 ASP 23 CA -0.0033 0.0045 0.0099 2012 ASP 23 C -0.0060 0.0039 0.0083 2013 ASP 23 O -0.0083 0.0049 0.0083 2014 ASP 23 CB -0.0036 0.0071 0.0121 2015 ASP 23 CG -0.0041 0.0081 0.0128 2016 ASP 23 OD1 -0.0022 0.0088 0.0142 2017 ASP 23 OD2 -0.0063 0.0081 0.0119 2018 ASP 23 H -0.0041 0.0044 0.0095 2019 ASP 23 HA -0.0015 0.0037 0.0099 2020 ASP 23 HB3 -0.0054 0.0079 0.0121 2021 ASP 23 HB2 -0.0017 0.0075 0.0132 2022 PHE 24 N -0.0056 0.0024 0.0071 2023 PHE 24 CA -0.0080 0.0016 0.0054 2024 PHE 24 C -0.0101 0.0034 0.0063 2025 PHE 24 O -0.0126 0.0035 0.0052 2026 PHE 24 CB -0.0068 -0.0005 0.0041 2027 PHE 24 CG -0.0051 -0.0025 0.0029 2028 PHE 24 CD1 -0.0063 -0.0035 0.0016 2029 PHE 24 CD2 -0.0023 -0.0035 0.0031 2030 PHE 24 CE1 -0.0048 -0.0053 0.0005 2031 PHE 24 CE2 -0.0008 -0.0054 0.0020 2032 PHE 24 CZ -0.0021 -0.0063 0.0007 2033 PHE 24 H -0.0036 0.0018 0.0073 2034 PHE 24 HA -0.0091 0.0010 0.0045 2035 PHE 24 HB3 -0.0086 -0.0009 0.0030 2036 PHE 24 HB2 -0.0055 0.0000 0.0050 2037 PHE 24 HD1 -0.0085 -0.0027 0.0014 2038 PHE 24 HD2 -0.0014 -0.0028 0.0041 2039 PHE 24 HE1 -0.0058 -0.0061 -0.0005 2040 PHE 24 HE2 0.0014 -0.0062 0.0022 2041 PHE 24 HZ -0.0008 -0.0078 -0.0002 2042 GLU 25 N -0.0090 0.0048 0.0084 2043 GLU 25 CA -0.0110 0.0067 0.0093 2044 GLU 25 C -0.0128 0.0084 0.0101 2045 GLU 25 O -0.0154 0.0092 0.0099 2046 GLU 25 CB -0.0093 0.0080 0.0112 2047 GLU 25 CG -0.0064 0.0066 0.0110 2048 GLU 25 CD -0.0049 0.0081 0.0129 2049 GLU 25 OE1 -0.0060 0.0089 0.0132 2050 GLU 25 OE2 -0.0026 0.0084 0.0142 2051 GLU 25 H -0.0068 0.0048 0.0092 2052 GLU 25 HA -0.0124 0.0060 0.0081 2053 GLU 25 HB3 -0.0107 0.0087 0.0113 2054 GLU 25 HB2 -0.0090 0.0095 0.0126 2055 GLU 25 HG3 -0.0051 0.0059 0.0109 2056 GLU 25 HG2 -0.0068 0.0052 0.0096 2057 ALA 26 N -0.0115 0.0088 0.0110 2058 ALA 26 CA -0.0130 0.0103 0.0118 2059 ALA 26 C -0.0152 0.0093 0.0100 2060 ALA 26 O -0.0169 0.0104 0.0104 2061 ALA 26 CB -0.0109 0.0109 0.0132 2062 ALA 26 H -0.0094 0.0081 0.0112 2063 ALA 26 HA -0.0142 0.0119 0.0128 2064 ALA 26 HB1 -0.0121 0.0121 0.0138 2065 ALA 26 HB2 -0.0094 0.0118 0.0145 2066 ALA 26 HB3 -0.0096 0.0094 0.0123 2067 PHE 27 N -0.0140 0.0081 0.0070 2068 PHE 27 CA -0.0162 0.0070 0.0050 2069 PHE 27 C -0.0180 0.0076 0.0044 2070 PHE 27 O -0.0203 0.0075 0.0030 2071 PHE 27 CB -0.0153 0.0042 0.0036 2072 PHE 27 CG -0.0138 0.0034 0.0040 2073 PHE 27 CD1 -0.0133 0.0052 0.0055 2074 PHE 27 CD2 -0.0128 0.0009 0.0029 2075 PHE 27 CE1 -0.0118 0.0045 0.0059 2076 PHE 27 CE2 -0.0114 0.0002 0.0032 2077 PHE 27 CZ -0.0109 0.0020 0.0047 2078 PHE 27 H -0.0125 0.0071 0.0073 2079 PHE 27 HA -0.0173 0.0079 0.0050 2080 PHE 27 HB3 -0.0170 0.0034 0.0021 2081 PHE 27 HB2 -0.0141 0.0033 0.0037 2082 PHE 27 HD1 -0.0140 0.0072 0.0065 2083 PHE 27 HD2 -0.0131 -0.0005 0.0017 2084 PHE 27 HE1 -0.0115 0.0059 0.0071 2085 PHE 27 HE2 -0.0107 -0.0017 0.0023 2086 PHE 27 HZ -0.0098 0.0015 0.0050 2087 GLY 28 N -0.0169 0.0083 0.0055 2088 GLY 28 CA -0.0184 0.0090 0.0051 2089 GLY 28 C -0.0179 0.0068 0.0039 2090 GLY 28 O -0.0191 0.0070 0.0033 2091 GLY 28 H -0.0150 0.0083 0.0066 2092 GLY 28 HA3 -0.0205 0.0097 0.0044 2093 GLY 28 HA2 -0.0178 0.0105 0.0065 2094 TRP 29 N -0.0143 0.0027 0.0019 2095 TRP 29 CA -0.0138 -0.0001 0.0008 2096 TRP 29 C -0.0116 -0.0005 0.0012 2097 TRP 29 O -0.0091 -0.0011 0.0014 2098 TRP 29 CB -0.0130 -0.0018 0.0003 2099 TRP 29 CG -0.0150 -0.0016 -0.0000 2100 TRP 29 CD1 -0.0175 -0.0001 0.0000 2101 TRP 29 CD2 -0.0146 -0.0029 -0.0004 2102 TRP 29 NE1 -0.0188 -0.0004 -0.0003 2103 TRP 29 CE2 -0.0170 -0.0021 -0.0006 2104 TRP 29 CE3 -0.0125 -0.0046 -0.0007 2105 TRP 29 CZ2 -0.0173 -0.0030 -0.0011 2106 TRP 29 CZ3 -0.0128 -0.0055 -0.0011 2107 TRP 29 CH2 -0.0152 -0.0047 -0.0013 2108 TRP 29 H -0.0135 0.0033 0.0023 2109 TRP 29 HA -0.0158 -0.0008 0.0002 2110 TRP 29 HB3 -0.0127 -0.0039 -0.0004 2111 TRP 29 HB2 -0.0109 -0.0013 0.0010 2112 TRP 29 HD1 -0.0183 0.0010 0.0003 2113 TRP 29 HE1 -0.0207 0.0005 -0.0004 2114 TRP 29 HE3 -0.0106 -0.0052 -0.0005 2115 TRP 29 HZ2 -0.0192 -0.0024 -0.0012 2116 TRP 29 HZ3 -0.0112 -0.0068 -0.0013 2117 TRP 29 HH2 -0.0154 -0.0055 -0.0016 2118 ASP 30 N -0.0124 -0.0002 0.0011 2119 ASP 30 CA -0.0103 -0.0004 0.0015 2120 ASP 30 C -0.0093 -0.0033 0.0005 2121 ASP 30 O -0.0072 -0.0039 0.0007 2122 ASP 30 CB -0.0115 0.0009 0.0017 2123 ASP 30 CG -0.0140 -0.0005 0.0007 2124 ASP 30 OD1 -0.0140 -0.0010 0.0005 2125 ASP 30 OD2 -0.0159 -0.0010 0.0000 2126 ASP 30 H -0.0145 0.0002 0.0008 2127 ASP 30 HA -0.0085 0.0006 0.0023 2128 ASP 30 HB3 -0.0121 0.0030 0.0024 2129 ASP 30 HB2 -0.0098 0.0009 0.0021 2130 TRP 31 N -0.0069 -0.0052 -0.0009 2131 TRP 31 CA -0.0066 -0.0066 -0.0008 2132 TRP 31 C -0.0058 -0.0072 -0.0006 2133 TRP 31 O -0.0053 -0.0083 -0.0004 2134 TRP 31 CB -0.0078 -0.0074 -0.0011 2135 TRP 31 CG -0.0088 -0.0072 -0.0014 2136 TRP 31 CD1 -0.0097 -0.0062 -0.0017 2137 TRP 31 CD2 -0.0090 -0.0080 -0.0015 2138 TRP 31 NE1 -0.0104 -0.0064 -0.0019 2139 TRP 31 CE2 -0.0100 -0.0074 -0.0018 2140 TRP 31 CE3 -0.0084 -0.0091 -0.0013 2141 TRP 31 CZ2 -0.0105 -0.0080 -0.0019 2142 TRP 31 CZ3 -0.0088 -0.0096 -0.0014 2143 TRP 31 CH2 -0.0098 -0.0091 -0.0017 2144 TRP 31 H -0.0078 -0.0050 -0.0011 2145 TRP 31 HA -0.0060 -0.0067 -0.0006 2146 TRP 31 HB3 -0.0082 -0.0072 -0.0013 2147 TRP 31 HB2 -0.0076 -0.0085 -0.0011 2148 TRP 31 HD1 -0.0097 -0.0055 -0.0017 2149 TRP 31 HE1 -0.0111 -0.0057 -0.0021 2150 TRP 31 HE3 -0.0076 -0.0096 -0.0011 2151 TRP 31 HZ2 -0.0112 -0.0075 -0.0021 2152 TRP 31 HZ3 -0.0084 -0.0105 -0.0013 2153 TRP 31 HH2 -0.0101 -0.0095 -0.0018 2154 ILE 32 N -0.0057 -0.0065 -0.0005 2155 ILE 32 CA -0.0048 -0.0068 -0.0003 2156 ILE 32 C -0.0035 -0.0061 0.0001 2157 ILE 32 O -0.0035 -0.0049 0.0001 2158 ILE 32 CB -0.0053 -0.0065 -0.0004 2159 ILE 32 CG1 -0.0063 -0.0075 -0.0007 2160 ILE 32 CG2 -0.0042 -0.0066 -0.0001 2161 ILE 32 CD1 -0.0072 -0.0070 -0.0010 2162 ILE 32 H -0.0062 -0.0057 -0.0007 2163 ILE 32 HA -0.0046 -0.0079 -0.0002 2164 ILE 32 HB -0.0057 -0.0055 -0.0005 2165 ILE 32 HG13 -0.0069 -0.0077 -0.0009 2166 ILE 32 HG12 -0.0059 -0.0084 -0.0006 2167 ILE 32 HG21 -0.0046 -0.0063 -0.0002 2168 ILE 32 HG22 -0.0034 -0.0059 0.0001 2169 ILE 32 HG23 -0.0038 -0.0076 0.0000 2170 ILE 32 HD11 -0.0079 -0.0077 -0.0012 2171 ILE 32 HD12 -0.0076 -0.0061 -0.0011 2172 ILE 32 HD13 -0.0066 -0.0068 -0.0008 2173 ILE 33 N -0.0060 -0.0083 0.0014 2174 ILE 33 CA -0.0065 -0.0084 0.0016 2175 ILE 33 C -0.0051 -0.0080 0.0022 2176 ILE 33 O -0.0053 -0.0080 0.0034 2177 ILE 33 CB -0.0071 -0.0086 -0.0001 2178 ILE 33 CG1 -0.0085 -0.0089 -0.0007 2179 ILE 33 CG2 -0.0075 -0.0087 0.0001 2180 ILE 33 CD1 -0.0089 -0.0091 -0.0026 2181 ILE 33 H -0.0056 -0.0082 0.0003 2182 ILE 33 HA -0.0075 -0.0086 0.0025 2183 ILE 33 HB -0.0061 -0.0084 -0.0010 2184 ILE 33 HG13 -0.0084 -0.0089 -0.0005 2185 ILE 33 HG12 -0.0096 -0.0092 -0.0000 2186 ILE 33 HG21 -0.0079 -0.0088 -0.0011 2187 ILE 33 HG22 -0.0064 -0.0084 0.0005 2188 ILE 33 HG23 -0.0084 -0.0088 0.0010 2189 ILE 33 HD11 -0.0100 -0.0094 -0.0029 2190 ILE 33 HD12 -0.0079 -0.0089 -0.0033 2191 ILE 33 HD13 -0.0091 -0.0092 -0.0028 2192 ALA 34 N -0.0036 -0.0077 0.0015 2193 ALA 34 CA -0.0022 -0.0073 0.0020 2194 ALA 34 C -0.0007 -0.0070 0.0015 2195 ALA 34 O -0.0007 -0.0071 0.0002 2196 ALA 34 CB -0.0021 -0.0074 0.0012 2197 ALA 34 H -0.0036 -0.0077 0.0005 2198 ALA 34 HA -0.0022 -0.0073 0.0033 2199 ALA 34 HB1 -0.0010 -0.0071 0.0016 2200 ALA 34 HB2 -0.0032 -0.0076 0.0016 2201 ALA 34 HB3 -0.0021 -0.0074 -0.0002 2202 PRO 35 N 0.0029 -0.0070 0.0036 2203 PRO 35 CA 0.0036 -0.0049 0.0055 2204 PRO 35 C 0.0012 -0.0033 0.0065 2205 PRO 35 O -0.0008 -0.0038 0.0057 2206 PRO 35 CB 0.0056 -0.0049 0.0059 2207 PRO 35 CG 0.0049 -0.0064 0.0045 2208 PRO 35 CD 0.0038 -0.0081 0.0029 2209 PRO 35 HA 0.0044 -0.0046 0.0059 2210 PRO 35 HB3 0.0076 -0.0055 0.0058 2211 PRO 35 HB2 0.0055 -0.0034 0.0072 2212 PRO 35 HG3 0.0066 -0.0071 0.0043 2213 PRO 35 HG2 0.0033 -0.0057 0.0049 2214 PRO 35 HD2 0.0021 -0.0085 0.0021 2215 PRO 35 HD3 0.0053 -0.0093 0.0021 2216 LYS 36 N 0.0015 -0.0014 0.0082 2217 LYS 36 CA -0.0006 0.0002 0.0092 2218 LYS 36 C -0.0005 0.0009 0.0098 2219 LYS 36 O -0.0024 0.0017 0.0101 2220 LYS 36 CB -0.0003 0.0021 0.0108 2221 LYS 36 CG -0.0004 0.0016 0.0104 2222 LYS 36 CD -0.0032 0.0011 0.0095 2223 LYS 36 CE -0.0033 0.0006 0.0090 2224 LYS 36 NZ -0.0057 -0.0005 0.0076 2225 LYS 36 H 0.0032 -0.0011 0.0088 2226 LYS 36 HA -0.0025 -0.0003 0.0084 2227 LYS 36 HB3 -0.0019 0.0033 0.0116 2228 LYS 36 HB2 0.0015 0.0027 0.0117 2229 LYS 36 HG3 0.0001 0.0028 0.0116 2230 LYS 36 HG2 0.0010 0.0002 0.0095 2231 LYS 36 HD3 -0.0037 -0.0001 0.0083 2232 LYS 36 HD2 -0.0046 0.0025 0.0104 2233 LYS 36 HE3 -0.0034 0.0020 0.0102 2234 LYS 36 HE2 -0.0015 -0.0003 0.0085 2235 LYS 36 HZ1 -0.0055 -0.0018 0.0065 2236 LYS 36 HZ2 -0.0057 -0.0008 0.0074 2237 LYS 36 HZ3 -0.0073 0.0004 0.0081 2238 ARG 37 N 0.0035 0.0013 0.0099 2239 ARG 37 CA 0.0043 0.0015 0.0104 2240 ARG 37 C 0.0070 -0.0006 0.0094 2241 ARG 37 O 0.0088 -0.0017 0.0091 2242 ARG 37 CB 0.0053 0.0038 0.0131 2243 ARG 37 CG 0.0027 0.0061 0.0143 2244 ARG 37 CD 0.0038 0.0081 0.0169 2245 ARG 37 NE 0.0064 0.0085 0.0184 2246 ARG 37 CZ 0.0061 0.0099 0.0196 2247 ARG 37 NH1 0.0033 0.0109 0.0195 2248 ARG 37 NH2 0.0087 0.0101 0.0209 2249 ARG 37 H 0.0052 0.0004 0.0097 2250 ARG 37 HA 0.0023 0.0015 0.0095 2251 ARG 37 HB3 0.0064 0.0037 0.0134 2252 ARG 37 HB2 0.0072 0.0038 0.0140 2253 ARG 37 HG3 0.0021 0.0065 0.0144 2254 ARG 37 HG2 0.0007 0.0059 0.0133 2255 ARG 37 HD3 0.0019 0.0098 0.0177 2256 ARG 37 HD2 0.0045 0.0078 0.0168 2257 ARG 37 HE 0.0086 0.0077 0.0184 2258 ARG 37 HH12 0.0031 0.0119 0.0204 2259 ARG 37 HH11 0.0014 0.0107 0.0184 2260 ARG 37 HH22 0.0084 0.0111 0.0219 2261 ARG 37 HH21 0.0108 0.0093 0.0210 2262 TYR 38 N 0.0073 -0.0011 0.0091 2263 TYR 38 CA 0.0099 -0.0030 0.0083 2264 TYR 38 C 0.0102 -0.0027 0.0086 2265 TYR 38 O 0.0079 -0.0016 0.0088 2266 TYR 38 CB 0.0096 -0.0054 0.0057 2267 TYR 38 CG 0.0076 -0.0064 0.0039 2268 TYR 38 CD1 0.0044 -0.0056 0.0033 2269 TYR 38 CD2 0.0090 -0.0081 0.0027 2270 TYR 38 CE1 0.0026 -0.0065 0.0016 2271 TYR 38 CE2 0.0072 -0.0090 0.0010 2272 TYR 38 CZ 0.0040 -0.0082 0.0005 2273 TYR 38 OH 0.0022 -0.0090 -0.0011 2274 TYR 38 H 0.0058 -0.0001 0.0094 2275 TYR 38 HA 0.0121 -0.0028 0.0094 2276 TYR 38 HB3 0.0086 -0.0054 0.0053 2277 TYR 38 HB2 0.0119 -0.0067 0.0054 2278 TYR 38 HD1 0.0033 -0.0042 0.0042 2279 TYR 38 HD2 0.0115 -0.0088 0.0031 2280 TYR 38 HE1 0.0001 -0.0058 0.0012 2281 TYR 38 HE2 0.0083 -0.0104 0.0001 2282 TYR 38 HH 0.0034 -0.0103 -0.0019 2283 LYS 39 N 0.0136 -0.0030 0.0078 2284 LYS 39 CA 0.0138 -0.0030 0.0079 2285 LYS 39 C 0.0125 -0.0055 0.0054 2286 LYS 39 O 0.0140 -0.0080 0.0042 2287 LYS 39 CB 0.0173 -0.0033 0.0092 2288 LYS 39 CG 0.0186 -0.0008 0.0118 2289 LYS 39 CD 0.0221 -0.0011 0.0131 2290 LYS 39 CE 0.0245 -0.0015 0.0139 2291 LYS 39 NZ 0.0247 -0.0043 0.0119 2292 LYS 39 H 0.0156 -0.0041 0.0079 2293 LYS 39 HA 0.0123 -0.0010 0.0087 2294 LYS 39 HB3 0.0175 -0.0037 0.0090 2295 LYS 39 HB2 0.0189 -0.0053 0.0085 2296 LYS 39 HG3 0.0185 -0.0004 0.0120 2297 LYS 39 HG2 0.0171 0.0012 0.0125 2298 LYS 39 HD3 0.0223 0.0007 0.0146 2299 LYS 39 HD2 0.0227 -0.0030 0.0120 2300 LYS 39 HE3 0.0237 0.0002 0.0149 2301 LYS 39 HE2 0.0269 -0.0015 0.0150 2302 LYS 39 HZ1 0.0225 -0.0045 0.0107 2303 LYS 39 HZ2 0.0260 -0.0060 0.0112 2304 LYS 39 HZ3 0.0259 -0.0043 0.0124 2305 ALA 40 N 0.0096 -0.0047 0.0047 2306 ALA 40 CA 0.0080 -0.0068 0.0024 2307 ALA 40 C 0.0088 -0.0074 0.0023 2308 ALA 40 O 0.0090 -0.0098 0.0006 2309 ALA 40 CB 0.0043 -0.0058 0.0015 2310 ALA 40 H 0.0084 -0.0026 0.0058 2311 ALA 40 HA 0.0088 -0.0088 0.0013 2312 ALA 40 HB1 0.0031 -0.0074 -0.0002 2313 ALA 40 HB2 0.0037 -0.0055 0.0015 2314 ALA 40 HB3 0.0034 -0.0037 0.0026 2315 ASN 41 N 0.0089 -0.0058 0.0023 2316 ASN 41 CA 0.0089 -0.0059 0.0022 2317 ASN 41 C 0.0072 -0.0063 0.0011 2318 ASN 41 O 0.0061 -0.0066 0.0004 2319 ASN 41 CB 0.0105 -0.0074 0.0022 2320 ASN 41 CG 0.0122 -0.0072 0.0032 2321 ASN 41 OD1 0.0128 -0.0059 0.0043 2322 ASN 41 ND2 0.0130 -0.0085 0.0030 2323 ASN 41 H 0.0090 -0.0046 0.0030 2324 ASN 41 HA 0.0091 -0.0047 0.0030 2325 ASN 41 HB3 0.0106 -0.0073 0.0023 2326 ASN 41 HB2 0.0102 -0.0086 0.0014 2327 ASN 41 HD22 0.0141 -0.0084 0.0036 2328 ASN 41 HD21 0.0124 -0.0095 0.0021 2329 TYR 42 N 0.0070 -0.0063 0.0010 2330 TYR 42 CA 0.0054 -0.0068 -0.0001 2331 TYR 42 C 0.0058 -0.0073 -0.0002 2332 TYR 42 O 0.0070 -0.0070 0.0007 2333 TYR 42 CB 0.0038 -0.0053 -0.0001 2334 TYR 42 CG 0.0038 -0.0037 0.0007 2335 TYR 42 CD1 0.0048 -0.0026 0.0019 2336 TYR 42 CD2 0.0028 -0.0034 0.0004 2337 TYR 42 CE1 0.0048 -0.0011 0.0027 2338 TYR 42 CE2 0.0028 -0.0020 0.0012 2339 TYR 42 CZ 0.0038 -0.0008 0.0023 2340 TYR 42 OH 0.0038 0.0006 0.0031 2341 TYR 42 H 0.0079 -0.0060 0.0016 2342 TYR 42 HA 0.0052 -0.0079 -0.0008 2343 TYR 42 HB3 0.0036 -0.0049 -0.0000 2344 TYR 42 HB2 0.0026 -0.0058 -0.0010 2345 TYR 42 HD1 0.0056 -0.0028 0.0022 2346 TYR 42 HD2 0.0020 -0.0043 -0.0005 2347 TYR 42 HE1 0.0056 -0.0002 0.0036 2348 TYR 42 HE2 0.0020 -0.0017 0.0009 2349 TYR 42 HH 0.0027 0.0008 0.0027 2350 CYS 43 N 0.0052 -0.0065 -0.0011 2351 CYS 43 CA 0.0052 -0.0070 -0.0013 2352 CYS 43 C 0.0049 -0.0066 -0.0016 2353 CYS 43 O 0.0044 -0.0062 -0.0018 2354 CYS 43 CB 0.0051 -0.0076 -0.0017 2355 CYS 43 SG 0.0055 -0.0080 -0.0015 2356 CYS 43 H 0.0049 -0.0065 -0.0014 2357 CYS 43 HA 0.0056 -0.0071 -0.0010 2358 CYS 43 HB3 0.0051 -0.0079 -0.0019 2359 CYS 43 HB2 0.0047 -0.0074 -0.0021 2360 SER 44 N 0.0050 -0.0067 -0.0014 2361 SER 44 CA 0.0047 -0.0064 -0.0017 2362 SER 44 C 0.0049 -0.0068 -0.0016 2363 SER 44 O 0.0053 -0.0070 -0.0013 2364 SER 44 CB 0.0046 -0.0057 -0.0014 2365 SER 44 OG 0.0043 -0.0054 -0.0015 2366 SER 44 H 0.0054 -0.0070 -0.0012 2367 SER 44 HA 0.0043 -0.0064 -0.0021 2368 SER 44 HB3 0.0050 -0.0056 -0.0009 2369 SER 44 HB2 0.0045 -0.0054 -0.0014 2370 SER 44 HG 0.0040 -0.0052 -0.0018 2371 GLY 45 N 0.0065 -0.0096 -0.0044 2372 GLY 45 CA 0.0050 -0.0111 -0.0052 2373 GLY 45 C 0.0062 -0.0105 -0.0050 2374 GLY 45 O 0.0082 -0.0086 -0.0041 2375 GLY 45 H 0.0088 -0.0090 -0.0046 2376 GLY 45 HA3 0.0026 -0.0111 -0.0043 2377 GLY 45 HA2 0.0050 -0.0130 -0.0068 2378 GLN 46 N 0.0051 -0.0120 -0.0060 2379 GLN 46 CA 0.0061 -0.0117 -0.0060 2380 GLN 46 C 0.0045 -0.0100 -0.0040 2381 GLN 46 O 0.0019 -0.0099 -0.0029 2382 GLN 46 CB 0.0054 -0.0141 -0.0079 2383 GLN 46 CG 0.0067 -0.0161 -0.0101 2384 GLN 46 CD 0.0101 -0.0154 -0.0107 2385 GLN 46 OE1 0.0112 -0.0153 -0.0110 2386 GLN 46 NE2 0.0118 -0.0150 -0.0109 2387 GLN 46 H 0.0034 -0.0135 -0.0067 2388 GLN 46 HA 0.0085 -0.0110 -0.0062 2389 GLN 46 HB3 0.0062 -0.0139 -0.0080 2390 GLN 46 HB2 0.0030 -0.0148 -0.0077 2391 GLN 46 HG3 0.0061 -0.0177 -0.0114 2392 GLN 46 HG2 0.0057 -0.0165 -0.0101 2393 GLN 46 HE22 0.0140 -0.0145 -0.0113 2394 GLN 46 HE21 0.0108 -0.0151 -0.0107 2395 CYS 47 N 0.0034 -0.0082 -0.0014 2396 CYS 47 CA 0.0022 -0.0066 0.0001 2397 CYS 47 C 0.0026 -0.0067 -0.0001 2398 CYS 47 O 0.0045 -0.0058 0.0005 2399 CYS 47 CB 0.0034 -0.0045 0.0017 2400 CYS 47 SG 0.0024 -0.0039 0.0023 2401 CYS 47 H 0.0053 -0.0085 -0.0017 2402 CYS 47 HA 0.0001 -0.0067 0.0002 2403 CYS 47 HB3 0.0028 -0.0033 0.0027 2404 CYS 47 HB2 0.0055 -0.0045 0.0015 2405 GLU 48 N 0.0009 -0.0079 -0.0009 2406 GLU 48 CA 0.0011 -0.0082 -0.0011 2407 GLU 48 C -0.0011 -0.0072 -0.0001 2408 GLU 48 O -0.0032 -0.0069 0.0003 2409 GLU 48 CB 0.0012 -0.0105 -0.0030 2410 GLU 48 CG 0.0037 -0.0113 -0.0040 2411 GLU 48 CD 0.0034 -0.0136 -0.0058 2412 GLU 48 OE1 0.0013 -0.0146 -0.0064 2413 GLU 48 OE2 0.0052 -0.0144 -0.0066 2414 GLU 48 H -0.0006 -0.0086 -0.0013 2415 GLU 48 HA 0.0030 -0.0074 -0.0007 2416 GLU 48 HB3 0.0011 -0.0107 -0.0032 2417 GLU 48 HB2 -0.0005 -0.0113 -0.0035 2418 GLU 48 HG3 0.0043 -0.0105 -0.0033 2419 GLU 48 HG2 0.0053 -0.0111 -0.0039 2420 TYR 49 N 0.0001 -0.0062 0.0005 2421 TYR 49 CA -0.0011 -0.0061 0.0012 2422 TYR 49 C -0.0019 -0.0046 0.0026 2423 TYR 49 O -0.0009 -0.0033 0.0031 2424 TYR 49 CB -0.0026 -0.0076 0.0008 2425 TYR 49 CG -0.0018 -0.0091 -0.0006 2426 TYR 49 CD1 -0.0012 -0.0093 -0.0011 2427 TYR 49 CD2 -0.0017 -0.0102 -0.0014 2428 TYR 49 CE1 -0.0005 -0.0106 -0.0023 2429 TYR 49 CE2 -0.0010 -0.0115 -0.0027 2430 TYR 49 CZ -0.0004 -0.0117 -0.0031 2431 TYR 49 OH 0.0003 -0.0130 -0.0044 2432 TYR 49 H 0.0013 -0.0063 -0.0002 2433 TYR 49 HA -0.0004 -0.0059 0.0010 2434 TYR 49 HB3 -0.0035 -0.0075 0.0013 2435 TYR 49 HB2 -0.0034 -0.0078 0.0010 2436 TYR 49 HD1 -0.0012 -0.0085 -0.0004 2437 TYR 49 HD2 -0.0022 -0.0100 -0.0011 2438 TYR 49 HE1 -0.0000 -0.0108 -0.0027 2439 TYR 49 HE2 -0.0010 -0.0123 -0.0033 2440 TYR 49 HH 0.0006 -0.0130 -0.0045 2441 MET 50 N -0.0037 -0.0049 0.0033 2442 MET 50 CA -0.0045 -0.0035 0.0046 2443 MET 50 C -0.0055 -0.0036 0.0051 2444 MET 50 O -0.0065 -0.0026 0.0062 2445 MET 50 CB -0.0058 -0.0035 0.0052 2446 MET 50 CG -0.0049 -0.0035 0.0048 2447 MET 50 SD -0.0064 -0.0035 0.0055 2448 MET 50 CE -0.0068 -0.0015 0.0071 2449 MET 50 H -0.0044 -0.0060 0.0028 2450 MET 50 HA -0.0035 -0.0024 0.0049 2451 MET 50 HB3 -0.0063 -0.0024 0.0062 2452 MET 50 HB2 -0.0069 -0.0045 0.0051 2453 MET 50 HG3 -0.0044 -0.0046 0.0038 2454 MET 50 HG2 -0.0037 -0.0025 0.0050 2455 MET 50 HE1 -0.0077 -0.0013 0.0077 2456 MET 50 HE2 -0.0073 -0.0014 0.0074 2457 MET 50 HE3 -0.0055 -0.0006 0.0071 2458 PHE 51 N -0.0053 -0.0061 0.0023 2459 PHE 51 CA -0.0057 -0.0066 0.0014 2460 PHE 51 C -0.0043 -0.0060 0.0025 2461 PHE 51 O -0.0023 -0.0058 0.0031 2462 PHE 51 CB -0.0051 -0.0079 -0.0008 2463 PHE 51 CG -0.0065 -0.0086 -0.0021 2464 PHE 51 CD1 -0.0089 -0.0084 -0.0019 2465 PHE 51 CD2 -0.0054 -0.0094 -0.0033 2466 PHE 51 CE1 -0.0102 -0.0090 -0.0030 2467 PHE 51 CE2 -0.0067 -0.0100 -0.0045 2468 PHE 51 CZ -0.0091 -0.0098 -0.0043 2469 PHE 51 H -0.0045 -0.0067 0.0014 2470 PHE 51 HA -0.0075 -0.0065 0.0015 2471 PHE 51 HB3 -0.0053 -0.0083 -0.0014 2472 PHE 51 HB2 -0.0032 -0.0081 -0.0010 2473 PHE 51 HD1 -0.0097 -0.0078 -0.0009 2474 PHE 51 HD2 -0.0036 -0.0095 -0.0035 2475 PHE 51 HE1 -0.0121 -0.0088 -0.0028 2476 PHE 51 HE2 -0.0059 -0.0106 -0.0055 2477 PHE 51 HZ -0.0102 -0.0102 -0.0052 2478 MET 52 N -0.0054 -0.0059 0.0027 2479 MET 52 CA -0.0043 -0.0055 0.0035 2480 MET 52 C -0.0032 -0.0043 0.0056 2481 MET 52 O -0.0015 -0.0041 0.0061 2482 MET 52 CB -0.0024 -0.0064 0.0020 2483 MET 52 CG -0.0031 -0.0076 -0.0002 2484 MET 52 SD -0.0057 -0.0079 -0.0008 2485 MET 52 CE -0.0045 -0.0079 -0.0008 2486 MET 52 H -0.0071 -0.0060 0.0024 2487 MET 52 HA -0.0056 -0.0054 0.0036 2488 MET 52 HB3 -0.0020 -0.0062 0.0024 2489 MET 52 HB2 -0.0008 -0.0063 0.0023 2490 MET 52 HG3 -0.0017 -0.0082 -0.0011 2491 MET 52 HG2 -0.0035 -0.0078 -0.0006 2492 MET 52 HE1 -0.0059 -0.0081 -0.0012 2493 MET 52 HE2 -0.0032 -0.0086 -0.0019 2494 MET 52 HE3 -0.0038 -0.0071 0.0007 2495 GLN 53 N -0.0027 -0.0003 0.0036 2496 GLN 53 CA -0.0021 0.0001 0.0053 2497 GLN 53 C -0.0029 0.0008 0.0058 2498 GLN 53 O -0.0043 0.0014 0.0053 2499 GLN 53 CB -0.0022 0.0006 0.0063 2500 GLN 53 CG -0.0011 -0.0002 0.0061 2501 GLN 53 CD -0.0013 0.0003 0.0071 2502 GLN 53 OE1 -0.0018 0.0012 0.0083 2503 GLN 53 NE2 -0.0008 -0.0001 0.0066 2504 GLN 53 H -0.0036 0.0002 0.0032 2505 GLN 53 HA -0.0009 -0.0006 0.0054 2506 GLN 53 HB3 -0.0021 0.0010 0.0076 2507 GLN 53 HB2 -0.0034 0.0011 0.0060 2508 GLN 53 HG3 -0.0013 -0.0006 0.0048 2509 GLN 53 HG2 -0.0000 -0.0007 0.0064 2510 GLN 53 HE22 -0.0009 0.0002 0.0072 2511 GLN 53 HE21 -0.0004 -0.0008 0.0056 2512 LYS 54 N -0.0021 0.0007 0.0068 2513 LYS 54 CA -0.0026 0.0013 0.0074 2514 LYS 54 C -0.0028 0.0021 0.0092 2515 LYS 54 O -0.0039 0.0029 0.0096 2516 LYS 54 CB -0.0015 0.0005 0.0073 2517 LYS 54 CG -0.0017 0.0010 0.0082 2518 LYS 54 CD -0.0005 0.0002 0.0080 2519 LYS 54 CE -0.0008 0.0006 0.0086 2520 LYS 54 NZ 0.0005 -0.0001 0.0087 2521 LYS 54 H -0.0010 0.0002 0.0072 2522 LYS 54 HA -0.0037 0.0016 0.0067 2523 LYS 54 HB3 -0.0004 -0.0000 0.0076 2524 LYS 54 HB2 -0.0016 0.0001 0.0060 2525 LYS 54 HG3 -0.0028 0.0015 0.0078 2526 LYS 54 HG2 -0.0015 0.0015 0.0095 2527 LYS 54 HD3 0.0006 -0.0002 0.0086 2528 LYS 54 HD2 -0.0004 -0.0003 0.0067 2529 LYS 54 HE3 -0.0017 0.0009 0.0077 2530 LYS 54 HE2 -0.0011 0.0013 0.0097 2531 LYS 54 HZ1 0.0011 -0.0008 0.0078 2532 LYS 54 HZ2 0.0013 -0.0001 0.0098 2533 LYS 54 HZ3 0.0002 0.0001 0.0087 2534 TYR 55 N -0.0000 0.0044 0.0100 2535 TYR 55 CA 0.0002 0.0048 0.0098 2536 TYR 55 C 0.0006 0.0044 0.0094 2537 TYR 55 O 0.0009 0.0041 0.0091 2538 TYR 55 CB 0.0005 0.0055 0.0098 2539 TYR 55 CG 0.0001 0.0059 0.0102 2540 TYR 55 CD1 -0.0003 0.0060 0.0106 2541 TYR 55 CD2 0.0002 0.0063 0.0103 2542 TYR 55 CE1 -0.0007 0.0064 0.0111 2543 TYR 55 CE2 -0.0001 0.0067 0.0107 2544 TYR 55 CZ -0.0006 0.0068 0.0111 2545 TYR 55 OH -0.0009 0.0072 0.0115 2546 TYR 55 H 0.0002 0.0044 0.0098 2547 TYR 55 HA -0.0001 0.0048 0.0101 2548 TYR 55 HB3 0.0008 0.0057 0.0096 2549 TYR 55 HB2 0.0008 0.0054 0.0096 2550 TYR 55 HD1 -0.0004 0.0057 0.0106 2551 TYR 55 HD2 0.0006 0.0063 0.0100 2552 TYR 55 HE1 -0.0010 0.0064 0.0114 2553 TYR 55 HE2 -0.0001 0.0070 0.0107 2554 TYR 55 HH -0.0011 0.0073 0.0117 2555 PRO 56 N 0.0006 0.0044 0.0094 2556 PRO 56 CA 0.0010 0.0041 0.0090 2557 PRO 56 C 0.0016 0.0043 0.0086 2558 PRO 56 O 0.0019 0.0040 0.0082 2559 PRO 56 CB 0.0008 0.0042 0.0092 2560 PRO 56 CG 0.0006 0.0048 0.0096 2561 PRO 56 CD 0.0003 0.0048 0.0098 2562 PRO 56 HA 0.0009 0.0035 0.0089 2563 PRO 56 HB3 0.0005 0.0038 0.0093 2564 PRO 56 HB2 0.0012 0.0043 0.0089 2565 PRO 56 HG3 0.0003 0.0048 0.0098 2566 PRO 56 HG2 0.0009 0.0053 0.0094 2567 PRO 56 HD2 0.0003 0.0053 0.0099 2568 PRO 56 HD3 -0.0001 0.0045 0.0100 2569 HIS 57 N 0.0009 0.0059 0.0058 2570 HIS 57 CA 0.0013 0.0064 0.0049 2571 HIS 57 C 0.0015 0.0060 0.0048 2572 HIS 57 O 0.0022 0.0059 0.0040 2573 HIS 57 CB 0.0008 0.0077 0.0049 2574 HIS 57 CG 0.0012 0.0083 0.0040 2575 HIS 57 ND1 0.0012 0.0085 0.0039 2576 HIS 57 CD2 0.0016 0.0089 0.0031 2577 HIS 57 CE1 0.0016 0.0091 0.0030 2578 HIS 57 NE2 0.0019 0.0093 0.0025 2579 HIS 57 H 0.0003 0.0063 0.0063 2580 HIS 57 HA 0.0018 0.0063 0.0043 2581 HIS 57 HB3 0.0003 0.0078 0.0055 2582 HIS 57 HB2 0.0007 0.0080 0.0049 2583 HIS 57 HD2 0.0017 0.0089 0.0030 2584 HIS 57 HE1 0.0017 0.0093 0.0029 2585 HIS 57 HE2 0.0022 0.0098 0.0019 2586 THR 58 N 0.0011 0.0057 0.0056 2587 THR 58 CA 0.0012 0.0053 0.0057 2588 THR 58 C 0.0019 0.0042 0.0053 2589 THR 58 O 0.0024 0.0041 0.0046 2590 THR 58 CB 0.0006 0.0050 0.0067 2591 THR 58 OG1 -0.0001 0.0060 0.0071 2592 THR 58 CG2 0.0007 0.0046 0.0067 2593 THR 58 H 0.0006 0.0058 0.0063 2594 THR 58 HA 0.0013 0.0059 0.0052 2595 THR 58 HB 0.0005 0.0044 0.0072 2596 THR 58 HG1 -0.0002 0.0064 0.0070 2597 THR 58 HG21 0.0002 0.0044 0.0075 2598 THR 58 HG22 0.0012 0.0038 0.0065 2599 THR 58 HG23 0.0008 0.0052 0.0063 2600 HIS 59 N 0.0013 0.0048 0.0062 2601 HIS 59 CA 0.0018 0.0037 0.0058 2602 HIS 59 C 0.0024 0.0038 0.0046 2603 HIS 59 O 0.0028 0.0033 0.0040 2604 HIS 59 CB 0.0018 0.0028 0.0064 2605 HIS 59 CG 0.0023 0.0017 0.0060 2606 HIS 59 ND1 0.0025 0.0010 0.0060 2607 HIS 59 CD2 0.0027 0.0011 0.0056 2608 HIS 59 CE1 0.0030 0.0001 0.0056 2609 HIS 59 NE2 0.0031 0.0001 0.0053 2610 HIS 59 H 0.0010 0.0049 0.0068 2611 HIS 59 HA 0.0019 0.0035 0.0058 2612 HIS 59 HB3 0.0017 0.0031 0.0065 2613 HIS 59 HB2 0.0014 0.0027 0.0072 2614 HIS 59 HD2 0.0026 0.0015 0.0055 2615 HIS 59 HE1 0.0032 -0.0005 0.0056 2616 HIS 59 HE2 0.0034 -0.0004 0.0050 2617 LEU 60 N 0.0023 0.0045 0.0043 2618 LEU 60 CA 0.0028 0.0046 0.0032 2619 LEU 60 C 0.0030 0.0052 0.0024 2620 LEU 60 O 0.0035 0.0049 0.0015 2621 LEU 60 CB 0.0026 0.0052 0.0031 2622 LEU 60 CG 0.0026 0.0045 0.0037 2623 LEU 60 CD1 0.0023 0.0053 0.0039 2624 LEU 60 CD2 0.0031 0.0035 0.0032 2625 LEU 60 H 0.0019 0.0049 0.0048 2626 LEU 60 HA 0.0031 0.0038 0.0030 2627 LEU 60 HB3 0.0030 0.0054 0.0023 2628 LEU 60 HB2 0.0023 0.0060 0.0034 2629 LEU 60 HG 0.0023 0.0042 0.0045 2630 LEU 60 HD11 0.0022 0.0048 0.0043 2631 LEU 60 HD12 0.0018 0.0060 0.0043 2632 LEU 60 HD13 0.0025 0.0056 0.0031 2633 LEU 60 HD21 0.0031 0.0030 0.0036 2634 LEU 60 HD22 0.0034 0.0038 0.0024 2635 LEU 60 HD23 0.0033 0.0030 0.0031 2636 VAL 61 N 0.0022 0.0066 0.0025 2637 VAL 61 CA 0.0024 0.0069 0.0020 2638 VAL 61 C 0.0029 0.0059 0.0022 2639 VAL 61 O 0.0035 0.0059 0.0015 2640 VAL 61 CB 0.0016 0.0077 0.0024 2641 VAL 61 CG1 0.0018 0.0078 0.0021 2642 VAL 61 CG2 0.0013 0.0088 0.0021 2643 VAL 61 H 0.0016 0.0068 0.0030 2644 VAL 61 HA 0.0029 0.0073 0.0013 2645 VAL 61 HB 0.0011 0.0074 0.0032 2646 VAL 61 HG11 0.0012 0.0084 0.0024 2647 VAL 61 HG12 0.0020 0.0070 0.0024 2648 VAL 61 HG13 0.0024 0.0082 0.0014 2649 VAL 61 HG21 0.0007 0.0094 0.0024 2650 VAL 61 HG22 0.0018 0.0091 0.0014 2651 VAL 61 HG23 0.0011 0.0087 0.0024 2652 GLN 62 N 0.0026 0.0051 0.0030 2653 GLN 62 CA 0.0029 0.0041 0.0031 2654 GLN 62 C 0.0039 0.0035 0.0025 2655 GLN 62 O 0.0045 0.0031 0.0022 2656 GLN 62 CB 0.0024 0.0034 0.0041 2657 GLN 62 CG 0.0016 0.0037 0.0048 2658 GLN 62 CD 0.0010 0.0030 0.0058 2659 GLN 62 OE1 0.0007 0.0030 0.0061 2660 GLN 62 NE2 0.0009 0.0023 0.0062 2661 GLN 62 H 0.0020 0.0052 0.0035 2662 GLN 62 HA 0.0029 0.0043 0.0030 2663 GLN 62 HB3 0.0029 0.0025 0.0042 2664 GLN 62 HB2 0.0023 0.0033 0.0043 2665 GLN 62 HG3 0.0012 0.0045 0.0047 2666 GLN 62 HG2 0.0017 0.0036 0.0047 2667 GLN 62 HE22 0.0006 0.0019 0.0069 2668 GLN 62 HE21 0.0012 0.0023 0.0060 2669 GLN 63 N 0.0032 0.0039 0.0021 2670 GLN 63 CA 0.0038 0.0028 0.0011 2671 GLN 63 C 0.0035 0.0033 -0.0005 2672 GLN 63 O 0.0037 0.0029 -0.0013 2673 GLN 63 CB 0.0043 0.0018 0.0012 2674 GLN 63 CG 0.0047 0.0010 0.0026 2675 GLN 63 CD 0.0054 -0.0003 0.0026 2676 GLN 63 OE1 0.0054 -0.0003 0.0024 2677 GLN 63 NE2 0.0059 -0.0014 0.0026 2678 GLN 63 H 0.0031 0.0040 0.0026 2679 GLN 63 HA 0.0040 0.0023 0.0014 2680 GLN 63 HB3 0.0047 0.0011 0.0003 2681 GLN 63 HB2 0.0040 0.0023 0.0012 2682 GLN 63 HG3 0.0044 0.0016 0.0036 2683 GLN 63 HG2 0.0048 0.0008 0.0029 2684 GLN 63 HE22 0.0064 -0.0023 0.0026 2685 GLN 63 HE21 0.0059 -0.0013 0.0028 2686 ALA 64 N 0.0031 0.0042 -0.0010 2687 ALA 64 CA 0.0028 0.0047 -0.0024 2688 ALA 64 C 0.0024 0.0056 -0.0027 2689 ALA 64 O 0.0024 0.0056 -0.0039 2690 ALA 64 CB 0.0025 0.0055 -0.0027 2691 ALA 64 H 0.0029 0.0044 -0.0002 2692 ALA 64 HA 0.0033 0.0039 -0.0032 2693 ALA 64 HB1 0.0023 0.0059 -0.0039 2694 ALA 64 HB2 0.0028 0.0048 -0.0026 2695 ALA 64 HB3 0.0020 0.0063 -0.0019 2696 ASN 65 N 0.0009 0.0056 -0.0014 2697 ASN 65 CA -0.0009 0.0084 -0.0013 2698 ASN 65 C -0.0032 0.0094 -0.0041 2699 ASN 65 O -0.0044 0.0097 -0.0057 2700 ASN 65 CB -0.0007 0.0085 -0.0009 2701 ASN 65 CG -0.0022 0.0115 -0.0002 2702 ASN 65 OD1 -0.0028 0.0118 -0.0008 2703 ASN 65 ND2 -0.0029 0.0136 0.0009 2704 ASN 65 H 0.0021 0.0054 0.0004 2705 ASN 65 HA -0.0008 0.0100 0.0005 2706 ASN 65 HB3 -0.0011 0.0072 -0.0029 2707 ASN 65 HB2 0.0009 0.0075 0.0008 2708 ASN 65 HD22 -0.0039 0.0156 0.0014 2709 ASN 65 HD21 -0.0025 0.0134 0.0013 2710 PRO 66 N -0.0037 0.0097 -0.0046 2711 PRO 66 CA -0.0058 0.0104 -0.0072 2712 PRO 66 C -0.0076 0.0136 -0.0069 2713 PRO 66 O -0.0073 0.0153 -0.0045 2714 PRO 66 CB -0.0054 0.0097 -0.0074 2715 PRO 66 CG -0.0039 0.0102 -0.0044 2716 PRO 66 CD -0.0024 0.0094 -0.0028 2717 PRO 66 HA -0.0061 0.0091 -0.0091 2718 PRO 66 HB3 -0.0047 0.0074 -0.0086 2719 PRO 66 HB2 -0.0070 0.0112 -0.0084 2720 PRO 66 HG3 -0.0029 0.0088 -0.0043 2721 PRO 66 HG2 -0.0048 0.0125 -0.0034 2722 PRO 66 HD2 -0.0021 0.0109 -0.0006 2723 PRO 66 HD3 -0.0009 0.0071 -0.0028 2724 ARG 67 N -0.0221 0.0159 -0.0130 2725 ARG 67 CA -0.0263 0.0223 -0.0131 2726 ARG 67 C -0.0222 0.0245 -0.0109 2727 ARG 67 O -0.0201 0.0195 -0.0113 2728 ARG 67 CB -0.0342 0.0201 -0.0168 2729 ARG 67 CG -0.0405 0.0250 -0.0181 2730 ARG 67 CD -0.0480 0.0220 -0.0218 2731 ARG 67 NE -0.0491 0.0209 -0.0225 2732 ARG 67 CZ -0.0516 0.0145 -0.0250 2733 ARG 67 NH1 -0.0533 0.0086 -0.0272 2734 ARG 67 NH2 -0.0524 0.0140 -0.0255 2735 ARG 67 H -0.0245 0.0108 -0.0152 2736 ARG 67 HA -0.0268 0.0274 -0.0120 2737 ARG 67 HB3 -0.0351 0.0206 -0.0170 2738 ARG 67 HB2 -0.0345 0.0139 -0.0184 2739 ARG 67 HG3 -0.0395 0.0247 -0.0177 2740 ARG 67 HG2 -0.0405 0.0311 -0.0166 2741 ARG 67 HD3 -0.0485 0.0164 -0.0233 2742 ARG 67 HD2 -0.0525 0.0261 -0.0226 2743 ARG 67 HE -0.0478 0.0253 -0.0209 2744 ARG 67 HH12 -0.0552 0.0038 -0.0291 2745 ARG 67 HH11 -0.0527 0.0090 -0.0268 2746 ARG 67 HH22 -0.0543 0.0092 -0.0274 2747 ARG 67 HH21 -0.0511 0.0185 -0.0239 2748 GLY 68 N -0.0211 0.0321 -0.0086 2749 GLY 68 CA -0.0176 0.0351 -0.0065 2750 GLY 68 C -0.0091 0.0349 -0.0032 2751 GLY 68 O -0.0056 0.0368 -0.0013 2752 GLY 68 H -0.0226 0.0359 -0.0083 2753 GLY 68 HA3 -0.0193 0.0319 -0.0080 2754 GLY 68 HA2 -0.0200 0.0411 -0.0060 2755 SER 69 N -0.0033 0.0175 -0.0015 2756 SER 69 CA -0.0045 0.0173 -0.0014 2757 SER 69 C -0.0048 0.0160 -0.0012 2758 SER 69 O -0.0042 0.0152 -0.0011 2759 SER 69 CB -0.0045 0.0178 -0.0014 2760 SER 69 OG -0.0039 0.0169 -0.0014 2761 SER 69 H -0.0026 0.0175 -0.0015 2762 SER 69 HA -0.0052 0.0178 -0.0014 2763 SER 69 HB3 -0.0040 0.0186 -0.0016 2764 SER 69 HB2 -0.0054 0.0180 -0.0014 2765 SER 69 HG -0.0031 0.0171 -0.0014 2766 ALA 70 N -0.0058 0.0157 -0.0011 2767 ALA 70 CA -0.0062 0.0144 -0.0009 2768 ALA 70 C -0.0069 0.0138 -0.0008 2769 ALA 70 O -0.0071 0.0127 -0.0007 2770 ALA 70 CB -0.0069 0.0143 -0.0009 2771 ALA 70 H -0.0063 0.0163 -0.0012 2772 ALA 70 HA -0.0053 0.0138 -0.0009 2773 ALA 70 HB1 -0.0071 0.0133 -0.0008 2774 ALA 70 HB2 -0.0063 0.0146 -0.0010 2775 ALA 70 HB3 -0.0077 0.0148 -0.0009 2776 GLY 71 N -0.0014 0.0032 0.0030 2777 GLY 71 CA -0.0004 0.0032 0.0034 2778 GLY 71 C 0.0007 0.0031 0.0037 2779 GLY 71 O 0.0007 0.0030 0.0037 2780 GLY 71 H -0.0016 0.0023 0.0028 2781 GLY 71 HA3 -0.0004 0.0041 0.0035 2782 GLY 71 HA2 -0.0004 0.0025 0.0032 2783 PRO 72 N 0.0018 0.0029 0.0041 2784 PRO 72 CA 0.0029 0.0027 0.0044 2785 PRO 72 C 0.0032 0.0039 0.0047 2786 PRO 72 O 0.0029 0.0049 0.0047 2787 PRO 72 CB 0.0038 0.0025 0.0047 2788 PRO 72 CG 0.0031 0.0023 0.0044 2789 PRO 72 CD 0.0020 0.0030 0.0041 2790 PRO 72 HA 0.0029 0.0019 0.0043 2791 PRO 72 HB3 0.0044 0.0017 0.0047 2792 PRO 72 HB2 0.0043 0.0034 0.0050 2793 PRO 72 HG3 0.0030 0.0013 0.0042 2794 PRO 72 HG2 0.0036 0.0026 0.0046 2795 PRO 72 HD2 0.0021 0.0039 0.0043 2796 PRO 72 HD3 0.0013 0.0025 0.0038 2797 CYS 73 N 0.0047 -0.0029 0.0009 2798 CYS 73 CA 0.0046 -0.0035 0.0007 2799 CYS 73 C 0.0040 -0.0035 0.0004 2800 CYS 73 O 0.0036 -0.0030 0.0004 2801 CYS 73 CB 0.0050 -0.0035 0.0008 2802 CYS 73 SG 0.0048 -0.0029 0.0010 2803 CYS 73 H 0.0047 -0.0025 0.0010 2804 CYS 73 HA 0.0048 -0.0039 0.0007 2805 CYS 73 HB3 0.0054 -0.0036 0.0010 2806 CYS 73 HB2 0.0049 -0.0039 0.0007 2807 CYS 74 N 0.0038 -0.0040 0.0002 2808 CYS 74 CA 0.0032 -0.0041 -0.0001 2809 CYS 74 C 0.0031 -0.0040 -0.0001 2810 CYS 74 O 0.0033 -0.0044 -0.0001 2811 CYS 74 CB 0.0030 -0.0047 -0.0004 2812 CYS 74 SG 0.0022 -0.0048 -0.0008 2813 CYS 74 H 0.0041 -0.0044 0.0002 2814 CYS 74 HA 0.0029 -0.0037 -0.0002 2815 CYS 74 HB3 0.0033 -0.0051 -0.0004 2816 CYS 74 HB2 0.0031 -0.0048 -0.0004 2817 THR 75 N 0.0020 -0.0039 0.0004 2818 THR 75 CA 0.0021 -0.0052 0.0001 2819 THR 75 C 0.0032 -0.0055 -0.0007 2820 THR 75 O 0.0038 -0.0050 -0.0010 2821 THR 75 CB 0.0013 -0.0061 0.0005 2822 THR 75 OG1 0.0011 -0.0072 0.0004 2823 THR 75 CG2 0.0016 -0.0064 0.0002 2824 THR 75 H 0.0024 -0.0036 0.0002 2825 THR 75 HA 0.0020 -0.0053 0.0002 2826 THR 75 HB 0.0006 -0.0057 0.0011 2827 THR 75 HG1 0.0004 -0.0075 0.0009 2828 THR 75 HG21 0.0010 -0.0070 0.0005 2829 THR 75 HG22 0.0017 -0.0055 0.0003 2830 THR 75 HG23 0.0024 -0.0068 -0.0003 2831 PRO 76 N 0.0036 -0.0065 -0.0011 2832 PRO 76 CA 0.0046 -0.0068 -0.0019 2833 PRO 76 C 0.0047 -0.0073 -0.0020 2834 PRO 76 O 0.0040 -0.0081 -0.0017 2835 PRO 76 CB 0.0047 -0.0079 -0.0021 2836 PRO 76 CG 0.0041 -0.0076 -0.0016 2837 PRO 76 CD 0.0031 -0.0071 -0.0009 2838 PRO 76 HA 0.0052 -0.0060 -0.0021 2839 PRO 76 HB3 0.0056 -0.0078 -0.0027 2840 PRO 76 HB2 0.0045 -0.0088 -0.0021 2841 PRO 76 HG3 0.0045 -0.0069 -0.0018 2842 PRO 76 HG2 0.0038 -0.0084 -0.0016 2843 PRO 76 HD2 0.0026 -0.0078 -0.0007 2844 PRO 76 HD3 0.0028 -0.0064 -0.0006 2845 THR 77 N 0.0056 -0.0101 0.0008 2846 THR 77 CA 0.0054 -0.0106 0.0011 2847 THR 77 C 0.0070 -0.0118 0.0001 2848 THR 77 O 0.0072 -0.0126 0.0002 2849 THR 77 CB 0.0049 -0.0087 0.0010 2850 THR 77 OG1 0.0060 -0.0072 -0.0003 2851 THR 77 CG2 0.0032 -0.0076 0.0022 2852 THR 77 H 0.0063 -0.0090 -0.0000 2853 THR 77 HA 0.0045 -0.0116 0.0021 2854 THR 77 HB 0.0050 -0.0091 0.0011 2855 THR 77 HG1 0.0060 -0.0068 -0.0004 2856 THR 77 HG21 0.0028 -0.0063 0.0021 2857 THR 77 HG22 0.0023 -0.0087 0.0032 2858 THR 77 HG23 0.0031 -0.0072 0.0021 2859 LYS 78 N 0.0083 -0.0119 -0.0010 2860 LYS 78 CA 0.0099 -0.0131 -0.0019 2861 LYS 78 C 0.0108 -0.0139 -0.0025 2862 LYS 78 O 0.0109 -0.0127 -0.0030 2863 LYS 78 CB 0.0109 -0.0120 -0.0032 2864 LYS 78 CG 0.0125 -0.0133 -0.0041 2865 LYS 78 CD 0.0136 -0.0121 -0.0053 2866 LYS 78 CE 0.0152 -0.0134 -0.0063 2867 LYS 78 NZ 0.0163 -0.0122 -0.0076 2868 LYS 78 H 0.0082 -0.0111 -0.0011 2869 LYS 78 HA 0.0097 -0.0145 -0.0014 2870 LYS 78 HB3 0.0112 -0.0107 -0.0038 2871 LYS 78 HB2 0.0103 -0.0113 -0.0028 2872 LYS 78 HG3 0.0122 -0.0146 -0.0035 2873 LYS 78 HG2 0.0132 -0.0140 -0.0045 2874 LYS 78 HD3 0.0138 -0.0108 -0.0059 2875 LYS 78 HD2 0.0130 -0.0115 -0.0050 2876 LYS 78 HE3 0.0150 -0.0147 -0.0058 2877 LYS 78 HE2 0.0158 -0.0140 -0.0067 2878 LYS 78 HZ1 0.0165 -0.0110 -0.0081 2879 LYS 78 HZ2 0.0174 -0.0131 -0.0082 2880 LYS 78 HZ3 0.0157 -0.0117 -0.0072 2881 MET 79 N 0.0105 -0.0176 -0.0061 2882 MET 79 CA 0.0103 -0.0170 -0.0059 2883 MET 79 C 0.0124 -0.0179 -0.0062 2884 MET 79 O 0.0133 -0.0196 -0.0067 2885 MET 79 CB 0.0081 -0.0178 -0.0063 2886 MET 79 CG 0.0059 -0.0171 -0.0061 2887 MET 79 SD 0.0052 -0.0143 -0.0052 2888 MET 79 CE 0.0040 -0.0146 -0.0053 2889 MET 79 H 0.0106 -0.0192 -0.0067 2890 MET 79 HA 0.0103 -0.0152 -0.0053 2891 MET 79 HB3 0.0080 -0.0173 -0.0061 2892 MET 79 HB2 0.0081 -0.0196 -0.0069 2893 MET 79 HG3 0.0045 -0.0181 -0.0065 2894 MET 79 HG2 0.0062 -0.0172 -0.0061 2895 MET 79 HE1 0.0035 -0.0130 -0.0048 2896 MET 79 HE2 0.0025 -0.0157 -0.0058 2897 MET 79 HE3 0.0053 -0.0154 -0.0056 2898 SER 80 N 0.0130 -0.0167 -0.0058 2899 SER 80 CA 0.0148 -0.0175 -0.0060 2900 SER 80 C 0.0138 -0.0177 -0.0060 2901 SER 80 O 0.0122 -0.0164 -0.0057 2902 SER 80 CB 0.0169 -0.0160 -0.0054 2903 SER 80 OG 0.0184 -0.0165 -0.0055 2904 SER 80 H 0.0123 -0.0153 -0.0053 2905 SER 80 HA 0.0154 -0.0192 -0.0065 2906 SER 80 HB3 0.0179 -0.0163 -0.0055 2907 SER 80 HB2 0.0164 -0.0143 -0.0048 2908 SER 80 HG 0.0176 -0.0159 -0.0053 2909 PRO 81 N 0.0154 -0.0233 -0.0080 2910 PRO 81 CA 0.0131 -0.0221 -0.0081 2911 PRO 81 C 0.0136 -0.0202 -0.0055 2912 PRO 81 O 0.0159 -0.0200 -0.0038 2913 PRO 81 CB 0.0134 -0.0239 -0.0100 2914 PRO 81 CG 0.0166 -0.0254 -0.0097 2915 PRO 81 CD 0.0177 -0.0253 -0.0089 2916 PRO 81 HA 0.0109 -0.0215 -0.0087 2917 PRO 81 HB3 0.0122 -0.0249 -0.0119 2918 PRO 81 HB2 0.0128 -0.0231 -0.0095 2919 PRO 81 HG3 0.0169 -0.0271 -0.0115 2920 PRO 81 HG2 0.0177 -0.0248 -0.0082 2921 PRO 81 HD2 0.0197 -0.0251 -0.0074 2922 PRO 81 HD3 0.0178 -0.0268 -0.0106 2923 ILE 82 N 0.0115 -0.0187 -0.0052 2924 ILE 82 CA 0.0120 -0.0173 -0.0031 2925 ILE 82 C 0.0107 -0.0175 -0.0042 2926 ILE 82 O 0.0087 -0.0181 -0.0063 2927 ILE 82 CB 0.0108 -0.0148 -0.0010 2928 ILE 82 CG1 0.0075 -0.0139 -0.0021 2929 ILE 82 CG2 0.0124 -0.0145 0.0004 2930 ILE 82 CD1 0.0061 -0.0114 -0.0000 2931 ILE 82 H 0.0094 -0.0186 -0.0064 2932 ILE 82 HA 0.0144 -0.0179 -0.0023 2933 ILE 82 HB 0.0112 -0.0139 0.0003 2934 ILE 82 HG13 0.0065 -0.0145 -0.0034 2935 ILE 82 HG12 0.0071 -0.0146 -0.0032 2936 ILE 82 HG21 0.0115 -0.0127 0.0019 2937 ILE 82 HG22 0.0147 -0.0150 0.0012 2938 ILE 82 HG23 0.0121 -0.0155 -0.0009 2939 ILE 82 HD11 0.0037 -0.0108 -0.0009 2940 ILE 82 HD12 0.0064 -0.0107 0.0010 2941 ILE 82 HD13 0.0070 -0.0108 0.0013 2942 ASN 83 N 0.0089 -0.0184 0.0009 2943 ASN 83 CA 0.0071 -0.0166 0.0005 2944 ASN 83 C 0.0047 -0.0140 0.0013 2945 ASN 83 O 0.0047 -0.0134 0.0038 2946 ASN 83 CB 0.0080 -0.0169 0.0027 2947 ASN 83 CG 0.0103 -0.0195 0.0018 2948 ASN 83 OD1 0.0123 -0.0209 0.0042 2949 ASN 83 ND2 0.0103 -0.0202 -0.0010 2950 ASN 83 H 0.0102 -0.0190 0.0031 2951 ASN 83 HA 0.0067 -0.0170 -0.0021 2952 ASN 83 HB3 0.0065 -0.0156 0.0025 2953 ASN 83 HB2 0.0084 -0.0166 0.0053 2954 ASN 83 HD22 0.0118 -0.0219 -0.0016 2955 ASN 83 HD21 0.0087 -0.0191 -0.0027 2956 MET 84 N 0.0026 -0.0125 -0.0007 2957 MET 84 CA 0.0003 -0.0100 -0.0001 2958 MET 84 C -0.0017 -0.0081 -0.0005 2959 MET 84 O -0.0017 -0.0086 -0.0025 2960 MET 84 CB -0.0006 -0.0097 -0.0025 2961 MET 84 CG 0.0011 -0.0113 -0.0021 2962 MET 84 SD -0.0001 -0.0108 -0.0046 2963 MET 84 CE -0.0022 -0.0080 -0.0021 2964 MET 84 H 0.0027 -0.0131 -0.0027 2965 MET 84 HA 0.0005 -0.0095 0.0024 2966 MET 84 HB3 -0.0024 -0.0078 -0.0022 2967 MET 84 HB2 -0.0009 -0.0101 -0.0051 2968 MET 84 HG3 0.0029 -0.0133 -0.0028 2969 MET 84 HG2 0.0016 -0.0111 0.0005 2970 MET 84 HE1 -0.0031 -0.0074 -0.0033 2971 MET 84 HE2 -0.0036 -0.0066 -0.0019 2972 MET 84 HE3 -0.0012 -0.0084 0.0004 2973 LEU 85 N -0.0054 -0.0065 -0.0003 2974 LEU 85 CA -0.0065 -0.0057 -0.0005 2975 LEU 85 C -0.0060 -0.0060 -0.0004 2976 LEU 85 O -0.0058 -0.0071 0.0002 2977 LEU 85 CB -0.0081 -0.0061 0.0000 2978 LEU 85 CG -0.0094 -0.0051 -0.0003 2979 LEU 85 CD1 -0.0095 -0.0038 -0.0011 2980 LEU 85 CD2 -0.0109 -0.0057 0.0004 2981 LEU 85 H -0.0053 -0.0074 0.0003 2982 LEU 85 HA -0.0064 -0.0047 -0.0012 2983 LEU 85 HB3 -0.0082 -0.0070 0.0007 2984 LEU 85 HB2 -0.0082 -0.0062 0.0002 2985 LEU 85 HG -0.0093 -0.0049 -0.0004 2986 LEU 85 HD11 -0.0104 -0.0031 -0.0013 2987 LEU 85 HD12 -0.0084 -0.0033 -0.0016 2988 LEU 85 HD13 -0.0096 -0.0039 -0.0010 2989 LEU 85 HD21 -0.0118 -0.0050 0.0002 2990 LEU 85 HD22 -0.0110 -0.0059 0.0006 2991 LEU 85 HD23 -0.0109 -0.0066 0.0010 2992 TYR 86 N -0.0058 -0.0050 -0.0011 2993 TYR 86 CA -0.0051 -0.0052 -0.0012 2994 TYR 86 C -0.0055 -0.0040 -0.0018 2995 TYR 86 O -0.0062 -0.0030 -0.0023 2996 TYR 86 CB -0.0033 -0.0053 -0.0014 2997 TYR 86 CG -0.0027 -0.0042 -0.0023 2998 TYR 86 CD1 -0.0025 -0.0041 -0.0023 2999 TYR 86 CD2 -0.0023 -0.0031 -0.0030 3000 TYR 86 CE1 -0.0020 -0.0030 -0.0031 3001 TYR 86 CE2 -0.0018 -0.0020 -0.0038 3002 TYR 86 CZ -0.0016 -0.0020 -0.0039 3003 TYR 86 OH -0.0011 -0.0009 -0.0046 3004 TYR 86 H -0.0061 -0.0041 -0.0016 3005 TYR 86 HA -0.0054 -0.0061 -0.0005 3006 TYR 86 HB3 -0.0030 -0.0062 -0.0009 3007 TYR 86 HB2 -0.0028 -0.0055 -0.0014 3008 TYR 86 HD1 -0.0028 -0.0049 -0.0018 3009 TYR 86 HD2 -0.0025 -0.0031 -0.0030 3010 TYR 86 HE1 -0.0019 -0.0030 -0.0032 3011 TYR 86 HE2 -0.0015 -0.0012 -0.0044 3012 TYR 86 HH -0.0015 -0.0008 -0.0046 3013 PHE 87 N -0.0016 -0.0071 0.0017 3014 PHE 87 CA 0.0011 -0.0060 0.0033 3015 PHE 87 C 0.0049 -0.0025 0.0061 3016 PHE 87 O 0.0079 -0.0038 0.0072 3017 PHE 87 CB 0.0035 -0.0110 0.0030 3018 PHE 87 CG 0.0000 -0.0142 0.0004 3019 PHE 87 CD1 -0.0019 -0.0130 -0.0001 3020 PHE 87 CD2 -0.0012 -0.0186 -0.0014 3021 PHE 87 CE1 -0.0051 -0.0160 -0.0025 3022 PHE 87 CE2 -0.0044 -0.0216 -0.0038 3023 PHE 87 CZ -0.0064 -0.0203 -0.0043 3024 PHE 87 H -0.0003 -0.0102 0.0014 3025 PHE 87 HA -0.0014 -0.0040 0.0027 3026 PHE 87 HB3 0.0061 -0.0100 0.0045 3027 PHE 87 HB2 0.0057 -0.0132 0.0034 3028 PHE 87 HD1 -0.0010 -0.0097 0.0013 3029 PHE 87 HD2 0.0003 -0.0196 -0.0010 3030 PHE 87 HE1 -0.0067 -0.0150 -0.0029 3031 PHE 87 HE2 -0.0053 -0.0250 -0.0052 3032 PHE 87 HZ -0.0089 -0.0227 -0.0062 3033 ASN 88 N 0.0049 0.0018 0.0074 3034 ASN 88 CA 0.0089 0.0050 0.0102 3035 ASN 88 C 0.0133 0.0027 0.0115 3036 ASN 88 O 0.0131 -0.0013 0.0103 3037 ASN 88 CB 0.0073 0.0106 0.0111 3038 ASN 88 CG 0.0058 0.0115 0.0106 3039 ASN 88 OD1 0.0065 0.0080 0.0100 3040 ASN 88 ND2 0.0037 0.0162 0.0110 3041 ASN 88 H 0.0022 0.0029 0.0065 3042 ASN 88 HA 0.0100 0.0048 0.0106 3043 ASN 88 HB3 0.0042 0.0121 0.0101 3044 ASN 88 HB2 0.0102 0.0130 0.0131 3045 ASN 88 HD22 0.0026 0.0170 0.0108 3046 ASN 88 HD21 0.0031 0.0189 0.0116 3047 ASP 89 N 0.0316 0.0075 0.0229 3048 ASP 89 CA 0.0409 0.0026 0.0270 3049 ASP 89 C 0.0390 -0.0002 0.0250 3050 ASP 89 O 0.0446 -0.0081 0.0258 3051 ASP 89 CB 0.0489 0.0107 0.0342 3052 ASP 89 CG 0.0539 0.0104 0.0370 3053 ASP 89 OD1 0.0530 0.0021 0.0339 3054 ASP 89 OD2 0.0586 0.0184 0.0423 3055 ASP 89 H 0.0315 0.0151 0.0252 3056 ASP 89 HA 0.0441 -0.0054 0.0264 3057 ASP 89 HB3 0.0549 0.0083 0.0370 3058 ASP 89 HB2 0.0453 0.0194 0.0348 3059 LYS 90 N 0.0313 0.0064 0.0224 3060 LYS 90 CA 0.0288 0.0043 0.0203 3061 LYS 90 C 0.0220 -0.0050 0.0134 3062 LYS 90 O 0.0183 -0.0074 0.0105 3063 LYS 90 CB 0.0232 0.0152 0.0204 3064 LYS 90 CG 0.0294 0.0250 0.0271 3065 LYS 90 CD 0.0220 0.0363 0.0262 3066 LYS 90 CE 0.0273 0.0461 0.0324 3067 LYS 90 NZ 0.0197 0.0558 0.0309 3068 LYS 90 H 0.0270 0.0129 0.0219 3069 LYS 90 HA 0.0359 0.0015 0.0236 3070 LYS 90 HB3 0.0209 0.0133 0.0184 3071 LYS 90 HB2 0.0160 0.0180 0.0170 3072 LYS 90 HG3 0.0343 0.0248 0.0299 3073 LYS 90 HG2 0.0342 0.0243 0.0297 3074 LYS 90 HD3 0.0156 0.0354 0.0222 3075 LYS 90 HD2 0.0187 0.0381 0.0248 3076 LYS 90 HE3 0.0316 0.0491 0.0359 3077 LYS 90 HE2 0.0328 0.0432 0.0348 3078 LYS 90 HZ1 0.0158 0.0531 0.0278 3079 LYS 90 HZ2 0.0234 0.0623 0.0351 3080 LYS 90 HZ3 0.0146 0.0586 0.0288 3081 GLN 91 N 0.0168 -0.0065 0.0148 3082 GLN 91 CA 0.0112 -0.0136 0.0109 3083 GLN 91 C 0.0028 -0.0098 0.0055 3084 GLN 91 O -0.0026 -0.0151 0.0017 3085 GLN 91 CB 0.0121 -0.0225 0.0114 3086 GLN 91 CG 0.0204 -0.0267 0.0168 3087 GLN 91 CD 0.0233 -0.0290 0.0187 3088 GLN 91 OE1 0.0187 -0.0310 0.0156 3089 GLN 91 NE2 0.0310 -0.0290 0.0238 3090 GLN 91 H 0.0207 -0.0044 0.0174 3091 GLN 91 HA 0.0123 -0.0154 0.0116 3092 GLN 91 HB3 0.0080 -0.0278 0.0086 3093 GLN 91 HB2 0.0104 -0.0211 0.0103 3094 GLN 91 HG3 0.0206 -0.0329 0.0168 3095 GLN 91 HG2 0.0244 -0.0217 0.0196 3096 GLN 91 HE22 0.0333 -0.0306 0.0253 3097 GLN 91 HE21 0.0345 -0.0275 0.0262 3098 GLN 92 N 0.0019 -0.0006 0.0050 3099 GLN 92 CA -0.0058 0.0037 -0.0000 3100 GLN 92 C -0.0089 0.0032 -0.0021 3101 GLN 92 O -0.0043 0.0038 0.0010 3102 GLN 92 CB -0.0056 0.0139 0.0003 3103 GLN 92 CG -0.0029 0.0151 0.0021 3104 GLN 92 CD -0.0014 0.0253 0.0033 3105 GLN 92 OE1 0.0017 0.0305 0.0054 3106 GLN 92 NE2 -0.0035 0.0281 0.0019 3107 GLN 92 H 0.0066 0.0035 0.0082 3108 GLN 92 HA -0.0098 -0.0001 -0.0027 3109 GLN 92 HB3 -0.0114 0.0171 -0.0035 3110 GLN 92 HB2 -0.0018 0.0179 0.0029 3111 GLN 92 HG3 0.0023 0.0109 0.0055 3112 GLN 92 HG2 -0.0074 0.0124 -0.0009 3113 GLN 92 HE22 -0.0026 0.0348 0.0026 3114 GLN 92 HE21 -0.0060 0.0235 0.0002 3115 ILE 93 N -0.0093 0.0021 -0.0023 3116 ILE 93 CA -0.0114 0.0004 -0.0028 3117 ILE 93 C -0.0117 0.0045 -0.0028 3118 ILE 93 O -0.0141 0.0081 -0.0033 3119 ILE 93 CB -0.0163 -0.0017 -0.0040 3120 ILE 93 CG1 -0.0162 -0.0057 -0.0040 3121 ILE 93 CG2 -0.0184 -0.0034 -0.0045 3122 ILE 93 CD1 -0.0209 -0.0072 -0.0051 3123 ILE 93 H -0.0114 0.0028 -0.0027 3124 ILE 93 HA -0.0092 -0.0024 -0.0023 3125 ILE 93 HB -0.0186 0.0012 -0.0044 3126 ILE 93 HG13 -0.0139 -0.0047 -0.0035 3127 ILE 93 HG12 -0.0145 -0.0089 -0.0037 3128 ILE 93 HG21 -0.0219 -0.0048 -0.0053 3129 ILE 93 HG22 -0.0186 -0.0004 -0.0045 3130 ILE 93 HG23 -0.0162 -0.0062 -0.0040 3131 ILE 93 HD11 -0.0206 -0.0101 -0.0051 3132 ILE 93 HD12 -0.0226 -0.0041 -0.0054 3133 ILE 93 HD13 -0.0231 -0.0083 -0.0056 3134 ILE 94 N -0.0090 0.0041 -0.0022 3135 ILE 94 CA -0.0087 0.0079 -0.0020 3136 ILE 94 C -0.0104 0.0062 -0.0024 3137 ILE 94 O -0.0089 0.0024 -0.0022 3138 ILE 94 CB -0.0037 0.0099 -0.0008 3139 ILE 94 CG1 -0.0019 0.0117 -0.0004 3140 ILE 94 CG2 -0.0034 0.0138 -0.0007 3141 ILE 94 CD1 -0.0046 0.0160 -0.0009 3142 ILE 94 H -0.0071 0.0010 -0.0018 3143 ILE 94 HA -0.0110 0.0108 -0.0025 3144 ILE 94 HB -0.0014 0.0069 -0.0004 3145 ILE 94 HG13 0.0018 0.0127 0.0005 3146 ILE 94 HG12 -0.0019 0.0088 -0.0005 3147 ILE 94 HG21 0.0001 0.0151 0.0001 3148 ILE 94 HG22 -0.0045 0.0123 -0.0010 3149 ILE 94 HG23 -0.0058 0.0167 -0.0012 3150 ILE 94 HD11 -0.0031 0.0170 -0.0006 3151 ILE 94 HD12 -0.0045 0.0190 -0.0008 3152 ILE 94 HD13 -0.0083 0.0150 -0.0018 3153 TYR 95 N -0.0087 0.0027 -0.0036 3154 TYR 95 CA -0.0070 -0.0006 -0.0021 3155 TYR 95 C -0.0045 -0.0019 -0.0050 3156 TYR 95 O -0.0045 -0.0004 -0.0072 3157 TYR 95 CB -0.0082 -0.0011 0.0007 3158 TYR 95 CG -0.0064 -0.0044 0.0020 3159 TYR 95 CD1 -0.0061 -0.0066 0.0046 3160 TYR 95 CD2 -0.0050 -0.0052 0.0006 3161 TYR 95 CE1 -0.0045 -0.0096 0.0057 3162 TYR 95 CE2 -0.0034 -0.0082 0.0018 3163 TYR 95 CZ -0.0032 -0.0104 0.0044 3164 TYR 95 OH -0.0016 -0.0134 0.0056 3165 TYR 95 H -0.0096 0.0043 -0.0040 3166 TYR 95 HA -0.0067 -0.0019 -0.0010 3167 TYR 95 HB3 -0.0089 0.0006 -0.0002 3168 TYR 95 HB2 -0.0099 -0.0004 0.0029 3169 TYR 95 HD1 -0.0072 -0.0060 0.0057 3170 TYR 95 HD2 -0.0052 -0.0035 -0.0014 3171 TYR 95 HE1 -0.0043 -0.0113 0.0077 3172 TYR 95 HE2 -0.0024 -0.0089 0.0007 3173 TYR 95 HH -0.0016 -0.0146 0.0073 3174 GLY 96 N -0.0024 -0.0046 -0.0051 3175 GLY 96 CA 0.0000 -0.0060 -0.0077 3176 GLY 96 C 0.0022 -0.0094 -0.0068 3177 GLY 96 O 0.0021 -0.0107 -0.0051 3178 GLY 96 H -0.0025 -0.0058 -0.0032 3179 GLY 96 HA3 0.0005 -0.0048 -0.0101 3180 GLY 96 HA2 -0.0000 -0.0055 -0.0083 3181 LYS 97 N 0.0063 -0.0200 -0.0116 3182 LYS 97 CA 0.0084 -0.0212 -0.0107 3183 LYS 97 C 0.0068 -0.0212 -0.0129 3184 LYS 97 O 0.0059 -0.0225 -0.0161 3185 LYS 97 CB 0.0117 -0.0241 -0.0113 3186 LYS 97 CG 0.0146 -0.0247 -0.0086 3187 LYS 97 CD 0.0175 -0.0277 -0.0098 3188 LYS 97 CE 0.0167 -0.0293 -0.0136 3189 LYS 97 NZ 0.0193 -0.0323 -0.0151 3190 LYS 97 H 0.0065 -0.0213 -0.0134 3191 LYS 97 HA 0.0089 -0.0199 -0.0079 3192 LYS 97 HB3 0.0116 -0.0256 -0.0139 3193 LYS 97 HB2 0.0120 -0.0243 -0.0112 3194 LYS 97 HG3 0.0151 -0.0236 -0.0061 3195 LYS 97 HG2 0.0140 -0.0239 -0.0081 3196 LYS 97 HD3 0.0185 -0.0284 -0.0097 3197 LYS 97 HD2 0.0194 -0.0281 -0.0081 3198 LYS 97 HE3 0.0162 -0.0290 -0.0136 3199 LYS 97 HE2 0.0145 -0.0286 -0.0152 3200 LYS 97 HZ1 0.0198 -0.0326 -0.0151 3201 LYS 97 HZ2 0.0187 -0.0333 -0.0176 3202 LYS 97 HZ3 0.0214 -0.0330 -0.0136 3203 ILE 98 N 0.0062 -0.0198 -0.0112 3204 ILE 98 CA 0.0044 -0.0195 -0.0130 3205 ILE 98 C 0.0066 -0.0212 -0.0131 3206 ILE 98 O 0.0079 -0.0206 -0.0104 3207 ILE 98 CB 0.0019 -0.0165 -0.0113 3208 ILE 98 CG1 -0.0002 -0.0146 -0.0108 3209 ILE 98 CG2 -0.0002 -0.0161 -0.0134 3210 ILE 98 CD1 -0.0022 -0.0151 -0.0143 3211 ILE 98 H 0.0071 -0.0188 -0.0085 3212 ILE 98 HA 0.0031 -0.0201 -0.0157 3213 ILE 98 HB 0.0032 -0.0159 -0.0087 3214 ILE 98 HG13 -0.0017 -0.0125 -0.0093 3215 ILE 98 HG12 0.0014 -0.0149 -0.0092 3216 ILE 98 HG21 -0.0020 -0.0140 -0.0121 3217 ILE 98 HG22 0.0013 -0.0174 -0.0135 3218 ILE 98 HG23 -0.0015 -0.0167 -0.0160 3219 ILE 98 HD11 -0.0036 -0.0137 -0.0137 3220 ILE 98 HD12 -0.0039 -0.0147 -0.0158 3221 ILE 98 HD13 -0.0006 -0.0172 -0.0157 3222 PRO 99 N 0.0043 -0.0218 -0.0163 3223 PRO 99 CA 0.0058 -0.0216 -0.0160 3224 PRO 99 C 0.0040 -0.0195 -0.0141 3225 PRO 99 O 0.0009 -0.0188 -0.0136 3226 PRO 99 CB 0.0052 -0.0242 -0.0187 3227 PRO 99 CG 0.0044 -0.0259 -0.0204 3228 PRO 99 CD 0.0026 -0.0242 -0.0189 3229 PRO 99 HA 0.0087 -0.0213 -0.0156 3230 PRO 99 HB3 0.0076 -0.0249 -0.0192 3231 PRO 99 HB2 0.0029 -0.0240 -0.0187 3232 PRO 99 HG3 0.0069 -0.0267 -0.0210 3233 PRO 99 HG2 0.0026 -0.0273 -0.0219 3234 PRO 99 HD2 -0.0002 -0.0240 -0.0188 3235 PRO 99 HD3 0.0033 -0.0249 -0.0195 3236 GLY 100 N 0.0060 -0.0186 -0.0130 3237 GLY 100 CA 0.0046 -0.0168 -0.0114 3238 GLY 100 C 0.0033 -0.0143 -0.0089 3239 GLY 100 O 0.0007 -0.0131 -0.0080 3240 GLY 100 H 0.0086 -0.0191 -0.0133 3241 GLY 100 HA3 0.0024 -0.0177 -0.0124 3242 GLY 100 HA2 0.0065 -0.0166 -0.0110 3243 MET 101 N 0.0050 -0.0161 -0.0073 3244 MET 101 CA 0.0043 -0.0140 -0.0056 3245 MET 101 C 0.0060 -0.0127 -0.0038 3246 MET 101 O 0.0050 -0.0110 -0.0024 3247 MET 101 CB 0.0047 -0.0138 -0.0052 3248 MET 101 CG 0.0026 -0.0144 -0.0066 3249 MET 101 SD -0.0007 -0.0128 -0.0060 3250 MET 101 CE -0.0001 -0.0106 -0.0037 3251 MET 101 H 0.0067 -0.0170 -0.0076 3252 MET 101 HA 0.0023 -0.0134 -0.0057 3253 MET 101 HB3 0.0047 -0.0122 -0.0037 3254 MET 101 HB2 0.0066 -0.0146 -0.0054 3255 MET 101 HG3 0.0032 -0.0146 -0.0065 3256 MET 101 HG2 0.0024 -0.0160 -0.0081 3257 MET 101 HE1 -0.0019 -0.0094 -0.0032 3258 MET 101 HE2 0.0005 -0.0109 -0.0039 3259 MET 101 HE3 0.0015 -0.0100 -0.0027 3260 VAL 102 N 0.0084 -0.0136 -0.0038 3261 VAL 102 CA 0.0103 -0.0126 -0.0022 3262 VAL 102 C 0.0110 -0.0135 -0.0028 3263 VAL 102 O 0.0117 -0.0153 -0.0044 3264 VAL 102 CB 0.0128 -0.0127 -0.0015 3265 VAL 102 CG1 0.0147 -0.0117 0.0001 3266 VAL 102 CG2 0.0122 -0.0117 -0.0008 3267 VAL 102 H 0.0091 -0.0151 -0.0050 3268 VAL 102 HA 0.0093 -0.0110 -0.0011 3269 VAL 102 HB 0.0138 -0.0143 -0.0027 3270 VAL 102 HG11 0.0165 -0.0118 0.0006 3271 VAL 102 HG12 0.0153 -0.0125 -0.0005 3272 VAL 102 HG13 0.0138 -0.0101 0.0013 3273 VAL 102 HG21 0.0140 -0.0118 -0.0003 3274 VAL 102 HG22 0.0112 -0.0101 0.0004 3275 VAL 102 HG23 0.0109 -0.0125 -0.0020 3276 VAL 103 N 0.0096 -0.0109 -0.0023 3277 VAL 103 CA 0.0094 -0.0108 -0.0022 3278 VAL 103 C 0.0110 -0.0102 -0.0022 3279 VAL 103 O 0.0117 -0.0091 -0.0019 3280 VAL 103 CB 0.0082 -0.0096 -0.0016 3281 VAL 103 CG1 0.0083 -0.0093 -0.0015 3282 VAL 103 CG2 0.0066 -0.0103 -0.0016 3283 VAL 103 H 0.0093 -0.0101 -0.0019 3284 VAL 103 HA 0.0091 -0.0118 -0.0025 3285 VAL 103 HB 0.0084 -0.0086 -0.0013 3286 VAL 103 HG11 0.0074 -0.0085 -0.0011 3287 VAL 103 HG12 0.0094 -0.0088 -0.0015 3288 VAL 103 HG13 0.0081 -0.0103 -0.0018 3289 VAL 103 HG21 0.0057 -0.0095 -0.0013 3290 VAL 103 HG22 0.0064 -0.0113 -0.0020 3291 VAL 103 HG23 0.0065 -0.0105 -0.0017 3292 ASP 104 N 0.0116 -0.0111 -0.0026 3293 ASP 104 CA 0.0131 -0.0107 -0.0027 3294 ASP 104 C 0.0129 -0.0099 -0.0024 3295 ASP 104 O 0.0138 -0.0090 -0.0022 3296 ASP 104 CB 0.0140 -0.0121 -0.0033 3297 ASP 104 CG 0.0143 -0.0130 -0.0036 3298 ASP 104 OD1 0.0145 -0.0123 -0.0034 3299 ASP 104 OD2 0.0144 -0.0144 -0.0041 3300 ASP 104 H 0.0110 -0.0121 -0.0028 3301 ASP 104 HA 0.0138 -0.0100 -0.0025 3302 ASP 104 HB3 0.0151 -0.0118 -0.0033 3303 ASP 104 HB2 0.0134 -0.0129 -0.0034 3304 ARG 105 N 0.0087 -0.0096 -0.0026 3305 ARG 105 CA 0.0079 -0.0082 -0.0022 3306 ARG 105 C 0.0073 -0.0084 -0.0008 3307 ARG 105 O 0.0074 -0.0094 0.0001 3308 ARG 105 CB 0.0075 -0.0076 -0.0020 3309 ARG 105 CG 0.0066 -0.0063 -0.0015 3310 ARG 105 CD 0.0064 -0.0059 -0.0014 3311 ARG 105 NE 0.0071 -0.0063 -0.0025 3312 ARG 105 CZ 0.0072 -0.0067 -0.0024 3313 ARG 105 NH1 0.0067 -0.0067 -0.0012 3314 ARG 105 NH2 0.0079 -0.0070 -0.0034 3315 ARG 105 H 0.0088 -0.0104 -0.0019 3316 ARG 105 HA 0.0079 -0.0075 -0.0029 3317 ARG 105 HB3 0.0076 -0.0084 -0.0014 3318 ARG 105 HB2 0.0079 -0.0075 -0.0031 3319 ARG 105 HG3 0.0066 -0.0055 -0.0022 3320 ARG 105 HG2 0.0062 -0.0065 -0.0004 3321 ARG 105 HD3 0.0059 -0.0048 -0.0015 3322 ARG 105 HD2 0.0062 -0.0063 -0.0004 3323 ARG 105 HE 0.0075 -0.0063 -0.0034 3324 ARG 105 HH12 0.0067 -0.0069 -0.0011 3325 ARG 105 HH11 0.0062 -0.0064 -0.0004 3326 ARG 105 HH22 0.0080 -0.0073 -0.0033 3327 ARG 105 HH21 0.0083 -0.0071 -0.0043 3328 CYS 106 N 0.0067 -0.0073 -0.0006 3329 CYS 106 CA 0.0061 -0.0072 0.0006 3330 CYS 106 C 0.0052 -0.0060 0.0013 3331 CYS 106 O 0.0051 -0.0050 0.0005 3332 CYS 106 CB 0.0062 -0.0071 0.0003 3333 CYS 106 SG 0.0072 -0.0086 -0.0004 3334 CYS 106 H 0.0067 -0.0065 -0.0014 3335 CYS 106 HA 0.0062 -0.0082 0.0014 3336 CYS 106 HB3 0.0057 -0.0069 0.0012 3337 CYS 106 HB2 0.0061 -0.0062 -0.0005 3338 GLY 107 N 0.0028 -0.0042 0.0010 3339 GLY 107 CA 0.0019 -0.0035 0.0015 3340 GLY 107 C 0.0024 -0.0036 0.0023 3341 GLY 107 O 0.0034 -0.0042 0.0025 3342 GLY 107 H 0.0036 -0.0046 0.0014 3343 GLY 107 HA3 0.0015 -0.0031 0.0021 3344 GLY 107 HA2 0.0013 -0.0033 0.0007 3345 CYS 108 N 0.0017 -0.0030 0.0027 3346 CYS 108 CA 0.0020 -0.0030 0.0035 3347 CYS 108 C 0.0021 -0.0026 0.0049 3348 CYS 108 O 0.0012 -0.0020 0.0054 3349 CYS 108 CB 0.0013 -0.0026 0.0031 3350 CYS 108 SG 0.0014 -0.0032 0.0016 3351 CYS 108 H 0.0008 -0.0025 0.0025 3352 CYS 108 HA 0.0029 -0.0036 0.0034 3353 CYS 108 HB3 0.0015 -0.0026 0.0039 3354 CYS 108 HB2 0.0004 -0.0020 0.0032 3355 SER 109 N 0.0018 -0.0008 0.0036 3356 SER 109 CA 0.0020 -0.0003 0.0039 3357 SER 109 C 0.0026 -0.0003 0.0041 3358 SER 109 O 0.0031 -0.0006 0.0039 3359 SER 109 CB 0.0020 -0.0001 0.0041 3360 SER 109 OG 0.0015 -0.0001 0.0040 3361 SER 109 OXT 0.0028 0.0001 0.0043 3362 SER 109 H 0.0020 -0.0011 0.0034 3363 SER 109 HA 0.0017 0.0000 0.0041 3364 SER 109 HB3 0.0022 0.0004 0.0044 3365 SER 109 HB2 0.0024 -0.0003 0.0040 3366 SER 109 HG 0.0014 -0.0004 0.0037