1 PRO 1 N 0.0152 0.0262 0.0019 2 PRO 1 CA 0.0222 0.0053 -0.0167 3 PRO 1 C 0.0208 0.0136 -0.0102 4 PRO 1 O -0.0024 0.0150 0.0046 5 PRO 1 CB 0.0002 -0.0225 -0.0228 6 PRO 1 CG -0.0227 -0.0157 -0.0044 7 PRO 1 CD -0.0164 0.0158 0.0136 8 GLU 2 N -0.0106 -0.0018 -0.0028 9 GLU 2 CA -0.0125 0.0026 0.0022 10 GLU 2 C -0.0167 0.0059 0.0002 11 GLU 2 O -0.0163 0.0044 -0.0020 12 GLU 2 CB -0.0087 0.0015 0.0080 13 GLU 2 CG -0.0053 -0.0007 0.0108 14 GLU 2 CD -0.0012 -0.0022 0.0163 15 GLU 2 OE1 -0.0000 -0.0012 0.0208 16 GLU 2 OE2 0.0009 -0.0047 0.0157 17 PHE 3 N -0.0156 0.0025 0.0005 18 PHE 3 CA -0.0120 0.0071 0.0023 19 PHE 3 C -0.0169 0.0066 0.0043 20 PHE 3 O -0.0179 0.0022 0.0013 21 PHE 3 CB -0.0050 0.0058 -0.0020 22 PHE 3 CG 0.0004 0.0071 -0.0036 23 PHE 3 CD1 0.0051 0.0130 -0.0013 24 PHE 3 CD2 0.0009 0.0025 -0.0073 25 PHE 3 CE1 0.0102 0.0142 -0.0028 26 PHE 3 CE2 0.0060 0.0037 -0.0088 27 PHE 3 CZ 0.0106 0.0096 -0.0065 28 LEU 4 N 0.0009 0.0030 0.0010 29 LEU 4 CA 0.0000 0.0023 -0.0006 30 LEU 4 C 0.0099 -0.0005 -0.0039 31 LEU 4 O 0.0176 0.0010 0.0007 32 LEU 4 CB -0.0026 0.0070 0.0079 33 LEU 4 CG -0.0127 0.0099 0.0114 34 LEU 4 CD1 -0.0139 0.0147 0.0204 35 LEU 4 CD2 -0.0212 0.0076 0.0052 36 GLY 5 N 0.0219 -0.0162 -0.0159 37 GLY 5 CA 0.0305 -0.0221 -0.0199 38 GLY 5 C 0.0281 -0.0120 -0.0134 39 GLY 5 O 0.0165 -0.0031 -0.0074 40 GLU 6 N 0.0247 -0.0129 -0.0184 41 GLU 6 CA 0.0108 0.0045 -0.0146 42 GLU 6 C 0.0069 0.0009 0.0095 43 GLU 6 O -0.0011 0.0107 0.0122 44 GLU 6 CB -0.0027 0.0233 -0.0159 45 GLU 6 CG -0.0014 0.0310 -0.0417 46 GLU 6 CD -0.0152 0.0501 -0.0428 47 GLU 6 OE1 -0.0219 0.0650 -0.0584 48 GLU 6 OE2 -0.0189 0.0500 -0.0288 49 GLU 7 N 0.0026 -0.0044 -0.0063 50 GLU 7 CA -0.0105 -0.0095 0.0026 51 GLU 7 C -0.0021 -0.0016 -0.0083 52 GLU 7 O -0.0172 0.0005 -0.0071 53 GLU 7 CB -0.0067 -0.0296 0.0245 54 GLU 7 CG -0.0160 -0.0378 0.0361 55 GLU 7 CD -0.0200 -0.0568 0.0587 56 GLU 7 OE1 -0.0388 -0.0612 0.0682 57 GLU 7 OE2 -0.0045 -0.0668 0.0663 58 ASP 8 N -0.0009 -0.0017 0.0014 59 ASP 8 CA -0.0023 0.0012 0.0013 60 ASP 8 C -0.0028 0.0065 0.0012 61 ASP 8 O -0.0037 0.0094 0.0011 62 ASP 8 CB 0.0013 0.0006 0.0012 63 ASP 8 CG 0.0012 -0.0044 0.0014 64 ASP 8 OD1 -0.0027 -0.0061 0.0015 65 ASP 8 OD2 0.0051 -0.0062 0.0013 66 ILE 9 N -0.0018 0.0069 0.0016 67 ILE 9 CA -0.0008 0.0081 0.0049 68 ILE 9 C -0.0022 0.0082 0.0037 69 ILE 9 O -0.0009 0.0062 0.0012 70 ILE 9 CB 0.0036 0.0068 0.0067 71 ILE 9 CG1 0.0049 0.0067 0.0079 72 ILE 9 CG2 0.0045 0.0082 0.0102 73 ILE 9 CD1 0.0092 0.0053 0.0096 74 PRO 10 N -0.0026 0.0062 0.0015 75 PRO 10 CA -0.0009 0.0057 0.0013 76 PRO 10 C 0.0017 0.0044 0.0018 77 PRO 10 O 0.0019 0.0032 0.0037 78 PRO 10 CB -0.0022 0.0051 0.0031 79 PRO 10 CG -0.0051 0.0060 0.0034 80 PRO 10 CD -0.0050 0.0061 0.0031 81 ARG 11 N -0.0023 0.0074 -0.0028 82 ARG 11 CA 0.0011 0.0023 -0.0036 83 ARG 11 C -0.0001 0.0032 -0.0051 84 ARG 11 O 0.0023 -0.0007 -0.0060 85 ARG 11 CB 0.0026 -0.0025 -0.0086 86 ARG 11 CG 0.0045 -0.0040 -0.0065 87 ARG 11 CD 0.0064 -0.0091 -0.0112 88 ARG 11 NE 0.0081 -0.0105 -0.0092 89 ARG 11 CZ 0.0108 -0.0152 -0.0112 90 ARG 11 NH1 0.0122 -0.0194 -0.0153 91 ARG 11 NH2 0.0120 -0.0158 -0.0089 92 GLU 12 N 0.0021 0.0090 0.0048 93 GLU 12 CA 0.0059 0.0051 0.0119 94 GLU 12 C 0.0012 0.0047 -0.0050 95 GLU 12 O -0.0011 -0.0014 -0.0224 96 GLU 12 CB 0.0170 -0.0133 0.0217 97 GLU 12 CG 0.0218 -0.0117 0.0407 98 GLU 12 CD 0.0330 -0.0285 0.0530 99 GLU 12 OE1 0.0371 -0.0267 0.0701 100 GLU 12 OE2 0.0371 -0.0426 0.0455 101 PRO 13 N -0.0009 0.0048 -0.0048 102 PRO 13 CA -0.0005 0.0068 -0.0060 103 PRO 13 C 0.0013 0.0088 -0.0067 104 PRO 13 O 0.0008 0.0093 -0.0072 105 PRO 13 CB -0.0031 0.0074 -0.0073 106 PRO 13 CG -0.0049 0.0052 -0.0065 107 PRO 13 CD -0.0036 0.0041 -0.0052 108 ARG 14 N -0.0022 0.0043 0.0008 109 ARG 14 CA -0.0019 0.0075 0.0016 110 ARG 14 C -0.0016 0.0079 0.0024 111 ARG 14 O -0.0012 0.0058 0.0036 112 ARG 14 CB -0.0009 0.0087 0.0041 113 ARG 14 CG 0.0001 0.0068 0.0070 114 ARG 14 CD 0.0009 0.0074 0.0090 115 ARG 14 NE 0.0020 0.0061 0.0120 116 ARG 14 CZ 0.0023 0.0031 0.0128 117 ARG 14 NH1 0.0016 0.0008 0.0111 118 ARG 14 NH2 0.0034 0.0024 0.0156 119 ARG 15 N -0.0135 0.0076 0.0058 120 ARG 15 CA -0.0135 0.0082 0.0046 121 ARG 15 C -0.0121 0.0091 0.0059 122 ARG 15 O -0.0108 0.0104 0.0063 123 ARG 15 CB -0.0135 0.0094 0.0025 124 ARG 15 CG -0.0134 0.0101 0.0012 125 ARG 15 CD -0.0135 0.0111 -0.0010 126 ARG 15 NE -0.0135 0.0118 -0.0022 127 ARG 15 CZ -0.0123 0.0133 -0.0025 128 ARG 15 NH1 -0.0109 0.0144 -0.0016 129 ARG 15 NH2 -0.0125 0.0136 -0.0036 130 ILE 16 N -0.0161 0.0060 0.0063 131 ILE 16 CA -0.0143 0.0069 0.0077 132 ILE 16 C -0.0146 0.0078 0.0052 133 ILE 16 O -0.0168 0.0066 0.0036 134 ILE 16 CB -0.0151 0.0050 0.0108 135 ILE 16 CG1 -0.0150 0.0042 0.0133 136 ILE 16 CG2 -0.0133 0.0060 0.0123 137 ILE 16 CD1 -0.0164 0.0020 0.0160 138 VAL 17 N -0.0289 0.0091 -0.0009 139 VAL 17 CA -0.0290 0.0090 -0.0014 140 VAL 17 C -0.0290 0.0090 -0.0008 141 VAL 17 O -0.0285 0.0095 -0.0003 142 VAL 17 CB -0.0284 0.0095 -0.0022 143 VAL 17 CG1 -0.0285 0.0095 -0.0028 144 VAL 17 CG2 -0.0284 0.0095 -0.0028 145 ILE 18 N -0.0342 0.0069 -0.0033 146 ILE 18 CA -0.0314 0.0071 -0.0002 147 ILE 18 C -0.0310 0.0100 -0.0009 148 ILE 18 O -0.0330 0.0095 -0.0029 149 ILE 18 CB -0.0312 0.0027 0.0018 150 ILE 18 CG1 -0.0317 -0.0001 0.0023 151 ILE 18 CG2 -0.0282 0.0030 0.0051 152 ILE 18 CD1 -0.0316 -0.0046 0.0042 153 HIS 19 N -0.0366 0.0168 -0.0014 154 HIS 19 CA -0.0354 0.0197 -0.0003 155 HIS 19 C -0.0323 0.0189 0.0009 156 HIS 19 O -0.0301 0.0176 0.0015 157 HIS 19 CB -0.0354 0.0223 0.0003 158 HIS 19 CG -0.0386 0.0233 -0.0008 159 HIS 19 ND1 -0.0408 0.0253 -0.0014 160 HIS 19 CD2 -0.0398 0.0224 -0.0016 161 HIS 19 CE1 -0.0434 0.0255 -0.0024 162 HIS 19 NE2 -0.0428 0.0238 -0.0026 163 ARG 20 N -0.0371 0.0268 -0.0084 164 ARG 20 CA -0.0322 0.0241 -0.0048 165 ARG 20 C -0.0297 0.0278 0.0003 166 ARG 20 O -0.0310 0.0329 0.0022 167 ARG 20 CB -0.0316 0.0230 -0.0048 168 ARG 20 CG -0.0265 0.0195 -0.0016 169 ARG 20 CD -0.0259 0.0187 -0.0014 170 ARG 20 NE -0.0286 0.0157 -0.0063 171 ARG 20 CZ -0.0274 0.0100 -0.0086 172 ARG 20 NH1 -0.0235 0.0063 -0.0068 173 ARG 20 NH2 -0.0302 0.0081 -0.0129 174 GLY 21 N -0.0257 0.0266 0.0021 175 GLY 21 CA -0.0215 0.0287 0.0038 176 GLY 21 C -0.0175 0.0308 0.0054 177 GLY 21 O -0.0179 0.0307 0.0053 178 SER 22 N -0.0235 0.0379 0.0145 179 SER 22 CA -0.0093 0.0434 0.0204 180 SER 22 C 0.0056 0.0421 0.0112 181 SER 22 O 0.0178 0.0471 0.0169 182 SER 22 CB -0.0099 0.0439 0.0216 183 SER 22 OG -0.0130 0.0372 0.0084 184 THR 23 N 0.0002 0.0329 -0.0130 185 THR 23 CA 0.0037 0.0298 -0.0154 186 THR 23 C -0.0035 0.0280 -0.0129 187 THR 23 O -0.0019 0.0240 -0.0148 188 THR 23 CB 0.0085 0.0212 -0.0198 189 THR 23 OG1 0.0027 0.0142 -0.0195 190 THR 23 CG2 0.0166 0.0231 -0.0226 191 GLY 24 N -0.0128 0.0223 -0.0023 192 GLY 24 CA -0.0191 0.0205 -0.0015 193 GLY 24 C -0.0215 0.0156 -0.0007 194 GLY 24 O -0.0202 0.0157 -0.0008 195 LEU 25 N -0.0213 0.0069 0.0021 196 LEU 25 CA -0.0234 0.0065 -0.0000 197 LEU 25 C -0.0216 0.0045 0.0015 198 LEU 25 O -0.0228 0.0049 0.0003 199 LEU 25 CB -0.0260 0.0038 -0.0032 200 LEU 25 CG -0.0283 0.0060 -0.0052 201 LEU 25 CD1 -0.0306 0.0028 -0.0080 202 LEU 25 CD2 -0.0303 0.0102 -0.0064 203 GLY 26 N -0.0210 -0.0035 0.0020 204 GLY 26 CA -0.0175 -0.0076 0.0023 205 GLY 26 C -0.0198 -0.0112 0.0052 206 GLY 26 O -0.0179 -0.0155 0.0063 207 PHE 27 N -0.0203 -0.0128 0.0121 208 PHE 27 CA -0.0193 -0.0115 0.0109 209 PHE 27 C -0.0185 -0.0147 0.0108 210 PHE 27 O -0.0179 -0.0179 0.0110 211 PHE 27 CB -0.0169 -0.0091 0.0083 212 PHE 27 CG -0.0141 -0.0113 0.0063 213 PHE 27 CD1 -0.0136 -0.0113 0.0058 214 PHE 27 CD2 -0.0121 -0.0132 0.0049 215 PHE 27 CE1 -0.0110 -0.0132 0.0040 216 PHE 27 CE2 -0.0095 -0.0150 0.0030 217 PHE 27 CZ -0.0089 -0.0151 0.0026 218 ASN 28 N -0.0162 -0.0254 0.0118 219 ASN 28 CA -0.0148 -0.0276 0.0114 220 ASN 28 C -0.0040 -0.0207 0.0097 221 ASN 28 O -0.0008 -0.0112 0.0095 222 ASN 28 CB -0.0259 -0.0240 0.0138 223 ASN 28 CG -0.0368 -0.0314 0.0156 224 ASN 28 OD1 -0.0364 -0.0414 0.0149 225 ASN 28 ND2 -0.0470 -0.0269 0.0178 226 ILE 29 N 0.0191 -0.0114 0.0022 227 ILE 29 CA 0.0193 -0.0109 0.0030 228 ILE 29 C 0.0164 -0.0108 0.0045 229 ILE 29 O 0.0140 -0.0116 0.0042 230 ILE 29 CB 0.0204 -0.0119 0.0006 231 ILE 29 CG1 0.0183 -0.0137 -0.0016 232 ILE 29 CG2 0.0236 -0.0117 -0.0006 233 ILE 29 CD1 0.0190 -0.0148 -0.0038 234 VAL 30 N 0.0248 -0.0051 0.0122 235 VAL 30 CA 0.0252 -0.0013 0.0121 236 VAL 30 C 0.0288 0.0000 0.0144 237 VAL 30 O 0.0308 -0.0017 0.0159 238 VAL 30 CB 0.0232 0.0019 0.0104 239 VAL 30 CG1 0.0196 0.0009 0.0081 240 VAL 30 CG2 0.0241 0.0026 0.0109 241 GLY 31 N 0.0219 0.0031 0.0207 242 GLY 31 CA 0.0203 0.0030 0.0215 243 GLY 31 C 0.0180 0.0023 0.0164 244 GLY 31 O 0.0163 0.0019 0.0127 245 GLY 32 N 0.0162 0.0040 0.0176 246 GLY 32 CA 0.0118 0.0032 0.0112 247 GLY 32 C 0.0066 -0.0034 0.0120 248 GLY 32 O 0.0028 -0.0046 0.0073 249 GLU 33 N 0.0054 -0.0159 0.0160 250 GLU 33 CA -0.0061 -0.0267 0.0196 251 GLU 33 C 0.0037 -0.0185 0.0153 252 GLU 33 O 0.0154 -0.0018 0.0185 253 GLU 33 CB -0.0206 -0.0268 0.0411 254 GLU 33 CG -0.0306 -0.0362 0.0443 255 GLU 33 CD -0.0448 -0.0358 0.0658 256 GLU 33 OE1 -0.0524 -0.0422 0.0692 257 GLU 33 OE2 -0.0478 -0.0291 0.0786 258 ASP 34 N 0.0357 -0.0143 0.0236 259 ASP 34 CA 0.0480 -0.0056 0.0103 260 ASP 34 C 0.0460 -0.0009 0.0058 261 ASP 34 O 0.0517 0.0088 -0.0066 262 ASP 34 CB 0.0471 0.0055 -0.0015 263 ASP 34 CG 0.0523 -0.0000 0.0029 264 ASP 34 OD1 0.0645 -0.0106 0.0106 265 ASP 34 OD2 0.0444 0.0062 -0.0015 266 GLY 35 N 0.0206 0.0003 0.0111 267 GLY 35 CA 0.0196 0.0037 0.0083 268 GLY 35 C 0.0219 0.0053 0.0105 269 GLY 35 O 0.0210 0.0074 0.0084 270 GLU 36 N 0.0273 0.0085 0.0173 271 GLU 36 CA 0.0239 0.0113 0.0162 272 GLU 36 C 0.0232 0.0053 0.0164 273 GLU 36 O 0.0230 0.0070 0.0162 274 GLU 36 CB 0.0163 0.0145 0.0139 275 GLU 36 CG 0.0166 0.0215 0.0134 276 GLU 36 CD 0.0093 0.0257 0.0111 277 GLU 36 OE1 0.0097 0.0327 0.0107 278 GLU 36 OE2 0.0035 0.0221 0.0098 279 GLY 37 N 0.0222 0.0035 0.0135 280 GLY 37 CA 0.0247 0.0041 0.0116 281 GLY 37 C 0.0248 0.0041 0.0117 282 GLY 37 O 0.0229 0.0037 0.0132 283 ILE 38 N 0.0248 0.0022 0.0113 284 ILE 38 CA 0.0262 0.0019 0.0084 285 ILE 38 C 0.0297 0.0004 0.0098 286 ILE 38 O 0.0321 -0.0006 0.0109 287 ILE 38 CB 0.0269 0.0019 0.0045 288 ILE 38 CG1 0.0235 0.0033 0.0031 289 ILE 38 CG2 0.0283 0.0016 0.0014 290 ILE 38 CD1 0.0202 0.0046 0.0023 291 PHE 39 N 0.0349 -0.0037 0.0154 292 PHE 39 CA 0.0334 -0.0035 0.0145 293 PHE 39 C 0.0327 -0.0034 0.0156 294 PHE 39 O 0.0338 -0.0035 0.0166 295 PHE 39 CB 0.0340 -0.0036 0.0125 296 PHE 39 CG 0.0347 -0.0037 0.0113 297 PHE 39 CD1 0.0334 -0.0035 0.0101 298 PHE 39 CD2 0.0365 -0.0039 0.0113 299 PHE 39 CE1 0.0340 -0.0036 0.0089 300 PHE 39 CE2 0.0371 -0.0040 0.0102 301 PHE 39 CZ 0.0358 -0.0038 0.0090 302 ILE 40 N 0.0144 -0.0019 0.0125 303 ILE 40 CA 0.0097 -0.0029 0.0138 304 ILE 40 C 0.0067 -0.0000 0.0132 305 ILE 40 O 0.0063 0.0039 0.0117 306 ILE 40 CB 0.0081 -0.0022 0.0138 307 ILE 40 CG1 0.0111 -0.0049 0.0143 308 ILE 40 CG2 0.0031 -0.0032 0.0152 309 ILE 40 CD1 0.0114 -0.0098 0.0162 310 SER 41 N 0.0018 0.0002 0.0132 311 SER 41 CA -0.0055 0.0060 0.0119 312 SER 41 C -0.0144 0.0048 0.0111 313 SER 41 O -0.0197 0.0112 0.0099 314 SER 41 CB -0.0072 0.0042 0.0119 315 SER 41 OG -0.0097 -0.0050 0.0127 316 PHE 42 N -0.0193 0.0004 0.0163 317 PHE 42 CA -0.0269 0.0003 0.0187 318 PHE 42 C -0.0216 -0.0045 0.0159 319 PHE 42 O -0.0158 -0.0125 0.0122 320 PHE 42 CB -0.0374 -0.0067 0.0205 321 PHE 42 CG -0.0456 -0.0084 0.0227 322 PHE 42 CD1 -0.0462 -0.0185 0.0206 323 PHE 42 CD2 -0.0525 0.0001 0.0269 324 PHE 42 CE1 -0.0537 -0.0201 0.0227 325 PHE 42 CE2 -0.0600 -0.0014 0.0290 326 PHE 42 CZ -0.0606 -0.0115 0.0269 327 ILE 43 N -0.0221 -0.0138 0.0188 328 ILE 43 CA -0.0200 -0.0165 0.0173 329 ILE 43 C -0.0222 -0.0175 0.0158 330 ILE 43 O -0.0236 -0.0157 0.0168 331 ILE 43 CB -0.0163 -0.0159 0.0189 332 ILE 43 CG1 -0.0140 -0.0150 0.0203 333 ILE 43 CG2 -0.0142 -0.0187 0.0173 334 ILE 43 CD1 -0.0104 -0.0143 0.0220 335 LEU 44 N -0.0178 -0.0196 0.0086 336 LEU 44 CA -0.0084 -0.0195 -0.0018 337 LEU 44 C 0.0018 -0.0288 -0.0014 338 LEU 44 O 0.0026 -0.0298 -0.0011 339 LEU 44 CB -0.0106 -0.0096 -0.0118 340 LEU 44 CG -0.0011 -0.0087 -0.0235 341 LEU 44 CD1 0.0010 -0.0080 -0.0267 342 LEU 44 CD2 -0.0037 0.0008 -0.0325 343 ALA 45 N 0.0155 -0.0366 -0.0014 344 ALA 45 CA 0.0292 -0.0504 -0.0024 345 ALA 45 C 0.0373 -0.0420 -0.0149 346 ALA 45 O 0.0418 -0.0294 -0.0276 347 ALA 45 CB 0.0428 -0.0619 -0.0050 348 GLY 46 N 0.0295 -0.0420 -0.0153 349 GLY 46 CA 0.0323 -0.0371 -0.0200 350 GLY 46 C 0.0236 -0.0218 -0.0179 351 GLY 46 O 0.0256 -0.0163 -0.0219 352 GLY 47 N 0.0082 -0.0201 -0.0104 353 GLY 47 CA 0.0014 -0.0116 -0.0092 354 GLY 47 C -0.0055 -0.0136 -0.0041 355 GLY 47 O -0.0060 -0.0219 -0.0008 356 PRO 48 N -0.0124 -0.0039 -0.0020 357 PRO 48 CA -0.0164 -0.0050 0.0018 358 PRO 48 C -0.0203 -0.0097 0.0074 359 PRO 48 O -0.0211 -0.0139 0.0102 360 PRO 48 CB -0.0204 0.0022 0.0011 361 PRO 48 CG -0.0163 0.0067 -0.0045 362 PRO 48 CD -0.0129 0.0034 -0.0055 363 ALA 49 N -0.0161 -0.0149 0.0088 364 ALA 49 CA -0.0186 -0.0181 0.0120 365 ALA 49 C -0.0158 -0.0226 0.0131 366 ALA 49 O -0.0171 -0.0255 0.0155 367 ALA 49 CB -0.0209 -0.0170 0.0127 368 ASP 50 N -0.0180 -0.0270 0.0093 369 ASP 50 CA -0.0126 -0.0360 0.0093 370 ASP 50 C -0.0129 -0.0363 0.0094 371 ASP 50 O -0.0156 -0.0437 0.0112 372 ASP 50 CB -0.0021 -0.0358 0.0066 373 ASP 50 CG 0.0042 -0.0453 0.0064 374 ASP 50 OD1 0.0006 -0.0535 0.0086 375 ASP 50 OD2 0.0129 -0.0440 0.0040 376 LEU 51 N -0.0124 -0.0373 0.0028 377 LEU 51 CA -0.0139 -0.0400 0.0038 378 LEU 51 C -0.0222 -0.0423 0.0097 379 LEU 51 O -0.0238 -0.0476 0.0108 380 LEU 51 CB -0.0113 -0.0324 0.0021 381 LEU 51 CG -0.0028 -0.0310 -0.0040 382 LEU 51 CD1 -0.0010 -0.0227 -0.0051 383 LEU 51 CD2 0.0012 -0.0393 -0.0070 384 SER 52 N -0.0129 -0.0240 0.0089 385 SER 52 CA -0.0121 -0.0248 0.0130 386 SER 52 C -0.0117 -0.0255 0.0143 387 SER 52 O -0.0110 -0.0275 0.0170 388 SER 52 CB -0.0122 -0.0216 0.0154 389 SER 52 OG -0.0126 -0.0183 0.0158 390 GLY 53 N -0.0101 -0.0302 0.0148 391 GLY 53 CA -0.0099 -0.0256 0.0138 392 GLY 53 C -0.0042 -0.0201 0.0179 393 GLY 53 O -0.0039 -0.0155 0.0171 394 GLU 54 N -0.0015 -0.0080 0.0189 395 GLU 54 CA -0.0031 -0.0086 0.0193 396 GLU 54 C -0.0035 -0.0086 0.0193 397 GLU 54 O -0.0045 -0.0096 0.0197 398 GLU 54 CB -0.0043 -0.0075 0.0192 399 GLU 54 CG -0.0040 -0.0075 0.0191 400 GLU 54 CD -0.0053 -0.0066 0.0191 401 GLU 54 OE1 -0.0058 -0.0071 0.0193 402 GLU 54 OE2 -0.0057 -0.0053 0.0188 403 LEU 55 N -0.0003 -0.0098 0.0204 404 LEU 55 CA -0.0016 -0.0077 0.0205 405 LEU 55 C -0.0029 -0.0061 0.0201 406 LEU 55 O -0.0036 -0.0069 0.0187 407 LEU 55 CB -0.0026 -0.0082 0.0189 408 LEU 55 CG -0.0036 -0.0062 0.0192 409 LEU 55 CD1 -0.0023 -0.0057 0.0211 410 LEU 55 CD2 -0.0048 -0.0067 0.0174 411 ARG 56 N 0.0030 -0.0015 0.0223 412 ARG 56 CA 0.0020 -0.0003 0.0228 413 ARG 56 C 0.0022 -0.0019 0.0231 414 ARG 56 O 0.0036 -0.0033 0.0223 415 ARG 56 CB 0.0027 0.0021 0.0217 416 ARG 56 CG 0.0025 0.0037 0.0214 417 ARG 56 CD 0.0032 0.0060 0.0203 418 ARG 56 NE 0.0030 0.0076 0.0200 419 ARG 56 CZ 0.0022 0.0098 0.0201 420 ARG 56 NH1 0.0014 0.0110 0.0204 421 ARG 56 NH2 0.0022 0.0110 0.0198 422 LYS 57 N 0.0029 -0.0047 0.0194 423 LYS 57 CA 0.0010 0.0014 0.0189 424 LYS 57 C 0.0084 0.0097 0.0212 425 LYS 57 O 0.0103 0.0145 0.0219 426 LYS 57 CB -0.0092 0.0054 0.0158 427 LYS 57 CG -0.0117 0.0115 0.0151 428 LYS 57 CD -0.0218 0.0157 0.0121 429 LYS 57 CE -0.0235 0.0223 0.0117 430 LYS 57 NZ -0.0328 0.0274 0.0089 431 GLY 58 N 0.0177 -0.0044 0.0223 432 GLY 58 CA 0.0232 -0.0005 0.0214 433 GLY 58 C 0.0297 -0.0029 0.0213 434 GLY 58 O 0.0346 -0.0006 0.0207 435 ASP 59 N 0.0230 -0.0011 0.0134 436 ASP 59 CA 0.0223 -0.0008 0.0137 437 ASP 59 C 0.0261 -0.0022 0.0148 438 ASP 59 O 0.0281 -0.0029 0.0178 439 ASP 59 CB 0.0194 0.0005 0.0171 440 ASP 59 CG 0.0152 0.0020 0.0158 441 ASP 59 OD1 0.0142 0.0023 0.0121 442 ASP 59 OD2 0.0128 0.0030 0.0187 443 ARG 60 N 0.0265 -0.0061 0.0066 444 ARG 60 CA 0.0243 -0.0022 0.0081 445 ARG 60 C 0.0207 0.0040 0.0104 446 ARG 60 O 0.0159 0.0034 0.0107 447 ARG 60 CB 0.0194 -0.0064 0.0073 448 ARG 60 CG 0.0177 -0.0027 0.0086 449 ARG 60 CD 0.0129 -0.0070 0.0077 450 ARG 60 NE 0.0112 -0.0036 0.0090 451 ARG 60 CZ 0.0072 -0.0059 0.0087 452 ARG 60 NH1 0.0038 -0.0116 0.0072 453 ARG 60 NH2 0.0064 -0.0025 0.0098 454 ILE 61 N 0.0184 0.0065 0.0053 455 ILE 61 CA 0.0195 0.0055 0.0032 456 ILE 61 C 0.0201 0.0050 0.0022 457 ILE 61 O 0.0187 0.0043 0.0022 458 ILE 61 CB 0.0180 0.0040 0.0022 459 ILE 61 CG1 0.0173 0.0045 0.0034 460 ILE 61 CG2 0.0193 0.0030 0.0001 461 ILE 61 CD1 0.0159 0.0031 0.0024 462 ILE 62 N 0.0160 0.0115 -0.0027 463 ILE 62 CA 0.0169 0.0111 -0.0036 464 ILE 62 C 0.0172 0.0103 -0.0028 465 ILE 62 O 0.0182 0.0094 -0.0031 466 ILE 62 CB 0.0165 0.0122 -0.0047 467 ILE 62 CG1 0.0161 0.0131 -0.0056 468 ILE 62 CG2 0.0174 0.0119 -0.0057 469 ILE 62 CD1 0.0170 0.0127 -0.0063 470 SER 63 N 0.0150 0.0136 -0.0079 471 SER 63 CA 0.0156 0.0096 -0.0069 472 SER 63 C 0.0121 0.0080 -0.0053 473 SER 63 O 0.0097 0.0100 -0.0052 474 SER 63 CB 0.0189 0.0088 -0.0076 475 SER 63 OG 0.0181 0.0103 -0.0078 476 VAL 64 N 0.0085 0.0034 -0.0092 477 VAL 64 CA 0.0065 0.0004 -0.0100 478 VAL 64 C 0.0081 -0.0026 -0.0084 479 VAL 64 O 0.0095 -0.0024 -0.0074 480 VAL 64 CB 0.0042 0.0010 -0.0117 481 VAL 64 CG1 0.0023 -0.0022 -0.0124 482 VAL 64 CG2 0.0024 0.0037 -0.0134 483 ASN 65 N -0.0038 0.0071 -0.0098 484 ASN 65 CA -0.0011 0.0038 -0.0090 485 ASN 65 C 0.0032 0.0051 -0.0082 486 ASN 65 O 0.0048 0.0077 -0.0080 487 ASN 65 CB -0.0025 -0.0001 -0.0090 488 ASN 65 CG -0.0065 -0.0016 -0.0098 489 ASN 65 OD1 -0.0077 -0.0007 -0.0101 490 ASN 65 ND2 -0.0086 -0.0040 -0.0100 491 SER 66 N 0.0143 0.0029 -0.0000 492 SER 66 CA 0.0124 -0.0056 -0.0185 493 SER 66 C 0.0668 -0.0267 -0.0384 494 SER 66 O 0.0732 -0.0329 -0.0485 495 SER 66 CB -0.0042 0.0182 0.0236 496 SER 66 OG -0.0533 0.0383 0.0435 497 VAL 67 N 0.0276 -0.0063 -0.0109 498 VAL 67 CA 0.0279 -0.0048 -0.0113 499 VAL 67 C 0.0279 -0.0019 -0.0121 500 VAL 67 O 0.0259 -0.0009 -0.0127 501 VAL 67 CB 0.0257 -0.0057 -0.0114 502 VAL 67 CG1 0.0262 -0.0044 -0.0117 503 VAL 67 CG2 0.0257 -0.0087 -0.0106 504 ASP 68 N 0.0382 -0.0066 -0.0173 505 ASP 68 CA 0.0379 -0.0001 -0.0138 506 ASP 68 C 0.0303 0.0007 -0.0115 507 ASP 68 O 0.0273 -0.0031 -0.0129 508 ASP 68 CB 0.0434 0.0012 -0.0144 509 ASP 68 CG 0.0444 0.0082 -0.0109 510 ASP 68 OD1 0.0401 0.0120 -0.0078 511 ASP 68 OD2 0.0500 0.0100 -0.0112 512 LEU 69 N 0.0236 0.0063 -0.0065 513 LEU 69 CA 0.0198 0.0073 -0.0055 514 LEU 69 C 0.0190 0.0097 -0.0019 515 LEU 69 O 0.0162 0.0108 -0.0007 516 LEU 69 CB 0.0196 0.0068 -0.0064 517 LEU 69 CG 0.0199 0.0044 -0.0101 518 LEU 69 CD1 0.0190 0.0042 -0.0106 519 LEU 69 CD2 0.0170 0.0033 -0.0124 520 ARG 70 N 0.0198 0.0006 0.0036 521 ARG 70 CA 0.0211 0.0099 0.0048 522 ARG 70 C 0.0178 0.0071 0.0058 523 ARG 70 O 0.0141 0.0141 0.0089 524 ARG 70 CB 0.0320 0.0146 0.0004 525 ARG 70 CG 0.0346 0.0206 0.0004 526 ARG 70 CD 0.0456 0.0252 -0.0039 527 ARG 70 NE 0.0526 0.0166 -0.0089 528 ARG 70 CZ 0.0624 0.0181 -0.0134 529 ARG 70 NH1 0.0671 0.0278 -0.0137 530 ARG 70 NH2 0.0678 0.0098 -0.0175 531 ALA 71 N 0.0173 0.0110 0.0049 532 ALA 71 CA 0.0142 0.0144 0.0049 533 ALA 71 C 0.0113 0.0134 0.0008 534 ALA 71 O 0.0093 0.0153 0.0004 535 ALA 71 CB 0.0158 0.0157 0.0080 536 ALA 72 N 0.0112 0.0117 -0.0018 537 ALA 72 CA 0.0103 0.0136 -0.0075 538 ALA 72 C 0.0083 0.0133 -0.0058 539 ALA 72 O 0.0105 0.0116 -0.0012 540 ALA 72 CB 0.0167 0.0141 -0.0116 541 SER 73 N 0.0006 0.0183 -0.0098 542 SER 73 CA -0.0032 0.0199 -0.0116 543 SER 73 C 0.0024 0.0177 -0.0164 544 SER 73 O 0.0084 0.0153 -0.0198 545 SER 73 CB -0.0108 0.0231 -0.0164 546 SER 73 OG -0.0098 0.0228 -0.0252 547 HIS 74 N -0.0006 0.0083 -0.0131 548 HIS 74 CA 0.0062 0.0091 -0.0149 549 HIS 74 C 0.0075 0.0116 -0.0247 550 HIS 74 O 0.0150 0.0128 -0.0279 551 HIS 74 CB 0.0037 0.0079 -0.0104 552 HIS 74 CG 0.0112 0.0084 -0.0107 553 HIS 74 ND1 0.0180 0.0072 -0.0045 554 HIS 74 CD2 0.0129 0.0101 -0.0172 555 HIS 74 CE1 0.0236 0.0082 -0.0072 556 HIS 74 NE2 0.0208 0.0099 -0.0149 557 GLU 75 N -0.0010 0.0222 -0.0340 558 GLU 75 CA -0.0009 0.0259 -0.0448 559 GLU 75 C 0.0027 0.0229 -0.0440 560 GLU 75 O 0.0084 0.0215 -0.0522 561 GLU 75 CB -0.0111 0.0348 -0.0480 562 GLU 75 CG -0.0156 0.0388 -0.0495 563 GLU 75 CD -0.0192 0.0375 -0.0381 564 GLU 75 OE1 -0.0200 0.0383 -0.0389 565 GLU 75 OE2 -0.0206 0.0353 -0.0289 566 GLN 76 N 0.0047 0.0220 -0.0351 567 GLN 76 CA 0.0062 0.0206 -0.0343 568 GLN 76 C 0.0110 0.0171 -0.0343 569 GLN 76 O 0.0133 0.0162 -0.0367 570 GLN 76 CB 0.0039 0.0207 -0.0293 571 GLN 76 CG -0.0007 0.0242 -0.0294 572 GLN 76 CD -0.0030 0.0243 -0.0243 573 GLN 76 OE1 -0.0022 0.0225 -0.0204 574 GLN 76 NE2 -0.0059 0.0264 -0.0241 575 ALA 77 N 0.0099 0.0122 -0.0263 576 ALA 77 CA 0.0117 0.0106 -0.0264 577 ALA 77 C 0.0113 0.0092 -0.0294 578 ALA 77 O 0.0131 0.0072 -0.0303 579 ALA 77 CB 0.0116 0.0120 -0.0243 580 ALA 78 N 0.0066 0.0158 -0.0384 581 ALA 78 CA 0.0076 0.0156 -0.0426 582 ALA 78 C 0.0072 0.0161 -0.0411 583 ALA 78 O 0.0076 0.0132 -0.0428 584 ALA 78 CB 0.0084 0.0197 -0.0463 585 ALA 79 N 0.0057 0.0227 -0.0424 586 ALA 79 CA 0.0051 0.0226 -0.0363 587 ALA 79 C 0.0034 0.0105 -0.0286 588 ALA 79 O 0.0030 0.0047 -0.0296 589 ALA 79 CB 0.0054 0.0345 -0.0280 590 ALA 80 N 0.0054 0.0038 -0.0265 591 ALA 80 CA 0.0036 -0.0002 -0.0240 592 ALA 80 C -0.0013 -0.0041 -0.0268 593 ALA 80 O -0.0032 -0.0084 -0.0241 594 ALA 80 CB 0.0053 0.0020 -0.0241 595 LEU 81 N -0.0062 -0.0060 -0.0268 596 LEU 81 CA -0.0059 -0.0059 -0.0266 597 LEU 81 C -0.0071 -0.0077 -0.0285 598 LEU 81 O -0.0059 -0.0083 -0.0293 599 LEU 81 CB -0.0075 -0.0041 -0.0246 600 LEU 81 CG -0.0061 -0.0022 -0.0226 601 LEU 81 CD1 -0.0082 -0.0006 -0.0208 602 LEU 81 CD2 -0.0035 -0.0018 -0.0223 603 LYS 82 N -0.0126 -0.0155 -0.0279 604 LYS 82 CA -0.0134 -0.0155 -0.0374 605 LYS 82 C -0.0124 -0.0228 -0.0285 606 LYS 82 O -0.0126 -0.0321 -0.0354 607 LYS 82 CB -0.0145 0.0013 -0.0426 608 LYS 82 CG -0.0155 0.0022 -0.0534 609 LYS 82 CD -0.0166 0.0192 -0.0586 610 LYS 82 CE -0.0175 0.0202 -0.0691 611 LYS 82 NZ -0.0185 0.0366 -0.0741 612 ASN 83 N -0.0068 -0.0126 -0.0276 613 ASN 83 CA -0.0063 -0.0155 -0.0216 614 ASN 83 C -0.0095 -0.0193 -0.0202 615 ASN 83 O -0.0100 -0.0225 -0.0155 616 ASN 83 CB -0.0012 -0.0124 -0.0181 617 ASN 83 CG 0.0020 -0.0091 -0.0186 618 ASN 83 OD1 0.0006 -0.0097 -0.0198 619 ASN 83 ND2 0.0064 -0.0053 -0.0176 620 ALA 84 N -0.0178 -0.0101 -0.0218 621 ALA 84 CA -0.0190 -0.0064 -0.0229 622 ALA 84 C -0.0219 -0.0061 -0.0196 623 ALA 84 O -0.0239 -0.0068 -0.0165 624 ALA 84 CB -0.0199 -0.0027 -0.0246 625 GLY 85 N -0.0319 0.0056 -0.0202 626 GLY 85 CA -0.0339 0.0092 -0.0154 627 GLY 85 C -0.0360 0.0132 -0.0125 628 GLY 85 O -0.0355 0.0122 -0.0126 629 GLN 86 N -0.0391 0.0258 -0.0061 630 GLN 86 CA -0.0379 0.0276 -0.0039 631 GLN 86 C -0.0401 0.0267 -0.0068 632 GLN 86 O -0.0384 0.0256 -0.0055 633 GLN 86 CB -0.0383 0.0335 -0.0016 634 GLN 86 CG -0.0352 0.0346 0.0023 635 GLN 86 CD -0.0311 0.0321 0.0059 636 GLN 86 OE1 -0.0304 0.0303 0.0058 637 GLN 86 NE2 -0.0281 0.0319 0.0090 638 THR 87 N -0.0334 0.0170 -0.0033 639 THR 87 CA -0.0344 0.0178 -0.0059 640 THR 87 C -0.0336 0.0150 -0.0085 641 THR 87 O -0.0334 0.0138 -0.0100 642 THR 87 CB -0.0361 0.0206 -0.0076 643 THR 87 OG1 -0.0367 0.0232 -0.0051 644 THR 87 CG2 -0.0371 0.0217 -0.0102 645 VAL 88 N -0.0298 0.0073 -0.0113 646 VAL 88 CA -0.0300 0.0067 -0.0115 647 VAL 88 C -0.0305 0.0061 -0.0117 648 VAL 88 O -0.0302 0.0057 -0.0117 649 VAL 88 CB -0.0292 0.0062 -0.0114 650 VAL 88 CG1 -0.0295 0.0056 -0.0115 651 VAL 88 CG2 -0.0287 0.0068 -0.0111 652 THR 89 N -0.0175 0.0085 -0.0011 653 THR 89 CA -0.0170 0.0105 -0.0035 654 THR 89 C -0.0153 0.0109 -0.0049 655 THR 89 O -0.0130 0.0095 -0.0049 656 THR 89 CB -0.0156 0.0103 -0.0041 657 THR 89 OG1 -0.0173 0.0101 -0.0028 658 THR 89 CG2 -0.0151 0.0124 -0.0066 659 ILE 90 N -0.0081 0.0057 -0.0028 660 ILE 90 CA -0.0083 0.0066 -0.0025 661 ILE 90 C -0.0071 0.0081 -0.0027 662 ILE 90 O -0.0069 0.0090 -0.0026 663 ILE 90 CB -0.0101 0.0071 -0.0018 664 ILE 90 CG1 -0.0112 0.0056 -0.0017 665 ILE 90 CG2 -0.0103 0.0080 -0.0015 666 ILE 90 CD1 -0.0130 0.0059 -0.0009 667 ILE 91 N 0.0026 0.0123 0.0011 668 ILE 91 CA 0.0022 0.0123 -0.0009 669 ILE 91 C 0.0032 0.0118 -0.0018 670 ILE 91 O 0.0048 0.0111 -0.0016 671 ILE 91 CB 0.0025 0.0121 -0.0016 672 ILE 91 CG1 0.0016 0.0126 -0.0006 673 ILE 91 CG2 0.0020 0.0121 -0.0036 674 ILE 91 CD1 -0.0003 0.0134 -0.0004 675 ALA 92 N 0.0051 0.0088 0.0016 676 ALA 92 CA 0.0062 0.0062 0.0031 677 ALA 92 C 0.0054 0.0061 0.0009 678 ALA 92 O 0.0042 0.0088 -0.0007 679 ALA 92 CB 0.0074 0.0074 0.0071 680 GLN 93 N 0.0105 0.0051 0.0022 681 GLN 93 CA 0.0094 0.0021 0.0011 682 GLN 93 C 0.0123 -0.0012 0.0034 683 GLN 93 O 0.0138 -0.0033 0.0044 684 GLN 93 CB 0.0062 -0.0002 -0.0017 685 GLN 93 CG 0.0048 -0.0036 -0.0030 686 GLN 93 CD 0.0016 -0.0058 -0.0058 687 GLN 93 OE1 0.0011 -0.0066 -0.0062 688 GLN 93 NE2 -0.0008 -0.0068 -0.0078 689 TYR 94 N 0.0107 0.0014 0.0034 690 TYR 94 CA 0.0124 -0.0012 0.0058 691 TYR 94 C 0.0132 -0.0061 0.0013 692 TYR 94 O 0.0116 -0.0056 -0.0041 693 TYR 94 CB 0.0109 0.0034 0.0073 694 TYR 94 CG 0.0128 0.0015 0.0115 695 TYR 94 CD1 0.0128 -0.0002 0.0092 696 TYR 94 CD2 0.0144 0.0012 0.0176 697 TYR 94 CE1 0.0146 -0.0021 0.0131 698 TYR 94 CE2 0.0162 -0.0007 0.0215 699 TYR 94 CZ 0.0163 -0.0023 0.0193 700 TYR 94 OH 0.0179 -0.0041 0.0230 701 LYS 95 N 0.0199 0.0187 0.0074 702 LYS 95 CA 0.0191 -0.0325 -0.0175 703 LYS 95 C 0.0194 -0.0184 -0.0099 704 LYS 95 O 0.0251 0.0048 0.0401 705 LYS 95 CB 0.0263 -0.0955 0.0113 706 LYS 95 CG 0.0247 -0.1510 -0.0210 707 LYS 95 CD 0.0317 -0.2135 0.0070 708 LYS 95 CE 0.0299 -0.2685 -0.0269 709 LYS 95 NZ 0.0367 -0.3294 0.0002 710 LYS 95 OXT 0.0142 -0.0345 -0.0542