1 GLY 1 N 0.0166 -0.0600 0.1183 2 GLY 1 CA -0.0236 -0.0891 0.0651 3 GLY 1 C -0.0286 -0.0471 0.0018 4 GLY 1 O -0.0083 -0.0035 -0.0072 5 ARG 2 N -0.0182 -0.0169 -0.0316 6 ARG 2 CA -0.0226 -0.0132 -0.0345 7 ARG 2 C -0.0262 -0.0170 -0.0374 8 ARG 2 O -0.0253 -0.0196 -0.0369 9 ARG 2 CB -0.0218 -0.0075 -0.0335 10 ARG 2 CG -0.0259 -0.0028 -0.0362 11 ARG 2 CD -0.0253 0.0028 -0.0353 12 ARG 2 NE -0.0216 0.0065 -0.0323 13 ARG 2 CZ -0.0214 0.0124 -0.0317 14 ARG 2 NH1 -0.0244 0.0157 -0.0337 15 ARG 2 NH2 -0.0179 0.0150 -0.0290 16 ILE 3 N 0.0044 -0.0103 -0.0085 17 ILE 3 CA -0.0039 -0.0163 -0.0153 18 ILE 3 C -0.0076 -0.0112 -0.0209 19 ILE 3 O -0.0058 -0.0012 -0.0225 20 ILE 3 CB -0.0086 -0.0165 -0.0202 21 ILE 3 CG1 -0.0055 -0.0236 -0.0145 22 ILE 3 CG2 -0.0177 -0.0208 -0.0283 23 ILE 3 CD1 -0.0089 -0.0231 -0.0183 24 ALA 4 N 0.0237 0.0292 0.0177 25 ALA 4 CA 0.0270 0.0276 0.0230 26 ALA 4 C 0.0312 0.0141 0.0314 27 ALA 4 O 0.0369 0.0116 0.0406 28 ALA 4 CB 0.0324 0.0413 0.0299 29 SER 5 N 0.0204 0.0280 0.0189 30 SER 5 CA 0.0306 0.0075 0.0175 31 SER 5 C 0.0366 -0.0047 0.0165 32 SER 5 O 0.0485 -0.0207 0.0178 33 SER 5 CB 0.0184 -0.0047 0.0049 34 SER 5 OG 0.0011 -0.0058 -0.0064 35 ILE 6 N 0.0252 0.0079 0.0097 36 ILE 6 CA 0.0240 0.0060 0.0061 37 ILE 6 C 0.0243 0.0107 0.0121 38 ILE 6 O 0.0207 0.0174 0.0157 39 ILE 6 CB 0.0169 0.0072 -0.0015 40 ILE 6 CG1 0.0170 0.0018 -0.0078 41 ILE 6 CG2 0.0151 0.0062 -0.0048 42 ILE 6 CD1 0.0096 0.0041 -0.0143 43 PRO 7 N 0.0148 0.0108 0.0054 44 PRO 7 CA 0.0140 0.0183 0.0141 45 PRO 7 C 0.0113 0.0297 0.0107 46 PRO 7 O 0.0102 0.0323 0.0042 47 PRO 7 CB 0.0153 0.0144 0.0191 48 PRO 7 CG 0.0176 0.0025 0.0171 49 PRO 7 CD 0.0168 0.0014 0.0063 50 GLY 8 N 0.0100 0.0197 -0.0044 51 GLY 8 CA 0.0083 0.0169 -0.0034 52 GLY 8 C 0.0146 0.0114 0.0008 53 GLY 8 O 0.0128 0.0072 0.0025 54 GLU 9 N 0.0177 0.0129 0.0065 55 GLU 9 CA 0.0204 0.0110 0.0074 56 GLU 9 C 0.0203 0.0075 0.0058 57 GLU 9 O 0.0223 0.0052 0.0060 58 GLU 9 CB 0.0207 0.0129 0.0083 59 GLU 9 CG 0.0235 0.0116 0.0095 60 GLU 9 CD 0.0235 0.0137 0.0104 61 GLU 9 OE1 0.0213 0.0160 0.0100 62 GLU 9 OE2 0.0257 0.0128 0.0113 63 ALA 10 N 0.0286 0.0063 0.0107 64 ALA 10 CA 0.0267 0.0058 0.0157 65 ALA 10 C 0.0188 -0.0096 0.0069 66 ALA 10 O 0.0113 -0.0166 0.0158 67 ALA 10 CB 0.0386 0.0207 0.0103 68 GLU 11 N 0.0055 -0.0185 -0.0104 69 GLU 11 CA -0.0051 -0.0237 -0.0156 70 GLU 11 C -0.0055 -0.0295 -0.0122 71 GLU 11 O -0.0122 -0.0389 -0.0118 72 GLU 11 CB -0.0099 -0.0139 -0.0254 73 GLU 11 CG -0.0218 -0.0177 -0.0325 74 GLU 11 CD -0.0252 -0.0073 -0.0416 75 GLU 11 OE1 -0.0186 0.0026 -0.0425 76 GLU 11 OE2 -0.0344 -0.0094 -0.0475 77 TYR 12 N -0.0030 -0.0262 -0.0045 78 TYR 12 CA -0.0025 -0.0265 -0.0042 79 TYR 12 C -0.0006 -0.0277 -0.0030 80 TYR 12 O 0.0004 -0.0277 -0.0026 81 TYR 12 CB -0.0020 -0.0242 -0.0048 82 TYR 12 CG -0.0041 -0.0232 -0.0060 83 TYR 12 CD1 -0.0056 -0.0239 -0.0063 84 TYR 12 CD2 -0.0046 -0.0216 -0.0068 85 TYR 12 CE1 -0.0075 -0.0231 -0.0074 86 TYR 12 CE2 -0.0066 -0.0208 -0.0078 87 TYR 12 CZ -0.0081 -0.0215 -0.0081 88 TYR 12 OH -0.0101 -0.0208 -0.0092 89 LEU 13 N 0.0084 -0.0217 -0.0012 90 LEU 13 CA 0.0055 -0.0206 0.0153 91 LEU 13 C -0.0049 -0.0309 0.0210 92 LEU 13 O -0.0068 -0.0342 0.0167 93 LEU 13 CB 0.0142 -0.0089 0.0224 94 LEU 13 CG 0.0130 -0.0056 0.0397 95 LEU 13 CD1 0.0137 -0.0037 0.0439 96 LEU 13 CD2 0.0214 0.0056 0.0457 97 GLY 14 N -0.0104 -0.0243 0.0235 98 GLY 14 CA -0.0146 -0.0334 0.0259 99 GLY 14 C -0.0187 -0.0384 0.0195 100 GLY 14 O -0.0225 -0.0460 0.0205 101 ARG 15 N -0.0005 -0.0395 -0.0114 102 ARG 15 CA -0.0021 -0.0361 -0.0110 103 ARG 15 C 0.0001 -0.0291 -0.0083 104 ARG 15 O -0.0030 -0.0243 -0.0081 105 ARG 15 CB -0.0095 -0.0355 -0.0134 106 ARG 15 CG -0.0123 -0.0422 -0.0163 107 ARG 15 CD -0.0191 -0.0412 -0.0183 108 ARG 15 NE -0.0238 -0.0380 -0.0190 109 ARG 15 CZ -0.0291 -0.0340 -0.0197 110 ARG 15 NH1 -0.0307 -0.0324 -0.0198 111 ARG 15 NH2 -0.0330 -0.0316 -0.0203 112 GLY 16 N -0.0025 -0.0174 -0.0092 113 GLY 16 CA -0.0008 -0.0157 -0.0114 114 GLY 16 C 0.0040 -0.0122 -0.0092 115 GLY 16 O 0.0055 -0.0112 -0.0081 116 VAL 17 N 0.0057 -0.0090 0.0024 117 VAL 17 CA 0.0087 -0.0064 0.0041 118 VAL 17 C 0.0078 -0.0054 0.0090 119 VAL 17 O 0.0067 -0.0055 0.0112 120 VAL 17 CB 0.0126 -0.0042 0.0027 121 VAL 17 CG1 0.0157 -0.0014 0.0048 122 VAL 17 CG2 0.0136 -0.0051 -0.0023 123 SER 18 N 0.0022 -0.0051 0.0019 124 SER 18 CA -0.0012 -0.0020 0.0040 125 SER 18 C -0.0036 -0.0001 0.0053 126 SER 18 O -0.0034 -0.0021 0.0050 127 SER 18 CB -0.0046 -0.0046 0.0052 128 SER 18 OG -0.0080 -0.0016 0.0072 129 TYR 19 N -0.0145 0.0102 0.0072 130 TYR 19 CA -0.0114 0.0105 0.0079 131 TYR 19 C -0.0194 0.0120 0.0101 132 TYR 19 O -0.0179 0.0137 0.0130 133 TYR 19 CB -0.0036 0.0143 0.0143 134 TYR 19 CG 0.0045 0.0133 0.0131 135 TYR 19 CD1 0.0111 0.0096 0.0070 136 TYR 19 CD2 0.0057 0.0164 0.0181 137 TYR 19 CE1 0.0186 0.0088 0.0060 138 TYR 19 CE2 0.0132 0.0156 0.0171 139 TYR 19 CZ 0.0196 0.0118 0.0110 140 TYR 19 OH 0.0270 0.0111 0.0100 141 CYS 20 N -0.0138 0.0031 0.0089 142 CYS 20 CA -0.0093 0.0000 0.0121 143 CYS 20 C -0.0111 0.0026 0.0100 144 CYS 20 O -0.0169 -0.0001 0.0099 145 CYS 20 CB -0.0110 -0.0081 0.0167 146 CYS 20 SG -0.0041 -0.0121 0.0212 147 ALA 21 N -0.0086 0.0002 0.0023 148 ALA 21 CA -0.0077 0.0039 0.0013 149 ALA 21 C -0.0059 0.0038 0.0003 150 ALA 21 O -0.0063 0.0064 0.0002 151 ALA 21 CB -0.0056 0.0058 -0.0002 152 THR 22 N -0.0004 0.0006 0.0010 153 THR 22 CA 0.0013 0.0021 -0.0017 154 THR 22 C -0.0089 0.0028 0.0080 155 THR 22 O -0.0107 0.0090 0.0059 156 THR 22 CB 0.0120 -0.0089 -0.0054 157 THR 22 OG1 0.0124 -0.0224 0.0026 158 THR 22 CG2 0.0227 -0.0076 -0.0169 159 CYS 23 N -0.0130 -0.0050 0.0091 160 CYS 23 CA -0.0191 0.0063 0.0248 161 CYS 23 C -0.0251 0.0111 0.0226 162 CYS 23 O -0.0377 0.0232 0.0236 163 CYS 23 CB -0.0075 0.0019 0.0432 164 CYS 23 SG -0.0154 0.0164 0.0636 165 ASP 24 N -0.0069 -0.0018 0.0044 166 ASP 24 CA -0.0105 -0.0002 0.0027 167 ASP 24 C -0.0118 0.0017 -0.0030 168 ASP 24 O -0.0151 0.0033 -0.0047 169 ASP 24 CB -0.0082 -0.0011 0.0033 170 ASP 24 CG -0.0071 -0.0029 0.0089 171 ASP 24 OD1 -0.0084 -0.0034 0.0126 172 ASP 24 OD2 -0.0050 -0.0038 0.0096 173 GLY 25 N -0.0075 0.0032 -0.0070 174 GLY 25 CA -0.0068 0.0058 -0.0084 175 GLY 25 C -0.0093 0.0033 -0.0090 176 GLY 25 O -0.0107 0.0052 -0.0118 177 ALA 26 N -0.0069 0.0022 -0.0061 178 ALA 26 CA -0.0087 -0.0023 -0.0059 179 ALA 26 C -0.0113 -0.0041 -0.0109 180 ALA 26 O -0.0127 -0.0065 -0.0118 181 ALA 26 CB -0.0091 -0.0061 -0.0022 182 PHE 27 N -0.0160 -0.0022 -0.0204 183 PHE 27 CA -0.0221 -0.0010 -0.0214 184 PHE 27 C -0.0190 -0.0010 -0.0349 185 PHE 27 O -0.0255 0.0004 -0.0389 186 PHE 27 CB -0.0177 -0.0023 -0.0096 187 PHE 27 CG -0.0205 -0.0024 0.0038 188 PHE 27 CD1 -0.0109 -0.0044 0.0097 189 PHE 27 CD2 -0.0324 -0.0005 0.0108 190 PHE 27 CE1 -0.0130 -0.0045 0.0222 191 PHE 27 CE2 -0.0347 -0.0006 0.0233 192 PHE 27 CZ -0.0250 -0.0026 0.0290 193 TYR 28 N -0.0044 0.0071 -0.0256 194 TYR 28 CA -0.0041 0.0061 -0.0262 195 TYR 28 C -0.0048 0.0069 -0.0286 196 TYR 28 O -0.0045 0.0058 -0.0297 197 TYR 28 CB -0.0030 0.0036 -0.0264 198 TYR 28 CG -0.0023 0.0028 -0.0240 199 TYR 28 CD1 -0.0020 0.0028 -0.0222 200 TYR 28 CD2 -0.0019 0.0023 -0.0234 201 TYR 28 CE1 -0.0014 0.0023 -0.0199 202 TYR 28 CE2 -0.0014 0.0018 -0.0211 203 TYR 28 CZ -0.0011 0.0018 -0.0193 204 TYR 28 OH -0.0006 0.0014 -0.0170 205 ARG 29 N -0.0073 0.0055 -0.0241 206 ARG 29 CA -0.0031 0.0056 -0.0194 207 ARG 29 C -0.0067 0.0091 -0.0233 208 ARG 29 O -0.0114 0.0048 -0.0287 209 ARG 29 CB 0.0003 -0.0043 -0.0159 210 ARG 29 CG 0.0059 -0.0036 -0.0096 211 ARG 29 CD 0.0092 -0.0133 -0.0063 212 ARG 29 NE 0.0112 -0.0184 -0.0042 213 ARG 29 CZ 0.0166 -0.0164 0.0019 214 ARG 29 NH1 0.0207 -0.0098 0.0068 215 ARG 29 NH2 0.0177 -0.0212 0.0030 216 ASN 30 N 0.0012 0.0150 -0.0250 217 ASN 30 CA 0.0039 0.0107 -0.0212 218 ASN 30 C 0.0134 0.0034 -0.0041 219 ASN 30 O 0.0166 0.0068 0.0047 220 ASN 30 CB -0.0010 0.0266 -0.0238 221 ASN 30 CG -0.0101 0.0287 -0.0426 222 ASN 30 OD1 -0.0161 0.0414 -0.0492 223 ASN 30 ND2 -0.0112 0.0157 -0.0517 224 ARG 31 N 0.0098 -0.0032 -0.0121 225 ARG 31 CA 0.0083 -0.0044 -0.0098 226 ARG 31 C 0.0006 -0.0074 -0.0076 227 ARG 31 O -0.0040 -0.0079 -0.0096 228 ARG 31 CB 0.0092 -0.0020 -0.0159 229 ARG 31 CG 0.0171 0.0009 -0.0181 230 ARG 31 CD 0.0184 0.0031 -0.0231 231 ARG 31 NE 0.0258 0.0061 -0.0257 232 ARG 31 CZ 0.0321 0.0065 -0.0219 233 ARG 31 NH1 0.0323 0.0043 -0.0156 234 ARG 31 NH2 0.0384 0.0092 -0.0246 235 GLU 32 N 0.0113 -0.0084 -0.0038 236 GLU 32 CA 0.0035 -0.0105 -0.0012 237 GLU 32 C -0.0009 -0.0077 -0.0070 238 GLU 32 O 0.0027 -0.0055 -0.0103 239 GLU 32 CB 0.0048 -0.0143 0.0058 240 GLU 32 CG 0.0091 -0.0175 0.0123 241 GLU 32 CD 0.0032 -0.0209 0.0175 242 GLU 32 OE1 0.0034 -0.0214 0.0184 243 GLU 32 OE2 -0.0018 -0.0231 0.0206 244 VAL 33 N -0.0067 -0.0055 -0.0058 245 VAL 33 CA -0.0098 -0.0023 -0.0097 246 VAL 33 C -0.0151 -0.0027 -0.0078 247 VAL 33 O -0.0174 -0.0051 -0.0037 248 VAL 33 CB -0.0116 0.0005 -0.0133 249 VAL 33 CG1 -0.0063 0.0010 -0.0154 250 VAL 33 CG2 -0.0162 -0.0003 -0.0110 251 VAL 34 N -0.0138 -0.0002 -0.0046 252 VAL 34 CA -0.0145 0.0007 -0.0045 253 VAL 34 C -0.0149 0.0012 -0.0046 254 VAL 34 O -0.0148 0.0011 -0.0053 255 VAL 34 CB -0.0148 0.0011 -0.0053 256 VAL 34 CG1 -0.0155 0.0021 -0.0051 257 VAL 34 CG2 -0.0144 0.0006 -0.0052 258 VAL 35 N -0.0164 0.0018 0.0021 259 VAL 35 CA -0.0164 0.0021 0.0023 260 VAL 35 C -0.0163 0.0024 0.0022 261 VAL 35 O -0.0163 0.0024 0.0021 262 VAL 35 CB -0.0165 0.0020 0.0027 263 VAL 35 CG1 -0.0165 0.0024 0.0029 264 VAL 35 CG2 -0.0166 0.0017 0.0028 265 VAL 36 N -0.0155 -0.0003 -0.0015 266 VAL 36 CA -0.0136 0.0012 -0.0024 267 VAL 36 C -0.0146 0.0040 -0.0007 268 VAL 36 O -0.0149 0.0061 0.0004 269 VAL 36 CB -0.0109 0.0024 -0.0042 270 VAL 36 CG1 -0.0090 0.0030 -0.0055 271 VAL 36 CG2 -0.0102 0.0000 -0.0056 272 GLY 37 N -0.0136 0.0073 0.0033 273 GLY 37 CA -0.0136 0.0091 0.0046 274 GLY 37 C -0.0136 0.0094 0.0070 275 GLY 37 O -0.0137 0.0077 0.0080 276 LEU 38 N -0.0092 0.0112 0.0068 277 LEU 38 CA -0.0085 0.0113 0.0061 278 LEU 38 C -0.0069 0.0115 0.0088 279 LEU 38 O -0.0044 0.0118 0.0093 280 LEU 38 CB -0.0066 0.0116 0.0034 281 LEU 38 CG -0.0056 0.0117 0.0025 282 LEU 38 CD1 -0.0081 0.0114 0.0020 283 LEU 38 CD2 -0.0038 0.0120 -0.0003 284 ASN 39 N -0.0147 0.0130 0.0088 285 ASN 39 CA -0.0135 0.0112 0.0085 286 ASN 39 C -0.0106 0.0095 0.0092 287 ASN 39 O -0.0100 0.0097 0.0096 288 ASN 39 CB -0.0156 0.0091 0.0066 289 ASN 39 CG -0.0167 0.0075 0.0054 290 ASN 39 OD1 -0.0150 0.0058 0.0054 291 ASN 39 ND2 -0.0196 0.0081 0.0043 292 PRO 40 N -0.0080 0.0117 0.0058 293 PRO 40 CA -0.0029 0.0109 0.0052 294 PRO 40 C -0.0067 0.0087 0.0057 295 PRO 40 O -0.0047 0.0118 0.0054 296 PRO 40 CB 0.0029 0.0052 0.0047 297 PRO 40 CG 0.0032 0.0064 0.0046 298 PRO 40 CD -0.0050 0.0080 0.0056 299 GLU 41 N -0.0104 0.0078 0.0054 300 GLU 41 CA -0.0111 0.0060 0.0048 301 GLU 41 C -0.0121 0.0080 0.0052 302 GLU 41 O -0.0109 0.0077 0.0053 303 GLU 41 CB -0.0139 0.0039 0.0036 304 GLU 41 CG -0.0146 0.0013 0.0027 305 GLU 41 CD -0.0175 -0.0005 0.0016 306 GLU 41 OE1 -0.0192 0.0005 0.0015 307 GLU 41 OE2 -0.0180 -0.0028 0.0008 308 ALA 42 N -0.0135 0.0074 0.0060 309 ALA 42 CA -0.0131 0.0080 0.0072 310 ALA 42 C -0.0118 0.0086 0.0082 311 ALA 42 O -0.0107 0.0088 0.0086 312 ALA 42 CB -0.0147 0.0086 0.0080 313 VAL 43 N -0.0044 0.0051 0.0079 314 VAL 43 CA 0.0002 0.0092 0.0068 315 VAL 43 C 0.0037 0.0087 0.0050 316 VAL 43 O 0.0051 0.0128 0.0055 317 VAL 43 CB 0.0036 0.0085 0.0050 318 VAL 43 CG1 0.0091 0.0121 0.0034 319 VAL 43 CG2 0.0006 0.0102 0.0069 320 GLU 44 N 0.0042 0.0164 0.0052 321 GLU 44 CA 0.0078 0.0155 0.0031 322 GLU 44 C 0.0084 0.0157 0.0031 323 GLU 44 O 0.0117 0.0169 0.0033 324 GLU 44 CB 0.0078 0.0125 -0.0001 325 GLU 44 CG 0.0083 0.0126 -0.0001 326 GLU 44 CD 0.0076 0.0097 -0.0030 327 GLU 44 OE1 0.0095 0.0079 -0.0056 328 GLU 44 OE2 0.0052 0.0093 -0.0027 329 GLU 45 N 0.0004 0.0100 0.0036 330 GLU 45 CA -0.0011 0.0098 0.0036 331 GLU 45 C -0.0013 0.0127 0.0047 332 GLU 45 O -0.0007 0.0129 0.0048 333 GLU 45 CB -0.0044 0.0084 0.0031 334 GLU 45 CG -0.0043 0.0050 0.0018 335 GLU 45 CD -0.0032 0.0030 0.0010 336 GLU 45 OE1 -0.0053 0.0017 0.0006 337 GLU 45 OE2 -0.0002 0.0029 0.0009 338 ALA 46 N -0.0032 0.0089 0.0041 339 ALA 46 CA -0.0012 0.0095 0.0083 340 ALA 46 C 0.0012 0.0113 0.0069 341 ALA 46 O 0.0047 0.0132 0.0089 342 ALA 46 CB -0.0044 0.0068 0.0119 343 GLN 47 N 0.0147 0.0204 0.0115 344 GLN 47 CA 0.0157 0.0217 0.0100 345 GLN 47 C 0.0159 0.0226 0.0098 346 GLN 47 O 0.0167 0.0240 0.0089 347 GLN 47 CB 0.0165 0.0205 0.0082 348 GLN 47 CG 0.0164 0.0196 0.0080 349 GLN 47 CD 0.0174 0.0192 0.0060 350 GLN 47 OE1 0.0181 0.0207 0.0052 351 GLN 47 NE2 0.0175 0.0174 0.0052 352 VAL 48 N 0.0114 0.0188 0.0029 353 VAL 48 CA 0.0116 0.0164 0.0020 354 VAL 48 C 0.0099 0.0182 0.0025 355 VAL 48 O 0.0116 0.0181 0.0026 356 VAL 48 CB 0.0098 0.0129 0.0006 357 VAL 48 CG1 0.0097 0.0104 -0.0003 358 VAL 48 CG2 0.0121 0.0109 0.0002 359 LEU 49 N -0.0002 0.0099 -0.0028 360 LEU 49 CA -0.0025 0.0109 -0.0036 361 LEU 49 C -0.0006 0.0137 -0.0018 362 LEU 49 O -0.0013 0.0135 -0.0022 363 LEU 49 CB -0.0068 0.0130 -0.0051 364 LEU 49 CG -0.0093 0.0099 -0.0072 365 LEU 49 CD1 -0.0132 0.0124 -0.0084 366 LEU 49 CD2 -0.0104 0.0062 -0.0089 367 THR 50 N 0.0072 0.0085 0.0067 368 THR 50 CA 0.0083 0.0087 0.0086 369 THR 50 C 0.0105 0.0088 0.0082 370 THR 50 O 0.0117 0.0089 0.0097 371 THR 50 CB 0.0070 0.0087 0.0097 372 THR 50 OG1 0.0066 0.0086 0.0082 373 THR 50 CG2 0.0049 0.0087 0.0106 374 LYS 51 N 0.0179 0.0247 0.0044 375 LYS 51 CA 0.0228 0.0201 0.0050 376 LYS 51 C 0.0184 0.0173 0.0028 377 LYS 51 O 0.0216 0.0138 0.0030 378 LYS 51 CB 0.0263 0.0129 0.0044 379 LYS 51 CG 0.0311 0.0151 0.0066 380 LYS 51 CD 0.0331 0.0082 0.0056 381 LYS 51 CE 0.0383 0.0102 0.0079 382 LYS 51 NZ 0.0344 0.0104 0.0066 383 PHE 52 N 0.0072 0.0148 -0.0026 384 PHE 52 CA 0.0049 0.0106 -0.0073 385 PHE 52 C 0.0038 0.0123 -0.0127 386 PHE 52 O 0.0024 0.0085 -0.0149 387 PHE 52 CB 0.0043 0.0104 -0.0093 388 PHE 52 CG 0.0054 0.0090 -0.0043 389 PHE 52 CD1 0.0049 0.0032 -0.0014 390 PHE 52 CD2 0.0068 0.0133 -0.0025 391 PHE 52 CE1 0.0058 0.0019 0.0033 392 PHE 52 CE2 0.0078 0.0119 0.0021 393 PHE 52 CZ 0.0073 0.0062 0.0050 394 ALA 53 N 0.0022 0.0047 -0.0163 395 ALA 53 CA 0.0027 0.0041 -0.0152 396 ALA 53 C 0.0033 0.0022 -0.0114 397 ALA 53 O 0.0020 0.0019 -0.0090 398 ALA 53 CB -0.0004 0.0058 -0.0158 399 SER 54 N 0.0002 -0.0065 -0.0072 400 SER 54 CA 0.0010 -0.0109 -0.0015 401 SER 54 C -0.0045 -0.0083 0.0024 402 SER 54 O -0.0067 -0.0105 0.0089 403 SER 54 CB 0.0065 -0.0142 -0.0043 404 SER 54 OG 0.0122 -0.0179 -0.0067 405 THR 55 N -0.0042 -0.0099 0.0095 406 THR 55 CA -0.0110 -0.0109 0.0120 407 THR 55 C -0.0150 -0.0079 0.0064 408 THR 55 O -0.0120 -0.0061 0.0022 409 THR 55 CB -0.0105 -0.0132 0.0169 410 THR 55 OG1 -0.0068 -0.0161 0.0225 411 THR 55 CG2 -0.0178 -0.0140 0.0193 412 VAL 56 N -0.0113 -0.0023 0.0104 413 VAL 56 CA -0.0144 -0.0011 0.0077 414 VAL 56 C -0.0174 -0.0015 0.0101 415 VAL 56 O -0.0199 -0.0021 0.0126 416 VAL 56 CB -0.0167 -0.0002 0.0059 417 VAL 56 CG1 -0.0200 0.0011 0.0032 418 VAL 56 CG2 -0.0137 0.0003 0.0034 419 HIS 57 N -0.0250 -0.0078 0.0064 420 HIS 57 CA -0.0266 -0.0084 0.0075 421 HIS 57 C -0.0291 -0.0073 0.0060 422 HIS 57 O -0.0287 -0.0060 0.0039 423 HIS 57 CB -0.0247 -0.0087 0.0078 424 HIS 57 CG -0.0221 -0.0099 0.0093 425 HIS 57 ND1 -0.0225 -0.0114 0.0118 426 HIS 57 CD2 -0.0193 -0.0097 0.0086 427 HIS 57 CE1 -0.0199 -0.0121 0.0126 428 HIS 57 NE2 -0.0179 -0.0112 0.0107 429 TRP 58 N -0.0253 -0.0025 0.0056 430 TRP 58 CA -0.0220 -0.0039 0.0073 431 TRP 58 C -0.0197 -0.0040 0.0064 432 TRP 58 O -0.0186 -0.0030 0.0034 433 TRP 58 CB -0.0198 -0.0041 0.0065 434 TRP 58 CG -0.0167 -0.0057 0.0088 435 TRP 58 CD1 -0.0162 -0.0071 0.0119 436 TRP 58 CD2 -0.0137 -0.0060 0.0079 437 TRP 58 NE1 -0.0131 -0.0083 0.0130 438 TRP 58 CE2 -0.0114 -0.0076 0.0107 439 TRP 58 CE3 -0.0127 -0.0050 0.0051 440 TRP 58 CZ2 -0.0083 -0.0083 0.0106 441 TRP 58 CZ3 -0.0095 -0.0056 0.0051 442 TRP 58 CH2 -0.0073 -0.0073 0.0078 443 ILE 59 N -0.0180 -0.0040 0.0001 444 ILE 59 CA -0.0135 -0.0032 -0.0019 445 ILE 59 C -0.0114 -0.0005 0.0004 446 ILE 59 O -0.0112 0.0021 0.0037 447 ILE 59 CB -0.0112 -0.0025 -0.0026 448 ILE 59 CG1 -0.0132 -0.0055 -0.0052 449 ILE 59 CG2 -0.0064 -0.0014 -0.0044 450 ILE 59 CD1 -0.0116 -0.0049 -0.0055 451 THR 60 N -0.0058 0.0005 -0.0049 452 THR 60 CA -0.0025 0.0036 -0.0022 453 THR 60 C 0.0025 0.0052 -0.0057 454 THR 60 O 0.0029 0.0036 -0.0105 455 THR 60 CB -0.0044 0.0031 -0.0004 456 THR 60 OG1 -0.0048 0.0012 -0.0048 457 THR 60 CG2 -0.0095 0.0013 0.0030 458 PRO 61 N 0.0035 0.0087 -0.0110 459 PRO 61 CA 0.0065 0.0119 -0.0145 460 PRO 61 C 0.0038 0.0123 -0.0109 461 PRO 61 O 0.0059 0.0145 -0.0134 462 PRO 61 CB 0.0082 0.0203 -0.0156 463 PRO 61 CG 0.0041 0.0225 -0.0099 464 PRO 61 CD 0.0024 0.0147 -0.0088 465 LYS 62 N 0.0089 0.0099 -0.0173 466 LYS 62 CA 0.0049 0.0085 -0.0141 467 LYS 62 C 0.0026 0.0053 -0.0114 468 LYS 62 O 0.0040 0.0049 -0.0122 469 LYS 62 CB 0.0013 0.0136 -0.0137 470 LYS 62 CG -0.0014 0.0171 -0.0132 471 LYS 62 CD -0.0047 0.0223 -0.0130 472 LYS 62 CE -0.0021 0.0270 -0.0165 473 LYS 62 NZ -0.0056 0.0319 -0.0160 474 ASP 63 N 0.0065 0.0056 -0.0112 475 ASP 63 CA 0.0066 0.0054 -0.0110 476 ASP 63 C 0.0068 0.0049 -0.0102 477 ASP 63 O 0.0073 0.0049 -0.0098 478 ASP 63 CB 0.0071 0.0060 -0.0112 479 ASP 63 CG 0.0074 0.0060 -0.0109 480 ASP 63 OD1 0.0078 0.0057 -0.0103 481 ASP 63 OD2 0.0072 0.0061 -0.0113 482 PRO 64 N 0.0080 -0.0004 -0.0075 483 PRO 64 CA 0.0090 -0.0022 -0.0074 484 PRO 64 C 0.0108 -0.0019 -0.0065 485 PRO 64 O 0.0117 -0.0033 -0.0065 486 PRO 64 CB 0.0092 -0.0032 -0.0076 487 PRO 64 CG 0.0080 -0.0021 -0.0079 488 PRO 64 CD 0.0078 -0.0001 -0.0075 489 HIS 65 N 0.0148 -0.0045 -0.0090 490 HIS 65 CA 0.0075 -0.0025 -0.0020 491 HIS 65 C 0.0002 0.0065 -0.0049 492 HIS 65 O -0.0061 0.0099 -0.0013 493 HIS 65 CB 0.0053 -0.0075 0.0080 494 HIS 65 CG 0.0120 -0.0164 0.0115 495 HIS 65 ND1 0.0171 -0.0215 0.0117 496 HIS 65 CD2 0.0141 -0.0208 0.0149 497 HIS 65 CE1 0.0222 -0.0288 0.0153 498 HIS 65 NE2 0.0207 -0.0288 0.0173 499 THR 66 N 0.0046 0.0109 -0.0100 500 THR 66 CA 0.0023 0.0137 -0.0123 501 THR 66 C 0.0026 0.0140 -0.0141 502 THR 66 O 0.0003 0.0162 -0.0148 503 THR 66 CB 0.0022 0.0148 -0.0156 504 THR 66 OG1 0.0050 0.0129 -0.0182 505 THR 66 CG2 0.0012 0.0153 -0.0142 506 LEU 67 N 0.0084 0.0103 -0.0164 507 LEU 67 CA 0.0079 0.0105 -0.0154 508 LEU 67 C 0.0077 0.0110 -0.0176 509 LEU 67 O 0.0068 0.0116 -0.0171 510 LEU 67 CB 0.0059 0.0119 -0.0135 511 LEU 67 CG 0.0060 0.0114 -0.0107 512 LEU 67 CD1 0.0040 0.0127 -0.0090 513 LEU 67 CD2 0.0079 0.0097 -0.0093 514 ASP 68 N 0.0077 0.0083 -0.0094 515 ASP 68 CA -0.0049 0.0047 -0.0192 516 ASP 68 C -0.0332 0.0120 -0.0174 517 ASP 68 O -0.0424 0.0209 -0.0067 518 ASP 68 CB 0.0102 0.0059 -0.0123 519 ASP 68 CG 0.0041 -0.0034 -0.0286 520 ASP 68 OD1 -0.0085 0.0027 -0.0234 521 ASP 68 OD2 0.0123 -0.0169 -0.0466 522 GLY 69 N -0.0016 0.0020 -0.0096 523 GLY 69 CA -0.0030 -0.0049 -0.0054 524 GLY 69 C 0.0043 -0.0018 -0.0122 525 GLY 69 O 0.0060 -0.0091 -0.0100 526 HIS 70 N 0.0078 0.0042 -0.0127 527 HIS 70 CA 0.0091 0.0065 -0.0130 528 HIS 70 C 0.0114 0.0045 -0.0135 529 HIS 70 O 0.0115 0.0051 -0.0135 530 HIS 70 CB 0.0110 0.0096 -0.0134 531 HIS 70 CG 0.0111 0.0129 -0.0135 532 HIS 70 ND1 0.0137 0.0134 -0.0140 533 HIS 70 CD2 0.0090 0.0157 -0.0131 534 HIS 70 CE1 0.0131 0.0165 -0.0140 535 HIS 70 NE2 0.0103 0.0180 -0.0134 536 ALA 71 N 0.0152 -0.0074 -0.0073 537 ALA 71 CA 0.0224 -0.0120 -0.0074 538 ALA 71 C 0.0239 -0.0183 -0.0011 539 ALA 71 O 0.0299 -0.0225 -0.0008 540 ALA 71 CB 0.0233 -0.0115 -0.0088 541 ASP 72 N 0.0272 -0.0268 -0.0057 542 ASP 72 CA 0.0239 -0.0373 -0.0022 543 ASP 72 C 0.0248 -0.0426 -0.0018 544 ASP 72 O 0.0280 -0.0518 -0.0020 545 ASP 72 CB 0.0135 -0.0372 0.0034 546 ASP 72 CG 0.0124 -0.0350 0.0037 547 ASP 72 OD1 0.0193 -0.0324 -0.0005 548 ASP 72 OD2 0.0043 -0.0358 0.0083 549 GLU 73 N 0.0218 -0.0433 -0.0124 550 GLU 73 CA 0.0131 -0.0298 -0.0114 551 GLU 73 C 0.0262 -0.0260 -0.0018 552 GLU 73 O 0.0228 -0.0264 -0.0041 553 GLU 73 CB 0.0038 -0.0109 -0.0084 554 GLU 73 CG -0.0083 0.0037 -0.0089 555 GLU 73 CD -0.0171 0.0223 -0.0056 556 GLU 73 OE1 -0.0144 0.0241 -0.0032 557 GLU 73 OE2 -0.0270 0.0349 -0.0058 558 LEU 74 N 0.0165 -0.0156 0.0092 559 LEU 74 CA 0.0162 -0.0150 0.0109 560 LEU 74 C 0.0160 -0.0141 0.0130 561 LEU 74 O 0.0167 -0.0127 0.0141 562 LEU 74 CB 0.0148 -0.0166 0.0110 563 LEU 74 CG 0.0142 -0.0162 0.0128 564 LEU 74 CD1 0.0155 -0.0149 0.0125 565 LEU 74 CD2 0.0127 -0.0179 0.0128 566 LEU 75 N 0.0278 -0.0405 0.0083 567 LEU 75 CA 0.0256 -0.0345 0.0086 568 LEU 75 C 0.0296 -0.0321 0.0110 569 LEU 75 O 0.0277 -0.0281 0.0110 570 LEU 75 CB 0.0245 -0.0295 0.0092 571 LEU 75 CG 0.0192 -0.0305 0.0066 572 LEU 75 CD1 0.0193 -0.0263 0.0076 573 LEU 75 CD2 0.0134 -0.0291 0.0043 574 ALA 76 N 0.0249 -0.0477 -0.0018 575 ALA 76 CA 0.0190 -0.0410 -0.0111 576 ALA 76 C 0.0402 -0.0041 -0.0027 577 ALA 76 O 0.0406 0.0025 -0.0050 578 ALA 76 CB -0.0120 -0.0363 -0.0468 579 HIS 77 N 0.0237 -0.0149 0.0037 580 HIS 77 CA 0.0193 -0.0066 0.0080 581 HIS 77 C 0.0160 -0.0014 0.0126 582 HIS 77 O 0.0162 -0.0059 0.0185 583 HIS 77 CB 0.0182 -0.0091 0.0156 584 HIS 77 CG 0.0144 -0.0007 0.0177 585 HIS 77 ND1 0.0104 0.0057 0.0233 586 HIS 77 CD2 0.0141 0.0022 0.0143 587 HIS 77 CE1 0.0077 0.0125 0.0233 588 HIS 77 NE2 0.0098 0.0108 0.0180 589 PRO 78 N 0.0377 0.0010 0.0190 590 PRO 78 CA 0.0188 0.0115 -0.0031 591 PRO 78 C 0.0135 0.0177 0.0625 592 PRO 78 O 0.0107 0.0189 0.0505 593 PRO 78 CB -0.0470 0.0501 -0.0433 594 PRO 78 CG -0.0488 0.0502 -0.0678 595 PRO 78 CD -0.0105 0.0295 -0.0054 596 SER 79 N -0.0052 0.0034 0.0283 597 SER 79 CA -0.0075 0.0025 0.0286 598 SER 79 C -0.0153 -0.0005 0.0299 599 SER 79 O -0.0182 -0.0012 0.0313 600 SER 79 CB -0.0048 0.0007 0.0219 601 SER 79 OG 0.0025 0.0034 0.0204 602 VAL 80 N -0.0101 -0.0081 0.0259 603 VAL 80 CA -0.0129 -0.0116 0.0270 604 VAL 80 C -0.0151 -0.0097 0.0298 605 VAL 80 O -0.0138 -0.0070 0.0296 606 VAL 80 CB -0.0113 -0.0154 0.0242 607 VAL 80 CG1 -0.0142 -0.0189 0.0254 608 VAL 80 CG2 -0.0098 -0.0179 0.0218 609 LYS 81 N -0.0310 -0.0123 0.0194 610 LYS 81 CA -0.0324 -0.0145 0.0230 611 LYS 81 C -0.0373 -0.0119 0.0204 612 LYS 81 O -0.0361 -0.0089 0.0157 613 LYS 81 CB -0.0260 -0.0164 0.0239 614 LYS 81 CG -0.0215 -0.0197 0.0277 615 LYS 81 CD -0.0160 -0.0221 0.0296 616 LYS 81 CE -0.0119 -0.0257 0.0339 617 LYS 81 NZ -0.0068 -0.0247 0.0310 618 LEU 82 N -0.0236 -0.0100 0.0030 619 LEU 82 CA -0.0200 -0.0098 0.0042 620 LEU 82 C -0.0178 -0.0102 0.0025 621 LEU 82 O -0.0175 -0.0108 -0.0006 622 LEU 82 CB -0.0184 -0.0101 0.0033 623 LEU 82 CG -0.0145 -0.0100 0.0042 624 LEU 82 CD1 -0.0139 -0.0093 0.0082 625 LEU 82 CD2 -0.0131 -0.0103 0.0028 626 TRP 83 N -0.0152 -0.0076 -0.0024 627 TRP 83 CA -0.0117 -0.0079 -0.0040 628 TRP 83 C -0.0063 -0.0077 -0.0023 629 TRP 83 O -0.0041 -0.0071 0.0014 630 TRP 83 CB -0.0132 -0.0076 -0.0018 631 TRP 83 CG -0.0186 -0.0077 -0.0033 632 TRP 83 CD1 -0.0231 -0.0073 -0.0006 633 TRP 83 CD2 -0.0200 -0.0085 -0.0080 634 TRP 83 NE1 -0.0272 -0.0077 -0.0034 635 TRP 83 CE2 -0.0255 -0.0085 -0.0080 636 TRP 83 CE3 -0.0171 -0.0093 -0.0122 637 TRP 83 CZ2 -0.0280 -0.0091 -0.0121 638 TRP 83 CZ3 -0.0197 -0.0099 -0.0164 639 TRP 83 CH2 -0.0251 -0.0099 -0.0164 640 GLU 84 N 0.0047 -0.0025 -0.0070 641 GLU 84 CA 0.0071 0.0005 -0.0059 642 GLU 84 C 0.0088 0.0025 -0.0089 643 GLU 84 O 0.0084 0.0021 -0.0122 644 GLU 84 CB 0.0079 0.0015 -0.0044 645 GLU 84 CG 0.0080 0.0016 -0.0074 646 GLU 84 CD 0.0095 0.0035 -0.0063 647 GLU 84 OE1 0.0100 0.0042 -0.0029 648 GLU 84 OE2 0.0103 0.0045 -0.0088 649 LYS 85 N 0.0169 -0.0003 -0.0102 650 LYS 85 CA 0.0116 0.0046 -0.0144 651 LYS 85 C 0.0212 0.0016 -0.0220 652 LYS 85 O 0.0201 0.0017 -0.0206 653 LYS 85 CB 0.0034 0.0052 -0.0025 654 LYS 85 CG -0.0068 0.0083 0.0063 655 LYS 85 CD -0.0170 0.0116 0.0145 656 LYS 85 CE -0.0217 0.0089 0.0291 657 LYS 85 NZ -0.0142 0.0005 0.0386 658 THR 86 N 0.0154 -0.0017 -0.0119 659 THR 86 CA 0.0166 -0.0024 -0.0136 660 THR 86 C 0.0170 -0.0011 -0.0146 661 THR 86 O 0.0163 -0.0003 -0.0139 662 THR 86 CB 0.0172 -0.0046 -0.0137 663 THR 86 OG1 0.0170 -0.0052 -0.0132 664 THR 86 CG2 0.0167 -0.0059 -0.0126 665 ARG 87 N 0.0199 -0.0030 -0.0033 666 ARG 87 CA 0.0148 -0.0097 -0.0227 667 ARG 87 C 0.0199 -0.0284 -0.0365 668 ARG 87 O 0.0183 -0.0289 -0.0405 669 ARG 87 CB -0.0021 0.0069 -0.0356 670 ARG 87 CG -0.0075 0.0054 -0.0487 671 ARG 87 CD -0.0216 0.0107 -0.0707 672 ARG 87 NE -0.0340 0.0331 -0.0668 673 ARG 87 CZ -0.0438 0.0465 -0.0694 674 ARG 87 NH1 -0.0426 0.0412 -0.0741 675 ARG 87 NH2 -0.0550 0.0658 -0.0673 676 LEU 88 N 0.0121 -0.0126 -0.0337 677 LEU 88 CA 0.0097 -0.0084 -0.0294 678 LEU 88 C 0.0121 -0.0100 -0.0233 679 LEU 88 O 0.0145 -0.0124 -0.0205 680 LEU 88 CB 0.0072 -0.0050 -0.0290 681 LEU 88 CG 0.0046 -0.0005 -0.0242 682 LEU 88 CD1 0.0021 0.0026 -0.0247 683 LEU 88 CD2 0.0020 0.0028 -0.0249 684 ILE 89 N 0.0103 -0.0101 -0.0193 685 ILE 89 CA 0.0096 -0.0143 -0.0075 686 ILE 89 C 0.0097 -0.0069 -0.0019 687 ILE 89 O 0.0093 -0.0112 0.0049 688 ILE 89 CB 0.0094 -0.0132 0.0004 689 ILE 89 CG1 0.0093 -0.0199 -0.0047 690 ILE 89 CG2 0.0087 -0.0172 0.0132 691 ILE 89 CD1 0.0088 -0.0331 -0.0069 692 ARG 90 N 0.0048 -0.0055 0.0027 693 ARG 90 CA 0.0080 0.0084 0.0113 694 ARG 90 C 0.0098 0.0261 0.0014 695 ARG 90 O 0.0097 0.0304 -0.0065 696 ARG 90 CB 0.0103 0.0103 0.0308 697 ARG 90 CG 0.0136 0.0220 0.0439 698 ARG 90 CD 0.0150 0.0178 0.0636 699 ARG 90 NE 0.0123 -0.0011 0.0679 700 ARG 90 CZ 0.0104 -0.0150 0.0715 701 ARG 90 NH1 0.0108 -0.0134 0.0729 702 ARG 90 NH2 0.0080 -0.0312 0.0737 703 ILE 91 N 0.0021 0.0172 0.0025 704 ILE 91 CA 0.0049 0.0177 0.0018 705 ILE 91 C 0.0025 0.0185 0.0030 706 ILE 91 O -0.0008 0.0166 0.0032 707 ILE 91 CB 0.0072 0.0142 -0.0004 708 ILE 91 CG1 0.0096 0.0136 -0.0015 709 ILE 91 CG2 0.0099 0.0147 -0.0012 710 ILE 91 CD1 0.0111 0.0096 -0.0037 711 LYS 92 N -0.0033 0.0082 0.0037 712 LYS 92 CA -0.0048 0.0096 0.0052 713 LYS 92 C 0.0047 0.0072 0.0027 714 LYS 92 O 0.0133 0.0070 0.0026 715 LYS 92 CB -0.0062 0.0175 0.0138 716 LYS 92 CG -0.0159 0.0210 0.0176 717 LYS 92 CD -0.0154 0.0289 0.0262 718 LYS 92 CE -0.0252 0.0323 0.0298 719 LYS 92 NZ -0.0335 0.0326 0.0300 720 GLY 93 N -0.0085 -0.0167 0.0047 721 GLY 93 CA -0.0037 -0.0169 0.0032 722 GLY 93 C -0.0015 -0.0170 0.0025 723 GLY 93 O -0.0032 -0.0168 0.0041 724 GLU 94 N -0.0068 -0.0284 0.0068 725 GLU 94 CA -0.0035 -0.0239 0.0108 726 GLU 94 C -0.0031 -0.0209 0.0069 727 GLU 94 O -0.0054 -0.0228 0.0016 728 GLU 94 CB -0.0007 -0.0186 0.0119 729 GLU 94 CG -0.0009 -0.0210 0.0155 730 GLU 94 CD 0.0019 -0.0157 0.0161 731 GLU 94 OE1 0.0034 -0.0155 0.0216 732 GLU 94 OE2 0.0025 -0.0117 0.0110 733 GLU 95 N -0.0169 0.0359 0.1209 734 GLU 95 CA -0.0031 0.0339 0.0634 735 GLU 95 C 0.0187 0.0331 0.0476 736 GLU 95 O 0.0022 0.0320 0.0072 737 GLU 95 CB 0.0401 0.0328 0.0486 738 GLU 95 CG 0.0535 0.0307 -0.0127 739 GLU 95 CD 0.0126 0.0303 -0.0433 740 GLU 95 OE1 0.0095 0.0307 -0.0303 741 GLU 95 OE2 -0.0163 0.0296 -0.0789 742 ALA 96 N -0.0160 0.0205 0.0296 743 ALA 96 CA -0.0200 0.0269 0.0141 744 ALA 96 C -0.0149 0.0138 0.0011 745 ALA 96 O -0.0161 0.0154 -0.0058 746 ALA 96 CB -0.0258 0.0379 0.0039 747 GLY 97 N -0.0087 -0.0097 -0.0011 748 GLY 97 CA -0.0045 -0.0198 -0.0089 749 GLY 97 C -0.0030 -0.0237 -0.0116 750 GLY 97 O -0.0053 -0.0210 -0.0052 751 VAL 98 N 0.0041 -0.0159 -0.0093 752 VAL 98 CA 0.0041 -0.0110 -0.0077 753 VAL 98 C 0.0054 -0.0085 -0.0062 754 VAL 98 O 0.0085 -0.0102 -0.0051 755 VAL 98 CB 0.0070 -0.0102 -0.0059 756 VAL 98 CG1 0.0070 -0.0051 -0.0042 757 VAL 98 CG2 0.0055 -0.0124 -0.0074 758 THR 99 N 0.0159 -0.0120 0.0013 759 THR 99 CA 0.0174 -0.0080 0.0034 760 THR 99 C 0.0172 -0.0054 0.0050 761 THR 99 O 0.0197 -0.0023 0.0064 762 THR 99 CB 0.0147 -0.0061 0.0049 763 THR 99 OG1 0.0100 -0.0063 0.0055 764 THR 99 CG2 0.0151 -0.0083 0.0036 765 ALA 100 N 0.0108 0.0043 -0.0010 766 ALA 100 CA 0.0091 0.0099 0.0033 767 ALA 100 C 0.0053 0.0133 0.0021 768 ALA 100 O 0.0032 0.0117 -0.0027 769 ALA 100 CB 0.0067 0.0129 0.0036 770 VAL 101 N -0.0008 0.0177 0.0002 771 VAL 101 CA -0.0024 0.0146 -0.0000 772 VAL 101 C -0.0033 0.0133 0.0025 773 VAL 101 O -0.0027 0.0145 0.0034 774 VAL 101 CB -0.0029 0.0132 -0.0034 775 VAL 101 CG1 -0.0022 0.0142 -0.0059 776 VAL 101 CG2 -0.0024 0.0140 -0.0045 777 GLU 102 N 0.0037 0.0244 0.0002 778 GLU 102 CA 0.0039 0.0190 0.0029 779 GLU 102 C 0.0050 0.0107 -0.0033 780 GLU 102 O 0.0054 0.0051 -0.0034 781 GLU 102 CB 0.0034 0.0161 0.0129 782 GLU 102 CG 0.0035 0.0110 0.0173 783 GLU 102 CD 0.0031 0.0075 0.0268 784 GLU 102 OE1 0.0025 0.0114 0.0312 785 GLU 102 OE2 0.0034 0.0010 0.0300 786 VAL 103 N 0.0056 -0.0016 -0.0034 787 VAL 103 CA 0.0056 -0.0048 -0.0062 788 VAL 103 C 0.0070 -0.0087 -0.0063 789 VAL 103 O 0.0074 -0.0086 -0.0054 790 VAL 103 CB 0.0034 -0.0038 -0.0104 791 VAL 103 CG1 0.0020 0.0000 -0.0103 792 VAL 103 CG2 0.0023 -0.0033 -0.0124 793 ARG 104 N 0.0130 -0.0069 -0.0057 794 ARG 104 CA 0.0113 -0.0069 -0.0038 795 ARG 104 C 0.0191 -0.0141 -0.0121 796 ARG 104 O 0.0227 -0.0248 -0.0153 797 ARG 104 CB 0.0026 -0.0141 0.0067 798 ARG 104 CG 0.0002 -0.0153 0.0096 799 ARG 104 CD -0.0069 -0.0254 0.0185 800 ARG 104 NE -0.0155 -0.0193 0.0280 801 ARG 104 CZ -0.0231 -0.0257 0.0372 802 ARG 104 NH1 -0.0233 -0.0388 0.0384 803 ARG 104 NH2 -0.0307 -0.0189 0.0453 804 HIS 105 N 0.0176 -0.0040 0.0051 805 HIS 105 CA 0.0151 -0.0040 0.0057 806 HIS 105 C 0.0086 -0.0052 0.0050 807 HIS 105 O 0.0056 -0.0043 0.0073 808 HIS 105 CB 0.0162 -0.0008 0.0111 809 HIS 105 CG 0.0175 -0.0005 0.0113 810 HIS 105 ND1 0.0232 -0.0003 0.0104 811 HIS 105 CD2 0.0140 -0.0004 0.0123 812 HIS 105 CE1 0.0230 -0.0001 0.0108 813 HIS 105 NE2 0.0176 -0.0002 0.0120 814 PRO 106 N -0.0007 0.0021 -0.0029 815 PRO 106 CA -0.0115 0.0115 -0.0102 816 PRO 106 C -0.0168 0.0078 0.0020 817 PRO 106 O -0.0255 0.0039 0.0176 818 PRO 106 CB -0.0282 0.0219 -0.0134 819 PRO 106 CG -0.0213 0.0199 -0.0164 820 PRO 106 CD -0.0082 0.0063 -0.0035 821 GLY 107 N 0.0589 -0.0169 0.0308 822 GLY 107 CA 0.0976 -0.0598 0.0067 823 GLY 107 C 0.0487 -0.0059 -0.0145 824 GLY 107 O 0.0750 -0.0349 -0.0026 825 GLU 108 N 0.0063 0.0100 0.0184 826 GLU 108 CA -0.0038 0.0211 0.0122 827 GLU 108 C -0.0217 0.0204 0.0119 828 GLU 108 O -0.0292 0.0314 0.0058 829 GLU 108 CB -0.0026 0.0204 0.0125 830 GLU 108 CG 0.0131 0.0278 0.0092 831 GLU 108 CD 0.0134 0.0442 0.0004 832 GLU 108 OE1 0.0005 0.0505 -0.0034 833 GLU 108 OE2 0.0268 0.0505 -0.0025 834 SER 109 N -0.0405 0.0263 0.0309 835 SER 109 CA -0.0286 0.0250 0.0093 836 SER 109 C -0.0426 -0.0008 0.0021 837 SER 109 O -0.0388 -0.0007 -0.0043 838 SER 109 CB -0.0080 0.0314 -0.0181 839 SER 109 OG 0.0051 0.0371 -0.0335 840 ASP 110 N -0.0104 0.0119 -0.0067 841 ASP 110 CA -0.0178 -0.0102 -0.0100 842 ASP 110 C -0.0389 -0.0078 0.0117 843 ASP 110 O -0.0548 -0.0005 0.0305 844 ASP 110 CB -0.0228 -0.0407 -0.0195 845 ASP 110 CG -0.0001 -0.0460 -0.0441 846 ASP 110 OD1 0.0133 -0.0471 -0.0576 847 ASP 110 OD2 0.0042 -0.0492 -0.0497 848 SER 111 N -0.0059 -0.0124 0.0111 849 SER 111 CA -0.0072 -0.0100 0.0103 850 SER 111 C -0.0091 -0.0066 0.0080 851 SER 111 O -0.0097 -0.0054 0.0083 852 SER 111 CB -0.0074 -0.0083 0.0141 853 SER 111 OG -0.0057 -0.0111 0.0166 854 GLN 112 N 0.0072 -0.0144 0.0044 855 GLN 112 CA 0.0031 -0.0052 -0.0016 856 GLN 112 C 0.0017 0.0070 -0.0000 857 GLN 112 O 0.0012 0.0074 -0.0012 858 GLN 112 CB -0.0019 -0.0090 -0.0146 859 GLN 112 CG -0.0053 -0.0037 -0.0203 860 GLN 112 CD -0.0111 -0.0026 -0.0332 861 GLN 112 OE1 -0.0140 0.0056 -0.0369 862 GLN 112 NE2 -0.0127 -0.0112 -0.0403 863 GLU 113 N -0.0035 0.0254 0.0096 864 GLU 113 CA -0.0054 0.0255 0.0118 865 GLU 113 C -0.0061 0.0266 0.0104 866 GLU 113 O -0.0071 0.0282 0.0080 867 GLU 113 CB -0.0082 0.0263 0.0135 868 GLU 113 CG -0.0100 0.0261 0.0163 869 GLU 113 CD -0.0121 0.0263 0.0185 870 GLU 113 OE1 -0.0110 0.0249 0.0200 871 GLU 113 OE2 -0.0148 0.0277 0.0188 872 LEU 114 N -0.0087 -0.0022 0.0162 873 LEU 114 CA -0.0103 -0.0006 0.0143 874 LEU 114 C -0.0075 0.0039 0.0128 875 LEU 114 O -0.0074 0.0066 0.0110 876 LEU 114 CB -0.0152 -0.0005 0.0117 877 LEU 114 CG -0.0187 -0.0048 0.0128 878 LEU 114 CD1 -0.0233 -0.0043 0.0101 879 LEU 114 CD2 -0.0189 -0.0068 0.0141 880 LEU 115 N -0.0125 -0.0133 0.0435 881 LEU 115 CA 0.0132 -0.0140 0.0206 882 LEU 115 C 0.0077 -0.0084 0.0052 883 LEU 115 O -0.0021 -0.0100 0.0211 884 LEU 115 CB 0.0455 -0.0268 0.0357 885 LEU 115 CG 0.0532 -0.0333 0.0520 886 LEU 115 CD1 0.0769 -0.0466 0.0773 887 LEU 115 CD2 0.0661 -0.0303 0.0283 888 ALA 116 N 0.0118 -0.0061 0.0043 889 ALA 116 CA 0.0102 -0.0043 -0.0007 890 ALA 116 C 0.0143 -0.0020 -0.0068 891 ALA 116 O 0.0158 -0.0016 -0.0080 892 ALA 116 CB 0.0023 -0.0036 -0.0024 893 GLU 117 N 0.0124 -0.0052 -0.0062 894 GLU 117 CA 0.0159 -0.0046 -0.0132 895 GLU 117 C 0.0115 -0.0037 -0.0197 896 GLU 117 O 0.0125 -0.0031 -0.0259 897 GLU 117 CB 0.0237 -0.0049 -0.0135 898 GLU 117 CG 0.0291 -0.0057 -0.0084 899 GLU 117 CD 0.0357 -0.0063 -0.0063 900 GLU 117 OE1 0.0348 -0.0067 -0.0017 901 GLU 117 OE2 0.0418 -0.0062 -0.0095 902 GLY 118 N 0.0028 -0.0043 -0.0146 903 GLY 118 CA 0.0010 -0.0045 -0.0172 904 GLY 118 C -0.0032 -0.0028 -0.0159 905 GLY 118 O -0.0036 -0.0014 -0.0122 906 VAL 119 N 0.0001 -0.0008 -0.0092 907 VAL 119 CA 0.0002 0.0009 -0.0091 908 VAL 119 C 0.0002 0.0018 -0.0080 909 VAL 119 O 0.0002 0.0019 -0.0085 910 VAL 119 CB 0.0004 0.0019 -0.0107 911 VAL 119 CG1 0.0005 0.0037 -0.0104 912 VAL 119 CG2 0.0004 0.0009 -0.0119 913 PHE 120 N -0.0078 -0.0004 -0.0071 914 PHE 120 CA -0.0087 0.0006 -0.0072 915 PHE 120 C -0.0085 -0.0002 -0.0073 916 PHE 120 O -0.0090 -0.0016 -0.0077 917 PHE 120 CB -0.0105 0.0007 -0.0077 918 PHE 120 CG -0.0108 0.0016 -0.0076 919 PHE 120 CD1 -0.0105 0.0009 -0.0077 920 PHE 120 CD2 -0.0113 0.0033 -0.0075 921 PHE 120 CE1 -0.0108 0.0017 -0.0076 922 PHE 120 CE2 -0.0116 0.0042 -0.0074 923 PHE 120 CZ -0.0113 0.0034 -0.0075 924 VAL 121 N -0.0041 0.0060 -0.0043 925 VAL 121 CA -0.0029 0.0059 -0.0044 926 VAL 121 C -0.0048 0.0079 -0.0039 927 VAL 121 O -0.0049 0.0107 -0.0034 928 VAL 121 CB 0.0005 0.0068 -0.0044 929 VAL 121 CG1 0.0018 0.0064 -0.0045 930 VAL 121 CG2 0.0025 0.0048 -0.0048 931 TYR 122 N -0.0149 0.0040 -0.0006 932 TYR 122 CA -0.0153 0.0044 -0.0005 933 TYR 122 C -0.0154 0.0045 -0.0005 934 TYR 122 O -0.0158 0.0043 -0.0003 935 TYR 122 CB -0.0158 0.0042 -0.0002 936 TYR 122 CG -0.0157 0.0040 -0.0002 937 TYR 122 CD1 -0.0156 0.0044 -0.0004 938 TYR 122 CD2 -0.0155 0.0035 -0.0001 939 TYR 122 CE1 -0.0155 0.0043 -0.0004 940 TYR 122 CE2 -0.0154 0.0034 -0.0002 941 TYR 122 CZ -0.0154 0.0038 -0.0003 942 TYR 122 OH -0.0152 0.0036 -0.0003 943 LEU 123 N -0.0165 0.0007 -0.0120 944 LEU 123 CA -0.0188 0.0022 -0.0120 945 LEU 123 C -0.0202 0.0030 -0.0139 946 LEU 123 O -0.0196 0.0026 -0.0162 947 LEU 123 CB -0.0192 0.0024 -0.0126 948 LEU 123 CG -0.0179 0.0017 -0.0108 949 LEU 123 CD1 -0.0182 0.0018 -0.0119 950 LEU 123 CD2 -0.0187 0.0023 -0.0080 951 GLN 124 N -0.0140 0.0015 -0.0149 952 GLN 124 CA -0.0097 0.0079 -0.0066 953 GLN 124 C -0.0031 0.0138 -0.0110 954 GLN 124 O 0.0004 0.0152 -0.0203 955 GLN 124 CB -0.0071 0.0121 -0.0008 956 GLN 124 CG -0.0140 0.0062 0.0050 957 GLN 124 CD -0.0116 0.0097 0.0091 958 GLN 124 OE1 -0.0074 0.0127 0.0033 959 GLN 124 NE2 -0.0146 0.0091 0.0195 960 GLY 125 N 0.0046 0.0074 0.0087 961 GLY 125 CA 0.0145 0.0287 -0.0165 962 GLY 125 C 0.0319 0.0376 0.0282 963 GLY 125 O 0.0397 0.0317 0.0793 964 SER 126 N -0.0151 -0.0686 -0.0201 965 SER 126 CA -0.0048 -0.0087 -0.0004 966 SER 126 C 0.0124 0.0555 0.0207 967 SER 126 O 0.0461 0.1026 0.0355 968 SER 126 CB 0.0588 -0.0209 -0.0062 969 SER 126 OG 0.1257 -0.0311 -0.0114 970 LYS 127 N -0.0551 -0.0409 -0.0054 971 LYS 127 CA -0.0120 -0.0015 -0.0389 972 LYS 127 C 0.0091 0.0351 -0.0901 973 LYS 127 O -0.0106 0.0280 -0.0970 974 LYS 127 CB 0.0490 0.0065 0.0102 975 LYS 127 CG 0.0348 -0.0290 0.0664 976 LYS 127 CD 0.0191 -0.0274 0.0465 977 LYS 127 CE -0.0286 -0.0711 0.0836 978 LYS 127 NZ -0.0920 -0.0827 0.0393 979 LYS 127 OXT 0.0497 0.0717 -0.1204