1 ASP 28 N 0.0208 -0.0432 -0.0329 2 ASP 28 CA 0.0175 -0.0280 0.0021 3 ASP 28 C 0.0297 -0.0549 0.0288 4 ASP 28 O 0.0381 -0.0781 0.0220 5 ASP 28 CB 0.0087 -0.0049 0.0015 6 ASP 28 CG 0.0047 0.0120 0.0366 7 ASP 28 OD1 -0.0023 0.0326 0.0488 8 ASP 28 OD2 0.0079 0.0064 0.0516 9 ASP 28 H 0.0126 -0.0253 -0.0519 10 ASP 28 HA 0.0126 -0.0138 0.0090 11 ASP 28 HB2 0.0000 0.0141 -0.0176 12 ASP 28 HB3 0.0136 -0.0193 -0.0063 13 PRO 29 N 0.0038 0.0055 -0.0118 14 PRO 29 CA 0.0172 0.0069 -0.0107 15 PRO 29 C 0.0228 0.0005 -0.0191 16 PRO 29 O 0.0177 -0.0018 -0.0217 17 PRO 29 CB 0.0183 0.0146 -0.0010 18 PRO 29 CG 0.0060 0.0183 0.0043 19 PRO 29 CD -0.0035 0.0118 -0.0035 20 PRO 29 HA 0.0221 0.0074 -0.0103 21 PRO 29 HB2 0.0202 0.0133 -0.0027 22 PRO 29 HB3 0.0260 0.0181 0.0031 23 PRO 29 HG2 0.0038 0.0216 0.0086 24 PRO 29 HG3 0.0064 0.0220 0.0089 25 PRO 29 HD2 -0.0076 0.0100 -0.0056 26 PRO 29 HD3 -0.0107 0.0136 -0.0009 27 ASN 30 N -0.0112 0.0149 0.0110 28 ASN 30 CA -0.0124 0.0173 0.0054 29 ASN 30 C -0.0189 0.0239 -0.0062 30 ASN 30 O -0.0297 0.0285 -0.0057 31 ASN 30 CB -0.0183 0.0167 0.0151 32 ASN 30 CG -0.0203 0.0192 0.0102 33 ASN 30 OD1 -0.0125 0.0158 0.0101 34 ASN 30 ND2 -0.0306 0.0249 0.0065 35 ASN 30 H -0.0033 0.0109 0.0128 36 ASN 30 HA -0.0035 0.0144 0.0024 37 ASN 30 HB2 -0.0125 0.0118 0.0223 38 ASN 30 HB3 -0.0265 0.0191 0.0187 39 ASN 30 HD21 -0.0366 0.0273 0.0071 40 ASN 30 HD22 -0.0321 0.0266 0.0033 41 ALA 31 N -0.0090 0.0601 -0.0411 42 ALA 31 CA -0.0086 0.0170 -0.0150 43 ALA 31 C -0.0172 0.0591 0.0365 44 ALA 31 O -0.0241 0.0615 0.1007 45 ALA 31 CB -0.0072 -0.0520 0.0209 46 ALA 31 H -0.0150 0.1051 -0.0167 47 ALA 31 HA -0.0027 0.0026 -0.0605 48 ALA 31 HB1 -0.0065 -0.0838 0.0374 49 ALA 31 HB2 -0.0130 -0.0387 0.0668 50 ALA 31 HB3 -0.0010 -0.0819 -0.0161 51 GLU 32 N -0.0087 -0.0224 -0.0194 52 GLU 32 CA -0.0101 -0.0228 -0.0182 53 GLU 32 C -0.0125 -0.0299 -0.0188 54 GLU 32 O -0.0150 -0.0315 -0.0170 55 GLU 32 CB -0.0055 -0.0201 -0.0217 56 GLU 32 CG -0.0016 -0.0236 -0.0274 57 GLU 32 CD 0.0028 -0.0209 -0.0306 58 GLU 32 OE1 0.0026 -0.0231 -0.0314 59 GLU 32 OE2 0.0063 -0.0164 -0.0323 60 GLU 32 H -0.0053 -0.0221 -0.0228 61 GLU 32 HA -0.0125 -0.0199 -0.0144 62 GLU 32 HB2 -0.0067 -0.0205 -0.0207 63 GLU 32 HB3 -0.0039 -0.0151 -0.0212 64 GLU 32 HG2 -0.0002 -0.0232 -0.0285 65 GLU 32 HG3 -0.0032 -0.0287 -0.0279 66 PHE 33 N 0.0096 0.0124 0.0058 67 PHE 33 CA 0.0089 0.0120 0.0052 68 PHE 33 C 0.0140 -0.0083 0.0149 69 PHE 33 O 0.0159 -0.0229 0.0200 70 PHE 33 CB -0.0074 0.0129 -0.0123 71 PHE 33 CG -0.0188 -0.0041 -0.0208 72 PHE 33 CD1 -0.0217 -0.0245 -0.0196 73 PHE 33 CD2 -0.0264 0.0005 -0.0299 74 PHE 33 CE1 -0.0320 -0.0399 -0.0272 75 PHE 33 CE2 -0.0366 -0.0149 -0.0375 76 PHE 33 CZ -0.0394 -0.0351 -0.0362 77 PHE 33 H 0.0021 0.0034 -0.0002 78 PHE 33 HA 0.0160 0.0258 0.0098 79 PHE 33 HB2 -0.0082 0.0104 -0.0126 80 PHE 33 HB3 -0.0103 0.0283 -0.0187 81 PHE 33 HD1 -0.0159 -0.0284 -0.0126 82 PHE 33 HD2 -0.0242 0.0164 -0.0310 83 PHE 33 HE1 -0.0341 -0.0558 -0.0262 84 PHE 33 HE2 -0.0425 -0.0111 -0.0445 85 PHE 33 HZ -0.0474 -0.0472 -0.0421 86 ASP 34 N 0.0020 -0.0016 0.0168 87 ASP 34 CA 0.0006 -0.0029 0.0179 88 ASP 34 C 0.0042 -0.0058 0.0158 89 ASP 34 O 0.0065 -0.0090 0.0147 90 ASP 34 CB -0.0031 -0.0062 0.0209 91 ASP 34 CG -0.0050 -0.0071 0.0222 92 ASP 34 OD1 -0.0032 -0.0102 0.0214 93 ASP 34 OD2 -0.0084 -0.0048 0.0242 94 ASP 34 H 0.0023 -0.0043 0.0170 95 ASP 34 HA -0.0003 0.0005 0.0181 96 ASP 34 HB2 -0.0055 -0.0043 0.0222 97 ASP 34 HB3 -0.0021 -0.0097 0.0206 98 PRO 35 N 0.0034 0.0035 0.0038 99 PRO 35 CA 0.0147 0.0065 0.0070 100 PRO 35 C 0.0255 0.0090 0.0125 101 PRO 35 O 0.0355 0.0117 0.0151 102 PRO 35 CB 0.0178 0.0095 -0.0056 103 PRO 35 CG 0.0137 0.0097 -0.0150 104 PRO 35 CD 0.0024 0.0053 -0.0099 105 PRO 35 HA 0.0131 0.0049 0.0137 106 PRO 35 HB2 0.0275 0.0125 -0.0056 107 PRO 35 HB3 0.0128 0.0081 -0.0071 108 PRO 35 HG2 0.0209 0.0121 -0.0159 109 PRO 35 HG3 0.0116 0.0105 -0.0241 110 PRO 35 HD2 0.0024 0.0056 -0.0114 111 PRO 35 HD3 -0.0058 0.0035 -0.0143 112 ASP 36 N 0.0119 0.0115 0.0065 113 ASP 36 CA 0.0219 0.0078 0.0146 114 ASP 36 C 0.0195 0.0110 0.0261 115 ASP 36 O 0.0264 0.0085 0.0317 116 ASP 36 CB 0.0268 0.0058 0.0173 117 ASP 36 CG 0.0369 0.0021 0.0259 118 ASP 36 OD1 0.0456 -0.0030 0.0223 119 ASP 36 OD2 0.0363 0.0043 0.0367 120 ASP 36 H 0.0065 0.0145 0.0081 121 ASP 36 HA 0.0277 0.0040 0.0101 122 ASP 36 HB2 0.0289 0.0032 0.0088 123 ASP 36 HB3 0.0207 0.0095 0.0210 124 LEU 37 N -0.0047 0.0031 0.0270 125 LEU 37 CA -0.0031 -0.0052 0.0213 126 LEU 37 C 0.0082 -0.0076 0.0148 127 LEU 37 O 0.0165 -0.0006 0.0155 128 LEU 37 CB -0.0054 -0.0034 0.0234 129 LEU 37 CG -0.0175 -0.0043 0.0282 130 LEU 37 CD1 -0.0243 -0.0148 0.0248 131 LEU 37 CD2 -0.0227 0.0040 0.0355 132 LEU 37 H -0.0025 0.0102 0.0304 133 LEU 37 HA -0.0092 -0.0118 0.0199 134 LEU 37 HB2 -0.0009 0.0042 0.0260 135 LEU 37 HB3 -0.0019 -0.0087 0.0186 136 LEU 37 HG -0.0176 -0.0034 0.0288 137 LEU 37 HD11 -0.0327 -0.0152 0.0282 138 LEU 37 HD12 -0.0243 -0.0162 0.0240 139 LEU 37 HD13 -0.0210 -0.0205 0.0198 140 LEU 37 HD21 -0.0311 0.0031 0.0386 141 LEU 37 HD22 -0.0181 0.0115 0.0380 142 LEU 37 HD23 -0.0224 0.0033 0.0350 143 PRO 38 N 0.0044 0.0097 0.0107 144 PRO 38 CA 0.0088 0.0076 0.0105 145 PRO 38 C 0.0118 0.0058 0.0102 146 PRO 38 O 0.0103 0.0038 0.0085 147 PRO 38 CB 0.0073 0.0043 0.0080 148 PRO 38 CG 0.0024 0.0057 0.0076 149 PRO 38 CD 0.0004 0.0081 0.0085 150 PRO 38 HA 0.0106 0.0096 0.0123 151 PRO 38 HB2 0.0077 0.0015 0.0064 152 PRO 38 HB3 0.0094 0.0039 0.0084 153 PRO 38 HG2 0.0006 0.0031 0.0055 154 PRO 38 HG3 0.0022 0.0076 0.0087 155 PRO 38 HD2 -0.0010 0.0061 0.0070 156 PRO 38 HD3 -0.0022 0.0105 0.0093 157 GLY 39 N 0.0137 0.0055 0.0034 158 GLY 39 CA 0.0150 0.0030 0.0036 159 GLY 39 C 0.0142 0.0034 0.0030 160 GLY 39 O 0.0145 0.0012 0.0024 161 GLY 39 H 0.0145 0.0071 0.0047 162 GLY 39 HA2 0.0169 0.0028 0.0053 163 GLY 39 HA3 0.0147 0.0009 0.0025 164 GLY 40 N 0.0108 0.0084 0.0130 165 GLY 40 CA 0.0099 0.0095 0.0129 166 GLY 40 C 0.0084 0.0091 0.0131 167 GLY 40 O 0.0076 0.0099 0.0130 168 GLY 40 H 0.0112 0.0084 0.0130 169 GLY 40 HA2 0.0100 0.0104 0.0127 170 GLY 40 HA3 0.0103 0.0099 0.0128 171 GLY 41 N 0.0082 -0.0013 0.0109 172 GLY 41 CA 0.0038 -0.0041 0.0070 173 GLY 41 C 0.0077 -0.0086 0.0054 174 GLY 41 O 0.0049 -0.0109 0.0025 175 GLY 41 H 0.0091 -0.0022 0.0106 176 GLY 41 HA2 0.0011 -0.0063 0.0043 177 GLY 41 HA3 0.0002 -0.0008 0.0079 178 LEU 42 N 0.0105 -0.0089 -0.0033 179 LEU 42 CA 0.0129 -0.0133 -0.0035 180 LEU 42 C 0.0132 -0.0134 -0.0051 181 LEU 42 O 0.0152 -0.0168 -0.0061 182 LEU 42 CB 0.0134 -0.0156 0.0015 183 LEU 42 CG 0.0132 -0.0158 0.0037 184 LEU 42 CD1 0.0137 -0.0181 0.0087 185 LEU 42 CD2 0.0150 -0.0181 0.0005 186 LEU 42 H 0.0093 -0.0076 -0.0003 187 LEU 42 HA 0.0142 -0.0150 -0.0060 188 LEU 42 HB2 0.0122 -0.0139 0.0039 189 LEU 42 HB3 0.0152 -0.0188 0.0013 190 LEU 42 HG 0.0114 -0.0126 0.0041 191 LEU 42 HD11 0.0136 -0.0183 0.0102 192 LEU 42 HD12 0.0155 -0.0213 0.0085 193 LEU 42 HD13 0.0124 -0.0163 0.0111 194 LEU 42 HD21 0.0168 -0.0213 -0.0000 195 LEU 42 HD22 0.0148 -0.0183 0.0022 196 LEU 42 HD23 0.0145 -0.0163 -0.0030 197 HIS 43 N 0.0118 -0.0055 -0.0138 198 HIS 43 CA 0.0125 -0.0064 -0.0185 199 HIS 43 C 0.0085 -0.0048 -0.0233 200 HIS 43 O 0.0039 -0.0022 -0.0230 201 HIS 43 CB 0.0118 -0.0058 -0.0165 202 HIS 43 CG 0.0151 -0.0070 -0.0111 203 HIS 43 ND1 0.0201 -0.0098 -0.0114 204 HIS 43 CD2 0.0141 -0.0057 -0.0053 205 HIS 43 CE1 0.0221 -0.0102 -0.0061 206 HIS 43 NE2 0.0185 -0.0078 -0.0023 207 HIS 43 H 0.0084 -0.0034 -0.0122 208 HIS 43 HA 0.0163 -0.0087 -0.0202 209 HIS 43 HB2 0.0077 -0.0034 -0.0157 210 HIS 43 HB3 0.0127 -0.0067 -0.0201 211 HIS 43 HD1 0.0221 -0.0113 -0.0150 212 HIS 43 HD2 0.0105 -0.0035 -0.0034 213 HIS 43 HE1 0.0259 -0.0122 -0.0051 214 HIS 43 HE2 0.0192 -0.0076 0.0020 215 ARG 44 N -0.0104 -0.0240 -0.0295 216 ARG 44 CA -0.0119 -0.0247 -0.0300 217 ARG 44 C -0.0104 -0.0232 -0.0332 218 ARG 44 O -0.0073 -0.0215 -0.0339 219 ARG 44 CB -0.0109 -0.0249 -0.0266 220 ARG 44 CG -0.0113 -0.0260 -0.0228 221 ARG 44 CD -0.0099 -0.0259 -0.0196 222 ARG 44 NE -0.0100 -0.0268 -0.0158 223 ARG 44 CZ -0.0092 -0.0271 -0.0125 224 ARG 44 NH1 -0.0082 -0.0266 -0.0127 225 ARG 44 NH2 -0.0094 -0.0280 -0.0092 226 ARG 44 H -0.0079 -0.0228 -0.0292 227 ARG 44 HA -0.0147 -0.0260 -0.0305 228 ARG 44 HB2 -0.0083 -0.0236 -0.0267 229 ARG 44 HB3 -0.0125 -0.0257 -0.0268 230 ARG 44 HG2 -0.0141 -0.0274 -0.0225 231 ARG 44 HG3 -0.0099 -0.0253 -0.0227 232 ARG 44 HD2 -0.0072 -0.0245 -0.0200 233 ARG 44 HD3 -0.0114 -0.0267 -0.0198 234 ARG 44 HE -0.0106 -0.0272 -0.0157 235 ARG 44 HH11 -0.0080 -0.0260 -0.0151 236 ARG 44 HH12 -0.0076 -0.0268 -0.0103 237 ARG 44 HH21 -0.0101 -0.0284 -0.0089 238 ARG 44 HH22 -0.0088 -0.0282 -0.0067 239 CYS 45 N -0.0158 -0.0188 -0.0206 240 CYS 45 CA -0.0155 -0.0157 -0.0164 241 CYS 45 C -0.0122 -0.0166 -0.0140 242 CYS 45 O -0.0088 -0.0193 -0.0136 243 CYS 45 CB -0.0147 -0.0150 -0.0147 244 CYS 45 SG -0.0136 -0.0115 -0.0091 245 CYS 45 H -0.0139 -0.0212 -0.0215 246 CYS 45 HA -0.0183 -0.0134 -0.0165 247 CYS 45 HB2 -0.0173 -0.0141 -0.0163 248 CYS 45 HB3 -0.0123 -0.0176 -0.0153 249 LEU 46 N -0.0207 -0.0284 -0.0226 250 LEU 46 CA -0.0142 -0.0312 -0.0023 251 LEU 46 C -0.0101 -0.0385 0.0093 252 LEU 46 O -0.0053 -0.0517 0.0220 253 LEU 46 CB -0.0129 -0.0115 0.0062 254 LEU 46 CG -0.0164 -0.0037 -0.0037 255 LEU 46 CD1 -0.0151 0.0168 0.0048 256 LEU 46 CD2 -0.0150 -0.0191 -0.0022 257 LEU 46 H -0.0233 -0.0146 -0.0278 258 LEU 46 HA -0.0133 -0.0429 -0.0019 259 LEU 46 HB2 -0.0139 0.0001 0.0054 260 LEU 46 HB3 -0.0080 -0.0138 0.0212 261 LEU 46 HG -0.0213 -0.0021 -0.0188 262 LEU 46 HD11 -0.0166 0.0278 0.0024 263 LEU 46 HD12 -0.0176 0.0217 -0.0020 264 LEU 46 HD13 -0.0102 0.0153 0.0203 265 LEU 46 HD21 -0.0164 -0.0331 -0.0096 266 LEU 46 HD22 -0.0101 -0.0219 0.0129 267 LEU 46 HD23 -0.0175 -0.0128 -0.0089 268 ALA 47 N -0.0033 -0.0134 -0.0034 269 ALA 47 CA -0.0029 -0.0129 -0.0031 270 ALA 47 C -0.0074 -0.0210 -0.0044 271 ALA 47 O -0.0069 -0.0227 -0.0026 272 ALA 47 CB -0.0037 -0.0050 -0.0089 273 ALA 47 H -0.0045 -0.0093 -0.0074 274 ALA 47 HA 0.0016 -0.0122 0.0025 275 ALA 47 HB1 -0.0031 -0.0045 -0.0083 276 ALA 47 HB2 -0.0082 -0.0057 -0.0145 277 ALA 47 HB3 -0.0004 0.0007 -0.0079 278 CYS 48 N -0.0146 -0.0312 -0.0018 279 CYS 48 CA -0.0145 -0.0326 -0.0022 280 CYS 48 C -0.0123 -0.0404 -0.0039 281 CYS 48 O -0.0107 -0.0419 -0.0042 282 CYS 48 CB -0.0220 -0.0302 -0.0020 283 CYS 48 SG -0.0235 -0.0208 0.0002 284 CYS 48 H -0.0182 -0.0337 -0.0026 285 CYS 48 HA -0.0101 -0.0291 -0.0011 286 CYS 48 HB2 -0.0273 -0.0321 -0.0027 287 CYS 48 HB3 -0.0216 -0.0312 -0.0022 288 ALA 49 N -0.0209 -0.0590 -0.0064 289 ALA 49 CA -0.0228 -0.0610 0.0026 290 ALA 49 C -0.0227 -0.0719 -0.0132 291 ALA 49 O -0.0256 -0.0806 -0.0075 292 ALA 49 CB -0.0286 -0.0724 0.0231 293 ALA 49 H -0.0177 -0.0451 -0.0072 294 ALA 49 HA -0.0198 -0.0454 0.0057 295 ALA 49 HB1 -0.0316 -0.0879 0.0201 296 ALA 49 HB2 -0.0285 -0.0644 0.0339 297 ALA 49 HB3 -0.0298 -0.0730 0.0298 298 ARG 50 N 0.0003 -0.0493 -0.0046 299 ARG 50 CA -0.0171 -0.0568 -0.0073 300 ARG 50 C -0.0392 -0.0704 -0.0120 301 ARG 50 O -0.0485 -0.0645 -0.0102 302 ARG 50 CB -0.0270 -0.0350 -0.0003 303 ARG 50 CG -0.0061 -0.0210 0.0045 304 ARG 50 CD -0.0174 0.0002 0.0113 305 ARG 50 NE 0.0026 0.0145 0.0162 306 ARG 50 CZ -0.0019 0.0353 0.0229 307 ARG 50 NH1 -0.0258 0.0437 0.0253 308 ARG 50 NH2 0.0173 0.0471 0.0270 309 ARG 50 H -0.0046 -0.0360 -0.0003 310 ARG 50 HA -0.0068 -0.0691 -0.0112 311 ARG 50 HB2 -0.0369 -0.0224 0.0037 312 ARG 50 HB3 -0.0406 -0.0418 -0.0027 313 ARG 50 HG2 0.0036 -0.0332 0.0007 314 ARG 50 HG3 0.0077 -0.0139 0.0070 315 ARG 50 HD2 -0.0275 0.0123 0.0151 316 ARG 50 HD3 -0.0308 -0.0070 0.0088 317 ARG 50 HE 0.0202 0.0077 0.0142 318 ARG 50 HH11 -0.0410 0.0352 0.0224 319 ARG 50 HH12 -0.0300 0.0590 0.0303 320 ARG 50 HH21 0.0357 0.0411 0.0253 321 ARG 50 HH22 0.0144 0.0629 0.0321 322 TYR 51 N -0.0119 -0.0267 -0.0190 323 TYR 51 CA -0.0077 -0.0255 -0.0150 324 TYR 51 C -0.0040 -0.0258 -0.0124 325 TYR 51 O -0.0055 -0.0234 -0.0118 326 TYR 51 CB -0.0098 -0.0199 -0.0126 327 TYR 51 CG -0.0140 -0.0191 -0.0152 328 TYR 51 CD1 -0.0192 -0.0175 -0.0180 329 TYR 51 CD2 -0.0127 -0.0200 -0.0149 330 TYR 51 CE1 -0.0230 -0.0168 -0.0204 331 TYR 51 CE2 -0.0166 -0.0193 -0.0173 332 TYR 51 CZ -0.0217 -0.0177 -0.0200 333 TYR 51 OH -0.0255 -0.0169 -0.0224 334 TYR 51 H -0.0143 -0.0238 -0.0188 335 TYR 51 HA -0.0059 -0.0283 -0.0155 336 TYR 51 HB2 -0.0114 -0.0172 -0.0120 337 TYR 51 HB3 -0.0066 -0.0191 -0.0096 338 TYR 51 HD1 -0.0203 -0.0168 -0.0183 339 TYR 51 HD2 -0.0087 -0.0213 -0.0128 340 TYR 51 HE1 -0.0270 -0.0155 -0.0225 341 TYR 51 HE2 -0.0155 -0.0200 -0.0170 342 TYR 51 HH -0.0283 -0.0137 -0.0222 343 PHE 52 N -0.0036 0.0081 -0.0165 344 PHE 52 CA 0.0008 0.0076 -0.0116 345 PHE 52 C 0.0026 0.0097 -0.0114 346 PHE 52 O -0.0003 0.0090 -0.0138 347 PHE 52 CB 0.0002 0.0015 -0.0080 348 PHE 52 CG -0.0015 -0.0010 -0.0080 349 PHE 52 CD1 -0.0064 -0.0030 -0.0115 350 PHE 52 CD2 0.0017 -0.0012 -0.0046 351 PHE 52 CE1 -0.0079 -0.0053 -0.0115 352 PHE 52 CE2 0.0001 -0.0035 -0.0046 353 PHE 52 CZ -0.0047 -0.0055 -0.0080 354 PHE 52 H -0.0065 0.0058 -0.0178 355 PHE 52 HA 0.0035 0.0101 -0.0107 356 PHE 52 HB2 -0.0024 -0.0009 -0.0089 357 PHE 52 HB3 0.0035 0.0013 -0.0044 358 PHE 52 HD1 -0.0089 -0.0029 -0.0142 359 PHE 52 HD2 0.0055 0.0004 -0.0019 360 PHE 52 HE1 -0.0117 -0.0069 -0.0142 361 PHE 52 HE2 0.0027 -0.0036 -0.0019 362 PHE 52 HZ -0.0060 -0.0073 -0.0081 363 ILE 53 N 0.0278 0.0206 -0.0086 364 ILE 53 CA 0.0225 0.0139 -0.0069 365 ILE 53 C 0.0139 0.0045 -0.0028 366 ILE 53 O 0.0101 -0.0042 -0.0050 367 ILE 53 CB 0.0214 0.0209 0.0008 368 ILE 53 CG1 0.0178 0.0272 0.0113 369 ILE 53 CG2 0.0297 0.0286 -0.0042 370 ILE 53 CD1 0.0162 0.0340 0.0195 371 ILE 53 H 0.0297 0.0283 -0.0045 372 ILE 53 HA 0.0256 0.0104 -0.0143 373 ILE 53 HB 0.0170 0.0153 0.0022 374 ILE 53 HG12 0.0220 0.0326 0.0100 375 ILE 53 HG13 0.0119 0.0213 0.0146 376 ILE 53 HG21 0.0343 0.0340 -0.0061 377 ILE 53 HG22 0.0317 0.0240 -0.0112 378 ILE 53 HG23 0.0288 0.0335 0.0013 379 ILE 53 HD11 0.0117 0.0287 0.0213 380 ILE 53 HD12 0.0138 0.0382 0.0265 381 ILE 53 HD13 0.0220 0.0399 0.0164 382 ASP 54 N 0.0080 0.0259 -0.0019 383 ASP 54 CA 0.0054 0.0210 0.0008 384 ASP 54 C 0.0064 0.0208 -0.0008 385 ASP 54 O 0.0082 0.0257 -0.0023 386 ASP 54 CB 0.0018 0.0223 0.0071 387 ASP 54 CG -0.0012 0.0172 0.0102 388 ASP 54 OD1 -0.0024 0.0123 0.0108 389 ASP 54 OD2 -0.0022 0.0181 0.0122 390 ASP 54 H 0.0092 0.0297 -0.0027 391 ASP 54 HA 0.0054 0.0165 -0.0005 392 ASP 54 HB2 0.0012 0.0227 0.0080 393 ASP 54 HB3 0.0018 0.0268 0.0084 394 SER 55 N 0.0023 0.0203 -0.0125 395 SER 55 CA 0.0035 0.0251 -0.0109 396 SER 55 C 0.0019 0.0275 -0.0127 397 SER 55 O 0.0034 0.0302 -0.0109 398 SER 55 CB 0.0030 0.0282 -0.0114 399 SER 55 OG 0.0040 0.0330 -0.0101 400 SER 55 H 0.0012 0.0197 -0.0138 401 SER 55 HA 0.0060 0.0248 -0.0080 402 SER 55 HB2 0.0044 0.0265 -0.0099 403 SER 55 HB3 0.0005 0.0282 -0.0143 404 SER 55 HG 0.0022 0.0350 -0.0121 405 THR 56 N 0.0029 0.0393 -0.0020 406 THR 56 CA 0.0049 0.0389 0.0051 407 THR 56 C 0.0045 0.0472 0.0007 408 THR 56 O 0.0042 0.0445 0.0005 409 THR 56 CB 0.0087 0.0420 0.0168 410 THR 56 OG1 0.0090 0.0351 0.0203 411 THR 56 CG2 0.0108 0.0400 0.0247 412 THR 56 H 0.0041 0.0421 0.0011 413 THR 56 HA 0.0040 0.0304 0.0052 414 THR 56 HB 0.0096 0.0508 0.0164 415 THR 56 HG1 0.0085 0.0388 0.0172 416 THR 56 HG21 0.0135 0.0423 0.0329 417 THR 56 HG22 0.0099 0.0312 0.0248 418 THR 56 HG23 0.0106 0.0452 0.0221 419 ASN 57 N 0.0041 0.0223 0.0132 420 ASN 57 CA 0.0046 0.0328 0.0078 421 ASN 57 C 0.0013 0.0286 -0.0047 422 ASN 57 O 0.0013 0.0319 -0.0071 423 ASN 57 CB 0.0061 0.0457 0.0053 424 ASN 57 CG 0.0101 0.0540 0.0175 425 ASN 57 OD1 0.0120 0.0627 0.0202 426 ASN 57 ND2 0.0113 0.0516 0.0250 427 ASN 57 H 0.0042 0.0239 0.0126 428 ASN 57 HA 0.0065 0.0348 0.0151 429 ASN 57 HB2 0.0049 0.0427 0.0021 430 ASN 57 HB3 0.0054 0.0516 -0.0026 431 ASN 57 HD21 0.0097 0.0447 0.0228 432 ASN 57 HD22 0.0139 0.0569 0.0329 433 LEU 58 N -0.0013 0.0150 -0.0112 434 LEU 58 CA -0.0045 0.0133 -0.0132 435 LEU 58 C -0.0063 0.0093 -0.0098 436 LEU 58 O -0.0068 0.0084 -0.0092 437 LEU 58 CB -0.0075 0.0135 -0.0175 438 LEU 58 CG -0.0115 0.0114 -0.0199 439 LEU 58 CD1 -0.0144 0.0073 -0.0178 440 LEU 58 CD2 -0.0110 0.0120 -0.0201 441 LEU 58 H -0.0016 0.0154 -0.0123 442 LEU 58 HA -0.0033 0.0150 -0.0140 443 LEU 58 HB2 -0.0061 0.0164 -0.0198 444 LEU 58 HB3 -0.0081 0.0124 -0.0167 445 LEU 58 HG -0.0129 0.0123 -0.0232 446 LEU 58 HD11 -0.0171 0.0059 -0.0195 447 LEU 58 HD12 -0.0132 0.0061 -0.0143 448 LEU 58 HD13 -0.0149 0.0069 -0.0179 449 LEU 58 HD21 -0.0098 0.0109 -0.0168 450 LEU 58 HD22 -0.0138 0.0106 -0.0219 451 LEU 58 HD23 -0.0090 0.0150 -0.0218 452 LYS 59 N -0.0105 0.0245 0.0034 453 LYS 59 CA -0.0092 0.0200 0.0024 454 LYS 59 C -0.0061 0.0088 -0.0001 455 LYS 59 O -0.0085 0.0024 0.0012 456 LYS 59 CB -0.0033 0.0269 -0.0013 457 LYS 59 CG 0.0059 0.0283 -0.0074 458 LYS 59 CD 0.0110 0.0359 -0.0105 459 LYS 59 CE 0.0123 0.0320 -0.0115 460 LYS 59 NZ 0.0176 0.0226 -0.0154 461 LYS 59 H -0.0074 0.0307 0.0015 462 LYS 59 HA -0.0156 0.0197 0.0066 463 LYS 59 HB2 -0.0030 0.0237 -0.0016 464 LYS 59 HB3 -0.0061 0.0346 0.0008 465 LYS 59 HG2 0.0056 0.0313 -0.0071 466 LYS 59 HG3 0.0090 0.0209 -0.0097 467 LYS 59 HD2 0.0075 0.0431 -0.0079 468 LYS 59 HD3 0.0172 0.0375 -0.0146 469 LYS 59 HE2 0.0061 0.0303 -0.0075 470 LYS 59 HE3 0.0155 0.0380 -0.0135 471 LYS 59 HZ1 0.0238 0.0242 -0.0195 472 LYS 59 HZ2 0.0183 0.0202 -0.0159 473 LYS 59 HZ3 0.0150 0.0164 -0.0139 474 THR 60 N -0.0061 0.0181 0.0010 475 THR 60 CA -0.0031 0.0141 0.0023 476 THR 60 C -0.0054 0.0117 0.0042 477 THR 60 O -0.0049 0.0077 0.0061 478 THR 60 CB 0.0019 0.0151 0.0005 479 THR 60 OG1 0.0040 0.0173 -0.0012 480 THR 60 CG2 0.0051 0.0111 0.0018 481 THR 60 H -0.0050 0.0209 -0.0008 482 THR 60 HA -0.0028 0.0121 0.0033 483 THR 60 HB 0.0013 0.0172 -0.0004 484 THR 60 HG1 0.0024 0.0202 -0.0023 485 THR 60 HG21 0.0085 0.0119 0.0005 486 THR 60 HG22 0.0055 0.0090 0.0029 487 THR 60 HG23 0.0035 0.0094 0.0031 488 HIS 61 N -0.0096 0.0027 0.0107 489 HIS 61 CA -0.0099 0.0014 0.0129 490 HIS 61 C -0.0141 -0.0001 0.0171 491 HIS 61 O -0.0135 -0.0023 0.0202 492 HIS 61 CB -0.0105 0.0038 0.0094 493 HIS 61 CG -0.0126 0.0030 0.0115 494 HIS 61 ND1 -0.0099 0.0008 0.0138 495 HIS 61 CD2 -0.0174 0.0040 0.0117 496 HIS 61 CE1 -0.0129 0.0006 0.0155 497 HIS 61 NE2 -0.0174 0.0024 0.0142 498 HIS 61 H -0.0104 0.0049 0.0077 499 HIS 61 HA -0.0062 -0.0003 0.0141 500 HIS 61 HB2 -0.0068 0.0040 0.0075 501 HIS 61 HB3 -0.0131 0.0058 0.0072 502 HIS 61 HD1 -0.0062 -0.0004 0.0143 503 HIS 61 HD2 -0.0207 0.0057 0.0102 504 HIS 61 HE1 -0.0125 -0.0009 0.0176 505 PHE 62 N -0.0092 0.0021 0.0092 506 PHE 62 CA -0.0118 0.0010 0.0114 507 PHE 62 C -0.0118 0.0007 0.0167 508 PHE 62 O -0.0140 -0.0003 0.0192 509 PHE 62 CB -0.0165 -0.0006 0.0095 510 PHE 62 CG -0.0170 -0.0004 0.0043 511 PHE 62 CD1 -0.0148 0.0006 0.0018 512 PHE 62 CD2 -0.0196 -0.0012 0.0019 513 PHE 62 CE1 -0.0152 0.0008 -0.0031 514 PHE 62 CE2 -0.0200 -0.0010 -0.0028 515 PHE 62 CZ -0.0179 -0.0001 -0.0054 516 PHE 62 H -0.0107 0.0017 0.0079 517 PHE 62 HA -0.0101 0.0017 0.0108 518 PHE 62 HB2 -0.0186 -0.0014 0.0108 519 PHE 62 HB3 -0.0176 -0.0011 0.0108 520 PHE 62 HD1 -0.0127 0.0012 0.0036 521 PHE 62 HD2 -0.0213 -0.0019 0.0039 522 PHE 62 HE1 -0.0135 0.0015 -0.0049 523 PHE 62 HE2 -0.0221 -0.0017 -0.0046 524 PHE 62 HZ -0.0183 0.0000 -0.0092 525 ARG 63 N -0.0055 0.0167 0.0358 526 ARG 63 CA -0.0057 0.0169 0.0273 527 ARG 63 C -0.0086 0.0123 0.0275 528 ARG 63 O -0.0094 0.0115 0.0208 529 ARG 63 CB -0.0074 0.0147 0.0200 530 ARG 63 CG -0.0040 0.0202 0.0185 531 ARG 63 CD -0.0058 0.0178 0.0112 532 ARG 63 NE -0.0068 0.0169 0.0029 533 ARG 63 CZ -0.0077 0.0159 -0.0049 534 ARG 63 NH1 -0.0075 0.0162 -0.0057 535 ARG 63 NH2 -0.0086 0.0148 -0.0119 536 ARG 63 H -0.0073 0.0137 0.0367 537 ARG 63 HA -0.0021 0.0226 0.0262 538 ARG 63 HB2 -0.0107 0.0093 0.0216 539 ARG 63 HB3 -0.0079 0.0144 0.0140 540 ARG 63 HG2 -0.0007 0.0255 0.0167 541 ARG 63 HG3 -0.0034 0.0207 0.0245 542 ARG 63 HD2 -0.0032 0.0220 0.0102 543 ARG 63 HD3 -0.0090 0.0126 0.0131 544 ARG 63 HE -0.0068 0.0168 0.0033 545 ARG 63 HH11 -0.0067 0.0172 -0.0005 546 ARG 63 HH12 -0.0082 0.0155 -0.0115 547 ARG 63 HH21 -0.0087 0.0147 -0.0115 548 ARG 63 HH22 -0.0094 0.0141 -0.0179 549 SER 64 N -0.0077 0.0107 0.0262 550 SER 64 CA -0.0073 0.0173 0.0190 551 SER 64 C -0.0022 0.0132 0.0121 552 SER 64 O 0.0019 0.0083 0.0082 553 SER 64 CB -0.0072 0.0206 0.0158 554 SER 64 OG -0.0113 0.0224 0.0225 555 SER 64 H -0.0067 0.0075 0.0269 556 SER 64 HA -0.0104 0.0225 0.0207 557 SER 64 HB2 -0.0037 0.0157 0.0129 558 SER 64 HB3 -0.0076 0.0263 0.0111 559 SER 64 HG -0.0144 0.0276 0.0242 560 LYS 65 N -0.0015 -0.0142 -0.0419 561 LYS 65 CA 0.0019 0.0136 -0.0250 562 LYS 65 C 0.0189 0.0101 0.0042 563 LYS 65 O 0.0237 0.0280 0.0198 564 LYS 65 CB -0.0070 0.0348 -0.0330 565 LYS 65 CG -0.0059 0.0222 -0.0359 566 LYS 65 CD 0.0100 0.0137 -0.0104 567 LYS 65 CE 0.0103 0.0015 -0.0146 568 LYS 65 NZ 0.0258 -0.0085 0.0096 569 LYS 65 H -0.0074 -0.0192 -0.0543 570 LYS 65 HA -0.0022 0.0238 -0.0287 571 LYS 65 HB2 -0.0028 0.0533 -0.0183 572 LYS 65 HB3 -0.0188 0.0428 -0.0513 573 LYS 65 HG2 -0.0134 0.0386 -0.0431 574 LYS 65 HG3 -0.0098 0.0032 -0.0501 575 LYS 65 HD2 0.0177 -0.0026 -0.0028 576 LYS 65 HD3 0.0136 0.0331 0.0034 577 LYS 65 HE2 0.0032 0.0186 -0.0208 578 LYS 65 HE3 0.0058 -0.0166 -0.0297 579 LYS 65 HZ1 0.0306 0.0083 0.0247 580 LYS 65 HZ2 0.0329 -0.0255 0.0160 581 LYS 65 HZ3 0.0256 -0.0162 0.0062 582 ASP 66 N 0.0151 0.0098 0.0171 583 ASP 66 CA 0.0194 0.0103 0.0177 584 ASP 66 C 0.0191 0.0082 0.0108 585 ASP 66 O 0.0195 0.0083 0.0109 586 ASP 66 CB 0.0274 0.0114 0.0196 587 ASP 66 CG 0.0319 0.0123 0.0216 588 ASP 66 OD1 0.0320 0.0142 0.0280 589 ASP 66 OD2 0.0355 0.0112 0.0169 590 ASP 66 H 0.0177 0.0099 0.0168 591 ASP 66 HA 0.0169 0.0114 0.0221 592 ASP 66 HB2 0.0274 0.0126 0.0239 593 ASP 66 HB3 0.0300 0.0102 0.0149 594 HIS 67 N 0.0043 0.0120 -0.0001 595 HIS 67 CA 0.0053 0.0090 -0.0023 596 HIS 67 C 0.0060 0.0042 -0.0038 597 HIS 67 O 0.0078 0.0029 -0.0076 598 HIS 67 CB 0.0038 0.0080 0.0009 599 HIS 67 CG 0.0046 0.0055 -0.0009 600 HIS 67 ND1 0.0067 0.0061 -0.0052 601 HIS 67 CD2 0.0035 0.0036 0.0013 602 HIS 67 CE1 0.0068 0.0049 -0.0055 603 HIS 67 NE2 0.0049 0.0034 -0.0016 604 HIS 67 H 0.0028 0.0129 0.0031 605 HIS 67 HA 0.0067 0.0109 -0.0051 606 HIS 67 HB2 0.0033 0.0113 0.0021 607 HIS 67 HB3 0.0023 0.0059 0.0037 608 HIS 67 HD1 0.0079 0.0074 -0.0077 609 HIS 67 HD2 0.0019 0.0020 0.0046 610 HIS 67 HE1 0.0082 0.0049 -0.0083 611 LYS 68 N 0.0087 0.0021 -0.0020 612 LYS 68 CA 0.0095 0.0001 -0.0023 613 LYS 68 C 0.0111 0.0011 -0.0039 614 LYS 68 O 0.0125 -0.0004 -0.0049 615 LYS 68 CB 0.0079 -0.0008 -0.0005 616 LYS 68 CG 0.0062 -0.0016 0.0011 617 LYS 68 CD 0.0046 -0.0025 0.0029 618 LYS 68 CE 0.0036 -0.0002 0.0033 619 LYS 68 NZ 0.0018 -0.0009 0.0050 620 LYS 68 H 0.0073 0.0030 -0.0009 621 LYS 68 HA 0.0103 -0.0015 -0.0026 622 LYS 68 HB2 0.0072 0.0008 -0.0003 623 LYS 68 HB3 0.0084 -0.0025 -0.0007 624 LYS 68 HG2 0.0068 -0.0031 0.0009 625 LYS 68 HG3 0.0056 0.0000 0.0013 626 LYS 68 HD2 0.0052 -0.0041 0.0027 627 LYS 68 HD3 0.0035 -0.0031 0.0040 628 LYS 68 HE2 0.0030 0.0015 0.0034 629 LYS 68 HE3 0.0046 0.0004 0.0022 630 LYS 68 HZ1 0.0023 -0.0024 0.0049 631 LYS 68 HZ2 0.0012 0.0007 0.0053 632 LYS 68 HZ3 0.0008 -0.0014 0.0061 633 LYS 69 N 0.0212 0.0051 0.0023 634 LYS 69 CA 0.0170 0.0001 -0.0009 635 LYS 69 C 0.0094 0.0024 0.0018 636 LYS 69 O 0.0074 0.0014 0.0014 637 LYS 69 CB 0.0154 -0.0052 -0.0047 638 LYS 69 CG 0.0094 -0.0103 -0.0077 639 LYS 69 CD 0.0082 -0.0146 -0.0109 640 LYS 69 CE 0.0019 -0.0199 -0.0140 641 LYS 69 NZ 0.0012 -0.0235 -0.0167 642 LYS 69 H 0.0225 0.0042 0.0015 643 LYS 69 HA 0.0206 -0.0013 -0.0025 644 LYS 69 HB2 0.0208 -0.0074 -0.0071 645 LYS 69 HB3 0.0138 -0.0033 -0.0030 646 LYS 69 HG2 0.0042 -0.0079 -0.0052 647 LYS 69 HG3 0.0112 -0.0128 -0.0099 648 LYS 69 HD2 0.0137 -0.0167 -0.0132 649 LYS 69 HD3 0.0070 -0.0118 -0.0086 650 LYS 69 HE2 -0.0035 -0.0179 -0.0118 651 LYS 69 HE3 0.0035 -0.0229 -0.0165 652 LYS 69 HZ1 -0.0032 -0.0271 -0.0188 653 LYS 69 HZ2 -0.0000 -0.0205 -0.0142 654 LYS 69 HZ3 0.0065 -0.0253 -0.0187 655 ARG 70 N 0.0198 -0.0073 -0.0049 656 ARG 70 CA 0.0114 -0.0045 -0.0025 657 ARG 70 C 0.0069 0.0050 -0.0027 658 ARG 70 O -0.0017 0.0066 -0.0000 659 ARG 70 CB 0.0137 -0.0032 -0.0036 660 ARG 70 CG 0.0050 -0.0012 -0.0009 661 ARG 70 CD -0.0016 -0.0095 0.0030 662 ARG 70 NE -0.0101 -0.0077 0.0056 663 ARG 70 CZ -0.0185 -0.0111 0.0091 664 ARG 70 NH1 -0.0194 -0.0165 0.0105 665 ARG 70 NH2 -0.0259 -0.0090 0.0113 666 ARG 70 H 0.0260 -0.0069 -0.0071 667 ARG 70 HA 0.0067 -0.0103 0.0002 668 ARG 70 HB2 0.0179 -0.0095 -0.0038 669 ARG 70 HB3 0.0180 0.0030 -0.0062 670 ARG 70 HG2 0.0072 -0.0006 -0.0018 671 ARG 70 HG3 0.0014 0.0055 -0.0009 672 ARG 70 HD2 -0.0036 -0.0103 0.0038 673 ARG 70 HD3 0.0020 -0.0162 0.0030 674 ARG 70 HE -0.0095 -0.0038 0.0046 675 ARG 70 HH11 -0.0141 -0.0184 0.0090 676 ARG 70 HH12 -0.0257 -0.0191 0.0132 677 ARG 70 HH21 -0.0253 -0.0050 0.0104 678 ARG 70 HH22 -0.0323 -0.0114 0.0140 679 LEU 71 N 0.0082 0.0024 -0.0064 680 LEU 71 CA 0.0065 0.0015 -0.0084 681 LEU 71 C 0.0044 0.0015 -0.0073 682 LEU 71 O 0.0037 0.0009 -0.0087 683 LEU 71 CB 0.0051 0.0010 -0.0093 684 LEU 71 CG 0.0068 0.0009 -0.0105 685 LEU 71 CD1 0.0052 0.0003 -0.0115 686 LEU 71 CD2 0.0087 0.0006 -0.0126 687 LEU 71 H 0.0081 0.0025 -0.0058 688 LEU 71 HA 0.0076 0.0012 -0.0100 689 LEU 71 HB2 0.0039 0.0012 -0.0078 690 LEU 71 HB3 0.0038 0.0003 -0.0108 691 LEU 71 HG 0.0080 0.0016 -0.0090 692 LEU 71 HD11 0.0040 -0.0003 -0.0130 693 LEU 71 HD12 0.0039 0.0006 -0.0100 694 LEU 71 HD13 0.0064 0.0003 -0.0123 695 LEU 71 HD21 0.0100 0.0011 -0.0118 696 LEU 71 HD22 0.0076 -0.0000 -0.0141 697 LEU 71 HD23 0.0099 0.0006 -0.0133 698 LYS 72 N 0.0028 0.0019 -0.0041 699 LYS 72 CA -0.0003 0.0027 -0.0016 700 LYS 72 C 0.0007 0.0027 0.0005 701 LYS 72 O -0.0017 0.0032 0.0008 702 LYS 72 CB -0.0011 0.0032 0.0014 703 LYS 72 CG -0.0044 0.0041 0.0042 704 LYS 72 CD -0.0051 0.0045 0.0068 705 LYS 72 CE -0.0084 0.0054 0.0096 706 LYS 72 NZ -0.0093 0.0058 0.0121 707 LYS 72 H 0.0041 0.0017 -0.0036 708 LYS 72 HA -0.0029 0.0030 -0.0034 709 LYS 72 HB2 -0.0018 0.0031 -0.0001 710 LYS 72 HB3 0.0015 0.0028 0.0031 711 LYS 72 HG2 -0.0036 0.0041 0.0059 712 LYS 72 HG3 -0.0070 0.0044 0.0025 713 LYS 72 HD2 -0.0058 0.0044 0.0051 714 LYS 72 HD3 -0.0025 0.0041 0.0086 715 LYS 72 HE2 -0.0076 0.0054 0.0114 716 LYS 72 HE3 -0.0109 0.0057 0.0078 717 LYS 72 HZ1 -0.0069 0.0055 0.0138 718 LYS 72 HZ2 -0.0101 0.0058 0.0104 719 LYS 72 HZ3 -0.0115 0.0064 0.0139 720 GLN 73 N 0.0026 0.0007 0.0034 721 GLN 73 CA -0.0021 -0.0021 0.0084 722 GLN 73 C -0.0055 0.0021 0.0120 723 GLN 73 O -0.0095 0.0034 0.0162 724 GLN 73 CB -0.0021 -0.0095 0.0084 725 GLN 73 CG 0.0009 -0.0143 0.0051 726 GLN 73 CD 0.0010 -0.0215 0.0050 727 GLN 73 OE1 0.0005 -0.0226 0.0055 728 GLN 73 NE2 0.0016 -0.0264 0.0043 729 GLN 73 H 0.0051 -0.0018 0.0008 730 GLN 73 HA -0.0032 -0.0021 0.0095 731 GLN 73 HB2 -0.0009 -0.0096 0.0071 732 GLN 73 HB3 -0.0057 -0.0114 0.0121 733 GLN 73 HG2 -0.0003 -0.0145 0.0065 734 GLN 73 HG3 0.0045 -0.0123 0.0014 735 GLN 73 HE21 0.0019 -0.0251 0.0040 736 GLN 73 HE22 0.0017 -0.0311 0.0042 737 LEU 74 N -0.0021 -0.0038 -0.0016 738 LEU 74 CA -0.0039 -0.0015 0.0016 739 LEU 74 C -0.0042 0.0054 0.0020 740 LEU 74 O -0.0060 0.0080 0.0053 741 LEU 74 CB -0.0026 -0.0037 -0.0006 742 LEU 74 CG -0.0044 -0.0023 0.0025 743 LEU 74 CD1 -0.0074 -0.0050 0.0080 744 LEU 74 CD2 -0.0028 -0.0048 -0.0002 745 LEU 74 H -0.0000 -0.0050 -0.0052 746 LEU 74 HA -0.0060 -0.0033 0.0054 747 LEU 74 HB2 -0.0022 -0.0085 -0.0013 748 LEU 74 HB3 -0.0005 -0.0015 -0.0043 749 LEU 74 HG -0.0046 0.0024 0.0029 750 LEU 74 HD11 -0.0086 -0.0041 0.0101 751 LEU 74 HD12 -0.0073 -0.0098 0.0078 752 LEU 74 HD13 -0.0086 -0.0031 0.0101 753 LEU 74 HD21 -0.0025 -0.0096 -0.0007 754 LEU 74 HD22 -0.0041 -0.0038 0.0020 755 LEU 74 HD23 -0.0007 -0.0027 -0.0040 756 SER 75 N 0.0055 0.0010 -0.0051 757 SER 75 CA 0.0067 -0.0021 -0.0046 758 SER 75 C 0.0024 -0.0119 -0.0034 759 SER 75 O 0.0046 -0.0169 -0.0025 760 SER 75 CB 0.0172 -0.0015 -0.0039 761 SER 75 OG 0.0184 -0.0039 -0.0034 762 SER 75 H 0.0007 0.0056 -0.0062 763 SER 75 HA 0.0026 0.0026 -0.0056 764 SER 75 HB2 0.0197 0.0055 -0.0048 765 SER 75 HB3 0.0212 -0.0061 -0.0029 766 SER 75 HG 0.0226 0.0007 -0.0038 767 VAL 76 N 0.0003 -0.0006 -0.0124 768 VAL 76 CA 0.0003 -0.0011 -0.0145 769 VAL 76 C -0.0026 -0.0021 -0.0141 770 VAL 76 O -0.0042 -0.0031 -0.0162 771 VAL 76 CB 0.0028 -0.0000 -0.0141 772 VAL 76 CG1 0.0027 -0.0005 -0.0163 773 VAL 76 CG2 0.0057 0.0010 -0.0145 774 VAL 76 H 0.0017 0.0002 -0.0108 775 VAL 76 HA 0.0005 -0.0014 -0.0168 776 VAL 76 HB 0.0026 0.0003 -0.0118 777 VAL 76 HG11 0.0045 0.0003 -0.0160 778 VAL 76 HG12 0.0029 -0.0009 -0.0186 779 VAL 76 HG13 0.0007 -0.0012 -0.0159 780 VAL 76 HG21 0.0075 0.0017 -0.0142 781 VAL 76 HG22 0.0058 0.0013 -0.0129 782 VAL 76 HG23 0.0060 0.0007 -0.0168 783 GLU 77 N 0.0056 -0.0082 -0.0105 784 GLU 77 CA 0.0002 -0.0097 -0.0092 785 GLU 77 C -0.0021 -0.0084 -0.0033 786 GLU 77 O -0.0008 -0.0065 0.0006 787 GLU 77 CB -0.0001 -0.0102 -0.0102 788 GLU 77 CG 0.0039 -0.0077 -0.0077 789 GLU 77 CD 0.0032 -0.0084 -0.0086 790 GLU 77 OE1 0.0047 -0.0095 -0.0131 791 GLU 77 OE2 0.0011 -0.0078 -0.0048 792 GLU 77 H 0.0079 -0.0062 -0.0077 793 GLU 77 HA -0.0022 -0.0117 -0.0119 794 GLU 77 HB2 -0.0041 -0.0111 -0.0085 795 GLU 77 HB3 0.0004 -0.0117 -0.0146 796 GLU 77 HG2 0.0080 -0.0068 -0.0094 797 GLU 77 HG3 0.0034 -0.0063 -0.0033 798 PRO 78 N -0.0055 -0.0070 0.0045 799 PRO 78 CA -0.0086 -0.0061 0.0102 800 PRO 78 C -0.0146 -0.0089 0.0160 801 PRO 78 O -0.0181 -0.0149 0.0141 802 PRO 78 CB -0.0094 -0.0106 0.0061 803 PRO 78 CG -0.0051 -0.0118 -0.0018 804 PRO 78 CD -0.0047 -0.0118 -0.0026 805 PRO 78 HA -0.0061 -0.0008 0.0128 806 PRO 78 HB2 -0.0140 -0.0154 0.0072 807 PRO 78 HB3 -0.0084 -0.0078 0.0079 808 PRO 78 HG2 -0.0068 -0.0167 -0.0052 809 PRO 78 HG3 -0.0009 -0.0076 -0.0034 810 PRO 78 HD2 -0.0081 -0.0169 -0.0036 811 PRO 78 HD3 -0.0003 -0.0099 -0.0070 812 TYR 79 N -0.0123 -0.0053 0.0293 813 TYR 79 CA -0.0195 -0.0056 0.0307 814 TYR 79 C -0.0322 -0.0131 0.0422 815 TYR 79 O -0.0284 -0.0225 0.0535 816 TYR 79 CB -0.0065 -0.0076 0.0313 817 TYR 79 CG 0.0046 0.0007 0.0190 818 TYR 79 CD1 0.0191 0.0002 0.0174 819 TYR 79 CD2 0.0006 0.0092 0.0089 820 TYR 79 CE1 0.0291 0.0079 0.0061 821 TYR 79 CE2 0.0106 0.0169 -0.0024 822 TYR 79 CZ 0.0249 0.0162 -0.0038 823 TYR 79 OH 0.0349 0.0240 -0.0151 824 TYR 79 H -0.0151 0.0009 0.0218 825 TYR 79 HA -0.0263 0.0020 0.0222 826 TYR 79 HB2 0.0010 -0.0149 0.0392 827 TYR 79 HB3 -0.0128 -0.0080 0.0328 828 TYR 79 HD1 0.0223 -0.0063 0.0252 829 TYR 79 HD2 -0.0106 0.0097 0.0100 830 TYR 79 HE1 0.0403 0.0073 0.0052 831 TYR 79 HE2 0.0073 0.0234 -0.0102 832 TYR 79 HH 0.0277 0.0303 -0.0221 833 SER 80 N -0.0062 -0.0107 0.0118 834 SER 80 CA -0.0034 -0.0101 0.0093 835 SER 80 C -0.0025 -0.0103 0.0098 836 SER 80 O -0.0046 -0.0107 0.0115 837 SER 80 CB 0.0001 -0.0104 0.0101 838 SER 80 OG 0.0029 -0.0098 0.0076 839 SER 80 H -0.0055 -0.0115 0.0142 840 SER 80 HA -0.0043 -0.0094 0.0066 841 SER 80 HB2 -0.0007 -0.0104 0.0100 842 SER 80 HB3 0.0011 -0.0112 0.0127 843 SER 80 HG 0.0022 -0.0092 0.0055 844 GLN 81 N 0.0021 -0.0133 0.0029 845 GLN 81 CA 0.0008 -0.0133 0.0013 846 GLN 81 C 0.0000 -0.0124 -0.0012 847 GLN 81 O -0.0003 -0.0125 -0.0015 848 GLN 81 CB -0.0012 -0.0152 0.0021 849 GLN 81 CG -0.0023 -0.0152 0.0006 850 GLN 81 CD -0.0044 -0.0171 0.0012 851 GLN 81 OE1 -0.0056 -0.0183 0.0018 852 GLN 81 NE2 -0.0049 -0.0173 0.0010 853 GLN 81 H 0.0016 -0.0144 0.0041 854 GLN 81 HA 0.0019 -0.0125 0.0013 855 GLN 81 HB2 -0.0006 -0.0159 0.0039 856 GLN 81 HB3 -0.0024 -0.0159 0.0018 857 GLN 81 HG2 -0.0028 -0.0144 -0.0013 858 GLN 81 HG3 -0.0012 -0.0146 0.0010 859 GLN 81 HE21 -0.0039 -0.0162 0.0004 860 GLN 81 HE22 -0.0063 -0.0185 0.0013 861 GLU 82 N 0.0147 -0.0087 -0.0032 862 GLU 82 CA 0.0152 -0.0092 -0.0006 863 GLU 82 C 0.0122 -0.0070 0.0034 864 GLU 82 O 0.0119 -0.0069 0.0060 865 GLU 82 CB 0.0193 -0.0124 0.0010 866 GLU 82 CG 0.0201 -0.0131 0.0036 867 GLU 82 CD 0.0242 -0.0162 0.0048 868 GLU 82 OE1 0.0254 -0.0173 0.0083 869 GLU 82 OE2 0.0262 -0.0177 0.0023 870 GLU 82 H 0.0134 -0.0076 -0.0062 871 GLU 82 HA 0.0144 -0.0085 -0.0032 872 GLU 82 HB2 0.0212 -0.0137 -0.0021 873 GLU 82 HB3 0.0200 -0.0130 0.0034 874 GLU 82 HG2 0.0184 -0.0119 0.0069 875 GLU 82 HG3 0.0193 -0.0124 0.0013 876 GLU 83 N 0.0052 -0.0089 -0.0072 877 GLU 83 CA 0.0053 -0.0049 -0.0048 878 GLU 83 C 0.0088 0.0064 -0.0035 879 GLU 83 O 0.0133 0.0107 -0.0084 880 GLU 83 CB -0.0010 -0.0086 0.0038 881 GLU 83 CG -0.0015 -0.0048 0.0071 882 GLU 83 CD -0.0078 -0.0095 0.0148 883 GLU 83 OE1 -0.0113 -0.0068 0.0225 884 GLU 83 OE2 -0.0094 -0.0162 0.0132 885 GLU 83 H 0.0040 -0.0064 -0.0035 886 GLU 83 HA 0.0076 -0.0076 -0.0104 887 GLU 83 HB2 -0.0032 -0.0166 0.0024 888 GLU 83 HB3 -0.0034 -0.0063 0.0092 889 GLU 83 HG2 0.0001 0.0031 0.0093 890 GLU 83 HG3 0.0011 -0.0064 0.0014 891 ALA 84 N 0.0142 0.0024 -0.0120 892 ALA 84 CA 0.0319 0.0146 -0.0001 893 ALA 84 C 0.0287 0.0119 0.0026 894 ALA 84 O 0.0386 0.0180 0.0175 895 ALA 84 CB 0.0369 0.0161 0.0244 896 ALA 84 H 0.0030 -0.0067 -0.0017 897 ALA 84 HA 0.0439 0.0244 -0.0122 898 ALA 84 HB1 0.0498 0.0249 0.0329 899 ALA 84 HB2 0.0246 0.0060 0.0361 900 ALA 84 HB3 0.0404 0.0190 0.0214 901 GLU 85 N -0.0056 0.0034 -0.0145 902 GLU 85 CA -0.0017 0.0029 -0.0250 903 GLU 85 C 0.0057 -0.0023 -0.0216 904 GLU 85 O 0.0141 -0.0078 -0.0195 905 GLU 85 CB 0.0034 0.0012 -0.0327 906 GLU 85 CG 0.0061 0.0018 -0.0450 907 GLU 85 CD 0.0149 -0.0033 -0.0470 908 GLU 85 OE1 0.0236 -0.0084 -0.0484 909 GLU 85 OE2 0.0134 -0.0023 -0.0472 910 GLU 85 H -0.0024 0.0003 -0.0078 911 GLU 85 HA -0.0076 0.0073 -0.0292 912 GLU 85 HB2 -0.0015 0.0042 -0.0327 913 GLU 85 HB3 0.0102 -0.0036 -0.0291 914 GLU 85 HG2 -0.0006 0.0061 -0.0464 915 GLU 85 HG3 0.0068 0.0023 -0.0504 916 ARG 86 N -0.0126 0.0021 -0.0020 917 ARG 86 CA -0.0200 0.0128 -0.0016 918 ARG 86 C -0.0283 0.0114 0.0093 919 ARG 86 O -0.0271 0.0019 0.0152 920 ARG 86 CB -0.0152 0.0181 -0.0113 921 ARG 86 CG -0.0074 0.0091 -0.0136 922 ARG 86 CD -0.0112 0.0030 -0.0044 923 ARG 86 NE -0.0033 -0.0061 -0.0067 924 ARG 86 CZ -0.0039 -0.0145 0.0004 925 ARG 86 NH1 -0.0123 -0.0147 0.0105 926 ARG 86 NH2 0.0039 -0.0226 -0.0026 927 ARG 86 H -0.0094 -0.0054 -0.0001 928 ARG 86 HA -0.0231 0.0191 -0.0028 929 ARG 86 HB2 -0.0209 0.0247 -0.0096 930 ARG 86 HB3 -0.0120 0.0225 -0.0185 931 ARG 86 HG2 -0.0044 0.0138 -0.0208 932 ARG 86 HG3 -0.0017 0.0024 -0.0151 933 ARG 86 HD2 -0.0149 -0.0010 0.0031 934 ARG 86 HD3 -0.0163 0.0097 -0.0035 935 ARG 86 HE 0.0029 -0.0059 -0.0143 936 ARG 86 HH11 -0.0185 -0.0088 0.0133 937 ARG 86 HH12 -0.0129 -0.0209 0.0160 938 ARG 86 HH21 0.0104 -0.0227 -0.0102 939 ARG 86 HH22 0.0039 -0.0291 0.0024 940 ALA 87 N -0.0013 0.0039 -0.0035 941 ALA 87 CA 0.0089 0.0051 0.0113 942 ALA 87 C 0.0138 -0.0080 0.0094 943 ALA 87 O 0.0178 -0.0053 0.0166 944 ALA 87 CB 0.0049 0.0227 0.0173 945 ALA 87 H -0.0087 0.0088 -0.0105 946 ALA 87 HA 0.0155 0.0029 0.0189 947 ALA 87 HB1 -0.0019 0.0251 0.0096 948 ALA 87 HB2 0.0014 0.0319 0.0186 949 ALA 87 HB3 0.0123 0.0236 0.0281 950 ALA 88 N -0.0137 0.0037 0.0912 951 ALA 88 CA -0.0045 -0.0117 0.0670 952 ALA 88 C 0.0322 -0.0618 0.0729 953 ALA 88 O 0.0491 -0.0893 0.0359 954 ALA 88 CB -0.0180 0.0003 0.0067 955 ALA 88 H -0.0022 -0.0133 0.0819 956 ALA 88 HA -0.0146 0.0047 0.0898 957 ALA 88 HB1 -0.0078 -0.0164 -0.0166 958 ALA 88 HB2 -0.0443 0.0363 0.0038 959 ALA 88 HB3 -0.0111 -0.0110 -0.0096 960 GLY 89 N -0.0413 0.0361 -0.0435 961 GLY 89 CA -0.0031 0.0344 -0.0450 962 GLY 89 C 0.0748 0.0374 -0.0467 963 GLY 89 O 0.1027 -0.0068 -0.0572 964 GLY 89 H -0.0190 0.0523 -0.0407 965 GLY 89 HA2 -0.0160 -0.0126 -0.0549 966 GLY 89 HA3 -0.0178 0.0778 -0.0351 967 MET 90 N -0.0105 0.0055 -0.0085 968 MET 90 CA -0.0085 0.0052 -0.0038 969 MET 90 C -0.0068 0.0015 -0.0033 970 MET 90 O -0.0071 0.0022 -0.0034 971 MET 90 CB -0.0093 0.0098 -0.0012 972 MET 90 CG -0.0073 0.0102 0.0039 973 MET 90 SD -0.0049 0.0065 0.0062 974 MET 90 CE -0.0033 0.0083 0.0120 975 MET 90 H -0.0107 0.0049 -0.0097 976 MET 90 HA -0.0076 0.0042 -0.0025 977 MET 90 HB2 -0.0106 0.0123 -0.0021 978 MET 90 HB3 -0.0100 0.0105 -0.0023 979 MET 90 HG2 -0.0066 0.0095 0.0050 980 MET 90 HG3 -0.0081 0.0136 0.0052 981 MET 90 HE1 -0.0027 0.0079 0.0129 982 MET 90 HE2 -0.0017 0.0064 0.0139 983 MET 90 HE3 -0.0043 0.0118 0.0128 984 GLY 91 N 0.0160 -0.0603 0.0421 985 GLY 91 CA 0.0186 -0.0388 0.0225 986 GLY 91 C 0.0240 -0.0091 -0.0156 987 GLY 91 O 0.0228 0.0326 -0.0130 988 GLY 91 H 0.0137 -0.0413 0.0542 989 GLY 91 HA2 0.0210 -0.0645 0.0104 990 GLY 91 HA3 0.0144 -0.0180 0.0475 991 SER 92 N -0.0109 0.0059 -0.0371 992 SER 92 CA -0.0196 -0.0120 -0.0135 993 SER 92 C -0.0226 -0.0047 0.0246 994 SER 92 O -0.0154 0.0246 0.0377 995 SER 92 CB -0.0158 -0.0022 -0.0191 996 SER 92 OG -0.0130 -0.0093 -0.0551 997 SER 92 H -0.0034 0.0309 -0.0359 998 SER 92 HA -0.0270 -0.0389 -0.0196 999 SER 92 HB2 -0.0084 0.0247 -0.0129 1000 SER 92 HB3 -0.0226 -0.0167 -0.0022 1001 SER 92 HG -0.0128 -0.0140 -0.0676 1002 TYR 93 N 0.0065 -0.0117 -0.0025 1003 TYR 93 CA 0.0019 -0.0087 -0.0028 1004 TYR 93 C -0.0034 -0.0106 -0.0059 1005 TYR 93 O -0.0034 -0.0131 -0.0072 1006 TYR 93 CB 0.0016 -0.0026 0.0002 1007 TYR 93 CG -0.0025 0.0012 0.0004 1008 TYR 93 CD1 -0.0008 0.0030 0.0020 1009 TYR 93 CD2 -0.0080 0.0029 -0.0009 1010 TYR 93 CE1 -0.0045 0.0064 0.0023 1011 TYR 93 CE2 -0.0117 0.0063 -0.0006 1012 TYR 93 CZ -0.0099 0.0080 0.0010 1013 TYR 93 OH -0.0136 0.0114 0.0012 1014 TYR 93 H 0.0065 -0.0110 -0.0021 1015 TYR 93 HA 0.0026 -0.0094 -0.0029 1016 TYR 93 HB2 0.0057 -0.0015 0.0024 1017 TYR 93 HB3 0.0004 -0.0019 0.0001 1018 TYR 93 HD1 0.0035 0.0017 0.0031 1019 TYR 93 HD2 -0.0094 0.0015 -0.0021 1020 TYR 93 HE1 -0.0031 0.0077 0.0036 1021 TYR 93 HE2 -0.0159 0.0076 -0.0017 1022 TYR 93 HH -0.0169 0.0098 -0.0010 1023 VAL 94 N 0.0176 0.0067 0.0009 1024 VAL 94 CA 0.0137 0.0044 0.0005 1025 VAL 94 C 0.0131 0.0048 0.0006 1026 VAL 94 O 0.0121 0.0084 0.0013 1027 VAL 94 CB 0.0094 0.0056 0.0008 1028 VAL 94 CG1 0.0084 0.0105 0.0018 1029 VAL 94 CG2 0.0054 0.0030 0.0003 1030 VAL 94 H 0.0173 0.0090 0.0014 1031 VAL 94 HA 0.0144 0.0010 -0.0002 1032 VAL 94 HB 0.0099 0.0048 0.0006 1033 VAL 94 HG11 0.0054 0.0112 0.0020 1034 VAL 94 HG12 0.0080 0.0114 0.0020 1035 VAL 94 HG13 0.0111 0.0122 0.0021 1036 VAL 94 HG21 0.0049 0.0036 0.0004 1037 VAL 94 HG22 0.0025 0.0039 0.0005 1038 VAL 94 HG23 0.0060 -0.0004 -0.0004