1 ASP 28 N -0.0077 0.0559 0.0402 2 ASP 28 CA -0.0129 0.0363 -0.0002 3 ASP 28 C -0.0392 0.0657 -0.0306 4 ASP 28 O -0.0522 0.0993 -0.0199 5 ASP 28 CB -0.0027 0.0194 0.0042 6 ASP 28 CG -0.0072 -0.0018 -0.0362 7 ASP 28 OD1 0.0023 -0.0333 -0.0533 8 ASP 28 OD2 -0.0192 0.0114 -0.0503 9 ASP 28 H 0.0103 0.0366 0.0619 10 ASP 28 HA -0.0049 0.0122 -0.0113 11 ASP 28 HB2 0.0160 -0.0016 0.0258 12 ASP 28 HB3 -0.0105 0.0436 0.0162 13 PRO 29 N -0.0257 -0.0016 0.0255 14 PRO 29 CA -0.0555 -0.0063 0.0248 15 PRO 29 C -0.0674 0.0074 0.0459 16 PRO 29 O -0.0553 0.0142 0.0527 17 PRO 29 CB -0.0574 -0.0221 0.0037 18 PRO 29 CG -0.0302 -0.0283 -0.0100 19 PRO 29 CD -0.0090 -0.0132 0.0065 20 PRO 29 HA -0.0670 -0.0093 0.0230 21 PRO 29 HB2 -0.0610 -0.0185 0.0094 22 PRO 29 HB3 -0.0748 -0.0313 -0.0054 23 PRO 29 HG2 -0.0247 -0.0342 -0.0190 24 PRO 29 HG3 -0.0317 -0.0372 -0.0219 25 PRO 29 HD2 0.0007 -0.0078 0.0119 26 PRO 29 HD3 0.0064 -0.0168 -0.0014 27 ASN 30 N -0.0015 -0.0110 -0.0360 28 ASN 30 CA 0.0090 -0.0248 -0.0247 29 ASN 30 C 0.0071 -0.0304 -0.0253 30 ASN 30 O 0.0156 -0.0222 -0.0196 31 ASN 30 CB 0.0255 -0.0169 -0.0122 32 ASN 30 CG 0.0377 -0.0299 0.0003 33 ASN 30 OD1 0.0414 -0.0429 0.0057 34 ASN 30 ND2 0.0443 -0.0264 0.0052 35 ASN 30 H -0.0076 -0.0143 -0.0405 36 ASN 30 HA 0.0060 -0.0382 -0.0249 37 ASN 30 HB2 0.0261 -0.0151 -0.0121 38 ASN 30 HB3 0.0272 -0.0026 -0.0134 39 ASN 30 HD21 0.0411 -0.0155 0.0006 40 ASN 30 HD22 0.0520 -0.0348 0.0132 41 ALA 31 N 0.0109 -0.0110 -0.0049 42 ALA 31 CA 0.0104 -0.0089 -0.0069 43 ALA 31 C 0.0129 -0.0084 -0.0087 44 ALA 31 O 0.0145 -0.0087 -0.0091 45 ALA 31 CB 0.0095 -0.0085 -0.0069 46 ALA 31 H 0.0127 -0.0118 -0.0048 47 ALA 31 HA 0.0090 -0.0081 -0.0071 48 ALA 31 HB1 0.0091 -0.0070 -0.0084 49 ALA 31 HB2 0.0109 -0.0094 -0.0067 50 ALA 31 HB3 0.0077 -0.0089 -0.0056 51 GLU 32 N 0.0226 0.0252 0.0047 52 GLU 32 CA 0.0152 0.0139 0.0029 53 GLU 32 C 0.0157 0.0118 0.0045 54 GLU 32 O 0.0091 0.0045 0.0015 55 GLU 32 CB 0.0166 0.0033 0.0097 56 GLU 32 CG 0.0262 0.0010 0.0205 57 GLU 32 CD 0.0269 -0.0099 0.0267 58 GLU 32 OE1 0.0238 -0.0204 0.0289 59 GLU 32 OE2 0.0305 -0.0085 0.0296 60 GLU 32 H 0.0285 0.0244 0.0111 61 GLU 32 HA 0.0085 0.0151 -0.0045 62 GLU 32 HB2 0.0109 -0.0048 0.0080 63 GLU 32 HB3 0.0162 0.0052 0.0082 64 GLU 32 HG2 0.0320 0.0090 0.0224 65 GLU 32 HG3 0.0269 -0.0005 0.0220 66 PHE 33 N 0.0142 0.0070 0.0076 67 PHE 33 CA 0.0151 0.0027 0.0092 68 PHE 33 C 0.0154 0.0004 0.0104 69 PHE 33 O 0.0152 0.0021 0.0095 70 PHE 33 CB 0.0179 0.0008 0.0061 71 PHE 33 CG 0.0199 0.0015 0.0023 72 PHE 33 CD1 0.0215 -0.0011 0.0017 73 PHE 33 CD2 0.0203 0.0048 -0.0007 74 PHE 33 CE1 0.0233 -0.0005 -0.0017 75 PHE 33 CE2 0.0221 0.0054 -0.0041 76 PHE 33 CZ 0.0236 0.0028 -0.0047 77 PHE 33 H 0.0154 0.0079 0.0050 78 PHE 33 HA 0.0137 0.0024 0.0116 79 PHE 33 HB2 0.0187 -0.0025 0.0072 80 PHE 33 HB3 0.0176 0.0021 0.0056 81 PHE 33 HD1 0.0212 -0.0037 0.0040 82 PHE 33 HD2 0.0191 0.0068 -0.0003 83 PHE 33 HE1 0.0245 -0.0025 -0.0021 84 PHE 33 HE2 0.0224 0.0080 -0.0064 85 PHE 33 HZ 0.0250 0.0034 -0.0074 86 ASP 34 N 0.0068 0.0168 -0.0042 87 ASP 34 CA 0.0051 0.0193 -0.0049 88 ASP 34 C 0.0123 0.0186 -0.0045 89 ASP 34 O 0.0163 0.0131 -0.0030 90 ASP 34 CB -0.0013 0.0147 -0.0040 91 ASP 34 CG -0.0039 0.0177 -0.0048 92 ASP 34 OD1 0.0001 0.0167 -0.0044 93 ASP 34 OD2 -0.0099 0.0212 -0.0058 94 ASP 34 H 0.0072 0.0115 -0.0029 95 ASP 34 HA 0.0035 0.0250 -0.0064 96 ASP 34 HB2 -0.0061 0.0146 -0.0041 97 ASP 34 HB3 0.0007 0.0092 -0.0025 98 PRO 35 N 0.0113 -0.0077 -0.0070 99 PRO 35 CA 0.0039 -0.0159 -0.0147 100 PRO 35 C 0.0086 -0.0197 -0.0105 101 PRO 35 O 0.0031 -0.0271 -0.0163 102 PRO 35 CB 0.0021 -0.0305 -0.0175 103 PRO 35 CG 0.0131 -0.0338 -0.0073 104 PRO 35 CD 0.0175 -0.0184 -0.0019 105 PRO 35 HA -0.0040 -0.0096 -0.0217 106 PRO 35 HB2 0.0001 -0.0395 -0.0202 107 PRO 35 HB3 -0.0045 -0.0285 -0.0237 108 PRO 35 HG2 0.0187 -0.0401 -0.0024 109 PRO 35 HG3 0.0119 -0.0404 -0.0089 110 PRO 35 HD2 0.0263 -0.0184 0.0066 111 PRO 35 HD3 0.0156 -0.0154 -0.0034 112 ASP 36 N 0.0428 0.0566 -0.0649 113 ASP 36 CA 0.0519 0.0205 -0.0441 114 ASP 36 C 0.0483 -0.0209 -0.0150 115 ASP 36 O 0.0741 -0.0562 -0.0011 116 ASP 36 CB 0.0158 0.0284 -0.0358 117 ASP 36 CG 0.0222 -0.0089 -0.0133 118 ASP 36 OD1 0.0575 -0.0144 -0.0228 119 ASP 36 OD2 -0.0088 -0.0335 0.0148 120 ASP 36 H 0.0088 0.0689 -0.0603 121 ASP 36 HA 0.0885 0.0179 -0.0561 122 ASP 36 HB2 0.0211 0.0573 -0.0571 123 ASP 36 HB3 -0.0210 0.0337 -0.0256 124 LEU 37 N -0.0039 -0.0143 0.0062 125 LEU 37 CA -0.0046 -0.0211 0.0083 126 LEU 37 C 0.0029 -0.0229 0.0049 127 LEU 37 O 0.0062 -0.0168 0.0018 128 LEU 37 CB -0.0121 -0.0192 0.0116 129 LEU 37 CG -0.0204 -0.0200 0.0159 130 LEU 37 CD1 -0.0209 -0.0292 0.0184 131 LEU 37 CD2 -0.0225 -0.0133 0.0154 132 LEU 37 H -0.0053 -0.0082 0.0055 133 LEU 37 HA -0.0054 -0.0269 0.0100 134 LEU 37 HB2 -0.0121 -0.0126 0.0099 135 LEU 37 HB3 -0.0114 -0.0234 0.0122 136 LEU 37 HG -0.0249 -0.0190 0.0180 137 LEU 37 HD11 -0.0268 -0.0296 0.0214 138 LEU 37 HD12 -0.0164 -0.0306 0.0165 139 LEU 37 HD13 -0.0199 -0.0338 0.0190 140 LEU 37 HD21 -0.0283 -0.0142 0.0185 141 LEU 37 HD22 -0.0226 -0.0068 0.0139 142 LEU 37 HD23 -0.0180 -0.0142 0.0133 143 PRO 38 N -0.0028 -0.0220 0.0072 144 PRO 38 CA -0.0035 -0.0206 0.0031 145 PRO 38 C -0.0037 -0.0156 0.0027 146 PRO 38 O -0.0032 -0.0132 0.0057 147 PRO 38 CB -0.0034 -0.0222 0.0033 148 PRO 38 CG -0.0028 -0.0258 0.0065 149 PRO 38 CD -0.0023 -0.0246 0.0098 150 PRO 38 HA -0.0040 -0.0220 0.0003 151 PRO 38 HB2 -0.0033 -0.0195 0.0043 152 PRO 38 HB3 -0.0040 -0.0234 0.0001 153 PRO 38 HG2 -0.0025 -0.0260 0.0081 154 PRO 38 HG3 -0.0030 -0.0289 0.0050 155 PRO 38 HD2 -0.0019 -0.0226 0.0124 156 PRO 38 HD3 -0.0020 -0.0275 0.0111 157 GLY 39 N 0.0001 -0.0162 0.0138 158 GLY 39 CA 0.0017 -0.0116 0.0129 159 GLY 39 C 0.0028 -0.0095 0.0165 160 GLY 39 O 0.0042 -0.0056 0.0173 161 GLY 39 H -0.0007 -0.0181 0.0121 162 GLY 39 HA2 0.0016 -0.0109 0.0097 163 GLY 39 HA3 0.0021 -0.0104 0.0128 164 GLY 40 N 0.0064 -0.0091 0.0091 165 GLY 40 CA 0.0050 -0.0056 0.0109 166 GLY 40 C 0.0020 -0.0059 0.0136 167 GLY 40 O 0.0006 -0.0031 0.0152 168 GLY 40 H 0.0067 -0.0108 0.0087 169 GLY 40 HA2 0.0047 -0.0051 0.0112 170 GLY 40 HA3 0.0063 -0.0032 0.0101 171 GLY 41 N -0.0050 0.0047 0.0109 172 GLY 41 CA -0.0072 0.0039 0.0119 173 GLY 41 C -0.0050 0.0050 0.0112 174 GLY 41 O -0.0065 0.0050 0.0122 175 GLY 41 H -0.0046 0.0028 0.0092 176 GLY 41 HA2 -0.0086 0.0012 0.0108 177 GLY 41 HA3 -0.0090 0.0052 0.0142 178 LEU 42 N 0.0039 0.0035 0.0212 179 LEU 42 CA 0.0086 0.0058 0.0200 180 LEU 42 C 0.0104 0.0016 0.0147 181 LEU 42 O 0.0137 0.0027 0.0134 182 LEU 42 CB 0.0141 0.0098 0.0200 183 LEU 42 CG 0.0132 0.0144 0.0251 184 LEU 42 CD1 0.0190 0.0181 0.0245 185 LEU 42 CD2 0.0111 0.0175 0.0296 186 LEU 42 H 0.0052 0.0031 0.0199 187 LEU 42 HA 0.0072 0.0078 0.0230 188 LEU 42 HB2 0.0156 0.0078 0.0169 189 LEU 42 HB3 0.0176 0.0114 0.0191 190 LEU 42 HG 0.0099 0.0128 0.0259 191 LEU 42 HD11 0.0183 0.0213 0.0281 192 LEU 42 HD12 0.0225 0.0197 0.0235 193 LEU 42 HD13 0.0203 0.0159 0.0215 194 LEU 42 HD21 0.0143 0.0191 0.0288 195 LEU 42 HD22 0.0106 0.0208 0.0331 196 LEU 42 HD23 0.0068 0.0149 0.0302 197 HIS 43 N 0.0067 -0.0002 0.0129 198 HIS 43 CA 0.0074 -0.0015 0.0085 199 HIS 43 C 0.0032 0.0010 0.0026 200 HIS 43 O -0.0013 0.0051 0.0033 201 HIS 43 CB 0.0069 -0.0005 0.0123 202 HIS 43 CG 0.0105 -0.0024 0.0189 203 HIS 43 ND1 0.0156 -0.0068 0.0192 204 HIS 43 CD2 0.0096 -0.0005 0.0255 205 HIS 43 CE1 0.0177 -0.0075 0.0255 206 HIS 43 NE2 0.0141 -0.0038 0.0295 207 HIS 43 H 0.0032 0.0031 0.0144 208 HIS 43 HA 0.0111 -0.0051 0.0066 209 HIS 43 HB2 0.0029 0.0031 0.0133 210 HIS 43 HB3 0.0079 -0.0019 0.0090 211 HIS 43 HD1 0.0175 -0.0091 0.0152 212 HIS 43 HD2 0.0059 0.0029 0.0272 213 HIS 43 HE1 0.0216 -0.0107 0.0272 214 HIS 43 HE2 0.0149 -0.0036 0.0343 215 ARG 44 N -0.0112 0.0082 -0.0096 216 ARG 44 CA -0.0157 0.0108 -0.0167 217 ARG 44 C -0.0145 0.0052 -0.0224 218 ARG 44 O -0.0104 -0.0014 -0.0227 219 ARG 44 CB -0.0182 0.0117 -0.0212 220 ARG 44 CG -0.0186 0.0156 -0.0163 221 ARG 44 CD -0.0206 0.0154 -0.0216 222 ARG 44 NE -0.0209 0.0186 -0.0172 223 ARG 44 CZ -0.0231 0.0198 -0.0207 224 ARG 44 NH1 -0.0251 0.0178 -0.0286 225 ARG 44 NH2 -0.0233 0.0229 -0.0163 226 ARG 44 H -0.0083 0.0034 -0.0100 227 ARG 44 HA -0.0185 0.0160 -0.0153 228 ARG 44 HB2 -0.0160 0.0064 -0.0243 229 ARG 44 HB3 -0.0219 0.0148 -0.0257 230 ARG 44 HG2 -0.0212 0.0212 -0.0139 231 ARG 44 HG3 -0.0149 0.0127 -0.0116 232 ARG 44 HD2 -0.0182 0.0098 -0.0243 233 ARG 44 HD3 -0.0244 0.0184 -0.0262 234 ARG 44 HE -0.0194 0.0199 -0.0113 235 ARG 44 HH11 -0.0250 0.0155 -0.0321 236 ARG 44 HH12 -0.0267 0.0186 -0.0314 237 ARG 44 HH21 -0.0219 0.0244 -0.0103 238 ARG 44 HH22 -0.0249 0.0238 -0.0189 239 CYS 45 N -0.0049 0.0190 -0.0133 240 CYS 45 CA -0.0085 0.0142 -0.0093 241 CYS 45 C -0.0130 0.0151 -0.0111 242 CYS 45 O -0.0105 0.0166 -0.0120 243 CYS 45 CB -0.0038 0.0103 -0.0047 244 CYS 45 SG -0.0083 0.0043 0.0001 245 CYS 45 H -0.0011 0.0206 -0.0141 246 CYS 45 HA -0.0116 0.0130 -0.0088 247 CYS 45 HB2 -0.0013 0.0095 -0.0035 248 CYS 45 HB3 -0.0000 0.0118 -0.0055 249 LEU 46 N -0.0351 0.0223 -0.0015 250 LEU 46 CA -0.0403 0.0235 -0.0023 251 LEU 46 C -0.0336 0.0171 0.0118 252 LEU 46 O -0.0279 0.0169 0.0097 253 LEU 46 CB -0.0598 0.0270 -0.0025 254 LEU 46 CG -0.0676 0.0337 -0.0170 255 LEU 46 CD1 -0.0871 0.0365 -0.0153 256 LEU 46 CD2 -0.0609 0.0385 -0.0332 257 LEU 46 H -0.0440 0.0231 0.0006 258 LEU 46 HA -0.0346 0.0267 -0.0135 259 LEU 46 HB2 -0.0654 0.0238 0.0086 260 LEU 46 HB3 -0.0633 0.0277 -0.0028 261 LEU 46 HG -0.0635 0.0329 -0.0167 262 LEU 46 HD11 -0.0916 0.0332 -0.0043 263 LEU 46 HD12 -0.0924 0.0413 -0.0259 264 LEU 46 HD13 -0.0911 0.0369 -0.0144 265 LEU 46 HD21 -0.0472 0.0367 -0.0348 266 LEU 46 HD22 -0.0640 0.0391 -0.0333 267 LEU 46 HD23 -0.0671 0.0433 -0.0431 268 ALA 47 N -0.0305 0.0270 0.0296 269 ALA 47 CA -0.0347 0.0171 0.0308 270 ALA 47 C -0.0331 0.0136 0.0300 271 ALA 47 O -0.0378 0.0067 0.0316 272 ALA 47 CB -0.0308 0.0095 0.0289 273 ALA 47 H -0.0254 0.0277 0.0275 274 ALA 47 HA -0.0421 0.0176 0.0338 275 ALA 47 HB1 -0.0342 0.0023 0.0300 276 ALA 47 HB2 -0.0233 0.0088 0.0259 277 ALA 47 HB3 -0.0319 0.0120 0.0295 278 CYS 48 N -0.0191 0.0183 0.0051 279 CYS 48 CA -0.0110 0.0155 0.0035 280 CYS 48 C -0.0103 0.0218 -0.0019 281 CYS 48 O -0.0049 0.0198 -0.0029 282 CYS 48 CB -0.0017 0.0122 0.0017 283 CYS 48 SG -0.0017 0.0036 0.0087 284 CYS 48 H -0.0195 0.0229 0.0017 285 CYS 48 HA -0.0124 0.0105 0.0082 286 CYS 48 HB2 0.0002 0.0158 -0.0022 287 CYS 48 HB3 0.0040 0.0101 0.0007 288 ALA 49 N -0.0154 0.0285 -0.0194 289 ALA 49 CA -0.0125 0.0317 -0.0335 290 ALA 49 C -0.0060 0.0395 -0.0271 291 ALA 49 O -0.0000 0.0463 -0.0366 292 ALA 49 CB -0.0061 0.0391 -0.0471 293 ALA 49 H -0.0231 0.0194 -0.0175 294 ALA 49 HA -0.0201 0.0228 -0.0387 295 ALA 49 HB1 0.0015 0.0480 -0.0420 296 ALA 49 HB2 -0.0109 0.0334 -0.0514 297 ALA 49 HB3 -0.0044 0.0409 -0.0576 298 ARG 50 N -0.0211 0.0279 -0.0201 299 ARG 50 CA -0.0059 0.0358 -0.0157 300 ARG 50 C 0.0107 0.0447 -0.0108 301 ARG 50 O 0.0164 0.0370 -0.0115 302 ARG 50 CB 0.0030 0.0195 -0.0178 303 ARG 50 CG -0.0124 0.0106 -0.0225 304 ARG 50 CD -0.0024 -0.0053 -0.0243 305 ARG 50 NE -0.0171 -0.0145 -0.0289 306 ARG 50 CZ -0.0126 -0.0300 -0.0316 307 ARG 50 NH1 0.0064 -0.0376 -0.0300 308 ARG 50 NH2 -0.0270 -0.0377 -0.0359 309 ARG 50 H -0.0182 0.0156 -0.0224 310 ARG 50 HA -0.0131 0.0477 -0.0143 311 ARG 50 HB2 0.0099 0.0074 -0.0193 312 ARG 50 HB3 0.0149 0.0262 -0.0142 313 ARG 50 HG2 -0.0190 0.0226 -0.0210 314 ARG 50 HG3 -0.0243 0.0038 -0.0261 315 ARG 50 HD2 0.0047 -0.0170 -0.0257 316 ARG 50 HD3 0.0093 0.0018 -0.0207 317 ARG 50 HE -0.0311 -0.0084 -0.0300 318 ARG 50 HH11 0.0178 -0.0321 -0.0268 319 ARG 50 HH12 0.0105 -0.0490 -0.0319 320 ARG 50 HH21 -0.0415 -0.0322 -0.0372 321 ARG 50 HH22 -0.0240 -0.0494 -0.0380 322 TYR 51 N -0.0077 0.0026 -0.0065 323 TYR 51 CA -0.0073 0.0012 -0.0040 324 TYR 51 C -0.0070 0.0019 -0.0006 325 TYR 51 O -0.0073 0.0048 0.0002 326 TYR 51 CB -0.0075 0.0028 -0.0044 327 TYR 51 CG -0.0079 0.0024 -0.0078 328 TYR 51 CD1 -0.0085 0.0048 -0.0103 329 TYR 51 CD2 -0.0076 -0.0003 -0.0087 330 TYR 51 CE1 -0.0088 0.0045 -0.0134 331 TYR 51 CE2 -0.0079 -0.0007 -0.0119 332 TYR 51 CZ -0.0085 0.0017 -0.0142 333 TYR 51 OH -0.0089 0.0014 -0.0174 334 TYR 51 H -0.0081 0.0050 -0.0066 335 TYR 51 HA -0.0069 -0.0015 -0.0045 336 TYR 51 HB2 -0.0078 0.0054 -0.0038 337 TYR 51 HB3 -0.0071 0.0016 -0.0025 338 TYR 51 HD1 -0.0087 0.0069 -0.0097 339 TYR 51 HD2 -0.0071 -0.0023 -0.0068 340 TYR 51 HE1 -0.0093 0.0064 -0.0153 341 TYR 51 HE2 -0.0077 -0.0028 -0.0125 342 TYR 51 HH -0.0093 0.0036 -0.0180 343 PHE 52 N 0.0043 -0.0016 0.0054 344 PHE 52 CA 0.0012 -0.0006 0.0064 345 PHE 52 C -0.0000 -0.0034 0.0089 346 PHE 52 O 0.0020 -0.0059 0.0096 347 PHE 52 CB 0.0017 0.0011 0.0049 348 PHE 52 CG 0.0028 0.0039 0.0023 349 PHE 52 CD1 0.0062 0.0037 0.0008 350 PHE 52 CD2 0.0006 0.0068 0.0015 351 PHE 52 CE1 0.0073 0.0063 -0.0016 352 PHE 52 CE2 0.0017 0.0094 -0.0009 353 PHE 52 CZ 0.0050 0.0091 -0.0025 354 PHE 52 H 0.0063 -0.0028 0.0053 355 PHE 52 HA -0.0006 0.0009 0.0062 356 PHE 52 HB2 0.0035 -0.0005 0.0051 357 PHE 52 HB3 -0.0007 0.0017 0.0057 358 PHE 52 HD1 0.0080 0.0015 0.0014 359 PHE 52 HD2 -0.0020 0.0070 0.0027 360 PHE 52 HE1 0.0099 0.0061 -0.0028 361 PHE 52 HE2 -0.0001 0.0116 -0.0016 362 PHE 52 HZ 0.0059 0.0111 -0.0043 363 ILE 53 N -0.0102 -0.0243 0.0141 364 ILE 53 CA -0.0097 -0.0215 0.0051 365 ILE 53 C -0.0081 -0.0061 -0.0014 366 ILE 53 O -0.0074 0.0003 -0.0038 367 ILE 53 CB -0.0105 -0.0328 -0.0073 368 ILE 53 CG1 -0.0102 -0.0330 -0.0168 369 ILE 53 CG2 -0.0120 -0.0478 -0.0011 370 ILE 53 CD1 -0.0109 -0.0434 -0.0296 371 ILE 53 H -0.0109 -0.0322 0.0110 372 ILE 53 HA -0.0100 -0.0226 0.0120 373 ILE 53 HB -0.0100 -0.0295 -0.0139 374 ILE 53 HG12 -0.0107 -0.0359 -0.0101 375 ILE 53 HG13 -0.0091 -0.0221 -0.0211 376 ILE 53 HG21 -0.0125 -0.0511 0.0063 377 ILE 53 HG22 -0.0121 -0.0475 0.0048 378 ILE 53 HG23 -0.0125 -0.0556 -0.0099 379 ILE 53 HD11 -0.0104 -0.0404 -0.0368 380 ILE 53 HD12 -0.0107 -0.0430 -0.0355 381 ILE 53 HD13 -0.0120 -0.0543 -0.0255 382 ASP 54 N -0.0077 -0.0187 0.0059 383 ASP 54 CA -0.0099 -0.0135 0.0035 384 ASP 54 C -0.0056 -0.0040 0.0043 385 ASP 54 O -0.0032 -0.0008 0.0052 386 ASP 54 CB -0.0189 -0.0130 -0.0020 387 ASP 54 CG -0.0219 -0.0082 -0.0048 388 ASP 54 OD1 -0.0232 -0.0124 -0.0048 389 ASP 54 OD2 -0.0230 -0.0000 -0.0070 390 ASP 54 H -0.0062 -0.0156 0.0062 391 ASP 54 HA -0.0084 -0.0168 0.0051 392 ASP 54 HB2 -0.0218 -0.0198 -0.0025 393 ASP 54 HB3 -0.0204 -0.0096 -0.0036 394 SER 55 N 0.0009 -0.0045 0.0114 395 SER 55 CA 0.0048 0.0018 0.0106 396 SER 55 C 0.0020 0.0047 0.0044 397 SER 55 O 0.0041 0.0081 0.0040 398 SER 55 CB 0.0082 0.0062 0.0111 399 SER 55 OG 0.0120 0.0126 0.0101 400 SER 55 H 0.0006 -0.0051 0.0116 401 SER 55 HA 0.0073 0.0014 0.0143 402 SER 55 HB2 0.0104 0.0042 0.0157 403 SER 55 HB3 0.0058 0.0063 0.0078 404 SER 55 HG 0.0104 0.0151 0.0057 405 THR 56 N -0.0072 0.0004 0.0055 406 THR 56 CA -0.0113 0.0046 -0.0003 407 THR 56 C -0.0087 -0.0002 0.0036 408 THR 56 O -0.0080 0.0061 0.0039 409 THR 56 CB -0.0192 0.0010 -0.0101 410 THR 56 OG1 -0.0213 0.0042 -0.0133 411 THR 56 CG2 -0.0236 0.0066 -0.0166 412 THR 56 H -0.0098 -0.0047 0.0027 413 THR 56 HA -0.0105 0.0139 -0.0002 414 THR 56 HB -0.0198 -0.0083 -0.0100 415 THR 56 HG1 -0.0199 -0.0019 -0.0108 416 THR 56 HG21 -0.0291 0.0038 -0.0235 417 THR 56 HG22 -0.0228 0.0159 -0.0166 418 THR 56 HG23 -0.0220 0.0042 -0.0143 419 ASN 57 N -0.0119 0.0040 0.0017 420 ASN 57 CA -0.0096 0.0019 0.0038 421 ASN 57 C -0.0016 0.0063 0.0091 422 ASN 57 O 0.0000 0.0097 0.0097 423 ASN 57 CB -0.0103 -0.0088 0.0054 424 ASN 57 CG -0.0184 -0.0132 0.0001 425 ASN 57 OD1 -0.0204 -0.0139 -0.0013 426 ASN 57 ND2 -0.0229 -0.0162 -0.0028 427 ASN 57 H -0.0124 -0.0013 0.0024 428 ASN 57 HA -0.0135 0.0048 0.0004 429 ASN 57 HB2 -0.0088 -0.0119 0.0072 430 ASN 57 HB3 -0.0064 -0.0105 0.0087 431 ASN 57 HD21 -0.0213 -0.0156 -0.0016 432 ASN 57 HD22 -0.0281 -0.0190 -0.0062 433 LEU 58 N 0.0028 0.0054 0.0094 434 LEU 58 CA 0.0044 0.0054 0.0076 435 LEU 58 C 0.0053 0.0057 0.0059 436 LEU 58 O 0.0056 0.0067 0.0040 437 LEU 58 CB 0.0059 0.0037 0.0084 438 LEU 58 CG 0.0080 0.0032 0.0068 439 LEU 58 CD1 0.0095 0.0024 0.0062 440 LEU 58 CD2 0.0076 0.0046 0.0049 441 LEU 58 H 0.0029 0.0044 0.0108 442 LEU 58 HA 0.0037 0.0064 0.0068 443 LEU 58 HB2 0.0052 0.0037 0.0093 444 LEU 58 HB3 0.0063 0.0027 0.0096 445 LEU 58 HG 0.0087 0.0022 0.0076 446 LEU 58 HD11 0.0109 0.0021 0.0051 447 LEU 58 HD12 0.0089 0.0033 0.0054 448 LEU 58 HD13 0.0098 0.0013 0.0076 449 LEU 58 HD21 0.0070 0.0056 0.0040 450 LEU 58 HD22 0.0091 0.0042 0.0038 451 LEU 58 HD23 0.0066 0.0051 0.0054 452 LYS 59 N 0.0060 0.0050 0.0087 453 LYS 59 CA 0.0060 0.0067 0.0083 454 LYS 59 C 0.0058 0.0058 0.0075 455 LYS 59 O 0.0059 0.0066 0.0080 456 LYS 59 CB 0.0058 0.0085 0.0070 457 LYS 59 CG 0.0053 0.0080 0.0049 458 LYS 59 CD 0.0051 0.0098 0.0038 459 LYS 59 CE 0.0051 0.0116 0.0034 460 LYS 59 NZ 0.0048 0.0111 0.0021 461 LYS 59 H 0.0058 0.0050 0.0080 462 LYS 59 HA 0.0064 0.0073 0.0098 463 LYS 59 HB2 0.0058 0.0097 0.0069 464 LYS 59 HB3 0.0060 0.0091 0.0078 465 LYS 59 HG2 0.0052 0.0067 0.0049 466 LYS 59 HG3 0.0050 0.0074 0.0041 467 LYS 59 HD2 0.0053 0.0104 0.0047 468 LYS 59 HD3 0.0047 0.0093 0.0023 469 LYS 59 HE2 0.0054 0.0121 0.0049 470 LYS 59 HE3 0.0050 0.0129 0.0027 471 LYS 59 HZ1 0.0044 0.0107 0.0006 472 LYS 59 HZ2 0.0048 0.0123 0.0019 473 LYS 59 HZ3 0.0048 0.0098 0.0026 474 THR 60 N -0.0008 0.0028 0.0102 475 THR 60 CA -0.0026 0.0053 0.0095 476 THR 60 C -0.0010 0.0070 0.0083 477 THR 60 O -0.0014 0.0095 0.0072 478 THR 60 CB -0.0057 0.0048 0.0107 479 THR 60 OG1 -0.0071 0.0033 0.0118 480 THR 60 CG2 -0.0077 0.0075 0.0100 481 THR 60 H -0.0015 0.0010 0.0113 482 THR 60 HA -0.0029 0.0066 0.0090 483 THR 60 HB -0.0053 0.0035 0.0112 484 THR 60 HG1 -0.0062 0.0015 0.0124 485 THR 60 HG21 -0.0098 0.0070 0.0109 486 THR 60 HG22 -0.0080 0.0088 0.0095 487 THR 60 HG23 -0.0066 0.0085 0.0092 488 HIS 61 N 0.0063 0.0010 0.0044 489 HIS 61 CA 0.0052 0.0015 0.0030 490 HIS 61 C 0.0054 0.0003 0.0014 491 HIS 61 O 0.0046 0.0005 0.0001 492 HIS 61 CB 0.0045 0.0023 0.0033 493 HIS 61 CG 0.0037 0.0025 0.0017 494 HIS 61 ND1 0.0025 0.0033 0.0008 495 HIS 61 CD2 0.0039 0.0018 0.0008 496 HIS 61 CE1 0.0021 0.0031 -0.0006 497 HIS 61 NE2 0.0028 0.0022 -0.0005 498 HIS 61 H 0.0066 0.0011 0.0053 499 HIS 61 HA 0.0045 0.0021 0.0029 500 HIS 61 HB2 0.0040 0.0034 0.0040 501 HIS 61 HB3 0.0052 0.0019 0.0039 502 HIS 61 HD1 0.0021 0.0039 0.0010 503 HIS 61 HD2 0.0046 0.0011 0.0012 504 HIS 61 HE1 0.0013 0.0034 -0.0017 505 PHE 62 N 0.0133 0.0008 0.0027 506 PHE 62 CA 0.0130 -0.0006 0.0016 507 PHE 62 C 0.0138 -0.0021 0.0009 508 PHE 62 O 0.0138 -0.0034 -0.0001 509 PHE 62 CB 0.0137 -0.0006 0.0018 510 PHE 62 CG 0.0131 0.0009 0.0027 511 PHE 62 CD1 0.0112 0.0016 0.0025 512 PHE 62 CD2 0.0144 0.0016 0.0036 513 PHE 62 CE1 0.0107 0.0030 0.0033 514 PHE 62 CE2 0.0139 0.0030 0.0044 515 PHE 62 CZ 0.0121 0.0037 0.0043 516 PHE 62 H 0.0144 0.0013 0.0035 517 PHE 62 HA 0.0115 -0.0005 0.0011 518 PHE 62 HB2 0.0151 -0.0010 0.0021 519 PHE 62 HB3 0.0130 -0.0016 0.0010 520 PHE 62 HD1 0.0102 0.0010 0.0017 521 PHE 62 HD2 0.0158 0.0010 0.0038 522 PHE 62 HE1 0.0092 0.0035 0.0031 523 PHE 62 HE2 0.0150 0.0035 0.0052 524 PHE 62 HZ 0.0117 0.0048 0.0050 525 ARG 63 N 0.0097 0.0002 0.0002 526 ARG 63 CA 0.0071 0.0044 -0.0092 527 ARG 63 C 0.0016 0.0101 -0.0202 528 ARG 63 O -0.0017 0.0142 -0.0287 529 ARG 63 CB -0.0011 0.0047 -0.0039 530 ARG 63 CG 0.0053 -0.0005 0.0051 531 ARG 63 CD -0.0033 -0.0001 0.0103 532 ARG 63 NE -0.0075 0.0047 0.0007 533 ARG 63 CZ -0.0135 0.0056 0.0027 534 ARG 63 NH1 -0.0153 0.0018 0.0140 535 ARG 63 NH2 -0.0173 0.0102 -0.0067 536 ARG 63 H 0.0041 -0.0012 0.0079 537 ARG 63 HA 0.0162 0.0032 -0.0126 538 ARG 63 HB2 -0.0097 0.0053 0.0007 539 ARG 63 HB3 -0.0036 0.0082 -0.0114 540 ARG 63 HG2 0.0137 -0.0010 0.0003 541 ARG 63 HG3 0.0080 -0.0040 0.0125 542 ARG 63 HD2 0.0019 -0.0038 0.0164 543 ARG 63 HD3 -0.0115 0.0002 0.0154 544 ARG 63 HE -0.0060 0.0075 -0.0078 545 ARG 63 HH11 -0.0123 -0.0018 0.0213 546 ARG 63 HH12 -0.0198 0.0024 0.0157 547 ARG 63 HH21 -0.0159 0.0131 -0.0153 548 ARG 63 HH22 -0.0219 0.0111 -0.0057 549 SER 64 N 0.0022 -0.0071 -0.0202 550 SER 64 CA 0.0012 -0.0080 -0.0204 551 SER 64 C 0.0098 0.0003 -0.0194 552 SER 64 O 0.0161 0.0015 -0.0110 553 SER 64 CB -0.0007 -0.0160 -0.0110 554 SER 64 OG -0.0074 -0.0236 -0.0100 555 SER 64 H 0.0037 -0.0098 -0.0136 556 SER 64 HA -0.0038 -0.0088 -0.0275 557 SER 64 HB2 0.0050 -0.0145 -0.0041 558 SER 64 HB3 -0.0026 -0.0174 -0.0119 559 SER 64 HG -0.0128 -0.0257 -0.0155 560 LYS 65 N 0.0025 -0.0158 -0.0652 561 LYS 65 CA 0.0059 0.0163 -0.0455 562 LYS 65 C 0.0357 0.0143 -0.0176 563 LYS 65 O 0.0417 0.0310 -0.0032 564 LYS 65 CB -0.0102 0.0472 -0.0452 565 LYS 65 CG -0.0056 0.0436 -0.0426 566 LYS 65 CD 0.0235 0.0403 -0.0162 567 LYS 65 CE 0.0267 0.0368 -0.0149 568 LYS 65 NZ 0.0552 0.0315 0.0100 569 LYS 65 H -0.0064 -0.0169 -0.0744 570 LYS 65 HA -0.0033 0.0203 -0.0523 571 LYS 65 HB2 -0.0045 0.0689 -0.0286 572 LYS 65 HB3 -0.0318 0.0527 -0.0633 573 LYS 65 HG2 -0.0193 0.0658 -0.0446 574 LYS 65 HG3 -0.0106 0.0216 -0.0587 575 LYS 65 HD2 0.0376 0.0183 -0.0138 576 LYS 65 HD3 0.0279 0.0628 -0.0003 577 LYS 65 HE2 0.0136 0.0597 -0.0158 578 LYS 65 HE3 0.0204 0.0156 -0.0318 579 LYS 65 HZ1 0.0621 0.0515 0.0269 580 LYS 65 HZ2 0.0684 0.0092 0.0115 581 LYS 65 HZ3 0.0565 0.0299 0.0105 582 ASP 66 N 0.0233 0.0112 -0.0003 583 ASP 66 CA 0.0297 0.0113 0.0028 584 ASP 66 C 0.0312 0.0076 -0.0012 585 ASP 66 O 0.0340 0.0084 0.0011 586 ASP 66 CB 0.0365 0.0100 0.0045 587 ASP 66 CG 0.0430 0.0109 0.0088 588 ASP 66 OD1 0.0436 0.0152 0.0146 589 ASP 66 OD2 0.0477 0.0075 0.0065 590 ASP 66 H 0.0240 0.0097 -0.0019 591 ASP 66 HA 0.0285 0.0150 0.0071 592 ASP 66 HB2 0.0350 0.0122 0.0066 593 ASP 66 HB3 0.0381 0.0062 0.0002 594 HIS 67 N 0.0105 -0.0086 -0.0048 595 HIS 67 CA 0.0108 -0.0069 0.0011 596 HIS 67 C 0.0153 -0.0038 0.0023 597 HIS 67 O 0.0151 -0.0030 0.0058 598 HIS 67 CB 0.0109 -0.0064 0.0029 599 HIS 67 CG 0.0108 -0.0049 0.0087 600 HIS 67 ND1 0.0084 -0.0053 0.0125 601 HIS 67 CD2 0.0115 -0.0038 0.0110 602 HIS 67 CE1 0.0075 -0.0047 0.0170 603 HIS 67 NE2 0.0093 -0.0038 0.0163 604 HIS 67 H 0.0105 -0.0092 -0.0069 605 HIS 67 HA 0.0079 -0.0081 0.0033 606 HIS 67 HB2 0.0076 -0.0085 0.0023 607 HIS 67 HB3 0.0139 -0.0050 0.0009 608 HIS 67 HD1 0.0074 -0.0061 0.0120 609 HIS 67 HD2 0.0140 -0.0028 0.0090 610 HIS 67 HE1 0.0057 -0.0048 0.0208 611 LYS 68 N 0.0216 -0.0040 0.0007 612 LYS 68 CA 0.0219 -0.0030 0.0009 613 LYS 68 C 0.0214 -0.0034 0.0012 614 LYS 68 O 0.0212 -0.0027 0.0017 615 LYS 68 CB 0.0229 -0.0025 -0.0000 616 LYS 68 CG 0.0234 -0.0022 -0.0003 617 LYS 68 CD 0.0245 -0.0018 -0.0013 618 LYS 68 CE 0.0249 -0.0028 -0.0021 619 LYS 68 NZ 0.0259 -0.0024 -0.0030 620 LYS 68 H 0.0220 -0.0044 -0.0000 621 LYS 68 HA 0.0216 -0.0022 0.0015 622 LYS 68 HB2 0.0232 -0.0032 -0.0006 623 LYS 68 HB3 0.0232 -0.0017 0.0002 624 LYS 68 HG2 0.0232 -0.0015 0.0002 625 LYS 68 HG3 0.0232 -0.0030 -0.0005 626 LYS 68 HD2 0.0247 -0.0010 -0.0011 627 LYS 68 HD3 0.0248 -0.0015 -0.0015 628 LYS 68 HE2 0.0246 -0.0036 -0.0023 629 LYS 68 HE3 0.0246 -0.0030 -0.0019 630 LYS 68 HZ1 0.0262 -0.0017 -0.0029 631 LYS 68 HZ2 0.0261 -0.0032 -0.0036 632 LYS 68 HZ3 0.0262 -0.0022 -0.0032 633 LYS 69 N 0.0273 0.0035 0.0033 634 LYS 69 CA 0.0257 0.0009 -0.0060 635 LYS 69 C 0.0207 0.0030 -0.0068 636 LYS 69 O 0.0229 0.0003 -0.0114 637 LYS 69 CB 0.0203 0.0016 -0.0111 638 LYS 69 CG 0.0157 0.0005 -0.0203 639 LYS 69 CD 0.0100 0.0020 -0.0234 640 LYS 69 CE 0.0042 0.0014 -0.0324 641 LYS 69 NZ -0.0013 0.0032 -0.0343 642 LYS 69 H 0.0251 0.0050 0.0048 643 LYS 69 HA 0.0318 -0.0028 -0.0087 644 LYS 69 HB2 0.0246 -0.0006 -0.0119 645 LYS 69 HB3 0.0155 0.0052 -0.0069 646 LYS 69 HG2 0.0118 0.0026 -0.0194 647 LYS 69 HG3 0.0203 -0.0033 -0.0250 648 LYS 69 HD2 0.0143 -0.0002 -0.0241 649 LYS 69 HD3 0.0059 0.0056 -0.0182 650 LYS 69 HE2 0.0001 0.0034 -0.0321 651 LYS 69 HE3 0.0083 -0.0023 -0.0377 652 LYS 69 HZ1 -0.0056 0.0030 -0.0404 653 LYS 69 HZ2 -0.0051 0.0068 -0.0290 654 LYS 69 HZ3 0.0026 0.0014 -0.0345 655 ARG 70 N 0.0152 -0.0073 -0.0008 656 ARG 70 CA 0.0086 -0.0056 0.0031 657 ARG 70 C 0.0096 0.0006 0.0069 658 ARG 70 O 0.0053 0.0018 0.0095 659 ARG 70 CB 0.0049 -0.0053 0.0049 660 ARG 70 CG -0.0025 -0.0043 0.0088 661 ARG 70 CD -0.0070 -0.0095 0.0072 662 ARG 70 NE -0.0140 -0.0085 0.0109 663 ARG 70 CZ -0.0179 -0.0105 0.0113 664 ARG 70 NH1 -0.0155 -0.0136 0.0082 665 ARG 70 NH2 -0.0243 -0.0094 0.0148 666 ARG 70 H 0.0171 -0.0072 -0.0016 667 ARG 70 HA 0.0055 -0.0093 0.0020 668 ARG 70 HB2 0.0049 -0.0095 0.0021 669 ARG 70 HB3 0.0079 -0.0014 0.0063 670 ARG 70 HG2 -0.0047 -0.0043 0.0098 671 ARG 70 HG3 -0.0023 0.0001 0.0117 672 ARG 70 HD2 -0.0046 -0.0097 0.0061 673 ARG 70 HD3 -0.0073 -0.0140 0.0044 674 ARG 70 HE -0.0158 -0.0063 0.0132 675 ARG 70 HH11 -0.0108 -0.0146 0.0055 676 ARG 70 HH12 -0.0184 -0.0151 0.0084 677 ARG 70 HH21 -0.0262 -0.0071 0.0172 678 ARG 70 HH22 -0.0275 -0.0108 0.0153 679 LEU 71 N 0.0029 -0.0099 0.0013 680 LEU 71 CA 0.0027 -0.0090 0.0013 681 LEU 71 C 0.0020 -0.0106 0.0009 682 LEU 71 O 0.0008 -0.0101 0.0006 683 LEU 71 CB 0.0046 -0.0082 0.0020 684 LEU 71 CG 0.0055 -0.0065 0.0025 685 LEU 71 CD1 0.0073 -0.0057 0.0032 686 LEU 71 CD2 0.0040 -0.0048 0.0021 687 LEU 71 H 0.0042 -0.0101 0.0017 688 LEU 71 HA 0.0016 -0.0078 0.0011 689 LEU 71 HB2 0.0056 -0.0094 0.0023 690 LEU 71 HB3 0.0043 -0.0075 0.0020 691 LEU 71 HG 0.0059 -0.0073 0.0026 692 LEU 71 HD11 0.0069 -0.0050 0.0031 693 LEU 71 HD12 0.0083 -0.0070 0.0034 694 LEU 71 HD13 0.0079 -0.0046 0.0035 695 LEU 71 HD21 0.0028 -0.0054 0.0017 696 LEU 71 HD22 0.0036 -0.0041 0.0020 697 LEU 71 HD23 0.0047 -0.0037 0.0025 698 LYS 72 N -0.0048 -0.0100 -0.0009 699 LYS 72 CA -0.0073 -0.0083 0.0015 700 LYS 72 C -0.0049 -0.0079 0.0037 701 LYS 72 O -0.0064 -0.0073 0.0042 702 LYS 72 CB -0.0089 -0.0067 0.0042 703 LYS 72 CG -0.0116 -0.0048 0.0069 704 LYS 72 CD -0.0133 -0.0033 0.0093 705 LYS 72 CE -0.0161 -0.0014 0.0119 706 LYS 72 NZ -0.0179 0.0001 0.0141 707 LYS 72 H -0.0043 -0.0100 -0.0006 708 LYS 72 HA -0.0097 -0.0085 -0.0002 709 LYS 72 HB2 -0.0105 -0.0070 0.0026 710 LYS 72 HB3 -0.0064 -0.0065 0.0059 711 LYS 72 HG2 -0.0100 -0.0044 0.0087 712 LYS 72 HG3 -0.0141 -0.0049 0.0053 713 LYS 72 HD2 -0.0149 -0.0037 0.0074 714 LYS 72 HD3 -0.0109 -0.0031 0.0109 715 LYS 72 HE2 -0.0144 -0.0009 0.0138 716 LYS 72 HE3 -0.0184 -0.0015 0.0103 717 LYS 72 HZ1 -0.0157 0.0003 0.0157 718 LYS 72 HZ2 -0.0195 -0.0003 0.0124 719 LYS 72 HZ3 -0.0197 0.0014 0.0159 720 GLN 73 N 0.0091 -0.0012 0.0021 721 GLN 73 CA 0.0102 -0.0013 0.0037 722 GLN 73 C 0.0118 -0.0030 0.0089 723 GLN 73 O 0.0147 -0.0019 0.0108 724 GLN 73 CB 0.0065 -0.0032 0.0020 725 GLN 73 CG 0.0049 -0.0016 -0.0030 726 GLN 73 CD 0.0011 -0.0036 -0.0046 727 GLN 73 OE1 -0.0013 -0.0068 -0.0024 728 GLN 73 NE2 0.0006 -0.0019 -0.0084 729 GLN 73 H 0.0063 -0.0026 0.0006 730 GLN 73 HA 0.0126 0.0013 0.0024 731 GLN 73 HB2 0.0041 -0.0058 0.0033 732 GLN 73 HB3 0.0074 -0.0033 0.0034 733 GLN 73 HG2 0.0072 0.0009 -0.0043 734 GLN 73 HG3 0.0041 -0.0014 -0.0044 735 GLN 73 HE21 0.0026 0.0006 -0.0099 736 GLN 73 HE22 -0.0018 -0.0031 -0.0095 737 LEU 74 N 0.0046 -0.0066 0.0031 738 LEU 74 CA 0.0070 -0.0106 0.0079 739 LEU 74 C 0.0119 -0.0116 0.0104 740 LEU 74 O 0.0152 -0.0143 0.0141 741 LEU 74 CB 0.0016 -0.0145 0.0104 742 LEU 74 CG 0.0031 -0.0189 0.0153 743 LEU 74 CD1 0.0060 -0.0181 0.0154 744 LEU 74 CD2 -0.0028 -0.0225 0.0173 745 LEU 74 H 0.0006 -0.0070 0.0024 746 LEU 74 HA 0.0091 -0.0098 0.0078 747 LEU 74 HB2 -0.0019 -0.0135 0.0083 748 LEU 74 HB3 -0.0001 -0.0152 0.0105 749 LEU 74 HG 0.0063 -0.0201 0.0175 750 LEU 74 HD11 0.0069 -0.0212 0.0188 751 LEU 74 HD12 0.0029 -0.0169 0.0132 752 LEU 74 HD13 0.0103 -0.0157 0.0141 753 LEU 74 HD21 -0.0061 -0.0214 0.0152 754 LEU 74 HD22 -0.0016 -0.0255 0.0208 755 LEU 74 HD23 -0.0047 -0.0231 0.0174 756 SER 75 N 0.0049 -0.0137 0.0012 757 SER 75 CA 0.0001 -0.0240 -0.0004 758 SER 75 C -0.0029 -0.0308 -0.0017 759 SER 75 O -0.0052 -0.0398 -0.0053 760 SER 75 CB 0.0047 -0.0275 -0.0082 761 SER 75 OG 0.0000 -0.0372 -0.0095 762 SER 75 H 0.0025 -0.0091 0.0071 763 SER 75 HA -0.0050 -0.0240 0.0054 764 SER 75 HB2 0.0065 -0.0226 -0.0068 765 SER 75 HB3 0.0097 -0.0274 -0.0140 766 SER 75 HG 0.0008 -0.0371 -0.0103 767 VAL 76 N -0.0128 -0.0178 -0.0088 768 VAL 76 CA -0.0147 -0.0213 -0.0090 769 VAL 76 C -0.0198 -0.0256 -0.0063 770 VAL 76 O -0.0210 -0.0309 -0.0084 771 VAL 76 CB -0.0144 -0.0173 -0.0067 772 VAL 76 CG1 -0.0165 -0.0209 -0.0068 773 VAL 76 CG2 -0.0094 -0.0130 -0.0094 774 VAL 76 H -0.0119 -0.0135 -0.0071 775 VAL 76 HA -0.0125 -0.0237 -0.0129 776 VAL 76 HB -0.0165 -0.0148 -0.0029 777 VAL 76 HG11 -0.0163 -0.0180 -0.0052 778 VAL 76 HG12 -0.0145 -0.0235 -0.0107 779 VAL 76 HG13 -0.0201 -0.0238 -0.0047 780 VAL 76 HG21 -0.0093 -0.0102 -0.0077 781 VAL 76 HG22 -0.0081 -0.0103 -0.0092 782 VAL 76 HG23 -0.0072 -0.0154 -0.0133 783 GLU 77 N -0.0058 -0.0193 -0.0071 784 GLU 77 CA -0.0093 -0.0215 -0.0052 785 GLU 77 C -0.0112 -0.0248 0.0022 786 GLU 77 O -0.0070 -0.0247 0.0073 787 GLU 77 CB -0.0055 -0.0195 -0.0062 788 GLU 77 CG 0.0018 -0.0175 -0.0028 789 GLU 77 CD 0.0052 -0.0157 -0.0036 790 GLU 77 OE1 0.0069 -0.0130 -0.0093 791 GLU 77 OE2 0.0061 -0.0170 0.0015 792 GLU 77 H -0.0026 -0.0191 -0.0035 793 GLU 77 HA -0.0140 -0.0224 -0.0087 794 GLU 77 HB2 -0.0080 -0.0214 -0.0038 795 GLU 77 HB3 -0.0056 -0.0178 -0.0117 796 GLU 77 HG2 0.0046 -0.0155 -0.0051 797 GLU 77 HG3 0.0019 -0.0192 0.0027 798 PRO 78 N -0.0169 -0.0203 0.0070 799 PRO 78 CA -0.0202 -0.0177 0.0124 800 PRO 78 C -0.0269 -0.0193 0.0154 801 PRO 78 O -0.0306 -0.0240 0.0126 802 PRO 78 CB -0.0209 -0.0198 0.0105 803 PRO 78 CG -0.0162 -0.0221 0.0044 804 PRO 78 CD -0.0158 -0.0240 0.0019 805 PRO 78 HA -0.0175 -0.0135 0.0153 806 PRO 78 HB2 -0.0259 -0.0228 0.0106 807 PRO 78 HB3 -0.0198 -0.0167 0.0133 808 PRO 78 HG2 -0.0179 -0.0254 0.0020 809 PRO 78 HG3 -0.0115 -0.0191 0.0045 810 PRO 78 HD2 -0.0195 -0.0280 0.0001 811 PRO 78 HD3 -0.0110 -0.0238 -0.0012 812 TYR 79 N -0.0217 -0.0019 0.0190 813 TYR 79 CA -0.0349 -0.0022 0.0207 814 TYR 79 C -0.0546 -0.0155 0.0368 815 TYR 79 O -0.0494 -0.0311 0.0527 816 TYR 79 CB -0.0170 -0.0046 0.0214 817 TYR 79 CG 0.0001 0.0101 0.0041 818 TYR 79 CD1 0.0234 0.0095 0.0022 819 TYR 79 CD2 -0.0073 0.0246 -0.0104 820 TYR 79 CE1 0.0388 0.0229 -0.0135 821 TYR 79 CE2 0.0080 0.0381 -0.0263 822 TYR 79 CZ 0.0311 0.0372 -0.0278 823 TYR 79 OH 0.0465 0.0509 -0.0438 824 TYR 79 H -0.0248 0.0084 0.0085 825 TYR 79 HA -0.0453 0.0105 0.0085 826 TYR 79 HB2 -0.0053 -0.0167 0.0328 827 TYR 79 HB3 -0.0283 -0.0052 0.0232 828 TYR 79 HD1 0.0293 -0.0018 0.0135 829 TYR 79 HD2 -0.0254 0.0252 -0.0092 830 TYR 79 HE1 0.0569 0.0221 -0.0146 831 TYR 79 HE2 0.0019 0.0493 -0.0375 832 TYR 79 HH 0.0356 0.0614 -0.0537 833 SER 80 N -0.0059 -0.0066 0.0127 834 SER 80 CA -0.0006 -0.0070 0.0069 835 SER 80 C 0.0001 -0.0070 0.0061 836 SER 80 O -0.0045 -0.0064 0.0091 837 SER 80 CB 0.0068 -0.0090 0.0091 838 SER 80 OG 0.0124 -0.0094 0.0033 839 SER 80 H -0.0044 -0.0078 0.0178 840 SER 80 HA -0.0023 -0.0058 0.0017 841 SER 80 HB2 0.0060 -0.0089 0.0100 842 SER 80 HB3 0.0087 -0.0102 0.0141 843 SER 80 HG 0.0113 -0.0086 -0.0003 844 GLN 81 N 0.0202 -0.0065 0.0025 845 GLN 81 CA 0.0179 -0.0064 0.0035 846 GLN 81 C 0.0175 -0.0039 0.0051 847 GLN 81 O 0.0194 -0.0023 0.0053 848 GLN 81 CB 0.0180 -0.0073 0.0029 849 GLN 81 CG 0.0155 -0.0075 0.0038 850 GLN 81 CD 0.0155 -0.0082 0.0034 851 GLN 81 OE1 0.0174 -0.0076 0.0030 852 GLN 81 NE2 0.0134 -0.0094 0.0034 853 GLN 81 H 0.0217 -0.0068 0.0018 854 GLN 81 HA 0.0164 -0.0074 0.0035 855 GLN 81 HB2 0.0185 -0.0089 0.0018 856 GLN 81 HB3 0.0193 -0.0061 0.0031 857 GLN 81 HG2 0.0149 -0.0058 0.0049 858 GLN 81 HG3 0.0142 -0.0088 0.0035 859 GLN 81 HE21 0.0120 -0.0098 0.0037 860 GLN 81 HE22 0.0134 -0.0098 0.0032 861 GLU 82 N 0.0124 -0.0015 0.0061 862 GLU 82 CA 0.0108 0.0020 0.0049 863 GLU 82 C 0.0128 0.0062 0.0057 864 GLU 82 O 0.0119 0.0096 0.0049 865 GLU 82 CB 0.0107 0.0010 0.0049 866 GLU 82 CG 0.0091 0.0043 0.0036 867 GLU 82 CD 0.0089 0.0030 0.0036 868 GLU 82 OE1 0.0118 0.0033 0.0053 869 GLU 82 OE2 0.0060 0.0017 0.0020 870 GLU 82 H 0.0110 -0.0024 0.0053 871 GLU 82 HA 0.0081 0.0022 0.0032 872 GLU 82 HB2 0.0092 -0.0019 0.0042 873 GLU 82 HB3 0.0135 0.0006 0.0066 874 GLU 82 HG2 0.0106 0.0073 0.0043 875 GLU 82 HG3 0.0063 0.0048 0.0019 876 GLU 83 N -0.0023 0.0106 0.0116 877 GLU 83 CA -0.0027 0.0103 0.0117 878 GLU 83 C -0.0002 0.0151 0.0128 879 GLU 83 O 0.0031 0.0154 0.0109 880 GLU 83 CB -0.0077 0.0087 0.0139 881 GLU 83 CG -0.0085 0.0083 0.0141 882 GLU 83 CD -0.0135 0.0061 0.0160 883 GLU 83 OE1 -0.0163 0.0086 0.0190 884 GLU 83 OE2 -0.0146 0.0019 0.0144 885 GLU 83 H -0.0033 0.0132 0.0136 886 GLU 83 HA -0.0009 0.0077 0.0092 887 GLU 83 HB2 -0.0092 0.0052 0.0129 888 GLU 83 HB3 -0.0096 0.0112 0.0163 889 GLU 83 HG2 -0.0074 0.0118 0.0154 890 GLU 83 HG3 -0.0064 0.0060 0.0117 891 ALA 84 N 0.0046 0.0081 0.0069 892 ALA 84 CA 0.0184 0.0137 0.0163 893 ALA 84 C 0.0199 0.0160 0.0246 894 ALA 84 O 0.0276 0.0206 0.0362 895 ALA 84 CB 0.0175 0.0161 0.0277 896 ALA 84 H -0.0055 0.0068 0.0122 897 ALA 84 HA 0.0283 0.0144 0.0084 898 ALA 84 HB1 0.0275 0.0202 0.0346 899 ALA 84 HB2 0.0071 0.0152 0.0352 900 ALA 84 HB3 0.0174 0.0146 0.0213 901 GLU 85 N 0.0115 0.0087 0.0121 902 GLU 85 CA 0.0045 0.0033 0.0087 903 GLU 85 C -0.0001 0.0071 0.0072 904 GLU 85 O 0.0022 0.0049 0.0079 905 GLU 85 CB 0.0073 -0.0066 0.0089 906 GLU 85 CG 0.0004 -0.0133 0.0054 907 GLU 85 CD -0.0057 -0.0134 0.0029 908 GLU 85 OE1 -0.0039 -0.0184 0.0032 909 GLU 85 OE2 -0.0123 -0.0087 0.0007 910 GLU 85 H 0.0124 0.0129 0.0128 911 GLU 85 HA 0.0005 0.0042 0.0071 912 GLU 85 HB2 0.0121 -0.0084 0.0107 913 GLU 85 HB3 0.0101 -0.0074 0.0100 914 GLU 85 HG2 -0.0030 -0.0102 0.0043 915 GLU 85 HG3 0.0030 -0.0199 0.0059 916 ARG 86 N -0.0111 0.0134 0.0140 917 ARG 86 CA -0.0180 0.0185 0.0091 918 ARG 86 C -0.0242 0.0178 0.0110 919 ARG 86 O -0.0215 0.0149 0.0140 920 ARG 86 CB -0.0136 0.0245 0.0013 921 ARG 86 CG -0.0048 0.0243 -0.0001 922 ARG 86 CD -0.0062 0.0233 0.0014 923 ARG 86 NE 0.0025 0.0227 0.0006 924 ARG 86 CZ 0.0039 0.0207 0.0027 925 ARG 86 NH1 -0.0030 0.0193 0.0056 926 ARG 86 NH2 0.0123 0.0201 0.0020 927 ARG 86 H -0.0069 0.0120 0.0150 928 ARG 86 HA -0.0223 0.0188 0.0096 929 ARG 86 HB2 -0.0186 0.0280 -0.0020 930 ARG 86 HB3 -0.0120 0.0257 -0.0004 931 ARG 86 HG2 -0.0022 0.0286 -0.0056 932 ARG 86 HG3 0.0003 0.0208 0.0032 933 ARG 86 HD2 -0.0094 0.0193 0.0067 934 ARG 86 HD3 -0.0107 0.0271 -0.0024 935 ARG 86 HE 0.0077 0.0238 -0.0017 936 ARG 86 HH11 -0.0095 0.0196 0.0063 937 ARG 86 HH12 -0.0021 0.0178 0.0072 938 ARG 86 HH21 0.0177 0.0211 -0.0002 939 ARG 86 HH22 0.0137 0.0185 0.0036 940 ALA 87 N -0.0163 0.0142 0.0109 941 ALA 87 CA -0.0311 0.0141 0.0094 942 ALA 87 C -0.0457 0.0324 0.0536 943 ALA 87 O -0.0381 0.0381 0.0681 944 ALA 87 CB 0.0084 0.0071 -0.0050 945 ALA 87 H 0.0139 0.0184 0.0232 946 ALA 87 HA -0.0593 0.0059 -0.0126 947 ALA 87 HB1 0.0368 0.0150 0.0166 948 ALA 87 HB2 0.0184 -0.0059 -0.0363 949 ALA 87 HB3 -0.0021 0.0073 -0.0052 950 ALA 88 N 0.0433 0.0032 0.0082 951 ALA 88 CA 0.0505 -0.0150 -0.0061 952 ALA 88 C 0.0708 -0.0250 -0.0058 953 ALA 88 O 0.0693 -0.0329 -0.0143 954 ALA 88 CB 0.0319 -0.0231 -0.0237 955 ALA 88 H 0.0421 0.0058 0.0102 956 ALA 88 HA 0.0551 -0.0155 -0.0043 957 ALA 88 HB1 0.0273 -0.0228 -0.0258 958 ALA 88 HB2 0.0176 -0.0156 -0.0236 959 ALA 88 HB3 0.0378 -0.0367 -0.0342 960 GLY 89 N -0.0660 0.0003 0.0131 961 GLY 89 CA -0.0356 -0.0072 0.0139 962 GLY 89 C -0.0058 -0.0064 0.0215 963 GLY 89 O -0.0026 -0.0198 0.0110 964 GLY 89 H -0.0661 0.0099 0.0211 965 GLY 89 HA2 -0.0353 -0.0268 -0.0026 966 GLY 89 HA3 -0.0344 0.0062 0.0254 967 MET 90 N 0.0012 -0.0110 0.0009 968 MET 90 CA -0.0015 -0.0109 -0.0027 969 MET 90 C -0.0045 -0.0078 -0.0005 970 MET 90 O -0.0033 -0.0075 0.0018 971 MET 90 CB 0.0015 -0.0142 -0.0052 972 MET 90 CG -0.0009 -0.0148 -0.0097 973 MET 90 SD -0.0048 -0.0116 -0.0088 974 MET 90 CE -0.0064 -0.0134 -0.0147 975 MET 90 H 0.0008 -0.0110 0.0003 976 MET 90 HA -0.0036 -0.0109 -0.0054 977 MET 90 HB2 0.0039 -0.0163 -0.0062 978 MET 90 HB3 0.0033 -0.0141 -0.0025 979 MET 90 HG2 -0.0027 -0.0149 -0.0124 980 MET 90 HG3 0.0016 -0.0172 -0.0112 981 MET 90 HE1 -0.0079 -0.0137 -0.0173 982 MET 90 HE2 -0.0089 -0.0118 -0.0146 983 MET 90 HE3 -0.0035 -0.0159 -0.0156 984 GLY 91 N -0.0051 -0.0060 -0.0148 985 GLY 91 CA -0.0129 0.0045 -0.0128 986 GLY 91 C -0.0283 -0.0087 -0.0055 987 GLY 91 O -0.0254 -0.0174 -0.0058 988 GLY 91 H 0.0011 -0.0203 -0.0157 989 GLY 91 HA2 -0.0194 0.0198 -0.0118 990 GLY 91 HA3 -0.0010 0.0066 -0.0176 991 SER 92 N 0.0013 -0.0116 -0.0046 992 SER 92 CA -0.0012 -0.0172 0.0031 993 SER 92 C -0.0014 -0.0153 0.0161 994 SER 92 O 0.0016 -0.0057 0.0206 995 SER 92 CB 0.0004 -0.0132 0.0006 996 SER 92 OG 0.0005 -0.0151 -0.0117 997 SER 92 H 0.0041 -0.0033 -0.0041 998 SER 92 HA -0.0042 -0.0262 0.0010 999 SER 92 HB2 0.0034 -0.0042 0.0027 1000 SER 92 HB3 -0.0016 -0.0177 0.0061 1001 SER 92 HG 0.0001 -0.0170 -0.0156 1002 TYR 93 N 0.0051 -0.0067 0.0069 1003 TYR 93 CA 0.0016 -0.0044 0.0052 1004 TYR 93 C -0.0015 -0.0056 0.0035 1005 TYR 93 O -0.0004 -0.0073 0.0040 1006 TYR 93 CB 0.0024 0.0006 0.0057 1007 TYR 93 CG -0.0008 0.0036 0.0041 1008 TYR 93 CD1 -0.0010 0.0046 0.0040 1009 TYR 93 CD2 -0.0037 0.0052 0.0026 1010 TYR 93 CE1 -0.0039 0.0072 0.0026 1011 TYR 93 CE2 -0.0067 0.0079 0.0012 1012 TYR 93 CZ -0.0067 0.0089 0.0011 1013 TYR 93 OH -0.0097 0.0115 -0.0003 1014 TYR 93 H 0.0064 -0.0059 0.0076 1015 TYR 93 HA 0.0008 -0.0053 0.0047 1016 TYR 93 HB2 0.0050 0.0013 0.0071 1017 TYR 93 HB3 0.0029 0.0016 0.0060 1018 TYR 93 HD1 0.0013 0.0033 0.0052 1019 TYR 93 HD2 -0.0036 0.0044 0.0026 1020 TYR 93 HE1 -0.0040 0.0080 0.0026 1021 TYR 93 HE2 -0.0089 0.0092 0.0000 1022 TYR 93 HH -0.0121 0.0103 -0.0016 1023 VAL 94 N 0.0204 0.0086 -0.0002 1024 VAL 94 CA 0.0150 0.0050 -0.0001 1025 VAL 94 C 0.0142 0.0046 -0.0000 1026 VAL 94 O 0.0128 0.0091 0.0011 1027 VAL 94 CB 0.0092 0.0071 0.0013 1028 VAL 94 CG1 0.0079 0.0136 0.0029 1029 VAL 94 CG2 0.0038 0.0031 0.0013 1030 VAL 94 H 0.0199 0.0122 0.0007 1031 VAL 94 HA 0.0160 0.0006 -0.0012 1032 VAL 94 HB 0.0100 0.0067 0.0011 1033 VAL 94 HG11 0.0038 0.0148 0.0037 1034 VAL 94 HG12 0.0072 0.0142 0.0031 1035 VAL 94 HG13 0.0116 0.0164 0.0029 1036 VAL 94 HG21 0.0030 0.0032 0.0014 1037 VAL 94 HG22 -0.0002 0.0046 0.0022 1038 VAL 94 HG23 0.0046 -0.0015 0.0002