1 ASP 28 N 0.0618 -0.0391 -0.0277 2 ASP 28 CA 0.0407 -0.0363 -0.0107 3 ASP 28 C 0.0270 -0.0516 0.0027 4 ASP 28 O 0.0279 -0.0492 0.0016 5 ASP 28 CB 0.0327 -0.0069 -0.0080 6 ASP 28 CG 0.0110 -0.0023 0.0093 7 ASP 28 OD1 0.0076 -0.0077 0.0128 8 ASP 28 OD2 -0.0027 0.0081 0.0192 9 ASP 28 H 0.0716 -0.0284 -0.0372 10 ASP 28 HA 0.0410 -0.0444 -0.0098 11 ASP 28 HB2 0.0426 0.0037 -0.0176 12 ASP 28 HB3 0.0330 0.0012 -0.0093 13 PRO 29 N -0.0186 -0.0221 -0.0421 14 PRO 29 CA 0.0655 -0.0119 -0.0370 15 PRO 29 C 0.1079 -0.0593 -0.0824 16 PRO 29 O 0.0867 -0.0760 -0.0966 17 PRO 29 CB 0.0789 0.0450 0.0143 18 PRO 29 CG 0.0019 0.0722 0.0430 19 PRO 29 CD -0.0581 0.0240 0.0020 20 PRO 29 HA 0.0863 -0.0077 -0.0342 21 PRO 29 HB2 0.1007 0.0354 0.0045 22 PRO 29 HB3 0.1219 0.0713 0.0362 23 PRO 29 HG2 -0.0034 0.0969 0.0658 24 PRO 29 HG3 -0.0041 0.0996 0.0683 25 PRO 29 HD2 -0.0739 0.0110 -0.0091 26 PRO 29 HD3 -0.1084 0.0376 0.0169 27 ASN 30 N -0.0100 0.0005 0.0001 28 ASN 30 CA -0.0250 0.0153 0.0121 29 ASN 30 C -0.0017 0.0186 0.0438 30 ASN 30 O 0.0162 0.0070 0.0409 31 ASN 30 CB -0.0368 0.0064 -0.0177 32 ASN 30 CG -0.0525 0.0203 -0.0079 33 ASN 30 OD1 -0.0829 0.0368 -0.0091 34 ASN 30 ND2 -0.0325 0.0135 0.0007 35 ASN 30 H -0.0234 0.0062 -0.0035 36 ASN 30 HA -0.0472 0.0320 0.0204 37 ASN 30 HB2 -0.0554 0.0066 -0.0374 38 ASN 30 HB3 -0.0144 -0.0112 -0.0271 39 ASN 30 HD21 -0.0084 -0.0002 0.0005 40 ASN 30 HD22 -0.0421 0.0224 0.0074 41 ALA 31 N -0.0110 -0.0103 0.0387 42 ALA 31 CA -0.0054 -0.0094 0.0481 43 ALA 31 C -0.0030 0.0056 0.0613 44 ALA 31 O 0.0051 0.0046 0.0735 45 ALA 31 CB 0.0050 -0.0255 0.0542 46 ALA 31 H -0.0112 -0.0032 0.0427 47 ALA 31 HA -0.0105 -0.0078 0.0410 48 ALA 31 HB1 0.0087 -0.0246 0.0608 49 ALA 31 HB2 0.0102 -0.0272 0.0615 50 ALA 31 HB3 0.0033 -0.0361 0.0448 51 GLU 32 N -0.0161 0.0193 0.0238 52 GLU 32 CA -0.0110 0.0135 0.0123 53 GLU 32 C -0.0037 0.0444 0.0098 54 GLU 32 O 0.0045 0.0468 -0.0046 55 GLU 32 CB -0.0248 -0.0062 0.0307 56 GLU 32 CG -0.0380 0.0083 0.0604 57 GLU 32 CD -0.0509 -0.0120 0.0771 58 GLU 32 OE1 -0.0500 -0.0090 0.0766 59 GLU 32 OE2 -0.0620 -0.0314 0.0907 60 GLU 32 H -0.0273 0.0174 0.0438 61 GLU 32 HA -0.0026 0.0010 -0.0077 62 GLU 32 HB2 -0.0204 -0.0103 0.0212 63 GLU 32 HB3 -0.0295 -0.0277 0.0317 64 GLU 32 HG2 -0.0428 0.0118 0.0706 65 GLU 32 HG3 -0.0332 0.0304 0.0595 66 PHE 33 N -0.0086 0.0239 0.0075 67 PHE 33 CA -0.0118 0.0302 0.0033 68 PHE 33 C -0.0120 0.0261 0.0059 69 PHE 33 O -0.0112 0.0181 0.0110 70 PHE 33 CB -0.0226 0.0335 0.0007 71 PHE 33 CG -0.0306 0.0261 0.0050 72 PHE 33 CD1 -0.0359 0.0225 0.0070 73 PHE 33 CD2 -0.0326 0.0228 0.0070 74 PHE 33 CE1 -0.0430 0.0157 0.0109 75 PHE 33 CE2 -0.0398 0.0161 0.0109 76 PHE 33 CZ -0.0450 0.0125 0.0129 77 PHE 33 H -0.0134 0.0192 0.0102 78 PHE 33 HA -0.0064 0.0358 0.0001 79 PHE 33 HB2 -0.0254 0.0376 -0.0020 80 PHE 33 HB3 -0.0221 0.0372 -0.0016 81 PHE 33 HD1 -0.0344 0.0250 0.0055 82 PHE 33 HD2 -0.0286 0.0256 0.0054 83 PHE 33 HE1 -0.0471 0.0130 0.0125 84 PHE 33 HE2 -0.0413 0.0136 0.0124 85 PHE 33 HZ -0.0505 0.0072 0.0159 86 ASP 34 N -0.0198 0.0038 -0.0063 87 ASP 34 CA -0.0199 -0.0007 -0.0040 88 ASP 34 C -0.0179 -0.0056 -0.0082 89 ASP 34 O -0.0169 -0.0071 -0.0105 90 ASP 34 CB -0.0213 -0.0030 0.0016 91 ASP 34 CG -0.0216 -0.0073 0.0044 92 ASP 34 OD1 -0.0204 -0.0122 0.0027 93 ASP 34 OD2 -0.0231 -0.0057 0.0084 94 ASP 34 H -0.0198 0.0032 -0.0062 95 ASP 34 HA -0.0203 0.0010 -0.0035 96 ASP 34 HB2 -0.0227 0.0005 0.0042 97 ASP 34 HB3 -0.0208 -0.0051 0.0009 98 PRO 35 N 0.0003 0.0081 -0.0034 99 PRO 35 CA 0.0168 0.0047 -0.0057 100 PRO 35 C 0.0107 -0.0100 -0.0038 101 PRO 35 O 0.0233 -0.0134 -0.0054 102 PRO 35 CB 0.0208 0.0271 -0.0077 103 PRO 35 CG -0.0005 0.0374 -0.0053 104 PRO 35 CD -0.0114 0.0282 -0.0030 105 PRO 35 HA 0.0310 -0.0016 -0.0074 106 PRO 35 HB2 0.0270 0.0264 -0.0086 107 PRO 35 HB3 0.0318 0.0350 -0.0099 108 PRO 35 HG2 -0.0091 0.0338 -0.0037 109 PRO 35 HG3 0.0012 0.0544 -0.0066 110 PRO 35 HD2 -0.0278 0.0252 -0.0004 111 PRO 35 HD3 -0.0100 0.0388 -0.0039 112 ASP 36 N -0.0404 -0.1209 0.0489 113 ASP 36 CA -0.0242 -0.0424 0.0271 114 ASP 36 C -0.0262 0.0077 0.0251 115 ASP 36 O -0.0395 0.0786 0.0326 116 ASP 36 CB 0.0345 -0.0443 -0.0296 117 ASP 36 CG 0.0545 0.0359 -0.0551 118 ASP 36 OD1 0.0343 0.0719 -0.0384 119 ASP 36 OD2 0.0916 0.0642 -0.0933 120 ASP 36 H -0.0130 -0.1572 0.0251 121 ASP 36 HA -0.0540 -0.0181 0.0540 122 ASP 36 HB2 0.0336 -0.0777 -0.0261 123 ASP 36 HB3 0.0638 -0.0731 -0.0557 124 LEU 37 N -0.0036 -0.0349 -0.0028 125 LEU 37 CA -0.0033 -0.0320 -0.0035 126 LEU 37 C -0.0059 -0.0308 -0.0044 127 LEU 37 O -0.0070 -0.0318 -0.0044 128 LEU 37 CB -0.0007 -0.0310 -0.0031 129 LEU 37 CG 0.0021 -0.0312 -0.0024 130 LEU 37 CD1 0.0023 -0.0296 -0.0027 131 LEU 37 CD2 0.0028 -0.0342 -0.0015 132 LEU 37 H -0.0031 -0.0361 -0.0024 133 LEU 37 HA -0.0030 -0.0313 -0.0036 134 LEU 37 HB2 -0.0008 -0.0322 -0.0028 135 LEU 37 HB3 -0.0010 -0.0289 -0.0037 136 LEU 37 HG 0.0036 -0.0303 -0.0022 137 LEU 37 HD11 0.0043 -0.0298 -0.0022 138 LEU 37 HD12 0.0007 -0.0305 -0.0029 139 LEU 37 HD13 0.0019 -0.0275 -0.0033 140 LEU 37 HD21 0.0048 -0.0343 -0.0010 141 LEU 37 HD22 0.0028 -0.0352 -0.0013 142 LEU 37 HD23 0.0013 -0.0352 -0.0016 143 PRO 38 N 0.0029 -0.0241 -0.0074 144 PRO 38 CA -0.0012 -0.0216 -0.0091 145 PRO 38 C -0.0052 -0.0172 -0.0089 146 PRO 38 O -0.0044 -0.0142 -0.0052 147 PRO 38 CB 0.0007 -0.0200 -0.0057 148 PRO 38 CG 0.0059 -0.0233 -0.0036 149 PRO 38 CD 0.0072 -0.0243 -0.0034 150 PRO 38 HA -0.0026 -0.0240 -0.0127 151 PRO 38 HB2 -0.0003 -0.0163 -0.0031 152 PRO 38 HB3 -0.0008 -0.0205 -0.0076 153 PRO 38 HG2 0.0077 -0.0214 -0.0001 154 PRO 38 HG3 0.0068 -0.0265 -0.0058 155 PRO 38 HD2 0.0079 -0.0217 -0.0001 156 PRO 38 HD3 0.0101 -0.0279 -0.0038 157 GLY 39 N -0.0010 -0.0156 -0.0204 158 GLY 39 CA -0.0077 -0.0091 -0.0206 159 GLY 39 C -0.0103 -0.0070 -0.0218 160 GLY 39 O -0.0153 -0.0016 -0.0194 161 GLY 39 H 0.0006 -0.0185 -0.0254 162 GLY 39 HA2 -0.0101 -0.0083 -0.0257 163 GLY 39 HA3 -0.0087 -0.0066 -0.0147 164 GLY 40 N -0.0156 -0.0096 -0.0189 165 GLY 40 CA -0.0168 -0.0071 -0.0179 166 GLY 40 C -0.0175 -0.0058 -0.0111 167 GLY 40 O -0.0188 -0.0031 -0.0095 168 GLY 40 H -0.0135 -0.0136 -0.0201 169 GLY 40 HA2 -0.0154 -0.0099 -0.0197 170 GLY 40 HA3 -0.0188 -0.0031 -0.0205 171 GLY 41 N -0.0091 -0.0138 -0.0140 172 GLY 41 CA -0.0075 -0.0122 -0.0103 173 GLY 41 C -0.0089 -0.0080 -0.0096 174 GLY 41 O -0.0078 -0.0062 -0.0066 175 GLY 41 H -0.0094 -0.0145 -0.0151 176 GLY 41 HA2 -0.0065 -0.0127 -0.0090 177 GLY 41 HA3 -0.0062 -0.0137 -0.0092 178 LEU 42 N -0.0251 0.0045 -0.0192 179 LEU 42 CA -0.0266 0.0120 -0.0195 180 LEU 42 C -0.0261 0.0093 -0.0193 181 LEU 42 O -0.0278 0.0147 -0.0184 182 LEU 42 CB -0.0242 0.0181 -0.0273 183 LEU 42 CG -0.0244 0.0217 -0.0285 184 LEU 42 CD1 -0.0218 0.0273 -0.0366 185 LEU 42 CD2 -0.0290 0.0269 -0.0214 186 LEU 42 H -0.0220 0.0024 -0.0246 187 LEU 42 HA -0.0300 0.0158 -0.0143 188 LEU 42 HB2 -0.0209 0.0143 -0.0324 189 LEU 42 HB3 -0.0254 0.0236 -0.0274 190 LEU 42 HG -0.0231 0.0161 -0.0287 191 LEU 42 HD11 -0.0220 0.0299 -0.0373 192 LEU 42 HD12 -0.0229 0.0329 -0.0368 193 LEU 42 HD13 -0.0185 0.0233 -0.0416 194 LEU 42 HD21 -0.0304 0.0325 -0.0210 195 LEU 42 HD22 -0.0290 0.0295 -0.0225 196 LEU 42 HD23 -0.0308 0.0226 -0.0157 197 HIS 43 N -0.0145 0.0098 0.0003 198 HIS 43 CA -0.0147 0.0092 0.0053 199 HIS 43 C -0.0114 0.0056 0.0115 200 HIS 43 O -0.0060 0.0016 0.0109 201 HIS 43 CB -0.0121 0.0078 0.0017 202 HIS 43 CG -0.0146 0.0108 -0.0052 203 HIS 43 ND1 -0.0197 0.0147 -0.0053 204 HIS 43 CD2 -0.0126 0.0106 -0.0123 205 HIS 43 CE1 -0.0207 0.0167 -0.0121 206 HIS 43 NE2 -0.0165 0.0142 -0.0164 207 HIS 43 H -0.0106 0.0072 -0.0015 208 HIS 43 HA -0.0193 0.0122 0.0074 209 HIS 43 HB2 -0.0074 0.0044 0.0007 210 HIS 43 HB3 -0.0129 0.0077 0.0056 211 HIS 43 HD1 -0.0223 0.0159 -0.0010 212 HIS 43 HD2 -0.0087 0.0079 -0.0144 213 HIS 43 HE1 -0.0244 0.0197 -0.0137 214 HIS 43 HE2 -0.0168 0.0153 -0.0217 215 ARG 44 N -0.0090 0.0054 0.0070 216 ARG 44 CA -0.0016 0.0125 0.0049 217 ARG 44 C -0.0027 0.0157 0.0090 218 ARG 44 O -0.0079 0.0107 0.0104 219 ARG 44 CB 0.0039 0.0090 -0.0046 220 ARG 44 CG 0.0044 0.0033 -0.0105 221 ARG 44 CD 0.0094 -0.0004 -0.0197 222 ARG 44 NE 0.0099 -0.0066 -0.0258 223 ARG 44 CZ 0.0147 -0.0099 -0.0343 224 ARG 44 NH1 0.0193 -0.0077 -0.0377 225 ARG 44 NH2 0.0149 -0.0153 -0.0395 226 ARG 44 H -0.0123 0.0002 0.0061 227 ARG 44 HA 0.0012 0.0179 0.0064 228 ARG 44 HB2 0.0020 0.0055 -0.0057 229 ARG 44 HB3 0.0097 0.0148 -0.0061 230 ARG 44 HG2 0.0070 0.0073 -0.0099 231 ARG 44 HG3 -0.0015 -0.0021 -0.0085 232 ARG 44 HD2 0.0071 -0.0039 -0.0201 233 ARG 44 HD3 0.0153 0.0052 -0.0214 234 ARG 44 HE 0.0064 -0.0083 -0.0233 235 ARG 44 HH11 0.0193 -0.0037 -0.0340 236 ARG 44 HH12 0.0229 -0.0102 -0.0441 237 ARG 44 HH21 0.0116 -0.0171 -0.0373 238 ARG 44 HH22 0.0185 -0.0178 -0.0459 239 CYS 45 N 0.0067 0.0109 0.0052 240 CYS 45 CA 0.0069 0.0123 0.0065 241 CYS 45 C 0.0090 0.0121 0.0057 242 CYS 45 O 0.0109 0.0123 0.0053 243 CYS 45 CB 0.0072 0.0140 0.0081 244 CYS 45 SG 0.0080 0.0159 0.0096 245 CYS 45 H 0.0075 0.0109 0.0050 246 CYS 45 HA 0.0055 0.0120 0.0067 247 CYS 45 HB2 0.0056 0.0141 0.0087 248 CYS 45 HB3 0.0084 0.0142 0.0079 249 LEU 46 N 0.0128 0.0212 0.0073 250 LEU 46 CA 0.0193 0.0202 0.0015 251 LEU 46 C 0.0277 0.0267 0.0063 252 LEU 46 O 0.0367 0.0275 0.0018 253 LEU 46 CB 0.0125 0.0159 -0.0010 254 LEU 46 CG 0.0043 0.0091 -0.0065 255 LEU 46 CD1 -0.0026 0.0055 -0.0078 256 LEU 46 CD2 0.0092 0.0051 -0.0161 257 LEU 46 H 0.0055 0.0198 0.0099 258 LEU 46 HA 0.0230 0.0176 -0.0050 259 LEU 46 HB2 0.0087 0.0185 0.0056 260 LEU 46 HB3 0.0175 0.0153 -0.0051 261 LEU 46 HG -0.0004 0.0098 -0.0023 262 LEU 46 HD11 -0.0066 0.0081 -0.0010 263 LEU 46 HD12 -0.0082 0.0006 -0.0120 264 LEU 46 HD13 0.0023 0.0052 -0.0115 265 LEU 46 HD21 0.0133 0.0074 -0.0150 266 LEU 46 HD22 0.0144 0.0046 -0.0202 267 LEU 46 HD23 0.0031 0.0002 -0.0199 268 ALA 47 N 0.0114 0.0130 0.0026 269 ALA 47 CA 0.0133 0.0140 0.0047 270 ALA 47 C 0.0186 0.0184 0.0052 271 ALA 47 O 0.0207 0.0201 0.0056 272 ALA 47 CB 0.0120 0.0111 0.0106 273 ALA 47 H 0.0100 0.0109 0.0052 274 ALA 47 HA 0.0117 0.0136 0.0016 275 ALA 47 HB1 0.0133 0.0117 0.0121 276 ALA 47 HB2 0.0137 0.0115 0.0138 277 ALA 47 HB3 0.0083 0.0079 0.0102 278 CYS 48 N 0.0303 0.0261 0.0035 279 CYS 48 CA 0.0293 0.0209 0.0024 280 CYS 48 C 0.0309 0.0126 0.0028 281 CYS 48 O 0.0313 0.0078 0.0026 282 CYS 48 CB 0.0226 0.0220 -0.0020 283 CYS 48 SG 0.0215 0.0309 -0.0020 284 CYS 48 H 0.0278 0.0259 0.0018 285 CYS 48 HA 0.0327 0.0223 0.0048 286 CYS 48 HB2 0.0185 0.0220 -0.0047 287 CYS 48 HB3 0.0221 0.0181 -0.0026 288 ALA 49 N 0.0399 0.0240 0.0066 289 ALA 49 CA 0.0448 0.0091 -0.0017 290 ALA 49 C 0.0356 0.0053 -0.0006 291 ALA 49 O 0.0412 -0.0034 -0.0063 292 ALA 49 CB 0.0640 0.0106 -0.0071 293 ALA 49 H 0.0350 0.0233 0.0078 294 ALA 49 HA 0.0410 -0.0004 -0.0048 295 ALA 49 HB1 0.0679 0.0201 -0.0041 296 ALA 49 HB2 0.0701 0.0132 -0.0079 297 ALA 49 HB3 0.0674 -0.0006 -0.0133 298 ARG 50 N 0.0087 0.0145 0.0121 299 ARG 50 CA 0.0115 0.0143 0.0100 300 ARG 50 C 0.0268 0.0246 0.0125 301 ARG 50 O 0.0386 0.0278 0.0092 302 ARG 50 CB 0.0117 0.0019 -0.0043 303 ARG 50 CG -0.0040 -0.0092 -0.0076 304 ARG 50 CD -0.0028 -0.0211 -0.0219 305 ARG 50 NE -0.0177 -0.0319 -0.0254 306 ARG 50 CZ -0.0195 -0.0437 -0.0378 307 ARG 50 NH1 -0.0074 -0.0460 -0.0477 308 ARG 50 NH2 -0.0333 -0.0529 -0.0401 309 ARG 50 H 0.0151 0.0121 0.0054 310 ARG 50 HA 0.0019 0.0157 0.0175 311 ARG 50 HB2 0.0212 0.0004 -0.0118 312 ARG 50 HB3 0.0145 0.0025 -0.0053 313 ARG 50 HG2 -0.0134 -0.0079 -0.0003 314 ARG 50 HG3 -0.0069 -0.0100 -0.0067 315 ARG 50 HD2 0.0069 -0.0223 -0.0292 316 ARG 50 HD3 -0.0001 -0.0203 -0.0226 317 ARG 50 HE -0.0267 -0.0301 -0.0178 318 ARG 50 HH11 0.0031 -0.0393 -0.0464 319 ARG 50 HH12 -0.0083 -0.0546 -0.0571 320 ARG 50 HH21 -0.0427 -0.0515 -0.0327 321 ARG 50 HH22 -0.0347 -0.0617 -0.0493 322 TYR 51 N 0.0150 0.0121 0.0014 323 TYR 51 CA 0.0068 0.0047 -0.0000 324 TYR 51 C -0.0004 0.0079 0.0057 325 TYR 51 O 0.0028 0.0121 0.0073 326 TYR 51 CB 0.0109 -0.0025 -0.0072 327 TYR 51 CG 0.0189 -0.0055 -0.0132 328 TYR 51 CD1 0.0290 -0.0011 -0.0149 329 TYR 51 CD2 0.0163 -0.0126 -0.0172 330 TYR 51 CE1 0.0363 -0.0038 -0.0203 331 TYR 51 CE2 0.0236 -0.0153 -0.0227 332 TYR 51 CZ 0.0336 -0.0109 -0.0242 333 TYR 51 OH 0.0409 -0.0135 -0.0296 334 TYR 51 H 0.0197 0.0138 0.0004 335 TYR 51 HA 0.0031 0.0020 -0.0003 336 TYR 51 HB2 0.0142 0.0002 -0.0068 337 TYR 51 HB3 0.0046 -0.0082 -0.0084 338 TYR 51 HD1 0.0312 0.0044 -0.0119 339 TYR 51 HD2 0.0084 -0.0160 -0.0159 340 TYR 51 HE1 0.0442 -0.0003 -0.0216 341 TYR 51 HE2 0.0214 -0.0209 -0.0257 342 TYR 51 HH 0.0464 -0.0135 -0.0322 343 PHE 52 N 0.0008 0.0001 0.0105 344 PHE 52 CA -0.0005 0.0003 0.0098 345 PHE 52 C -0.0008 -0.0004 0.0104 346 PHE 52 O 0.0001 -0.0007 0.0110 347 PHE 52 CB -0.0001 0.0015 0.0089 348 PHE 52 CG 0.0003 0.0024 0.0082 349 PHE 52 CD1 0.0016 0.0027 0.0085 350 PHE 52 CD2 -0.0007 0.0029 0.0074 351 PHE 52 CE1 0.0020 0.0034 0.0079 352 PHE 52 CE2 -0.0004 0.0036 0.0069 353 PHE 52 CZ 0.0010 0.0039 0.0071 354 PHE 52 H 0.0017 0.0003 0.0107 355 PHE 52 HA -0.0013 0.0002 0.0097 356 PHE 52 HB2 0.0007 0.0017 0.0091 357 PHE 52 HB3 -0.0011 0.0017 0.0084 358 PHE 52 HD1 0.0024 0.0023 0.0091 359 PHE 52 HD2 -0.0018 0.0027 0.0072 360 PHE 52 HE1 0.0031 0.0036 0.0081 361 PHE 52 HE2 -0.0012 0.0040 0.0062 362 PHE 52 HZ 0.0013 0.0045 0.0067 363 ILE 53 N -0.0030 -0.0050 0.0117 364 ILE 53 CA -0.0048 -0.0065 0.0099 365 ILE 53 C -0.0078 -0.0062 0.0098 366 ILE 53 O -0.0092 -0.0076 0.0081 367 ILE 53 CB -0.0048 -0.0067 0.0097 368 ILE 53 CG1 -0.0059 -0.0047 0.0116 369 ILE 53 CG2 -0.0018 -0.0074 0.0093 370 ILE 53 CD1 -0.0061 -0.0048 0.0116 371 ILE 53 H -0.0023 -0.0042 0.0127 372 ILE 53 HA -0.0038 -0.0079 0.0085 373 ILE 53 HB -0.0062 -0.0078 0.0083 374 ILE 53 HG12 -0.0045 -0.0036 0.0130 375 ILE 53 HG13 -0.0080 -0.0043 0.0118 376 ILE 53 HG21 -0.0003 -0.0064 0.0106 377 ILE 53 HG22 -0.0012 -0.0089 0.0078 378 ILE 53 HG23 -0.0019 -0.0075 0.0091 379 ILE 53 HD11 -0.0076 -0.0058 0.0102 380 ILE 53 HD12 -0.0069 -0.0033 0.0130 381 ILE 53 HD13 -0.0040 -0.0052 0.0113 382 ASP 54 N -0.0002 0.0056 0.0153 383 ASP 54 CA 0.0049 0.0091 0.0131 384 ASP 54 C 0.0027 0.0051 0.0135 385 ASP 54 O -0.0011 -0.0019 0.0140 386 ASP 54 CB 0.0129 0.0073 0.0081 387 ASP 54 CG 0.0188 0.0111 0.0056 388 ASP 54 OD1 0.0213 0.0187 0.0059 389 ASP 54 OD2 0.0209 0.0066 0.0032 390 ASP 54 H -0.0027 -0.0002 0.0154 391 ASP 54 HA 0.0048 0.0158 0.0149 392 ASP 54 HB2 0.0142 0.0099 0.0079 393 ASP 54 HB3 0.0131 0.0006 0.0064 394 SER 55 N 0.0069 0.0104 0.0100 395 SER 55 CA 0.0049 0.0117 0.0132 396 SER 55 C 0.0072 0.0057 0.0100 397 SER 55 O 0.0051 0.0027 0.0139 398 SER 55 CB 0.0049 0.0212 0.0121 399 SER 55 OG 0.0031 0.0229 0.0149 400 SER 55 H 0.0083 0.0152 0.0072 401 SER 55 HA 0.0014 0.0102 0.0191 402 SER 55 HB2 0.0029 0.0250 0.0151 403 SER 55 HB3 0.0082 0.0232 0.0064 404 SER 55 HG 0.0054 0.0221 0.0111 405 THR 56 N 0.0187 0.0148 0.0119 406 THR 56 CA 0.0232 0.0039 0.0034 407 THR 56 C 0.0149 -0.0092 0.0053 408 THR 56 O 0.0138 -0.0184 0.0026 409 THR 56 CB 0.0332 0.0045 -0.0052 410 THR 56 OG1 0.0403 0.0175 -0.0061 411 THR 56 CG2 0.0389 -0.0056 -0.0144 412 THR 56 H 0.0220 0.0206 0.0114 413 THR 56 HA 0.0254 0.0046 0.0018 414 THR 56 HB 0.0305 0.0026 -0.0036 415 THR 56 HG1 0.0376 0.0229 -0.0015 416 THR 56 HG21 0.0459 -0.0050 -0.0203 417 THR 56 HG22 0.0413 -0.0038 -0.0158 418 THR 56 HG23 0.0336 -0.0154 -0.0137 419 ASN 57 N 0.0051 -0.0022 0.0105 420 ASN 57 CA 0.0004 -0.0074 0.0112 421 ASN 57 C -0.0024 -0.0079 0.0141 422 ASN 57 O -0.0049 -0.0123 0.0127 423 ASN 57 CB -0.0026 -0.0080 0.0142 424 ASN 57 CG -0.0014 -0.0101 0.0106 425 ASN 57 OD1 -0.0036 -0.0151 0.0084 426 ASN 57 ND2 0.0020 -0.0065 0.0099 427 ASN 57 H 0.0054 0.0004 0.0127 428 ASN 57 HA 0.0010 -0.0106 0.0072 429 ASN 57 HB2 -0.0018 -0.0039 0.0172 430 ASN 57 HB3 -0.0065 -0.0105 0.0164 431 ASN 57 HD21 0.0038 -0.0026 0.0117 432 ASN 57 HD22 0.0028 -0.0079 0.0076 433 LEU 58 N 0.0004 0.0005 0.0189 434 LEU 58 CA -0.0008 0.0005 0.0201 435 LEU 58 C -0.0004 -0.0001 0.0196 436 LEU 58 O -0.0013 -0.0013 0.0200 437 LEU 58 CB -0.0012 0.0025 0.0212 438 LEU 58 CG -0.0023 0.0030 0.0224 439 LEU 58 CD1 -0.0016 0.0036 0.0220 440 LEU 58 CD2 -0.0036 0.0013 0.0231 441 LEU 58 H 0.0009 0.0017 0.0188 442 LEU 58 HA -0.0017 -0.0006 0.0206 443 LEU 58 HB2 -0.0016 0.0026 0.0216 444 LEU 58 HB3 -0.0002 0.0036 0.0205 445 LEU 58 HG -0.0027 0.0042 0.0232 446 LEU 58 HD11 -0.0024 0.0040 0.0229 447 LEU 58 HD12 -0.0012 0.0025 0.0211 448 LEU 58 HD13 -0.0008 0.0049 0.0215 449 LEU 58 HD21 -0.0032 0.0001 0.0223 450 LEU 58 HD22 -0.0043 0.0017 0.0240 451 LEU 58 HD23 -0.0041 0.0009 0.0235 452 LYS 59 N 0.0030 -0.0044 0.0165 453 LYS 59 CA 0.0062 -0.0064 0.0121 454 LYS 59 C 0.0053 -0.0130 0.0069 455 LYS 59 O 0.0047 -0.0164 0.0044 456 LYS 59 CB 0.0132 -0.0019 0.0103 457 LYS 59 CG 0.0174 -0.0013 0.0074 458 LYS 59 CD 0.0241 0.0036 0.0063 459 LYS 59 CE 0.0275 0.0019 0.0019 460 LYS 59 NZ 0.0286 -0.0036 -0.0038 461 LYS 59 H 0.0053 -0.0009 0.0177 462 LYS 59 HA 0.0036 -0.0064 0.0142 463 LYS 59 HB2 0.0151 -0.0034 0.0075 464 LYS 59 HB3 0.0134 0.0026 0.0141 465 LYS 59 HG2 0.0153 -0.0001 0.0102 466 LYS 59 HG3 0.0175 -0.0057 0.0034 467 LYS 59 HD2 0.0238 0.0078 0.0102 468 LYS 59 HD3 0.0267 0.0043 0.0047 469 LYS 59 HE2 0.0248 0.0011 0.0035 470 LYS 59 HE3 0.0321 0.0057 0.0016 471 LYS 59 HZ1 0.0315 -0.0028 -0.0055 472 LYS 59 HZ2 0.0309 -0.0046 -0.0066 473 LYS 59 HZ3 0.0244 -0.0075 -0.0038 474 THR 60 N 0.0080 -0.0075 -0.0006 475 THR 60 CA 0.0040 -0.0147 -0.0089 476 THR 60 C 0.0016 -0.0213 -0.0011 477 THR 60 O 0.0002 -0.0236 -0.0055 478 THR 60 CB -0.0005 -0.0231 -0.0162 479 THR 60 OG1 0.0018 -0.0166 -0.0237 480 THR 60 CG2 -0.0048 -0.0307 -0.0249 481 THR 60 H 0.0073 -0.0092 0.0003 482 THR 60 HA 0.0061 -0.0089 -0.0156 483 THR 60 HB -0.0023 -0.0284 -0.0090 484 THR 60 HG1 0.0038 -0.0134 -0.0181 485 THR 60 HG21 -0.0079 -0.0365 -0.0296 486 THR 60 HG22 -0.0029 -0.0252 -0.0318 487 THR 60 HG23 -0.0065 -0.0356 -0.0193 488 HIS 61 N -0.0007 -0.0051 0.0050 489 HIS 61 CA -0.0017 -0.0030 0.0009 490 HIS 61 C 0.0018 -0.0037 -0.0046 491 HIS 61 O 0.0005 -0.0014 -0.0089 492 HIS 61 CB -0.0018 -0.0036 0.0031 493 HIS 61 CG -0.0011 -0.0027 -0.0013 494 HIS 61 ND1 -0.0044 0.0007 -0.0044 495 HIS 61 CD2 0.0027 -0.0048 -0.0032 496 HIS 61 CE1 -0.0025 0.0006 -0.0080 497 HIS 61 NE2 0.0017 -0.0027 -0.0074 498 HIS 61 H 0.0002 -0.0068 0.0083 499 HIS 61 HA -0.0051 -0.0003 0.0001 500 HIS 61 HB2 -0.0052 -0.0021 0.0056 501 HIS 61 HB3 0.0009 -0.0064 0.0055 502 HIS 61 HD1 -0.0076 0.0028 -0.0040 503 HIS 61 HD2 0.0060 -0.0076 -0.0017 504 HIS 61 HE1 -0.0037 0.0025 -0.0114 505 PHE 62 N 0.0047 -0.0026 0.0015 506 PHE 62 CA 0.0058 -0.0032 -0.0006 507 PHE 62 C 0.0067 -0.0045 -0.0045 508 PHE 62 O 0.0080 -0.0051 -0.0067 509 PHE 62 CB 0.0092 -0.0021 0.0007 510 PHE 62 CG 0.0089 -0.0006 0.0047 511 PHE 62 CD1 0.0058 -0.0007 0.0062 512 PHE 62 CD2 0.0116 0.0007 0.0068 513 PHE 62 CE1 0.0055 0.0007 0.0099 514 PHE 62 CE2 0.0114 0.0020 0.0104 515 PHE 62 CZ 0.0084 0.0020 0.0120 516 PHE 62 H 0.0066 -0.0018 0.0028 517 PHE 62 HA 0.0034 -0.0037 -0.0006 518 PHE 62 HB2 0.0118 -0.0018 0.0001 519 PHE 62 HB3 0.0092 -0.0026 -0.0007 520 PHE 62 HD1 0.0036 -0.0017 0.0045 521 PHE 62 HD2 0.0141 0.0007 0.0056 522 PHE 62 HE1 0.0031 0.0006 0.0110 523 PHE 62 HE2 0.0137 0.0031 0.0121 524 PHE 62 HZ 0.0083 0.0031 0.0149 525 ARG 63 N 0.0138 -0.0012 -0.0139 526 ARG 63 CA 0.0082 0.0086 -0.0093 527 ARG 63 C 0.0144 0.0207 -0.0114 528 ARG 63 O 0.0106 0.0300 -0.0080 529 ARG 63 CB -0.0027 0.0088 -0.0030 530 ARG 63 CG -0.0097 -0.0020 -0.0004 531 ARG 63 CD -0.0204 -0.0016 0.0059 532 ARG 63 NE -0.0255 0.0093 0.0102 533 ARG 63 CZ -0.0355 0.0111 0.0162 534 ARG 63 NH1 -0.0419 0.0025 0.0188 535 ARG 63 NH2 -0.0392 0.0215 0.0197 536 ARG 63 H 0.0117 -0.0050 -0.0131 537 ARG 63 HA 0.0075 0.0070 -0.0092 538 ARG 63 HB2 -0.0021 0.0091 -0.0034 539 ARG 63 HB3 -0.0062 0.0168 0.0000 540 ARG 63 HG2 -0.0105 -0.0021 0.0001 541 ARG 63 HG3 -0.0062 -0.0100 -0.0034 542 ARG 63 HD2 -0.0252 -0.0093 0.0076 543 ARG 63 HD3 -0.0197 -0.0019 0.0054 544 ARG 63 HE -0.0210 0.0157 0.0084 545 ARG 63 HH11 -0.0394 -0.0055 0.0163 546 ARG 63 HH12 -0.0494 0.0037 0.0233 547 ARG 63 HH21 -0.0345 0.0281 0.0178 548 ARG 63 HH22 -0.0466 0.0234 0.0242 549 SER 64 N -0.0039 0.0002 -0.0175 550 SER 64 CA -0.0046 0.0006 -0.0189 551 SER 64 C -0.0018 0.0017 -0.0200 552 SER 64 O 0.0001 0.0015 -0.0184 553 SER 64 CB -0.0058 -0.0004 -0.0169 554 SER 64 OG -0.0080 -0.0015 -0.0153 555 SER 64 H -0.0034 -0.0005 -0.0155 556 SER 64 HA -0.0063 0.0010 -0.0206 557 SER 64 HB2 -0.0040 -0.0006 -0.0155 558 SER 64 HB3 -0.0068 -0.0002 -0.0181 559 SER 64 HG -0.0098 -0.0015 -0.0165 560 LYS 65 N -0.0077 -0.0029 -0.0385 561 LYS 65 CA -0.0134 0.0061 -0.0281 562 LYS 65 C -0.0021 0.0058 -0.0200 563 LYS 65 O -0.0062 0.0101 -0.0162 564 LYS 65 CB -0.0207 0.0155 -0.0184 565 LYS 65 CG -0.0116 0.0158 -0.0110 566 LYS 65 CD 0.0024 0.0156 -0.0005 567 LYS 65 CE 0.0109 0.0158 0.0063 568 LYS 65 NZ 0.0250 0.0150 0.0159 569 LYS 65 H -0.0074 -0.0026 -0.0378 570 LYS 65 HA -0.0220 0.0064 -0.0343 571 LYS 65 HB2 -0.0232 0.0217 -0.0102 572 LYS 65 HB3 -0.0311 0.0167 -0.0245 573 LYS 65 HG2 -0.0185 0.0224 -0.0055 574 LYS 65 HG3 -0.0087 0.0096 -0.0189 575 LYS 65 HD2 0.0094 0.0090 -0.0058 576 LYS 65 HD3 -0.0007 0.0219 0.0074 577 LYS 65 HE2 0.0040 0.0226 0.0122 578 LYS 65 HE3 0.0131 0.0098 -0.0018 579 LYS 65 HZ1 0.0234 0.0207 0.0239 580 LYS 65 HZ2 0.0321 0.0084 0.0107 581 LYS 65 HZ3 0.0304 0.0154 0.0206 582 ASP 66 N -0.0080 0.0040 -0.0202 583 ASP 66 CA -0.0041 0.0038 -0.0173 584 ASP 66 C -0.0032 0.0018 -0.0192 585 ASP 66 O -0.0015 0.0024 -0.0170 586 ASP 66 CB -0.0001 0.0020 -0.0163 587 ASP 66 CG 0.0038 0.0023 -0.0128 588 ASP 66 OD1 0.0042 0.0049 -0.0092 589 ASP 66 OD2 0.0066 -0.0000 -0.0136 590 ASP 66 H -0.0076 0.0026 -0.0216 591 ASP 66 HA -0.0049 0.0064 -0.0146 592 ASP 66 HB2 -0.0011 0.0032 -0.0155 593 ASP 66 HB3 0.0008 -0.0007 -0.0191 594 HIS 67 N 0.0022 -0.0034 -0.0107 595 HIS 67 CA 0.0021 -0.0021 -0.0083 596 HIS 67 C 0.0040 -0.0014 -0.0080 597 HIS 67 O 0.0034 -0.0010 -0.0069 598 HIS 67 CB 0.0026 -0.0012 -0.0070 599 HIS 67 CG 0.0023 0.0000 -0.0046 600 HIS 67 ND1 0.0006 0.0001 -0.0034 601 HIS 67 CD2 0.0030 0.0010 -0.0031 602 HIS 67 CE1 0.0002 0.0011 -0.0014 603 HIS 67 NE2 0.0015 0.0017 -0.0011 604 HIS 67 H 0.0027 -0.0035 -0.0112 605 HIS 67 HA 0.0003 -0.0023 -0.0077 606 HIS 67 HB2 0.0013 -0.0017 -0.0071 607 HIS 67 HB3 0.0044 -0.0010 -0.0075 608 HIS 67 HD1 -0.0002 -0.0004 -0.0040 609 HIS 67 HD2 0.0046 0.0012 -0.0036 610 HIS 67 HE1 -0.0010 0.0015 -0.0001 611 LYS 68 N -0.0024 -0.0031 -0.0070 612 LYS 68 CA -0.0012 -0.0035 -0.0069 613 LYS 68 C -0.0026 -0.0058 -0.0087 614 LYS 68 O -0.0031 -0.0060 -0.0089 615 LYS 68 CB 0.0022 -0.0039 -0.0064 616 LYS 68 CG 0.0036 -0.0016 -0.0047 617 LYS 68 CD 0.0071 -0.0022 -0.0042 618 LYS 68 CE 0.0081 -0.0048 -0.0055 619 LYS 68 NZ 0.0115 -0.0053 -0.0050 620 LYS 68 H -0.0010 -0.0035 -0.0069 621 LYS 68 HA -0.0020 -0.0016 -0.0060 622 LYS 68 HB2 0.0029 -0.0058 -0.0074 623 LYS 68 HB3 0.0031 -0.0040 -0.0062 624 LYS 68 HG2 0.0028 0.0005 -0.0037 625 LYS 68 HG3 0.0027 -0.0014 -0.0048 626 LYS 68 HD2 0.0080 -0.0024 -0.0041 627 LYS 68 HD3 0.0080 -0.0005 -0.0030 628 LYS 68 HE2 0.0071 -0.0046 -0.0056 629 LYS 68 HE3 0.0073 -0.0065 -0.0067 630 LYS 68 HZ1 0.0126 -0.0055 -0.0049 631 LYS 68 HZ2 0.0121 -0.0070 -0.0059 632 LYS 68 HZ3 0.0123 -0.0037 -0.0038 633 LYS 69 N -0.0138 -0.0029 -0.0113 634 LYS 69 CA -0.0117 -0.0004 -0.0101 635 LYS 69 C -0.0077 -0.0013 -0.0126 636 LYS 69 O -0.0068 -0.0013 -0.0129 637 LYS 69 CB -0.0106 0.0031 -0.0076 638 LYS 69 CG -0.0074 0.0059 -0.0065 639 LYS 69 CD -0.0066 0.0089 -0.0043 640 LYS 69 CE -0.0032 0.0120 -0.0030 641 LYS 69 NZ -0.0026 0.0147 -0.0010 642 LYS 69 H -0.0143 -0.0020 -0.0103 643 LYS 69 HA -0.0137 -0.0003 -0.0091 644 LYS 69 HB2 -0.0135 0.0039 -0.0056 645 LYS 69 HB3 -0.0095 0.0027 -0.0084 646 LYS 69 HG2 -0.0047 0.0049 -0.0085 647 LYS 69 HG3 -0.0086 0.0066 -0.0054 648 LYS 69 HD2 -0.0094 0.0097 -0.0024 649 LYS 69 HD3 -0.0057 0.0081 -0.0054 650 LYS 69 HE2 -0.0004 0.0113 -0.0049 651 LYS 69 HE3 -0.0042 0.0131 -0.0017 652 LYS 69 HZ1 -0.0002 0.0169 -0.0002 653 LYS 69 HZ2 -0.0018 0.0137 -0.0023 654 LYS 69 HZ3 -0.0053 0.0154 0.0008 655 ARG 70 N -0.0106 -0.0029 -0.0085 656 ARG 70 CA -0.0073 -0.0047 -0.0070 657 ARG 70 C -0.0078 -0.0051 -0.0077 658 ARG 70 O -0.0056 -0.0049 -0.0059 659 ARG 70 CB -0.0054 -0.0085 -0.0081 660 ARG 70 CG -0.0016 -0.0105 -0.0065 661 ARG 70 CD 0.0006 -0.0081 -0.0031 662 ARG 70 NE 0.0042 -0.0098 -0.0014 663 ARG 70 CZ 0.0062 -0.0079 0.0015 664 ARG 70 NH1 0.0050 -0.0041 0.0030 665 ARG 70 NH2 0.0094 -0.0097 0.0028 666 ARG 70 H -0.0116 -0.0043 -0.0102 667 ARG 70 HA -0.0057 -0.0029 -0.0046 668 ARG 70 HB2 -0.0054 -0.0083 -0.0080 669 ARG 70 HB3 -0.0069 -0.0103 -0.0105 670 ARG 70 HG2 -0.0005 -0.0131 -0.0074 671 ARG 70 HG3 -0.0017 -0.0109 -0.0069 672 ARG 70 HD2 -0.0006 -0.0054 -0.0022 673 ARG 70 HD3 0.0008 -0.0077 -0.0027 674 ARG 70 HE 0.0051 -0.0125 -0.0025 675 ARG 70 HH11 0.0026 -0.0026 0.0021 676 ARG 70 HH12 0.0064 -0.0027 0.0052 677 ARG 70 HH21 0.0104 -0.0125 0.0017 678 ARG 70 HH22 0.0110 -0.0084 0.0049 679 LEU 71 N -0.0049 -0.0099 0.0002 680 LEU 71 CA -0.0050 -0.0090 0.0004 681 LEU 71 C -0.0055 -0.0115 -0.0005 682 LEU 71 O -0.0070 -0.0111 -0.0011 683 LEU 71 CB -0.0023 -0.0079 0.0020 684 LEU 71 CG -0.0014 -0.0053 0.0031 685 LEU 71 CD1 0.0013 -0.0044 0.0046 686 LEU 71 CD2 -0.0035 -0.0027 0.0026 687 LEU 71 H -0.0032 -0.0101 0.0010 688 LEU 71 HA -0.0066 -0.0072 0.0000 689 LEU 71 HB2 -0.0007 -0.0097 0.0024 690 LEU 71 HB3 -0.0024 -0.0073 0.0021 691 LEU 71 HG -0.0010 -0.0061 0.0031 692 LEU 71 HD11 0.0010 -0.0036 0.0047 693 LEU 71 HD12 0.0028 -0.0062 0.0050 694 LEU 71 HD13 0.0019 -0.0026 0.0054 695 LEU 71 HD21 -0.0054 -0.0034 0.0015 696 LEU 71 HD22 -0.0040 -0.0020 0.0026 697 LEU 71 HD23 -0.0028 -0.0010 0.0034 698 LYS 72 N -0.0183 -0.0106 -0.0027 699 LYS 72 CA -0.0187 -0.0075 -0.0012 700 LYS 72 C -0.0159 -0.0071 0.0014 701 LYS 72 O -0.0155 -0.0058 0.0026 702 LYS 72 CB -0.0205 -0.0051 -0.0012 703 LYS 72 CG -0.0211 -0.0019 0.0002 704 LYS 72 CD -0.0230 0.0003 -0.0000 705 LYS 72 CE -0.0237 0.0036 0.0014 706 LYS 72 NZ -0.0256 0.0058 0.0011 707 LYS 72 H -0.0190 -0.0108 -0.0035 708 LYS 72 HA -0.0197 -0.0073 -0.0019 709 LYS 72 HB2 -0.0224 -0.0055 -0.0031 710 LYS 72 HB3 -0.0194 -0.0054 -0.0005 711 LYS 72 HG2 -0.0192 -0.0014 0.0021 712 LYS 72 HG3 -0.0220 -0.0016 -0.0004 713 LYS 72 HD2 -0.0249 -0.0002 -0.0019 714 LYS 72 HD3 -0.0221 0.0000 0.0006 715 LYS 72 HE2 -0.0218 0.0041 0.0033 716 LYS 72 HE3 -0.0245 0.0038 0.0008 717 LYS 72 HZ1 -0.0248 0.0056 0.0016 718 LYS 72 HZ2 -0.0274 0.0053 -0.0007 719 LYS 72 HZ3 -0.0260 0.0080 0.0021 720 GLN 73 N -0.0143 -0.0057 -0.0045 721 GLN 73 CA -0.0085 -0.0036 -0.0053 722 GLN 73 C -0.0052 -0.0078 -0.0100 723 GLN 73 O -0.0025 -0.0080 -0.0113 724 GLN 73 CB -0.0047 0.0006 -0.0035 725 GLN 73 CG -0.0074 0.0052 0.0012 726 GLN 73 CD -0.0036 0.0092 0.0028 727 GLN 73 OE1 -0.0003 0.0081 0.0006 728 GLN 73 NE2 -0.0039 0.0139 0.0067 729 GLN 73 H -0.0149 -0.0047 -0.0035 730 GLN 73 HA -0.0094 -0.0021 -0.0037 731 GLN 73 HB2 -0.0039 -0.0009 -0.0050 732 GLN 73 HB3 -0.0004 0.0020 -0.0042 733 GLN 73 HG2 -0.0080 0.0069 0.0028 734 GLN 73 HG3 -0.0117 0.0038 0.0019 735 GLN 73 HE21 -0.0065 0.0145 0.0083 736 GLN 73 HE22 -0.0015 0.0167 0.0079 737 LEU 74 N -0.0087 -0.0120 -0.0056 738 LEU 74 CA -0.0083 -0.0124 -0.0073 739 LEU 74 C -0.0084 -0.0153 -0.0077 740 LEU 74 O -0.0080 -0.0161 -0.0094 741 LEU 74 CB -0.0084 -0.0109 -0.0064 742 LEU 74 CG -0.0079 -0.0108 -0.0082 743 LEU 74 CD1 -0.0071 -0.0097 -0.0107 744 LEU 74 CD2 -0.0081 -0.0092 -0.0070 745 LEU 74 H -0.0091 -0.0114 -0.0039 746 LEU 74 HA -0.0077 -0.0117 -0.0091 747 LEU 74 HB2 -0.0083 -0.0089 -0.0060 748 LEU 74 HB3 -0.0089 -0.0117 -0.0047 749 LEU 74 HG -0.0080 -0.0128 -0.0085 750 LEU 74 HD11 -0.0068 -0.0097 -0.0119 751 LEU 74 HD12 -0.0070 -0.0078 -0.0105 752 LEU 74 HD13 -0.0070 -0.0110 -0.0116 753 LEU 74 HD21 -0.0080 -0.0072 -0.0067 754 LEU 74 HD22 -0.0078 -0.0092 -0.0082 755 LEU 74 HD23 -0.0086 -0.0100 -0.0052 756 SER 75 N -0.0041 -0.0115 -0.0010 757 SER 75 CA 0.0028 -0.0126 0.0018 758 SER 75 C -0.0035 -0.0269 0.0073 759 SER 75 O 0.0034 -0.0318 0.0121 760 SER 75 CB 0.0207 -0.0101 0.0062 761 SER 75 OG 0.0276 -0.0102 0.0085 762 SER 75 H -0.0121 -0.0055 -0.0067 763 SER 75 HA -0.0011 -0.0044 -0.0038 764 SER 75 HB2 0.0243 0.0001 0.0021 765 SER 75 HB3 0.0244 -0.0183 0.0118 766 SER 75 HG 0.0357 -0.0022 0.0069 767 VAL 76 N -0.0060 -0.0192 0.0021 768 VAL 76 CA -0.0057 -0.0186 0.0028 769 VAL 76 C -0.0060 -0.0208 0.0047 770 VAL 76 O -0.0064 -0.0221 0.0040 771 VAL 76 CB -0.0049 -0.0159 0.0043 772 VAL 76 CG1 -0.0046 -0.0153 0.0052 773 VAL 76 CG2 -0.0046 -0.0136 0.0025 774 VAL 76 H -0.0056 -0.0180 0.0026 775 VAL 76 HA -0.0060 -0.0184 0.0010 776 VAL 76 HB -0.0046 -0.0161 0.0061 777 VAL 76 HG11 -0.0040 -0.0134 0.0062 778 VAL 76 HG12 -0.0048 -0.0152 0.0034 779 VAL 76 HG13 -0.0048 -0.0169 0.0065 780 VAL 76 HG21 -0.0040 -0.0118 0.0036 781 VAL 76 HG22 -0.0047 -0.0140 0.0020 782 VAL 76 HG23 -0.0048 -0.0134 0.0007 783 GLU 77 N -0.0076 -0.0082 0.0034 784 GLU 77 CA -0.0070 -0.0086 0.0039 785 GLU 77 C -0.0071 -0.0129 0.0068 786 GLU 77 O -0.0037 -0.0147 0.0086 787 GLU 77 CB -0.0026 -0.0063 0.0029 788 GLU 77 CG 0.0018 -0.0069 0.0041 789 GLU 77 CD 0.0060 -0.0047 0.0032 790 GLU 77 OE1 0.0066 -0.0011 0.0009 791 GLU 77 OE2 0.0088 -0.0064 0.0049 792 GLU 77 H -0.0061 -0.0099 0.0049 793 GLU 77 HA -0.0100 -0.0075 0.0026 794 GLU 77 HB2 -0.0021 -0.0071 0.0036 795 GLU 77 HB3 -0.0031 -0.0032 0.0007 796 GLU 77 HG2 0.0015 -0.0060 0.0034 797 GLU 77 HG3 0.0023 -0.0099 0.0063 798 PRO 78 N -0.0194 0.0026 0.0113 799 PRO 78 CA -0.0213 -0.0016 0.0172 800 PRO 78 C -0.0181 0.0002 0.0133 801 PRO 78 O -0.0208 0.0063 0.0077 802 PRO 78 CB -0.0320 0.0006 0.0205 803 PRO 78 CG -0.0349 0.0041 0.0180 804 PRO 78 CD -0.0279 0.0074 0.0104 805 PRO 78 HA -0.0180 -0.0071 0.0216 806 PRO 78 HB2 -0.0349 0.0040 0.0181 807 PRO 78 HB3 -0.0338 -0.0040 0.0267 808 PRO 78 HG2 -0.0418 0.0080 0.0172 809 PRO 78 HG3 -0.0348 0.0004 0.0222 810 PRO 78 HD2 -0.0299 0.0125 0.0056 811 PRO 78 HD3 -0.0271 0.0076 0.0097 812 TYR 79 N -0.0036 -0.0003 0.0182 813 TYR 79 CA -0.0057 0.0002 0.0163 814 TYR 79 C -0.0138 -0.0045 0.0238 815 TYR 79 O -0.0106 -0.0079 0.0325 816 TYR 79 CB 0.0051 0.0020 0.0163 817 TYR 79 CG 0.0125 0.0071 0.0078 818 TYR 79 CD1 0.0205 0.0077 0.0094 819 TYR 79 CD2 0.0112 0.0113 -0.0018 820 TYR 79 CE1 0.0271 0.0123 0.0016 821 TYR 79 CE2 0.0178 0.0159 -0.0096 822 TYR 79 CZ 0.0258 0.0164 -0.0079 823 TYR 79 OH 0.0324 0.0210 -0.0157 824 TYR 79 H -0.0067 0.0016 0.0131 825 TYR 79 HA -0.0101 0.0030 0.0088 826 TYR 79 HB2 0.0099 -0.0006 0.0236 827 TYR 79 HB3 0.0028 0.0021 0.0152 828 TYR 79 HD1 0.0216 0.0044 0.0168 829 TYR 79 HD2 0.0050 0.0109 -0.0032 830 TYR 79 HE1 0.0334 0.0126 0.0031 831 TYR 79 HE2 0.0168 0.0191 -0.0171 832 TYR 79 HH 0.0273 0.0229 -0.0217 833 SER 80 N 0.0109 -0.0051 0.0056 834 SER 80 CA 0.0121 -0.0054 0.0041 835 SER 80 C 0.0131 -0.0054 0.0026 836 SER 80 O 0.0126 -0.0049 0.0027 837 SER 80 CB 0.0130 -0.0071 0.0049 838 SER 80 OG 0.0142 -0.0075 0.0035 839 SER 80 H 0.0111 -0.0061 0.0064 840 SER 80 HA 0.0117 -0.0044 0.0035 841 SER 80 HB2 0.0123 -0.0071 0.0060 842 SER 80 HB3 0.0135 -0.0081 0.0054 843 SER 80 HG 0.0137 -0.0068 0.0034 844 GLN 81 N 0.0193 -0.0100 0.0002 845 GLN 81 CA 0.0172 -0.0099 0.0005 846 GLN 81 C 0.0168 -0.0078 0.0015 847 GLN 81 O 0.0183 -0.0066 0.0017 848 GLN 81 CB 0.0170 -0.0111 0.0001 849 GLN 81 CG 0.0147 -0.0113 0.0003 850 GLN 81 CD 0.0145 -0.0123 -0.0000 851 GLN 81 OE1 0.0159 -0.0121 -0.0002 852 GLN 81 NE2 0.0127 -0.0133 -0.0002 853 GLN 81 H 0.0205 -0.0105 -0.0002 854 GLN 81 HA 0.0161 -0.0105 0.0005 855 GLN 81 HB2 0.0175 -0.0126 -0.0006 856 GLN 81 HB3 0.0180 -0.0104 0.0002 857 GLN 81 HG2 0.0142 -0.0098 0.0010 858 GLN 81 HG3 0.0138 -0.0121 0.0001 859 GLN 81 HE21 0.0117 -0.0133 -0.0001 860 GLN 81 HE22 0.0125 -0.0139 -0.0004 861 GLU 82 N 0.0056 -0.0041 0.0039 862 GLU 82 CA 0.0038 -0.0004 0.0018 863 GLU 82 C 0.0067 0.0034 0.0016 864 GLU 82 O 0.0058 0.0069 -0.0001 865 GLU 82 CB 0.0025 -0.0006 0.0014 866 GLU 82 CG 0.0005 0.0030 -0.0007 867 GLU 82 CD -0.0008 0.0024 -0.0011 868 GLU 82 OE1 0.0017 0.0030 -0.0002 869 GLU 82 OE2 -0.0045 0.0014 -0.0021 870 GLU 82 H 0.0045 -0.0054 0.0040 871 GLU 82 HA 0.0011 -0.0004 0.0008 872 GLU 82 HB2 0.0003 -0.0033 0.0015 873 GLU 82 HB3 0.0051 -0.0009 0.0025 874 GLU 82 HG2 0.0027 0.0058 -0.0009 875 GLU 82 HG3 -0.0021 0.0033 -0.0019 876 GLU 83 N 0.0007 0.0074 0.0097 877 GLU 83 CA -0.0018 0.0097 0.0129 878 GLU 83 C -0.0063 0.0103 0.0102 879 GLU 83 O -0.0102 0.0121 0.0111 880 GLU 83 CB 0.0015 0.0097 0.0156 881 GLU 83 CG -0.0007 0.0120 0.0191 882 GLU 83 CD 0.0029 0.0119 0.0220 883 GLU 83 OE1 0.0044 0.0107 0.0203 884 GLU 83 OE2 0.0043 0.0132 0.0261 885 GLU 83 H 0.0015 0.0059 0.0069 886 GLU 83 HA -0.0030 0.0112 0.0153 887 GLU 83 HB2 0.0045 0.0094 0.0175 888 GLU 83 HB3 0.0029 0.0081 0.0131 889 GLU 83 HG2 -0.0034 0.0122 0.0172 890 GLU 83 HG3 -0.0024 0.0136 0.0213 891 ALA 84 N -0.0013 0.0065 0.0116 892 ALA 84 CA -0.0037 0.0063 0.0099 893 ALA 84 C -0.0077 0.0022 0.0052 894 ALA 84 O -0.0090 -0.0001 0.0033 895 ALA 84 CB 0.0010 0.0043 0.0120 896 ALA 84 H 0.0019 0.0031 0.0121 897 ALA 84 HA -0.0060 0.0108 0.0105 898 ALA 84 HB1 -0.0009 0.0041 0.0107 899 ALA 84 HB2 0.0035 -0.0001 0.0116 900 ALA 84 HB3 0.0035 0.0076 0.0153 901 GLU 85 N -0.0016 0.0009 0.0061 902 GLU 85 CA -0.0052 -0.0021 0.0034 903 GLU 85 C -0.0056 0.0014 0.0062 904 GLU 85 O -0.0007 0.0015 0.0067 905 GLU 85 CB -0.0012 -0.0075 -0.0007 906 GLU 85 CG -0.0051 -0.0115 -0.0043 907 GLU 85 CD -0.0061 -0.0103 -0.0034 908 GLU 85 OE1 -0.0014 -0.0119 -0.0043 909 GLU 85 OE2 -0.0114 -0.0078 -0.0018 910 GLU 85 H 0.0002 0.0041 0.0089 911 GLU 85 HA -0.0103 -0.0028 0.0024 912 GLU 85 HB2 0.0003 -0.0093 -0.0020 913 GLU 85 HB3 0.0034 -0.0067 0.0003 914 GLU 85 HG2 -0.0101 -0.0108 -0.0042 915 GLU 85 HG3 -0.0029 -0.0155 -0.0073 916 ARG 86 N -0.0179 0.0118 0.0084 917 ARG 86 CA -0.0215 0.0132 0.0045 918 ARG 86 C -0.0220 0.0130 0.0068 919 ARG 86 O -0.0178 0.0116 0.0097 920 ARG 86 CB -0.0193 0.0135 -0.0026 921 ARG 86 CG -0.0122 0.0120 -0.0039 922 ARG 86 CD -0.0093 0.0110 -0.0020 923 ARG 86 NE -0.0025 0.0095 -0.0028 924 ARG 86 CZ 0.0015 0.0082 -0.0006 925 ARG 86 NH1 -0.0005 0.0083 0.0025 926 ARG 86 NH2 0.0075 0.0069 -0.0014 927 ARG 86 H -0.0136 0.0106 0.0093 928 ARG 86 HA -0.0261 0.0143 0.0048 929 ARG 86 HB2 -0.0213 0.0144 -0.0051 930 ARG 86 HB3 -0.0210 0.0142 -0.0045 931 ARG 86 HG2 -0.0113 0.0124 -0.0089 932 ARG 86 HG3 -0.0101 0.0111 -0.0013 933 ARG 86 HD2 -0.0105 0.0107 0.0028 934 ARG 86 HD3 -0.0110 0.0118 -0.0050 935 ARG 86 HE -0.0010 0.0094 -0.0052 936 ARG 86 HH11 -0.0050 0.0093 0.0033 937 ARG 86 HH12 0.0025 0.0074 0.0042 938 ARG 86 HH21 0.0091 0.0067 -0.0037 939 ARG 86 HH22 0.0107 0.0059 0.0003 940 ALA 87 N -0.0025 0.0062 0.0038 941 ALA 87 CA 0.0228 0.0063 0.0038 942 ALA 87 C 0.0368 -0.0205 -0.0213 943 ALA 87 O 0.0436 -0.0297 -0.0300 944 ALA 87 CB 0.0051 0.0146 0.0117 945 ALA 87 H -0.0255 -0.0009 -0.0028 946 ALA 87 HA 0.0436 0.0193 0.0160 947 ALA 87 HB1 -0.0161 0.0019 -0.0002 948 ALA 87 HB2 -0.0048 0.0336 0.0295 949 ALA 87 HB3 0.0235 0.0142 0.0112 950 ALA 88 N 0.0153 0.0028 0.0210 951 ALA 88 CA 0.0229 -0.0067 -0.0011 952 ALA 88 C 0.0513 -0.0236 -0.0001 953 ALA 88 O 0.0623 -0.0336 -0.0151 954 ALA 88 CB 0.0102 -0.0055 -0.0306 955 ALA 88 H 0.0228 -0.0012 0.0231 956 ALA 88 HA 0.0170 -0.0022 0.0033 957 ALA 88 HB1 0.0161 -0.0102 -0.0354 958 ALA 88 HB2 -0.0101 0.0067 -0.0307 959 ALA 88 HB3 0.0160 -0.0126 -0.0467 960 GLY 89 N -0.0295 -0.0012 0.0118 961 GLY 89 CA -0.0207 -0.0048 0.0125 962 GLY 89 C -0.0228 -0.0050 0.0170 963 GLY 89 O -0.0283 -0.0020 0.0129 964 GLY 89 H -0.0356 0.0001 0.0158 965 GLY 89 HA2 -0.0171 -0.0043 0.0050 966 GLY 89 HA3 -0.0161 -0.0077 0.0173 967 MET 90 N -0.0022 -0.0001 -0.0005 968 MET 90 CA -0.0016 -0.0001 -0.0005 969 MET 90 C -0.0013 -0.0005 -0.0006 970 MET 90 O -0.0012 -0.0009 -0.0008 971 MET 90 CB -0.0016 0.0001 -0.0004 972 MET 90 CG -0.0010 0.0003 -0.0003 973 MET 90 SD -0.0005 -0.0002 -0.0004 974 MET 90 CE 0.0000 0.0002 -0.0002 975 MET 90 H -0.0023 0.0001 -0.0004 976 MET 90 HA -0.0015 0.0002 -0.0003 977 MET 90 HB2 -0.0019 0.0004 -0.0003 978 MET 90 HB3 -0.0017 -0.0002 -0.0005 979 MET 90 HG2 -0.0009 0.0006 -0.0001 980 MET 90 HG3 -0.0011 0.0004 -0.0002 981 MET 90 HE1 0.0001 0.0005 -0.0001 982 MET 90 HE2 0.0004 -0.0000 -0.0003 983 MET 90 HE3 -0.0001 0.0003 -0.0002 984 GLY 91 N 0.0020 0.0023 -0.0016 985 GLY 91 CA 0.0027 -0.0014 0.0004 986 GLY 91 C 0.0056 0.0020 -0.0022 987 GLY 91 O 0.0022 0.0037 -0.0024 988 GLY 91 H -0.0007 0.0062 -0.0032 989 GLY 91 HA2 0.0059 -0.0055 0.0020 990 GLY 91 HA3 -0.0023 -0.0025 0.0021 991 SER 92 N -0.0007 -0.0007 0.0005 992 SER 92 CA 0.0008 0.0003 0.0004 993 SER 92 C 0.0017 -0.0006 -0.0013 994 SER 92 O 0.0010 -0.0015 -0.0018 995 SER 92 CB 0.0004 0.0011 0.0015 996 SER 92 OG -0.0004 0.0018 0.0031 997 SER 92 H -0.0016 -0.0014 0.0004 998 SER 92 HA 0.0016 0.0010 0.0006 999 SER 92 HB2 -0.0004 0.0003 0.0013 1000 SER 92 HB3 0.0016 0.0018 0.0015 1001 SER 92 HG -0.0007 0.0015 0.0029 1002 TYR 93 N -0.0008 0.0003 0.0001 1003 TYR 93 CA -0.0006 0.0002 0.0001 1004 TYR 93 C -0.0003 0.0002 0.0004 1005 TYR 93 O -0.0003 0.0003 0.0004 1006 TYR 93 CB -0.0005 -0.0002 -0.0001 1007 TYR 93 CG -0.0003 -0.0004 -0.0001 1008 TYR 93 CD1 -0.0004 -0.0004 -0.0002 1009 TYR 93 CD2 -0.0000 -0.0005 0.0000 1010 TYR 93 CE1 -0.0003 -0.0006 -0.0002 1011 TYR 93 CE2 0.0002 -0.0007 0.0000 1012 TYR 93 CZ 0.0001 -0.0007 -0.0001 1013 TYR 93 OH 0.0003 -0.0009 -0.0001 1014 TYR 93 H -0.0008 0.0002 0.0001 1015 TYR 93 HA -0.0006 0.0002 0.0001 1016 TYR 93 HB2 -0.0008 -0.0002 -0.0002 1017 TYR 93 HB3 -0.0004 -0.0003 -0.0001 1018 TYR 93 HD1 -0.0007 -0.0003 -0.0003 1019 TYR 93 HD2 0.0001 -0.0005 0.0001 1020 TYR 93 HE1 -0.0004 -0.0007 -0.0003 1021 TYR 93 HE2 0.0004 -0.0008 0.0001 1022 TYR 93 HH 0.0004 -0.0008 0.0001 1023 VAL 94 N -0.0005 -0.0002 -0.0000 1024 VAL 94 CA -0.0004 -0.0001 -0.0000 1025 VAL 94 C -0.0004 -0.0001 -0.0000 1026 VAL 94 O -0.0004 -0.0001 -0.0000 1027 VAL 94 CB -0.0004 -0.0001 -0.0000 1028 VAL 94 CG1 -0.0004 -0.0002 -0.0001 1029 VAL 94 CG2 -0.0004 -0.0001 -0.0000 1030 VAL 94 H -0.0005 -0.0002 -0.0000 1031 VAL 94 HA -0.0004 -0.0001 -0.0000 1032 VAL 94 HB -0.0004 -0.0001 -0.0000 1033 VAL 94 HG11 -0.0004 -0.0002 -0.0001 1034 VAL 94 HG12 -0.0004 -0.0002 -0.0001 1035 VAL 94 HG13 -0.0004 -0.0002 -0.0001 1036 VAL 94 HG21 -0.0004 -0.0001 -0.0000 1037 VAL 94 HG22 -0.0004 -0.0001 -0.0001 1038 VAL 94 HG23 -0.0004 -0.0001 -0.0000