1 ASP 28 N -0.1199 -0.0052 0.1175 2 ASP 28 CA -0.0980 -0.0147 0.0853 3 ASP 28 C -0.0888 0.0125 0.0603 4 ASP 28 O -0.0927 0.0204 0.0636 5 ASP 28 CB -0.0869 -0.0541 0.0820 6 ASP 28 CG -0.0642 -0.0661 0.0495 7 ASP 28 OD1 -0.0584 -0.0699 0.0415 8 ASP 28 OD2 -0.0518 -0.0739 0.0323 9 ASP 28 H -0.1266 -0.0236 0.1352 10 ASP 28 HA -0.0965 -0.0128 0.0822 11 ASP 28 HB2 -0.0936 -0.0730 0.0999 12 ASP 28 HB3 -0.0890 -0.0558 0.0860 13 PRO 29 N -0.0957 0.0257 0.0405 14 PRO 29 CA -0.0838 0.0524 0.0151 15 PRO 29 C -0.0617 0.0284 0.0016 16 PRO 29 O -0.0415 -0.0031 -0.0064 17 PRO 29 CB -0.0672 0.0717 -0.0121 18 PRO 29 CG -0.0787 0.0652 0.0037 19 PRO 29 CD -0.0876 0.0270 0.0310 20 PRO 29 HA -0.1017 0.0759 0.0242 21 PRO 29 HB2 -0.0433 0.0567 -0.0317 22 PRO 29 HB3 -0.0721 0.1039 -0.0214 23 PRO 29 HG2 -0.0612 0.0615 -0.0141 24 PRO 29 HG3 -0.0980 0.0910 0.0133 25 PRO 29 HD2 -0.0690 0.0005 0.0225 26 PRO 29 HD3 -0.1068 0.0298 0.0511 27 ASN 30 N -0.0513 0.0116 0.0160 28 ASN 30 CA -0.0441 0.0052 0.0060 29 ASN 30 C -0.0491 -0.0094 0.0044 30 ASN 30 O -0.0486 -0.0182 -0.0001 31 ASN 30 CB -0.0348 0.0073 -0.0021 32 ASN 30 CG -0.0267 0.0008 -0.0131 33 ASN 30 OD1 -0.0196 0.0066 -0.0174 34 ASN 30 ND2 -0.0274 -0.0110 -0.0177 35 ASN 30 H -0.0516 0.0198 0.0200 36 ASN 30 HA -0.0414 0.0100 0.0056 37 ASN 30 HB2 -0.0312 0.0178 -0.0009 38 ASN 30 HB3 -0.0381 0.0036 -0.0006 39 ASN 30 HD21 -0.0331 -0.0150 -0.0139 40 ASN 30 HD22 -0.0223 -0.0154 -0.0246 41 ALA 31 N -0.0476 -0.0219 -0.0012 42 ALA 31 CA -0.0505 -0.0272 -0.0033 43 ALA 31 C -0.0491 -0.0244 -0.0016 44 ALA 31 O -0.0511 -0.0239 0.0050 45 ALA 31 CB -0.0560 -0.0332 0.0011 46 ALA 31 H -0.0457 -0.0175 0.0019 47 ALA 31 HA -0.0497 -0.0292 -0.0095 48 ALA 31 HB1 -0.0581 -0.0372 -0.0007 49 ALA 31 HB2 -0.0569 -0.0314 0.0074 50 ALA 31 HB3 -0.0570 -0.0353 -0.0001 51 GLU 32 N -0.0404 -0.0363 -0.0149 52 GLU 32 CA -0.0372 -0.0359 -0.0184 53 GLU 32 C -0.0358 -0.0269 -0.0200 54 GLU 32 O -0.0321 -0.0249 -0.0240 55 GLU 32 CB -0.0406 -0.0395 -0.0146 56 GLU 32 CG -0.0462 -0.0351 -0.0087 57 GLU 32 CD -0.0492 -0.0388 -0.0053 58 GLU 32 OE1 -0.0482 -0.0361 -0.0065 59 GLU 32 OE2 -0.0527 -0.0445 -0.0016 60 GLU 32 H -0.0445 -0.0367 -0.0105 61 GLU 32 HA -0.0335 -0.0396 -0.0223 62 GLU 32 HB2 -0.0381 -0.0392 -0.0174 63 GLU 32 HB3 -0.0415 -0.0459 -0.0136 64 GLU 32 HG2 -0.0489 -0.0355 -0.0057 65 GLU 32 HG3 -0.0454 -0.0286 -0.0096 66 PHE 33 N -0.0325 -0.0208 -0.0084 67 PHE 33 CA -0.0331 -0.0161 -0.0098 68 PHE 33 C -0.0313 -0.0190 -0.0089 69 PHE 33 O -0.0305 -0.0249 -0.0072 70 PHE 33 CB -0.0404 -0.0137 -0.0107 71 PHE 33 CG -0.0455 -0.0190 -0.0094 72 PHE 33 CD1 -0.0473 -0.0216 -0.0087 73 PHE 33 CD2 -0.0485 -0.0215 -0.0088 74 PHE 33 CE1 -0.0519 -0.0265 -0.0074 75 PHE 33 CE2 -0.0531 -0.0264 -0.0075 76 PHE 33 CZ -0.0548 -0.0289 -0.0068 77 PHE 33 H -0.0358 -0.0243 -0.0076 78 PHE 33 HA -0.0299 -0.0121 -0.0108 79 PHE 33 HB2 -0.0410 -0.0106 -0.0116 80 PHE 33 HB3 -0.0414 -0.0110 -0.0115 81 PHE 33 HD1 -0.0450 -0.0197 -0.0092 82 PHE 33 HD2 -0.0472 -0.0196 -0.0093 83 PHE 33 HE1 -0.0532 -0.0284 -0.0069 84 PHE 33 HE2 -0.0554 -0.0283 -0.0070 85 PHE 33 HZ -0.0584 -0.0328 -0.0059 86 ASP 34 N -0.0243 -0.0055 -0.0114 87 ASP 34 CA -0.0214 -0.0056 -0.0123 88 ASP 34 C -0.0291 -0.0021 -0.0103 89 ASP 34 O -0.0338 0.0046 -0.0097 90 ASP 34 CB -0.0136 0.0005 -0.0158 91 ASP 34 CG -0.0097 -0.0001 -0.0169 92 ASP 34 OD1 -0.0136 0.0037 -0.0162 93 ASP 34 OD2 -0.0027 -0.0047 -0.0186 94 ASP 34 H -0.0248 0.0004 -0.0120 95 ASP 34 HA -0.0195 -0.0125 -0.0120 96 ASP 34 HB2 -0.0086 -0.0014 -0.0171 97 ASP 34 HB3 -0.0158 0.0076 -0.0160 98 PRO 35 N -0.0451 -0.0252 0.0024 99 PRO 35 CA -0.0576 -0.0235 0.0033 100 PRO 35 C -0.0554 -0.0143 0.0012 101 PRO 35 O -0.0652 -0.0126 0.0019 102 PRO 35 CB -0.0607 -0.0385 0.0066 103 PRO 35 CG -0.0462 -0.0453 0.0065 104 PRO 35 CD -0.0373 -0.0386 0.0043 105 PRO 35 HA -0.0666 -0.0191 0.0033 106 PRO 35 HB2 -0.0663 -0.0385 0.0072 107 PRO 35 HB3 -0.0671 -0.0434 0.0083 108 PRO 35 HG2 -0.0417 -0.0433 0.0057 109 PRO 35 HG3 -0.0470 -0.0564 0.0089 110 PRO 35 HD2 -0.0267 -0.0366 0.0028 111 PRO 35 HD3 -0.0370 -0.0451 0.0056 112 ASP 36 N -0.0256 0.0152 -0.0065 113 ASP 36 CA -0.0229 0.0293 -0.0105 114 ASP 36 C -0.0233 0.0365 -0.0105 115 ASP 36 O -0.0252 0.0489 -0.0088 116 ASP 36 CB -0.0139 0.0296 -0.0218 117 ASP 36 CG -0.0106 0.0440 -0.0266 118 ASP 36 OD1 -0.0136 0.0515 -0.0234 119 ASP 36 OD2 -0.0050 0.0479 -0.0339 120 ASP 36 H -0.0215 0.0082 -0.0112 121 ASP 36 HA -0.0274 0.0345 -0.0053 122 ASP 36 HB2 -0.0140 0.0249 -0.0214 123 ASP 36 HB3 -0.0095 0.0237 -0.0269 124 LEU 37 N -0.0178 0.0275 -0.0150 125 LEU 37 CA -0.0178 0.0304 -0.0148 126 LEU 37 C -0.0222 0.0306 -0.0100 127 LEU 37 O -0.0247 0.0260 -0.0076 128 LEU 37 CB -0.0149 0.0272 -0.0182 129 LEU 37 CG -0.0101 0.0284 -0.0233 130 LEU 37 CD1 -0.0089 0.0352 -0.0242 131 LEU 37 CD2 -0.0086 0.0256 -0.0252 132 LEU 37 H -0.0177 0.0230 -0.0155 133 LEU 37 HA -0.0166 0.0350 -0.0158 134 LEU 37 HB2 -0.0157 0.0224 -0.0177 135 LEU 37 HB3 -0.0158 0.0287 -0.0172 136 LEU 37 HG -0.0086 0.0262 -0.0251 137 LEU 37 HD11 -0.0055 0.0358 -0.0278 138 LEU 37 HD12 -0.0103 0.0376 -0.0224 139 LEU 37 HD13 -0.0097 0.0370 -0.0231 140 LEU 37 HD21 -0.0053 0.0265 -0.0288 141 LEU 37 HD22 -0.0093 0.0207 -0.0248 142 LEU 37 HD23 -0.0101 0.0277 -0.0234 143 PRO 38 N -0.0155 0.0296 -0.0090 144 PRO 38 CA -0.0149 0.0285 -0.0062 145 PRO 38 C -0.0152 0.0253 -0.0059 146 PRO 38 O -0.0160 0.0237 -0.0076 147 PRO 38 CB -0.0147 0.0292 -0.0059 148 PRO 38 CG -0.0149 0.0315 -0.0080 149 PRO 38 CD -0.0157 0.0309 -0.0103 150 PRO 38 HA -0.0142 0.0295 -0.0047 151 PRO 38 HB2 -0.0150 0.0273 -0.0063 152 PRO 38 HB3 -0.0139 0.0299 -0.0039 153 PRO 38 HG2 -0.0152 0.0314 -0.0087 154 PRO 38 HG3 -0.0144 0.0335 -0.0072 155 PRO 38 HD2 -0.0164 0.0296 -0.0118 156 PRO 38 HD3 -0.0157 0.0329 -0.0114 157 GLY 39 N -0.0168 0.0250 -0.0083 158 GLY 39 CA -0.0164 0.0226 -0.0080 159 GLY 39 C -0.0174 0.0228 -0.0091 160 GLY 39 O -0.0178 0.0207 -0.0096 161 GLY 39 H -0.0159 0.0265 -0.0072 162 GLY 39 HA2 -0.0149 0.0224 -0.0064 163 GLY 39 HA3 -0.0168 0.0208 -0.0085 164 GLY 40 N -0.0269 0.0234 -0.0118 165 GLY 40 CA -0.0248 0.0190 -0.0138 166 GLY 40 C -0.0203 0.0200 -0.0153 167 GLY 40 O -0.0183 0.0167 -0.0169 168 GLY 40 H -0.0268 0.0243 -0.0116 169 GLY 40 HA2 -0.0241 0.0169 -0.0146 170 GLY 40 HA3 -0.0273 0.0168 -0.0134 171 GLY 41 N -0.0166 0.0217 -0.0152 172 GLY 41 CA -0.0143 0.0223 -0.0170 173 GLY 41 C -0.0148 0.0208 -0.0170 174 GLY 41 O -0.0130 0.0207 -0.0185 175 GLY 41 H -0.0175 0.0235 -0.0140 176 GLY 41 HA2 -0.0137 0.0249 -0.0170 177 GLY 41 HA3 -0.0129 0.0211 -0.0186 178 LEU 42 N -0.0180 0.0211 -0.0173 179 LEU 42 CA -0.0191 0.0215 -0.0171 180 LEU 42 C -0.0200 0.0253 -0.0161 181 LEU 42 O -0.0205 0.0261 -0.0159 182 LEU 42 CB -0.0224 0.0190 -0.0172 183 LEU 42 CG -0.0219 0.0151 -0.0181 184 LEU 42 CD1 -0.0254 0.0130 -0.0181 185 LEU 42 CD2 -0.0189 0.0136 -0.0189 186 LEU 42 H -0.0199 0.0207 -0.0172 187 LEU 42 HA -0.0170 0.0206 -0.0176 188 LEU 42 HB2 -0.0245 0.0200 -0.0167 189 LEU 42 HB3 -0.0232 0.0194 -0.0170 190 LEU 42 HG -0.0213 0.0148 -0.0183 191 LEU 42 HD11 -0.0251 0.0103 -0.0188 192 LEU 42 HD12 -0.0263 0.0134 -0.0179 193 LEU 42 HD13 -0.0275 0.0140 -0.0176 194 LEU 42 HD21 -0.0195 0.0139 -0.0187 195 LEU 42 HD22 -0.0187 0.0108 -0.0195 196 LEU 42 HD23 -0.0164 0.0149 -0.0189 197 HIS 43 N -0.0116 0.0163 -0.0125 198 HIS 43 CA -0.0112 0.0145 -0.0118 199 HIS 43 C -0.0119 0.0138 -0.0117 200 HIS 43 O -0.0111 0.0142 -0.0116 201 HIS 43 CB -0.0092 0.0143 -0.0112 202 HIS 43 CG -0.0083 0.0151 -0.0113 203 HIS 43 ND1 -0.0083 0.0143 -0.0110 204 HIS 43 CD2 -0.0074 0.0166 -0.0116 205 HIS 43 CE1 -0.0074 0.0152 -0.0111 206 HIS 43 NE2 -0.0068 0.0167 -0.0115 207 HIS 43 H -0.0112 0.0171 -0.0127 208 HIS 43 HA -0.0119 0.0138 -0.0117 209 HIS 43 HB2 -0.0086 0.0148 -0.0112 210 HIS 43 HB3 -0.0091 0.0129 -0.0107 211 HIS 43 HD1 -0.0089 0.0131 -0.0107 212 HIS 43 HD2 -0.0071 0.0176 -0.0119 213 HIS 43 HE1 -0.0071 0.0149 -0.0109 214 HIS 43 HE2 -0.0063 0.0177 -0.0117 215 ARG 44 N -0.0092 0.0141 -0.0099 216 ARG 44 CA -0.0090 0.0138 -0.0093 217 ARG 44 C -0.0101 0.0121 -0.0073 218 ARG 44 O -0.0119 0.0113 -0.0069 219 ARG 44 CB -0.0106 0.0144 -0.0109 220 ARG 44 CG -0.0103 0.0161 -0.0132 221 ARG 44 CD -0.0122 0.0165 -0.0147 222 ARG 44 NE -0.0122 0.0181 -0.0170 223 ARG 44 CZ -0.0134 0.0188 -0.0186 224 ARG 44 NH1 -0.0148 0.0181 -0.0182 225 ARG 44 NH2 -0.0133 0.0202 -0.0206 226 ARG 44 H -0.0109 0.0137 -0.0100 227 ARG 44 HA -0.0071 0.0142 -0.0091 228 ARG 44 HB2 -0.0125 0.0137 -0.0107 229 ARG 44 HB3 -0.0100 0.0144 -0.0106 230 ARG 44 HG2 -0.0084 0.0168 -0.0135 231 ARG 44 HG3 -0.0107 0.0161 -0.0135 232 ARG 44 HD2 -0.0140 0.0157 -0.0144 233 ARG 44 HD3 -0.0117 0.0165 -0.0144 234 ARG 44 HE -0.0111 0.0186 -0.0173 235 ARG 44 HH11 -0.0150 0.0170 -0.0167 236 ARG 44 HH12 -0.0158 0.0186 -0.0194 237 ARG 44 HH21 -0.0122 0.0208 -0.0210 238 ARG 44 HH22 -0.0142 0.0207 -0.0219 239 CYS 45 N -0.0031 0.0064 -0.0054 240 CYS 45 CA -0.0045 0.0043 -0.0043 241 CYS 45 C -0.0068 0.0047 -0.0043 242 CYS 45 O -0.0065 0.0049 -0.0044 243 CYS 45 CB -0.0029 0.0021 -0.0033 244 CYS 45 SG -0.0048 -0.0005 -0.0018 245 CYS 45 H -0.0020 0.0068 -0.0057 246 CYS 45 HA -0.0051 0.0043 -0.0042 247 CYS 45 HB2 -0.0014 0.0019 -0.0033 248 CYS 45 HB3 -0.0019 0.0024 -0.0035 249 LEU 46 N -0.0005 0.0078 -0.0041 250 LEU 46 CA -0.0023 0.0081 -0.0031 251 LEU 46 C -0.0026 0.0060 -0.0016 252 LEU 46 O -0.0030 0.0058 -0.0011 253 LEU 46 CB -0.0044 0.0095 -0.0028 254 LEU 46 CG -0.0044 0.0117 -0.0043 255 LEU 46 CD1 -0.0064 0.0128 -0.0037 256 LEU 46 CD2 -0.0041 0.0130 -0.0054 257 LEU 46 H -0.0008 0.0082 -0.0042 258 LEU 46 HA -0.0020 0.0089 -0.0039 259 LEU 46 HB2 -0.0047 0.0087 -0.0020 260 LEU 46 HB3 -0.0057 0.0097 -0.0020 261 LEU 46 HG -0.0030 0.0114 -0.0050 262 LEU 46 HD11 -0.0065 0.0120 -0.0031 263 LEU 46 HD12 -0.0064 0.0144 -0.0048 264 LEU 46 HD13 -0.0078 0.0129 -0.0029 265 LEU 46 HD21 -0.0025 0.0122 -0.0058 266 LEU 46 HD22 -0.0053 0.0131 -0.0046 267 LEU 46 HD23 -0.0041 0.0145 -0.0064 268 ALA 47 N 0.0043 -0.0004 0.0046 269 ALA 47 CA 0.0030 -0.0024 0.0043 270 ALA 47 C 0.0034 -0.0015 0.0044 271 ALA 47 O 0.0020 -0.0026 0.0041 272 ALA 47 CB 0.0042 -0.0053 0.0043 273 ALA 47 H 0.0058 -0.0010 0.0049 274 ALA 47 HA 0.0008 -0.0024 0.0038 275 ALA 47 HB1 0.0032 -0.0068 0.0041 276 ALA 47 HB2 0.0064 -0.0053 0.0048 277 ALA 47 HB3 0.0039 -0.0059 0.0043 278 CYS 48 N -0.0046 0.0018 0.0007 279 CYS 48 CA -0.0045 0.0023 0.0008 280 CYS 48 C -0.0053 0.0051 0.0013 281 CYS 48 O -0.0057 0.0057 0.0014 282 CYS 48 CB -0.0018 0.0014 0.0008 283 CYS 48 SG -0.0012 -0.0020 0.0002 284 CYS 48 H -0.0033 0.0027 0.0009 285 CYS 48 HA -0.0060 0.0011 0.0004 286 CYS 48 HB2 0.0001 0.0021 0.0011 287 CYS 48 HB3 -0.0018 0.0018 0.0009 288 ALA 49 N -0.0088 0.0102 -0.0033 289 ALA 49 CA -0.0092 0.0126 -0.0037 290 ALA 49 C -0.0068 0.0135 -0.0041 291 ALA 49 O -0.0069 0.0152 -0.0043 292 ALA 49 CB -0.0112 0.0127 -0.0035 293 ALA 49 H -0.0091 0.0100 -0.0032 294 ALA 49 HA -0.0096 0.0137 -0.0038 295 ALA 49 HB1 -0.0108 0.0116 -0.0033 296 ALA 49 HB2 -0.0128 0.0121 -0.0032 297 ALA 49 HB3 -0.0115 0.0145 -0.0038 298 ARG 50 N -0.0094 0.0109 -0.0046 299 ARG 50 CA -0.0066 0.0113 -0.0054 300 ARG 50 C -0.0060 0.0130 -0.0066 301 ARG 50 O -0.0071 0.0129 -0.0063 302 ARG 50 CB -0.0046 0.0090 -0.0044 303 ARG 50 CG -0.0049 0.0073 -0.0033 304 ARG 50 CD -0.0029 0.0050 -0.0023 305 ARG 50 NE -0.0032 0.0033 -0.0012 306 ARG 50 CZ -0.0018 0.0011 -0.0001 307 ARG 50 NH1 -0.0000 0.0004 -0.0001 308 ARG 50 NH2 -0.0023 -0.0004 0.0009 309 ARG 50 H -0.0101 0.0099 -0.0038 310 ARG 50 HA -0.0063 0.0122 -0.0060 311 ARG 50 HB2 -0.0050 0.0081 -0.0038 312 ARG 50 HB3 -0.0026 0.0095 -0.0051 313 ARG 50 HG2 -0.0045 0.0081 -0.0039 314 ARG 50 HG3 -0.0070 0.0068 -0.0025 315 ARG 50 HD2 -0.0033 0.0042 -0.0017 316 ARG 50 HD3 -0.0009 0.0055 -0.0031 317 ARG 50 HE -0.0045 0.0039 -0.0012 318 ARG 50 HH11 0.0004 0.0015 -0.0008 319 ARG 50 HH12 0.0011 -0.0012 0.0007 320 ARG 50 HH21 -0.0036 0.0001 0.0009 321 ARG 50 HH22 -0.0013 -0.0020 0.0017 322 TYR 51 N -0.0090 0.0211 -0.0115 323 TYR 51 CA -0.0087 0.0212 -0.0113 324 TYR 51 C -0.0070 0.0212 -0.0094 325 TYR 51 O -0.0056 0.0224 -0.0089 326 TYR 51 CB -0.0086 0.0231 -0.0129 327 TYR 51 CG -0.0103 0.0233 -0.0148 328 TYR 51 CD1 -0.0104 0.0242 -0.0157 329 TYR 51 CD2 -0.0117 0.0227 -0.0158 330 TYR 51 CE1 -0.0118 0.0244 -0.0174 331 TYR 51 CE2 -0.0132 0.0228 -0.0176 332 TYR 51 CZ -0.0133 0.0237 -0.0184 333 TYR 51 OH -0.0147 0.0239 -0.0202 334 TYR 51 H -0.0082 0.0223 -0.0117 335 TYR 51 HA -0.0098 0.0200 -0.0114 336 TYR 51 HB2 -0.0075 0.0244 -0.0127 337 TYR 51 HB3 -0.0085 0.0232 -0.0128 338 TYR 51 HD1 -0.0092 0.0247 -0.0149 339 TYR 51 HD2 -0.0117 0.0220 -0.0152 340 TYR 51 HE1 -0.0119 0.0250 -0.0181 341 TYR 51 HE2 -0.0143 0.0223 -0.0184 342 TYR 51 HH -0.0143 0.0252 -0.0208 343 PHE 52 N -0.0034 0.0132 -0.0085 344 PHE 52 CA -0.0010 0.0126 -0.0081 345 PHE 52 C 0.0001 0.0145 -0.0093 346 PHE 52 O -0.0014 0.0157 -0.0100 347 PHE 52 CB -0.0012 0.0105 -0.0069 348 PHE 52 CG -0.0022 0.0085 -0.0057 349 PHE 52 CD1 -0.0049 0.0082 -0.0055 350 PHE 52 CD2 -0.0006 0.0069 -0.0048 351 PHE 52 CE1 -0.0058 0.0064 -0.0045 352 PHE 52 CE2 -0.0015 0.0050 -0.0037 353 PHE 52 CZ -0.0042 0.0048 -0.0035 354 PHE 52 H -0.0049 0.0134 -0.0086 355 PHE 52 HA 0.0003 0.0122 -0.0079 356 PHE 52 HB2 -0.0025 0.0109 -0.0072 357 PHE 52 HB3 0.0007 0.0101 -0.0067 358 PHE 52 HD1 -0.0062 0.0095 -0.0063 359 PHE 52 HD2 0.0015 0.0071 -0.0049 360 PHE 52 HE1 -0.0079 0.0062 -0.0043 361 PHE 52 HE2 -0.0002 0.0038 -0.0030 362 PHE 52 HZ -0.0049 0.0033 -0.0027 363 ILE 53 N -0.0028 0.0163 -0.0058 364 ILE 53 CA -0.0001 0.0191 -0.0046 365 ILE 53 C 0.0018 0.0174 -0.0039 366 ILE 53 O 0.0028 0.0197 -0.0034 367 ILE 53 CB 0.0030 0.0203 -0.0032 368 ILE 53 CG1 0.0052 0.0164 -0.0025 369 ILE 53 CG2 0.0013 0.0229 -0.0038 370 ILE 53 CD1 0.0084 0.0173 -0.0012 371 ILE 53 H -0.0023 0.0153 -0.0057 372 ILE 53 HA -0.0017 0.0219 -0.0051 373 ILE 53 HB 0.0050 0.0222 -0.0023 374 ILE 53 HG12 0.0031 0.0144 -0.0035 375 ILE 53 HG13 0.0064 0.0147 -0.0021 376 ILE 53 HG21 -0.0009 0.0211 -0.0048 377 ILE 53 HG22 -0.0000 0.0257 -0.0042 378 ILE 53 HG23 0.0035 0.0237 -0.0029 379 ILE 53 HD11 0.0105 0.0191 -0.0002 380 ILE 53 HD12 0.0097 0.0144 -0.0007 381 ILE 53 HD13 0.0072 0.0190 -0.0016 382 ASP 54 N 0.0047 0.0140 -0.0059 383 ASP 54 CA 0.0069 0.0131 -0.0057 384 ASP 54 C 0.0054 0.0094 -0.0062 385 ASP 54 O 0.0036 0.0070 -0.0067 386 ASP 54 CB 0.0112 0.0126 -0.0050 387 ASP 54 CG 0.0138 0.0119 -0.0047 388 ASP 54 OD1 0.0149 0.0148 -0.0043 389 ASP 54 OD2 0.0148 0.0085 -0.0049 390 ASP 54 H 0.0036 0.0119 -0.0063 391 ASP 54 HA 0.0066 0.0155 -0.0055 392 ASP 54 HB2 0.0122 0.0153 -0.0046 393 ASP 54 HB3 0.0116 0.0102 -0.0052 394 SER 55 N 0.0065 0.0091 -0.0074 395 SER 55 CA 0.0049 0.0062 -0.0073 396 SER 55 C 0.0066 0.0032 -0.0064 397 SER 55 O 0.0050 0.0006 -0.0063 398 SER 55 CB 0.0047 0.0065 -0.0074 399 SER 55 OG 0.0033 0.0037 -0.0072 400 SER 55 H 0.0074 0.0107 -0.0075 401 SER 55 HA 0.0024 0.0060 -0.0078 402 SER 55 HB2 0.0032 0.0085 -0.0080 403 SER 55 HB3 0.0070 0.0070 -0.0069 404 SER 55 HG 0.0049 0.0021 -0.0066 405 THR 56 N 0.0113 0.0038 -0.0056 406 THR 56 CA 0.0132 0.0009 -0.0051 407 THR 56 C 0.0120 -0.0005 -0.0050 408 THR 56 O 0.0116 -0.0034 -0.0047 409 THR 56 CB 0.0168 0.0018 -0.0048 410 THR 56 OG1 0.0178 0.0035 -0.0049 411 THR 56 CG2 0.0189 -0.0012 -0.0043 412 THR 56 H 0.0125 0.0059 -0.0057 413 THR 56 HA 0.0128 -0.0009 -0.0049 414 THR 56 HB 0.0171 0.0034 -0.0049 415 THR 56 HG1 0.0172 0.0058 -0.0052 416 THR 56 HG21 0.0214 -0.0005 -0.0041 417 THR 56 HG22 0.0185 -0.0028 -0.0041 418 THR 56 HG23 0.0182 -0.0025 -0.0042 419 ASN 57 N 0.0106 0.0023 -0.0049 420 ASN 57 CA 0.0094 0.0013 -0.0050 421 ASN 57 C 0.0063 0.0000 -0.0052 422 ASN 57 O 0.0055 -0.0022 -0.0051 423 ASN 57 CB 0.0094 0.0040 -0.0052 424 ASN 57 CG 0.0124 0.0045 -0.0049 425 ASN 57 OD1 0.0130 0.0033 -0.0048 426 ASN 57 ND2 0.0143 0.0064 -0.0049 427 ASN 57 H 0.0108 0.0044 -0.0051 428 ASN 57 HA 0.0108 -0.0004 -0.0047 429 ASN 57 HB2 0.0089 0.0060 -0.0054 430 ASN 57 HB3 0.0076 0.0037 -0.0053 431 ASN 57 HD21 0.0139 0.0074 -0.0050 432 ASN 57 HD22 0.0163 0.0067 -0.0048 433 LEU 58 N 0.0056 0.0024 -0.0055 434 LEU 58 CA 0.0030 0.0016 -0.0053 435 LEU 58 C 0.0026 -0.0008 -0.0044 436 LEU 58 O 0.0015 -0.0025 -0.0038 437 LEU 58 CB 0.0013 0.0037 -0.0060 438 LEU 58 CG -0.0016 0.0033 -0.0059 439 LEU 58 CD1 -0.0021 0.0020 -0.0055 440 LEU 58 CD2 -0.0028 0.0018 -0.0054 441 LEU 58 H 0.0061 0.0039 -0.0060 442 LEU 58 HA 0.0025 0.0013 -0.0052 443 LEU 58 HB2 0.0014 0.0052 -0.0066 444 LEU 58 HB3 0.0021 0.0044 -0.0062 445 LEU 58 HG -0.0027 0.0049 -0.0065 446 LEU 58 HD11 -0.0041 0.0017 -0.0054 447 LEU 58 HD12 -0.0011 0.0003 -0.0049 448 LEU 58 HD13 -0.0013 0.0031 -0.0059 449 LEU 58 HD21 -0.0019 0.0000 -0.0048 450 LEU 58 HD22 -0.0049 0.0016 -0.0054 451 LEU 58 HD23 -0.0025 0.0028 -0.0058 452 LYS 59 N 0.0058 -0.0036 -0.0046 453 LYS 59 CA 0.0059 -0.0059 -0.0042 454 LYS 59 C 0.0072 -0.0081 -0.0038 455 LYS 59 O 0.0064 -0.0103 -0.0035 456 LYS 59 CB 0.0072 -0.0056 -0.0042 457 LYS 59 CG 0.0100 -0.0048 -0.0042 458 LYS 59 CD 0.0110 -0.0043 -0.0043 459 LYS 59 CE 0.0110 -0.0067 -0.0039 460 LYS 59 NZ 0.0128 -0.0086 -0.0035 461 LYS 59 H 0.0067 -0.0020 -0.0048 462 LYS 59 HA 0.0040 -0.0065 -0.0042 463 LYS 59 HB2 0.0070 -0.0073 -0.0040 464 LYS 59 HB3 0.0062 -0.0041 -0.0045 465 LYS 59 HG2 0.0101 -0.0031 -0.0045 466 LYS 59 HG3 0.0111 -0.0063 -0.0040 467 LYS 59 HD2 0.0098 -0.0030 -0.0045 468 LYS 59 HD3 0.0129 -0.0035 -0.0043 469 LYS 59 HE2 0.0091 -0.0075 -0.0038 470 LYS 59 HE3 0.0116 -0.0062 -0.0039 471 LYS 59 HZ1 0.0147 -0.0079 -0.0035 472 LYS 59 HZ2 0.0128 -0.0102 -0.0033 473 LYS 59 HZ3 0.0124 -0.0092 -0.0034 474 THR 60 N 0.0094 -0.0071 -0.0035 475 THR 60 CA 0.0105 -0.0091 -0.0035 476 THR 60 C 0.0088 -0.0103 -0.0028 477 THR 60 O 0.0089 -0.0124 -0.0025 478 THR 60 CB 0.0124 -0.0086 -0.0041 479 THR 60 OG1 0.0140 -0.0075 -0.0047 480 THR 60 CG2 0.0135 -0.0107 -0.0040 481 THR 60 H 0.0100 -0.0057 -0.0039 482 THR 60 HA 0.0109 -0.0101 -0.0034 483 THR 60 HB 0.0118 -0.0076 -0.0041 484 THR 60 HG1 0.0134 -0.0060 -0.0048 485 THR 60 HG21 0.0149 -0.0103 -0.0045 486 THR 60 HG22 0.0141 -0.0118 -0.0040 487 THR 60 HG23 0.0124 -0.0115 -0.0036 488 HIS 61 N 0.0077 -0.0076 -0.0019 489 HIS 61 CA 0.0068 -0.0084 -0.0010 490 HIS 61 C 0.0054 -0.0091 0.0002 491 HIS 61 O 0.0050 -0.0104 0.0011 492 HIS 61 CB 0.0061 -0.0072 -0.0013 493 HIS 61 CG 0.0046 -0.0076 -0.0003 494 HIS 61 ND1 0.0048 -0.0090 0.0004 495 HIS 61 CD2 0.0029 -0.0070 0.0002 496 HIS 61 CE1 0.0033 -0.0091 0.0012 497 HIS 61 NE2 0.0021 -0.0079 0.0012 498 HIS 61 H 0.0077 -0.0064 -0.0026 499 HIS 61 HA 0.0078 -0.0094 -0.0009 500 HIS 61 HB2 0.0071 -0.0072 -0.0019 501 HIS 61 HB3 0.0056 -0.0059 -0.0018 502 HIS 61 HD1 0.0059 -0.0098 0.0002 503 HIS 61 HD2 0.0023 -0.0059 -0.0001 504 HIS 61 HE1 0.0028 -0.0100 0.0020 505 PHE 62 N 0.0077 -0.0104 -0.0011 506 PHE 62 CA 0.0063 -0.0111 -0.0001 507 PHE 62 C 0.0070 -0.0125 0.0005 508 PHE 62 O 0.0061 -0.0132 0.0013 509 PHE 62 CB 0.0049 -0.0099 -0.0002 510 PHE 62 CG 0.0043 -0.0084 -0.0008 511 PHE 62 CD1 0.0035 -0.0084 -0.0005 512 PHE 62 CD2 0.0043 -0.0070 -0.0017 513 PHE 62 CE1 0.0029 -0.0070 -0.0011 514 PHE 62 CE2 0.0037 -0.0056 -0.0023 515 PHE 62 CZ 0.0030 -0.0055 -0.0020 516 PHE 62 H 0.0080 -0.0095 -0.0018 517 PHE 62 HA 0.0057 -0.0116 0.0004 518 PHE 62 HB2 0.0054 -0.0097 -0.0006 519 PHE 62 HB3 0.0039 -0.0106 0.0006 520 PHE 62 HD1 0.0035 -0.0095 0.0002 521 PHE 62 HD2 0.0049 -0.0070 -0.0020 522 PHE 62 HE1 0.0023 -0.0070 -0.0009 523 PHE 62 HE2 0.0038 -0.0045 -0.0030 524 PHE 62 HZ 0.0025 -0.0044 -0.0026 525 ARG 63 N 0.0071 -0.0120 -0.0010 526 ARG 63 CA 0.0079 -0.0134 -0.0016 527 ARG 63 C 0.0070 -0.0152 -0.0012 528 ARG 63 O 0.0076 -0.0165 -0.0017 529 ARG 63 CB 0.0094 -0.0135 -0.0026 530 ARG 63 CG 0.0104 -0.0119 -0.0031 531 ARG 63 CD 0.0119 -0.0120 -0.0041 532 ARG 63 NE 0.0126 -0.0135 -0.0047 533 ARG 63 CZ 0.0140 -0.0138 -0.0057 534 ARG 63 NH1 0.0149 -0.0126 -0.0062 535 ARG 63 NH2 0.0145 -0.0153 -0.0062 536 ARG 63 H 0.0074 -0.0116 -0.0011 537 ARG 63 HA 0.0079 -0.0131 -0.0016 538 ARG 63 HB2 0.0094 -0.0136 -0.0026 539 ARG 63 HB3 0.0099 -0.0146 -0.0031 540 ARG 63 HG2 0.0104 -0.0118 -0.0031 541 ARG 63 HG3 0.0099 -0.0107 -0.0027 542 ARG 63 HD2 0.0125 -0.0108 -0.0044 543 ARG 63 HD3 0.0118 -0.0120 -0.0041 544 ARG 63 HE 0.0120 -0.0144 -0.0044 545 ARG 63 HH11 0.0146 -0.0114 -0.0058 546 ARG 63 HH12 0.0160 -0.0127 -0.0069 547 ARG 63 HH21 0.0139 -0.0162 -0.0058 548 ARG 63 HH22 0.0156 -0.0155 -0.0069 549 SER 64 N 0.0084 -0.0131 -0.0005 550 SER 64 CA 0.0092 -0.0132 0.0007 551 SER 64 C 0.0097 -0.0115 0.0019 552 SER 64 O 0.0103 -0.0113 0.0028 553 SER 64 CB 0.0101 -0.0150 0.0016 554 SER 64 OG 0.0097 -0.0166 0.0005 555 SER 64 H 0.0086 -0.0137 -0.0003 556 SER 64 HA 0.0089 -0.0134 0.0001 557 SER 64 HB2 0.0106 -0.0147 0.0023 558 SER 64 HB3 0.0106 -0.0152 0.0023 559 SER 64 HG 0.0094 -0.0170 0.0000 560 LYS 65 N 0.0109 -0.0086 0.0016 561 LYS 65 CA 0.0104 -0.0060 0.0037 562 LYS 65 C 0.0136 -0.0060 0.0058 563 LYS 65 O 0.0134 -0.0049 0.0068 564 LYS 65 CB 0.0085 -0.0031 0.0052 565 LYS 65 CG 0.0099 -0.0028 0.0064 566 LYS 65 CD 0.0134 -0.0027 0.0088 567 LYS 65 CE 0.0146 -0.0024 0.0098 568 LYS 65 NZ 0.0180 -0.0025 0.0120 569 LYS 65 H 0.0104 -0.0084 0.0014 570 LYS 65 HA 0.0088 -0.0061 0.0026 571 LYS 65 HB2 0.0086 -0.0013 0.0069 572 LYS 65 HB3 0.0060 -0.0029 0.0038 573 LYS 65 HG2 0.0083 -0.0008 0.0072 574 LYS 65 HG3 0.0100 -0.0046 0.0047 575 LYS 65 HD2 0.0151 -0.0047 0.0080 576 LYS 65 HD3 0.0133 -0.0009 0.0104 577 LYS 65 HE2 0.0130 -0.0004 0.0107 578 LYS 65 HE3 0.0145 -0.0042 0.0081 579 LYS 65 HZ1 0.0183 -0.0009 0.0137 580 LYS 65 HZ2 0.0197 -0.0045 0.0113 581 LYS 65 HZ3 0.0188 -0.0023 0.0128 582 ASP 66 N 0.0141 -0.0063 0.0068 583 ASP 66 CA 0.0178 -0.0066 0.0096 584 ASP 66 C 0.0188 -0.0086 0.0081 585 ASP 66 O 0.0207 -0.0080 0.0103 586 ASP 66 CB 0.0213 -0.0082 0.0105 587 ASP 66 CG 0.0251 -0.0080 0.0138 588 ASP 66 OD1 0.0255 -0.0054 0.0170 589 ASP 66 OD2 0.0278 -0.0103 0.0132 590 ASP 66 H 0.0142 -0.0077 0.0055 591 ASP 66 HA 0.0173 -0.0039 0.0121 592 ASP 66 HB2 0.0203 -0.0070 0.0110 593 ASP 66 HB3 0.0221 -0.0110 0.0080 594 HIS 67 N 0.0114 -0.0110 0.0033 595 HIS 67 CA 0.0115 -0.0112 0.0038 596 HIS 67 C 0.0117 -0.0103 0.0041 597 HIS 67 O 0.0120 -0.0102 0.0048 598 HIS 67 CB 0.0113 -0.0116 0.0032 599 HIS 67 CG 0.0114 -0.0118 0.0036 600 HIS 67 ND1 0.0117 -0.0121 0.0044 601 HIS 67 CD2 0.0113 -0.0120 0.0032 602 HIS 67 CE1 0.0117 -0.0125 0.0045 603 HIS 67 NE2 0.0114 -0.0125 0.0038 604 HIS 67 H 0.0111 -0.0112 0.0028 605 HIS 67 HA 0.0117 -0.0116 0.0043 606 HIS 67 HB2 0.0112 -0.0122 0.0030 607 HIS 67 HB3 0.0111 -0.0111 0.0027 608 HIS 67 HD1 0.0119 -0.0120 0.0049 609 HIS 67 HD2 0.0110 -0.0117 0.0026 610 HIS 67 HE1 0.0119 -0.0129 0.0050 611 LYS 68 N 0.0127 -0.0086 0.0040 612 LYS 68 CA 0.0127 -0.0078 0.0042 613 LYS 68 C 0.0136 -0.0065 0.0050 614 LYS 68 O 0.0142 -0.0060 0.0055 615 LYS 68 CB 0.0112 -0.0073 0.0033 616 LYS 68 CG 0.0103 -0.0087 0.0025 617 LYS 68 CD 0.0088 -0.0081 0.0016 618 LYS 68 CE 0.0082 -0.0069 0.0015 619 LYS 68 NZ 0.0067 -0.0064 0.0007 620 LYS 68 H 0.0119 -0.0085 0.0035 621 LYS 68 HA 0.0131 -0.0087 0.0043 622 LYS 68 HB2 0.0108 -0.0064 0.0033 623 LYS 68 HB3 0.0112 -0.0068 0.0034 624 LYS 68 HG2 0.0107 -0.0098 0.0025 625 LYS 68 HG3 0.0103 -0.0092 0.0024 626 LYS 68 HD2 0.0088 -0.0076 0.0017 627 LYS 68 HD3 0.0082 -0.0091 0.0011 628 LYS 68 HE2 0.0083 -0.0074 0.0014 629 LYS 68 HE3 0.0088 -0.0058 0.0021 630 LYS 68 HZ1 0.0066 -0.0058 0.0007 631 LYS 68 HZ2 0.0063 -0.0055 0.0006 632 LYS 68 HZ3 0.0062 -0.0074 0.0001 633 LYS 69 N 0.0144 -0.0039 0.0065 634 LYS 69 CA 0.0164 -0.0012 0.0107 635 LYS 69 C 0.0207 -0.0028 0.0113 636 LYS 69 O 0.0211 -0.0011 0.0135 637 LYS 69 CB 0.0182 -0.0002 0.0129 638 LYS 69 CG 0.0216 0.0017 0.0170 639 LYS 69 CD 0.0232 0.0020 0.0182 640 LYS 69 CE 0.0270 0.0036 0.0223 641 LYS 69 NZ 0.0283 0.0035 0.0230 642 LYS 69 H 0.0142 -0.0045 0.0057 643 LYS 69 HA 0.0138 0.0013 0.0119 644 LYS 69 HB2 0.0151 0.0016 0.0130 645 LYS 69 HB3 0.0198 -0.0027 0.0110 646 LYS 69 HG2 0.0246 -0.0000 0.0168 647 LYS 69 HG3 0.0200 0.0045 0.0191 648 LYS 69 HD2 0.0201 0.0037 0.0183 649 LYS 69 HD3 0.0245 -0.0008 0.0159 650 LYS 69 HE2 0.0301 0.0020 0.0223 651 LYS 69 HE3 0.0255 0.0065 0.0247 652 LYS 69 HZ1 0.0310 0.0045 0.0257 653 LYS 69 HZ2 0.0296 0.0008 0.0207 654 LYS 69 HZ3 0.0254 0.0050 0.0229 655 ARG 70 N 0.0201 -0.0026 0.0112 656 ARG 70 CA 0.0247 -0.0049 0.0124 657 ARG 70 C 0.0241 -0.0061 0.0113 658 ARG 70 O 0.0272 -0.0061 0.0130 659 ARG 70 CB 0.0271 -0.0092 0.0110 660 ARG 70 CG 0.0322 -0.0115 0.0124 661 ARG 70 CD 0.0354 -0.0082 0.0163 662 ARG 70 NE 0.0402 -0.0102 0.0177 663 ARG 70 CZ 0.0430 -0.0078 0.0208 664 ARG 70 NH1 0.0414 -0.0032 0.0228 665 ARG 70 NH2 0.0474 -0.0100 0.0219 666 ARG 70 H 0.0188 -0.0043 0.0094 667 ARG 70 HA 0.0269 -0.0024 0.0151 668 ARG 70 HB2 0.0271 -0.0084 0.0115 669 ARG 70 HB3 0.0250 -0.0117 0.0083 670 ARG 70 HG2 0.0337 -0.0145 0.0114 671 ARG 70 HG3 0.0322 -0.0126 0.0117 672 ARG 70 HD2 0.0338 -0.0052 0.0173 673 ARG 70 HD3 0.0355 -0.0072 0.0170 674 ARG 70 HE 0.0414 -0.0136 0.0163 675 ARG 70 HH11 0.0382 -0.0014 0.0221 676 ARG 70 HH12 0.0435 -0.0014 0.0251 677 ARG 70 HH21 0.0486 -0.0134 0.0204 678 ARG 70 HH22 0.0496 -0.0084 0.0242 679 LEU 71 N 0.0177 -0.0060 0.0059 680 LEU 71 CA 0.0177 -0.0067 0.0058 681 LEU 71 C 0.0182 -0.0046 0.0065 682 LEU 71 O 0.0194 -0.0049 0.0072 683 LEU 71 CB 0.0155 -0.0076 0.0044 684 LEU 71 CG 0.0147 -0.0098 0.0035 685 LEU 71 CD1 0.0125 -0.0106 0.0021 686 LEU 71 CD2 0.0165 -0.0120 0.0040 687 LEU 71 H 0.0162 -0.0059 0.0052 688 LEU 71 HA 0.0190 -0.0082 0.0062 689 LEU 71 HB2 0.0142 -0.0060 0.0040 690 LEU 71 HB3 0.0156 -0.0081 0.0043 691 LEU 71 HG 0.0144 -0.0092 0.0034 692 LEU 71 HD11 0.0128 -0.0111 0.0021 693 LEU 71 HD12 0.0113 -0.0090 0.0017 694 LEU 71 HD13 0.0120 -0.0121 0.0015 695 LEU 71 HD21 0.0180 -0.0115 0.0049 696 LEU 71 HD22 0.0169 -0.0126 0.0040 697 LEU 71 HD23 0.0159 -0.0135 0.0033 698 LYS 72 N 0.0219 -0.0021 0.0114 699 LYS 72 CA 0.0225 -0.0008 0.0115 700 LYS 72 C 0.0233 -0.0007 0.0123 701 LYS 72 O 0.0240 -0.0001 0.0129 702 LYS 72 CB 0.0220 -0.0000 0.0105 703 LYS 72 CG 0.0226 0.0013 0.0104 704 LYS 72 CD 0.0221 0.0021 0.0094 705 LYS 72 CE 0.0226 0.0034 0.0094 706 LYS 72 NZ 0.0221 0.0042 0.0083 707 LYS 72 H 0.0213 -0.0022 0.0108 708 LYS 72 HA 0.0227 -0.0006 0.0116 709 LYS 72 HB2 0.0215 -0.0001 0.0099 710 LYS 72 HB3 0.0218 -0.0003 0.0103 711 LYS 72 HG2 0.0231 0.0015 0.0110 712 LYS 72 HG3 0.0229 0.0016 0.0106 713 LYS 72 HD2 0.0215 0.0019 0.0089 714 LYS 72 HD3 0.0218 0.0018 0.0092 715 LYS 72 HE2 0.0231 0.0036 0.0099 716 LYS 72 HE3 0.0229 0.0037 0.0096 717 LYS 72 HZ1 0.0218 0.0040 0.0081 718 LYS 72 HZ2 0.0216 0.0041 0.0078 719 LYS 72 HZ3 0.0225 0.0051 0.0083 720 GLN 73 N 0.0248 0.0001 0.0148 721 GLN 73 CA 0.0283 0.0005 0.0175 722 GLN 73 C 0.0301 -0.0017 0.0161 723 GLN 73 O 0.0313 -0.0009 0.0178 724 GLN 73 CB 0.0313 0.0000 0.0189 725 GLN 73 CG 0.0299 0.0023 0.0205 726 GLN 73 CD 0.0329 0.0016 0.0217 727 GLN 73 OE1 0.0354 -0.0011 0.0203 728 GLN 73 NE2 0.0328 0.0040 0.0243 729 GLN 73 H 0.0249 -0.0007 0.0139 730 GLN 73 HA 0.0273 0.0029 0.0195 731 GLN 73 HB2 0.0322 -0.0023 0.0168 732 GLN 73 HB3 0.0338 0.0002 0.0208 733 GLN 73 HG2 0.0291 0.0046 0.0226 734 GLN 73 HG3 0.0273 0.0021 0.0186 735 GLN 73 HE21 0.0308 0.0060 0.0253 736 GLN 73 HE22 0.0347 0.0037 0.0252 737 LEU 74 N 0.0284 -0.0025 0.0144 738 LEU 74 CA 0.0298 -0.0044 0.0132 739 LEU 74 C 0.0280 -0.0047 0.0122 740 LEU 74 O 0.0291 -0.0060 0.0115 741 LEU 74 CB 0.0304 -0.0066 0.0115 742 LEU 74 CG 0.0322 -0.0087 0.0103 743 LEU 74 CD1 0.0351 -0.0084 0.0117 744 LEU 74 CD2 0.0327 -0.0107 0.0087 745 LEU 74 H 0.0274 -0.0028 0.0138 746 LEU 74 HA 0.0317 -0.0041 0.0143 747 LEU 74 HB2 0.0314 -0.0062 0.0122 748 LEU 74 HB3 0.0284 -0.0068 0.0105 749 LEU 74 HG 0.0311 -0.0091 0.0094 750 LEU 74 HD11 0.0363 -0.0100 0.0107 751 LEU 74 HD12 0.0362 -0.0080 0.0126 752 LEU 74 HD13 0.0347 -0.0071 0.0127 753 LEU 74 HD21 0.0337 -0.0103 0.0094 754 LEU 74 HD22 0.0339 -0.0122 0.0078 755 LEU 74 HD23 0.0306 -0.0109 0.0076 756 SER 75 N 0.0268 -0.0039 0.0109 757 SER 75 CA 0.0262 -0.0038 0.0106 758 SER 75 C 0.0251 -0.0062 0.0095 759 SER 75 O 0.0250 -0.0069 0.0094 760 SER 75 CB 0.0283 -0.0032 0.0117 761 SER 75 OG 0.0277 -0.0030 0.0115 762 SER 75 H 0.0257 -0.0029 0.0106 763 SER 75 HA 0.0248 -0.0023 0.0104 764 SER 75 HB2 0.0290 -0.0015 0.0124 765 SER 75 HB3 0.0297 -0.0048 0.0119 766 SER 75 HG 0.0284 -0.0015 0.0121 767 VAL 76 N 0.0198 -0.0053 0.0048 768 VAL 76 CA 0.0186 -0.0076 0.0040 769 VAL 76 C 0.0167 -0.0071 0.0034 770 VAL 76 O 0.0167 -0.0083 0.0032 771 VAL 76 CB 0.0175 -0.0087 0.0035 772 VAL 76 CG1 0.0162 -0.0111 0.0027 773 VAL 76 CG2 0.0194 -0.0092 0.0042 774 VAL 76 H 0.0197 -0.0045 0.0048 775 VAL 76 HA 0.0199 -0.0089 0.0044 776 VAL 76 HB 0.0163 -0.0073 0.0032 777 VAL 76 HG11 0.0155 -0.0118 0.0024 778 VAL 76 HG12 0.0175 -0.0124 0.0030 779 VAL 76 HG13 0.0148 -0.0106 0.0022 780 VAL 76 HG21 0.0186 -0.0099 0.0038 781 VAL 76 HG22 0.0202 -0.0075 0.0047 782 VAL 76 HG23 0.0207 -0.0105 0.0045 783 GLU 77 N 0.0205 -0.0083 0.0068 784 GLU 77 CA 0.0193 -0.0075 0.0061 785 GLU 77 C 0.0189 -0.0051 0.0056 786 GLU 77 O 0.0177 -0.0044 0.0049 787 GLU 77 CB 0.0174 -0.0089 0.0053 788 GLU 77 CG 0.0162 -0.0092 0.0047 789 GLU 77 CD 0.0142 -0.0105 0.0039 790 GLU 77 OE1 0.0142 -0.0125 0.0042 791 GLU 77 OE2 0.0127 -0.0095 0.0030 792 GLU 77 H 0.0203 -0.0077 0.0066 793 GLU 77 HA 0.0201 -0.0076 0.0065 794 GLU 77 HB2 0.0165 -0.0081 0.0047 795 GLU 77 HB3 0.0177 -0.0105 0.0056 796 GLU 77 HG2 0.0170 -0.0101 0.0053 797 GLU 77 HG3 0.0159 -0.0076 0.0044 798 PRO 78 N 0.0223 -0.0044 0.0073 799 PRO 78 CA 0.0220 -0.0030 0.0071 800 PRO 78 C 0.0208 -0.0028 0.0065 801 PRO 78 O 0.0206 -0.0033 0.0064 802 PRO 78 CB 0.0230 -0.0024 0.0076 803 PRO 78 CG 0.0239 -0.0034 0.0081 804 PRO 78 CD 0.0233 -0.0047 0.0078 805 PRO 78 HA 0.0220 -0.0026 0.0071 806 PRO 78 HB2 0.0226 -0.0022 0.0074 807 PRO 78 HB3 0.0233 -0.0015 0.0077 808 PRO 78 HG2 0.0243 -0.0033 0.0084 809 PRO 78 HG3 0.0245 -0.0033 0.0084 810 PRO 78 HD2 0.0230 -0.0051 0.0077 811 PRO 78 HD3 0.0238 -0.0055 0.0082 812 TYR 79 N 0.0229 -0.0041 0.0063 813 TYR 79 CA 0.0211 -0.0037 0.0051 814 TYR 79 C 0.0196 -0.0058 0.0051 815 TYR 79 O 0.0198 -0.0071 0.0057 816 TYR 79 CB 0.0216 -0.0025 0.0050 817 TYR 79 CG 0.0227 -0.0003 0.0048 818 TYR 79 CD1 0.0248 0.0001 0.0058 819 TYR 79 CD2 0.0218 0.0015 0.0036 820 TYR 79 CE1 0.0259 0.0021 0.0056 821 TYR 79 CE2 0.0228 0.0035 0.0034 822 TYR 79 CZ 0.0249 0.0038 0.0044 823 TYR 79 OH 0.0260 0.0059 0.0043 824 TYR 79 H 0.0230 -0.0035 0.0062 825 TYR 79 HA 0.0203 -0.0027 0.0043 826 TYR 79 HB2 0.0224 -0.0035 0.0058 827 TYR 79 HB3 0.0202 -0.0024 0.0041 828 TYR 79 HD1 0.0256 -0.0013 0.0068 829 TYR 79 HD2 0.0201 0.0012 0.0027 830 TYR 79 HE1 0.0275 0.0024 0.0065 831 TYR 79 HE2 0.0220 0.0049 0.0024 832 TYR 79 HH 0.0253 0.0065 0.0037 833 SER 80 N 0.0160 -0.0058 0.0027 834 SER 80 CA 0.0147 -0.0069 0.0033 835 SER 80 C 0.0134 -0.0066 0.0027 836 SER 80 O 0.0137 -0.0057 0.0020 837 SER 80 CB 0.0140 -0.0070 0.0032 838 SER 80 OG 0.0128 -0.0082 0.0038 839 SER 80 H 0.0158 -0.0050 0.0020 840 SER 80 HA 0.0151 -0.0077 0.0042 841 SER 80 HB2 0.0150 -0.0071 0.0036 842 SER 80 HB3 0.0135 -0.0062 0.0023 843 SER 80 HG 0.0134 -0.0089 0.0046 844 GLN 81 N 0.0105 -0.0084 0.0011 845 GLN 81 CA 0.0094 -0.0083 0.0004 846 GLN 81 C 0.0091 -0.0074 0.0002 847 GLN 81 O 0.0097 -0.0072 0.0006 848 GLN 81 CB 0.0090 -0.0095 0.0001 849 GLN 81 CG 0.0079 -0.0096 -0.0006 850 GLN 81 CD 0.0075 -0.0107 -0.0009 851 GLN 81 OE1 0.0079 -0.0113 -0.0007 852 GLN 81 NE2 0.0067 -0.0110 -0.0015 853 GLN 81 H 0.0109 -0.0090 0.0013 854 GLN 81 HA 0.0091 -0.0081 0.0002 855 GLN 81 HB2 0.0094 -0.0102 0.0003 856 GLN 81 HB3 0.0093 -0.0097 0.0002 857 GLN 81 HG2 0.0076 -0.0089 -0.0008 858 GLN 81 HG3 0.0077 -0.0094 -0.0008 859 GLN 81 HE21 0.0064 -0.0105 -0.0016 860 GLN 81 HE22 0.0064 -0.0118 -0.0017 861 GLU 82 N 0.0087 -0.0066 0.0006 862 GLU 82 CA 0.0080 -0.0049 0.0003 863 GLU 82 C 0.0088 -0.0032 0.0005 864 GLU 82 O 0.0084 -0.0015 0.0003 865 GLU 82 CB 0.0080 -0.0048 0.0003 866 GLU 82 CG 0.0072 -0.0031 -0.0000 867 GLU 82 CD 0.0072 -0.0032 -0.0000 868 GLU 82 OE1 0.0087 -0.0029 0.0004 869 GLU 82 OE2 0.0058 -0.0036 -0.0005 870 GLU 82 H 0.0080 -0.0073 0.0003 871 GLU 82 HA 0.0066 -0.0049 -0.0002 872 GLU 82 HB2 0.0073 -0.0060 0.0001 873 GLU 82 HB3 0.0094 -0.0049 0.0007 874 GLU 82 HG2 0.0080 -0.0018 0.0002 875 GLU 82 HG3 0.0058 -0.0029 -0.0005 876 GLU 83 N 0.0110 -0.0036 -0.0005 877 GLU 83 CA 0.0126 -0.0018 -0.0004 878 GLU 83 C 0.0131 -0.0023 -0.0001 879 GLU 83 O 0.0126 -0.0010 -0.0007 880 GLU 83 CB 0.0149 -0.0015 0.0002 881 GLU 83 CG 0.0167 0.0004 0.0003 882 GLU 83 CD 0.0187 0.0007 0.0008 883 GLU 83 OE1 0.0202 -0.0007 0.0017 884 GLU 83 OE2 0.0189 0.0025 0.0004 885 GLU 83 H 0.0113 -0.0052 0.0001 886 GLU 83 HA 0.0118 -0.0001 -0.0012 887 GLU 83 HB2 0.0144 -0.0010 -0.0001 888 GLU 83 HB3 0.0156 -0.0032 0.0009 889 GLU 83 HG2 0.0173 -0.0002 0.0006 890 GLU 83 HG3 0.0159 0.0020 -0.0004 891 ALA 84 N 0.0138 -0.0045 0.0008 892 ALA 84 CA 0.0143 -0.0055 0.0012 893 ALA 84 C 0.0121 -0.0075 0.0011 894 ALA 84 O 0.0124 -0.0091 0.0017 895 ALA 84 CB 0.0170 -0.0066 0.0023 896 ALA 84 H 0.0142 -0.0056 0.0012 897 ALA 84 HA 0.0143 -0.0037 0.0007 898 ALA 84 HB1 0.0174 -0.0074 0.0026 899 ALA 84 HB2 0.0171 -0.0083 0.0028 900 ALA 84 HB3 0.0186 -0.0051 0.0023 901 GLU 85 N 0.0091 -0.0083 0.0004 902 GLU 85 CA 0.0072 -0.0095 0.0003 903 GLU 85 C 0.0060 -0.0079 0.0004 904 GLU 85 O 0.0065 -0.0077 0.0004 905 GLU 85 CB 0.0079 -0.0116 0.0002 906 GLU 85 CG 0.0061 -0.0132 0.0001 907 GLU 85 CD 0.0044 -0.0126 0.0001 908 GLU 85 OE1 0.0048 -0.0131 0.0001 909 GLU 85 OE2 0.0027 -0.0116 0.0002 910 GLU 85 H 0.0093 -0.0068 0.0004 911 GLU 85 HA 0.0062 -0.0099 0.0003 912 GLU 85 HB2 0.0092 -0.0124 0.0001 913 GLU 85 HB3 0.0086 -0.0111 0.0002 914 GLU 85 HG2 0.0053 -0.0131 0.0001 915 GLU 85 HG3 0.0068 -0.0149 -0.0000 916 ARG 86 N 0.0050 -0.0080 0.0004 917 ARG 86 CA 0.0038 -0.0056 0.0010 918 ARG 86 C 0.0007 -0.0059 0.0017 919 ARG 86 O -0.0007 -0.0074 0.0018 920 ARG 86 CB 0.0047 -0.0029 0.0012 921 ARG 86 CG 0.0046 -0.0031 0.0012 922 ARG 86 CD 0.0017 -0.0037 0.0018 923 ARG 86 NE 0.0018 -0.0041 0.0017 924 ARG 86 CZ -0.0002 -0.0051 0.0020 925 ARG 86 NH1 -0.0027 -0.0058 0.0024 926 ARG 86 NH2 0.0002 -0.0055 0.0018 927 ARG 86 H 0.0044 -0.0088 0.0004 928 ARG 86 HA 0.0046 -0.0054 0.0009 929 ARG 86 HB2 0.0033 -0.0013 0.0018 930 ARG 86 HB3 0.0067 -0.0023 0.0009 931 ARG 86 HG2 0.0054 -0.0012 0.0013 932 ARG 86 HG3 0.0059 -0.0048 0.0007 933 ARG 86 HD2 0.0008 -0.0055 0.0017 934 ARG 86 HD3 0.0005 -0.0019 0.0023 935 ARG 86 HE 0.0036 -0.0036 0.0014 936 ARG 86 HH11 -0.0031 -0.0055 0.0026 937 ARG 86 HH12 -0.0042 -0.0065 0.0027 938 ARG 86 HH21 0.0020 -0.0051 0.0015 939 ARG 86 HH22 -0.0013 -0.0063 0.0020 940 ALA 87 N 0.0002 -0.0056 0.0011 941 ALA 87 CA -0.0025 -0.0056 0.0015 942 ALA 87 C -0.0036 -0.0029 0.0027 943 ALA 87 O -0.0049 -0.0018 0.0033 944 ALA 87 CB -0.0021 -0.0061 0.0012 945 ALA 87 H 0.0018 -0.0047 0.0013 946 ALA 87 HA -0.0038 -0.0070 0.0010 947 ALA 87 HB1 -0.0007 -0.0046 0.0016 948 ALA 87 HB2 -0.0013 -0.0080 0.0003 949 ALA 87 HB3 -0.0040 -0.0060 0.0015 950 ALA 88 N -0.0033 -0.0021 0.0028 951 ALA 88 CA -0.0040 0.0005 0.0036 952 ALA 88 C -0.0053 0.0002 0.0037 953 ALA 88 O -0.0039 0.0005 0.0036 954 ALA 88 CB -0.0016 0.0024 0.0037 955 ALA 88 H -0.0024 -0.0032 0.0024 956 ALA 88 HA -0.0055 0.0012 0.0040 957 ALA 88 HB1 -0.0001 0.0017 0.0033 958 ALA 88 HB2 -0.0007 0.0025 0.0036 959 ALA 88 HB3 -0.0022 0.0043 0.0043 960 GLY 89 N -0.0107 -0.0021 0.0045 961 GLY 89 CA -0.0121 -0.0017 0.0044 962 GLY 89 C -0.0119 -0.0016 0.0039 963 GLY 89 O -0.0111 -0.0020 0.0046 964 GLY 89 H -0.0098 -0.0023 0.0039 965 GLY 89 HA2 -0.0126 -0.0017 0.0056 966 GLY 89 HA3 -0.0128 -0.0013 0.0036 967 MET 90 N -0.0180 -0.0029 0.0037 968 MET 90 CA -0.0129 -0.0019 0.0023 969 MET 90 C -0.0109 -0.0054 0.0020 970 MET 90 O -0.0093 -0.0096 0.0020 971 MET 90 CB -0.0100 -0.0020 0.0015 972 MET 90 CG -0.0048 -0.0000 -0.0001 973 MET 90 SD -0.0008 -0.0033 -0.0009 974 MET 90 CE 0.0047 -0.0002 -0.0027 975 MET 90 H -0.0203 -0.0003 0.0041 976 MET 90 HA -0.0129 0.0018 0.0019 977 MET 90 HB2 -0.0119 0.0001 0.0018 978 MET 90 HB3 -0.0097 -0.0058 0.0018 979 MET 90 HG2 -0.0051 0.0038 -0.0004 980 MET 90 HG3 -0.0034 -0.0001 -0.0005 981 MET 90 HE1 0.0042 0.0036 -0.0029 982 MET 90 HE2 0.0075 -0.0019 -0.0033 983 MET 90 HE3 0.0056 -0.0005 -0.0029 984 GLY 91 N -0.0049 -0.0019 0.0010 985 GLY 91 CA -0.0027 -0.0034 -0.0007 986 GLY 91 C 0.0006 -0.0015 -0.0010 987 GLY 91 O 0.0019 -0.0001 -0.0008 988 GLY 91 H -0.0052 0.0001 0.0023 989 GLY 91 HA2 -0.0026 -0.0057 -0.0020 990 GLY 91 HA3 -0.0034 -0.0037 -0.0006 991 SER 92 N 0.0035 -0.0025 -0.0023 992 SER 92 CA 0.0062 -0.0004 -0.0034 993 SER 92 C 0.0094 -0.0027 -0.0042 994 SER 92 O 0.0108 -0.0043 -0.0045 995 SER 92 CB 0.0068 0.0026 -0.0039 996 SER 92 OG 0.0038 0.0047 -0.0031 997 SER 92 H 0.0038 -0.0036 -0.0023 998 SER 92 HA 0.0053 0.0007 -0.0032 999 SER 92 HB2 0.0077 0.0015 -0.0041 1000 SER 92 HB3 0.0088 0.0043 -0.0047 1001 SER 92 HG 0.0019 0.0034 -0.0024 1002 TYR 93 N 0.0103 -0.0046 -0.0038 1003 TYR 93 CA 0.0078 -0.0030 -0.0022 1004 TYR 93 C 0.0049 -0.0052 -0.0024 1005 TYR 93 O 0.0049 -0.0076 -0.0037 1006 TYR 93 CB 0.0076 -0.0008 -0.0009 1007 TYR 93 CG 0.0054 0.0013 0.0009 1008 TYR 93 CD1 0.0063 0.0038 0.0019 1009 TYR 93 CD2 0.0024 0.0008 0.0015 1010 TYR 93 CE1 0.0044 0.0057 0.0035 1011 TYR 93 CE2 0.0004 0.0027 0.0032 1012 TYR 93 CZ 0.0014 0.0052 0.0042 1013 TYR 93 OH -0.0006 0.0071 0.0058 1014 TYR 93 H 0.0103 -0.0055 -0.0043 1015 TYR 93 HA 0.0082 -0.0020 -0.0018 1016 TYR 93 HB2 0.0098 0.0004 -0.0010 1017 TYR 93 HB3 0.0069 -0.0019 -0.0013 1018 TYR 93 HD1 0.0087 0.0042 0.0014 1019 TYR 93 HD2 0.0016 -0.0011 0.0008 1020 TYR 93 HE1 0.0051 0.0077 0.0043 1021 TYR 93 HE2 -0.0020 0.0023 0.0037 1022 TYR 93 HH -0.0025 0.0061 0.0058 1023 VAL 94 N 0.0036 -0.0046 -0.0017 1024 VAL 94 CA -0.0005 -0.0063 -0.0032 1025 VAL 94 C -0.0029 -0.0056 -0.0029 1026 VAL 94 O -0.0043 -0.0024 -0.0010 1027 VAL 94 CB -0.0035 -0.0054 -0.0028 1028 VAL 94 CG1 -0.0044 -0.0013 -0.0003 1029 VAL 94 CG2 -0.0076 -0.0074 -0.0044 1030 VAL 94 H 0.0040 -0.0027 -0.0005 1031 VAL 94 HA 0.0003 -0.0092 -0.0050 1032 VAL 94 HB -0.0018 -0.0063 -0.0033 1033 VAL 94 HG11 -0.0065 -0.0008 -0.0001 1034 VAL 94 HG12 -0.0060 -0.0003 0.0003 1035 VAL 94 HG13 -0.0014 0.0000 0.0009 1036 VAL 94 HG21 -0.0094 -0.0066 -0.0041 1037 VAL 94 HG22 -0.0096 -0.0067 -0.0042 1038 VAL 94 HG23 -0.0069 -0.0102 -0.0062