1 ASP 28 N -0.0026 0.0209 0.0162 2 ASP 28 CA 0.0016 0.0171 0.0057 3 ASP 28 C -0.0120 0.0230 -0.0012 4 ASP 28 O -0.0216 0.0294 0.0080 5 ASP 28 CB 0.0119 0.0134 0.0152 6 ASP 28 CG 0.0168 0.0092 0.0051 7 ASP 28 OD1 0.0248 0.0033 -0.0061 8 ASP 28 OD2 0.0134 0.0116 0.0088 9 ASP 28 H 0.0066 0.0170 0.0213 10 ASP 28 HA 0.0072 0.0127 -0.0041 11 ASP 28 HB2 0.0215 0.0092 0.0199 12 ASP 28 HB3 0.0062 0.0179 0.0252 13 PRO 29 N -0.0165 -0.0013 0.0029 14 PRO 29 CA -0.0141 -0.0013 0.0033 15 PRO 29 C -0.0136 -0.0019 0.0013 16 PRO 29 O -0.0154 -0.0020 0.0007 17 PRO 29 CB -0.0144 -0.0005 0.0059 18 PRO 29 CG -0.0166 -0.0001 0.0071 19 PRO 29 CD -0.0184 -0.0007 0.0050 20 PRO 29 HA -0.0124 -0.0013 0.0034 21 PRO 29 HB2 -0.0148 -0.0006 0.0056 22 PRO 29 HB3 -0.0126 -0.0003 0.0070 23 PRO 29 HG2 -0.0177 0.0003 0.0083 24 PRO 29 HG3 -0.0159 0.0002 0.0082 25 PRO 29 HD2 -0.0199 -0.0008 0.0046 26 PRO 29 HD3 -0.0193 -0.0005 0.0056 27 ASN 30 N -0.0089 -0.0094 -0.0217 28 ASN 30 CA -0.0139 -0.0074 -0.0004 29 ASN 30 C 0.0095 -0.0134 0.0349 30 ASN 30 O 0.0382 -0.0218 0.0355 31 ASN 30 CB -0.0090 -0.0094 -0.0254 32 ASN 30 CG -0.0130 -0.0078 -0.0058 33 ASN 30 OD1 -0.0422 0.0008 -0.0035 34 ASN 30 ND2 0.0159 -0.0159 0.0073 35 ASN 30 H -0.0300 -0.0034 -0.0288 36 ASN 30 HA -0.0413 0.0008 0.0088 37 ASN 30 HB2 -0.0288 -0.0042 -0.0476 38 ASN 30 HB3 0.0172 -0.0173 -0.0369 39 ASN 30 HD21 0.0389 -0.0227 0.0039 40 ASN 30 HD22 0.0139 -0.0150 0.0202 41 ALA 31 N 0.0061 -0.0446 0.0310 42 ALA 31 CA 0.0086 -0.0100 0.0151 43 ALA 31 C 0.0147 -0.0390 -0.0206 44 ALA 31 O 0.0226 -0.0412 -0.0685 45 ALA 31 CB 0.0129 0.0402 -0.0122 46 ALA 31 H 0.0094 -0.0784 0.0123 47 ALA 31 HA 0.0027 0.0020 0.0502 48 ALA 31 HB1 0.0144 0.0659 -0.0219 49 ALA 31 HB2 0.0188 0.0291 -0.0476 50 ALA 31 HB3 0.0085 0.0609 0.0135 51 GLU 32 N 0.0056 -0.0707 0.0084 52 GLU 32 CA 0.0311 -0.0263 0.0198 53 GLU 32 C 0.0482 0.0111 0.0283 54 GLU 32 O 0.0800 0.0456 0.0404 55 GLU 32 CB -0.0052 0.0027 0.0132 56 GLU 32 CG -0.0546 0.0260 0.0026 57 GLU 32 CD -0.0878 0.0559 -0.0031 58 GLU 32 OE1 -0.0803 0.1046 0.0040 59 GLU 32 OE2 -0.1214 0.0317 -0.0146 60 GLU 32 H -0.0323 -0.0690 -0.0015 61 GLU 32 HA 0.0637 -0.0430 0.0267 62 GLU 32 HB2 0.0155 0.0350 0.0221 63 GLU 32 HB3 -0.0160 -0.0254 0.0074 64 GLU 32 HG2 -0.0768 -0.0060 -0.0067 65 GLU 32 HG3 -0.0441 0.0529 0.0082 66 PHE 33 N 0.0112 0.0007 0.0001 67 PHE 33 CA 0.0141 0.0070 0.0023 68 PHE 33 C 0.0160 0.0203 -0.0066 69 PHE 33 O 0.0157 0.0252 -0.0126 70 PHE 33 CB 0.0200 0.0092 0.0173 71 PHE 33 CG 0.0245 0.0167 0.0226 72 PHE 33 CD1 0.0290 0.0306 0.0208 73 PHE 33 CD2 0.0242 0.0098 0.0291 74 PHE 33 CE1 0.0330 0.0374 0.0255 75 PHE 33 CE2 0.0282 0.0166 0.0338 76 PHE 33 CZ 0.0326 0.0303 0.0320 77 PHE 33 H 0.0136 0.0040 0.0040 78 PHE 33 HA 0.0109 0.0004 -0.0003 79 PHE 33 HB2 0.0226 0.0150 0.0186 80 PHE 33 HB3 0.0186 -0.0004 0.0234 81 PHE 33 HD1 0.0293 0.0361 0.0158 82 PHE 33 HD2 0.0208 -0.0010 0.0306 83 PHE 33 HE1 0.0364 0.0482 0.0240 84 PHE 33 HE2 0.0280 0.0111 0.0389 85 PHE 33 HZ 0.0358 0.0356 0.0356 86 ASP 34 N 0.0132 0.0299 -0.0181 87 ASP 34 CA 0.0108 0.0289 -0.0168 88 ASP 34 C 0.0107 0.0272 -0.0183 89 ASP 34 O 0.0116 0.0258 -0.0205 90 ASP 34 CB 0.0088 0.0274 -0.0163 91 ASP 34 CG 0.0062 0.0265 -0.0147 92 ASP 34 OD1 0.0054 0.0248 -0.0155 93 ASP 34 OD2 0.0051 0.0276 -0.0125 94 ASP 34 H 0.0135 0.0288 -0.0195 95 ASP 34 HA 0.0106 0.0304 -0.0151 96 ASP 34 HB2 0.0090 0.0285 -0.0154 97 ASP 34 HB3 0.0089 0.0258 -0.0180 98 PRO 35 N 0.0129 0.0044 -0.0032 99 PRO 35 CA -0.0026 -0.0105 -0.0173 100 PRO 35 C -0.0132 -0.0248 -0.0183 101 PRO 35 O -0.0266 -0.0383 -0.0292 102 PRO 35 CB -0.0067 -0.0214 -0.0058 103 PRO 35 CG 0.0017 -0.0210 0.0191 104 PRO 35 CD 0.0162 -0.0016 0.0201 105 PRO 35 HA -0.0035 -0.0040 -0.0347 106 PRO 35 HB2 -0.0185 -0.0362 -0.0092 107 PRO 35 HB3 -0.0033 -0.0139 -0.0121 108 PRO 35 HG2 -0.0045 -0.0329 0.0266 109 PRO 35 HG3 0.0038 -0.0222 0.0279 110 PRO 35 HD2 0.0192 -0.0032 0.0331 111 PRO 35 HD3 0.0249 0.0089 0.0234 112 ASP 36 N -0.0172 -0.0513 -0.0149 113 ASP 36 CA -0.0157 -0.0319 -0.0220 114 ASP 36 C -0.0151 -0.0011 -0.0329 115 ASP 36 O -0.0272 0.0191 -0.0385 116 ASP 36 CB 0.0123 -0.0394 -0.0229 117 ASP 36 CG 0.0157 -0.0192 -0.0305 118 ASP 36 OD1 -0.0015 -0.0214 -0.0275 119 ASP 36 OD2 0.0361 -0.0006 -0.0397 120 ASP 36 H 0.0016 -0.0558 -0.0158 121 ASP 36 HA -0.0360 -0.0345 -0.0185 122 ASP 36 HB2 0.0103 -0.0612 -0.0150 123 ASP 36 HB3 0.0325 -0.0386 -0.0258 124 LEU 37 N 0.0038 0.0079 -0.0280 125 LEU 37 CA 0.0025 0.0063 -0.0241 126 LEU 37 C 0.0016 0.0049 -0.0179 127 LEU 37 O -0.0004 0.0025 -0.0174 128 LEU 37 CB -0.0009 0.0024 -0.0269 129 LEU 37 CG -0.0001 0.0036 -0.0321 130 LEU 37 CD1 0.0029 0.0070 -0.0302 131 LEU 37 CD2 0.0011 0.0054 -0.0377 132 LEU 37 H 0.0018 0.0058 -0.0304 133 LEU 37 HA 0.0050 0.0092 -0.0236 134 LEU 37 HB2 -0.0031 -0.0000 -0.0284 135 LEU 37 HB3 -0.0022 0.0007 -0.0233 136 LEU 37 HG -0.0028 0.0005 -0.0332 137 LEU 37 HD11 0.0034 0.0078 -0.0339 138 LEU 37 HD12 0.0056 0.0102 -0.0289 139 LEU 37 HD13 0.0019 0.0056 -0.0265 140 LEU 37 HD21 0.0017 0.0062 -0.0412 141 LEU 37 HD22 -0.0011 0.0028 -0.0392 142 LEU 37 HD23 0.0038 0.0084 -0.0366 143 PRO 38 N 0.0006 -0.0023 -0.0131 144 PRO 38 CA 0.0012 -0.0037 -0.0088 145 PRO 38 C -0.0033 -0.0069 -0.0078 146 PRO 38 O -0.0064 -0.0088 -0.0081 147 PRO 38 CB 0.0033 -0.0040 -0.0048 148 PRO 38 CG 0.0054 -0.0017 -0.0073 149 PRO 38 CD 0.0025 -0.0015 -0.0122 150 PRO 38 HA 0.0032 -0.0024 -0.0089 151 PRO 38 HB2 0.0009 -0.0063 -0.0030 152 PRO 38 HB3 0.0058 -0.0035 -0.0022 153 PRO 38 HG2 0.0055 -0.0024 -0.0053 154 PRO 38 HG3 0.0086 0.0005 -0.0076 155 PRO 38 HD2 -0.0001 -0.0032 -0.0121 156 PRO 38 HD3 0.0044 0.0008 -0.0148 157 GLY 39 N 0.0005 -0.0065 0.0010 158 GLY 39 CA 0.0012 -0.0067 0.0010 159 GLY 39 C 0.0026 -0.0080 0.0014 160 GLY 39 O 0.0037 -0.0081 0.0012 161 GLY 39 H -0.0006 -0.0068 0.0015 162 GLY 39 HA2 0.0002 -0.0069 0.0013 163 GLY 39 HA3 0.0017 -0.0057 0.0002 164 GLY 40 N 0.0040 -0.0071 -0.0066 165 GLY 40 CA 0.0035 -0.0061 -0.0062 166 GLY 40 C 0.0013 -0.0075 -0.0095 167 GLY 40 O 0.0009 -0.0072 -0.0096 168 GLY 40 H 0.0029 -0.0052 -0.0060 169 GLY 40 HA2 0.0024 -0.0033 -0.0049 170 GLY 40 HA3 0.0060 -0.0073 -0.0049 171 GLY 41 N -0.0035 -0.0089 -0.0082 172 GLY 41 CA -0.0068 -0.0109 -0.0105 173 GLY 41 C -0.0088 -0.0154 -0.0100 174 GLY 41 O -0.0119 -0.0174 -0.0120 175 GLY 41 H -0.0013 -0.0086 -0.0060 176 GLY 41 HA2 -0.0063 -0.0111 -0.0098 177 GLY 41 HA3 -0.0083 -0.0088 -0.0133 178 LEU 42 N -0.0032 -0.0067 -0.0006 179 LEU 42 CA -0.0004 -0.0146 -0.0006 180 LEU 42 C 0.0004 -0.0173 -0.0019 181 LEU 42 O 0.0025 -0.0239 -0.0030 182 LEU 42 CB 0.0018 -0.0170 0.0070 183 LEU 42 CG 0.0014 -0.0148 0.0092 184 LEU 42 CD1 0.0038 -0.0175 0.0171 185 LEU 42 CD2 0.0015 -0.0178 0.0032 186 LEU 42 H -0.0033 -0.0040 0.0043 187 LEU 42 HA -0.0003 -0.0170 -0.0051 188 LEU 42 HB2 0.0018 -0.0147 0.0114 189 LEU 42 HB3 0.0039 -0.0229 0.0069 190 LEU 42 HG -0.0006 -0.0089 0.0096 191 LEU 42 HD11 0.0035 -0.0160 0.0185 192 LEU 42 HD12 0.0059 -0.0234 0.0170 193 LEU 42 HD13 0.0036 -0.0150 0.0214 194 LEU 42 HD21 0.0035 -0.0238 0.0027 195 LEU 42 HD22 0.0012 -0.0163 0.0050 196 LEU 42 HD23 -0.0003 -0.0156 -0.0022 197 HIS 43 N -0.0056 0.0023 0.0089 198 HIS 43 CA -0.0054 0.0024 0.0068 199 HIS 43 C -0.0062 -0.0010 0.0094 200 HIS 43 O -0.0069 -0.0052 0.0086 201 HIS 43 CB -0.0053 0.0010 0.0015 202 HIS 43 CG -0.0046 0.0039 -0.0014 203 HIS 43 ND1 -0.0037 0.0081 -0.0033 204 HIS 43 CD2 -0.0046 0.0029 -0.0030 205 HIS 43 CE1 -0.0032 0.0097 -0.0058 206 HIS 43 NE2 -0.0038 0.0066 -0.0057 207 HIS 43 H -0.0061 -0.0007 0.0092 208 HIS 43 HA -0.0048 0.0058 0.0073 209 HIS 43 HB2 -0.0059 -0.0026 0.0011 210 HIS 43 HB3 -0.0051 0.0016 0.0002 211 HIS 43 HD1 -0.0034 0.0098 -0.0027 212 HIS 43 HD2 -0.0052 -0.0001 -0.0022 213 HIS 43 HE1 -0.0025 0.0129 -0.0077 214 HIS 43 HE2 -0.0036 0.0073 -0.0067 215 ARG 44 N -0.0125 -0.0141 0.0030 216 ARG 44 CA -0.0093 -0.0138 0.0054 217 ARG 44 C -0.0104 -0.0118 0.0090 218 ARG 44 O -0.0136 -0.0107 0.0096 219 ARG 44 CB -0.0080 -0.0146 0.0046 220 ARG 44 CG -0.0076 -0.0164 0.0008 221 ARG 44 CD -0.0067 -0.0169 0.0004 222 ARG 44 NE -0.0065 -0.0186 -0.0033 223 ARG 44 CZ -0.0053 -0.0194 -0.0042 224 ARG 44 NH1 -0.0042 -0.0186 -0.0018 225 ARG 44 NH2 -0.0051 -0.0210 -0.0076 226 ARG 44 H -0.0148 -0.0135 0.0029 227 ARG 44 HA -0.0070 -0.0145 0.0052 228 ARG 44 HB2 -0.0099 -0.0136 0.0056 229 ARG 44 HB3 -0.0053 -0.0146 0.0061 230 ARG 44 HG2 -0.0055 -0.0174 -0.0001 231 ARG 44 HG3 -0.0103 -0.0164 -0.0007 232 ARG 44 HD2 -0.0087 -0.0158 0.0015 233 ARG 44 HD3 -0.0040 -0.0169 0.0019 234 ARG 44 HE -0.0073 -0.0192 -0.0051 235 ARG 44 HH11 -0.0043 -0.0174 0.0008 236 ARG 44 HH12 -0.0033 -0.0191 -0.0025 237 ARG 44 HH21 -0.0059 -0.0217 -0.0095 238 ARG 44 HH22 -0.0042 -0.0216 -0.0084 239 CYS 45 N -0.0065 -0.0105 0.0030 240 CYS 45 CA -0.0041 -0.0088 -0.0019 241 CYS 45 C -0.0022 -0.0088 -0.0033 242 CYS 45 O -0.0051 -0.0076 -0.0033 243 CYS 45 CB -0.0076 -0.0054 -0.0051 244 CYS 45 SG -0.0050 -0.0029 -0.0115 245 CYS 45 H -0.0098 -0.0097 0.0041 246 CYS 45 HA -0.0010 -0.0101 -0.0020 247 CYS 45 HB2 -0.0085 -0.0056 -0.0041 248 CYS 45 HB3 -0.0111 -0.0043 -0.0043 249 LEU 46 N 0.0110 -0.0189 -0.0342 250 LEU 46 CA 0.0066 -0.0190 -0.0185 251 LEU 46 C -0.0066 -0.0278 -0.0272 252 LEU 46 O -0.0198 -0.0335 -0.0154 253 LEU 46 CB 0.0251 -0.0075 -0.0119 254 LEU 46 CG 0.0387 0.0019 -0.0014 255 LEU 46 CD1 0.0573 0.0131 0.0028 256 LEU 46 CD2 0.0295 -0.0003 0.0196 257 LEU 46 H 0.0241 -0.0123 -0.0406 258 LEU 46 HA -0.0007 -0.0210 -0.0043 259 LEU 46 HB2 0.0325 -0.0054 -0.0262 260 LEU 46 HB3 0.0215 -0.0078 -0.0005 261 LEU 46 HG 0.0416 0.0018 -0.0128 262 LEU 46 HD11 0.0643 0.0148 -0.0125 263 LEU 46 HD12 0.0665 0.0195 0.0108 264 LEU 46 HD13 0.0541 0.0128 0.0131 265 LEU 46 HD21 0.0171 -0.0078 0.0161 266 LEU 46 HD22 0.0254 -0.0009 0.0308 267 LEU 46 HD23 0.0397 0.0067 0.0268 268 ALA 47 N 0.0147 -0.0221 -0.0460 269 ALA 47 CA 0.0173 -0.0139 -0.0483 270 ALA 47 C 0.0168 -0.0068 -0.0468 271 ALA 47 O 0.0198 -0.0001 -0.0497 272 ALA 47 CB 0.0149 -0.0114 -0.0450 273 ALA 47 H 0.0116 -0.0248 -0.0423 274 ALA 47 HA 0.0215 -0.0147 -0.0536 275 ALA 47 HB1 0.0170 -0.0056 -0.0469 276 ALA 47 HB2 0.0107 -0.0105 -0.0396 277 ALA 47 HB3 0.0153 -0.0165 -0.0460 278 CYS 48 N -0.0144 -0.0201 -0.0096 279 CYS 48 CA -0.0189 -0.0132 -0.0074 280 CYS 48 C -0.0203 -0.0119 -0.0046 281 CYS 48 O -0.0239 -0.0061 -0.0039 282 CYS 48 CB -0.0213 -0.0112 -0.0016 283 CYS 48 SG -0.0206 -0.0110 -0.0057 284 CYS 48 H -0.0127 -0.0240 -0.0056 285 CYS 48 HA -0.0199 -0.0100 -0.0128 286 CYS 48 HB2 -0.0202 -0.0145 0.0037 287 CYS 48 HB3 -0.0246 -0.0061 -0.0003 288 ALA 49 N -0.0252 -0.0305 -0.0062 289 ALA 49 CA -0.0288 -0.0240 0.0031 290 ALA 49 C -0.0265 -0.0246 0.0005 291 ALA 49 O -0.0315 -0.0225 0.0069 292 ALA 49 CB -0.0410 -0.0272 0.0105 293 ALA 49 H -0.0199 -0.0271 -0.0075 294 ALA 49 HA -0.0241 -0.0161 0.0066 295 ALA 49 HB1 -0.0458 -0.0351 0.0071 296 ALA 49 HB2 -0.0423 -0.0266 0.0122 297 ALA 49 HB3 -0.0433 -0.0221 0.0174 298 ARG 50 N -0.0154 -0.0177 0.0031 299 ARG 50 CA -0.0156 -0.0186 0.0016 300 ARG 50 C -0.0282 -0.0242 -0.0035 301 ARG 50 O -0.0392 -0.0245 -0.0006 302 ARG 50 CB -0.0142 -0.0113 0.0131 303 ARG 50 CG -0.0010 -0.0054 0.0185 304 ARG 50 CD -0.0004 0.0017 0.0298 305 ARG 50 NE 0.0121 0.0075 0.0354 306 ARG 50 CZ 0.0147 0.0145 0.0459 307 ARG 50 NH1 0.0059 0.0165 0.0519 308 ARG 50 NH2 0.0262 0.0194 0.0503 309 ARG 50 H -0.0214 -0.0150 0.0093 310 ARG 50 HA -0.0071 -0.0209 -0.0046 311 ARG 50 HB2 -0.0226 -0.0090 0.0194 312 ARG 50 HB3 -0.0149 -0.0124 0.0114 313 ARG 50 HG2 0.0074 -0.0076 0.0124 314 ARG 50 HG3 -0.0002 -0.0042 0.0203 315 ARG 50 HD2 -0.0090 0.0038 0.0359 316 ARG 50 HD3 -0.0010 0.0004 0.0279 317 ARG 50 HE 0.0188 0.0059 0.0308 318 ARG 50 HH11 -0.0028 0.0130 0.0488 319 ARG 50 HH12 0.0075 0.0217 0.0597 320 ARG 50 HH21 0.0332 0.0181 0.0461 321 ARG 50 HH22 0.0282 0.0247 0.0583 322 TYR 51 N -0.0127 -0.0170 0.0072 323 TYR 51 CA -0.0118 -0.0160 0.0069 324 TYR 51 C -0.0077 -0.0163 0.0098 325 TYR 51 O -0.0046 -0.0147 0.0106 326 TYR 51 CB -0.0118 -0.0118 0.0038 327 TYR 51 CG -0.0157 -0.0111 0.0007 328 TYR 51 CD1 -0.0162 -0.0101 -0.0003 329 TYR 51 CD2 -0.0189 -0.0115 -0.0011 330 TYR 51 CE1 -0.0197 -0.0095 -0.0031 331 TYR 51 CE2 -0.0225 -0.0109 -0.0039 332 TYR 51 CZ -0.0228 -0.0099 -0.0049 333 TYR 51 OH -0.0264 -0.0093 -0.0076 334 TYR 51 H -0.0111 -0.0150 0.0067 335 TYR 51 HA -0.0142 -0.0178 0.0067 336 TYR 51 HB2 -0.0092 -0.0099 0.0040 337 TYR 51 HB3 -0.0112 -0.0109 0.0035 338 TYR 51 HD1 -0.0137 -0.0098 0.0010 339 TYR 51 HD2 -0.0186 -0.0123 -0.0003 340 TYR 51 HE1 -0.0200 -0.0087 -0.0039 341 TYR 51 HE2 -0.0249 -0.0112 -0.0053 342 TYR 51 HH -0.0255 -0.0070 -0.0088 343 PHE 52 N -0.0156 -0.0023 0.0112 344 PHE 52 CA -0.0149 -0.0026 0.0109 345 PHE 52 C -0.0143 -0.0019 0.0112 346 PHE 52 O -0.0141 -0.0014 0.0115 347 PHE 52 CB -0.0144 -0.0031 0.0103 348 PHE 52 CG -0.0150 -0.0038 0.0100 349 PHE 52 CD1 -0.0154 -0.0038 0.0101 350 PHE 52 CD2 -0.0151 -0.0044 0.0095 351 PHE 52 CE1 -0.0160 -0.0044 0.0098 352 PHE 52 CE2 -0.0156 -0.0051 0.0092 353 PHE 52 CZ -0.0161 -0.0051 0.0093 354 PHE 52 H -0.0154 -0.0021 0.0113 355 PHE 52 HA -0.0153 -0.0028 0.0107 356 PHE 52 HB2 -0.0141 -0.0028 0.0104 357 PHE 52 HB3 -0.0139 -0.0032 0.0100 358 PHE 52 HD1 -0.0154 -0.0033 0.0105 359 PHE 52 HD2 -0.0147 -0.0044 0.0094 360 PHE 52 HE1 -0.0163 -0.0044 0.0099 361 PHE 52 HE2 -0.0157 -0.0056 0.0088 362 PHE 52 HZ -0.0165 -0.0055 0.0091 363 ILE 53 N -0.0064 -0.0015 0.0080 364 ILE 53 CA -0.0059 -0.0002 0.0050 365 ILE 53 C -0.0052 0.0050 0.0028 366 ILE 53 O -0.0049 0.0074 0.0020 367 ILE 53 CB -0.0058 -0.0040 0.0008 368 ILE 53 CG1 -0.0055 -0.0044 -0.0024 369 ILE 53 CG2 -0.0065 -0.0089 0.0029 370 ILE 53 CD1 -0.0054 -0.0080 -0.0067 371 ILE 53 H -0.0065 -0.0043 0.0069 372 ILE 53 HA -0.0062 -0.0003 0.0073 373 ILE 53 HB -0.0055 -0.0026 -0.0014 374 ILE 53 HG12 -0.0059 -0.0057 -0.0002 375 ILE 53 HG13 -0.0050 -0.0009 -0.0038 376 ILE 53 HG21 -0.0069 -0.0103 0.0054 377 ILE 53 HG22 -0.0067 -0.0085 0.0049 378 ILE 53 HG23 -0.0065 -0.0116 -0.0001 379 ILE 53 HD11 -0.0050 -0.0067 -0.0091 380 ILE 53 HD12 -0.0052 -0.0081 -0.0087 381 ILE 53 HD13 -0.0059 -0.0116 -0.0053 382 ASP 54 N -0.0024 0.0129 0.0039 383 ASP 54 CA 0.0039 0.0210 -0.0007 384 ASP 54 C 0.0017 0.0192 0.0013 385 ASP 54 O -0.0027 0.0094 0.0032 386 ASP 54 CB 0.0126 0.0184 -0.0114 387 ASP 54 CG 0.0196 0.0270 -0.0168 388 ASP 54 OD1 0.0227 0.0371 -0.0171 389 ASP 54 OD2 0.0222 0.0236 -0.0208 390 ASP 54 H -0.0053 0.0050 0.0048 391 ASP 54 HA 0.0039 0.0303 0.0022 392 ASP 54 HB2 0.0138 0.0193 -0.0126 393 ASP 54 HB3 0.0125 0.0092 -0.0143 394 SER 55 N 0.0045 0.0206 -0.0083 395 SER 55 CA 0.0029 0.0212 -0.0060 396 SER 55 C 0.0049 0.0160 -0.0088 397 SER 55 O 0.0030 0.0132 -0.0060 398 SER 55 CB 0.0033 0.0288 -0.0068 399 SER 55 OG 0.0019 0.0297 -0.0048 400 SER 55 H 0.0059 0.0246 -0.0103 401 SER 55 HA -0.0003 0.0200 -0.0015 402 SER 55 HB2 0.0015 0.0321 -0.0043 403 SER 55 HB3 0.0064 0.0305 -0.0112 404 SER 55 HG 0.0041 0.0288 -0.0079 405 THR 56 N 0.0107 0.0182 -0.0069 406 THR 56 CA 0.0170 0.0119 0.0022 407 THR 56 C 0.0140 0.0186 -0.0029 408 THR 56 O 0.0128 0.0093 -0.0025 409 THR 56 CB 0.0289 0.0172 0.0163 410 THR 56 OG1 0.0313 0.0127 0.0203 411 THR 56 CG2 0.0356 0.0087 0.0265 412 THR 56 H 0.0146 0.0258 -0.0034 413 THR 56 HA 0.0153 -0.0017 0.0026 414 THR 56 HB 0.0304 0.0307 0.0157 415 THR 56 HG1 0.0293 0.0217 0.0161 416 THR 56 HG21 0.0439 0.0128 0.0363 417 THR 56 HG22 0.0338 -0.0048 0.0268 418 THR 56 HG23 0.0338 0.0121 0.0235 419 ASN 57 N 0.0018 0.0129 -0.0006 420 ASN 57 CA -0.0024 0.0118 -0.0018 421 ASN 57 C -0.0035 0.0111 -0.0029 422 ASN 57 O -0.0056 0.0094 -0.0056 423 ASN 57 CB -0.0055 0.0129 0.0012 424 ASN 57 CG -0.0059 0.0129 0.0013 425 ASN 57 OD1 -0.0086 0.0116 -0.0006 426 ASN 57 ND2 -0.0035 0.0142 0.0033 427 ASN 57 H 0.0021 0.0143 0.0021 428 ASN 57 HA -0.0025 0.0105 -0.0042 429 ASN 57 HB2 -0.0043 0.0144 0.0039 430 ASN 57 HB3 -0.0085 0.0124 0.0010 431 ASN 57 HD21 -0.0014 0.0153 0.0048 432 ASN 57 HD22 -0.0038 0.0142 0.0033 433 LEU 58 N -0.0070 0.0057 -0.0022 434 LEU 58 CA -0.0076 0.0053 -0.0028 435 LEU 58 C -0.0062 0.0040 -0.0052 436 LEU 58 O -0.0075 0.0029 -0.0068 437 LEU 58 CB -0.0069 0.0066 -0.0006 438 LEU 58 CG -0.0070 0.0064 -0.0009 439 LEU 58 CD1 -0.0044 0.0058 -0.0021 440 LEU 58 CD2 -0.0096 0.0055 -0.0023 441 LEU 58 H -0.0059 0.0065 -0.0008 442 LEU 58 HA -0.0098 0.0050 -0.0030 443 LEU 58 HB2 -0.0084 0.0073 0.0008 444 LEU 58 HB3 -0.0049 0.0070 -0.0001 445 LEU 58 HG -0.0071 0.0074 0.0008 446 LEU 58 HD11 -0.0045 0.0057 -0.0023 447 LEU 58 HD12 -0.0042 0.0048 -0.0039 448 LEU 58 HD13 -0.0026 0.0066 -0.0011 449 LEU 58 HD21 -0.0095 0.0044 -0.0040 450 LEU 58 HD22 -0.0096 0.0054 -0.0024 451 LEU 58 HD23 -0.0114 0.0059 -0.0013 452 LYS 59 N 0.0019 0.0131 -0.0140 453 LYS 59 CA 0.0044 0.0025 -0.0157 454 LYS 59 C 0.0044 0.0042 -0.0147 455 LYS 59 O 0.0035 -0.0019 -0.0201 456 LYS 59 CB 0.0107 -0.0057 -0.0088 457 LYS 59 CG 0.0155 -0.0021 0.0026 458 LYS 59 CD 0.0214 -0.0103 0.0088 459 LYS 59 CE 0.0242 -0.0216 0.0072 460 LYS 59 NZ 0.0260 -0.0212 0.0108 461 LYS 59 H 0.0042 0.0150 -0.0086 462 LYS 59 HA 0.0014 -0.0008 -0.0236 463 LYS 59 HB2 0.0122 -0.0134 -0.0107 464 LYS 59 HB3 0.0103 -0.0068 -0.0102 465 LYS 59 HG2 0.0140 0.0058 0.0045 466 LYS 59 HG3 0.0162 -0.0015 0.0043 467 LYS 59 HD2 0.0205 -0.0114 0.0064 468 LYS 59 HD3 0.0245 -0.0070 0.0168 469 LYS 59 HE2 0.0210 -0.0249 -0.0009 470 LYS 59 HE3 0.0281 -0.0271 0.0113 471 LYS 59 HZ1 0.0293 -0.0186 0.0187 472 LYS 59 HZ2 0.0278 -0.0290 0.0096 473 LYS 59 HZ3 0.0224 -0.0160 0.0073 474 THR 60 N 0.0039 0.0084 -0.0145 475 THR 60 CA 0.0020 0.0133 -0.0140 476 THR 60 C -0.0031 0.0184 -0.0249 477 THR 60 O -0.0043 0.0188 -0.0288 478 THR 60 CB 0.0014 0.0216 -0.0039 479 THR 60 OG1 0.0062 0.0165 0.0061 480 THR 60 CG2 -0.0006 0.0268 -0.0032 481 THR 60 H 0.0042 0.0112 -0.0092 482 THR 60 HA 0.0048 0.0071 -0.0134 483 THR 60 HB -0.0013 0.0274 -0.0049 484 THR 60 HG1 0.0070 0.0149 0.0066 485 THR 60 HG21 -0.0011 0.0326 0.0039 486 THR 60 HG22 0.0020 0.0208 -0.0025 487 THR 60 HG23 -0.0042 0.0306 -0.0107 488 HIS 61 N -0.0103 0.0111 -0.0134 489 HIS 61 CA -0.0110 0.0088 -0.0098 490 HIS 61 C -0.0095 0.0118 -0.0087 491 HIS 61 O -0.0103 0.0100 -0.0076 492 HIS 61 CB -0.0113 0.0073 -0.0049 493 HIS 61 CG -0.0113 0.0064 -0.0003 494 HIS 61 ND1 -0.0129 0.0027 0.0003 495 HIS 61 CD2 -0.0096 0.0091 0.0037 496 HIS 61 CE1 -0.0123 0.0032 0.0045 497 HIS 61 NE2 -0.0104 0.0070 0.0065 498 HIS 61 H -0.0098 0.0119 -0.0123 499 HIS 61 HA -0.0126 0.0058 -0.0116 500 HIS 61 HB2 -0.0128 0.0041 -0.0055 501 HIS 61 HB3 -0.0100 0.0099 -0.0040 502 HIS 61 HD1 -0.0144 0.0001 -0.0020 503 HIS 61 HD2 -0.0081 0.0123 0.0045 504 HIS 61 HE1 -0.0131 0.0013 0.0063 505 PHE 62 N -0.0044 0.0086 -0.0112 506 PHE 62 CA -0.0029 0.0096 -0.0121 507 PHE 62 C -0.0040 0.0115 -0.0119 508 PHE 62 O -0.0031 0.0124 -0.0125 509 PHE 62 CB -0.0020 0.0078 -0.0123 510 PHE 62 CG -0.0010 0.0056 -0.0123 511 PHE 62 CD1 0.0005 0.0056 -0.0131 512 PHE 62 CD2 -0.0017 0.0035 -0.0116 513 PHE 62 CE1 0.0013 0.0036 -0.0132 514 PHE 62 CE2 -0.0009 0.0015 -0.0117 515 PHE 62 CZ 0.0006 0.0015 -0.0124 516 PHE 62 H -0.0052 0.0073 -0.0105 517 PHE 62 HA -0.0017 0.0102 -0.0128 518 PHE 62 HB2 -0.0030 0.0073 -0.0116 519 PHE 62 HB3 -0.0007 0.0086 -0.0131 520 PHE 62 HD1 0.0010 0.0073 -0.0137 521 PHE 62 HD2 -0.0029 0.0035 -0.0110 522 PHE 62 HE1 0.0025 0.0037 -0.0138 523 PHE 62 HE2 -0.0014 -0.0001 -0.0111 524 PHE 62 HZ 0.0012 -0.0002 -0.0124 525 ARG 63 N -0.0093 0.0194 -0.0279 526 ARG 63 CA -0.0062 0.0141 -0.0251 527 ARG 63 C -0.0097 0.0141 -0.0292 528 ARG 63 O -0.0077 0.0104 -0.0274 529 ARG 63 CB -0.0003 0.0169 -0.0176 530 ARG 63 CG 0.0037 0.0152 -0.0132 531 ARG 63 CD 0.0095 0.0181 -0.0058 532 ARG 63 NE 0.0123 0.0138 -0.0032 533 ARG 63 CZ 0.0178 0.0141 0.0034 534 ARG 63 NH1 0.0213 0.0181 0.0081 535 ARG 63 NH2 0.0198 0.0103 0.0051 536 ARG 63 H -0.0082 0.0253 -0.0257 537 ARG 63 HA -0.0057 0.0074 -0.0255 538 ARG 63 HB2 -0.0007 0.0239 -0.0171 539 ARG 63 HB3 0.0016 0.0133 -0.0159 540 ARG 63 HG2 0.0042 0.0082 -0.0136 541 ARG 63 HG3 0.0018 0.0187 -0.0149 542 ARG 63 HD2 0.0122 0.0166 -0.0028 543 ARG 63 HD3 0.0090 0.0252 -0.0053 544 ARG 63 HE 0.0098 0.0107 -0.0066 545 ARG 63 HH11 0.0200 0.0210 0.0070 546 ARG 63 HH12 0.0254 0.0184 0.0131 547 ARG 63 HH21 0.0172 0.0071 0.0016 548 ARG 63 HH22 0.0238 0.0103 0.0099 549 SER 64 N -0.0104 0.0095 -0.0146 550 SER 64 CA -0.0094 0.0054 -0.0085 551 SER 64 C -0.0075 0.0147 -0.0021 552 SER 64 O -0.0057 0.0182 0.0055 553 SER 64 CB -0.0085 -0.0033 -0.0010 554 SER 64 OG -0.0101 -0.0109 -0.0062 555 SER 64 H -0.0099 0.0088 -0.0118 556 SER 64 HA -0.0107 0.0021 -0.0137 557 SER 64 HB2 -0.0070 0.0005 0.0051 558 SER 64 HB3 -0.0081 -0.0075 0.0026 559 SER 64 HG -0.0113 -0.0154 -0.0105 560 LYS 65 N -0.0124 0.0015 0.0009 561 LYS 65 CA -0.0016 0.0251 0.0093 562 LYS 65 C 0.0083 0.0216 0.0344 563 LYS 65 O 0.0192 0.0378 0.0483 564 LYS 65 CB -0.0050 0.0414 -0.0100 565 LYS 65 CG -0.0139 0.0281 -0.0211 566 LYS 65 CD -0.0086 0.0193 -0.0028 567 LYS 65 CE -0.0177 0.0064 -0.0147 568 LYS 65 NZ -0.0131 -0.0037 0.0029 569 LYS 65 H -0.0205 -0.0039 -0.0141 570 LYS 65 HA 0.0026 0.0356 0.0117 571 LYS 65 HB2 0.0034 0.0570 -0.0017 572 LYS 65 HB3 -0.0090 0.0491 -0.0246 573 LYS 65 HG2 -0.0160 0.0411 -0.0351 574 LYS 65 HG3 -0.0222 0.0120 -0.0291 575 LYS 65 HD2 -0.0064 0.0063 0.0114 576 LYS 65 HD3 -0.0004 0.0356 0.0047 577 LYS 65 HE2 -0.0193 0.0200 -0.0280 578 LYS 65 HE3 -0.0262 -0.0089 -0.0236 579 LYS 65 HZ1 -0.0049 0.0105 0.0119 580 LYS 65 HZ2 -0.0117 -0.0174 0.0157 581 LYS 65 HZ3 -0.0194 -0.0119 -0.0059 582 ASP 66 N 0.0181 0.0161 0.0582 583 ASP 66 CA 0.0136 0.0163 0.0553 584 ASP 66 C 0.0114 0.0193 0.0547 585 ASP 66 O 0.0081 0.0185 0.0523 586 ASP 66 CB 0.0122 0.0181 0.0549 587 ASP 66 CG 0.0077 0.0175 0.0518 588 ASP 66 OD1 0.0070 0.0138 0.0503 589 ASP 66 OD2 0.0049 0.0208 0.0509 590 ASP 66 H 0.0196 0.0178 0.0596 591 ASP 66 HA 0.0130 0.0127 0.0539 592 ASP 66 HB2 0.0142 0.0163 0.0557 593 ASP 66 HB3 0.0124 0.0218 0.0561 594 HIS 67 N 0.0040 0.0140 0.0279 595 HIS 67 CA 0.0035 0.0117 0.0195 596 HIS 67 C -0.0042 0.0100 0.0185 597 HIS 67 O -0.0039 0.0093 0.0155 598 HIS 67 CB 0.0033 0.0101 0.0138 599 HIS 67 CG 0.0035 0.0078 0.0052 600 HIS 67 ND1 0.0076 0.0077 0.0020 601 HIS 67 CD2 0.0022 0.0060 -0.0006 602 HIS 67 CE1 0.0091 0.0059 -0.0056 603 HIS 67 NE2 0.0060 0.0048 -0.0074 604 HIS 67 H 0.0040 0.0144 0.0291 605 HIS 67 HA 0.0086 0.0121 0.0178 606 HIS 67 HB2 0.0088 0.0111 0.0139 607 HIS 67 HB3 -0.0020 0.0095 0.0150 608 HIS 67 HD1 0.0094 0.0087 0.0047 609 HIS 67 HD2 -0.0022 0.0055 0.0004 610 HIS 67 HE1 0.0123 0.0053 -0.0099 611 LYS 68 N 0.0016 0.0088 0.0077 612 LYS 68 CA 0.0005 0.0115 0.0081 613 LYS 68 C 0.0005 0.0128 0.0110 614 LYS 68 O -0.0001 0.0146 0.0124 615 LYS 68 CB -0.0007 0.0130 0.0055 616 LYS 68 CG -0.0007 0.0115 0.0026 617 LYS 68 CD -0.0019 0.0130 0.0001 618 LYS 68 CE -0.0019 0.0132 0.0000 619 LYS 68 NZ -0.0030 0.0145 -0.0025 620 LYS 68 H 0.0016 0.0083 0.0062 621 LYS 68 HA 0.0005 0.0115 0.0082 622 LYS 68 HB2 -0.0008 0.0131 0.0056 623 LYS 68 HB3 -0.0016 0.0150 0.0057 624 LYS 68 HG2 -0.0005 0.0111 0.0024 625 LYS 68 HG3 0.0002 0.0095 0.0024 626 LYS 68 HD2 -0.0028 0.0151 0.0003 627 LYS 68 HD3 -0.0018 0.0120 -0.0020 628 LYS 68 HE2 -0.0010 0.0111 -0.0001 629 LYS 68 HE3 -0.0020 0.0143 0.0020 630 LYS 68 HZ1 -0.0040 0.0165 -0.0025 631 LYS 68 HZ2 -0.0030 0.0145 -0.0025 632 LYS 68 HZ3 -0.0029 0.0134 -0.0044 633 LYS 69 N 0.0159 0.0133 0.0398 634 LYS 69 CA 0.0092 0.0045 0.0273 635 LYS 69 C -0.0060 0.0087 0.0334 636 LYS 69 O -0.0056 0.0063 0.0299 637 LYS 69 CB 0.0007 -0.0038 0.0153 638 LYS 69 CG -0.0121 -0.0122 0.0033 639 LYS 69 CD -0.0204 -0.0186 -0.0058 640 LYS 69 CE -0.0348 -0.0271 -0.0180 641 LYS 69 NZ -0.0424 -0.0323 -0.0255 642 LYS 69 H 0.0148 0.0124 0.0386 643 LYS 69 HA 0.0208 0.0009 0.0220 644 LYS 69 HB2 0.0122 -0.0080 0.0092 645 LYS 69 HB3 -0.0071 0.0006 0.0217 646 LYS 69 HG2 -0.0230 -0.0077 0.0098 647 LYS 69 HG3 -0.0043 -0.0174 -0.0043 648 LYS 69 HD2 -0.0088 -0.0226 -0.0117 649 LYS 69 HD3 -0.0269 -0.0129 0.0024 650 LYS 69 HE2 -0.0462 -0.0233 -0.0125 651 LYS 69 HE3 -0.0280 -0.0332 -0.0269 652 LYS 69 HZ1 -0.0529 -0.0381 -0.0338 653 LYS 69 HZ2 -0.0485 -0.0263 -0.0169 654 LYS 69 HZ3 -0.0315 -0.0358 -0.0306 655 ARG 70 N 0.0043 -0.0059 0.0317 656 ARG 70 CA -0.0006 -0.0013 0.0234 657 ARG 70 C -0.0070 -0.0014 0.0173 658 ARG 70 O -0.0140 -0.0020 0.0110 659 ARG 70 CB 0.0051 0.0086 0.0212 660 ARG 70 CG 0.0005 0.0135 0.0128 661 ARG 70 CD -0.0040 0.0082 0.0126 662 ARG 70 NE -0.0089 0.0124 0.0046 663 ARG 70 CZ -0.0159 0.0078 0.0015 664 ARG 70 NH1 -0.0190 -0.0014 0.0057 665 ARG 70 NH2 -0.0198 0.0123 -0.0059 666 ARG 70 H 0.0104 -0.0020 0.0346 667 ARG 70 HA -0.0039 -0.0053 0.0233 668 ARG 70 HB2 0.0103 0.0087 0.0260 669 ARG 70 HB3 0.0079 0.0125 0.0208 670 ARG 70 HG2 0.0050 0.0204 0.0117 671 ARG 70 HG3 -0.0042 0.0140 0.0079 672 ARG 70 HD2 -0.0083 0.0012 0.0139 673 ARG 70 HD3 0.0007 0.0079 0.0174 674 ARG 70 HE -0.0066 0.0192 0.0015 675 ARG 70 HH11 -0.0162 -0.0052 0.0114 676 ARG 70 HH12 -0.0243 -0.0051 0.0035 677 ARG 70 HH21 -0.0176 0.0192 -0.0092 678 ARG 70 HH22 -0.0251 0.0092 -0.0086 679 LEU 71 N -0.0004 -0.0018 0.0042 680 LEU 71 CA -0.0047 -0.0030 -0.0004 681 LEU 71 C -0.0101 -0.0046 0.0017 682 LEU 71 O -0.0129 -0.0054 -0.0018 683 LEU 71 CB -0.0062 -0.0034 -0.0019 684 LEU 71 CG -0.0012 -0.0020 -0.0042 685 LEU 71 CD1 -0.0034 -0.0026 -0.0058 686 LEU 71 CD2 0.0019 -0.0011 -0.0094 687 LEU 71 H 0.0006 -0.0015 0.0062 688 LEU 71 HA -0.0030 -0.0025 -0.0044 689 LEU 71 HB2 -0.0080 -0.0040 0.0021 690 LEU 71 HB3 -0.0095 -0.0044 -0.0053 691 LEU 71 HG 0.0018 -0.0011 -0.0005 692 LEU 71 HD11 -0.0065 -0.0035 -0.0095 693 LEU 71 HD12 -0.0055 -0.0032 -0.0020 694 LEU 71 HD13 0.0001 -0.0016 -0.0073 695 LEU 71 HD21 0.0038 -0.0005 -0.0080 696 LEU 71 HD22 -0.0011 -0.0019 -0.0131 697 LEU 71 HD23 0.0053 -0.0001 -0.0109 698 LYS 72 N -0.0001 -0.0122 0.0111 699 LYS 72 CA 0.0038 -0.0051 0.0112 700 LYS 72 C 0.0082 -0.0045 0.0159 701 LYS 72 O 0.0129 -0.0010 0.0192 702 LYS 72 CB 0.0011 -0.0003 0.0051 703 LYS 72 CG 0.0047 0.0073 0.0046 704 LYS 72 CD 0.0017 0.0118 -0.0016 705 LYS 72 CE 0.0053 0.0194 -0.0022 706 LYS 72 NZ 0.0024 0.0238 -0.0083 707 LYS 72 H -0.0038 -0.0132 0.0075 708 LYS 72 HA 0.0055 -0.0037 0.0123 709 LYS 72 HB2 -0.0021 -0.0009 0.0018 710 LYS 72 HB3 -0.0007 -0.0018 0.0040 711 LYS 72 HG2 0.0077 0.0081 0.0076 712 LYS 72 HG3 0.0067 0.0089 0.0059 713 LYS 72 HD2 -0.0013 0.0109 -0.0046 714 LYS 72 HD3 -0.0002 0.0103 -0.0029 715 LYS 72 HE2 0.0082 0.0202 0.0007 716 LYS 72 HE3 0.0073 0.0208 -0.0007 717 LYS 72 HZ1 0.0004 0.0226 -0.0098 718 LYS 72 HZ2 -0.0005 0.0231 -0.0111 719 LYS 72 HZ3 0.0050 0.0290 -0.0085 720 GLN 73 N -0.0218 -0.0161 0.0188 721 GLN 73 CA -0.0251 -0.0173 0.0196 722 GLN 73 C -0.0291 -0.0128 0.0120 723 GLN 73 O -0.0360 -0.0139 0.0113 724 GLN 73 CB -0.0174 -0.0181 0.0231 725 GLN 73 CG -0.0133 -0.0228 0.0309 726 GLN 73 CD -0.0055 -0.0233 0.0341 727 GLN 73 OE1 -0.0006 -0.0193 0.0299 728 GLN 73 NE2 -0.0043 -0.0282 0.0414 729 GLN 73 H -0.0154 -0.0153 0.0197 730 GLN 73 HA -0.0303 -0.0210 0.0233 731 GLN 73 HB2 -0.0121 -0.0145 0.0195 732 GLN 73 HB3 -0.0199 -0.0189 0.0235 733 GLN 73 HG2 -0.0185 -0.0265 0.0347 734 GLN 73 HG3 -0.0110 -0.0221 0.0307 735 GLN 73 HE21 -0.0085 -0.0311 0.0444 736 GLN 73 HE22 0.0007 -0.0288 0.0438 737 LEU 74 N -0.0186 -0.0187 0.0007 738 LEU 74 CA -0.0201 -0.0159 -0.0053 739 LEU 74 C -0.0254 -0.0170 -0.0082 740 LEU 74 O -0.0278 -0.0154 -0.0130 741 LEU 74 CB -0.0149 -0.0119 -0.0076 742 LEU 74 CG -0.0153 -0.0086 -0.0138 743 LEU 74 CD1 -0.0166 -0.0085 -0.0150 744 LEU 74 CD2 -0.0098 -0.0048 -0.0155 745 LEU 74 H -0.0155 -0.0180 0.0023 746 LEU 74 HA -0.0211 -0.0160 -0.0060 747 LEU 74 HB2 -0.0112 -0.0115 -0.0052 748 LEU 74 HB3 -0.0143 -0.0120 -0.0070 749 LEU 74 HG -0.0188 -0.0089 -0.0163 750 LEU 74 HD11 -0.0168 -0.0061 -0.0194 751 LEU 74 HD12 -0.0132 -0.0083 -0.0125 752 LEU 74 HD13 -0.0206 -0.0111 -0.0141 753 LEU 74 HD21 -0.0063 -0.0044 -0.0131 754 LEU 74 HD22 -0.0102 -0.0025 -0.0198 755 LEU 74 HD23 -0.0091 -0.0049 -0.0148 756 SER 75 N -0.0008 -0.0149 -0.0040 757 SER 75 CA 0.0142 -0.0119 0.0020 758 SER 75 C 0.0022 -0.0391 0.0120 759 SER 75 O 0.0166 -0.0449 0.0230 760 SER 75 CB 0.0492 -0.0045 0.0157 761 SER 75 OG 0.0643 0.0004 0.0206 762 SER 75 H -0.0165 -0.0044 -0.0184 763 SER 75 HA 0.0076 0.0059 -0.0121 764 SER 75 HB2 0.0562 0.0149 0.0077 765 SER 75 HB3 0.0556 -0.0223 0.0296 766 SER 75 HG 0.0805 0.0176 0.0187 767 VAL 76 N -0.0048 -0.0195 -0.0119 768 VAL 76 CA -0.0038 -0.0182 -0.0151 769 VAL 76 C -0.0058 -0.0181 -0.0154 770 VAL 76 O -0.0079 -0.0172 -0.0179 771 VAL 76 CB 0.0004 -0.0179 -0.0153 772 VAL 76 CG1 0.0015 -0.0166 -0.0186 773 VAL 76 CG2 0.0025 -0.0180 -0.0150 774 VAL 76 H -0.0029 -0.0202 -0.0101 775 VAL 76 HA -0.0046 -0.0174 -0.0172 776 VAL 76 HB 0.0012 -0.0188 -0.0131 777 VAL 76 HG11 0.0044 -0.0164 -0.0186 778 VAL 76 HG12 0.0006 -0.0157 -0.0208 779 VAL 76 HG13 0.0001 -0.0166 -0.0187 780 VAL 76 HG21 0.0055 -0.0178 -0.0150 781 VAL 76 HG22 0.0018 -0.0190 -0.0125 782 VAL 76 HG23 0.0017 -0.0172 -0.0171 783 GLU 77 N -0.0028 -0.0082 -0.0158 784 GLU 77 CA -0.0049 -0.0084 -0.0156 785 GLU 77 C -0.0060 -0.0104 -0.0110 786 GLU 77 O -0.0030 -0.0113 -0.0085 787 GLU 77 CB -0.0019 -0.0072 -0.0179 788 GLU 77 CG 0.0032 -0.0076 -0.0164 789 GLU 77 CD 0.0059 -0.0065 -0.0185 790 GLU 77 OE1 0.0071 -0.0048 -0.0223 791 GLU 77 OE2 0.0069 -0.0073 -0.0164 792 GLU 77 H -0.0006 -0.0091 -0.0134 793 GLU 77 HA -0.0082 -0.0078 -0.0174 794 GLU 77 HB2 -0.0034 -0.0076 -0.0171 795 GLU 77 HB3 -0.0020 -0.0057 -0.0213 796 GLU 77 HG2 0.0049 -0.0071 -0.0171 797 GLU 77 HG3 0.0034 -0.0090 -0.0129 798 PRO 78 N 0.0049 -0.0006 -0.0162 799 PRO 78 CA 0.0021 -0.0009 -0.0107 800 PRO 78 C 0.0021 0.0017 -0.0167 801 PRO 78 O -0.0014 0.0068 -0.0228 802 PRO 78 CB -0.0061 0.0033 -0.0058 803 PRO 78 CG -0.0066 0.0040 -0.0067 804 PRO 78 CD -0.0012 0.0036 -0.0155 805 PRO 78 HA 0.0057 -0.0055 -0.0061 806 PRO 78 HB2 -0.0102 0.0076 -0.0089 807 PRO 78 HB3 -0.0071 0.0011 0.0011 808 PRO 78 HG2 -0.0124 0.0084 -0.0068 809 PRO 78 HG3 -0.0047 0.0003 -0.0013 810 PRO 78 HD2 -0.0040 0.0080 -0.0209 811 PRO 78 HD3 0.0013 0.0016 -0.0152 812 TYR 79 N 0.0433 -0.0020 -0.0229 813 TYR 79 CA 0.0200 -0.0044 -0.0125 814 TYR 79 C 0.0154 -0.0149 -0.0163 815 TYR 79 O 0.0104 -0.0347 -0.0254 816 TYR 79 CB 0.0040 -0.0158 -0.0111 817 TYR 79 CG 0.0062 -0.0037 -0.0051 818 TYR 79 CD1 0.0209 -0.0070 -0.0145 819 TYR 79 CD2 -0.0063 0.0112 0.0099 820 TYR 79 CE1 0.0231 0.0042 -0.0090 821 TYR 79 CE2 -0.0042 0.0224 0.0155 822 TYR 79 CZ 0.0105 0.0189 0.0060 823 TYR 79 OH 0.0128 0.0303 0.0115 824 TYR 79 H 0.0528 0.0124 -0.0192 825 TYR 79 HA 0.0179 0.0117 -0.0020 826 TYR 79 HB2 0.0071 -0.0314 -0.0219 827 TYR 79 HB3 -0.0127 -0.0175 -0.0037 828 TYR 79 HD1 0.0307 -0.0186 -0.0263 829 TYR 79 HD2 -0.0179 0.0139 0.0174 830 TYR 79 HE1 0.0347 0.0013 -0.0166 831 TYR 79 HE2 -0.0141 0.0339 0.0273 832 TYR 79 HH 0.0140 0.0450 0.0195 833 SER 80 N 0.0218 -0.0045 -0.0105 834 SER 80 CA 0.0193 -0.0033 -0.0070 835 SER 80 C 0.0195 -0.0035 -0.0054 836 SER 80 O 0.0221 -0.0047 -0.0066 837 SER 80 CB 0.0153 -0.0013 -0.0085 838 SER 80 OG 0.0126 -0.0000 -0.0052 839 SER 80 H 0.0210 -0.0041 -0.0132 840 SER 80 HA 0.0201 -0.0037 -0.0045 841 SER 80 HB2 0.0153 -0.0013 -0.0098 842 SER 80 HB3 0.0145 -0.0008 -0.0109 843 SER 80 HG 0.0130 -0.0002 -0.0037 844 GLN 81 N 0.0192 -0.0042 -0.0103 845 GLN 81 CA 0.0151 -0.0039 -0.0064 846 GLN 81 C 0.0145 0.0011 -0.0023 847 GLN 81 O 0.0182 0.0050 -0.0027 848 GLN 81 CB 0.0156 -0.0040 -0.0070 849 GLN 81 CG 0.0110 -0.0045 -0.0033 850 GLN 81 CD 0.0115 -0.0042 -0.0034 851 GLN 81 OE1 0.0154 -0.0014 -0.0049 852 GLN 81 NE2 0.0077 -0.0069 -0.0019 853 GLN 81 H 0.0223 -0.0037 -0.0126 854 GLN 81 HA 0.0119 -0.0073 -0.0060 855 GLN 81 HB2 0.0166 -0.0073 -0.0101 856 GLN 81 HB3 0.0185 -0.0004 -0.0069 857 GLN 81 HG2 0.0100 -0.0014 -0.0001 858 GLN 81 HG3 0.0082 -0.0083 -0.0035 859 GLN 81 HE21 0.0047 -0.0089 -0.0008 860 GLN 81 HE22 0.0078 -0.0067 -0.0019 861 GLU 82 N 0.0086 -0.0065 0.0069 862 GLU 82 CA 0.0049 0.0015 0.0039 863 GLU 82 C 0.0135 -0.0004 -0.0050 864 GLU 82 O 0.0122 0.0050 -0.0086 865 GLU 82 CB -0.0020 0.0139 0.0008 866 GLU 82 CG -0.0064 0.0227 -0.0022 867 GLU 82 CD -0.0133 0.0343 -0.0045 868 GLU 82 OE1 -0.0100 0.0395 -0.0136 869 GLU 82 OE2 -0.0223 0.0385 0.0028 870 GLU 82 H 0.0082 -0.0132 0.0138 871 GLU 82 HA 0.0010 -0.0010 0.0113 872 GLU 82 HB2 -0.0079 0.0144 0.0077 873 GLU 82 HB3 0.0020 0.0159 -0.0063 874 GLU 82 HG2 -0.0007 0.0228 -0.0094 875 GLU 82 HG3 -0.0103 0.0207 0.0047 876 GLU 83 N 0.0093 0.0075 0.0152 877 GLU 83 CA -0.0004 0.0092 0.0231 878 GLU 83 C -0.0185 0.0009 0.0131 879 GLU 83 O -0.0349 0.0014 0.0211 880 GLU 83 CB 0.0139 0.0121 0.0232 881 GLU 83 CG 0.0052 0.0141 0.0311 882 GLU 83 CD 0.0204 0.0179 0.0327 883 GLU 83 OE1 0.0269 0.0128 0.0191 884 GLU 83 OE2 0.0263 0.0262 0.0479 885 GLU 83 H 0.0129 0.0020 0.0022 886 GLU 83 HA -0.0054 0.0147 0.0369 887 GLU 83 HB2 0.0260 0.0182 0.0309 888 GLU 83 HB3 0.0196 0.0068 0.0094 889 GLU 83 HG2 -0.0057 0.0079 0.0226 890 GLU 83 HG3 -0.0018 0.0190 0.0444 891 ALA 84 N -0.0068 -0.0091 0.0216 892 ALA 84 CA -0.0328 -0.0215 0.0040 893 ALA 84 C -0.0335 -0.0236 -0.0086 894 ALA 84 O -0.0481 -0.0323 -0.0305 895 ALA 84 CB -0.0335 -0.0254 -0.0213 896 ALA 84 H 0.0116 -0.0037 0.0103 897 ALA 84 HA -0.0512 -0.0263 0.0197 898 ALA 84 HB1 -0.0525 -0.0345 -0.0342 899 ALA 84 HB2 -0.0143 -0.0203 -0.0364 900 ALA 84 HB3 -0.0349 -0.0245 -0.0112 901 GLU 85 N 0.0185 -0.0158 0.0125 902 GLU 85 CA 0.0071 -0.0217 0.0167 903 GLU 85 C -0.0013 -0.0098 0.0185 904 GLU 85 O 0.0001 -0.0048 0.0176 905 GLU 85 CB 0.0101 -0.0317 0.0165 906 GLU 85 CG -0.0008 -0.0406 0.0208 907 GLU 85 CD -0.0118 -0.0338 0.0239 908 GLU 85 OE1 -0.0111 -0.0328 0.0236 909 GLU 85 OE2 -0.0213 -0.0292 0.0266 910 GLU 85 H 0.0190 -0.0061 0.0115 911 GLU 85 HA 0.0026 -0.0268 0.0186 912 GLU 85 HB2 0.0183 -0.0380 0.0143 913 GLU 85 HB3 0.0127 -0.0258 0.0152 914 GLU 85 HG2 -0.0042 -0.0429 0.0222 915 GLU 85 HG3 0.0030 -0.0495 0.0203 916 ARG 86 N 0.0050 -0.0003 0.0016 917 ARG 86 CA 0.0046 -0.0043 -0.0033 918 ARG 86 C 0.0051 -0.0039 -0.0112 919 ARG 86 O 0.0062 0.0015 -0.0136 920 ARG 86 CB 0.0048 -0.0025 -0.0020 921 ARG 86 CG 0.0062 0.0055 -0.0012 922 ARG 86 CD 0.0073 0.0098 -0.0080 923 ARG 86 NE 0.0086 0.0174 -0.0066 924 ARG 86 CZ 0.0098 0.0228 -0.0109 925 ARG 86 NH1 0.0099 0.0214 -0.0172 926 ARG 86 NH2 0.0108 0.0295 -0.0089 927 ARG 86 H 0.0060 0.0048 0.0008 928 ARG 86 HA 0.0035 -0.0098 -0.0018 929 ARG 86 HB2 0.0047 -0.0046 -0.0064 930 ARG 86 HB3 0.0041 -0.0052 0.0029 931 ARG 86 HG2 0.0062 0.0060 0.0001 932 ARG 86 HG3 0.0063 0.0077 0.0032 933 ARG 86 HD2 0.0073 0.0090 -0.0096 934 ARG 86 HD3 0.0072 0.0080 -0.0122 935 ARG 86 HE 0.0085 0.0185 -0.0020 936 ARG 86 HH11 0.0091 0.0165 -0.0191 937 ARG 86 HH12 0.0108 0.0254 -0.0205 938 ARG 86 HH21 0.0108 0.0307 -0.0042 939 ARG 86 HH22 0.0117 0.0336 -0.0119 940 ALA 87 N 0.0079 -0.0043 0.0052 941 ALA 87 CA -0.0120 -0.0046 0.0024 942 ALA 87 C -0.0245 0.0175 0.0283 943 ALA 87 O -0.0271 0.0238 0.0358 944 ALA 87 CB 0.0088 -0.0139 -0.0067 945 ALA 87 H 0.0299 0.0001 0.0132 946 ALA 87 HA -0.0321 -0.0138 -0.0113 947 ALA 87 HB1 0.0292 -0.0050 0.0068 948 ALA 87 HB2 0.0175 -0.0296 -0.0250 949 ALA 87 HB3 -0.0057 -0.0138 -0.0082 950 ALA 88 N 0.0473 0.0023 -0.0510 951 ALA 88 CA 0.0440 0.0043 -0.0397 952 ALA 88 C 0.0281 0.0256 -0.0421 953 ALA 88 O 0.0171 0.0365 -0.0261 954 ALA 88 CB 0.0462 -0.0040 -0.0131 955 ALA 88 H 0.0398 0.0113 -0.0472 956 ALA 88 HA 0.0517 -0.0038 -0.0493 957 ALA 88 HB1 0.0384 0.0042 -0.0032 958 ALA 88 HB2 0.0577 -0.0192 -0.0119 959 ALA 88 HB3 0.0439 -0.0026 -0.0054 960 GLY 89 N -0.1013 0.0236 0.0189 961 GLY 89 CA -0.0159 -0.0208 0.0289 962 GLY 89 C 0.0940 -0.0188 0.0743 963 GLY 89 O 0.1183 -0.0614 0.0606 964 GLY 89 H -0.0872 0.0679 0.0491 965 GLY 89 HA2 -0.0236 -0.0994 -0.0177 966 GLY 89 HA3 -0.0229 0.0222 0.0498 967 MET 90 N -0.0122 -0.0013 -0.0034 968 MET 90 CA -0.0096 -0.0009 -0.0031 969 MET 90 C -0.0076 -0.0029 -0.0046 970 MET 90 O -0.0077 -0.0046 -0.0058 971 MET 90 CB -0.0100 -0.0003 -0.0027 972 MET 90 CG -0.0075 0.0006 -0.0021 973 MET 90 SD -0.0045 -0.0013 -0.0035 974 MET 90 CE -0.0022 0.0002 -0.0024 975 MET 90 H -0.0127 -0.0002 -0.0026 976 MET 90 HA -0.0086 0.0006 -0.0021 977 MET 90 HB2 -0.0117 0.0009 -0.0018 978 MET 90 HB3 -0.0107 -0.0019 -0.0038 979 MET 90 HG2 -0.0067 0.0021 -0.0010 980 MET 90 HG3 -0.0081 0.0010 -0.0018 981 MET 90 HE1 -0.0017 0.0018 -0.0013 982 MET 90 HE2 -0.0003 -0.0007 -0.0031 983 MET 90 HE3 -0.0032 0.0006 -0.0022 984 GLY 91 N -0.0010 0.0046 -0.0030 985 GLY 91 CA -0.0037 0.0085 -0.0026 986 GLY 91 C -0.0089 0.0044 -0.0006 987 GLY 91 O -0.0080 0.0019 -0.0007 988 GLY 91 H 0.0011 -0.0001 -0.0032 989 GLY 91 HA2 -0.0059 0.0134 -0.0023 990 GLY 91 HA3 0.0003 0.0095 -0.0038 991 SER 92 N -0.0000 -0.0052 -0.0000 992 SER 92 CA 0.0012 -0.0054 0.0017 993 SER 92 C 0.0025 -0.0061 0.0034 994 SER 92 O 0.0028 -0.0047 0.0041 995 SER 92 CB 0.0014 -0.0031 0.0021 996 SER 92 OG 0.0002 -0.0026 0.0005 997 SER 92 H -0.0001 -0.0039 0.0000 998 SER 92 HA 0.0011 -0.0069 0.0014 999 SER 92 HB2 0.0015 -0.0017 0.0024 1000 SER 92 HB3 0.0023 -0.0034 0.0034 1001 SER 92 HG -0.0005 -0.0036 -0.0006 1002 TYR 93 N 0.0002 0.0001 0.0012 1003 TYR 93 CA -0.0000 0.0002 0.0009 1004 TYR 93 C -0.0001 0.0002 0.0008 1005 TYR 93 O 0.0000 0.0002 0.0010 1006 TYR 93 CB 0.0001 0.0006 0.0008 1007 TYR 93 CG -0.0001 0.0007 0.0006 1008 TYR 93 CD1 -0.0002 0.0007 0.0005 1009 TYR 93 CD2 -0.0001 0.0009 0.0004 1010 TYR 93 CE1 -0.0003 0.0008 0.0002 1011 TYR 93 CE2 -0.0003 0.0010 0.0002 1012 TYR 93 CZ -0.0004 0.0010 0.0001 1013 TYR 93 OH -0.0006 0.0012 -0.0002 1014 TYR 93 H 0.0003 0.0002 0.0013 1015 TYR 93 HA -0.0001 0.0001 0.0008 1016 TYR 93 HB2 0.0002 0.0006 0.0009 1017 TYR 93 HB3 0.0002 0.0007 0.0009 1018 TYR 93 HD1 -0.0001 0.0006 0.0006 1019 TYR 93 HD2 -0.0001 0.0009 0.0005 1020 TYR 93 HE1 -0.0004 0.0008 0.0002 1021 TYR 93 HE2 -0.0004 0.0012 0.0001 1022 TYR 93 HH -0.0007 0.0011 -0.0002 1023 VAL 94 N 0.0016 0.0002 -0.0000 1024 VAL 94 CA 0.0013 0.0000 0.0000 1025 VAL 94 C 0.0012 -0.0000 0.0000 1026 VAL 94 O 0.0012 0.0002 0.0001 1027 VAL 94 CB 0.0010 0.0002 0.0001 1028 VAL 94 CG1 0.0009 0.0005 0.0002 1029 VAL 94 CG2 0.0007 -0.0001 0.0001 1030 VAL 94 H 0.0016 0.0004 0.0001 1031 VAL 94 HA 0.0013 -0.0002 -0.0001 1032 VAL 94 HB 0.0011 0.0001 0.0001 1033 VAL 94 HG11 0.0007 0.0006 0.0003 1034 VAL 94 HG12 0.0009 0.0005 0.0002 1035 VAL 94 HG13 0.0011 0.0006 0.0002 1036 VAL 94 HG21 0.0007 -0.0001 0.0001 1037 VAL 94 HG22 0.0005 0.0000 0.0002 1038 VAL 94 HG23 0.0008 -0.0003 0.0000