1 ASP 28 N 0.0468 -0.0193 0.0430 2 ASP 28 CA 0.0380 -0.0294 0.0255 3 ASP 28 C 0.0240 -0.0167 0.0121 4 ASP 28 O 0.0195 0.0020 0.0153 5 ASP 28 CB 0.0391 -0.0324 0.0255 6 ASP 28 CG 0.0304 -0.0429 0.0079 7 ASP 28 OD1 0.0328 -0.0611 0.0020 8 ASP 28 OD2 0.0215 -0.0336 0.0001 9 ASP 28 H 0.0566 -0.0276 0.0526 10 ASP 28 HA 0.0410 -0.0441 0.0223 11 ASP 28 HB2 0.0492 -0.0416 0.0351 12 ASP 28 HB3 0.0364 -0.0177 0.0291 13 PRO 29 N 0.0238 -0.0153 -0.0076 14 PRO 29 CA 0.0109 -0.0008 -0.0250 15 PRO 29 C 0.0077 0.0023 -0.0309 16 PRO 29 O 0.0157 -0.0129 -0.0353 17 PRO 29 CB 0.0118 -0.0111 -0.0469 18 PRO 29 CG 0.0235 -0.0272 -0.0383 19 PRO 29 CD 0.0327 -0.0339 -0.0170 20 PRO 29 HA 0.0035 0.0141 -0.0191 21 PRO 29 HB2 0.0128 -0.0177 -0.0594 22 PRO 29 HB3 0.0030 0.0005 -0.0547 23 PRO 29 HG2 0.0281 -0.0402 -0.0519 24 PRO 29 HG3 0.0207 -0.0205 -0.0336 25 PRO 29 HD2 0.0393 -0.0471 -0.0220 26 PRO 29 HD3 0.0379 -0.0376 -0.0046 27 ASN 30 N 0.0013 0.0111 -0.0248 28 ASN 30 CA -0.0023 0.0150 -0.0249 29 ASN 30 C 0.0036 0.0126 -0.0158 30 ASN 30 O 0.0084 0.0059 -0.0184 31 ASN 30 CB -0.0048 0.0122 -0.0373 32 ASN 30 CG -0.0084 0.0158 -0.0385 33 ASN 30 OD1 -0.0160 0.0236 -0.0405 34 ASN 30 ND2 -0.0032 0.0103 -0.0376 35 ASN 30 H -0.0023 0.0153 -0.0244 36 ASN 30 HA -0.0079 0.0226 -0.0225 37 ASN 30 HB2 -0.0095 0.0150 -0.0429 38 ASN 30 HB3 0.0009 0.0046 -0.0396 39 ASN 30 HD21 0.0028 0.0040 -0.0362 40 ASN 30 HD22 -0.0054 0.0125 -0.0382 41 ALA 31 N 0.0042 0.0221 -0.0006 42 ALA 31 CA 0.0069 0.0225 0.0040 43 ALA 31 C 0.0067 0.0276 0.0094 44 ALA 31 O 0.0095 0.0272 0.0132 45 ALA 31 CB 0.0120 0.0171 0.0057 46 ALA 31 H 0.0032 0.0244 0.0005 47 ALA 31 HA 0.0054 0.0230 0.0023 48 ALA 31 HB1 0.0138 0.0174 0.0090 49 ALA 31 HB2 0.0136 0.0165 0.0075 50 ALA 31 HB3 0.0121 0.0135 0.0019 51 GLU 32 N 0.0027 0.0247 0.0067 52 GLU 32 CA 0.0004 0.0234 0.0082 53 GLU 32 C 0.0003 0.0199 0.0096 54 GLU 32 O -0.0018 0.0184 0.0111 55 GLU 32 CB 0.0011 0.0236 0.0078 56 GLU 32 CG 0.0043 0.0218 0.0071 57 GLU 32 CD 0.0049 0.0220 0.0068 58 GLU 32 OE1 0.0039 0.0199 0.0080 59 GLU 32 OE2 0.0062 0.0242 0.0053 60 GLU 32 H 0.0047 0.0247 0.0058 61 GLU 32 HA -0.0018 0.0249 0.0087 62 GLU 32 HB2 -0.0006 0.0227 0.0090 63 GLU 32 HB3 0.0011 0.0261 0.0068 64 GLU 32 HG2 0.0062 0.0227 0.0059 65 GLU 32 HG3 0.0044 0.0193 0.0080 66 PHE 33 N 0.0030 0.0162 0.0076 67 PHE 33 CA 0.0040 0.0160 0.0086 68 PHE 33 C 0.0040 0.0200 0.0063 69 PHE 33 O 0.0036 0.0229 0.0042 70 PHE 33 CB 0.0077 0.0158 0.0124 71 PHE 33 CG 0.0104 0.0192 0.0130 72 PHE 33 CD1 0.0121 0.0231 0.0123 73 PHE 33 CD2 0.0111 0.0184 0.0142 74 PHE 33 CE1 0.0145 0.0262 0.0128 75 PHE 33 CE2 0.0136 0.0215 0.0147 76 PHE 33 CZ 0.0152 0.0254 0.0141 77 PHE 33 H 0.0046 0.0180 0.0081 78 PHE 33 HA 0.0022 0.0133 0.0085 79 PHE 33 HB2 0.0085 0.0161 0.0130 80 PHE 33 HB3 0.0076 0.0128 0.0140 81 PHE 33 HD1 0.0115 0.0238 0.0114 82 PHE 33 HD2 0.0098 0.0154 0.0147 83 PHE 33 HE1 0.0158 0.0293 0.0123 84 PHE 33 HE2 0.0142 0.0209 0.0157 85 PHE 33 HZ 0.0171 0.0278 0.0145 86 ASP 34 N 0.0009 0.0164 0.0042 87 ASP 34 CA -0.0004 0.0231 0.0013 88 ASP 34 C 0.0031 0.0276 0.0059 89 ASP 34 O 0.0053 0.0249 0.0094 90 ASP 34 CB -0.0039 0.0219 -0.0038 91 ASP 34 CG -0.0057 0.0286 -0.0074 92 ASP 34 OD1 -0.0039 0.0330 -0.0053 93 ASP 34 OD2 -0.0089 0.0297 -0.0123 94 ASP 34 H 0.0012 0.0129 0.0050 95 ASP 34 HA -0.0012 0.0258 -0.0004 96 ASP 34 HB2 -0.0062 0.0182 -0.0067 97 ASP 34 HB3 -0.0029 0.0198 -0.0020 98 PRO 35 N 0.0058 0.0372 0.0031 99 PRO 35 CA 0.0080 0.0424 0.0079 100 PRO 35 C 0.0073 0.0471 0.0058 101 PRO 35 O 0.0091 0.0518 0.0094 102 PRO 35 CB 0.0085 0.0469 0.0087 103 PRO 35 CG 0.0058 0.0470 0.0020 104 PRO 35 CD 0.0043 0.0398 -0.0008 105 PRO 35 HA 0.0098 0.0399 0.0125 106 PRO 35 HB2 0.0094 0.0521 0.0103 107 PRO 35 HB3 0.0099 0.0444 0.0123 108 PRO 35 HG2 0.0048 0.0512 -0.0009 109 PRO 35 HG3 0.0060 0.0479 0.0024 110 PRO 35 HD2 0.0022 0.0403 -0.0060 111 PRO 35 HD3 0.0044 0.0364 -0.0002 112 ASP 36 N 0.0015 0.0433 0.0026 113 ASP 36 CA 0.0006 0.0472 0.0004 114 ASP 36 C 0.0007 0.0407 0.0016 115 ASP 36 O 0.0020 0.0429 0.0035 116 ASP 36 CB -0.0040 0.0505 -0.0077 117 ASP 36 CG -0.0053 0.0542 -0.0104 118 ASP 36 OD1 -0.0033 0.0614 -0.0083 119 ASP 36 OD2 -0.0083 0.0500 -0.0147 120 ASP 36 H -0.0009 0.0394 -0.0007 121 ASP 36 HA 0.0032 0.0525 0.0039 122 ASP 36 HB2 -0.0039 0.0554 -0.0083 123 ASP 36 HB3 -0.0066 0.0452 -0.0111 124 LEU 37 N -0.0010 0.0289 0.0016 125 LEU 37 CA -0.0012 0.0236 0.0019 126 LEU 37 C 0.0022 0.0206 0.0080 127 LEU 37 O 0.0038 0.0193 0.0110 128 LEU 37 CB -0.0042 0.0182 -0.0023 129 LEU 37 CG -0.0079 0.0198 -0.0088 130 LEU 37 CD1 -0.0084 0.0216 -0.0099 131 LEU 37 CD2 -0.0089 0.0252 -0.0112 132 LEU 37 H -0.0014 0.0279 0.0010 133 LEU 37 HA -0.0017 0.0259 0.0007 134 LEU 37 HB2 -0.0039 0.0169 -0.0018 135 LEU 37 HB3 -0.0037 0.0138 -0.0010 136 LEU 37 HG -0.0096 0.0153 -0.0111 137 LEU 37 HD11 -0.0110 0.0226 -0.0144 138 LEU 37 HD12 -0.0067 0.0260 -0.0076 139 LEU 37 HD13 -0.0078 0.0175 -0.0084 140 LEU 37 HD21 -0.0115 0.0262 -0.0157 141 LEU 37 HD22 -0.0087 0.0236 -0.0108 142 LEU 37 HD23 -0.0072 0.0297 -0.0089 143 PRO 38 N 0.0011 0.0179 0.0082 144 PRO 38 CA 0.0028 0.0157 0.0134 145 PRO 38 C 0.0029 0.0093 0.0139 146 PRO 38 O 0.0016 0.0059 0.0102 147 PRO 38 CB 0.0027 0.0169 0.0133 148 PRO 38 CG 0.0014 0.0215 0.0092 149 PRO 38 CD 0.0001 0.0206 0.0050 150 PRO 38 HA 0.0039 0.0179 0.0168 151 PRO 38 HB2 0.0023 0.0130 0.0121 152 PRO 38 HB3 0.0041 0.0183 0.0173 153 PRO 38 HG2 0.0008 0.0212 0.0073 154 PRO 38 HG3 0.0021 0.0257 0.0111 155 PRO 38 HD2 -0.0010 0.0178 0.0018 156 PRO 38 HD3 -0.0004 0.0246 0.0033 157 GLY 39 N 0.0034 0.0077 0.0201 158 GLY 39 CA 0.0042 0.0014 0.0210 159 GLY 39 C 0.0036 -0.0007 0.0181 160 GLY 39 O 0.0037 -0.0061 0.0166 161 GLY 39 H 0.0040 0.0106 0.0233 162 GLY 39 HA2 0.0056 0.0005 0.0256 163 GLY 39 HA3 0.0040 -0.0011 0.0192 164 GLY 40 N 0.0056 0.0054 0.0167 165 GLY 40 CA 0.0038 0.0057 0.0138 166 GLY 40 C 0.0001 0.0034 0.0079 167 GLY 40 O -0.0017 0.0027 0.0050 168 GLY 40 H 0.0061 0.0095 0.0177 169 GLY 40 HA2 0.0036 0.0106 0.0138 170 GLY 40 HA3 0.0051 0.0026 0.0158 171 GLY 41 N -0.0005 0.0024 0.0062 172 GLY 41 CA -0.0030 0.0000 0.0008 173 GLY 41 C -0.0028 -0.0068 0.0004 174 GLY 41 O -0.0048 -0.0095 -0.0040 175 GLY 41 H 0.0006 0.0037 0.0086 176 GLY 41 HA2 -0.0035 0.0011 -0.0001 177 GLY 41 HA3 -0.0046 0.0022 -0.0021 178 LEU 42 N -0.0022 -0.0090 0.0058 179 LEU 42 CA -0.0021 -0.0155 0.0062 180 LEU 42 C -0.0012 -0.0206 0.0076 181 LEU 42 O -0.0015 -0.0264 0.0074 182 LEU 42 CB 0.0011 -0.0154 0.0106 183 LEU 42 CG 0.0007 -0.0106 0.0099 184 LEU 42 CD1 0.0040 -0.0110 0.0146 185 LEU 42 CD2 -0.0030 -0.0117 0.0047 186 LEU 42 H 0.0002 -0.0065 0.0091 187 LEU 42 HA -0.0047 -0.0167 0.0026 188 LEU 42 HB2 0.0037 -0.0144 0.0143 189 LEU 42 HB3 0.0012 -0.0203 0.0109 190 LEU 42 HG 0.0007 -0.0057 0.0098 191 LEU 42 HD11 0.0037 -0.0076 0.0140 192 LEU 42 HD12 0.0042 -0.0159 0.0149 193 LEU 42 HD13 0.0066 -0.0098 0.0182 194 LEU 42 HD21 -0.0032 -0.0166 0.0047 195 LEU 42 HD22 -0.0032 -0.0082 0.0044 196 LEU 42 HD23 -0.0054 -0.0110 0.0014 197 HIS 43 N 0.0013 -0.0155 0.0082 198 HIS 43 CA 0.0018 -0.0171 0.0081 199 HIS 43 C 0.0000 -0.0140 0.0036 200 HIS 43 O -0.0011 -0.0090 0.0045 201 HIS 43 CB 0.0026 -0.0159 0.0138 202 HIS 43 CG 0.0042 -0.0183 0.0189 203 HIS 43 ND1 0.0059 -0.0237 0.0204 204 HIS 43 CD2 0.0044 -0.0159 0.0227 205 HIS 43 CE1 0.0071 -0.0246 0.0250 206 HIS 43 NE2 0.0062 -0.0199 0.0265 207 HIS 43 H 0.0004 -0.0114 0.0085 208 HIS 43 HA 0.0027 -0.0216 0.0069 209 HIS 43 HB2 0.0016 -0.0114 0.0146 210 HIS 43 HB3 0.0030 -0.0177 0.0135 211 HIS 43 HD1 0.0063 -0.0266 0.0184 212 HIS 43 HD2 0.0033 -0.0116 0.0228 213 HIS 43 HE1 0.0085 -0.0285 0.0272 214 HIS 43 HE2 0.0067 -0.0197 0.0293 215 ARG 44 N -0.0002 -0.0154 -0.0003 216 ARG 44 CA -0.0011 -0.0132 -0.0036 217 ARG 44 C -0.0014 -0.0166 -0.0044 218 ARG 44 O -0.0015 -0.0211 -0.0040 219 ARG 44 CB -0.0024 -0.0129 -0.0085 220 ARG 44 CG -0.0024 -0.0109 -0.0086 221 ARG 44 CD -0.0038 -0.0112 -0.0136 222 ARG 44 NE -0.0039 -0.0096 -0.0141 223 ARG 44 CZ -0.0050 -0.0091 -0.0182 224 ARG 44 NH1 -0.0062 -0.0102 -0.0223 225 ARG 44 NH2 -0.0050 -0.0075 -0.0183 226 ARG 44 H -0.0005 -0.0188 -0.0008 227 ARG 44 HA -0.0007 -0.0096 -0.0026 228 ARG 44 HB2 -0.0030 -0.0165 -0.0100 229 ARG 44 HB3 -0.0030 -0.0106 -0.0107 230 ARG 44 HG2 -0.0020 -0.0070 -0.0076 231 ARG 44 HG3 -0.0018 -0.0130 -0.0062 232 ARG 44 HD2 -0.0043 -0.0150 -0.0148 233 ARG 44 HD3 -0.0044 -0.0089 -0.0159 234 ARG 44 HE -0.0030 -0.0089 -0.0111 235 ARG 44 HH11 -0.0063 -0.0114 -0.0223 236 ARG 44 HH12 -0.0071 -0.0098 -0.0254 237 ARG 44 HH21 -0.0041 -0.0066 -0.0154 238 ARG 44 HH22 -0.0059 -0.0071 -0.0214 239 CYS 45 N -0.0004 -0.0128 -0.0058 240 CYS 45 CA -0.0003 -0.0138 -0.0075 241 CYS 45 C -0.0004 -0.0132 -0.0107 242 CYS 45 O -0.0008 -0.0106 -0.0115 243 CYS 45 CB -0.0005 -0.0120 -0.0067 244 CYS 45 SG -0.0005 -0.0128 -0.0092 245 CYS 45 H -0.0007 -0.0108 -0.0053 246 CYS 45 HA -0.0000 -0.0161 -0.0071 247 CYS 45 HB2 -0.0004 -0.0128 -0.0044 248 CYS 45 HB3 -0.0008 -0.0097 -0.0065 249 LEU 46 N 0.0001 -0.0155 -0.0121 250 LEU 46 CA 0.0013 -0.0155 -0.0161 251 LEU 46 C 0.0029 -0.0126 -0.0167 252 LEU 46 O 0.0045 -0.0109 -0.0193 253 LEU 46 CB 0.0001 -0.0191 -0.0177 254 LEU 46 CG -0.0014 -0.0221 -0.0175 255 LEU 46 CD1 -0.0026 -0.0256 -0.0189 256 LEU 46 CD2 -0.0005 -0.0216 -0.0197 257 LEU 46 H -0.0012 -0.0175 -0.0109 258 LEU 46 HA 0.0020 -0.0149 -0.0175 259 LEU 46 HB2 -0.0006 -0.0197 -0.0163 260 LEU 46 HB3 0.0010 -0.0190 -0.0206 261 LEU 46 HG -0.0023 -0.0221 -0.0146 262 LEU 46 HD11 -0.0034 -0.0261 -0.0172 263 LEU 46 HD12 -0.0037 -0.0277 -0.0189 264 LEU 46 HD13 -0.0017 -0.0256 -0.0218 265 LEU 46 HD21 0.0003 -0.0193 -0.0184 266 LEU 46 HD22 0.0005 -0.0214 -0.0225 267 LEU 46 HD23 -0.0016 -0.0239 -0.0195 268 ALA 47 N 0.0035 -0.0134 -0.0103 269 ALA 47 CA 0.0043 -0.0122 -0.0100 270 ALA 47 C 0.0057 -0.0102 -0.0097 271 ALA 47 O 0.0066 -0.0089 -0.0099 272 ALA 47 CB 0.0037 -0.0126 -0.0080 273 ALA 47 H 0.0027 -0.0143 -0.0092 274 ALA 47 HA 0.0044 -0.0124 -0.0114 275 ALA 47 HB1 0.0043 -0.0117 -0.0078 276 ALA 47 HB2 0.0036 -0.0124 -0.0065 277 ALA 47 HB3 0.0027 -0.0140 -0.0082 278 CYS 48 N 0.0001 -0.0084 -0.0134 279 CYS 48 CA -0.0006 -0.0054 -0.0126 280 CYS 48 C -0.0010 -0.0040 -0.0124 281 CYS 48 O -0.0017 -0.0013 -0.0122 282 CYS 48 CB -0.0005 -0.0048 -0.0097 283 CYS 48 SG -0.0003 -0.0058 -0.0102 284 CYS 48 H 0.0006 -0.0098 -0.0120 285 CYS 48 HA -0.0011 -0.0044 -0.0144 286 CYS 48 HB2 0.0000 -0.0060 -0.0078 287 CYS 48 HB3 -0.0010 -0.0025 -0.0093 288 ALA 49 N -0.0029 -0.0034 -0.0160 289 ALA 49 CA -0.0031 -0.0020 -0.0160 290 ALA 49 C -0.0032 0.0004 -0.0126 291 ALA 49 O -0.0036 0.0026 -0.0125 292 ALA 49 CB -0.0039 0.0001 -0.0195 293 ALA 49 H -0.0024 -0.0060 -0.0161 294 ALA 49 HA -0.0027 -0.0044 -0.0160 295 ALA 49 HB1 -0.0044 0.0025 -0.0196 296 ALA 49 HB2 -0.0039 -0.0016 -0.0219 297 ALA 49 HB3 -0.0041 0.0010 -0.0196 298 ARG 50 N -0.0042 -0.0015 -0.0093 299 ARG 50 CA -0.0041 0.0003 -0.0064 300 ARG 50 C -0.0030 -0.0013 -0.0039 301 ARG 50 O -0.0022 -0.0041 -0.0038 302 ARG 50 CB -0.0041 0.0010 -0.0055 303 ARG 50 CG -0.0052 0.0029 -0.0078 304 ARG 50 CD -0.0051 0.0036 -0.0068 305 ARG 50 NE -0.0062 0.0053 -0.0090 306 ARG 50 CZ -0.0063 0.0060 -0.0088 307 ARG 50 NH1 -0.0055 0.0051 -0.0064 308 ARG 50 NH2 -0.0072 0.0075 -0.0109 309 ARG 50 H -0.0038 -0.0033 -0.0096 310 ARG 50 HA -0.0047 0.0024 -0.0066 311 ARG 50 HB2 -0.0034 -0.0011 -0.0054 312 ARG 50 HB3 -0.0039 0.0023 -0.0033 313 ARG 50 HG2 -0.0058 0.0051 -0.0080 314 ARG 50 HG3 -0.0053 0.0017 -0.0101 315 ARG 50 HD2 -0.0044 0.0014 -0.0066 316 ARG 50 HD3 -0.0050 0.0048 -0.0046 317 ARG 50 HE -0.0068 0.0060 -0.0107 318 ARG 50 HH11 -0.0048 0.0040 -0.0047 319 ARG 50 HH12 -0.0056 0.0056 -0.0062 320 ARG 50 HH21 -0.0079 0.0082 -0.0128 321 ARG 50 HH22 -0.0074 0.0080 -0.0109 322 TYR 51 N -0.0034 0.0043 -0.0030 323 TYR 51 CA -0.0023 0.0029 0.0003 324 TYR 51 C -0.0005 0.0038 0.0056 325 TYR 51 O -0.0002 0.0080 0.0069 326 TYR 51 CB -0.0027 0.0064 -0.0008 327 TYR 51 CG -0.0045 0.0062 -0.0062 328 TYR 51 CD1 -0.0058 0.0096 -0.0098 329 TYR 51 CD2 -0.0050 0.0026 -0.0078 330 TYR 51 CE1 -0.0074 0.0094 -0.0147 331 TYR 51 CE2 -0.0066 0.0024 -0.0127 332 TYR 51 CZ -0.0078 0.0058 -0.0161 333 TYR 51 OH -0.0095 0.0056 -0.0211 334 TYR 51 H -0.0036 0.0082 -0.0032 335 TYR 51 HA -0.0024 -0.0012 -0.0004 336 TYR 51 HB2 -0.0025 0.0105 0.0000 337 TYR 51 HB3 -0.0019 0.0053 0.0016 338 TYR 51 HD1 -0.0055 0.0125 -0.0087 339 TYR 51 HD2 -0.0040 -0.0001 -0.0051 340 TYR 51 HE1 -0.0084 0.0121 -0.0174 341 TYR 51 HE2 -0.0069 -0.0005 -0.0138 342 TYR 51 HH -0.0099 0.0093 -0.0221 343 PHE 52 N -0.0033 -0.0006 0.0089 344 PHE 52 CA -0.0026 -0.0004 0.0122 345 PHE 52 C -0.0013 -0.0007 0.0164 346 PHE 52 O -0.0001 -0.0028 0.0166 347 PHE 52 CB -0.0011 -0.0036 0.0112 348 PHE 52 CG -0.0022 -0.0034 0.0071 349 PHE 52 CD1 -0.0024 -0.0051 0.0033 350 PHE 52 CD2 -0.0032 -0.0017 0.0070 351 PHE 52 CE1 -0.0034 -0.0050 -0.0005 352 PHE 52 CE2 -0.0042 -0.0017 0.0032 353 PHE 52 CZ -0.0044 -0.0033 -0.0006 354 PHE 52 H -0.0022 -0.0031 0.0082 355 PHE 52 HA -0.0040 0.0024 0.0123 356 PHE 52 HB2 0.0004 -0.0063 0.0112 357 PHE 52 HB3 -0.0005 -0.0033 0.0138 358 PHE 52 HD1 -0.0016 -0.0064 0.0033 359 PHE 52 HD2 -0.0031 -0.0005 0.0099 360 PHE 52 HE1 -0.0035 -0.0062 -0.0034 361 PHE 52 HE2 -0.0050 -0.0003 0.0032 362 PHE 52 HZ -0.0052 -0.0032 -0.0035 363 ILE 53 N -0.0021 0.0057 0.0202 364 ILE 53 CA -0.0019 0.0045 0.0258 365 ILE 53 C -0.0001 -0.0016 0.0283 366 ILE 53 O 0.0007 -0.0042 0.0312 367 ILE 53 CB -0.0037 0.0090 0.0306 368 ILE 53 CG1 -0.0038 0.0092 0.0319 369 ILE 53 CG2 -0.0056 0.0149 0.0288 370 ILE 53 CD1 -0.0055 0.0133 0.0368 371 ILE 53 H -0.0031 0.0089 0.0203 372 ILE 53 HA -0.0020 0.0048 0.0247 373 ILE 53 HB -0.0035 0.0075 0.0347 374 ILE 53 HG12 -0.0040 0.0104 0.0278 375 ILE 53 HG13 -0.0025 0.0049 0.0333 376 ILE 53 HG21 -0.0058 0.0162 0.0245 377 ILE 53 HG22 -0.0055 0.0146 0.0283 378 ILE 53 HG23 -0.0068 0.0180 0.0322 379 ILE 53 HD11 -0.0053 0.0120 0.0410 380 ILE 53 HD12 -0.0055 0.0133 0.0373 381 ILE 53 HD13 -0.0069 0.0176 0.0355 382 ASP 54 N -0.0024 -0.0055 0.0277 383 ASP 54 CA -0.0006 -0.0107 0.0301 384 ASP 54 C 0.0009 -0.0132 0.0258 385 ASP 54 O 0.0002 -0.0103 0.0222 386 ASP 54 CB -0.0016 -0.0098 0.0359 387 ASP 54 CG 0.0000 -0.0149 0.0389 388 ASP 54 OD1 0.0008 -0.0176 0.0420 389 ASP 54 OD2 0.0007 -0.0164 0.0383 390 ASP 54 H -0.0029 -0.0034 0.0250 391 ASP 54 HA 0.0003 -0.0133 0.0309 392 ASP 54 HB2 -0.0028 -0.0077 0.0388 393 ASP 54 HB3 -0.0026 -0.0072 0.0351 394 SER 55 N 0.0015 -0.0185 0.0260 395 SER 55 CA 0.0040 -0.0207 0.0216 396 SER 55 C 0.0029 -0.0190 0.0205 397 SER 55 O 0.0035 -0.0186 0.0158 398 SER 55 CB 0.0076 -0.0259 0.0233 399 SER 55 OG 0.0101 -0.0283 0.0193 400 SER 55 H 0.0022 -0.0203 0.0294 401 SER 55 HA 0.0041 -0.0200 0.0178 402 SER 55 HB2 0.0083 -0.0270 0.0235 403 SER 55 HB3 0.0075 -0.0267 0.0273 404 SER 55 HG 0.0102 -0.0286 0.0202 405 THR 56 N 0.0020 -0.0162 0.0232 406 THR 56 CA 0.0005 -0.0146 0.0210 407 THR 56 C -0.0031 -0.0112 0.0173 408 THR 56 O -0.0030 -0.0102 0.0129 409 THR 56 CB -0.0015 -0.0142 0.0255 410 THR 56 OG1 0.0016 -0.0173 0.0294 411 THR 56 CG2 -0.0026 -0.0129 0.0234 412 THR 56 H 0.0014 -0.0167 0.0271 413 THR 56 HA 0.0033 -0.0161 0.0187 414 THR 56 HB -0.0046 -0.0124 0.0274 415 THR 56 HG1 0.0012 -0.0176 0.0317 416 THR 56 HG21 -0.0040 -0.0127 0.0267 417 THR 56 HG22 0.0004 -0.0147 0.0214 418 THR 56 HG23 -0.0050 -0.0106 0.0205 419 ASN 57 N -0.0013 -0.0111 0.0203 420 ASN 57 CA -0.0040 -0.0071 0.0171 421 ASN 57 C -0.0040 -0.0084 0.0111 422 ASN 57 O -0.0053 -0.0069 0.0075 423 ASN 57 CB -0.0063 -0.0028 0.0190 424 ASN 57 CG -0.0074 0.0001 0.0238 425 ASN 57 OD1 -0.0095 0.0034 0.0231 426 ASN 57 ND2 -0.0061 -0.0011 0.0288 427 ASN 57 H -0.0012 -0.0108 0.0227 428 ASN 57 HA -0.0045 -0.0061 0.0176 429 ASN 57 HB2 -0.0053 -0.0042 0.0203 430 ASN 57 HB3 -0.0080 -0.0006 0.0157 431 ASN 57 HD21 -0.0045 -0.0037 0.0293 432 ASN 57 HD22 -0.0069 0.0008 0.0319 433 LEU 58 N -0.0019 -0.0113 0.0113 434 LEU 58 CA -0.0010 -0.0123 0.0074 435 LEU 58 C 0.0004 -0.0141 0.0053 436 LEU 58 O -0.0001 -0.0133 0.0018 437 LEU 58 CB 0.0005 -0.0144 0.0078 438 LEU 58 CG 0.0019 -0.0161 0.0042 439 LEU 58 CD1 0.0042 -0.0193 0.0035 440 LEU 58 CD2 0.0005 -0.0139 0.0005 441 LEU 58 H -0.0013 -0.0124 0.0136 442 LEU 58 HA -0.0025 -0.0101 0.0057 443 LEU 58 HB2 -0.0007 -0.0128 0.0088 444 LEU 58 HB3 0.0016 -0.0162 0.0102 445 LEU 58 HG 0.0024 -0.0169 0.0046 446 LEU 58 HD11 0.0051 -0.0204 0.0009 447 LEU 58 HD12 0.0038 -0.0188 0.0031 448 LEU 58 HD13 0.0052 -0.0209 0.0061 449 LEU 58 HD21 0.0001 -0.0133 -0.0002 450 LEU 58 HD22 0.0015 -0.0152 -0.0020 451 LEU 58 HD23 -0.0011 -0.0117 0.0009 452 LYS 59 N 0.0003 -0.0152 0.0053 453 LYS 59 CA 0.0022 -0.0137 0.0021 454 LYS 59 C -0.0007 -0.0121 -0.0009 455 LYS 59 O 0.0004 -0.0106 -0.0039 456 LYS 59 CB 0.0043 -0.0142 0.0029 457 LYS 59 CG 0.0017 -0.0147 0.0041 458 LYS 59 CD 0.0041 -0.0153 0.0050 459 LYS 59 CE 0.0062 -0.0138 0.0019 460 LYS 59 NZ 0.0035 -0.0124 -0.0007 461 LYS 59 H 0.0001 -0.0164 0.0076 462 LYS 59 HA 0.0043 -0.0134 0.0013 463 LYS 59 HB2 0.0058 -0.0131 0.0005 464 LYS 59 HB3 0.0064 -0.0153 0.0049 465 LYS 59 HG2 0.0000 -0.0158 0.0064 466 LYS 59 HG3 -0.0003 -0.0136 0.0021 467 LYS 59 HD2 0.0062 -0.0164 0.0069 468 LYS 59 HD3 0.0022 -0.0158 0.0062 469 LYS 59 HE2 0.0081 -0.0133 0.0007 470 LYS 59 HE3 0.0080 -0.0144 0.0028 471 LYS 59 HZ1 0.0018 -0.0128 0.0003 472 LYS 59 HZ2 0.0051 -0.0114 -0.0028 473 LYS 59 HZ3 0.0017 -0.0118 -0.0017 474 THR 60 N -0.0011 -0.0114 0.0014 475 THR 60 CA -0.0036 -0.0102 -0.0008 476 THR 60 C -0.0053 -0.0093 -0.0033 477 THR 60 O -0.0063 -0.0086 -0.0064 478 THR 60 CB -0.0064 -0.0096 0.0016 479 THR 60 OG1 -0.0047 -0.0105 0.0038 480 THR 60 CG2 -0.0091 -0.0084 -0.0007 481 THR 60 H -0.0015 -0.0116 0.0041 482 THR 60 HA -0.0022 -0.0105 -0.0025 483 THR 60 HB -0.0076 -0.0094 0.0032 484 THR 60 HG1 -0.0035 -0.0111 0.0057 485 THR 60 HG21 -0.0110 -0.0080 0.0011 486 THR 60 HG22 -0.0078 -0.0086 -0.0024 487 THR 60 HG23 -0.0104 -0.0077 -0.0024 488 HIS 61 N -0.0036 -0.0099 -0.0013 489 HIS 61 CA -0.0036 -0.0092 -0.0026 490 HIS 61 C -0.0023 -0.0092 -0.0043 491 HIS 61 O -0.0025 -0.0083 -0.0056 492 HIS 61 CB -0.0034 -0.0096 -0.0020 493 HIS 61 CG -0.0029 -0.0093 -0.0034 494 HIS 61 ND1 -0.0037 -0.0081 -0.0044 495 HIS 61 CD2 -0.0015 -0.0100 -0.0040 496 HIS 61 CE1 -0.0029 -0.0081 -0.0055 497 HIS 61 NE2 -0.0015 -0.0092 -0.0054 498 HIS 61 H -0.0033 -0.0107 -0.0003 499 HIS 61 HA -0.0047 -0.0082 -0.0028 500 HIS 61 HB2 -0.0045 -0.0092 -0.0012 501 HIS 61 HB3 -0.0026 -0.0107 -0.0012 502 HIS 61 HD1 -0.0048 -0.0073 -0.0042 503 HIS 61 HD2 -0.0005 -0.0110 -0.0036 504 HIS 61 HE1 -0.0031 -0.0073 -0.0066 505 PHE 62 N -0.0020 -0.0108 -0.0065 506 PHE 62 CA -0.0007 -0.0104 -0.0078 507 PHE 62 C -0.0012 -0.0094 -0.0087 508 PHE 62 O -0.0003 -0.0091 -0.0098 509 PHE 62 CB 0.0009 -0.0116 -0.0076 510 PHE 62 CG 0.0014 -0.0127 -0.0067 511 PHE 62 CD1 0.0016 -0.0126 -0.0070 512 PHE 62 CD2 0.0017 -0.0139 -0.0055 513 PHE 62 CE1 0.0021 -0.0136 -0.0061 514 PHE 62 CE2 0.0022 -0.0149 -0.0046 515 PHE 62 CZ 0.0024 -0.0148 -0.0049 516 PHE 62 H -0.0021 -0.0116 -0.0056 517 PHE 62 HA -0.0005 -0.0100 -0.0085 518 PHE 62 HB2 0.0008 -0.0119 -0.0072 519 PHE 62 HB3 0.0018 -0.0112 -0.0087 520 PHE 62 HD1 0.0014 -0.0117 -0.0079 521 PHE 62 HD2 0.0016 -0.0140 -0.0053 522 PHE 62 HE1 0.0023 -0.0135 -0.0063 523 PHE 62 HE2 0.0025 -0.0159 -0.0037 524 PHE 62 HZ 0.0028 -0.0157 -0.0041 525 ARG 63 N -0.0021 -0.0096 -0.0092 526 ARG 63 CA -0.0025 -0.0089 -0.0118 527 ARG 63 C -0.0035 -0.0091 -0.0129 528 ARG 63 O -0.0041 -0.0087 -0.0151 529 ARG 63 CB -0.0038 -0.0094 -0.0126 530 ARG 63 CG -0.0026 -0.0089 -0.0120 531 ARG 63 CD -0.0040 -0.0094 -0.0129 532 ARG 63 NE -0.0047 -0.0089 -0.0155 533 ARG 63 CZ -0.0057 -0.0090 -0.0168 534 ARG 63 NH1 -0.0059 -0.0094 -0.0157 535 ARG 63 NH2 -0.0063 -0.0086 -0.0191 536 ARG 63 H -0.0030 -0.0104 -0.0082 537 ARG 63 HA -0.0008 -0.0079 -0.0123 538 ARG 63 HB2 -0.0054 -0.0104 -0.0119 539 ARG 63 HB3 -0.0042 -0.0089 -0.0146 540 ARG 63 HG2 -0.0011 -0.0079 -0.0128 541 ARG 63 HG3 -0.0022 -0.0093 -0.0101 542 ARG 63 HD2 -0.0031 -0.0090 -0.0124 543 ARG 63 HD3 -0.0055 -0.0104 -0.0120 544 ARG 63 HE -0.0045 -0.0085 -0.0163 545 ARG 63 HH11 -0.0054 -0.0097 -0.0140 546 ARG 63 HH12 -0.0067 -0.0095 -0.0167 547 ARG 63 HH21 -0.0061 -0.0082 -0.0199 548 ARG 63 HH22 -0.0071 -0.0086 -0.0201 549 SER 64 N -0.0022 -0.0103 -0.0103 550 SER 64 CA -0.0022 -0.0106 -0.0100 551 SER 64 C -0.0011 -0.0091 -0.0095 552 SER 64 O -0.0003 -0.0088 -0.0081 553 SER 64 CB -0.0023 -0.0120 -0.0085 554 SER 64 OG -0.0032 -0.0133 -0.0087 555 SER 64 H -0.0020 -0.0107 -0.0094 556 SER 64 HA -0.0029 -0.0108 -0.0111 557 SER 64 HB2 -0.0016 -0.0117 -0.0074 558 SER 64 HB3 -0.0025 -0.0124 -0.0084 559 SER 64 HG -0.0039 -0.0138 -0.0096 560 LYS 65 N -0.0015 -0.0078 -0.0098 561 LYS 65 CA -0.0004 -0.0056 -0.0091 562 LYS 65 C 0.0005 -0.0059 -0.0068 563 LYS 65 O 0.0015 -0.0044 -0.0055 564 LYS 65 CB -0.0008 -0.0041 -0.0109 565 LYS 65 CG -0.0016 -0.0053 -0.0119 566 LYS 65 CD -0.0011 -0.0061 -0.0103 567 LYS 65 CE -0.0020 -0.0073 -0.0114 568 LYS 65 NZ -0.0016 -0.0082 -0.0098 569 LYS 65 H -0.0023 -0.0083 -0.0112 570 LYS 65 HA -0.0000 -0.0046 -0.0088 571 LYS 65 HB2 0.0001 -0.0026 -0.0101 572 LYS 65 HB3 -0.0011 -0.0034 -0.0122 573 LYS 65 HG2 -0.0018 -0.0041 -0.0133 574 LYS 65 HG3 -0.0024 -0.0068 -0.0127 575 LYS 65 HD2 -0.0009 -0.0073 -0.0089 576 LYS 65 HD3 -0.0003 -0.0046 -0.0096 577 LYS 65 HE2 -0.0022 -0.0060 -0.0127 578 LYS 65 HE3 -0.0028 -0.0087 -0.0122 579 LYS 65 HZ1 -0.0008 -0.0069 -0.0090 580 LYS 65 HZ2 -0.0015 -0.0095 -0.0086 581 LYS 65 HZ3 -0.0022 -0.0090 -0.0106 582 ASP 66 N 0.0003 -0.0085 -0.0073 583 ASP 66 CA 0.0017 -0.0091 -0.0047 584 ASP 66 C 0.0025 -0.0097 -0.0031 585 ASP 66 O 0.0037 -0.0091 -0.0008 586 ASP 66 CB 0.0018 -0.0115 -0.0045 587 ASP 66 CG 0.0031 -0.0119 -0.0019 588 ASP 66 OD1 0.0034 -0.0106 -0.0014 589 ASP 66 OD2 0.0039 -0.0135 -0.0004 590 ASP 66 H -0.0003 -0.0100 -0.0086 591 ASP 66 HA 0.0021 -0.0072 -0.0040 592 ASP 66 HB2 0.0011 -0.0112 -0.0059 593 ASP 66 HB3 0.0015 -0.0135 -0.0050 594 HIS 67 N 0.0019 -0.0103 -0.0044 595 HIS 67 CA 0.0021 -0.0106 -0.0040 596 HIS 67 C 0.0019 -0.0091 -0.0036 597 HIS 67 O 0.0023 -0.0090 -0.0025 598 HIS 67 CB 0.0018 -0.0113 -0.0054 599 HIS 67 CG 0.0020 -0.0117 -0.0052 600 HIS 67 ND1 0.0026 -0.0122 -0.0039 601 HIS 67 CD2 0.0017 -0.0121 -0.0062 602 HIS 67 CE1 0.0027 -0.0129 -0.0042 603 HIS 67 NE2 0.0021 -0.0129 -0.0056 604 HIS 67 H 0.0016 -0.0106 -0.0053 605 HIS 67 HA 0.0026 -0.0113 -0.0032 606 HIS 67 HB2 0.0019 -0.0124 -0.0057 607 HIS 67 HB3 0.0013 -0.0106 -0.0062 608 HIS 67 HD1 0.0029 -0.0120 -0.0030 609 HIS 67 HD2 0.0012 -0.0116 -0.0072 610 HIS 67 HE1 0.0031 -0.0135 -0.0035 611 LYS 68 N 0.0029 -0.0067 -0.0039 612 LYS 68 CA 0.0031 -0.0052 -0.0036 613 LYS 68 C 0.0035 -0.0042 -0.0026 614 LYS 68 O 0.0039 -0.0033 -0.0017 615 LYS 68 CB 0.0026 -0.0043 -0.0050 616 LYS 68 CG 0.0021 -0.0054 -0.0061 617 LYS 68 CD 0.0015 -0.0045 -0.0076 618 LYS 68 CE 0.0013 -0.0042 -0.0084 619 LYS 68 NZ 0.0007 -0.0034 -0.0098 620 LYS 68 H 0.0025 -0.0069 -0.0049 621 LYS 68 HA 0.0033 -0.0054 -0.0030 622 LYS 68 HB2 0.0024 -0.0040 -0.0055 623 LYS 68 HB3 0.0027 -0.0033 -0.0049 624 LYS 68 HG2 0.0023 -0.0059 -0.0056 625 LYS 68 HG3 0.0020 -0.0065 -0.0063 626 LYS 68 HD2 0.0017 -0.0034 -0.0074 627 LYS 68 HD3 0.0012 -0.0052 -0.0083 628 LYS 68 HE2 0.0012 -0.0053 -0.0085 629 LYS 68 HE3 0.0016 -0.0034 -0.0077 630 LYS 68 HZ1 0.0008 -0.0023 -0.0097 631 LYS 68 HZ2 0.0005 -0.0032 -0.0103 632 LYS 68 HZ3 0.0004 -0.0042 -0.0105 633 LYS 69 N 0.0031 -0.0033 -0.0024 634 LYS 69 CA 0.0041 -0.0019 -0.0002 635 LYS 69 C 0.0058 -0.0031 0.0027 636 LYS 69 O 0.0068 -0.0013 0.0048 637 LYS 69 CB 0.0038 -0.0029 -0.0009 638 LYS 69 CG 0.0050 -0.0025 0.0014 639 LYS 69 CD 0.0045 -0.0040 0.0003 640 LYS 69 CE 0.0057 -0.0041 0.0023 641 LYS 69 NZ 0.0051 -0.0058 0.0009 642 LYS 69 H 0.0023 -0.0045 -0.0039 643 LYS 69 HA 0.0039 0.0007 -0.0001 644 LYS 69 HB2 0.0028 -0.0015 -0.0026 645 LYS 69 HB3 0.0036 -0.0053 -0.0016 646 LYS 69 HG2 0.0061 -0.0038 0.0031 647 LYS 69 HG3 0.0052 -0.0000 0.0020 648 LYS 69 HD2 0.0035 -0.0027 -0.0015 649 LYS 69 HD3 0.0043 -0.0064 -0.0005 650 LYS 69 HE2 0.0068 -0.0054 0.0041 651 LYS 69 HE3 0.0058 -0.0017 0.0029 652 LYS 69 HZ1 0.0058 -0.0060 0.0023 653 LYS 69 HZ2 0.0049 -0.0081 0.0003 654 LYS 69 HZ3 0.0040 -0.0047 -0.0009 655 ARG 70 N 0.0054 -0.0052 0.0026 656 ARG 70 CA 0.0075 -0.0070 0.0055 657 ARG 70 C 0.0074 -0.0057 0.0060 658 ARG 70 O 0.0089 -0.0052 0.0089 659 ARG 70 CB 0.0084 -0.0114 0.0049 660 ARG 70 CG 0.0106 -0.0134 0.0080 661 ARG 70 CD 0.0121 -0.0120 0.0112 662 ARG 70 NE 0.0143 -0.0137 0.0143 663 ARG 70 CZ 0.0156 -0.0120 0.0176 664 ARG 70 NH1 0.0151 -0.0084 0.0183 665 ARG 70 NH2 0.0176 -0.0138 0.0202 666 ARG 70 H 0.0047 -0.0069 0.0004 667 ARG 70 HA 0.0085 -0.0059 0.0078 668 ARG 70 HB2 0.0082 -0.0122 0.0041 669 ARG 70 HB3 0.0074 -0.0124 0.0027 670 ARG 70 HG2 0.0111 -0.0165 0.0073 671 ARG 70 HG3 0.0107 -0.0127 0.0085 672 ARG 70 HD2 0.0116 -0.0089 0.0118 673 ARG 70 HD3 0.0120 -0.0127 0.0107 674 ARG 70 HE 0.0147 -0.0163 0.0138 675 ARG 70 HH11 0.0136 -0.0069 0.0164 676 ARG 70 HH12 0.0161 -0.0071 0.0208 677 ARG 70 HH21 0.0181 -0.0165 0.0198 678 ARG 70 HH22 0.0187 -0.0127 0.0228 679 LEU 71 N 0.0056 -0.0055 0.0025 680 LEU 71 CA 0.0053 -0.0047 0.0025 681 LEU 71 C 0.0053 -0.0018 0.0038 682 LEU 71 O 0.0058 -0.0012 0.0052 683 LEU 71 CB 0.0039 -0.0048 -0.0002 684 LEU 71 CG 0.0037 -0.0076 -0.0019 685 LEU 71 CD1 0.0022 -0.0074 -0.0045 686 LEU 71 CD2 0.0050 -0.0098 -0.0007 687 LEU 71 H 0.0048 -0.0057 0.0009 688 LEU 71 HA 0.0062 -0.0061 0.0034 689 LEU 71 HB2 0.0030 -0.0033 -0.0011 690 LEU 71 HB3 0.0037 -0.0041 -0.0001 691 LEU 71 HG 0.0037 -0.0081 -0.0021 692 LEU 71 HD11 0.0022 -0.0068 -0.0043 693 LEU 71 HD12 0.0013 -0.0058 -0.0053 694 LEU 71 HD13 0.0021 -0.0094 -0.0056 695 LEU 71 HD21 0.0061 -0.0101 0.0011 696 LEU 71 HD22 0.0051 -0.0093 -0.0004 697 LEU 71 HD23 0.0049 -0.0117 -0.0020 698 LYS 72 N 0.0062 0.0005 0.0051 699 LYS 72 CA 0.0066 0.0039 0.0063 700 LYS 72 C 0.0083 0.0039 0.0096 701 LYS 72 O 0.0092 0.0060 0.0114 702 LYS 72 CB 0.0055 0.0057 0.0044 703 LYS 72 CG 0.0058 0.0094 0.0053 704 LYS 72 CD 0.0046 0.0111 0.0033 705 LYS 72 CE 0.0048 0.0147 0.0042 706 LYS 72 NZ 0.0036 0.0164 0.0021 707 LYS 72 H 0.0054 -0.0003 0.0035 708 LYS 72 HA 0.0064 0.0052 0.0061 709 LYS 72 HB2 0.0043 0.0056 0.0021 710 LYS 72 HB3 0.0057 0.0044 0.0046 711 LYS 72 HG2 0.0069 0.0095 0.0076 712 LYS 72 HG3 0.0056 0.0107 0.0053 713 LYS 72 HD2 0.0034 0.0109 0.0010 714 LYS 72 HD3 0.0047 0.0098 0.0034 715 LYS 72 HE2 0.0059 0.0149 0.0064 716 LYS 72 HE3 0.0047 0.0160 0.0042 717 LYS 72 HZ1 0.0036 0.0153 0.0021 718 LYS 72 HZ2 0.0025 0.0164 -0.0000 719 LYS 72 HZ3 0.0038 0.0189 0.0028 720 GLN 73 N 0.0083 0.0024 0.0107 721 GLN 73 CA 0.0103 0.0021 0.0142 722 GLN 73 C 0.0114 0.0007 0.0158 723 GLN 73 O 0.0125 0.0020 0.0185 724 GLN 73 CB 0.0112 -0.0004 0.0147 725 GLN 73 CG 0.0102 0.0008 0.0134 726 GLN 73 CD 0.0111 -0.0018 0.0138 727 GLN 73 OE1 0.0120 -0.0051 0.0136 728 GLN 73 NE2 0.0110 -0.0005 0.0143 729 GLN 73 H 0.0079 0.0008 0.0090 730 GLN 73 HA 0.0101 0.0047 0.0155 731 GLN 73 HB2 0.0113 -0.0030 0.0133 732 GLN 73 HB3 0.0126 -0.0007 0.0173 733 GLN 73 HG2 0.0102 0.0034 0.0148 734 GLN 73 HG3 0.0088 0.0012 0.0108 735 GLN 73 HE21 0.0103 0.0021 0.0144 736 GLN 73 HE22 0.0116 -0.0021 0.0145 737 LEU 74 N 0.0104 -0.0015 0.0138 738 LEU 74 CA 0.0113 -0.0029 0.0148 739 LEU 74 C 0.0104 -0.0004 0.0146 740 LEU 74 O 0.0112 -0.0009 0.0160 741 LEU 74 CB 0.0115 -0.0062 0.0129 742 LEU 74 CG 0.0125 -0.0083 0.0139 743 LEU 74 CD1 0.0142 -0.0090 0.0174 744 LEU 74 CD2 0.0126 -0.0116 0.0118 745 LEU 74 H 0.0097 -0.0022 0.0117 746 LEU 74 HA 0.0125 -0.0032 0.0173 747 LEU 74 HB2 0.0119 -0.0077 0.0129 748 LEU 74 HB3 0.0103 -0.0056 0.0105 749 LEU 74 HG 0.0120 -0.0069 0.0137 750 LEU 74 HD11 0.0150 -0.0105 0.0180 751 LEU 74 HD12 0.0148 -0.0103 0.0177 752 LEU 74 HD13 0.0142 -0.0067 0.0190 753 LEU 74 HD21 0.0131 -0.0130 0.0119 754 LEU 74 HD22 0.0133 -0.0130 0.0125 755 LEU 74 HD23 0.0114 -0.0110 0.0093 756 SER 75 N 0.0096 0.0014 0.0124 757 SER 75 CA 0.0088 0.0038 0.0120 758 SER 75 C 0.0081 0.0022 0.0098 759 SER 75 O 0.0077 0.0034 0.0098 760 SER 75 CB 0.0099 0.0053 0.0151 761 SER 75 OG 0.0091 0.0077 0.0148 762 SER 75 H 0.0090 0.0016 0.0113 763 SER 75 HA 0.0077 0.0057 0.0109 764 SER 75 HB2 0.0104 0.0064 0.0165 765 SER 75 HB3 0.0110 0.0033 0.0162 766 SER 75 HG 0.0094 0.0096 0.0163 767 VAL 76 N 0.0059 0.0006 0.0060 768 VAL 76 CA 0.0052 -0.0011 0.0036 769 VAL 76 C 0.0033 0.0011 0.0014 770 VAL 76 O 0.0029 0.0017 0.0010 771 VAL 76 CB 0.0053 -0.0041 0.0019 772 VAL 76 CG1 0.0045 -0.0058 -0.0006 773 VAL 76 CG2 0.0071 -0.0064 0.0040 774 VAL 76 H 0.0062 -0.0001 0.0062 775 VAL 76 HA 0.0060 -0.0019 0.0046 776 VAL 76 HB 0.0045 -0.0032 0.0010 777 VAL 76 HG11 0.0046 -0.0078 -0.0018 778 VAL 76 HG12 0.0053 -0.0066 0.0003 779 VAL 76 HG13 0.0031 -0.0041 -0.0022 780 VAL 76 HG21 0.0072 -0.0084 0.0028 781 VAL 76 HG22 0.0076 -0.0052 0.0057 782 VAL 76 HG23 0.0080 -0.0072 0.0050 783 GLU 77 N 0.0055 -0.0003 0.0028 784 GLU 77 CA 0.0040 0.0016 0.0010 785 GLU 77 C 0.0035 0.0040 0.0010 786 GLU 77 O 0.0029 0.0037 -0.0001 787 GLU 77 CB 0.0028 0.0001 -0.0016 788 GLU 77 CG 0.0027 -0.0018 -0.0026 789 GLU 77 CD 0.0014 -0.0031 -0.0053 790 GLU 77 OE1 0.0016 -0.0051 -0.0057 791 GLU 77 OE2 0.0002 -0.0022 -0.0071 792 GLU 77 H 0.0056 -0.0007 0.0029 793 GLU 77 HA 0.0042 0.0026 0.0017 794 GLU 77 HB2 0.0017 0.0017 -0.0029 795 GLU 77 HB3 0.0031 -0.0011 -0.0016 796 GLU 77 HG2 0.0037 -0.0035 -0.0015 797 GLU 77 HG3 0.0024 -0.0006 -0.0026 798 PRO 78 N 0.0047 0.0077 0.0028 799 PRO 78 CA 0.0042 0.0096 0.0028 800 PRO 78 C 0.0031 0.0106 0.0004 801 PRO 78 O 0.0026 0.0113 -0.0005 802 PRO 78 CB 0.0046 0.0116 0.0046 803 PRO 78 CG 0.0054 0.0103 0.0061 804 PRO 78 CD 0.0052 0.0083 0.0045 805 PRO 78 HA 0.0045 0.0090 0.0032 806 PRO 78 HB2 0.0039 0.0131 0.0038 807 PRO 78 HB3 0.0048 0.0123 0.0056 808 PRO 78 HG2 0.0054 0.0116 0.0067 809 PRO 78 HG3 0.0062 0.0095 0.0075 810 PRO 78 HD2 0.0047 0.0090 0.0036 811 PRO 78 HD3 0.0059 0.0068 0.0054 812 TYR 79 N 0.0045 0.0095 0.0001 813 TYR 79 CA 0.0023 0.0101 -0.0021 814 TYR 79 C 0.0013 0.0074 -0.0035 815 TYR 79 O 0.0011 0.0064 -0.0039 816 TYR 79 CB 0.0016 0.0124 -0.0025 817 TYR 79 CG 0.0023 0.0153 -0.0013 818 TYR 79 CD1 0.0042 0.0160 0.0007 819 TYR 79 CD2 0.0011 0.0173 -0.0023 820 TYR 79 CE1 0.0048 0.0186 0.0017 821 TYR 79 CE2 0.0018 0.0199 -0.0013 822 TYR 79 CZ 0.0036 0.0206 0.0007 823 TYR 79 OH 0.0043 0.0232 0.0018 824 TYR 79 H 0.0051 0.0098 0.0007 825 TYR 79 HA 0.0018 0.0109 -0.0025 826 TYR 79 HB2 0.0022 0.0117 -0.0019 827 TYR 79 HB3 0.0000 0.0127 -0.0041 828 TYR 79 HD1 0.0051 0.0145 0.0014 829 TYR 79 HD2 -0.0003 0.0168 -0.0038 830 TYR 79 HE1 0.0063 0.0191 0.0033 831 TYR 79 HE2 0.0008 0.0214 -0.0020 832 TYR 79 HH 0.0040 0.0235 0.0016 833 SER 80 N 0.0031 0.0045 -0.0045 834 SER 80 CA 0.0026 0.0022 -0.0056 835 SER 80 C 0.0008 0.0025 -0.0078 836 SER 80 O 0.0000 0.0046 -0.0083 837 SER 80 CB 0.0035 0.0004 -0.0048 838 SER 80 OG 0.0031 -0.0020 -0.0058 839 SER 80 H 0.0033 0.0051 -0.0042 840 SER 80 HA 0.0028 0.0014 -0.0055 841 SER 80 HB2 0.0047 0.0003 -0.0033 842 SER 80 HB3 0.0032 0.0012 -0.0050 843 SER 80 HG 0.0037 -0.0027 -0.0051 844 GLN 81 N 0.0032 -0.0037 -0.0085 845 GLN 81 CA 0.0011 -0.0036 -0.0090 846 GLN 81 C 0.0006 -0.0016 -0.0085 847 GLN 81 O 0.0020 -0.0007 -0.0079 848 GLN 81 CB 0.0007 -0.0053 -0.0096 849 GLN 81 CG -0.0015 -0.0055 -0.0102 850 GLN 81 CD -0.0019 -0.0071 -0.0107 851 GLN 81 OE1 -0.0007 -0.0076 -0.0106 852 GLN 81 NE2 -0.0037 -0.0079 -0.0114 853 GLN 81 H 0.0043 -0.0046 -0.0085 854 GLN 81 HA 0.0001 -0.0036 -0.0092 855 GLN 81 HB2 0.0013 -0.0067 -0.0099 856 GLN 81 HB3 0.0016 -0.0052 -0.0093 857 GLN 81 HG2 -0.0021 -0.0040 -0.0099 858 GLN 81 HG3 -0.0023 -0.0058 -0.0104 859 GLN 81 HE21 -0.0046 -0.0074 -0.0115 860 GLN 81 HE22 -0.0040 -0.0090 -0.0118 861 GLU 82 N -0.0060 0.0042 -0.0110 862 GLU 82 CA -0.0075 0.0077 -0.0114 863 GLU 82 C -0.0066 0.0131 -0.0089 864 GLU 82 O -0.0077 0.0167 -0.0089 865 GLU 82 CB -0.0061 0.0053 -0.0107 866 GLU 82 CG -0.0076 0.0085 -0.0112 867 GLU 82 CD -0.0062 0.0058 -0.0107 868 GLU 82 OE1 -0.0028 0.0056 -0.0076 869 GLU 82 OE2 -0.0086 0.0037 -0.0135 870 GLU 82 H -0.0080 0.0037 -0.0129 871 GLU 82 HA -0.0107 0.0082 -0.0142 872 GLU 82 HB2 -0.0070 0.0017 -0.0127 873 GLU 82 HB3 -0.0029 0.0046 -0.0080 874 GLU 82 HG2 -0.0065 0.0121 -0.0092 875 GLU 82 HG3 -0.0108 0.0093 -0.0139 876 GLU 83 N -0.0049 0.0121 -0.0086 877 GLU 83 CA -0.0044 0.0149 -0.0072 878 GLU 83 C -0.0054 0.0155 -0.0078 879 GLU 83 O -0.0070 0.0177 -0.0083 880 GLU 83 CB -0.0017 0.0148 -0.0049 881 GLU 83 CG -0.0010 0.0176 -0.0033 882 GLU 83 CD 0.0017 0.0175 -0.0011 883 GLU 83 OE1 0.0032 0.0160 -0.0003 884 GLU 83 OE2 0.0022 0.0190 -0.0001 885 GLU 83 H -0.0045 0.0103 -0.0088 886 GLU 83 HA -0.0054 0.0167 -0.0074 887 GLU 83 HB2 -0.0012 0.0145 -0.0046 888 GLU 83 HB3 -0.0007 0.0129 -0.0047 889 GLU 83 HG2 -0.0013 0.0178 -0.0035 890 GLU 83 HG3 -0.0021 0.0195 -0.0035 891 ALA 84 N -0.0045 0.0118 -0.0072 892 ALA 84 CA -0.0054 0.0110 -0.0078 893 ALA 84 C -0.0087 0.0078 -0.0100 894 ALA 84 O -0.0092 0.0057 -0.0108 895 ALA 84 CB -0.0017 0.0093 -0.0064 896 ALA 84 H -0.0026 0.0096 -0.0067 897 ALA 84 HA -0.0067 0.0141 -0.0077 898 ALA 84 HB1 -0.0025 0.0087 -0.0069 899 ALA 84 HB2 -0.0004 0.0063 -0.0064 900 ALA 84 HB3 0.0004 0.0118 -0.0048 901 GLU 85 N -0.0088 0.0047 -0.0104 902 GLU 85 CA -0.0134 0.0016 -0.0111 903 GLU 85 C -0.0166 0.0049 -0.0116 904 GLU 85 O -0.0156 0.0046 -0.0115 905 GLU 85 CB -0.0119 -0.0040 -0.0108 906 GLU 85 CG -0.0163 -0.0080 -0.0115 907 GLU 85 CD -0.0206 -0.0071 -0.0121 908 GLU 85 OE1 -0.0199 -0.0090 -0.0120 909 GLU 85 OE2 -0.0246 -0.0045 -0.0128 910 GLU 85 H -0.0084 0.0078 -0.0103 911 GLU 85 HA -0.0155 0.0012 -0.0114 912 GLU 85 HB2 -0.0087 -0.0056 -0.0103 913 GLU 85 HB3 -0.0105 -0.0035 -0.0106 914 GLU 85 HG2 -0.0181 -0.0070 -0.0117 915 GLU 85 HG3 -0.0147 -0.0120 -0.0112 916 ARG 86 N -0.0245 0.0113 -0.0216 917 ARG 86 CA -0.0248 0.0135 -0.0197 918 ARG 86 C -0.0310 0.0132 -0.0241 919 ARG 86 O -0.0367 0.0138 -0.0273 920 ARG 86 CB -0.0244 0.0201 -0.0133 921 ARG 86 CG -0.0291 0.0249 -0.0120 922 ARG 86 CD -0.0371 0.0267 -0.0156 923 ARG 86 NE -0.0412 0.0308 -0.0145 924 ARG 86 CZ -0.0481 0.0322 -0.0178 925 ARG 86 NH1 -0.0520 0.0301 -0.0223 926 ARG 86 NH2 -0.0511 0.0357 -0.0165 927 ARG 86 H -0.0286 0.0131 -0.0226 928 ARG 86 HA -0.0201 0.0104 -0.0195 929 ARG 86 HB2 -0.0259 0.0221 -0.0125 930 ARG 86 HB3 -0.0189 0.0196 -0.0102 931 ARG 86 HG2 -0.0280 0.0292 -0.0074 932 ARG 86 HG3 -0.0277 0.0230 -0.0128 933 ARG 86 HD2 -0.0382 0.0225 -0.0203 934 ARG 86 HD3 -0.0385 0.0291 -0.0144 935 ARG 86 HE -0.0384 0.0325 -0.0111 936 ARG 86 HH11 -0.0500 0.0274 -0.0235 937 ARG 86 HH12 -0.0572 0.0311 -0.0247 938 ARG 86 HH21 -0.0483 0.0374 -0.0131 939 ARG 86 HH22 -0.0562 0.0369 -0.0188 940 ALA 87 N -0.0348 0.0173 -0.0186 941 ALA 87 CA -0.0407 0.0172 -0.0191 942 ALA 87 C -0.0428 0.0231 -0.0184 943 ALA 87 O -0.0463 0.0248 -0.0184 944 ALA 87 CB -0.0414 0.0150 -0.0194 945 ALA 87 H -0.0323 0.0186 -0.0182 946 ALA 87 HA -0.0428 0.0147 -0.0196 947 ALA 87 HB1 -0.0392 0.0175 -0.0189 948 ALA 87 HB2 -0.0398 0.0109 -0.0199 949 ALA 87 HB3 -0.0457 0.0151 -0.0198 950 ALA 88 N -0.0424 0.0259 -0.0207 951 ALA 88 CA -0.0429 0.0282 -0.0207 952 ALA 88 C -0.0431 0.0272 -0.0205 953 ALA 88 O -0.0412 0.0270 -0.0213 954 ALA 88 CB -0.0407 0.0303 -0.0217 955 ALA 88 H -0.0411 0.0245 -0.0211 956 ALA 88 HA -0.0447 0.0292 -0.0200 957 ALA 88 HB1 -0.0389 0.0293 -0.0225 958 ALA 88 HB2 -0.0406 0.0310 -0.0219 959 ALA 88 HB3 -0.0412 0.0320 -0.0217 960 GLY 89 N -0.0404 0.0218 -0.0167 961 GLY 89 CA -0.0398 0.0164 -0.0149 962 GLY 89 C -0.0236 0.0167 -0.0100 963 GLY 89 O -0.0143 0.0096 -0.0050 964 GLY 89 H -0.0317 0.0279 -0.0158 965 GLY 89 HA2 -0.0449 0.0047 -0.0132 966 GLY 89 HA3 -0.0460 0.0235 -0.0190 967 MET 90 N -0.0302 0.0180 -0.0099 968 MET 90 CA -0.0030 0.0221 -0.0069 969 MET 90 C -0.0081 -0.0092 0.0299 970 MET 90 O 0.0174 -0.0276 0.0600 971 MET 90 CB 0.0499 0.0385 -0.0113 972 MET 90 CG 0.0800 0.0500 -0.0165 973 MET 90 SD 0.0870 0.0197 0.0226 974 MET 90 CE 0.1267 0.0420 0.0070 975 MET 90 H -0.0562 0.0289 -0.0310 976 MET 90 HA -0.0193 0.0367 -0.0296 977 MET 90 HB2 0.0509 0.0586 -0.0356 978 MET 90 HB3 0.0665 0.0223 0.0134 979 MET 90 HG2 0.0634 0.0662 -0.0412 980 MET 90 HG3 0.1146 0.0624 -0.0215 981 MET 90 HE1 0.1103 0.0595 -0.0192 982 MET 90 HE2 0.1345 0.0267 0.0281 983 MET 90 HE3 0.1590 0.0534 0.0027 984 GLY 91 N -0.0311 -0.0146 0.0335 985 GLY 91 CA -0.0358 -0.0402 0.0588 986 GLY 91 C -0.0288 -0.0301 0.0496 987 GLY 91 O -0.0581 -0.0319 0.0467 988 GLY 91 H -0.0495 0.0015 0.0142 989 GLY 91 HA2 -0.0129 -0.0554 0.0779 990 GLY 91 HA3 -0.0676 -0.0517 0.0654 991 SER 92 N -0.0055 -0.0327 0.0578 992 SER 92 CA -0.0026 -0.0255 0.0476 993 SER 92 C 0.0167 -0.0364 0.0651 994 SER 92 O 0.0435 -0.0384 0.0704 995 SER 92 CB 0.0108 -0.0068 0.0218 996 SER 92 OG -0.0079 0.0030 0.0059 997 SER 92 H 0.0129 -0.0331 0.0601 998 SER 92 HA -0.0252 -0.0255 0.0456 999 SER 92 HB2 0.0334 -0.0067 0.0236 1000 SER 92 HB3 0.0119 -0.0011 0.0136 1001 SER 92 HG -0.0218 -0.0053 0.0167 1002 TYR 93 N 0.0262 -0.0551 0.0941 1003 TYR 93 CA 0.0117 -0.0444 0.0594 1004 TYR 93 C 0.0109 -0.0413 0.0543 1005 TYR 93 O 0.0273 -0.0406 0.0767 1006 TYR 93 CB 0.0276 -0.0142 0.0427 1007 TYR 93 CG 0.0128 -0.0021 0.0057 1008 TYR 93 CD1 -0.0055 -0.0095 -0.0107 1009 TYR 93 CD2 0.0169 0.0165 -0.0128 1010 TYR 93 CE1 -0.0192 0.0012 -0.0442 1011 TYR 93 CE2 0.0032 0.0273 -0.0464 1012 TYR 93 CZ -0.0147 0.0196 -0.0620 1013 TYR 93 OH -0.0286 0.0302 -0.0956 1014 TYR 93 H 0.0461 -0.0419 0.1051 1015 TYR 93 HA -0.0091 -0.0600 0.0502 1016 TYR 93 HB2 0.0315 -0.0162 0.0508 1017 TYR 93 HB3 0.0473 0.0016 0.0500 1018 TYR 93 HD1 -0.0088 -0.0239 0.0034 1019 TYR 93 HD2 0.0311 0.0225 -0.0004 1020 TYR 93 HE1 -0.0334 -0.0049 -0.0565 1021 TYR 93 HE2 0.0066 0.0418 -0.0605 1022 TYR 93 HH -0.0367 0.0267 -0.1025 1023 VAL 94 N -0.0019 -0.0398 0.0353 1024 VAL 94 CA -0.0045 -0.0315 0.0201 1025 VAL 94 C 0.0318 0.0150 0.0207 1026 VAL 94 O 0.0405 0.0498 -0.0097 1027 VAL 94 CB -0.0404 -0.0398 -0.0297 1028 VAL 94 CG1 -0.0427 -0.0112 -0.0707 1029 VAL 94 CG2 -0.0427 -0.0327 -0.0428 1030 VAL 94 H -0.0196 -0.0452 0.0125 1031 VAL 94 HA -0.0063 -0.0555 0.0482 1032 VAL 94 HB -0.0644 -0.0743 -0.0252 1033 VAL 94 HG11 -0.0678 -0.0182 -0.1040 1034 VAL 94 HG12 -0.0185 0.0236 -0.0752 1035 VAL 94 HG13 -0.0434 -0.0189 -0.0619 1036 VAL 94 HG21 -0.0183 0.0012 -0.0457 1037 VAL 94 HG22 -0.0675 -0.0385 -0.0771 1038 VAL 94 HG23 -0.0440 -0.0557 -0.0150