1 ASP 28 N -0.0278 0.0105 0.0119 2 ASP 28 CA -0.0177 0.0086 0.0025 3 ASP 28 C -0.0194 0.0154 -0.0041 4 ASP 28 O -0.0246 0.0162 0.0010 5 ASP 28 CB -0.0094 -0.0026 0.0070 6 ASP 28 CG 0.0013 -0.0052 -0.0022 7 ASP 28 OD1 0.0066 -0.0048 -0.0090 8 ASP 28 OD2 0.0047 -0.0082 -0.0024 9 ASP 28 H -0.0269 0.0059 0.0168 10 ASP 28 HA -0.0149 0.0104 -0.0030 11 ASP 28 HB2 -0.0083 -0.0073 0.0117 12 ASP 28 HB3 -0.0124 -0.0043 0.0127 13 PRO 29 N -0.0410 -0.0192 0.0073 14 PRO 29 CA -0.0370 -0.0182 0.0070 15 PRO 29 C -0.0283 -0.0271 0.0124 16 PRO 29 O -0.0195 -0.0293 0.0141 17 PRO 29 CB -0.0302 -0.0072 0.0014 18 PRO 29 CG -0.0341 -0.0012 -0.0021 19 PRO 29 CD -0.0371 -0.0097 0.0023 20 PRO 29 HA -0.0448 -0.0183 0.0066 21 PRO 29 HB2 -0.0204 -0.0085 0.0027 22 PRO 29 HB3 -0.0328 -0.0030 -0.0011 23 PRO 29 HG2 -0.0266 0.0041 -0.0046 24 PRO 29 HG3 -0.0422 0.0034 -0.0052 25 PRO 29 HD2 -0.0290 -0.0113 0.0037 26 PRO 29 HD3 -0.0446 -0.0070 0.0004 27 ASN 30 N -0.0011 -0.0231 -0.0147 28 ASN 30 CA -0.0063 -0.0181 -0.0102 29 ASN 30 C -0.0045 -0.0076 -0.0115 30 ASN 30 O -0.0073 -0.0017 -0.0090 31 ASN 30 CB -0.0139 -0.0199 -0.0038 32 ASN 30 CG -0.0198 -0.0148 0.0013 33 ASN 30 OD1 -0.0226 -0.0184 0.0037 34 ASN 30 ND2 -0.0217 -0.0066 0.0031 35 ASN 30 H 0.0009 -0.0287 -0.0165 36 ASN 30 HA -0.0060 -0.0210 -0.0105 37 ASN 30 HB2 -0.0149 -0.0273 -0.0031 38 ASN 30 HB3 -0.0136 -0.0178 -0.0040 39 ASN 30 HD21 -0.0193 -0.0041 0.0011 40 ASN 30 HD22 -0.0254 -0.0032 0.0064 41 ALA 31 N 0.0014 0.0351 -0.0208 42 ALA 31 CA 0.0015 0.0339 -0.0199 43 ALA 31 C -0.0006 0.0321 -0.0197 44 ALA 31 O -0.0023 0.0324 -0.0207 45 ALA 31 CB 0.0018 0.0352 -0.0207 46 ALA 31 H -0.0001 0.0349 -0.0214 47 ALA 31 HA 0.0029 0.0332 -0.0188 48 ALA 31 HB1 0.0019 0.0342 -0.0200 49 ALA 31 HB2 0.0003 0.0358 -0.0218 50 ALA 31 HB3 0.0033 0.0364 -0.0208 51 GLU 32 N 0.0117 0.0277 -0.0051 52 GLU 32 CA 0.0020 0.0169 -0.0036 53 GLU 32 C 0.0023 0.0089 -0.0000 54 GLU 32 O -0.0066 0.0007 0.0005 55 GLU 32 CB 0.0045 0.0093 0.0006 56 GLU 32 CG 0.0175 0.0042 0.0074 57 GLU 32 CD 0.0192 -0.0036 0.0115 58 GLU 32 OE1 0.0151 -0.0152 0.0152 59 GLU 32 OE2 0.0243 0.0016 0.0110 60 GLU 32 H 0.0200 0.0272 -0.0020 61 GLU 32 HA -0.0071 0.0205 -0.0084 62 GLU 32 HB2 -0.0030 0.0015 0.0015 63 GLU 32 HB3 0.0042 0.0153 -0.0022 64 GLU 32 HG2 0.0253 0.0120 0.0067 65 GLU 32 HG3 0.0181 -0.0015 0.0102 66 PHE 33 N 0.0107 -0.0050 0.0087 67 PHE 33 CA 0.0113 -0.0081 0.0099 68 PHE 33 C 0.0089 -0.0014 0.0070 69 PHE 33 O 0.0079 0.0060 0.0046 70 PHE 33 CB 0.0201 -0.0100 0.0146 71 PHE 33 CG 0.0262 -0.0024 0.0156 72 PHE 33 CD1 0.0281 0.0041 0.0149 73 PHE 33 CD2 0.0300 -0.0018 0.0173 74 PHE 33 CE1 0.0336 0.0111 0.0158 75 PHE 33 CE2 0.0355 0.0052 0.0182 76 PHE 33 CZ 0.0374 0.0116 0.0175 77 PHE 33 H 0.0147 -0.0006 0.0096 78 PHE 33 HA 0.0074 -0.0141 0.0095 79 PHE 33 HB2 0.0207 -0.0115 0.0153 80 PHE 33 HB3 0.0214 -0.0154 0.0166 81 PHE 33 HD1 0.0252 0.0038 0.0136 82 PHE 33 HD2 0.0286 -0.0068 0.0179 83 PHE 33 HE1 0.0350 0.0161 0.0152 84 PHE 33 HE2 0.0385 0.0055 0.0196 85 PHE 33 HZ 0.0417 0.0170 0.0182 86 ASP 34 N 0.0132 -0.0252 0.0121 87 ASP 34 CA 0.0116 -0.0228 0.0114 88 ASP 34 C 0.0125 -0.0215 0.0128 89 ASP 34 O 0.0135 -0.0229 0.0132 90 ASP 34 CB 0.0096 -0.0237 0.0093 91 ASP 34 CG 0.0078 -0.0213 0.0085 92 ASP 34 OD1 0.0078 -0.0200 0.0090 93 ASP 34 OD2 0.0063 -0.0206 0.0074 94 ASP 34 H 0.0134 -0.0268 0.0117 95 ASP 34 HA 0.0112 -0.0214 0.0116 96 ASP 34 HB2 0.0091 -0.0248 0.0084 97 ASP 34 HB3 0.0100 -0.0249 0.0091 98 PRO 35 N 0.0215 -0.0069 0.0128 99 PRO 35 CA 0.0279 -0.0015 0.0180 100 PRO 35 C 0.0226 -0.0006 0.0145 101 PRO 35 O 0.0271 0.0041 0.0184 102 PRO 35 CB 0.0294 0.0117 0.0211 103 PRO 35 CG 0.0191 0.0154 0.0147 104 PRO 35 CD 0.0156 0.0033 0.0104 105 PRO 35 HA 0.0356 -0.0068 0.0223 106 PRO 35 HB2 0.0306 0.0181 0.0230 107 PRO 35 HB3 0.0361 0.0113 0.0256 108 PRO 35 HG2 0.0131 0.0194 0.0113 109 PRO 35 HG3 0.0204 0.0223 0.0167 110 PRO 35 HD2 0.0071 0.0029 0.0046 111 PRO 35 HD3 0.0180 0.0025 0.0119 112 ASP 36 N 0.0035 -0.0295 0.0259 113 ASP 36 CA -0.0006 -0.0055 0.0134 114 ASP 36 C 0.0006 -0.0033 0.0064 115 ASP 36 O -0.0056 0.0165 0.0063 116 ASP 36 CB 0.0043 -0.0010 -0.0097 117 ASP 36 CG 0.0006 0.0233 -0.0241 118 ASP 36 OD1 -0.0076 0.0423 -0.0157 119 ASP 36 OD2 0.0061 0.0237 -0.0443 120 ASP 36 H 0.0107 -0.0439 0.0160 121 ASP 36 HA -0.0084 0.0081 0.0260 122 ASP 36 HB2 0.0029 -0.0016 -0.0039 123 ASP 36 HB3 0.0122 -0.0156 -0.0217 124 LEU 37 N 0.0064 -0.0202 -0.0068 125 LEU 37 CA 0.0069 -0.0206 -0.0083 126 LEU 37 C 0.0071 -0.0211 -0.0068 127 LEU 37 O 0.0078 -0.0223 -0.0050 128 LEU 37 CB 0.0081 -0.0223 -0.0100 129 LEU 37 CG 0.0079 -0.0217 -0.0122 130 LEU 37 CD1 0.0069 -0.0201 -0.0137 131 LEU 37 CD2 0.0075 -0.0212 -0.0114 132 LEU 37 H 0.0071 -0.0212 -0.0062 133 LEU 37 HA 0.0060 -0.0193 -0.0093 134 LEU 37 HB2 0.0089 -0.0234 -0.0089 135 LEU 37 HB3 0.0086 -0.0228 -0.0106 136 LEU 37 HG 0.0089 -0.0230 -0.0133 137 LEU 37 HD11 0.0068 -0.0198 -0.0152 138 LEU 37 HD12 0.0059 -0.0188 -0.0127 139 LEU 37 HD13 0.0072 -0.0205 -0.0143 140 LEU 37 HD21 0.0074 -0.0209 -0.0130 141 LEU 37 HD22 0.0083 -0.0225 -0.0104 142 LEU 37 HD23 0.0066 -0.0200 -0.0103 143 PRO 38 N 0.0073 -0.0132 -0.0155 144 PRO 38 CA 0.0039 -0.0112 -0.0168 145 PRO 38 C 0.0033 -0.0089 -0.0169 146 PRO 38 O 0.0057 -0.0068 -0.0158 147 PRO 38 CB 0.0041 -0.0084 -0.0166 148 PRO 38 CG 0.0070 -0.0101 -0.0155 149 PRO 38 CD 0.0096 -0.0121 -0.0145 150 PRO 38 HA 0.0017 -0.0131 -0.0179 151 PRO 38 HB2 0.0048 -0.0056 -0.0161 152 PRO 38 HB3 0.0016 -0.0083 -0.0176 153 PRO 38 HG2 0.0082 -0.0079 -0.0148 154 PRO 38 HG3 0.0058 -0.0122 -0.0161 155 PRO 38 HD2 0.0116 -0.0101 -0.0135 156 PRO 38 HD3 0.0108 -0.0146 -0.0141 157 GLY 39 N 0.0029 -0.0123 -0.0175 158 GLY 39 CA 0.0020 -0.0089 -0.0179 159 GLY 39 C 0.0048 -0.0110 -0.0164 160 GLY 39 O 0.0058 -0.0079 -0.0158 161 GLY 39 H 0.0004 -0.0150 -0.0189 162 GLY 39 HA2 -0.0019 -0.0088 -0.0200 163 GLY 39 HA3 0.0031 -0.0046 -0.0172 164 GLY 40 N 0.0104 -0.0224 -0.0047 165 GLY 40 CA 0.0111 -0.0208 -0.0014 166 GLY 40 C 0.0108 -0.0206 0.0001 167 GLY 40 O 0.0116 -0.0191 0.0027 168 GLY 40 H 0.0087 -0.0239 -0.0049 169 GLY 40 HA2 0.0098 -0.0213 0.0004 170 GLY 40 HA3 0.0133 -0.0191 -0.0016 171 GLY 41 N 0.0065 -0.0076 -0.0102 172 GLY 41 CA 0.0071 -0.0066 -0.0070 173 GLY 41 C 0.0069 -0.0028 -0.0067 174 GLY 41 O 0.0073 -0.0014 -0.0040 175 GLY 41 H 0.0062 -0.0088 -0.0117 176 GLY 41 HA2 0.0073 -0.0078 -0.0064 177 GLY 41 HA3 0.0075 -0.0074 -0.0052 178 LEU 42 N 0.0083 -0.0022 -0.0018 179 LEU 42 CA 0.0136 0.0038 -0.0035 180 LEU 42 C 0.0144 0.0060 -0.0104 181 LEU 42 O 0.0188 0.0109 -0.0120 182 LEU 42 CB 0.0151 0.0056 -0.0048 183 LEU 42 CG 0.0146 0.0038 0.0017 184 LEU 42 CD1 0.0161 0.0057 -0.0004 185 LEU 42 CD2 0.0181 0.0060 0.0089 186 LEU 42 H 0.0058 -0.0042 -0.0044 187 LEU 42 HA 0.0163 0.0056 0.0013 188 LEU 42 HB2 0.0125 0.0038 -0.0097 189 LEU 42 HB3 0.0191 0.0100 -0.0060 190 LEU 42 HG 0.0106 -0.0007 0.0028 191 LEU 42 HD11 0.0158 0.0045 0.0042 192 LEU 42 HD12 0.0201 0.0102 -0.0018 193 LEU 42 HD13 0.0134 0.0039 -0.0053 194 LEU 42 HD21 0.0222 0.0105 0.0079 195 LEU 42 HD22 0.0178 0.0048 0.0133 196 LEU 42 HD23 0.0169 0.0043 0.0106 197 HIS 43 N 0.0038 0.0068 -0.0151 198 HIS 43 CA 0.0035 0.0082 -0.0156 199 HIS 43 C 0.0043 0.0069 -0.0137 200 HIS 43 O 0.0043 0.0044 -0.0141 201 HIS 43 CB 0.0024 0.0076 -0.0186 202 HIS 43 CG 0.0015 0.0085 -0.0208 203 HIS 43 ND1 0.0009 0.0114 -0.0217 204 HIS 43 CD2 0.0010 0.0069 -0.0223 205 HIS 43 CE1 0.0001 0.0115 -0.0237 206 HIS 43 NE2 0.0002 0.0088 -0.0240 207 HIS 43 H 0.0039 0.0046 -0.0151 208 HIS 43 HA 0.0035 0.0105 -0.0151 209 HIS 43 HB2 0.0024 0.0053 -0.0189 210 HIS 43 HB3 0.0022 0.0089 -0.0188 211 HIS 43 HD1 0.0011 0.0131 -0.0210 212 HIS 43 HD2 0.0012 0.0045 -0.0221 213 HIS 43 HE1 -0.0004 0.0134 -0.0248 214 HIS 43 HE2 -0.0002 0.0084 -0.0251 215 ARG 44 N -0.0052 0.0030 -0.0004 216 ARG 44 CA -0.0052 0.0007 0.0023 217 ARG 44 C -0.0063 0.0001 0.0046 218 ARG 44 O -0.0078 0.0021 0.0048 219 ARG 44 CB -0.0069 0.0017 0.0038 220 ARG 44 CG -0.0067 0.0031 0.0018 221 ARG 44 CD -0.0086 0.0042 0.0035 222 ARG 44 NE -0.0086 0.0058 0.0017 223 ARG 44 CZ -0.0100 0.0067 0.0028 224 ARG 44 NH1 -0.0115 0.0062 0.0058 225 ARG 44 NH2 -0.0099 0.0080 0.0010 226 ARG 44 H -0.0067 0.0048 -0.0003 227 ARG 44 HA -0.0035 -0.0012 0.0018 228 ARG 44 HB2 -0.0087 0.0031 0.0050 229 ARG 44 HB3 -0.0066 -0.0002 0.0055 230 ARG 44 HG2 -0.0049 0.0015 0.0008 231 ARG 44 HG3 -0.0069 0.0048 -0.0000 232 ARG 44 HD2 -0.0103 0.0056 0.0046 233 ARG 44 HD3 -0.0083 0.0024 0.0053 234 ARG 44 HE -0.0075 0.0062 -0.0005 235 ARG 44 HH11 -0.0116 0.0051 0.0072 236 ARG 44 HH12 -0.0125 0.0068 0.0067 237 ARG 44 HH21 -0.0088 0.0085 -0.0013 238 ARG 44 HH22 -0.0109 0.0087 0.0018 239 CYS 45 N -0.0095 0.0040 0.0124 240 CYS 45 CA -0.0108 0.0030 0.0149 241 CYS 45 C -0.0126 0.0028 0.0175 242 CYS 45 O -0.0119 0.0009 0.0180 243 CYS 45 CB -0.0092 -0.0002 0.0153 244 CYS 45 SG -0.0108 -0.0019 0.0188 245 CYS 45 H -0.0082 0.0026 0.0117 246 CYS 45 HA -0.0118 0.0049 0.0147 247 CYS 45 HB2 -0.0081 0.0002 0.0135 248 CYS 45 HB3 -0.0079 -0.0019 0.0149 249 LEU 46 N -0.0244 -0.0060 0.0345 250 LEU 46 CA -0.0237 -0.0049 0.0157 251 LEU 46 C -0.0168 0.0045 0.0160 252 LEU 46 O -0.0102 0.0136 0.0031 253 LEU 46 CB -0.0354 -0.0208 0.0079 254 LEU 46 CG -0.0427 -0.0307 0.0057 255 LEU 46 CD1 -0.0544 -0.0466 -0.0006 256 LEU 46 CD2 -0.0375 -0.0234 -0.0080 257 LEU 46 H -0.0317 -0.0160 0.0407 258 LEU 46 HA -0.0195 0.0010 0.0067 259 LEU 46 HB2 -0.0396 -0.0266 0.0171 260 LEU 46 HB3 -0.0347 -0.0197 -0.0058 261 LEU 46 HG -0.0430 -0.0312 0.0194 262 LEU 46 HD11 -0.0583 -0.0520 0.0099 263 LEU 46 HD12 -0.0593 -0.0533 -0.0026 264 LEU 46 HD13 -0.0540 -0.0459 -0.0139 265 LEU 46 HD21 -0.0295 -0.0126 -0.0026 266 LEU 46 HD22 -0.0364 -0.0219 -0.0216 267 LEU 46 HD23 -0.0430 -0.0309 -0.0095 268 ALA 47 N -0.0225 -0.0032 0.0245 269 ALA 47 CA -0.0252 -0.0056 0.0223 270 ALA 47 C -0.0275 -0.0055 0.0225 271 ALA 47 O -0.0304 -0.0069 0.0212 272 ALA 47 CB -0.0230 -0.0083 0.0197 273 ALA 47 H -0.0198 -0.0035 0.0241 274 ALA 47 HA -0.0271 -0.0056 0.0224 275 ALA 47 HB1 -0.0249 -0.0101 0.0181 276 ALA 47 HB2 -0.0210 -0.0084 0.0196 277 ALA 47 HB3 -0.0213 -0.0084 0.0196 278 CYS 48 N -0.0138 0.0066 0.0155 279 CYS 48 CA -0.0127 0.0047 0.0150 280 CYS 48 C -0.0123 0.0040 0.0143 281 CYS 48 O -0.0114 0.0023 0.0141 282 CYS 48 CB -0.0124 0.0042 0.0133 283 CYS 48 SG -0.0126 0.0045 0.0142 284 CYS 48 H -0.0143 0.0076 0.0145 285 CYS 48 HA -0.0123 0.0039 0.0164 286 CYS 48 HB2 -0.0128 0.0050 0.0118 287 CYS 48 HB3 -0.0116 0.0027 0.0129 288 ALA 49 N -0.0075 -0.0020 0.0158 289 ALA 49 CA -0.0065 -0.0038 0.0134 290 ALA 49 C -0.0056 -0.0061 0.0095 291 ALA 49 O -0.0040 -0.0085 0.0077 292 ALA 49 CB -0.0039 -0.0057 0.0162 293 ALA 49 H -0.0095 0.0004 0.0163 294 ALA 49 HA -0.0085 -0.0021 0.0125 295 ALA 49 HB1 -0.0019 -0.0074 0.0172 296 ALA 49 HB2 -0.0045 -0.0040 0.0189 297 ALA 49 HB3 -0.0033 -0.0069 0.0144 298 ARG 50 N 0.0015 -0.0033 0.0171 299 ARG 50 CA -0.0084 -0.0059 0.0184 300 ARG 50 C -0.0084 -0.0092 0.0217 301 ARG 50 O -0.0028 -0.0068 0.0200 302 ARG 50 CB -0.0153 -0.0001 0.0117 303 ARG 50 CG -0.0165 0.0033 0.0082 304 ARG 50 CD -0.0235 0.0090 0.0017 305 ARG 50 NE -0.0246 0.0124 -0.0019 306 ARG 50 CZ -0.0298 0.0180 -0.0080 307 ARG 50 NH1 -0.0347 0.0205 -0.0112 308 ARG 50 NH2 -0.0301 0.0208 -0.0109 309 ARG 50 H 0.0047 0.0008 0.0133 310 ARG 50 HA -0.0109 -0.0098 0.0220 311 ARG 50 HB2 -0.0127 0.0039 0.0081 312 ARG 50 HB3 -0.0225 -0.0023 0.0130 313 ARG 50 HG2 -0.0193 -0.0006 0.0118 314 ARG 50 HG3 -0.0095 0.0056 0.0068 315 ARG 50 HD2 -0.0208 0.0128 -0.0018 316 ARG 50 HD3 -0.0306 0.0066 0.0031 317 ARG 50 HE -0.0212 0.0104 0.0006 318 ARG 50 HH11 -0.0347 0.0184 -0.0091 319 ARG 50 HH12 -0.0387 0.0246 -0.0157 320 ARG 50 HH21 -0.0266 0.0190 -0.0087 321 ARG 50 HH22 -0.0338 0.0250 -0.0156 322 TYR 51 N 0.0007 -0.0029 -0.0042 323 TYR 51 CA -0.0010 -0.0030 -0.0063 324 TYR 51 C -0.0028 -0.0031 -0.0085 325 TYR 51 O -0.0025 -0.0050 -0.0091 326 TYR 51 CB -0.0002 -0.0059 -0.0067 327 TYR 51 CG 0.0018 -0.0061 -0.0045 328 TYR 51 CD1 0.0039 -0.0075 -0.0026 329 TYR 51 CD2 0.0016 -0.0049 -0.0041 330 TYR 51 CE1 0.0057 -0.0077 -0.0006 331 TYR 51 CE2 0.0034 -0.0052 -0.0021 332 TYR 51 CZ 0.0054 -0.0065 -0.0003 333 TYR 51 OH 0.0073 -0.0068 0.0018 334 TYR 51 H 0.0015 -0.0048 -0.0042 335 TYR 51 HA -0.0015 -0.0010 -0.0059 336 TYR 51 HB2 0.0003 -0.0078 -0.0072 337 TYR 51 HB3 -0.0015 -0.0059 -0.0083 338 TYR 51 HD1 0.0041 -0.0084 -0.0028 339 TYR 51 HD2 -0.0000 -0.0038 -0.0055 340 TYR 51 HE1 0.0073 -0.0088 0.0008 341 TYR 51 HE2 0.0032 -0.0042 -0.0019 342 TYR 51 HH 0.0083 -0.0088 0.0020 343 PHE 52 N 0.0006 0.0084 -0.0167 344 PHE 52 CA 0.0011 0.0080 -0.0181 345 PHE 52 C 0.0002 0.0088 -0.0220 346 PHE 52 O -0.0019 0.0103 -0.0231 347 PHE 52 CB -0.0007 0.0092 -0.0159 348 PHE 52 CG 0.0001 0.0086 -0.0119 349 PHE 52 CD1 -0.0012 0.0094 -0.0095 350 PHE 52 CD2 0.0020 0.0071 -0.0106 351 PHE 52 CE1 -0.0005 0.0088 -0.0059 352 PHE 52 CE2 0.0027 0.0065 -0.0069 353 PHE 52 CZ 0.0014 0.0074 -0.0046 354 PHE 52 H -0.0015 0.0098 -0.0165 355 PHE 52 HA 0.0034 0.0063 -0.0179 356 PHE 52 HB2 -0.0030 0.0109 -0.0162 357 PHE 52 HB3 -0.0003 0.0090 -0.0170 358 PHE 52 HD1 -0.0027 0.0106 -0.0105 359 PHE 52 HD2 0.0030 0.0065 -0.0124 360 PHE 52 HE1 -0.0016 0.0095 -0.0041 361 PHE 52 HE2 0.0042 0.0054 -0.0059 362 PHE 52 HZ 0.0019 0.0069 -0.0017 363 ILE 53 N -0.0023 0.0174 -0.0196 364 ILE 53 CA -0.0107 0.0038 -0.0045 365 ILE 53 C -0.0090 -0.0096 0.0012 366 ILE 53 O -0.0091 -0.0260 0.0102 367 ILE 53 CB -0.0285 0.0140 0.0064 368 ILE 53 CG1 -0.0363 0.0280 0.0059 369 ILE 53 CG2 -0.0307 0.0240 0.0030 370 ILE 53 CD1 -0.0539 0.0382 0.0167 371 ILE 53 H -0.0087 0.0310 -0.0210 372 ILE 53 HA -0.0057 -0.0046 -0.0045 373 ILE 53 HB -0.0341 0.0031 0.0174 374 ILE 53 HG12 -0.0305 0.0388 -0.0052 375 ILE 53 HG13 -0.0346 0.0202 0.0086 376 ILE 53 HG21 -0.0245 0.0344 -0.0083 377 ILE 53 HG22 -0.0260 0.0136 0.0043 378 ILE 53 HG23 -0.0433 0.0312 0.0107 379 ILE 53 HD11 -0.0602 0.0278 0.0280 380 ILE 53 HD12 -0.0583 0.0479 0.0155 381 ILE 53 HD13 -0.0559 0.0461 0.0142 382 ASP 54 N 0.0016 0.0146 -0.0149 383 ASP 54 CA 0.0038 0.0098 -0.0128 384 ASP 54 C 0.0046 0.0064 -0.0166 385 ASP 54 O 0.0034 0.0081 -0.0199 386 ASP 54 CB 0.0043 0.0104 -0.0076 387 ASP 54 CG 0.0065 0.0057 -0.0048 388 ASP 54 OD1 0.0075 0.0043 -0.0021 389 ASP 54 OD2 0.0074 0.0034 -0.0054 390 ASP 54 H 0.0008 0.0157 -0.0173 391 ASP 54 HA 0.0045 0.0083 -0.0120 392 ASP 54 HB2 0.0037 0.0130 -0.0050 393 ASP 54 HB3 0.0036 0.0119 -0.0083 394 SER 55 N 0.0037 0.0061 -0.0139 395 SER 55 CA 0.0009 -0.0002 -0.0145 396 SER 55 C 0.0028 -0.0013 -0.0083 397 SER 55 O 0.0014 -0.0036 -0.0094 398 SER 55 CB -0.0017 -0.0069 -0.0144 399 SER 55 OG -0.0044 -0.0134 -0.0147 400 SER 55 H 0.0037 0.0053 -0.0130 401 SER 55 HA -0.0006 0.0006 -0.0196 402 SER 55 HB2 -0.0032 -0.0061 -0.0193 403 SER 55 HB3 -0.0003 -0.0075 -0.0097 404 SER 55 HG -0.0035 -0.0155 -0.0098 405 THR 56 N 0.0008 -0.0082 -0.0051 406 THR 56 CA 0.0029 -0.0069 0.0061 407 THR 56 C 0.0045 0.0058 0.0006 408 THR 56 O 0.0043 0.0038 0.0016 409 THR 56 CB 0.0063 -0.0031 0.0223 410 THR 56 OG1 0.0048 -0.0141 0.0264 411 THR 56 CG2 0.0082 -0.0040 0.0348 412 THR 56 H 0.0019 -0.0056 -0.0016 413 THR 56 HA 0.0009 -0.0180 0.0070 414 THR 56 HB 0.0084 0.0085 0.0212 415 THR 56 HG1 0.0047 -0.0101 0.0211 416 THR 56 HG21 0.0106 -0.0011 0.0460 417 THR 56 HG22 0.0060 -0.0156 0.0355 418 THR 56 HG23 0.0093 0.0043 0.0317 419 ASN 57 N 0.0022 0.0076 -0.0056 420 ASN 57 CA 0.0013 0.0125 -0.0086 421 ASN 57 C 0.0024 0.0116 -0.0144 422 ASN 57 O 0.0021 0.0143 -0.0170 423 ASN 57 CB 0.0003 0.0160 -0.0078 424 ASN 57 CG -0.0013 0.0190 -0.0027 425 ASN 57 OD1 -0.0024 0.0233 -0.0027 426 ASN 57 ND2 -0.0013 0.0168 0.0016 427 ASN 57 H 0.0021 0.0069 -0.0042 428 ASN 57 HA 0.0006 0.0143 -0.0070 429 ASN 57 HB2 0.0009 0.0135 -0.0075 430 ASN 57 HB3 0.0001 0.0186 -0.0112 431 ASN 57 HD21 -0.0004 0.0134 0.0016 432 ASN 57 HD22 -0.0024 0.0188 0.0049 433 LEU 58 N 0.0053 0.0037 -0.0158 434 LEU 58 CA 0.0037 0.0035 -0.0147 435 LEU 58 C 0.0026 0.0027 -0.0129 436 LEU 58 O 0.0024 0.0019 -0.0114 437 LEU 58 CB 0.0020 0.0048 -0.0161 438 LEU 58 CG -0.0001 0.0048 -0.0153 439 LEU 58 CD1 -0.0017 0.0048 -0.0145 440 LEU 58 CD2 0.0004 0.0039 -0.0139 441 LEU 58 H 0.0051 0.0045 -0.0171 442 LEU 58 HA 0.0044 0.0031 -0.0143 443 LEU 58 HB2 0.0029 0.0052 -0.0172 444 LEU 58 HB3 0.0016 0.0053 -0.0169 445 LEU 58 HG -0.0008 0.0057 -0.0164 446 LEU 58 HD11 -0.0032 0.0048 -0.0139 447 LEU 58 HD12 -0.0011 0.0039 -0.0133 448 LEU 58 HD13 -0.0021 0.0055 -0.0156 449 LEU 58 HD21 0.0010 0.0030 -0.0127 450 LEU 58 HD22 -0.0011 0.0040 -0.0133 451 LEU 58 HD23 0.0015 0.0040 -0.0145 452 LYS 59 N 0.0057 -0.0057 -0.0100 453 LYS 59 CA 0.0047 -0.0086 -0.0078 454 LYS 59 C 0.0048 -0.0019 -0.0036 455 LYS 59 O 0.0051 -0.0017 -0.0048 456 LYS 59 CB 0.0023 -0.0163 -0.0029 457 LYS 59 CG 0.0005 -0.0153 0.0052 458 LYS 59 CD -0.0018 -0.0234 0.0093 459 LYS 59 CE -0.0030 -0.0270 0.0114 460 LYS 59 NZ -0.0036 -0.0219 0.0174 461 LYS 59 H 0.0049 -0.0079 -0.0079 462 LYS 59 HA 0.0059 -0.0101 -0.0134 463 LYS 59 HB2 0.0017 -0.0186 -0.0019 464 LYS 59 HB3 0.0024 -0.0209 -0.0063 465 LYS 59 HG2 0.0011 -0.0128 0.0042 466 LYS 59 HG3 0.0002 -0.0111 0.0089 467 LYS 59 HD2 -0.0015 -0.0276 0.0052 468 LYS 59 HD3 -0.0030 -0.0225 0.0146 469 LYS 59 HE2 -0.0018 -0.0277 0.0061 470 LYS 59 HE3 -0.0045 -0.0329 0.0139 471 LYS 59 HZ1 -0.0048 -0.0214 0.0227 472 LYS 59 HZ2 -0.0043 -0.0245 0.0187 473 LYS 59 HZ3 -0.0022 -0.0160 0.0155 474 THR 60 N 0.0045 -0.0010 0.0052 475 THR 60 CA 0.0044 0.0016 0.0064 476 THR 60 C 0.0068 0.0033 0.0055 477 THR 60 O 0.0071 0.0056 0.0063 478 THR 60 CB 0.0033 0.0017 0.0072 479 THR 60 OG1 0.0010 0.0001 0.0080 480 THR 60 CG2 0.0031 0.0044 0.0084 481 THR 60 H 0.0041 -0.0023 0.0049 482 THR 60 HA 0.0033 0.0022 0.0074 483 THR 60 HB 0.0044 0.0010 0.0061 484 THR 60 HG1 0.0011 -0.0017 0.0071 485 THR 60 HG21 0.0023 0.0043 0.0089 486 THR 60 HG22 0.0020 0.0051 0.0094 487 THR 60 HG23 0.0048 0.0056 0.0078 488 HIS 61 N 0.0106 0.0023 0.0025 489 HIS 61 CA 0.0098 0.0012 0.0040 490 HIS 61 C 0.0061 -0.0006 0.0073 491 HIS 61 O 0.0062 -0.0026 0.0097 492 HIS 61 CB 0.0089 0.0037 0.0011 493 HIS 61 CG 0.0066 0.0030 0.0025 494 HIS 61 ND1 0.0086 0.0012 0.0044 495 HIS 61 CD2 0.0022 0.0038 0.0026 496 HIS 61 CE1 0.0055 0.0009 0.0055 497 HIS 61 NE2 0.0017 0.0024 0.0044 498 HIS 61 H 0.0099 0.0044 -0.0000 499 HIS 61 HA 0.0130 -0.0002 0.0051 500 HIS 61 HB2 0.0121 0.0043 -0.0004 501 HIS 61 HB3 0.0068 0.0056 -0.0008 502 HIS 61 HD1 0.0118 0.0002 0.0048 503 HIS 61 HD2 -0.0004 0.0053 0.0014 504 HIS 61 HE1 0.0055 -0.0004 0.0071 505 PHE 62 N 0.0080 0.0023 0.0089 506 PHE 62 CA 0.0066 0.0005 0.0088 507 PHE 62 C 0.0071 -0.0006 0.0111 508 PHE 62 O 0.0061 -0.0022 0.0114 509 PHE 62 CB 0.0049 -0.0010 0.0078 510 PHE 62 CG 0.0044 -0.0001 0.0057 511 PHE 62 CD1 0.0042 0.0012 0.0038 512 PHE 62 CD2 0.0040 -0.0005 0.0056 513 PHE 62 CE1 0.0037 0.0020 0.0018 514 PHE 62 CE2 0.0035 0.0003 0.0036 515 PHE 62 CZ 0.0034 0.0016 0.0017 516 PHE 62 H 0.0080 0.0021 0.0092 517 PHE 62 HA 0.0065 0.0012 0.0077 518 PHE 62 HB2 0.0049 -0.0020 0.0091 519 PHE 62 HB3 0.0040 -0.0020 0.0074 520 PHE 62 HD1 0.0045 0.0015 0.0039 521 PHE 62 HD2 0.0041 -0.0015 0.0070 522 PHE 62 HE1 0.0036 0.0030 0.0004 523 PHE 62 HE2 0.0032 -0.0001 0.0036 524 PHE 62 HZ 0.0030 0.0023 0.0003 525 ARG 63 N 0.0288 0.0133 0.0429 526 ARG 63 CA 0.0238 0.0217 0.0339 527 ARG 63 C 0.0275 0.0198 0.0397 528 ARG 63 O 0.0238 0.0255 0.0332 529 ARG 63 CB 0.0134 0.0164 0.0191 530 ARG 63 CG 0.0093 0.0215 0.0120 531 ARG 63 CD -0.0011 0.0158 -0.0026 532 ARG 63 NE -0.0060 0.0222 -0.0112 533 ARG 63 CZ -0.0152 0.0214 -0.0249 534 ARG 63 NH1 -0.0206 0.0152 -0.0320 535 ARG 63 NH2 -0.0189 0.0270 -0.0315 536 ARG 63 H 0.0260 0.0027 0.0403 537 ARG 63 HA 0.0253 0.0348 0.0339 538 ARG 63 HB2 0.0120 0.0031 0.0193 539 ARG 63 HB3 0.0101 0.0220 0.0131 540 ARG 63 HG2 0.0105 0.0348 0.0116 541 ARG 63 HG3 0.0126 0.0161 0.0180 542 ARG 63 HD2 -0.0037 0.0200 -0.0073 543 ARG 63 HD3 -0.0022 0.0024 -0.0022 544 ARG 63 HE -0.0021 0.0272 -0.0061 545 ARG 63 HH11 -0.0180 0.0110 -0.0274 546 ARG 63 HH12 -0.0276 0.0144 -0.0424 547 ARG 63 HH21 -0.0150 0.0319 -0.0264 548 ARG 63 HH22 -0.0258 0.0267 -0.0418 549 SER 64 N 0.0136 0.0161 0.0468 550 SER 64 CA 0.0138 0.0193 0.0434 551 SER 64 C 0.0076 0.0089 0.0391 552 SER 64 O 0.0030 0.0061 0.0295 553 SER 64 CB 0.0146 0.0290 0.0334 554 SER 64 OG 0.0194 0.0378 0.0358 555 SER 64 H 0.0124 0.0180 0.0412 556 SER 64 HA 0.0174 0.0218 0.0506 557 SER 64 HB2 0.0104 0.0258 0.0256 558 SER 64 HB3 0.0155 0.0324 0.0318 559 SER 64 HG 0.0232 0.0418 0.0416 560 LYS 65 N 0.0062 0.0254 0.0707 561 LYS 65 CA 0.0147 -0.0023 0.0451 562 LYS 65 C -0.0013 0.0021 0.0117 563 LYS 65 O 0.0051 -0.0174 -0.0054 564 LYS 65 CB 0.0253 -0.0207 0.0409 565 LYS 65 CG 0.0118 -0.0038 0.0351 566 LYS 65 CD -0.0084 0.0073 0.0023 567 LYS 65 CE -0.0210 0.0237 -0.0019 568 LYS 65 NZ -0.0413 0.0363 -0.0327 569 LYS 65 H 0.0054 0.0323 0.0803 570 LYS 65 HA 0.0273 -0.0155 0.0550 571 LYS 65 HB2 0.0292 -0.0390 0.0197 572 LYS 65 HB3 0.0402 -0.0302 0.0629 573 LYS 65 HG2 0.0217 -0.0187 0.0350 574 LYS 65 HG3 0.0073 0.0150 0.0557 575 LYS 65 HD2 -0.0185 0.0222 0.0018 576 LYS 65 HD3 -0.0036 -0.0118 -0.0181 577 LYS 65 HE2 -0.0111 0.0081 -0.0032 578 LYS 65 HE3 -0.0245 0.0416 0.0197 579 LYS 65 HZ1 -0.0387 0.0197 -0.0542 580 LYS 65 HZ2 -0.0516 0.0521 -0.0321 581 LYS 65 HZ3 -0.0493 0.0468 -0.0351 582 ASP 66 N -0.0070 0.0053 0.0230 583 ASP 66 CA -0.0085 0.0073 0.0153 584 ASP 66 C -0.0096 0.0070 0.0103 585 ASP 66 O -0.0110 0.0054 0.0036 586 ASP 66 CB -0.0083 0.0152 0.0149 587 ASP 66 CG -0.0098 0.0170 0.0074 588 ASP 66 OD1 -0.0101 0.0153 0.0061 589 ASP 66 OD2 -0.0107 0.0204 0.0026 590 ASP 66 H -0.0061 0.0093 0.0269 591 ASP 66 HA -0.0091 0.0031 0.0134 592 ASP 66 HB2 -0.0075 0.0155 0.0192 593 ASP 66 HB3 -0.0079 0.0193 0.0162 594 HIS 67 N -0.0095 0.0002 0.0056 595 HIS 67 CA -0.0099 0.0006 0.0049 596 HIS 67 C -0.0087 -0.0041 0.0034 597 HIS 67 O -0.0095 -0.0047 -0.0001 598 HIS 67 CB -0.0092 0.0026 0.0096 599 HIS 67 CG -0.0095 0.0035 0.0094 600 HIS 67 ND1 -0.0112 0.0050 0.0054 601 HIS 67 CD2 -0.0088 0.0045 0.0130 602 HIS 67 CE1 -0.0115 0.0071 0.0066 603 HIS 67 NE2 -0.0101 0.0069 0.0112 604 HIS 67 H -0.0089 0.0010 0.0088 605 HIS 67 HA -0.0114 0.0029 0.0021 606 HIS 67 HB2 -0.0100 0.0061 0.0109 607 HIS 67 HB3 -0.0076 0.0003 0.0124 608 HIS 67 HD1 -0.0121 0.0047 0.0020 609 HIS 67 HD2 -0.0073 0.0029 0.0163 610 HIS 67 HE1 -0.0127 0.0087 0.0043 611 LYS 68 N -0.0120 -0.0048 0.0008 612 LYS 68 CA -0.0108 -0.0077 0.0004 613 LYS 68 C -0.0163 -0.0162 -0.0044 614 LYS 68 O -0.0196 -0.0176 -0.0062 615 LYS 68 CB -0.0005 -0.0100 0.0038 616 LYS 68 CG 0.0051 -0.0015 0.0087 617 LYS 68 CD 0.0155 -0.0043 0.0120 618 LYS 68 CE 0.0193 -0.0129 0.0108 619 LYS 68 NZ 0.0295 -0.0153 0.0141 620 LYS 68 H -0.0067 -0.0061 0.0026 621 LYS 68 HA -0.0136 -0.0017 0.0012 622 LYS 68 HB2 0.0020 -0.0163 0.0028 623 LYS 68 HB3 0.0006 -0.0115 0.0038 624 LYS 68 HG2 0.0025 0.0053 0.0098 625 LYS 68 HG3 0.0042 0.0000 0.0088 626 LYS 68 HD2 0.0166 -0.0063 0.0118 627 LYS 68 HD3 0.0193 0.0017 0.0154 628 LYS 68 HE2 0.0179 -0.0111 0.0108 629 LYS 68 HE3 0.0158 -0.0191 0.0075 630 LYS 68 HZ1 0.0312 -0.0171 0.0142 631 LYS 68 HZ2 0.0320 -0.0210 0.0133 632 LYS 68 HZ3 0.0328 -0.0094 0.0173 633 LYS 69 N -0.0285 -0.0168 -0.0096 634 LYS 69 CA -0.0244 -0.0117 -0.0055 635 LYS 69 C -0.0145 -0.0127 -0.0171 636 LYS 69 O -0.0155 -0.0148 -0.0196 637 LYS 69 CB -0.0181 -0.0012 0.0052 638 LYS 69 CG -0.0096 0.0061 0.0087 639 LYS 69 CD -0.0032 0.0160 0.0184 640 LYS 69 CE 0.0065 0.0245 0.0225 641 LYS 69 NZ 0.0124 0.0337 0.0315 642 LYS 69 H -0.0272 -0.0131 -0.0048 643 LYS 69 HA -0.0327 -0.0145 -0.0017 644 LYS 69 HB2 -0.0257 -0.0006 0.0140 645 LYS 69 HB3 -0.0122 0.0006 0.0023 646 LYS 69 HG2 -0.0024 0.0050 -0.0005 647 LYS 69 HG3 -0.0154 0.0051 0.0129 648 LYS 69 HD2 -0.0109 0.0165 0.0271 649 LYS 69 HD3 0.0016 0.0164 0.0141 650 LYS 69 HE2 0.0140 0.0239 0.0139 651 LYS 69 HE3 0.0015 0.0246 0.0277 652 LYS 69 HZ1 0.0195 0.0399 0.0344 653 LYS 69 HZ2 0.0169 0.0335 0.0267 654 LYS 69 HZ3 0.0052 0.0343 0.0397 655 ARG 70 N -0.0231 -0.0016 -0.0050 656 ARG 70 CA -0.0141 -0.0049 -0.0064 657 ARG 70 C -0.0129 -0.0118 -0.0083 658 ARG 70 O -0.0056 -0.0129 -0.0090 659 ARG 70 CB -0.0122 -0.0087 -0.0075 660 ARG 70 CG -0.0026 -0.0115 -0.0088 661 ARG 70 CD 0.0039 -0.0039 -0.0073 662 ARG 70 NE 0.0132 -0.0065 -0.0085 663 ARG 70 CZ 0.0201 -0.0027 -0.0079 664 ARG 70 NH1 0.0186 0.0040 -0.0061 665 ARG 70 NH2 0.0284 -0.0055 -0.0091 666 ARG 70 H -0.0273 -0.0030 -0.0051 667 ARG 70 HA -0.0095 0.0004 -0.0053 668 ARG 70 HB2 -0.0141 -0.0041 -0.0062 669 ARG 70 HB3 -0.0165 -0.0144 -0.0087 670 ARG 70 HG2 -0.0018 -0.0139 -0.0095 671 ARG 70 HG3 -0.0011 -0.0166 -0.0102 672 ARG 70 HD2 0.0030 -0.0014 -0.0065 673 ARG 70 HD3 0.0025 0.0011 -0.0059 674 ARG 70 HE 0.0144 -0.0113 -0.0098 675 ARG 70 HH11 0.0125 0.0064 -0.0051 676 ARG 70 HH12 0.0237 0.0068 -0.0057 677 ARG 70 HH21 0.0296 -0.0104 -0.0105 678 ARG 70 HH22 0.0338 -0.0029 -0.0088 679 LEU 71 N -0.0176 -0.0171 -0.0084 680 LEU 71 CA -0.0162 -0.0169 -0.0070 681 LEU 71 C -0.0148 -0.0183 -0.0084 682 LEU 71 O -0.0146 -0.0182 -0.0082 683 LEU 71 CB -0.0145 -0.0164 -0.0050 684 LEU 71 CG -0.0157 -0.0150 -0.0034 685 LEU 71 CD1 -0.0137 -0.0147 -0.0014 686 LEU 71 CD2 -0.0177 -0.0137 -0.0025 687 LEU 71 H -0.0171 -0.0171 -0.0081 688 LEU 71 HA -0.0175 -0.0160 -0.0064 689 LEU 71 HB2 -0.0132 -0.0174 -0.0057 690 LEU 71 HB3 -0.0135 -0.0163 -0.0040 691 LEU 71 HG -0.0165 -0.0152 -0.0043 692 LEU 71 HD11 -0.0129 -0.0145 -0.0004 693 LEU 71 HD12 -0.0124 -0.0156 -0.0020 694 LEU 71 HD13 -0.0146 -0.0137 -0.0003 695 LEU 71 HD21 -0.0191 -0.0139 -0.0039 696 LEU 71 HD22 -0.0169 -0.0135 -0.0016 697 LEU 71 HD23 -0.0184 -0.0127 -0.0013 698 LYS 72 N -0.0149 -0.0199 -0.0019 699 LYS 72 CA -0.0101 -0.0112 -0.0017 700 LYS 72 C -0.0040 -0.0102 0.0037 701 LYS 72 O 0.0019 -0.0062 0.0074 702 LYS 72 CB -0.0139 -0.0048 -0.0087 703 LYS 72 CG -0.0095 0.0045 -0.0092 704 LYS 72 CD -0.0137 0.0104 -0.0163 705 LYS 72 CE -0.0094 0.0197 -0.0168 706 LYS 72 NZ -0.0135 0.0255 -0.0238 707 LYS 72 H -0.0196 -0.0208 -0.0061 708 LYS 72 HA -0.0083 -0.0101 -0.0005 709 LYS 72 HB2 -0.0182 -0.0058 -0.0125 710 LYS 72 HB3 -0.0158 -0.0061 -0.0099 711 LYS 72 HG2 -0.0054 0.0057 -0.0058 712 LYS 72 HG3 -0.0073 0.0059 -0.0077 713 LYS 72 HD2 -0.0179 0.0091 -0.0197 714 LYS 72 HD3 -0.0158 0.0091 -0.0177 715 LYS 72 HE2 -0.0054 0.0210 -0.0136 716 LYS 72 HE3 -0.0071 0.0209 -0.0152 717 LYS 72 HZ1 -0.0157 0.0246 -0.0255 718 LYS 72 HZ2 -0.0174 0.0245 -0.0271 719 LYS 72 HZ3 -0.0104 0.0319 -0.0240 720 GLN 73 N -0.0117 -0.0081 -0.0044 721 GLN 73 CA -0.0043 -0.0058 -0.0041 722 GLN 73 C 0.0005 -0.0117 -0.0068 723 GLN 73 O 0.0052 -0.0112 -0.0069 724 GLN 73 CB -0.0016 -0.0021 -0.0029 725 GLN 73 CG -0.0058 0.0041 -0.0001 726 GLN 73 CD -0.0031 0.0074 0.0010 727 GLN 73 OE1 -0.0005 0.0042 -0.0005 728 GLN 73 NE2 -0.0038 0.0139 0.0035 729 GLN 73 H -0.0140 -0.0078 -0.0042 730 GLN 73 HA -0.0041 -0.0024 -0.0028 731 GLN 73 HB2 -0.0019 -0.0055 -0.0042 732 GLN 73 HB3 0.0039 -0.0006 -0.0027 733 GLN 73 HG2 -0.0052 0.0076 0.0012 734 GLN 73 HG3 -0.0113 0.0027 -0.0003 735 GLN 73 HE21 -0.0059 0.0162 0.0046 736 GLN 73 HE22 -0.0022 0.0164 0.0044 737 LEU 74 N 0.0004 -0.0082 0.0025 738 LEU 74 CA 0.0055 -0.0155 0.0003 739 LEU 74 C 0.0027 -0.0183 -0.0014 740 LEU 74 O 0.0073 -0.0234 -0.0028 741 LEU 74 CB 0.0049 -0.0221 -0.0026 742 LEU 74 CG 0.0107 -0.0299 -0.0050 743 LEU 74 CD1 0.0202 -0.0281 -0.0025 744 LEU 74 CD2 0.0092 -0.0359 -0.0078 745 LEU 74 H -0.0044 -0.0087 0.0014 746 LEU 74 HA 0.0121 -0.0139 0.0021 747 LEU 74 HB2 0.0061 -0.0196 -0.0014 748 LEU 74 HB3 -0.0017 -0.0235 -0.0044 749 LEU 74 HG 0.0091 -0.0327 -0.0064 750 LEU 74 HD11 0.0242 -0.0337 -0.0042 751 LEU 74 HD12 0.0220 -0.0252 -0.0010 752 LEU 74 HD13 0.0213 -0.0242 -0.0007 753 LEU 74 HD21 0.0108 -0.0332 -0.0064 754 LEU 74 HD22 0.0134 -0.0413 -0.0094 755 LEU 74 HD23 0.0025 -0.0373 -0.0096 756 SER 75 N -0.0107 -0.0131 0.0046 757 SER 75 CA -0.0154 -0.0044 0.0024 758 SER 75 C -0.0150 -0.0034 -0.0063 759 SER 75 O -0.0184 0.0028 -0.0079 760 SER 75 CB -0.0187 -0.0004 0.0111 761 SER 75 OG -0.0234 0.0081 0.0094 762 SER 75 H -0.0094 -0.0150 0.0029 763 SER 75 HA -0.0169 -0.0015 0.0005 764 SER 75 HB2 -0.0189 -0.0012 0.0169 765 SER 75 HB3 -0.0172 -0.0034 0.0130 766 SER 75 HG -0.0255 0.0109 0.0147 767 VAL 76 N -0.0087 -0.0150 -0.0025 768 VAL 76 CA -0.0104 -0.0183 -0.0031 769 VAL 76 C -0.0113 -0.0152 -0.0057 770 VAL 76 O -0.0101 -0.0151 -0.0043 771 VAL 76 CB -0.0137 -0.0224 -0.0053 772 VAL 76 CG1 -0.0156 -0.0258 -0.0059 773 VAL 76 CG2 -0.0130 -0.0255 -0.0027 774 VAL 76 H -0.0097 -0.0154 -0.0037 775 VAL 76 HA -0.0086 -0.0200 0.0000 776 VAL 76 HB -0.0154 -0.0206 -0.0083 777 VAL 76 HG11 -0.0179 -0.0287 -0.0074 778 VAL 76 HG12 -0.0139 -0.0275 -0.0029 779 VAL 76 HG13 -0.0162 -0.0235 -0.0079 780 VAL 76 HG21 -0.0153 -0.0284 -0.0043 781 VAL 76 HG22 -0.0118 -0.0231 -0.0024 782 VAL 76 HG23 -0.0112 -0.0273 0.0004 783 GLU 77 N -0.0096 -0.0003 -0.0031 784 GLU 77 CA -0.0057 0.0009 -0.0042 785 GLU 77 C -0.0042 -0.0025 -0.0062 786 GLU 77 O -0.0028 -0.0052 -0.0079 787 GLU 77 CB -0.0026 0.0026 -0.0046 788 GLU 77 CG -0.0024 -0.0000 -0.0058 789 GLU 77 CD 0.0009 0.0017 -0.0063 790 GLU 77 OE1 0.0003 0.0046 -0.0049 791 GLU 77 OE2 0.0041 0.0003 -0.0082 792 GLU 77 H -0.0102 -0.0030 -0.0041 793 GLU 77 HA -0.0060 0.0032 -0.0030 794 GLU 77 HB2 0.0004 0.0030 -0.0056 795 GLU 77 HB3 -0.0032 0.0055 -0.0031 796 GLU 77 HG2 -0.0052 -0.0004 -0.0049 797 GLU 77 HG3 -0.0017 -0.0029 -0.0073 798 PRO 78 N -0.0018 0.0170 -0.0095 799 PRO 78 CA -0.0007 0.0118 -0.0091 800 PRO 78 C 0.0074 0.0150 -0.0156 801 PRO 78 O 0.0082 0.0244 -0.0181 802 PRO 78 CB -0.0090 0.0160 -0.0042 803 PRO 78 CG -0.0153 0.0206 -0.0007 804 PRO 78 CD -0.0098 0.0244 -0.0054 805 PRO 78 HA -0.0001 0.0033 -0.0077 806 PRO 78 HB2 -0.0074 0.0218 -0.0066 807 PRO 78 HB3 -0.0115 0.0096 -0.0011 808 PRO 78 HG2 -0.0196 0.0270 0.0009 809 PRO 78 HG3 -0.0190 0.0146 0.0032 810 PRO 78 HD2 -0.0084 0.0323 -0.0081 811 PRO 78 HD3 -0.0130 0.0240 -0.0031 812 TYR 79 N 0.0274 0.0098 -0.0104 813 TYR 79 CA 0.0253 0.0098 -0.0101 814 TYR 79 C 0.0290 0.0098 -0.0157 815 TYR 79 O 0.0266 0.0096 -0.0217 816 TYR 79 CB 0.0174 0.0096 -0.0102 817 TYR 79 CG 0.0137 0.0096 -0.0040 818 TYR 79 CD1 0.0114 0.0096 -0.0042 819 TYR 79 CD2 0.0127 0.0097 0.0020 820 TYR 79 CE1 0.0082 0.0096 0.0015 821 TYR 79 CE2 0.0094 0.0098 0.0077 822 TYR 79 CZ 0.0072 0.0097 0.0074 823 TYR 79 OH 0.0040 0.0097 0.0131 824 TYR 79 H 0.0303 0.0100 -0.0066 825 TYR 79 HA 0.0273 0.0099 -0.0052 826 TYR 79 HB2 0.0152 0.0095 -0.0149 827 TYR 79 HB3 0.0163 0.0096 -0.0102 828 TYR 79 HD1 0.0122 0.0095 -0.0088 829 TYR 79 HD2 0.0144 0.0098 0.0022 830 TYR 79 HE1 0.0065 0.0096 0.0013 831 TYR 79 HE2 0.0087 0.0098 0.0123 832 TYR 79 HH 0.0069 0.0099 0.0171 833 SER 80 N 0.0404 -0.0005 -0.0081 834 SER 80 CA 0.0389 -0.0002 -0.0062 835 SER 80 C 0.0438 -0.0005 -0.0112 836 SER 80 O 0.0491 0.0001 -0.0152 837 SER 80 CB 0.0316 -0.0049 -0.0060 838 SER 80 OG 0.0294 -0.0047 -0.0036 839 SER 80 H 0.0391 -0.0041 -0.0117 840 SER 80 HA 0.0392 0.0036 -0.0015 841 SER 80 HB2 0.0284 -0.0047 -0.0028 842 SER 80 HB3 0.0313 -0.0087 -0.0107 843 SER 80 HG 0.0282 -0.0020 0.0011 844 GLN 81 N 0.0526 0.0004 -0.0172 845 GLN 81 CA 0.0468 0.0007 -0.0168 846 GLN 81 C 0.0456 0.0066 -0.0146 847 GLN 81 O 0.0496 0.0096 -0.0137 848 GLN 81 CB 0.0461 -0.0030 -0.0181 849 GLN 81 CG 0.0399 -0.0035 -0.0180 850 GLN 81 CD 0.0390 -0.0066 -0.0191 851 GLN 81 OE1 0.0427 -0.0067 -0.0193 852 GLN 81 NE2 0.0341 -0.0093 -0.0198 853 GLN 81 H 0.0558 -0.0013 -0.0179 854 GLN 81 HA 0.0439 -0.0006 -0.0171 855 GLN 81 HB2 0.0476 -0.0070 -0.0196 856 GLN 81 HB3 0.0486 -0.0013 -0.0176 857 GLN 81 HG2 0.0383 0.0006 -0.0164 858 GLN 81 HG3 0.0374 -0.0054 -0.0185 859 GLN 81 HE21 0.0313 -0.0090 -0.0196 860 GLN 81 HE22 0.0333 -0.0114 -0.0205 861 GLU 82 N 0.0458 0.0024 -0.0069 862 GLU 82 CA 0.0470 0.0017 0.0027 863 GLU 82 C 0.0378 0.0058 0.0137 864 GLU 82 O 0.0368 0.0061 0.0226 865 GLU 82 CB 0.0599 -0.0043 0.0077 866 GLU 82 CG 0.0622 -0.0055 0.0173 867 GLU 82 CD 0.0750 -0.0115 0.0209 868 GLU 82 OE1 0.0791 -0.0135 0.0287 869 GLU 82 OE2 0.0813 -0.0143 0.0160 870 GLU 82 H 0.0415 0.0045 -0.0148 871 GLU 82 HA 0.0446 0.0029 -0.0024 872 GLU 82 HB2 0.0656 -0.0069 -0.0006 873 GLU 82 HB3 0.0623 -0.0055 0.0121 874 GLU 82 HG2 0.0571 -0.0033 0.0260 875 GLU 82 HG3 0.0596 -0.0043 0.0130 876 GLU 83 N 0.0367 0.0141 0.0106 877 GLU 83 CA 0.0202 0.0176 0.0243 878 GLU 83 C -0.0053 0.0136 0.0097 879 GLU 83 O -0.0265 0.0160 0.0189 880 GLU 83 CB 0.0350 0.0191 0.0297 881 GLU 83 CG 0.0194 0.0229 0.0441 882 GLU 83 CD 0.0360 0.0249 0.0513 883 GLU 83 OE1 0.0418 0.0206 0.0352 884 GLU 83 OE2 0.0436 0.0309 0.0737 885 GLU 83 H 0.0409 0.0093 -0.0073 886 GLU 83 HA 0.0151 0.0223 0.0421 887 GLU 83 HB2 0.0523 0.0221 0.0407 888 GLU 83 HB3 0.0412 0.0144 0.0119 889 GLU 83 HG2 0.0034 0.0197 0.0323 890 GLU 83 HG3 0.0116 0.0274 0.0611 891 ALA 84 N 0.0056 0.0130 0.0061 892 ALA 84 CA -0.0225 0.0079 -0.0133 893 ALA 84 C -0.0291 -0.0009 -0.0383 894 ALA 84 O -0.0449 -0.0085 -0.0621 895 ALA 84 CB -0.0164 0.0025 -0.0265 896 ALA 84 H 0.0276 0.0087 -0.0012 897 ALA 84 HA -0.0433 0.0146 0.0012 898 ALA 84 HB1 -0.0370 -0.0013 -0.0410 899 ALA 84 HB2 0.0054 -0.0039 -0.0399 900 ALA 84 HB3 -0.0141 0.0092 -0.0080 901 GLU 85 N -0.0062 0.0020 -0.0225 902 GLU 85 CA -0.0102 -0.0030 -0.0315 903 GLU 85 C -0.0051 0.0035 -0.0198 904 GLU 85 O 0.0113 0.0042 -0.0182 905 GLU 85 CB 0.0017 -0.0119 -0.0473 906 GLU 85 CG -0.0040 -0.0188 -0.0596 907 GLU 85 CD 0.0011 -0.0163 -0.0550 908 GLU 85 OE1 0.0173 -0.0185 -0.0586 909 GLU 85 OE2 -0.0107 -0.0121 -0.0478 910 GLU 85 H -0.0001 0.0079 -0.0119 911 GLU 85 HA -0.0251 -0.0045 -0.0345 912 GLU 85 HB2 0.0008 -0.0153 -0.0532 913 GLU 85 HB3 0.0163 -0.0101 -0.0438 914 GLU 85 HG2 -0.0191 -0.0180 -0.0586 915 GLU 85 HG3 0.0010 -0.0256 -0.0716 916 ARG 86 N -0.0368 0.0128 0.0115 917 ARG 86 CA -0.0519 0.0273 0.0044 918 ARG 86 C -0.0594 0.0255 0.0251 919 ARG 86 O -0.0472 0.0106 0.0395 920 ARG 86 CB -0.0425 0.0304 -0.0239 921 ARG 86 CG -0.0178 0.0130 -0.0298 922 ARG 86 CD -0.0126 0.0025 -0.0126 923 ARG 86 NE 0.0113 -0.0145 -0.0176 924 ARG 86 CZ 0.0217 -0.0284 -0.0025 925 ARG 86 NH1 0.0103 -0.0271 0.0185 926 ARG 86 NH2 0.0436 -0.0434 -0.0087 927 ARG 86 H -0.0230 0.0001 0.0161 928 ARG 86 HA -0.0666 0.0394 0.0032 929 ARG 86 HB2 -0.0521 0.0389 -0.0264 930 ARG 86 HB3 -0.0447 0.0375 -0.0384 931 ARG 86 HG2 -0.0131 0.0169 -0.0503 932 ARG 86 HG3 -0.0080 0.0042 -0.0271 933 ARG 86 HD2 -0.0186 -0.0004 0.0081 934 ARG 86 HD3 -0.0210 0.0108 -0.0171 935 ARG 86 HE 0.0201 -0.0156 -0.0335 936 ARG 86 HH11 -0.0063 -0.0161 0.0241 937 ARG 86 HH12 0.0178 -0.0373 0.0299 938 ARG 86 HH21 0.0528 -0.0448 -0.0245 939 ARG 86 HH22 0.0521 -0.0541 0.0021 940 ALA 87 N -0.0275 0.0155 -0.0080 941 ALA 87 CA -0.0279 0.0155 -0.0076 942 ALA 87 C -0.0302 0.0167 0.0024 943 ALA 87 O -0.0267 0.0173 0.0061 944 ALA 87 CB -0.0185 0.0155 -0.0106 945 ALA 87 H -0.0218 0.0160 -0.0056 946 ALA 87 HA -0.0333 0.0147 -0.0123 947 ALA 87 HB1 -0.0131 0.0163 -0.0060 948 ALA 87 HB2 -0.0170 0.0147 -0.0177 949 ALA 87 HB3 -0.0187 0.0156 -0.0101 950 ALA 88 N 0.0150 -0.0050 -0.0429 951 ALA 88 CA 0.0073 -0.0231 0.0001 952 ALA 88 C -0.0404 0.0004 -0.0007 953 ALA 88 O -0.0848 0.0095 0.0238 954 ALA 88 CB 0.0021 -0.0465 0.0513 955 ALA 88 H -0.0154 0.0130 -0.0495 956 ALA 88 HA 0.0414 -0.0373 -0.0044 957 ALA 88 HB1 -0.0321 -0.0326 0.0565 958 ALA 88 HB2 0.0368 -0.0631 0.0508 959 ALA 88 HB3 -0.0024 -0.0603 0.0828 960 GLY 89 N 0.0263 -0.0076 -0.0306 961 GLY 89 CA 0.0127 -0.0004 -0.0323 962 GLY 89 C 0.0165 0.0002 -0.0411 963 GLY 89 O 0.0252 -0.0057 -0.0356 964 GLY 89 H 0.0359 -0.0105 -0.0376 965 GLY 89 HA2 0.0069 -0.0008 -0.0201 966 GLY 89 HA3 0.0053 0.0052 -0.0392 967 MET 90 N 0.0004 -0.0142 -0.0076 968 MET 90 CA 0.0054 -0.0135 -0.0070 969 MET 90 C 0.0129 -0.0156 -0.0175 970 MET 90 O 0.0086 -0.0187 -0.0263 971 MET 90 CB -0.0042 -0.0140 -0.0049 972 MET 90 CG 0.0000 -0.0126 -0.0018 973 MET 90 SD 0.0091 -0.0146 -0.0125 974 MET 90 CE 0.0109 -0.0126 -0.0061 975 MET 90 H 0.0027 -0.0123 -0.0018 976 MET 90 HA 0.0111 -0.0108 0.0000 977 MET 90 HB2 -0.0099 -0.0127 0.0019 978 MET 90 HB3 -0.0092 -0.0168 -0.0124 979 MET 90 HG2 0.0050 -0.0099 0.0057 980 MET 90 HG3 -0.0075 -0.0130 0.0000 981 MET 90 HE1 0.0152 -0.0098 0.0017 982 MET 90 HE2 0.0162 -0.0136 -0.0117 983 MET 90 HE3 0.0026 -0.0132 -0.0047 984 GLY 91 N -0.0319 -0.0027 -0.0093 985 GLY 91 CA -0.0244 -0.0003 -0.0207 986 GLY 91 C -0.0188 -0.0037 -0.0117 987 GLY 91 O -0.0037 -0.0062 -0.0105 988 GLY 91 H -0.0252 -0.0063 -0.0003 989 GLY 91 HA2 -0.0335 0.0036 -0.0296 990 GLY 91 HA3 -0.0134 0.0000 -0.0268 991 SER 92 N -0.0035 -0.0035 0.0037 992 SER 92 CA -0.0063 -0.0081 0.0092 993 SER 92 C -0.0068 -0.0062 0.0198 994 SER 92 O -0.0040 0.0012 0.0234 995 SER 92 CB -0.0048 -0.0056 0.0065 996 SER 92 OG -0.0043 -0.0073 -0.0035 997 SER 92 H -0.0007 0.0029 0.0042 998 SER 92 HA -0.0092 -0.0150 0.0075 999 SER 92 HB2 -0.0019 0.0013 0.0081 1000 SER 92 HB3 -0.0069 -0.0093 0.0103 1001 SER 92 HG -0.0045 -0.0086 -0.0061 1002 TYR 93 N -0.0155 0.0137 0.0189 1003 TYR 93 CA -0.0108 0.0106 0.0183 1004 TYR 93 C -0.0023 0.0110 0.0271 1005 TYR 93 O 0.0007 0.0120 0.0316 1006 TYR 93 CB -0.0073 0.0031 0.0090 1007 TYR 93 CG -0.0035 -0.0005 0.0067 1008 TYR 93 CD1 -0.0096 -0.0001 0.0014 1009 TYR 93 CD2 0.0062 -0.0043 0.0098 1010 TYR 93 CE1 -0.0063 -0.0033 -0.0007 1011 TYR 93 CE2 0.0096 -0.0075 0.0076 1012 TYR 93 CZ 0.0033 -0.0070 0.0024 1013 TYR 93 OH 0.0067 -0.0102 0.0003 1014 TYR 93 H -0.0119 0.0113 0.0183 1015 TYR 93 HA -0.0158 0.0135 0.0182 1016 TYR 93 HB2 -0.0132 0.0029 0.0031 1017 TYR 93 HB3 -0.0016 0.0002 0.0097 1018 TYR 93 HD1 -0.0172 0.0028 -0.0011 1019 TYR 93 HD2 0.0111 -0.0047 0.0139 1020 TYR 93 HE1 -0.0112 -0.0029 -0.0049 1021 TYR 93 HE2 0.0172 -0.0104 0.0101 1022 TYR 93 HH 0.0106 -0.0090 0.0062 1023 VAL 94 N 0.0690 0.0246 -0.0172 1024 VAL 94 CA 0.0396 0.0026 -0.0131 1025 VAL 94 C 0.0372 -0.0036 -0.0133 1026 VAL 94 O 0.0302 0.0209 -0.0079 1027 VAL 94 CB 0.0057 0.0156 -0.0025 1028 VAL 94 CG1 -0.0016 0.0522 0.0048 1029 VAL 94 CG2 -0.0240 -0.0091 0.0013 1030 VAL 94 H 0.0654 0.0467 -0.0130 1031 VAL 94 HA 0.0447 -0.0222 -0.0180 1032 VAL 94 HB 0.0085 0.0158 -0.0032 1033 VAL 94 HG11 -0.0251 0.0598 0.0119 1034 VAL 94 HG12 -0.0036 0.0532 0.0055 1035 VAL 94 HG13 0.0187 0.0695 0.0022 1036 VAL 94 HG21 -0.0265 -0.0109 0.0017 1037 VAL 94 HG22 -0.0469 0.0003 0.0086 1038 VAL 94 HG23 -0.0194 -0.0344 -0.0036