1 ASP 28 N 0.0233 -0.0210 0.0050 2 ASP 28 CA -0.0086 -0.0177 0.0287 3 ASP 28 C 0.0521 -0.0234 0.0397 4 ASP 28 O 0.1005 -0.0285 -0.0084 5 ASP 28 CB -0.0641 -0.0129 -0.0289 6 ASP 28 CG -0.1002 -0.0092 -0.0081 7 ASP 28 OD1 -0.1422 -0.0047 0.0467 8 ASP 28 OD2 -0.0904 -0.0105 -0.0480 9 ASP 28 H -0.0172 -0.0171 -0.0040 10 ASP 28 HA -0.0365 -0.0145 0.0806 11 ASP 28 HB2 -0.1071 -0.0088 -0.0357 12 ASP 28 HB3 -0.0359 -0.0160 -0.0810 13 PRO 29 N 0.0338 0.0536 0.0302 14 PRO 29 CA -0.0356 0.0436 0.0276 15 PRO 29 C -0.0722 0.0844 0.0646 16 PRO 29 O -0.0572 0.1001 0.0764 17 PRO 29 CB -0.0482 -0.0049 -0.0117 18 PRO 29 CG 0.0154 -0.0273 -0.0355 19 PRO 29 CD 0.0649 0.0150 -0.0045 20 PRO 29 HA -0.0505 0.0388 0.0249 21 PRO 29 HB2 -0.0684 0.0038 -0.0028 22 PRO 29 HB3 -0.0825 -0.0287 -0.0287 23 PRO 29 HG2 0.0178 -0.0477 -0.0528 24 PRO 29 HG3 0.0223 -0.0515 -0.0563 25 PRO 29 HD2 0.0757 0.0273 0.0049 26 PRO 29 HD3 0.1077 0.0035 -0.0175 27 ASN 30 N 0.0511 -0.0137 -0.0290 28 ASN 30 CA 0.0678 -0.0258 -0.0668 29 ASN 30 C -0.0004 0.0103 -0.1763 30 ASN 30 O -0.0818 0.0607 -0.1643 31 ASN 30 CB 0.0566 -0.0135 0.0403 32 ASN 30 CG 0.0704 -0.0234 0.0109 33 ASN 30 OD1 0.1557 -0.0753 0.0168 34 ASN 30 ND2 -0.0121 0.0255 -0.0172 35 ASN 30 H 0.1112 -0.0499 -0.0183 36 ASN 30 HA 0.1465 -0.0754 -0.0953 37 ASN 30 HB2 0.1139 -0.0451 0.1084 38 ASN 30 HB3 -0.0190 0.0344 0.0727 39 ASN 30 HD21 -0.0790 0.0664 -0.0181 40 ASN 30 HD22 -0.0047 0.0200 -0.0374 41 ALA 31 N -0.0014 0.0184 -0.0552 42 ALA 31 CA -0.0004 -0.0200 -0.0309 43 ALA 31 C -0.0052 0.0235 0.0185 44 ALA 31 O -0.0083 0.0253 0.0814 45 ALA 31 CB 0.0017 -0.0882 0.0044 46 ALA 31 H -0.0050 0.0615 -0.0311 47 ALA 31 HA 0.0024 -0.0323 -0.0758 48 ALA 31 HB1 0.0026 -0.1165 0.0197 49 ALA 31 HB2 -0.0010 -0.0769 0.0497 50 ALA 31 HB3 0.0052 -0.1192 -0.0311 51 GLU 32 N 0.0109 0.0805 0.0037 52 GLU 32 CA -0.0157 0.0536 0.0101 53 GLU 32 C -0.0032 0.0514 0.0284 54 GLU 32 O -0.0219 0.0344 0.0302 55 GLU 32 CB -0.0284 0.0270 0.0329 56 GLU 32 CG -0.0030 0.0229 0.0694 57 GLU 32 CD -0.0177 -0.0045 0.0910 58 GLU 32 OE1 -0.0306 -0.0286 0.1099 59 GLU 32 OE2 -0.0170 -0.0027 0.0892 60 GLU 32 H 0.0226 0.0784 0.0206 61 GLU 32 HA -0.0349 0.0553 -0.0155 62 GLU 32 HB2 -0.0484 0.0076 0.0366 63 GLU 32 HB3 -0.0371 0.0296 0.0187 64 GLU 32 HG2 0.0169 0.0419 0.0662 65 GLU 32 HG3 0.0065 0.0212 0.0833 66 PHE 33 N -0.0123 -0.0073 0.0224 67 PHE 33 CA -0.0123 -0.0113 0.0231 68 PHE 33 C -0.0140 -0.0099 0.0231 69 PHE 33 O -0.0146 -0.0058 0.0225 70 PHE 33 CB -0.0073 -0.0132 0.0227 71 PHE 33 CG -0.0038 -0.0097 0.0216 72 PHE 33 CD1 -0.0030 -0.0086 0.0213 73 PHE 33 CD2 -0.0013 -0.0074 0.0208 74 PHE 33 CE1 0.0001 -0.0054 0.0203 75 PHE 33 CE2 0.0019 -0.0041 0.0198 76 PHE 33 CZ 0.0025 -0.0031 0.0196 77 PHE 33 H -0.0100 -0.0049 0.0217 78 PHE 33 HA -0.0144 -0.0139 0.0238 79 PHE 33 HB2 -0.0071 -0.0159 0.0231 80 PHE 33 HB3 -0.0062 -0.0146 0.0228 81 PHE 33 HD1 -0.0050 -0.0104 0.0219 82 PHE 33 HD2 -0.0018 -0.0081 0.0210 83 PHE 33 HE1 0.0006 -0.0046 0.0201 84 PHE 33 HE2 0.0038 -0.0023 0.0193 85 PHE 33 HZ 0.0050 -0.0005 0.0188 86 ASP 34 N -0.0064 0.0074 -0.0007 87 ASP 34 CA -0.0035 0.0099 -0.0029 88 ASP 34 C -0.0019 0.0125 -0.0003 89 ASP 34 O -0.0023 0.0133 0.0033 90 ASP 34 CB -0.0021 0.0111 -0.0039 91 ASP 34 CG 0.0008 0.0134 -0.0066 92 ASP 34 OD1 0.0028 0.0160 -0.0052 93 ASP 34 OD2 0.0012 0.0126 -0.0102 94 ASP 34 H -0.0068 0.0077 0.0015 95 ASP 34 HA -0.0035 0.0090 -0.0056 96 ASP 34 HB2 -0.0034 0.0092 -0.0054 97 ASP 34 HB3 -0.0019 0.0122 -0.0012 98 PRO 35 N -0.0049 -0.0010 0.0021 99 PRO 35 CA 0.0009 0.0067 0.0093 100 PRO 35 C 0.0012 0.0129 0.0072 101 PRO 35 O 0.0058 0.0199 0.0127 102 PRO 35 CB 0.0024 0.0149 0.0085 103 PRO 35 CG -0.0035 0.0157 -0.0023 104 PRO 35 CD -0.0079 0.0042 -0.0055 105 PRO 35 HA 0.0041 0.0025 0.0168 106 PRO 35 HB2 0.0055 0.0228 0.0107 107 PRO 35 HB3 0.0043 0.0116 0.0133 108 PRO 35 HG2 -0.0044 0.0218 -0.0066 109 PRO 35 HG3 -0.0034 0.0181 -0.0032 110 PRO 35 HD2 -0.0119 0.0048 -0.0129 111 PRO 35 HD3 -0.0089 -0.0004 -0.0053 112 ASP 36 N -0.0095 -0.0212 -0.0089 113 ASP 36 CA 0.0002 -0.0145 -0.0053 114 ASP 36 C -0.0011 0.0202 -0.0068 115 ASP 36 O -0.0071 0.0306 -0.0095 116 ASP 36 CB 0.0314 -0.0263 0.0072 117 ASP 36 CG 0.0432 -0.0189 0.0116 118 ASP 36 OD1 0.0338 -0.0342 0.0084 119 ASP 36 OD2 0.0625 0.0027 0.0186 120 ASP 36 H 0.0041 -0.0168 -0.0037 121 ASP 36 HA -0.0145 -0.0267 -0.0107 122 ASP 36 HB2 0.0312 -0.0515 0.0079 123 ASP 36 HB3 0.0459 -0.0156 0.0126 124 LEU 37 N 0.0075 0.0103 -0.0100 125 LEU 37 CA 0.0067 0.0110 -0.0072 126 LEU 37 C 0.0046 0.0110 -0.0046 127 LEU 37 O 0.0025 0.0096 -0.0051 128 LEU 37 CB 0.0054 0.0099 -0.0080 129 LEU 37 CG 0.0075 0.0103 -0.0098 130 LEU 37 CD1 0.0099 0.0125 -0.0081 131 LEU 37 CD2 0.0088 0.0096 -0.0132 132 LEU 37 H 0.0063 0.0088 -0.0116 133 LEU 37 HA 0.0088 0.0126 -0.0065 134 LEU 37 HB2 0.0037 0.0083 -0.0093 135 LEU 37 HB3 0.0042 0.0103 -0.0058 136 LEU 37 HG 0.0062 0.0095 -0.0099 137 LEU 37 HD11 0.0113 0.0127 -0.0095 138 LEU 37 HD12 0.0112 0.0134 -0.0079 139 LEU 37 HD13 0.0089 0.0130 -0.0058 140 LEU 37 HD21 0.0103 0.0099 -0.0144 141 LEU 37 HD22 0.0071 0.0080 -0.0144 142 LEU 37 HD23 0.0101 0.0103 -0.0131 143 PRO 38 N 0.0137 -0.0037 -0.0152 144 PRO 38 CA 0.0139 -0.0041 -0.0142 145 PRO 38 C 0.0052 -0.0013 -0.0131 146 PRO 38 O -0.0002 -0.0008 -0.0081 147 PRO 38 CB 0.0182 -0.0079 -0.0061 148 PRO 38 CG 0.0229 -0.0099 -0.0051 149 PRO 38 CD 0.0180 -0.0071 -0.0086 150 PRO 38 HA 0.0174 -0.0038 -0.0195 151 PRO 38 HB2 0.0136 -0.0078 -0.0009 152 PRO 38 HB3 0.0223 -0.0092 -0.0068 153 PRO 38 HG2 0.0235 -0.0120 0.0015 154 PRO 38 HG3 0.0289 -0.0111 -0.0085 155 PRO 38 HD2 0.0136 -0.0069 -0.0039 156 PRO 38 HD3 0.0220 -0.0078 -0.0114 157 GLY 39 N -0.0012 -0.0017 -0.0104 158 GLY 39 CA -0.0054 0.0006 -0.0103 159 GLY 39 C -0.0081 0.0024 -0.0120 160 GLY 39 O -0.0118 0.0043 -0.0108 161 GLY 39 H 0.0008 -0.0024 -0.0129 162 GLY 39 HA2 -0.0055 0.0011 -0.0124 163 GLY 39 HA3 -0.0064 0.0006 -0.0068 164 GLY 40 N -0.0071 0.0043 -0.0044 165 GLY 40 CA -0.0077 0.0052 -0.0044 166 GLY 40 C -0.0083 0.0054 -0.0026 167 GLY 40 O -0.0090 0.0062 -0.0024 168 GLY 40 H -0.0063 0.0033 -0.0047 169 GLY 40 HA2 -0.0072 0.0047 -0.0050 170 GLY 40 HA3 -0.0083 0.0062 -0.0051 171 GLY 41 N -0.0066 0.0036 -0.0068 172 GLY 41 CA -0.0083 0.0032 -0.0056 173 GLY 41 C -0.0110 0.0029 -0.0047 174 GLY 41 O -0.0129 0.0026 -0.0039 175 GLY 41 H -0.0050 0.0032 -0.0060 176 GLY 41 HA2 -0.0072 0.0024 -0.0041 177 GLY 41 HA3 -0.0087 0.0038 -0.0069 178 LEU 42 N -0.0215 0.0058 -0.0021 179 LEU 42 CA -0.0174 0.0078 -0.0032 180 LEU 42 C -0.0159 0.0040 -0.0077 181 LEU 42 O -0.0130 0.0050 -0.0089 182 LEU 42 CB -0.0126 0.0116 -0.0032 183 LEU 42 CG -0.0133 0.0157 0.0011 184 LEU 42 CD1 -0.0082 0.0191 0.0005 185 LEU 42 CD2 -0.0154 0.0185 0.0052 186 LEU 42 H -0.0203 0.0055 -0.0033 187 LEU 42 HA -0.0188 0.0097 -0.0005 188 LEU 42 HB2 -0.0112 0.0097 -0.0060 189 LEU 42 HB3 -0.0096 0.0130 -0.0041 190 LEU 42 HG -0.0162 0.0143 0.0019 191 LEU 42 HD11 -0.0088 0.0220 0.0036 192 LEU 42 HD12 -0.0052 0.0204 -0.0004 193 LEU 42 HD13 -0.0069 0.0171 -0.0022 194 LEU 42 HD21 -0.0126 0.0199 0.0045 195 LEU 42 HD22 -0.0158 0.0215 0.0082 196 LEU 42 HD23 -0.0192 0.0162 0.0057 197 HIS 43 N -0.0145 0.0039 -0.0009 198 HIS 43 CA -0.0144 0.0026 0.0013 199 HIS 43 C -0.0135 -0.0001 0.0046 200 HIS 43 O -0.0108 -0.0025 0.0042 201 HIS 43 CB -0.0120 0.0016 -0.0010 202 HIS 43 CG -0.0125 0.0039 -0.0047 203 HIS 43 ND1 -0.0145 0.0060 -0.0049 204 HIS 43 CD2 -0.0111 0.0045 -0.0083 205 HIS 43 CE1 -0.0143 0.0078 -0.0085 206 HIS 43 NE2 -0.0123 0.0069 -0.0105 207 HIS 43 H -0.0127 0.0026 -0.0017 208 HIS 43 HA -0.0166 0.0042 0.0024 209 HIS 43 HB2 -0.0097 -0.0004 -0.0016 210 HIS 43 HB3 -0.0123 0.0009 0.0007 211 HIS 43 HD1 -0.0159 0.0063 -0.0028 212 HIS 43 HD2 -0.0093 0.0033 -0.0092 213 HIS 43 HE1 -0.0156 0.0096 -0.0094 214 HIS 43 HE2 -0.0120 0.0081 -0.0132 215 ARG 44 N -0.0091 -0.0039 -0.0047 216 ARG 44 CA -0.0082 -0.0049 -0.0027 217 ARG 44 C -0.0095 -0.0056 0.0001 218 ARG 44 O -0.0118 -0.0051 0.0005 219 ARG 44 CB -0.0094 -0.0043 -0.0034 220 ARG 44 CG -0.0091 -0.0033 -0.0063 221 ARG 44 CD -0.0106 -0.0028 -0.0066 222 ARG 44 NE -0.0106 -0.0017 -0.0095 223 ARG 44 CZ -0.0115 -0.0012 -0.0102 224 ARG 44 NH1 -0.0126 -0.0016 -0.0083 225 ARG 44 NH2 -0.0114 -0.0003 -0.0128 226 ARG 44 H -0.0111 -0.0034 -0.0047 227 ARG 44 HA -0.0060 -0.0055 -0.0029 228 ARG 44 HB2 -0.0116 -0.0040 -0.0026 229 ARG 44 HB3 -0.0083 -0.0051 -0.0022 230 ARG 44 HG2 -0.0069 -0.0037 -0.0070 231 ARG 44 HG3 -0.0100 -0.0026 -0.0075 232 ARG 44 HD2 -0.0128 -0.0025 -0.0058 233 ARG 44 HD3 -0.0096 -0.0035 -0.0055 234 ARG 44 HE -0.0098 -0.0014 -0.0109 235 ARG 44 HH11 -0.0128 -0.0023 -0.0063 236 ARG 44 HH12 -0.0134 -0.0012 -0.0088 237 ARG 44 HH21 -0.0105 0.0001 -0.0144 238 ARG 44 HH22 -0.0120 0.0002 -0.0134 239 CYS 45 N -0.0024 -0.0027 -0.0038 240 CYS 45 CA -0.0005 0.0014 -0.0033 241 CYS 45 C 0.0040 0.0006 -0.0024 242 CYS 45 O 0.0054 -0.0007 -0.0021 243 CYS 45 CB -0.0021 0.0047 -0.0036 244 CYS 45 SG 0.0008 0.0098 -0.0029 245 CYS 45 H -0.0029 -0.0041 -0.0039 246 CYS 45 HA -0.0011 0.0025 -0.0034 247 CYS 45 HB2 -0.0053 0.0054 -0.0042 248 CYS 45 HB3 -0.0022 0.0033 -0.0036 249 LEU 46 N 0.0034 0.0078 -0.0081 250 LEU 46 CA 0.0144 0.0051 -0.0029 251 LEU 46 C 0.0232 0.0091 0.0047 252 LEU 46 O 0.0331 0.0030 0.0073 253 LEU 46 CB 0.0131 0.0105 -0.0007 254 LEU 46 CG 0.0050 0.0063 -0.0079 255 LEU 46 CD1 0.0036 0.0129 -0.0052 256 LEU 46 CD2 0.0089 -0.0067 -0.0127 257 LEU 46 H -0.0029 0.0136 -0.0088 258 LEU 46 HA 0.0171 -0.0043 -0.0064 259 LEU 46 HB2 0.0102 0.0198 0.0026 260 LEU 46 HB3 0.0213 0.0085 0.0032 261 LEU 46 HG -0.0031 0.0081 -0.0119 262 LEU 46 HD11 -0.0000 0.0221 -0.0023 263 LEU 46 HD12 -0.0019 0.0096 -0.0103 264 LEU 46 HD13 0.0118 0.0118 -0.0008 265 LEU 46 HD21 0.0091 -0.0114 -0.0152 266 LEU 46 HD22 0.0173 -0.0088 -0.0087 267 LEU 46 HD23 0.0031 -0.0093 -0.0176 268 ALA 47 N 0.0175 0.0027 -0.0175 269 ALA 47 CA 0.0222 0.0089 -0.0150 270 ALA 47 C 0.0264 0.0125 -0.0146 271 ALA 47 O 0.0317 0.0172 -0.0140 272 ALA 47 CB 0.0182 0.0123 -0.0090 273 ALA 47 H 0.0125 0.0015 -0.0150 274 ALA 47 HA 0.0257 0.0084 -0.0180 275 ALA 47 HB1 0.0218 0.0168 -0.0073 276 ALA 47 HB2 0.0147 0.0129 -0.0060 277 ALA 47 HB3 0.0153 0.0097 -0.0093 278 CYS 48 N 0.0258 0.0102 -0.0016 279 CYS 48 CA 0.0234 0.0061 -0.0023 280 CYS 48 C 0.0257 -0.0059 -0.0018 281 CYS 48 O 0.0257 -0.0099 -0.0019 282 CYS 48 CB 0.0121 0.0091 -0.0051 283 CYS 48 SG 0.0104 0.0229 -0.0054 284 CYS 48 H 0.0220 0.0077 -0.0026 285 CYS 48 HA 0.0287 0.0102 -0.0009 286 CYS 48 HB2 0.0056 0.0072 -0.0067 287 CYS 48 HB3 0.0107 0.0060 -0.0055 288 ALA 49 N 0.0212 -0.0066 0.0090 289 ALA 49 CA 0.0225 -0.0202 0.0144 290 ALA 49 C 0.0120 -0.0316 0.0057 291 ALA 49 O 0.0116 -0.0453 0.0091 292 ALA 49 CB 0.0309 -0.0277 0.0259 293 ALA 49 H 0.0233 0.0033 0.0085 294 ALA 49 HA 0.0252 -0.0163 0.0163 295 ALA 49 HB1 0.0283 -0.0315 0.0241 296 ALA 49 HB2 0.0382 -0.0195 0.0318 297 ALA 49 HB3 0.0320 -0.0373 0.0299 298 ARG 50 N 0.0173 -0.0165 0.0086 299 ARG 50 CA 0.0069 -0.0246 0.0010 300 ARG 50 C -0.0024 -0.0261 -0.0053 301 ARG 50 O -0.0046 -0.0158 -0.0058 302 ARG 50 CB 0.0006 -0.0172 -0.0025 303 ARG 50 CG 0.0090 -0.0164 0.0032 304 ARG 50 CD 0.0021 -0.0090 -0.0007 305 ARG 50 NE 0.0101 -0.0076 0.0048 306 ARG 50 CZ 0.0066 -0.0005 0.0031 307 ARG 50 NH1 -0.0049 0.0055 -0.0039 308 ARG 50 NH2 0.0147 0.0004 0.0085 309 ARG 50 H 0.0162 -0.0057 0.0090 310 ARG 50 HA 0.0105 -0.0357 0.0023 311 ARG 50 HB2 -0.0028 -0.0060 -0.0036 312 ARG 50 HB3 -0.0074 -0.0236 -0.0084 313 ARG 50 HG2 0.0122 -0.0275 0.0042 314 ARG 50 HG3 0.0170 -0.0100 0.0091 315 ARG 50 HD2 -0.0014 0.0021 -0.0019 316 ARG 50 HD3 -0.0058 -0.0155 -0.0065 317 ARG 50 HE 0.0186 -0.0124 0.0099 318 ARG 50 HH11 -0.0113 0.0049 -0.0082 319 ARG 50 HH12 -0.0080 0.0108 -0.0054 320 ARG 50 HH21 0.0235 -0.0041 0.0139 321 ARG 50 HH22 0.0123 0.0059 0.0075 322 TYR 51 N 0.0053 -0.0102 0.0068 323 TYR 51 CA 0.0020 -0.0098 0.0020 324 TYR 51 C 0.0028 -0.0101 0.0019 325 TYR 51 O 0.0079 -0.0114 0.0021 326 TYR 51 CB 0.0042 -0.0110 -0.0037 327 TYR 51 CG 0.0040 -0.0110 -0.0038 328 TYR 51 CD1 0.0087 -0.0120 -0.0017 329 TYR 51 CD2 -0.0010 -0.0099 -0.0060 330 TYR 51 CE1 0.0085 -0.0120 -0.0017 331 TYR 51 CE2 -0.0011 -0.0099 -0.0060 332 TYR 51 CZ 0.0036 -0.0109 -0.0039 333 TYR 51 OH 0.0035 -0.0109 -0.0039 334 TYR 51 H 0.0095 -0.0114 0.0061 335 TYR 51 HA -0.0026 -0.0086 0.0025 336 TYR 51 HB2 0.0087 -0.0123 -0.0043 337 TYR 51 HB3 0.0015 -0.0107 -0.0074 338 TYR 51 HD1 0.0126 -0.0128 0.0000 339 TYR 51 HD2 -0.0047 -0.0091 -0.0076 340 TYR 51 HE1 0.0123 -0.0128 -0.0000 341 TYR 51 HE2 -0.0050 -0.0090 -0.0077 342 TYR 51 HH 0.0073 -0.0120 -0.0053 343 PHE 52 N -0.0074 -0.0039 0.0036 344 PHE 52 CA -0.0076 -0.0037 0.0046 345 PHE 52 C -0.0075 -0.0041 0.0058 346 PHE 52 O -0.0071 -0.0050 0.0058 347 PHE 52 CB -0.0073 -0.0042 0.0044 348 PHE 52 CG -0.0074 -0.0038 0.0032 349 PHE 52 CD1 -0.0071 -0.0042 0.0021 350 PHE 52 CD2 -0.0078 -0.0030 0.0032 351 PHE 52 CE1 -0.0071 -0.0039 0.0011 352 PHE 52 CE2 -0.0078 -0.0026 0.0022 353 PHE 52 CZ -0.0075 -0.0031 0.0011 354 PHE 52 H -0.0070 -0.0046 0.0034 355 PHE 52 HA -0.0081 -0.0028 0.0046 356 PHE 52 HB2 -0.0069 -0.0051 0.0044 357 PHE 52 HB3 -0.0075 -0.0041 0.0051 358 PHE 52 HD1 -0.0067 -0.0049 0.0021 359 PHE 52 HD2 -0.0081 -0.0027 0.0041 360 PHE 52 HE1 -0.0068 -0.0042 0.0002 361 PHE 52 HE2 -0.0082 -0.0020 0.0022 362 PHE 52 HZ -0.0075 -0.0028 0.0002 363 ILE 53 N -0.0012 0.0005 0.0044 364 ILE 53 CA -0.0035 -0.0010 -0.0001 365 ILE 53 C -0.0102 -0.0010 0.0000 366 ILE 53 O -0.0129 -0.0025 -0.0044 367 ILE 53 CB -0.0008 -0.0010 -0.0000 368 ILE 53 CG1 -0.0019 0.0009 0.0056 369 ILE 53 CG2 0.0058 -0.0014 -0.0014 370 ILE 53 CD1 0.0004 0.0011 0.0060 371 ILE 53 H 0.0014 0.0014 0.0070 372 ILE 53 HA -0.0022 -0.0023 -0.0039 373 ILE 53 HB -0.0029 -0.0021 -0.0032 374 ILE 53 HG12 0.0001 0.0021 0.0089 375 ILE 53 HG13 -0.0066 0.0012 0.0063 376 ILE 53 HG21 0.0080 -0.0003 0.0016 377 ILE 53 HG22 0.0064 -0.0028 -0.0055 378 ILE 53 HG23 0.0076 -0.0013 -0.0012 379 ILE 53 HD11 -0.0017 0.0000 0.0029 380 ILE 53 HD12 -0.0005 0.0025 0.0101 381 ILE 53 HD13 0.0051 0.0009 0.0053 382 ASP 54 N -0.0089 0.0046 0.0088 383 ASP 54 CA -0.0066 0.0047 0.0085 384 ASP 54 C -0.0074 0.0022 0.0078 385 ASP 54 O -0.0090 -0.0001 0.0073 386 ASP 54 CB -0.0033 0.0042 0.0079 387 ASP 54 CG -0.0006 0.0044 0.0076 388 ASP 54 OD1 0.0006 0.0070 0.0083 389 ASP 54 OD2 0.0004 0.0021 0.0067 390 ASP 54 H -0.0100 0.0026 0.0083 391 ASP 54 HA -0.0065 0.0069 0.0092 392 ASP 54 HB2 -0.0028 0.0058 0.0083 393 ASP 54 HB3 -0.0033 0.0019 0.0072 394 SER 55 N -0.0036 0.0050 0.0041 395 SER 55 CA -0.0041 0.0055 0.0050 396 SER 55 C -0.0029 0.0019 0.0019 397 SER 55 O -0.0041 -0.0000 0.0030 398 SER 55 CB -0.0026 0.0109 0.0047 399 SER 55 OG -0.0028 0.0116 0.0054 400 SER 55 H -0.0024 0.0078 0.0033 401 SER 55 HA -0.0064 0.0047 0.0081 402 SER 55 HB2 -0.0037 0.0132 0.0072 403 SER 55 HB3 -0.0003 0.0121 0.0018 404 SER 55 HG -0.0012 0.0110 0.0027 405 THR 56 N 0.0054 0.0091 0.0051 406 THR 56 CA 0.0084 0.0018 -0.0009 407 THR 56 C 0.0022 -0.0067 -0.0002 408 THR 56 O 0.0013 -0.0130 -0.0026 409 THR 56 CB 0.0151 0.0023 -0.0060 410 THR 56 OG1 0.0205 0.0107 -0.0060 411 THR 56 CG2 0.0190 -0.0046 -0.0125 412 THR 56 H 0.0076 0.0131 0.0053 413 THR 56 HA 0.0102 0.0018 -0.0023 414 THR 56 HB 0.0129 0.0014 -0.0046 415 THR 56 HG1 0.0185 0.0145 -0.0026 416 THR 56 HG21 0.0237 -0.0041 -0.0159 417 THR 56 HG22 0.0210 -0.0038 -0.0137 418 THR 56 HG23 0.0150 -0.0109 -0.0124 419 ASN 57 N -0.0048 -0.0030 0.0069 420 ASN 57 CA -0.0076 -0.0026 0.0056 421 ASN 57 C -0.0081 -0.0033 0.0036 422 ASN 57 O -0.0094 -0.0037 0.0014 423 ASN 57 CB -0.0096 -0.0010 0.0075 424 ASN 57 CG -0.0101 -0.0004 0.0087 425 ASN 57 OD1 -0.0119 -0.0002 0.0076 426 ASN 57 ND2 -0.0086 0.0000 0.0109 427 ASN 57 H -0.0047 -0.0022 0.0088 428 ASN 57 HA -0.0078 -0.0030 0.0045 429 ASN 57 HB2 -0.0088 -0.0006 0.0092 430 ASN 57 HB3 -0.0115 -0.0008 0.0066 431 ASN 57 HD21 -0.0072 -0.0001 0.0118 432 ASN 57 HD22 -0.0089 0.0004 0.0116 433 LEU 58 N -0.0090 -0.0009 0.0049 434 LEU 58 CA -0.0095 -0.0013 0.0043 435 LEU 58 C -0.0094 -0.0022 0.0042 436 LEU 58 O -0.0098 -0.0026 0.0038 437 LEU 58 CB -0.0098 -0.0011 0.0041 438 LEU 58 CG -0.0104 -0.0015 0.0035 439 LEU 58 CD1 -0.0101 -0.0024 0.0036 440 LEU 58 CD2 -0.0109 -0.0015 0.0030 441 LEU 58 H -0.0087 -0.0007 0.0051 442 LEU 58 HA -0.0099 -0.0010 0.0040 443 LEU 58 HB2 -0.0099 -0.0004 0.0041 444 LEU 58 HB3 -0.0094 -0.0012 0.0044 445 LEU 58 HG -0.0106 -0.0012 0.0034 446 LEU 58 HD11 -0.0106 -0.0027 0.0031 447 LEU 58 HD12 -0.0099 -0.0028 0.0037 448 LEU 58 HD13 -0.0098 -0.0023 0.0039 449 LEU 58 HD21 -0.0107 -0.0019 0.0031 450 LEU 58 HD22 -0.0113 -0.0018 0.0026 451 LEU 58 HD23 -0.0110 -0.0009 0.0030 452 LYS 59 N -0.0072 -0.0016 0.0025 453 LYS 59 CA -0.0047 -0.0061 -0.0003 454 LYS 59 C -0.0040 -0.0131 -0.0037 455 LYS 59 O -0.0053 -0.0182 -0.0055 456 LYS 59 CB 0.0021 -0.0030 -0.0012 457 LYS 59 CG 0.0084 -0.0015 -0.0027 458 LYS 59 CD 0.0146 0.0020 -0.0032 459 LYS 59 CE 0.0173 -0.0023 -0.0060 460 LYS 59 NZ 0.0201 -0.0083 -0.0096 461 LYS 59 H -0.0045 0.0027 0.0035 462 LYS 59 HA -0.0087 -0.0069 0.0007 463 LYS 59 HB2 0.0035 -0.0063 -0.0032 464 LYS 59 HB3 0.0012 0.0017 0.0012 465 LYS 59 HG2 0.0069 0.0016 -0.0008 466 LYS 59 HG3 0.0096 -0.0062 -0.0052 467 LYS 59 HD2 0.0131 0.0064 -0.0007 468 LYS 59 HD3 0.0187 0.0036 -0.0039 469 LYS 59 HE2 0.0132 -0.0039 -0.0054 470 LYS 59 HE3 0.0215 0.0007 -0.0061 471 LYS 59 HZ1 0.0243 -0.0068 -0.0104 472 LYS 59 HZ2 0.0218 -0.0111 -0.0114 473 LYS 59 HZ3 0.0164 -0.0114 -0.0098 474 THR 60 N -0.0001 -0.0028 -0.0046 475 THR 60 CA 0.0006 -0.0046 -0.0048 476 THR 60 C -0.0011 -0.0056 -0.0045 477 THR 60 O -0.0011 -0.0075 -0.0045 478 THR 60 CB 0.0022 -0.0040 -0.0051 479 THR 60 OG1 0.0038 -0.0031 -0.0054 480 THR 60 CG2 0.0030 -0.0058 -0.0052 481 THR 60 H 0.0004 -0.0015 -0.0047 482 THR 60 HA 0.0013 -0.0056 -0.0049 483 THR 60 HB 0.0016 -0.0030 -0.0049 484 THR 60 HG1 0.0035 -0.0018 -0.0053 485 THR 60 HG21 0.0041 -0.0054 -0.0054 486 THR 60 HG22 0.0036 -0.0069 -0.0053 487 THR 60 HG23 0.0018 -0.0065 -0.0050 488 HIS 61 N -0.0095 0.0051 -0.0001 489 HIS 61 CA -0.0079 0.0070 -0.0027 490 HIS 61 C -0.0062 0.0072 -0.0048 491 HIS 61 O -0.0053 0.0097 -0.0066 492 HIS 61 CB -0.0066 0.0056 -0.0037 493 HIS 61 CG -0.0044 0.0066 -0.0067 494 HIS 61 ND1 -0.0042 0.0098 -0.0079 495 HIS 61 CD2 -0.0022 0.0047 -0.0088 496 HIS 61 CE1 -0.0020 0.0098 -0.0106 497 HIS 61 NE2 -0.0008 0.0068 -0.0111 498 HIS 61 H -0.0096 0.0029 0.0006 499 HIS 61 HA -0.0088 0.0096 -0.0023 500 HIS 61 HB2 -0.0077 0.0065 -0.0027 501 HIS 61 HB3 -0.0064 0.0028 -0.0033 502 HIS 61 HD1 -0.0054 0.0118 -0.0070 503 HIS 61 HD2 -0.0017 0.0020 -0.0086 504 HIS 61 HE1 -0.0010 0.0118 -0.0123 505 PHE 62 N -0.0035 0.0015 0.0005 506 PHE 62 CA -0.0035 0.0004 -0.0006 507 PHE 62 C -0.0036 0.0004 0.0006 508 PHE 62 O -0.0036 -0.0005 0.0000 509 PHE 62 CB -0.0036 -0.0018 -0.0013 510 PHE 62 CG -0.0036 -0.0020 -0.0023 511 PHE 62 CD1 -0.0034 -0.0009 -0.0041 512 PHE 62 CD2 -0.0038 -0.0034 -0.0015 513 PHE 62 CE1 -0.0034 -0.0012 -0.0050 514 PHE 62 CE2 -0.0037 -0.0036 -0.0025 515 PHE 62 CZ -0.0036 -0.0025 -0.0042 516 PHE 62 H -0.0036 0.0007 0.0013 517 PHE 62 HA -0.0034 0.0013 -0.0020 518 PHE 62 HB2 -0.0038 -0.0028 0.0000 519 PHE 62 HB3 -0.0036 -0.0022 -0.0024 520 PHE 62 HD1 -0.0033 0.0001 -0.0047 521 PHE 62 HD2 -0.0039 -0.0042 -0.0002 522 PHE 62 HE1 -0.0033 -0.0003 -0.0064 523 PHE 62 HE2 -0.0039 -0.0047 -0.0018 524 PHE 62 HZ -0.0035 -0.0028 -0.0049 525 ARG 63 N -0.0138 -0.0036 -0.0081 526 ARG 63 CA -0.0097 -0.0107 -0.0041 527 ARG 63 C -0.0114 -0.0155 -0.0023 528 ARG 63 O -0.0080 -0.0215 0.0011 529 ARG 63 CB -0.0005 -0.0091 -0.0028 530 ARG 63 CG 0.0014 -0.0058 -0.0038 531 ARG 63 CD 0.0106 -0.0042 -0.0025 532 ARG 63 NE 0.0150 -0.0111 0.0015 533 ARG 63 CZ 0.0229 -0.0117 0.0035 534 ARG 63 NH1 0.0272 -0.0059 0.0018 535 ARG 63 NH2 0.0263 -0.0182 0.0071 536 ARG 63 H -0.0107 0.0014 -0.0096 537 ARG 63 HA -0.0124 -0.0141 -0.0032 538 ARG 63 HB2 0.0021 -0.0050 -0.0040 539 ARG 63 HB3 0.0024 -0.0144 0.0002 540 ARG 63 HG2 -0.0011 -0.0100 -0.0025 541 ARG 63 HG3 -0.0016 -0.0005 -0.0068 542 ARG 63 HD2 0.0116 -0.0021 -0.0032 543 ARG 63 HD3 0.0129 0.0002 -0.0039 544 ARG 63 HE 0.0118 -0.0156 0.0028 545 ARG 63 HH11 0.0247 -0.0009 -0.0009 546 ARG 63 HH12 0.0331 -0.0061 0.0033 547 ARG 63 HH21 0.0231 -0.0227 0.0084 548 ARG 63 HH22 0.0322 -0.0189 0.0087 549 SER 64 N 0.0059 0.0117 0.0044 550 SER 64 CA 0.0084 0.0152 0.0035 551 SER 64 C 0.0057 0.0110 0.0018 552 SER 64 O 0.0044 0.0082 -0.0041 553 SER 64 CB 0.0117 0.0190 -0.0029 554 SER 64 OG 0.0137 0.0219 -0.0025 555 SER 64 H 0.0057 0.0108 0.0003 556 SER 64 HA 0.0098 0.0180 0.0082 557 SER 64 HB2 0.0103 0.0162 -0.0077 558 SER 64 HB3 0.0139 0.0222 -0.0030 559 SER 64 HG 0.0154 0.0251 0.0011 560 LYS 65 N 0.0144 0.0159 0.0103 561 LYS 65 CA 0.0137 0.0107 0.0073 562 LYS 65 C 0.0024 0.0097 0.0068 563 LYS 65 O 0.0006 0.0096 0.0068 564 LYS 65 CB 0.0199 0.0015 0.0018 565 LYS 65 CG 0.0176 -0.0051 -0.0020 566 LYS 65 CD 0.0063 -0.0088 -0.0040 567 LYS 65 CE 0.0046 -0.0151 -0.0077 568 LYS 65 NZ -0.0065 -0.0184 -0.0095 569 LYS 65 H 0.0175 0.0130 0.0085 570 LYS 65 HA 0.0175 0.0151 0.0098 571 LYS 65 HB2 0.0181 -0.0022 -0.0003 572 LYS 65 HB3 0.0282 0.0030 0.0026 573 LYS 65 HG2 0.0229 -0.0108 -0.0054 574 LYS 65 HG3 0.0191 -0.0014 0.0001 575 LYS 65 HD2 0.0008 -0.0032 -0.0007 576 LYS 65 HD3 0.0050 -0.0125 -0.0062 577 LYS 65 HE2 0.0097 -0.0209 -0.0112 578 LYS 65 HE3 0.0066 -0.0115 -0.0056 579 LYS 65 HZ1 -0.0088 -0.0220 -0.0115 580 LYS 65 HZ2 -0.0117 -0.0131 -0.0063 581 LYS 65 HZ3 -0.0074 -0.0229 -0.0120 582 ASP 66 N 0.0051 0.0033 -0.0022 583 ASP 66 CA -0.0025 0.0026 -0.0039 584 ASP 66 C -0.0060 0.0083 -0.0021 585 ASP 66 O -0.0113 0.0076 -0.0033 586 ASP 66 CB -0.0059 0.0022 -0.0047 587 ASP 66 CG -0.0135 0.0003 -0.0069 588 ASP 66 OD1 -0.0146 -0.0058 -0.0096 589 ASP 66 OD2 -0.0184 0.0046 -0.0059 590 ASP 66 H 0.0071 0.0044 -0.0013 591 ASP 66 HA -0.0031 -0.0020 -0.0059 592 ASP 66 HB2 -0.0027 -0.0013 -0.0056 593 ASP 66 HB3 -0.0059 0.0071 -0.0026 594 HIS 67 N 0.0051 0.0128 -0.0000 595 HIS 67 CA 0.0041 0.0131 -0.0045 596 HIS 67 C 0.0002 0.0107 -0.0055 597 HIS 67 O -0.0011 0.0105 -0.0082 598 HIS 67 CB 0.0053 0.0141 -0.0058 599 HIS 67 CG 0.0047 0.0146 -0.0103 600 HIS 67 ND1 0.0049 0.0154 -0.0133 601 HIS 67 CD2 0.0050 0.0151 -0.0120 602 HIS 67 CE1 0.0055 0.0164 -0.0167 603 HIS 67 NE2 0.0056 0.0164 -0.0161 604 HIS 67 H 0.0063 0.0132 0.0017 605 HIS 67 HA 0.0053 0.0142 -0.0063 606 HIS 67 HB2 0.0081 0.0158 -0.0054 607 HIS 67 HB3 0.0040 0.0129 -0.0043 608 HIS 67 HD1 0.0048 0.0152 -0.0130 609 HIS 67 HD2 0.0042 0.0143 -0.0104 610 HIS 67 HE1 0.0058 0.0172 -0.0196 611 LYS 68 N -0.0015 0.0080 -0.0052 612 LYS 68 CA -0.0021 0.0062 -0.0056 613 LYS 68 C -0.0031 0.0046 -0.0066 614 LYS 68 O -0.0041 0.0034 -0.0077 615 LYS 68 CB -0.0011 0.0051 -0.0038 616 LYS 68 CG 0.0000 0.0069 -0.0027 617 LYS 68 CD 0.0011 0.0057 -0.0008 618 LYS 68 CE 0.0017 0.0047 0.0004 619 LYS 68 NZ 0.0028 0.0038 0.0023 620 LYS 68 H -0.0006 0.0081 -0.0039 621 LYS 68 HA -0.0026 0.0069 -0.0065 622 LYS 68 HB2 -0.0007 0.0044 -0.0029 623 LYS 68 HB3 -0.0015 0.0039 -0.0040 624 LYS 68 HG2 -0.0003 0.0079 -0.0035 625 LYS 68 HG3 0.0005 0.0081 -0.0024 626 LYS 68 HD2 0.0006 0.0044 -0.0011 627 LYS 68 HD3 0.0018 0.0069 -0.0001 628 LYS 68 HE2 0.0021 0.0060 0.0006 629 LYS 68 HE3 0.0010 0.0035 -0.0002 630 LYS 68 HZ1 0.0024 0.0025 0.0021 631 LYS 68 HZ2 0.0033 0.0032 0.0031 632 LYS 68 HZ3 0.0035 0.0050 0.0029 633 LYS 69 N -0.0132 0.0078 -0.0062 634 LYS 69 CA -0.0142 0.0071 -0.0016 635 LYS 69 C -0.0143 0.0071 -0.0014 636 LYS 69 O -0.0173 0.0078 0.0009 637 LYS 69 CB -0.0107 0.0050 0.0011 638 LYS 69 CG -0.0102 0.0036 0.0056 639 LYS 69 CD -0.0061 0.0016 0.0073 640 LYS 69 CE -0.0049 -0.0001 0.0117 641 LYS 69 NZ -0.0007 -0.0020 0.0128 642 LYS 69 H -0.0107 0.0069 -0.0068 643 LYS 69 HA -0.0173 0.0080 -0.0002 644 LYS 69 HB2 -0.0112 0.0051 0.0016 645 LYS 69 HB3 -0.0076 0.0042 -0.0010 646 LYS 69 HG2 -0.0098 0.0037 0.0050 647 LYS 69 HG3 -0.0130 0.0042 0.0080 648 LYS 69 HD2 -0.0067 0.0017 0.0077 649 LYS 69 HD3 -0.0035 0.0011 0.0047 650 LYS 69 HE2 -0.0045 -0.0001 0.0114 651 LYS 69 HE3 -0.0073 0.0003 0.0144 652 LYS 69 HZ1 0.0004 -0.0032 0.0158 653 LYS 69 HZ2 0.0017 -0.0024 0.0101 654 LYS 69 HZ3 -0.0010 -0.0020 0.0130 655 ARG 70 N -0.0131 0.0066 -0.0103 656 ARG 70 CA -0.0115 0.0046 -0.0059 657 ARG 70 C -0.0117 0.0074 -0.0048 658 ARG 70 O -0.0107 0.0083 -0.0005 659 ARG 70 CB -0.0107 -0.0012 -0.0066 660 ARG 70 CG -0.0089 -0.0036 -0.0019 661 ARG 70 CD -0.0079 -0.0028 0.0025 662 ARG 70 NE -0.0062 -0.0049 0.0072 663 ARG 70 CZ -0.0052 -0.0030 0.0118 664 ARG 70 NH1 -0.0058 0.0011 0.0125 665 ARG 70 NH2 -0.0037 -0.0052 0.0158 666 ARG 70 H -0.0135 0.0043 -0.0134 667 ARG 70 HA -0.0108 0.0053 -0.0028 668 ARG 70 HB2 -0.0107 -0.0031 -0.0079 669 ARG 70 HB3 -0.0114 -0.0017 -0.0095 670 ARG 70 HG2 -0.0084 -0.0077 -0.0026 671 ARG 70 HG3 -0.0090 -0.0019 -0.0008 672 ARG 70 HD2 -0.0084 0.0013 0.0032 673 ARG 70 HD3 -0.0078 -0.0046 0.0016 674 ARG 70 HE -0.0058 -0.0079 0.0067 675 ARG 70 HH11 -0.0069 0.0029 0.0096 676 ARG 70 HH12 -0.0051 0.0026 0.0159 677 ARG 70 HH21 -0.0033 -0.0083 0.0154 678 ARG 70 HH22 -0.0030 -0.0040 0.0194 679 LEU 71 N -0.0050 0.0011 -0.0039 680 LEU 71 CA -0.0064 0.0011 -0.0053 681 LEU 71 C -0.0084 -0.0007 -0.0051 682 LEU 71 O -0.0100 -0.0008 -0.0066 683 LEU 71 CB -0.0055 0.0015 -0.0048 684 LEU 71 CG -0.0035 0.0034 -0.0049 685 LEU 71 CD1 -0.0028 0.0036 -0.0045 686 LEU 71 CD2 -0.0036 0.0051 -0.0069 687 LEU 71 H -0.0038 0.0012 -0.0028 688 LEU 71 HA -0.0067 0.0022 -0.0068 689 LEU 71 HB2 -0.0053 0.0004 -0.0033 690 LEU 71 HB3 -0.0066 0.0015 -0.0058 691 LEU 71 HG -0.0023 0.0033 -0.0037 692 LEU 71 HD11 -0.0040 0.0037 -0.0057 693 LEU 71 HD12 -0.0027 0.0024 -0.0031 694 LEU 71 HD13 -0.0014 0.0049 -0.0046 695 LEU 71 HD21 -0.0039 0.0049 -0.0071 696 LEU 71 HD22 -0.0048 0.0051 -0.0081 697 LEU 71 HD23 -0.0022 0.0063 -0.0069 698 LYS 72 N -0.0093 0.0005 -0.0016 699 LYS 72 CA -0.0098 0.0010 -0.0011 700 LYS 72 C -0.0080 0.0016 -0.0012 701 LYS 72 O -0.0078 0.0013 -0.0015 702 LYS 72 CB -0.0109 0.0023 0.0002 703 LYS 72 CG -0.0115 0.0030 0.0008 704 LYS 72 CD -0.0128 0.0042 0.0021 705 LYS 72 CE -0.0134 0.0048 0.0028 706 LYS 72 NZ -0.0147 0.0059 0.0040 707 LYS 72 H -0.0097 0.0010 -0.0011 708 LYS 72 HA -0.0106 0.0001 -0.0016 709 LYS 72 HB2 -0.0122 0.0019 0.0002 710 LYS 72 HB3 -0.0101 0.0033 0.0007 711 LYS 72 HG2 -0.0103 0.0035 0.0009 712 LYS 72 HG3 -0.0123 0.0020 0.0003 713 LYS 72 HD2 -0.0140 0.0037 0.0021 714 LYS 72 HD3 -0.0120 0.0051 0.0026 715 LYS 72 HE2 -0.0122 0.0054 0.0028 716 LYS 72 HE3 -0.0141 0.0039 0.0022 717 LYS 72 HZ1 -0.0141 0.0069 0.0045 718 LYS 72 HZ2 -0.0159 0.0054 0.0039 719 LYS 72 HZ3 -0.0151 0.0064 0.0044 720 GLN 73 N -0.0110 0.0096 0.0004 721 GLN 73 CA -0.0060 0.0104 0.0032 722 GLN 73 C -0.0025 0.0062 0.0049 723 GLN 73 O 0.0014 0.0076 0.0071 724 GLN 73 CB -0.0056 0.0099 0.0034 725 GLN 73 CG -0.0087 0.0141 0.0021 726 GLN 73 CD -0.0084 0.0133 0.0022 727 GLN 73 OE1 -0.0076 0.0087 0.0022 728 GLN 73 NE2 -0.0090 0.0178 0.0022 729 GLN 73 H -0.0133 0.0082 -0.0010 730 GLN 73 HA -0.0051 0.0145 0.0041 731 GLN 73 HB2 -0.0067 0.0059 0.0025 732 GLN 73 HB3 -0.0019 0.0104 0.0055 733 GLN 73 HG2 -0.0076 0.0182 0.0030 734 GLN 73 HG3 -0.0125 0.0137 -0.0000 735 GLN 73 HE21 -0.0096 0.0213 0.0022 736 GLN 73 HE22 -0.0088 0.0175 0.0023 737 LEU 74 N -0.0037 0.0033 -0.0004 738 LEU 74 CA -0.0011 -0.0009 0.0031 739 LEU 74 C 0.0005 0.0008 0.0041 740 LEU 74 O 0.0034 -0.0016 0.0074 741 LEU 74 CB -0.0039 -0.0072 0.0022 742 LEU 74 CG -0.0014 -0.0124 0.0057 743 LEU 74 CD1 0.0028 -0.0125 0.0096 744 LEU 74 CD2 -0.0047 -0.0183 0.0043 745 LEU 74 H -0.0071 0.0023 -0.0031 746 LEU 74 HA 0.0019 -0.0007 0.0058 747 LEU 74 HB2 -0.0052 -0.0079 0.0012 748 LEU 74 HB3 -0.0067 -0.0070 -0.0004 749 LEU 74 HG -0.0004 -0.0118 0.0066 750 LEU 74 HD11 0.0044 -0.0162 0.0120 751 LEU 74 HD12 0.0018 -0.0130 0.0088 752 LEU 74 HD13 0.0052 -0.0084 0.0107 753 LEU 74 HD21 -0.0058 -0.0189 0.0035 754 LEU 74 HD22 -0.0030 -0.0219 0.0068 755 LEU 74 HD23 -0.0076 -0.0182 0.0017 756 SER 75 N -0.0006 -0.0024 -0.0044 757 SER 75 CA 0.0019 -0.0087 -0.0032 758 SER 75 C -0.0055 -0.0254 -0.0001 759 SER 75 O -0.0011 -0.0346 0.0017 760 SER 75 CB 0.0202 -0.0081 -0.0030 761 SER 75 OG 0.0229 -0.0132 -0.0020 762 SER 75 H -0.0090 0.0055 -0.0060 763 SER 75 HA -0.0048 -0.0011 -0.0047 764 SER 75 HB2 0.0245 0.0038 -0.0052 765 SER 75 HB3 0.0268 -0.0157 -0.0015 766 SER 75 HG 0.0302 -0.0058 -0.0033 767 VAL 76 N -0.0084 -0.0101 -0.0082 768 VAL 76 CA -0.0075 -0.0087 -0.0102 769 VAL 76 C -0.0093 -0.0104 -0.0091 770 VAL 76 O -0.0113 -0.0107 -0.0116 771 VAL 76 CB -0.0035 -0.0065 -0.0092 772 VAL 76 CG1 -0.0026 -0.0051 -0.0112 773 VAL 76 CG2 -0.0016 -0.0048 -0.0103 774 VAL 76 H -0.0066 -0.0097 -0.0063 775 VAL 76 HA -0.0082 -0.0080 -0.0132 776 VAL 76 HB -0.0028 -0.0073 -0.0061 777 VAL 76 HG11 0.0002 -0.0036 -0.0105 778 VAL 76 HG12 -0.0034 -0.0044 -0.0143 779 VAL 76 HG13 -0.0039 -0.0063 -0.0103 780 VAL 76 HG21 0.0012 -0.0033 -0.0095 781 VAL 76 HG22 -0.0022 -0.0058 -0.0087 782 VAL 76 HG23 -0.0023 -0.0041 -0.0133 783 GLU 77 N -0.0040 -0.0076 -0.0060 784 GLU 77 CA -0.0035 -0.0094 -0.0043 785 GLU 77 C -0.0036 -0.0140 -0.0011 786 GLU 77 O -0.0004 -0.0149 0.0017 787 GLU 77 CB 0.0006 -0.0067 -0.0036 788 GLU 77 CG 0.0048 -0.0055 -0.0016 789 GLU 77 CD 0.0087 -0.0031 -0.0007 790 GLU 77 OE1 0.0093 0.0007 -0.0031 791 GLU 77 OE2 0.0113 -0.0049 0.0023 792 GLU 77 H -0.0025 -0.0084 -0.0045 793 GLU 77 HA -0.0063 -0.0095 -0.0062 794 GLU 77 HB2 0.0010 -0.0086 -0.0019 795 GLU 77 HB3 0.0001 -0.0039 -0.0060 796 GLU 77 HG2 0.0045 -0.0036 -0.0032 797 GLU 77 HG3 0.0053 -0.0084 0.0008 798 PRO 78 N -0.0042 -0.0088 0.0019 799 PRO 78 CA -0.0055 -0.0209 0.0105 800 PRO 78 C 0.0035 -0.0204 0.0105 801 PRO 78 O 0.0011 -0.0121 0.0045 802 PRO 78 CB -0.0227 -0.0225 0.0109 803 PRO 78 CG -0.0301 -0.0133 0.0041 804 PRO 78 CD -0.0189 -0.0027 -0.0030 805 PRO 78 HA -0.0015 -0.0283 0.0159 806 PRO 78 HB2 -0.0248 -0.0207 0.0095 807 PRO 78 HB3 -0.0264 -0.0319 0.0174 808 PRO 78 HG2 -0.0405 -0.0102 0.0014 809 PRO 78 HG3 -0.0326 -0.0174 0.0069 810 PRO 78 HD2 -0.0200 0.0039 -0.0078 811 PRO 78 HD3 -0.0202 0.0018 -0.0062 812 TYR 79 N 0.0346 -0.0145 0.0032 813 TYR 79 CA 0.0163 -0.0156 0.0085 814 TYR 79 C 0.0097 -0.0262 0.0075 815 TYR 79 O 0.0071 -0.0418 0.0037 816 TYR 79 CB 0.0082 -0.0216 0.0093 817 TYR 79 CG 0.0126 -0.0097 0.0114 818 TYR 79 CD1 0.0266 -0.0113 0.0066 819 TYR 79 CD2 0.0027 0.0033 0.0182 820 TYR 79 CE1 0.0307 -0.0004 0.0085 821 TYR 79 CE2 0.0067 0.0143 0.0202 822 TYR 79 CZ 0.0208 0.0124 0.0153 823 TYR 79 OH 0.0249 0.0235 0.0173 824 TYR 79 H 0.0406 -0.0036 0.0046 825 TYR 79 HA 0.0130 -0.0030 0.0132 826 TYR 79 HB2 0.0123 -0.0338 0.0045 827 TYR 79 HB3 -0.0053 -0.0226 0.0131 828 TYR 79 HD1 0.0344 -0.0214 0.0013 829 TYR 79 HD2 -0.0084 0.0048 0.0220 830 TYR 79 HE1 0.0418 -0.0020 0.0047 831 TYR 79 HE2 -0.0012 0.0244 0.0255 832 TYR 79 HH 0.0239 0.0346 0.0208 833 SER 80 N 0.0293 -0.0121 -0.0032 834 SER 80 CA 0.0262 -0.0117 0.0003 835 SER 80 C 0.0253 -0.0117 0.0016 836 SER 80 O 0.0277 -0.0123 0.0002 837 SER 80 CB 0.0223 -0.0097 -0.0011 838 SER 80 OG 0.0191 -0.0093 0.0023 839 SER 80 H 0.0284 -0.0111 -0.0060 840 SER 80 HA 0.0272 -0.0128 0.0030 841 SER 80 HB2 0.0231 -0.0098 -0.0023 842 SER 80 HB3 0.0212 -0.0086 -0.0037 843 SER 80 HG 0.0199 -0.0100 0.0040 844 GLN 81 N 0.0131 -0.0151 0.0011 845 GLN 81 CA 0.0035 -0.0146 0.0040 846 GLN 81 C 0.0003 -0.0044 0.0031 847 GLN 81 O 0.0044 0.0019 0.0006 848 GLN 81 CB -0.0016 -0.0188 0.0063 849 GLN 81 CG -0.0116 -0.0197 0.0096 850 GLN 81 CD -0.0170 -0.0230 0.0120 851 GLN 81 OE1 -0.0150 -0.0212 0.0110 852 GLN 81 NE2 -0.0238 -0.0279 0.0150 853 GLN 81 H 0.0158 -0.0167 0.0005 854 GLN 81 HA 0.0022 -0.0184 0.0051 855 GLN 81 HB2 0.0015 -0.0256 0.0067 856 GLN 81 HB3 -0.0010 -0.0143 0.0053 857 GLN 81 HG2 -0.0144 -0.0129 0.0093 858 GLN 81 HG3 -0.0121 -0.0245 0.0107 859 GLN 81 HE21 -0.0250 -0.0291 0.0156 860 GLN 81 HE22 -0.0276 -0.0301 0.0166 861 GLU 82 N -0.0043 -0.0086 0.0069 862 GLU 82 CA -0.0132 0.0107 -0.0010 863 GLU 82 C 0.0053 0.0138 -0.0160 864 GLU 82 O 0.0018 0.0284 -0.0241 865 GLU 82 CB -0.0263 0.0310 -0.0068 866 GLU 82 CG -0.0368 0.0517 -0.0145 867 GLU 82 CD -0.0499 0.0699 -0.0188 868 GLU 82 OE1 -0.0400 0.0795 -0.0325 869 GLU 82 OE2 -0.0705 0.0753 -0.0085 870 GLU 82 H -0.0068 -0.0219 0.0182 871 GLU 82 HA -0.0242 0.0066 0.0095 872 GLU 82 HB2 -0.0393 0.0275 0.0047 873 GLU 82 HB3 -0.0152 0.0340 -0.0166 874 GLU 82 HG2 -0.0240 0.0562 -0.0266 875 GLU 82 HG3 -0.0476 0.0487 -0.0050 876 GLU 83 N 0.0057 0.0022 0.0022 877 GLU 83 CA 0.0001 0.0054 0.0081 878 GLU 83 C -0.0107 0.0025 0.0020 879 GLU 83 O -0.0207 0.0047 0.0057 880 GLU 83 CB 0.0092 0.0065 0.0107 881 GLU 83 CG 0.0042 0.0098 0.0169 882 GLU 83 CD 0.0138 0.0112 0.0203 883 GLU 83 OE1 0.0179 0.0078 0.0138 884 GLU 83 OE2 0.0173 0.0159 0.0297 885 GLU 83 H 0.0079 -0.0017 -0.0052 886 GLU 83 HA -0.0030 0.0092 0.0154 887 GLU 83 HB2 0.0164 0.0086 0.0153 888 GLU 83 HB3 0.0127 0.0026 0.0034 889 GLU 83 HG2 -0.0022 0.0074 0.0121 890 GLU 83 HG3 -0.0001 0.0135 0.0239 891 ALA 84 N -0.0043 -0.0087 0.0164 892 ALA 84 CA -0.0313 -0.0170 -0.0021 893 ALA 84 C -0.0330 -0.0205 -0.0200 894 ALA 84 O -0.0482 -0.0274 -0.0430 895 ALA 84 CB -0.0309 -0.0206 -0.0225 896 ALA 84 H 0.0152 -0.0068 0.0067 897 ALA 84 HA -0.0506 -0.0178 0.0132 898 ALA 84 HB1 -0.0507 -0.0267 -0.0362 899 ALA 84 HB2 -0.0108 -0.0195 -0.0370 900 ALA 84 HB3 -0.0317 -0.0183 -0.0088 901 GLU 85 N 0.0125 -0.0028 0.0023 902 GLU 85 CA 0.0129 -0.0020 0.0045 903 GLU 85 C 0.0117 -0.0024 0.0029 904 GLU 85 O 0.0090 -0.0019 0.0024 905 GLU 85 CB 0.0109 -0.0004 0.0071 906 GLU 85 CG 0.0116 0.0006 0.0098 907 GLU 85 CD 0.0104 0.0007 0.0095 908 GLU 85 OE1 0.0076 0.0016 0.0100 909 GLU 85 OE2 0.0121 -0.0000 0.0087 910 GLU 85 H 0.0115 -0.0034 0.0004 911 GLU 85 HA 0.0153 -0.0023 0.0053 912 GLU 85 HB2 0.0113 -0.0003 0.0077 913 GLU 85 HB3 0.0084 -0.0002 0.0063 914 GLU 85 HG2 0.0141 -0.0000 0.0098 915 GLU 85 HG3 0.0108 0.0015 0.0117 916 ARG 86 N 0.0182 0.0003 -0.0128 917 ARG 86 CA 0.0216 -0.0003 -0.0084 918 ARG 86 C 0.0218 -0.0002 -0.0096 919 ARG 86 O 0.0176 0.0003 -0.0120 920 ARG 86 CB 0.0195 -0.0007 -0.0019 921 ARG 86 CG 0.0126 -0.0003 -0.0007 922 ARG 86 CD 0.0095 0.0000 -0.0016 923 ARG 86 NE 0.0029 0.0005 -0.0010 924 ARG 86 CZ -0.0012 0.0009 -0.0026 925 ARG 86 NH1 0.0005 0.0010 -0.0047 926 ARG 86 NH2 -0.0071 0.0014 -0.0021 927 ARG 86 H 0.0140 0.0007 -0.0136 928 ARG 86 HA 0.0262 -0.0006 -0.0089 929 ARG 86 HB2 0.0214 -0.0011 0.0012 930 ARG 86 HB3 0.0214 -0.0010 -0.0007 931 ARG 86 HG2 0.0118 -0.0006 0.0038 932 ARG 86 HG3 0.0107 0.0001 -0.0038 933 ARG 86 HD2 0.0106 0.0003 -0.0060 934 ARG 86 HD3 0.0110 -0.0004 0.0018 935 ARG 86 HE 0.0015 0.0005 0.0007 936 ARG 86 HH11 0.0048 0.0007 -0.0051 937 ARG 86 HH12 -0.0026 0.0013 -0.0059 938 ARG 86 HH21 -0.0085 0.0013 -0.0005 939 ARG 86 HH22 -0.0103 0.0017 -0.0033 940 ALA 87 N -0.0071 0.0159 0.0050 941 ALA 87 CA -0.0030 0.0155 -0.0002 942 ALA 87 C -0.0051 0.0138 0.0144 943 ALA 87 O 0.0039 0.0107 0.0167 944 ALA 87 CB 0.0140 0.0113 -0.0067 945 ALA 87 H 0.0007 0.0126 0.0112 946 ALA 87 HA -0.0106 0.0194 -0.0097 947 ALA 87 HB1 0.0216 0.0075 0.0026 948 ALA 87 HB2 0.0154 0.0126 -0.0171 949 ALA 87 HB3 0.0172 0.0109 -0.0103 950 ALA 88 N 0.0057 0.0090 0.0021 951 ALA 88 CA -0.0006 0.0246 0.0149 952 ALA 88 C -0.0161 0.0169 0.0171 953 ALA 88 O -0.0107 0.0154 0.0137 954 ALA 88 CB 0.0179 0.0391 0.0155 955 ALA 88 H 0.0095 -0.0008 -0.0058 956 ALA 88 HA -0.0082 0.0318 0.0229 957 ALA 88 HB1 0.0255 0.0322 0.0076 958 ALA 88 HB2 0.0287 0.0444 0.0138 959 ALA 88 HB3 0.0125 0.0510 0.0254 960 GLY 89 N 0.0124 0.0023 -0.0092 961 GLY 89 CA -0.0078 0.0159 -0.0125 962 GLY 89 C -0.0352 0.0155 -0.0266 963 GLY 89 O -0.0418 0.0250 -0.0251 964 GLY 89 H 0.0083 -0.0100 -0.0175 965 GLY 89 HA2 -0.0055 0.0363 -0.0011 966 GLY 89 HA3 -0.0056 0.0061 -0.0164 967 MET 90 N 0.0187 -0.0088 0.0282 968 MET 90 CA 0.0111 -0.0083 0.0145 969 MET 90 C 0.0044 0.0033 0.0153 970 MET 90 O 0.0059 0.0027 0.0173 971 MET 90 CB 0.0150 -0.0215 0.0067 972 MET 90 CG 0.0077 -0.0233 -0.0087 973 MET 90 SD -0.0017 -0.0117 -0.0132 974 MET 90 CE -0.0077 -0.0178 -0.0312 975 MET 90 H 0.0193 -0.0078 0.0302 976 MET 90 HA 0.0072 -0.0066 0.0093 977 MET 90 HB2 0.0204 -0.0294 0.0078 978 MET 90 HB3 0.0181 -0.0225 0.0113 979 MET 90 HG2 0.0046 -0.0223 -0.0134 980 MET 90 HG3 0.0115 -0.0331 -0.0129 981 MET 90 HE1 -0.0101 -0.0176 -0.0355 982 MET 90 HE2 -0.0136 -0.0118 -0.0354 983 MET 90 HE3 -0.0029 -0.0278 -0.0336 984 GLY 91 N -0.0258 0.0372 -0.0421 985 GLY 91 CA -0.0239 0.0134 -0.0267 986 GLY 91 C -0.0239 -0.0159 0.0148 987 GLY 91 O -0.0173 -0.0583 0.0128 988 GLY 91 H -0.0221 0.0190 -0.0509 989 GLY 91 HA2 -0.0285 0.0383 -0.0178 990 GLY 91 HA3 -0.0177 -0.0085 -0.0540 991 SER 92 N 0.0103 -0.0128 0.0068 992 SER 92 CA 0.0081 -0.0151 0.0089 993 SER 92 C 0.0077 -0.0140 0.0149 994 SER 92 O 0.0101 -0.0103 0.0169 995 SER 92 CB 0.0093 -0.0142 0.0062 996 SER 92 OG 0.0097 -0.0152 0.0006 997 SER 92 H 0.0126 -0.0096 0.0071 998 SER 92 HA 0.0057 -0.0185 0.0080 999 SER 92 HB2 0.0117 -0.0108 0.0071 1000 SER 92 HB3 0.0076 -0.0161 0.0077 1001 SER 92 HG 0.0095 -0.0157 -0.0001 1002 TYR 93 N 0.0025 -0.0072 0.0042 1003 TYR 93 CA -0.0007 -0.0051 0.0030 1004 TYR 93 C -0.0037 -0.0064 0.0016 1005 TYR 93 O -0.0028 -0.0082 0.0018 1006 TYR 93 CB -0.0001 -0.0006 0.0036 1007 TYR 93 CG -0.0031 0.0021 0.0025 1008 TYR 93 CD1 -0.0031 0.0033 0.0026 1009 TYR 93 CD2 -0.0059 0.0033 0.0014 1010 TYR 93 CE1 -0.0058 0.0058 0.0017 1011 TYR 93 CE2 -0.0086 0.0058 0.0005 1012 TYR 93 CZ -0.0086 0.0070 0.0006 1013 TYR 93 OH -0.0113 0.0094 -0.0004 1014 TYR 93 H 0.0036 -0.0067 0.0046 1015 TYR 93 HA -0.0014 -0.0057 0.0026 1016 TYR 93 HB2 0.0023 0.0001 0.0046 1017 TYR 93 HB3 0.0002 -0.0001 0.0037 1018 TYR 93 HD1 -0.0009 0.0024 0.0034 1019 TYR 93 HD2 -0.0060 0.0024 0.0013 1020 TYR 93 HE1 -0.0058 0.0067 0.0017 1021 TYR 93 HE2 -0.0108 0.0068 -0.0004 1022 TYR 93 HH -0.0135 0.0083 -0.0014 1023 VAL 94 N 0.0171 0.0058 -0.0002 1024 VAL 94 CA 0.0130 0.0031 -0.0001 1025 VAL 94 C 0.0123 0.0027 -0.0001 1026 VAL 94 O 0.0112 0.0062 0.0008 1027 VAL 94 CB 0.0086 0.0046 0.0009 1028 VAL 94 CG1 0.0076 0.0095 0.0022 1029 VAL 94 CG2 0.0045 0.0016 0.0009 1030 VAL 94 H 0.0167 0.0085 0.0005 1031 VAL 94 HA 0.0137 -0.0003 -0.0010 1032 VAL 94 HB 0.0092 0.0044 0.0008 1033 VAL 94 HG11 0.0046 0.0104 0.0029 1034 VAL 94 HG12 0.0071 0.0100 0.0024 1035 VAL 94 HG13 0.0104 0.0117 0.0022 1036 VAL 94 HG21 0.0039 0.0017 0.0010 1037 VAL 94 HG22 0.0015 0.0027 0.0016 1038 VAL 94 HG23 0.0051 -0.0018 0.0001