1 ASP 28 N -0.0175 0.0212 -0.0796 2 ASP 28 CA -0.0208 0.0325 -0.0532 3 ASP 28 C -0.0129 0.0120 -0.0329 4 ASP 28 O -0.0070 -0.0050 -0.0377 5 ASP 28 CB -0.0273 0.0509 -0.0531 6 ASP 28 CG -0.0310 0.0635 -0.0265 7 ASP 28 OD1 -0.0360 0.0785 -0.0178 8 ASP 28 OD2 -0.0293 0.0599 -0.0147 9 ASP 28 H -0.0228 0.0348 -0.0940 10 ASP 28 HA -0.0242 0.0425 -0.0484 11 ASP 28 HB2 -0.0329 0.0654 -0.0676 12 ASP 28 HB3 -0.0238 0.0407 -0.0585 13 PRO 29 N -0.0501 -0.0410 0.1745 14 PRO 29 CA -0.0536 0.1110 0.0166 15 PRO 29 C -0.0326 0.0809 -0.1129 16 PRO 29 O 0.0012 -0.0851 -0.1781 17 PRO 29 CB -0.0334 0.0828 -0.1089 18 PRO 29 CG -0.0310 -0.0373 0.0192 19 PRO 29 CD -0.0291 -0.1614 0.1556 20 PRO 29 HA -0.0841 0.2582 0.0775 21 PRO 29 HB2 -0.0048 0.0081 -0.2441 22 PRO 29 HB3 -0.0507 0.2266 -0.1480 23 PRO 29 HG2 -0.0048 -0.1315 -0.0731 24 PRO 29 HG3 -0.0570 0.0604 0.1050 25 PRO 29 HD2 0.0012 -0.3038 0.0902 26 PRO 29 HD3 -0.0441 -0.1805 0.2983 27 ASN 30 N -0.0171 -0.0265 -0.0018 28 ASN 30 CA -0.0171 -0.0297 0.0166 29 ASN 30 C -0.0150 -0.0160 0.0145 30 ASN 30 O -0.0120 0.0016 0.0241 31 ASN 30 CB -0.0160 -0.0259 0.0385 32 ASN 30 CG -0.0158 -0.0284 0.0592 33 ASN 30 OD1 -0.0184 -0.0461 0.0682 34 ASN 30 ND2 -0.0128 -0.0108 0.0671 35 ASN 30 H -0.0193 -0.0394 -0.0093 36 ASN 30 HA -0.0198 -0.0466 0.0161 37 ASN 30 HB2 -0.0178 -0.0376 0.0394 38 ASN 30 HB3 -0.0135 -0.0097 0.0369 39 ASN 30 HD21 -0.0108 0.0031 0.0594 40 ASN 30 HD22 -0.0127 -0.0121 0.0802 41 ALA 31 N -0.0126 -0.0204 0.0073 42 ALA 31 CA -0.0112 -0.0167 0.0076 43 ALA 31 C -0.0100 -0.0165 0.0068 44 ALA 31 O -0.0075 -0.0169 0.0046 45 ALA 31 CB -0.0086 -0.0151 0.0062 46 ALA 31 H -0.0122 -0.0223 0.0063 47 ALA 31 HA -0.0129 -0.0152 0.0096 48 ALA 31 HB1 -0.0077 -0.0124 0.0066 49 ALA 31 HB2 -0.0069 -0.0166 0.0043 50 ALA 31 HB3 -0.0095 -0.0153 0.0068 51 GLU 32 N 0.0018 0.0133 0.0150 52 GLU 32 CA 0.0081 0.0259 0.0193 53 GLU 32 C 0.0045 0.0184 0.0173 54 GLU 32 O 0.0086 0.0247 0.0237 55 GLU 32 CB 0.0123 0.0421 0.0067 56 GLU 32 CG 0.0068 0.0399 -0.0135 57 GLU 32 CD 0.0114 0.0566 -0.0251 58 GLU 32 OE1 0.0146 0.0656 -0.0282 59 GLU 32 OE2 0.0120 0.0611 -0.0312 60 GLU 32 H -0.0004 0.0147 0.0028 61 GLU 32 HA 0.0124 0.0286 0.0331 62 GLU 32 HB2 0.0170 0.0512 0.0105 63 GLU 32 HB3 0.0148 0.0469 0.0087 64 GLU 32 HG2 0.0021 0.0312 -0.0177 65 GLU 32 HG3 0.0041 0.0346 -0.0156 66 PHE 33 N 0.0028 -0.0015 0.0078 67 PHE 33 CA 0.0023 -0.0005 0.0072 68 PHE 33 C 0.0035 -0.0050 0.0093 69 PHE 33 O 0.0040 -0.0091 0.0109 70 PHE 33 CB -0.0026 0.0003 0.0036 71 PHE 33 CG -0.0060 -0.0042 0.0025 72 PHE 33 CD1 -0.0072 -0.0087 0.0030 73 PHE 33 CD2 -0.0080 -0.0039 0.0010 74 PHE 33 CE1 -0.0103 -0.0127 0.0020 75 PHE 33 CE2 -0.0111 -0.0080 0.0001 76 PHE 33 CZ -0.0123 -0.0124 0.0006 77 PHE 33 H 0.0006 -0.0040 0.0070 78 PHE 33 HA 0.0045 0.0031 0.0077 79 PHE 33 HB2 -0.0030 0.0006 0.0032 80 PHE 33 HB3 -0.0032 0.0038 0.0021 81 PHE 33 HD1 -0.0057 -0.0089 0.0041 82 PHE 33 HD2 -0.0071 -0.0005 0.0007 83 PHE 33 HE1 -0.0113 -0.0162 0.0024 84 PHE 33 HE2 -0.0126 -0.0077 -0.0010 85 PHE 33 HZ -0.0147 -0.0156 -0.0001 86 ASP 34 N 0.0060 -0.0069 0.0091 87 ASP 34 CA 0.0084 -0.0044 0.0070 88 ASP 34 C 0.0090 -0.0015 0.0097 89 ASP 34 O 0.0083 -0.0003 0.0129 90 ASP 34 CB 0.0101 -0.0028 0.0053 91 ASP 34 CG 0.0126 -0.0004 0.0027 92 ASP 34 OD1 0.0138 0.0025 0.0041 93 ASP 34 OD2 0.0134 -0.0015 -0.0008 94 ASP 34 H 0.0057 -0.0063 0.0107 95 ASP 34 HA 0.0086 -0.0057 0.0049 96 ASP 34 HB2 0.0096 -0.0049 0.0037 97 ASP 34 HB3 0.0101 -0.0013 0.0075 98 PRO 35 N 0.0093 -0.0015 0.0089 99 PRO 35 CA 0.0104 0.0015 0.0116 100 PRO 35 C 0.0137 0.0059 0.0120 101 PRO 35 O 0.0150 0.0086 0.0141 102 PRO 35 CB 0.0107 0.0005 0.0090 103 PRO 35 CG 0.0119 -0.0010 0.0041 104 PRO 35 CD 0.0102 -0.0031 0.0040 105 PRO 35 HA 0.0085 0.0012 0.0151 106 PRO 35 HB2 0.0126 0.0031 0.0097 107 PRO 35 HB3 0.0083 -0.0019 0.0102 108 PRO 35 HG2 0.0146 0.0015 0.0026 109 PRO 35 HG3 0.0112 -0.0030 0.0021 110 PRO 35 HD2 0.0120 -0.0024 0.0016 111 PRO 35 HD3 0.0080 -0.0063 0.0033 112 ASP 36 N 0.0163 0.0129 0.0088 113 ASP 36 CA 0.0195 0.0256 0.0057 114 ASP 36 C 0.0188 0.0249 0.0096 115 ASP 36 O 0.0204 0.0350 0.0139 116 ASP 36 CB 0.0224 0.0286 -0.0095 117 ASP 36 CG 0.0257 0.0414 -0.0134 118 ASP 36 OD1 0.0277 0.0525 -0.0100 119 ASP 36 OD2 0.0265 0.0404 -0.0202 120 ASP 36 H 0.0154 0.0049 0.0026 121 ASP 36 HA 0.0204 0.0336 0.0117 122 ASP 36 HB2 0.0229 0.0297 -0.0118 123 ASP 36 HB3 0.0214 0.0202 -0.0155 124 LEU 37 N 0.0134 0.0033 0.0066 125 LEU 37 CA 0.0130 0.0018 0.0077 126 LEU 37 C 0.0131 0.0006 0.0116 127 LEU 37 O 0.0127 -0.0010 0.0129 128 LEU 37 CB 0.0116 -0.0012 0.0054 129 LEU 37 CG 0.0114 -0.0003 0.0016 130 LEU 37 CD1 0.0123 0.0020 0.0017 131 LEU 37 CD2 0.0117 0.0013 -0.0008 132 LEU 37 H 0.0127 0.0019 0.0057 133 LEU 37 HA 0.0136 0.0037 0.0074 134 LEU 37 HB2 0.0111 -0.0028 0.0052 135 LEU 37 HB3 0.0113 -0.0026 0.0068 136 LEU 37 HG 0.0105 -0.0026 0.0004 137 LEU 37 HD11 0.0121 0.0026 -0.0010 138 LEU 37 HD12 0.0132 0.0044 0.0029 139 LEU 37 HD13 0.0120 0.0008 0.0032 140 LEU 37 HD21 0.0116 0.0020 -0.0034 141 LEU 37 HD22 0.0111 -0.0004 -0.0010 142 LEU 37 HD23 0.0126 0.0036 0.0004 143 PRO 38 N 0.0141 -0.0037 0.0053 144 PRO 38 CA 0.0134 -0.0036 0.0063 145 PRO 38 C 0.0122 -0.0041 0.0065 146 PRO 38 O 0.0120 -0.0042 0.0065 147 PRO 38 CB 0.0140 -0.0029 0.0073 148 PRO 38 CG 0.0151 -0.0026 0.0068 149 PRO 38 CD 0.0150 -0.0031 0.0056 150 PRO 38 HA 0.0134 -0.0037 0.0061 151 PRO 38 HB2 0.0136 -0.0029 0.0078 152 PRO 38 HB3 0.0140 -0.0027 0.0078 153 PRO 38 HG2 0.0155 -0.0022 0.0073 154 PRO 38 HG3 0.0157 -0.0024 0.0066 155 PRO 38 HD2 0.0149 -0.0031 0.0057 156 PRO 38 HD3 0.0158 -0.0030 0.0050 157 GLY 39 N 0.0077 -0.0042 0.0073 158 GLY 39 CA 0.0076 -0.0049 0.0074 159 GLY 39 C 0.0076 -0.0056 0.0069 160 GLY 39 O 0.0076 -0.0062 0.0068 161 GLY 39 H 0.0076 -0.0040 0.0076 162 GLY 39 HA2 0.0073 -0.0051 0.0080 163 GLY 39 HA3 0.0076 -0.0049 0.0073 164 GLY 40 N 0.0080 -0.0038 0.0106 165 GLY 40 CA 0.0077 -0.0041 0.0097 166 GLY 40 C 0.0076 -0.0043 0.0092 167 GLY 40 O 0.0073 -0.0046 0.0084 168 GLY 40 H 0.0085 -0.0033 0.0107 169 GLY 40 HA2 0.0081 -0.0039 0.0092 170 GLY 40 HA3 0.0072 -0.0046 0.0098 171 GLY 41 N 0.0095 -0.0045 0.0074 172 GLY 41 CA 0.0096 -0.0046 0.0066 173 GLY 41 C 0.0097 -0.0054 0.0065 174 GLY 41 O 0.0099 -0.0057 0.0058 175 GLY 41 H 0.0094 -0.0041 0.0077 176 GLY 41 HA2 0.0096 -0.0041 0.0064 177 GLY 41 HA3 0.0097 -0.0046 0.0062 178 LEU 42 N 0.0064 -0.0059 0.0070 179 LEU 42 CA 0.0064 -0.0045 0.0069 180 LEU 42 C 0.0067 -0.0056 0.0066 181 LEU 42 O 0.0066 -0.0047 0.0067 182 LEU 42 CB 0.0074 -0.0031 0.0056 183 LEU 42 CG 0.0073 -0.0018 0.0057 184 LEU 42 CD1 0.0084 -0.0005 0.0043 185 LEU 42 CD2 0.0061 -0.0006 0.0072 186 LEU 42 H 0.0071 -0.0062 0.0060 187 LEU 42 HA 0.0056 -0.0037 0.0080 188 LEU 42 HB2 0.0083 -0.0039 0.0045 189 LEU 42 HB3 0.0075 -0.0021 0.0055 190 LEU 42 HG 0.0073 -0.0028 0.0057 191 LEU 42 HD11 0.0083 0.0004 0.0044 192 LEU 42 HD12 0.0084 0.0005 0.0042 193 LEU 42 HD13 0.0092 -0.0014 0.0033 194 LEU 42 HD21 0.0061 0.0003 0.0072 195 LEU 42 HD22 0.0061 0.0002 0.0072 196 LEU 42 HD23 0.0054 -0.0016 0.0082 197 HIS 43 N 0.0091 -0.0046 0.0047 198 HIS 43 CA 0.0089 -0.0037 0.0039 199 HIS 43 C 0.0090 -0.0033 0.0037 200 HIS 43 O 0.0083 -0.0035 0.0036 201 HIS 43 CB 0.0078 -0.0035 0.0036 202 HIS 43 CG 0.0075 -0.0040 0.0039 203 HIS 43 ND1 0.0079 -0.0036 0.0037 204 HIS 43 CD2 0.0070 -0.0048 0.0044 205 HIS 43 CE1 0.0075 -0.0041 0.0040 206 HIS 43 NE2 0.0069 -0.0048 0.0044 207 HIS 43 H 0.0087 -0.0050 0.0049 208 HIS 43 HA 0.0096 -0.0033 0.0038 209 HIS 43 HB2 0.0072 -0.0038 0.0037 210 HIS 43 HB3 0.0078 -0.0029 0.0031 211 HIS 43 HD1 0.0083 -0.0030 0.0033 212 HIS 43 HD2 0.0066 -0.0052 0.0047 213 HIS 43 HE1 0.0076 -0.0040 0.0039 214 HIS 43 HE2 0.0067 -0.0054 0.0048 215 ARG 44 N 0.0094 -0.0034 0.0021 216 ARG 44 CA 0.0097 -0.0029 0.0016 217 ARG 44 C 0.0098 -0.0026 0.0012 218 ARG 44 O 0.0100 -0.0030 0.0012 219 ARG 44 CB 0.0101 -0.0031 0.0011 220 ARG 44 CG 0.0101 -0.0036 0.0013 221 ARG 44 CD 0.0106 -0.0039 0.0008 222 ARG 44 NE 0.0106 -0.0044 0.0010 223 ARG 44 CZ 0.0110 -0.0046 0.0007 224 ARG 44 NH1 0.0114 -0.0044 0.0001 225 ARG 44 NH2 0.0110 -0.0050 0.0009 226 ARG 44 H 0.0096 -0.0039 0.0020 227 ARG 44 HA 0.0094 -0.0024 0.0017 228 ARG 44 HB2 0.0104 -0.0034 0.0009 229 ARG 44 HB3 0.0102 -0.0027 0.0008 230 ARG 44 HG2 0.0098 -0.0032 0.0015 231 ARG 44 HG3 0.0100 -0.0040 0.0017 232 ARG 44 HD2 0.0109 -0.0042 0.0006 233 ARG 44 HD3 0.0107 -0.0034 0.0005 234 ARG 44 HE 0.0103 -0.0045 0.0015 235 ARG 44 HH11 0.0115 -0.0041 -0.0001 236 ARG 44 HH12 0.0117 -0.0046 -0.0002 237 ARG 44 HH21 0.0107 -0.0052 0.0013 238 ARG 44 HH22 0.0113 -0.0052 0.0006 239 CYS 45 N 0.0067 -0.0021 0.0007 240 CYS 45 CA 0.0070 -0.0014 0.0011 241 CYS 45 C 0.0078 -0.0015 0.0013 242 CYS 45 O 0.0082 -0.0019 0.0014 243 CYS 45 CB 0.0069 -0.0009 0.0013 244 CYS 45 SG 0.0073 -0.0001 0.0018 245 CYS 45 H 0.0069 -0.0024 0.0006 246 CYS 45 HA 0.0066 -0.0011 0.0011 247 CYS 45 HB2 0.0063 -0.0008 0.0011 248 CYS 45 HB3 0.0071 -0.0012 0.0012 249 LEU 46 N 0.0058 -0.0043 0.0008 250 LEU 46 CA 0.0060 -0.0042 -0.0004 251 LEU 46 C 0.0063 -0.0035 -0.0006 252 LEU 46 O 0.0067 -0.0029 -0.0014 253 LEU 46 CB 0.0056 -0.0053 -0.0009 254 LEU 46 CG 0.0052 -0.0061 -0.0008 255 LEU 46 CD1 0.0048 -0.0072 -0.0012 256 LEU 46 CD2 0.0054 -0.0057 -0.0014 257 LEU 46 H 0.0055 -0.0049 0.0012 258 LEU 46 HA 0.0062 -0.0039 -0.0008 259 LEU 46 HB2 0.0054 -0.0056 -0.0005 260 LEU 46 HB3 0.0057 -0.0053 -0.0018 261 LEU 46 HG 0.0051 -0.0061 0.0001 262 LEU 46 HD11 0.0046 -0.0075 -0.0007 263 LEU 46 HD12 0.0046 -0.0077 -0.0012 264 LEU 46 HD13 0.0049 -0.0071 -0.0021 265 LEU 46 HD21 0.0057 -0.0050 -0.0010 266 LEU 46 HD22 0.0056 -0.0056 -0.0023 267 LEU 46 HD23 0.0052 -0.0063 -0.0013 268 ALA 47 N 0.0034 -0.0040 -0.0016 269 ALA 47 CA 0.0039 -0.0044 -0.0004 270 ALA 47 C 0.0047 -0.0058 -0.0008 271 ALA 47 O 0.0053 -0.0064 0.0002 272 ALA 47 CB 0.0035 -0.0036 -0.0002 273 ALA 47 H 0.0028 -0.0033 -0.0022 274 ALA 47 HA 0.0041 -0.0043 0.0006 275 ALA 47 HB1 0.0039 -0.0038 0.0007 276 ALA 47 HB2 0.0033 -0.0037 -0.0012 277 ALA 47 HB3 0.0029 -0.0025 0.0001 278 CYS 48 N 0.0077 -0.0036 0.0040 279 CYS 48 CA 0.0095 -0.0044 0.0036 280 CYS 48 C 0.0103 -0.0053 0.0018 281 CYS 48 O 0.0120 -0.0060 0.0015 282 CYS 48 CB 0.0093 -0.0044 0.0035 283 CYS 48 SG 0.0088 -0.0035 0.0057 284 CYS 48 H 0.0066 -0.0035 0.0031 285 CYS 48 HA 0.0105 -0.0044 0.0048 286 CYS 48 HB2 0.0082 -0.0043 0.0025 287 CYS 48 HB3 0.0107 -0.0050 0.0032 288 ALA 49 N 0.0108 -0.0046 0.0013 289 ALA 49 CA 0.0112 -0.0044 -0.0003 290 ALA 49 C 0.0121 -0.0042 -0.0006 291 ALA 49 O 0.0129 -0.0039 -0.0017 292 ALA 49 CB 0.0119 -0.0042 -0.0007 293 ALA 49 H 0.0098 -0.0049 0.0016 294 ALA 49 HA 0.0102 -0.0046 -0.0009 295 ALA 49 HB1 0.0129 -0.0040 -0.0001 296 ALA 49 HB2 0.0112 -0.0044 -0.0005 297 ALA 49 HB3 0.0121 -0.0041 -0.0019 298 ARG 50 N 0.0113 -0.0027 -0.0000 299 ARG 50 CA 0.0148 -0.0031 -0.0027 300 ARG 50 C 0.0135 -0.0009 -0.0059 301 ARG 50 O 0.0105 0.0003 -0.0052 302 ARG 50 CB 0.0174 -0.0055 -0.0004 303 ARG 50 CG 0.0191 -0.0079 0.0027 304 ARG 50 CD 0.0216 -0.0102 0.0048 305 ARG 50 NE 0.0232 -0.0125 0.0079 306 ARG 50 CZ 0.0253 -0.0147 0.0104 307 ARG 50 NH1 0.0262 -0.0150 0.0100 308 ARG 50 NH2 0.0266 -0.0167 0.0132 309 ARG 50 H 0.0096 -0.0027 0.0018 310 ARG 50 HA 0.0165 -0.0033 -0.0040 311 ARG 50 HB2 0.0156 -0.0053 0.0010 312 ARG 50 HB3 0.0198 -0.0057 -0.0026 313 ARG 50 HG2 0.0209 -0.0081 0.0013 314 ARG 50 HG3 0.0167 -0.0078 0.0049 315 ARG 50 HD2 0.0198 -0.0099 0.0061 316 ARG 50 HD3 0.0241 -0.0103 0.0025 317 ARG 50 HE 0.0227 -0.0123 0.0081 318 ARG 50 HH11 0.0253 -0.0135 0.0079 319 ARG 50 HH12 0.0278 -0.0166 0.0118 320 ARG 50 HH21 0.0260 -0.0166 0.0135 321 ARG 50 HH22 0.0281 -0.0184 0.0151 322 TYR 51 N 0.0125 -0.0035 0.0027 323 TYR 51 CA 0.0124 -0.0038 0.0028 324 TYR 51 C 0.0123 -0.0037 0.0033 325 TYR 51 O 0.0124 -0.0033 0.0034 326 TYR 51 CB 0.0124 -0.0037 0.0026 327 TYR 51 CG 0.0125 -0.0038 0.0021 328 TYR 51 CD1 0.0126 -0.0035 0.0019 329 TYR 51 CD2 0.0124 -0.0041 0.0019 330 TYR 51 CE1 0.0127 -0.0036 0.0015 331 TYR 51 CE2 0.0124 -0.0042 0.0015 332 TYR 51 CZ 0.0126 -0.0039 0.0013 333 TYR 51 OH 0.0126 -0.0040 0.0009 334 TYR 51 H 0.0126 -0.0033 0.0026 335 TYR 51 HA 0.0122 -0.0041 0.0028 336 TYR 51 HB2 0.0125 -0.0034 0.0026 337 TYR 51 HB3 0.0123 -0.0039 0.0027 338 TYR 51 HD1 0.0127 -0.0032 0.0020 339 TYR 51 HD2 0.0122 -0.0044 0.0021 340 TYR 51 HE1 0.0128 -0.0033 0.0013 341 TYR 51 HE2 0.0123 -0.0045 0.0014 342 TYR 51 HH 0.0127 -0.0038 0.0008 343 PHE 52 N 0.0073 -0.0031 0.0020 344 PHE 52 CA 0.0064 -0.0029 0.0016 345 PHE 52 C 0.0063 -0.0035 0.0023 346 PHE 52 O 0.0072 -0.0037 0.0030 347 PHE 52 CB 0.0069 -0.0021 0.0005 348 PHE 52 CG 0.0071 -0.0016 -0.0003 349 PHE 52 CD1 0.0082 -0.0014 -0.0003 350 PHE 52 CD2 0.0061 -0.0012 -0.0012 351 PHE 52 CE1 0.0083 -0.0009 -0.0011 352 PHE 52 CE2 0.0063 -0.0006 -0.0019 353 PHE 52 CZ 0.0073 -0.0005 -0.0019 354 PHE 52 H 0.0082 -0.0030 0.0022 355 PHE 52 HA 0.0055 -0.0029 0.0014 356 PHE 52 HB2 0.0078 -0.0021 0.0007 357 PHE 52 HB3 0.0062 -0.0020 0.0002 358 PHE 52 HD1 0.0089 -0.0017 0.0004 359 PHE 52 HD2 0.0053 -0.0013 -0.0012 360 PHE 52 HE1 0.0092 -0.0007 -0.0010 361 PHE 52 HE2 0.0055 -0.0003 -0.0026 362 PHE 52 HZ 0.0075 -0.0001 -0.0025 363 ILE 53 N 0.0056 -0.0023 0.0015 364 ILE 53 CA 0.0045 -0.0036 0.0013 365 ILE 53 C 0.0042 -0.0027 0.0010 366 ILE 53 O 0.0040 -0.0038 0.0011 367 ILE 53 CB 0.0026 -0.0043 0.0006 368 ILE 53 CG1 0.0016 -0.0024 -0.0003 369 ILE 53 CG2 0.0028 -0.0056 0.0011 370 ILE 53 CD1 -0.0003 -0.0029 -0.0011 371 ILE 53 H 0.0050 -0.0019 0.0012 372 ILE 53 HA 0.0051 -0.0049 0.0020 373 ILE 53 HB 0.0017 -0.0051 0.0005 374 ILE 53 HG12 0.0024 -0.0015 -0.0002 375 ILE 53 HG13 0.0014 -0.0016 -0.0006 376 ILE 53 HG21 0.0037 -0.0048 0.0013 377 ILE 53 HG22 0.0034 -0.0069 0.0017 378 ILE 53 HG23 0.0014 -0.0060 0.0006 379 ILE 53 HD11 -0.0012 -0.0038 -0.0013 380 ILE 53 HD12 -0.0009 -0.0016 -0.0018 381 ILE 53 HD13 -0.0002 -0.0038 -0.0008 382 ASP 54 N 0.0015 -0.0032 -0.0003 383 ASP 54 CA 0.0005 -0.0022 -0.0007 384 ASP 54 C 0.0015 0.0002 -0.0003 385 ASP 54 O 0.0023 0.0013 0.0000 386 ASP 54 CB -0.0019 -0.0020 -0.0016 387 ASP 54 CG -0.0031 -0.0011 -0.0021 388 ASP 54 OD1 -0.0037 -0.0024 -0.0023 389 ASP 54 OD2 -0.0036 0.0010 -0.0023 390 ASP 54 H 0.0020 -0.0021 -0.0001 391 ASP 54 HA 0.0008 -0.0033 -0.0005 392 ASP 54 HB2 -0.0026 -0.0036 -0.0019 393 ASP 54 HB3 -0.0022 -0.0008 -0.0018 394 SER 55 N -0.0004 0.0004 -0.0016 395 SER 55 CA 0.0004 0.0024 -0.0014 396 SER 55 C -0.0005 0.0038 -0.0022 397 SER 55 O 0.0003 0.0052 -0.0019 398 SER 55 CB 0.0004 0.0030 -0.0015 399 SER 55 OG 0.0011 0.0050 -0.0013 400 SER 55 H -0.0009 -0.0002 -0.0019 401 SER 55 HA 0.0016 0.0023 -0.0006 402 SER 55 HB2 0.0012 0.0021 -0.0008 403 SER 55 HB3 -0.0008 0.0029 -0.0022 404 SER 55 HG 0.0003 0.0059 -0.0020 405 THR 56 N -0.0027 0.0046 -0.0036 406 THR 56 CA -0.0036 0.0058 -0.0041 407 THR 56 C -0.0027 0.0055 -0.0035 408 THR 56 O -0.0025 0.0070 -0.0033 409 THR 56 CB -0.0053 0.0051 -0.0055 410 THR 56 OG1 -0.0061 0.0051 -0.0060 411 THR 56 CG2 -0.0064 0.0066 -0.0061 412 THR 56 H -0.0033 0.0034 -0.0041 413 THR 56 HA -0.0036 0.0073 -0.0040 414 THR 56 HB -0.0053 0.0036 -0.0055 415 THR 56 HG1 -0.0057 0.0038 -0.0058 416 THR 56 HG21 -0.0076 0.0060 -0.0070 417 THR 56 HG22 -0.0064 0.0081 -0.0060 418 THR 56 HG23 -0.0058 0.0066 -0.0057 419 ASN 57 N -0.0008 0.0033 -0.0034 420 ASN 57 CA -0.0001 0.0032 -0.0031 421 ASN 57 C 0.0013 0.0040 -0.0023 422 ASN 57 O 0.0017 0.0047 -0.0021 423 ASN 57 CB 0.0000 0.0016 -0.0031 424 ASN 57 CG -0.0012 0.0010 -0.0037 425 ASN 57 OD1 -0.0013 0.0011 -0.0038 426 ASN 57 ND2 -0.0021 0.0004 -0.0043 427 ASN 57 H -0.0009 0.0024 -0.0035 428 ASN 57 HA -0.0007 0.0039 -0.0033 429 ASN 57 HB2 0.0002 0.0009 -0.0030 430 ASN 57 HB3 0.0009 0.0014 -0.0026 431 ASN 57 HD21 -0.0020 0.0002 -0.0042 432 ASN 57 HD22 -0.0029 -0.0000 -0.0047 433 LEU 58 N 0.0010 0.0021 -0.0018 434 LEU 58 CA 0.0022 0.0026 -0.0015 435 LEU 58 C 0.0022 0.0039 -0.0016 436 LEU 58 O 0.0028 0.0046 -0.0015 437 LEU 58 CB 0.0028 0.0018 -0.0012 438 LEU 58 CG 0.0040 0.0022 -0.0009 439 LEU 58 CD1 0.0039 0.0031 -0.0010 440 LEU 58 CD2 0.0048 0.0026 -0.0007 441 LEU 58 H 0.0007 0.0015 -0.0018 442 LEU 58 HA 0.0026 0.0025 -0.0014 443 LEU 58 HB2 0.0029 0.0009 -0.0011 444 LEU 58 HB3 0.0022 0.0016 -0.0014 445 LEU 58 HG 0.0044 0.0014 -0.0007 446 LEU 58 HD11 0.0048 0.0033 -0.0008 447 LEU 58 HD12 0.0035 0.0038 -0.0012 448 LEU 58 HD13 0.0034 0.0027 -0.0011 449 LEU 58 HD21 0.0044 0.0034 -0.0009 450 LEU 58 HD22 0.0056 0.0029 -0.0005 451 LEU 58 HD23 0.0048 0.0019 -0.0007 452 LYS 59 N -0.0013 0.0068 -0.0036 453 LYS 59 CA -0.0022 0.0074 -0.0024 454 LYS 59 C -0.0018 0.0085 -0.0011 455 LYS 59 O -0.0017 0.0093 -0.0001 456 LYS 59 CB -0.0040 0.0069 -0.0024 457 LYS 59 CG -0.0048 0.0067 -0.0024 458 LYS 59 CD -0.0066 0.0061 -0.0024 459 LYS 59 CE -0.0076 0.0067 -0.0012 460 LYS 59 NZ -0.0076 0.0077 0.0000 461 LYS 59 H -0.0018 0.0061 -0.0043 462 LYS 59 HA -0.0018 0.0076 -0.0024 463 LYS 59 HB2 -0.0046 0.0074 -0.0015 464 LYS 59 HB3 -0.0043 0.0062 -0.0033 465 LYS 59 HG2 -0.0042 0.0063 -0.0032 466 LYS 59 HG3 -0.0047 0.0074 -0.0014 467 LYS 59 HD2 -0.0067 0.0054 -0.0033 468 LYS 59 HD3 -0.0071 0.0059 -0.0026 469 LYS 59 HE2 -0.0071 0.0070 -0.0011 470 LYS 59 HE3 -0.0088 0.0063 -0.0014 471 LYS 59 HZ1 -0.0082 0.0075 -0.0001 472 LYS 59 HZ2 -0.0083 0.0081 0.0008 473 LYS 59 HZ3 -0.0065 0.0082 0.0002 474 THR 60 N -0.0030 0.0071 -0.0028 475 THR 60 CA -0.0024 0.0085 -0.0014 476 THR 60 C -0.0012 0.0096 -0.0021 477 THR 60 O -0.0008 0.0105 -0.0011 478 THR 60 CB -0.0020 0.0092 -0.0008 479 THR 60 OG1 -0.0032 0.0082 -0.0001 480 THR 60 CG2 -0.0014 0.0107 0.0007 481 THR 60 H -0.0031 0.0068 -0.0033 482 THR 60 HA -0.0031 0.0082 -0.0003 483 THR 60 HB -0.0014 0.0094 -0.0020 484 THR 60 HG1 -0.0035 0.0074 -0.0011 485 THR 60 HG21 -0.0011 0.0111 0.0011 486 THR 60 HG22 -0.0021 0.0104 0.0019 487 THR 60 HG23 -0.0005 0.0114 0.0002 488 HIS 61 N -0.0009 0.0059 -0.0038 489 HIS 61 CA 0.0001 0.0057 -0.0029 490 HIS 61 C 0.0007 0.0071 -0.0022 491 HIS 61 O 0.0013 0.0073 -0.0016 492 HIS 61 CB 0.0008 0.0044 -0.0024 493 HIS 61 CG 0.0020 0.0045 -0.0013 494 HIS 61 ND1 0.0025 0.0041 -0.0009 495 HIS 61 CD2 0.0028 0.0049 -0.0005 496 HIS 61 CE1 0.0035 0.0043 0.0001 497 HIS 61 NE2 0.0037 0.0048 0.0003 498 HIS 61 H -0.0011 0.0054 -0.0040 499 HIS 61 HA -0.0000 0.0054 -0.0031 500 HIS 61 HB2 0.0006 0.0034 -0.0027 501 HIS 61 HB3 0.0007 0.0045 -0.0025 502 HIS 61 HD1 0.0022 0.0037 -0.0012 503 HIS 61 HD2 0.0027 0.0052 -0.0006 504 HIS 61 HE1 0.0042 0.0043 0.0007 505 PHE 62 N -0.0035 0.0038 -0.0046 506 PHE 62 CA -0.0028 0.0047 -0.0045 507 PHE 62 C -0.0032 0.0056 -0.0052 508 PHE 62 O -0.0028 0.0065 -0.0053 509 PHE 62 CB -0.0022 0.0051 -0.0043 510 PHE 62 CG -0.0018 0.0043 -0.0036 511 PHE 62 CD1 -0.0013 0.0037 -0.0030 512 PHE 62 CD2 -0.0019 0.0041 -0.0036 513 PHE 62 CE1 -0.0009 0.0030 -0.0024 514 PHE 62 CE2 -0.0016 0.0033 -0.0030 515 PHE 62 CZ -0.0011 0.0028 -0.0025 516 PHE 62 H -0.0037 0.0036 -0.0047 517 PHE 62 HA -0.0024 0.0046 -0.0042 518 PHE 62 HB2 -0.0025 0.0054 -0.0046 519 PHE 62 HB3 -0.0016 0.0057 -0.0041 520 PHE 62 HD1 -0.0012 0.0039 -0.0030 521 PHE 62 HD2 -0.0023 0.0045 -0.0041 522 PHE 62 HE1 -0.0005 0.0026 -0.0020 523 PHE 62 HE2 -0.0017 0.0032 -0.0031 524 PHE 62 HZ -0.0008 0.0022 -0.0020 525 ARG 63 N -0.0056 0.0084 -0.0102 526 ARG 63 CA -0.0055 0.0082 -0.0048 527 ARG 63 C -0.0041 0.0118 -0.0060 528 ARG 63 O -0.0037 0.0124 -0.0019 529 ARG 63 CB -0.0045 0.0099 0.0010 530 ARG 63 CG -0.0061 0.0057 0.0030 531 ARG 63 CD -0.0051 0.0075 0.0088 532 ARG 63 NE -0.0046 0.0082 0.0140 533 ARG 63 CZ -0.0040 0.0089 0.0199 534 ARG 63 NH1 -0.0040 0.0087 0.0215 535 ARG 63 NH2 -0.0035 0.0098 0.0241 536 ARG 63 H -0.0047 0.0107 -0.0101 537 ARG 63 HA -0.0072 0.0038 -0.0044 538 ARG 63 HB2 -0.0029 0.0141 0.0003 539 ARG 63 HB3 -0.0042 0.0101 0.0047 540 ARG 63 HG2 -0.0077 0.0015 0.0038 541 ARG 63 HG3 -0.0064 0.0053 -0.0007 542 ARG 63 HD2 -0.0063 0.0043 0.0101 543 ARG 63 HD3 -0.0035 0.0116 0.0079 544 ARG 63 HE -0.0046 0.0082 0.0129 545 ARG 63 HH11 -0.0045 0.0080 0.0184 546 ARG 63 HH12 -0.0036 0.0092 0.0259 547 ARG 63 HH21 -0.0035 0.0099 0.0230 548 ARG 63 HH22 -0.0031 0.0103 0.0286 549 SER 64 N -0.0058 0.0030 -0.0050 550 SER 64 CA -0.0060 0.0025 -0.0047 551 SER 64 C -0.0064 0.0026 -0.0044 552 SER 64 O -0.0067 0.0029 -0.0042 553 SER 64 CB -0.0062 0.0025 -0.0045 554 SER 64 OG -0.0058 0.0026 -0.0048 555 SER 64 H -0.0059 0.0033 -0.0050 556 SER 64 HA -0.0057 0.0021 -0.0048 557 SER 64 HB2 -0.0065 0.0028 -0.0044 558 SER 64 HB3 -0.0062 0.0021 -0.0043 559 SER 64 HG -0.0056 0.0023 -0.0049 560 LYS 65 N -0.0117 0.0010 -0.0055 561 LYS 65 CA -0.0092 0.0043 -0.0051 562 LYS 65 C -0.0076 0.0039 -0.0022 563 LYS 65 O -0.0051 0.0059 -0.0005 564 LYS 65 CB -0.0097 0.0069 -0.0086 565 LYS 65 CG -0.0119 0.0057 -0.0107 566 LYS 65 CD -0.0113 0.0049 -0.0089 567 LYS 65 CE -0.0135 0.0037 -0.0111 568 LYS 65 NZ -0.0130 0.0027 -0.0093 569 LYS 65 H -0.0135 0.0005 -0.0077 570 LYS 65 HA -0.0080 0.0052 -0.0043 571 LYS 65 HB2 -0.0079 0.0090 -0.0080 572 LYS 65 HB3 -0.0102 0.0077 -0.0102 573 LYS 65 HG2 -0.0121 0.0077 -0.0131 574 LYS 65 HG3 -0.0138 0.0035 -0.0112 575 LYS 65 HD2 -0.0111 0.0029 -0.0065 576 LYS 65 HD3 -0.0094 0.0071 -0.0084 577 LYS 65 HE2 -0.0136 0.0058 -0.0134 578 LYS 65 HE3 -0.0154 0.0016 -0.0117 579 LYS 65 HZ1 -0.0112 0.0047 -0.0086 580 LYS 65 HZ2 -0.0130 0.0007 -0.0071 581 LYS 65 HZ3 -0.0146 0.0020 -0.0109 582 ASP 66 N -0.0074 0.0009 -0.0009 583 ASP 66 CA -0.0041 0.0002 0.0032 584 ASP 66 C -0.0031 -0.0012 0.0031 585 ASP 66 O -0.0014 -0.0004 0.0065 586 ASP 66 CB -0.0011 -0.0030 0.0040 587 ASP 66 CG 0.0022 -0.0033 0.0086 588 ASP 66 OD1 0.0026 -0.0008 0.0115 589 ASP 66 OD2 0.0045 -0.0059 0.0092 590 ASP 66 H -0.0074 -0.0011 -0.0029 591 ASP 66 HA -0.0044 0.0033 0.0057 592 ASP 66 HB2 -0.0021 -0.0022 0.0035 593 ASP 66 HB3 -0.0006 -0.0061 0.0017 594 HIS 67 N -0.0014 -0.0002 0.0003 595 HIS 67 CA -0.0014 -0.0003 0.0002 596 HIS 67 C -0.0019 0.0007 0.0004 597 HIS 67 O -0.0018 0.0008 0.0011 598 HIS 67 CB -0.0015 -0.0006 -0.0010 599 HIS 67 CG -0.0014 -0.0008 -0.0012 600 HIS 67 ND1 -0.0010 -0.0011 -0.0005 601 HIS 67 CD2 -0.0016 -0.0010 -0.0022 602 HIS 67 CE1 -0.0009 -0.0015 -0.0010 603 HIS 67 NE2 -0.0012 -0.0015 -0.0020 604 HIS 67 H -0.0015 -0.0004 -0.0003 605 HIS 67 HA -0.0010 -0.0007 0.0007 606 HIS 67 HB2 -0.0011 -0.0014 -0.0013 607 HIS 67 HB3 -0.0019 -0.0002 -0.0015 608 HIS 67 HD1 -0.0009 -0.0011 0.0003 609 HIS 67 HD2 -0.0020 -0.0007 -0.0028 610 HIS 67 HE1 -0.0006 -0.0018 -0.0006 611 LYS 68 N -0.0067 -0.0004 -0.0021 612 LYS 68 CA -0.0075 0.0006 -0.0020 613 LYS 68 C -0.0073 0.0015 -0.0005 614 LYS 68 O -0.0076 0.0021 -0.0000 615 LYS 68 CB -0.0086 0.0012 -0.0030 616 LYS 68 CG -0.0087 0.0003 -0.0045 617 LYS 68 CD -0.0098 0.0009 -0.0054 618 LYS 68 CE -0.0100 0.0014 -0.0050 619 LYS 68 NZ -0.0110 0.0020 -0.0060 620 LYS 68 H -0.0069 -0.0005 -0.0026 621 LYS 68 HA -0.0074 0.0003 -0.0022 622 LYS 68 HB2 -0.0087 0.0016 -0.0027 623 LYS 68 HB3 -0.0092 0.0019 -0.0030 624 LYS 68 HG2 -0.0085 -0.0002 -0.0048 625 LYS 68 HG3 -0.0081 -0.0005 -0.0045 626 LYS 68 HD2 -0.0104 0.0017 -0.0054 627 LYS 68 HD3 -0.0099 0.0003 -0.0064 628 LYS 68 HE2 -0.0094 0.0006 -0.0050 629 LYS 68 HE3 -0.0100 0.0021 -0.0040 630 LYS 68 HZ1 -0.0117 0.0027 -0.0060 631 LYS 68 HZ2 -0.0111 0.0022 -0.0057 632 LYS 68 HZ3 -0.0111 0.0013 -0.0070 633 LYS 69 N -0.0108 0.0012 0.0012 634 LYS 69 CA -0.0094 0.0032 0.0055 635 LYS 69 C -0.0057 0.0022 0.0037 636 LYS 69 O -0.0067 0.0028 0.0050 637 LYS 69 CB -0.0063 0.0048 0.0093 638 LYS 69 CG -0.0029 0.0066 0.0135 639 LYS 69 CD 0.0003 0.0078 0.0164 640 LYS 69 CE 0.0043 0.0095 0.0205 641 LYS 69 NZ 0.0074 0.0105 0.0229 642 LYS 69 H -0.0098 0.0013 0.0014 643 LYS 69 HA -0.0133 0.0041 0.0072 644 LYS 69 HB2 -0.0093 0.0058 0.0112 645 LYS 69 HB3 -0.0034 0.0037 0.0072 646 LYS 69 HG2 -0.0002 0.0055 0.0115 647 LYS 69 HG3 -0.0057 0.0079 0.0160 648 LYS 69 HD2 -0.0027 0.0087 0.0181 649 LYS 69 HD3 0.0028 0.0064 0.0136 650 LYS 69 HE2 0.0072 0.0086 0.0189 651 LYS 69 HE3 0.0019 0.0110 0.0235 652 LYS 69 HZ1 0.0104 0.0117 0.0257 653 LYS 69 HZ2 0.0097 0.0090 0.0200 654 LYS 69 HZ3 0.0046 0.0113 0.0244 655 ARG 70 N -0.0033 -0.0001 0.0045 656 ARG 70 CA -0.0018 -0.0007 0.0043 657 ARG 70 C -0.0031 -0.0008 0.0030 658 ARG 70 O -0.0027 -0.0007 0.0034 659 ARG 70 CB 0.0004 -0.0019 0.0032 660 ARG 70 CG 0.0022 -0.0025 0.0032 661 ARG 70 CD 0.0031 -0.0017 0.0056 662 ARG 70 NE 0.0047 -0.0023 0.0057 663 ARG 70 CZ 0.0050 -0.0017 0.0073 664 ARG 70 NH1 0.0037 -0.0005 0.0090 665 ARG 70 NH2 0.0066 -0.0022 0.0072 666 ARG 70 H -0.0030 -0.0005 0.0037 667 ARG 70 HA -0.0012 -0.0001 0.0061 668 ARG 70 HB2 0.0012 -0.0018 0.0040 669 ARG 70 HB3 -0.0002 -0.0024 0.0015 670 ARG 70 HG2 0.0037 -0.0033 0.0024 671 ARG 70 HG3 0.0014 -0.0027 0.0022 672 ARG 70 HD2 0.0016 -0.0009 0.0064 673 ARG 70 HD3 0.0039 -0.0016 0.0066 674 ARG 70 HE 0.0057 -0.0032 0.0044 675 ARG 70 HH11 0.0025 0.0000 0.0092 676 ARG 70 HH12 0.0038 0.0000 0.0102 677 ARG 70 HH21 0.0076 -0.0031 0.0059 678 ARG 70 HH22 0.0068 -0.0018 0.0083 679 LEU 71 N -0.0036 -0.0023 0.0023 680 LEU 71 CA -0.0045 -0.0022 0.0014 681 LEU 71 C -0.0055 -0.0020 0.0021 682 LEU 71 O -0.0060 -0.0019 0.0017 683 LEU 71 CB -0.0049 -0.0022 0.0006 684 LEU 71 CG -0.0039 -0.0024 -0.0001 685 LEU 71 CD1 -0.0045 -0.0024 -0.0009 686 LEU 71 CD2 -0.0032 -0.0026 -0.0008 687 LEU 71 H -0.0035 -0.0023 0.0023 688 LEU 71 HA -0.0041 -0.0023 0.0009 689 LEU 71 HB2 -0.0053 -0.0021 0.0012 690 LEU 71 HB3 -0.0055 -0.0022 0.0000 691 LEU 71 HG -0.0033 -0.0025 0.0005 692 LEU 71 HD11 -0.0051 -0.0024 -0.0016 693 LEU 71 HD12 -0.0050 -0.0023 -0.0004 694 LEU 71 HD13 -0.0038 -0.0026 -0.0014 695 LEU 71 HD21 -0.0027 -0.0026 -0.0002 696 LEU 71 HD22 -0.0038 -0.0026 -0.0014 697 LEU 71 HD23 -0.0026 -0.0028 -0.0013 698 LYS 72 N -0.0088 -0.0015 0.0037 699 LYS 72 CA -0.0077 -0.0027 0.0025 700 LYS 72 C -0.0110 -0.0037 0.0021 701 LYS 72 O -0.0110 -0.0034 0.0023 702 LYS 72 CB -0.0056 -0.0051 0.0000 703 LYS 72 CG -0.0042 -0.0066 -0.0014 704 LYS 72 CD -0.0019 -0.0088 -0.0037 705 LYS 72 CE -0.0005 -0.0102 -0.0052 706 LYS 72 NZ 0.0018 -0.0123 -0.0074 707 LYS 72 H -0.0083 -0.0022 0.0030 708 LYS 72 HA -0.0061 -0.0013 0.0035 709 LYS 72 HB2 -0.0033 -0.0044 0.0004 710 LYS 72 HB3 -0.0073 -0.0065 -0.0010 711 LYS 72 HG2 -0.0065 -0.0075 -0.0019 712 LYS 72 HG3 -0.0026 -0.0052 -0.0004 713 LYS 72 HD2 0.0003 -0.0079 -0.0032 714 LYS 72 HD3 -0.0035 -0.0102 -0.0048 715 LYS 72 HE2 -0.0028 -0.0112 -0.0057 716 LYS 72 HE3 0.0010 -0.0088 -0.0041 717 LYS 72 HZ1 0.0005 -0.0138 -0.0085 718 LYS 72 HZ2 0.0040 -0.0115 -0.0069 719 LYS 72 HZ3 0.0028 -0.0133 -0.0083 720 GLN 73 N -0.0075 -0.0027 0.0041 721 GLN 73 CA -0.0060 -0.0022 0.0043 722 GLN 73 C -0.0054 -0.0030 0.0021 723 GLN 73 O -0.0053 -0.0031 0.0019 724 GLN 73 CB -0.0039 -0.0013 0.0052 725 GLN 73 CG -0.0043 -0.0004 0.0075 726 GLN 73 CD -0.0022 0.0006 0.0083 727 GLN 73 OE1 -0.0006 0.0004 0.0072 728 GLN 73 NE2 -0.0021 0.0015 0.0104 729 GLN 73 H -0.0070 -0.0024 0.0044 730 GLN 73 HA -0.0069 -0.0020 0.0053 731 GLN 73 HB2 -0.0031 -0.0015 0.0043 732 GLN 73 HB3 -0.0028 -0.0010 0.0053 733 GLN 73 HG2 -0.0051 -0.0001 0.0085 734 GLN 73 HG3 -0.0054 -0.0007 0.0074 735 GLN 73 HE21 -0.0035 0.0015 0.0112 736 GLN 73 HE22 -0.0008 0.0021 0.0110 737 LEU 74 N -0.0051 -0.0029 0.0046 738 LEU 74 CA -0.0048 -0.0031 0.0030 739 LEU 74 C -0.0067 -0.0031 0.0020 740 LEU 74 O -0.0068 -0.0033 0.0008 741 LEU 74 CB -0.0034 -0.0034 0.0016 742 LEU 74 CG -0.0027 -0.0037 -0.0001 743 LEU 74 CD1 -0.0018 -0.0037 0.0006 744 LEU 74 CD2 -0.0013 -0.0040 -0.0013 745 LEU 74 H -0.0048 -0.0029 0.0045 746 LEU 74 HA -0.0042 -0.0031 0.0035 747 LEU 74 HB2 -0.0021 -0.0034 0.0024 748 LEU 74 HB3 -0.0041 -0.0035 0.0011 749 LEU 74 HG -0.0039 -0.0038 -0.0009 750 LEU 74 HD11 -0.0013 -0.0039 -0.0006 751 LEU 74 HD12 -0.0005 -0.0037 0.0015 752 LEU 74 HD13 -0.0028 -0.0035 0.0014 753 LEU 74 HD21 -0.0001 -0.0040 -0.0005 754 LEU 74 HD22 -0.0009 -0.0042 -0.0025 755 LEU 74 HD23 -0.0020 -0.0040 -0.0018 756 SER 75 N -0.0091 -0.0037 0.0032 757 SER 75 CA -0.0105 -0.0028 0.0025 758 SER 75 C -0.0098 -0.0012 0.0009 759 SER 75 O -0.0111 -0.0001 0.0000 760 SER 75 CB -0.0129 -0.0027 0.0028 761 SER 75 OG -0.0143 -0.0019 0.0023 762 SER 75 H -0.0081 -0.0045 0.0038 763 SER 75 HA -0.0104 -0.0034 0.0031 764 SER 75 HB2 -0.0133 -0.0039 0.0040 765 SER 75 HB3 -0.0130 -0.0021 0.0023 766 SER 75 HG -0.0155 -0.0026 0.0031 767 VAL 76 N -0.0055 -0.0038 0.0018 768 VAL 76 CA -0.0053 -0.0037 0.0008 769 VAL 76 C -0.0061 -0.0035 0.0005 770 VAL 76 O -0.0067 -0.0033 -0.0002 771 VAL 76 CB -0.0043 -0.0040 0.0005 772 VAL 76 CG1 -0.0042 -0.0039 -0.0005 773 VAL 76 CG2 -0.0036 -0.0042 0.0008 774 VAL 76 H -0.0050 -0.0040 0.0023 775 VAL 76 HA -0.0054 -0.0037 0.0004 776 VAL 76 HB -0.0043 -0.0040 0.0010 777 VAL 76 HG11 -0.0035 -0.0041 -0.0007 778 VAL 76 HG12 -0.0043 -0.0038 -0.0010 779 VAL 76 HG13 -0.0048 -0.0037 -0.0007 780 VAL 76 HG21 -0.0029 -0.0044 0.0007 781 VAL 76 HG22 -0.0036 -0.0043 0.0016 782 VAL 76 HG23 -0.0036 -0.0042 0.0004 783 GLU 77 N -0.0075 -0.0023 0.0008 784 GLU 77 CA -0.0074 -0.0017 0.0003 785 GLU 77 C -0.0074 -0.0013 -0.0001 786 GLU 77 O -0.0075 -0.0017 -0.0007 787 GLU 77 CB -0.0075 -0.0019 -0.0004 788 GLU 77 CG -0.0077 -0.0027 -0.0008 789 GLU 77 CD -0.0078 -0.0029 -0.0015 790 GLU 77 OE1 -0.0079 -0.0031 -0.0013 791 GLU 77 OE2 -0.0078 -0.0028 -0.0022 792 GLU 77 H -0.0076 -0.0027 0.0007 793 GLU 77 HA -0.0073 -0.0012 0.0006 794 GLU 77 HB2 -0.0074 -0.0015 -0.0008 795 GLU 77 HB3 -0.0075 -0.0020 -0.0001 796 GLU 77 HG2 -0.0078 -0.0032 -0.0004 797 GLU 77 HG3 -0.0077 -0.0026 -0.0011 798 PRO 78 N -0.0046 -0.0000 0.0006 799 PRO 78 CA -0.0035 -0.0008 -0.0013 800 PRO 78 C -0.0011 0.0000 -0.0029 801 PRO 78 O 0.0002 0.0021 -0.0022 802 PRO 78 CB -0.0035 0.0004 -0.0002 803 PRO 78 CG -0.0052 0.0012 0.0023 804 PRO 78 CD -0.0052 0.0016 0.0028 805 PRO 78 HA -0.0044 -0.0027 -0.0022 806 PRO 78 HB2 -0.0018 0.0019 -0.0004 807 PRO 78 HB3 -0.0039 -0.0008 -0.0009 808 PRO 78 HG2 -0.0047 0.0027 0.0033 809 PRO 78 HG3 -0.0068 -0.0002 0.0027 810 PRO 78 HD2 -0.0039 0.0034 0.0032 811 PRO 78 HD3 -0.0069 0.0013 0.0041 812 TYR 79 N 0.0023 -0.0030 -0.0086 813 TYR 79 CA 0.0023 -0.0025 -0.0105 814 TYR 79 C -0.0030 -0.0051 -0.0053 815 TYR 79 O -0.0005 -0.0063 0.0011 816 TYR 79 CB 0.0105 -0.0006 -0.0107 817 TYR 79 CG 0.0154 0.0022 -0.0167 818 TYR 79 CD1 0.0200 0.0027 -0.0151 819 TYR 79 CD2 0.0153 0.0041 -0.0241 820 TYR 79 CE1 0.0244 0.0052 -0.0206 821 TYR 79 CE2 0.0196 0.0066 -0.0297 822 TYR 79 CZ 0.0242 0.0072 -0.0280 823 TYR 79 OH 0.0285 0.0097 -0.0336 824 TYR 79 H -0.0003 -0.0026 -0.0123 825 TYR 79 HA -0.0006 -0.0016 -0.0163 826 TYR 79 HB2 0.0136 -0.0014 -0.0051 827 TYR 79 HB3 0.0099 -0.0004 -0.0118 828 TYR 79 HD1 0.0202 0.0012 -0.0094 829 TYR 79 HD2 0.0117 0.0037 -0.0255 830 TYR 79 HE1 0.0279 0.0056 -0.0192 831 TYR 79 HE2 0.0195 0.0082 -0.0355 832 TYR 79 HH 0.0250 0.0101 -0.0381 833 SER 80 N -0.0101 -0.0015 -0.0066 834 SER 80 CA -0.0114 -0.0019 -0.0056 835 SER 80 C -0.0121 -0.0018 -0.0057 836 SER 80 O -0.0114 -0.0015 -0.0063 837 SER 80 CB -0.0125 -0.0016 -0.0060 838 SER 80 OG -0.0138 -0.0020 -0.0050 839 SER 80 H -0.0104 -0.0009 -0.0076 840 SER 80 HA -0.0109 -0.0024 -0.0046 841 SER 80 HB2 -0.0120 -0.0016 -0.0060 842 SER 80 HB3 -0.0130 -0.0010 -0.0069 843 SER 80 HG -0.0134 -0.0024 -0.0042 844 GLN 81 N -0.0140 -0.0011 -0.0064 845 GLN 81 CA -0.0132 -0.0011 -0.0048 846 GLN 81 C -0.0131 -0.0015 -0.0047 847 GLN 81 O -0.0137 -0.0012 -0.0057 848 GLN 81 CB -0.0132 0.0005 -0.0040 849 GLN 81 CG -0.0124 0.0005 -0.0023 850 GLN 81 CD -0.0123 0.0022 -0.0014 851 GLN 81 OE1 -0.0129 0.0034 -0.0019 852 GLN 81 NE2 -0.0117 0.0022 -0.0000 853 GLN 81 H -0.0145 -0.0001 -0.0069 854 GLN 81 HA -0.0128 -0.0020 -0.0044 855 GLN 81 HB2 -0.0134 0.0009 -0.0042 856 GLN 81 HB3 -0.0136 0.0014 -0.0044 857 GLN 81 HG2 -0.0122 0.0001 -0.0021 858 GLN 81 HG3 -0.0120 -0.0003 -0.0019 859 GLN 81 HE21 -0.0113 0.0011 0.0003 860 GLN 81 HE22 -0.0116 0.0032 0.0006 861 GLU 82 N -0.0135 0.0003 -0.0086 862 GLU 82 CA -0.0133 -0.0001 -0.0083 863 GLU 82 C -0.0132 -0.0019 -0.0095 864 GLU 82 O -0.0130 -0.0026 -0.0094 865 GLU 82 CB -0.0138 0.0018 -0.0086 866 GLU 82 CG -0.0137 0.0016 -0.0082 867 GLU 82 CD -0.0142 0.0036 -0.0084 868 GLU 82 OE1 -0.0148 0.0041 -0.0101 869 GLU 82 OE2 -0.0140 0.0046 -0.0069 870 GLU 82 H -0.0131 -0.0002 -0.0076 871 GLU 82 HA -0.0128 -0.0004 -0.0067 872 GLU 82 HB2 -0.0138 0.0030 -0.0076 873 GLU 82 HB3 -0.0144 0.0022 -0.0101 874 GLU 82 HG2 -0.0137 0.0005 -0.0092 875 GLU 82 HG3 -0.0131 0.0012 -0.0067 876 GLU 83 N -0.0137 -0.0016 -0.0133 877 GLU 83 CA -0.0084 -0.0021 -0.0174 878 GLU 83 C -0.0034 -0.0059 -0.0142 879 GLU 83 O -0.0006 -0.0068 -0.0150 880 GLU 83 CB -0.0073 -0.0009 -0.0212 881 GLU 83 CG -0.0017 -0.0013 -0.0256 882 GLU 83 CD -0.0013 0.0003 -0.0296 883 GLU 83 OE1 0.0001 -0.0011 -0.0279 884 GLU 83 OE2 -0.0023 0.0031 -0.0346 885 GLU 83 H -0.0139 -0.0030 -0.0101 886 GLU 83 HA -0.0088 -0.0006 -0.0201 887 GLU 83 HB2 -0.0109 0.0019 -0.0234 888 GLU 83 HB3 -0.0071 -0.0022 -0.0184 889 GLU 83 HG2 0.0019 -0.0041 -0.0234 890 GLU 83 HG3 -0.0017 -0.0002 -0.0281 891 ALA 84 N -0.0072 -0.0043 -0.0122 892 ALA 84 CA -0.0045 -0.0065 -0.0102 893 ALA 84 C -0.0067 -0.0081 -0.0071 894 ALA 84 O -0.0052 -0.0103 -0.0047 895 ALA 84 CB -0.0018 -0.0077 -0.0096 896 ALA 84 H -0.0082 -0.0043 -0.0117 897 ALA 84 HA -0.0030 -0.0060 -0.0116 898 ALA 84 HB1 0.0001 -0.0094 -0.0081 899 ALA 84 HB2 -0.0034 -0.0082 -0.0084 900 ALA 84 HB3 -0.0002 -0.0066 -0.0118 901 GLU 85 N -0.0096 -0.0065 -0.0065 902 GLU 85 CA -0.0093 -0.0055 -0.0038 903 GLU 85 C -0.0097 -0.0047 -0.0035 904 GLU 85 O -0.0110 -0.0028 -0.0040 905 GLU 85 CB -0.0103 -0.0035 -0.0031 906 GLU 85 CG -0.0098 -0.0027 -0.0003 907 GLU 85 CD -0.0102 -0.0012 0.0011 908 GLU 85 OE1 -0.0115 0.0010 0.0011 909 GLU 85 OE2 -0.0092 -0.0022 0.0022 910 GLU 85 H -0.0101 -0.0063 -0.0075 911 GLU 85 HA -0.0080 -0.0069 -0.0027 912 GLU 85 HB2 -0.0102 -0.0041 -0.0040 913 GLU 85 HB3 -0.0115 -0.0020 -0.0040 914 GLU 85 HG2 -0.0085 -0.0043 0.0004 915 GLU 85 HG3 -0.0102 -0.0018 0.0000 916 ARG 86 N -0.0088 -0.0043 -0.0013 917 ARG 86 CA -0.0089 -0.0053 -0.0024 918 ARG 86 C -0.0057 -0.0051 0.0002 919 ARG 86 O -0.0024 -0.0057 0.0022 920 ARG 86 CB -0.0090 -0.0088 -0.0064 921 ARG 86 CG -0.0060 -0.0116 -0.0072 922 ARG 86 CD -0.0016 -0.0127 -0.0050 923 ARG 86 NE 0.0011 -0.0152 -0.0057 924 ARG 86 CZ 0.0050 -0.0161 -0.0037 925 ARG 86 NH1 0.0069 -0.0150 -0.0009 926 ARG 86 NH2 0.0071 -0.0183 -0.0045 927 ARG 86 H -0.0063 -0.0055 -0.0006 928 ARG 86 HA -0.0117 -0.0034 -0.0026 929 ARG 86 HB2 -0.0083 -0.0097 -0.0069 930 ARG 86 HB3 -0.0120 -0.0084 -0.0083 931 ARG 86 HG2 -0.0065 -0.0138 -0.0101 932 ARG 86 HG3 -0.0065 -0.0107 -0.0067 933 ARG 86 HD2 -0.0010 -0.0105 -0.0021 934 ARG 86 HD3 -0.0009 -0.0139 -0.0058 935 ARG 86 HE -0.0002 -0.0161 -0.0078 936 ARG 86 HH11 0.0056 -0.0134 -0.0002 937 ARG 86 HH12 0.0099 -0.0157 0.0006 938 ARG 86 HH21 0.0057 -0.0192 -0.0066 939 ARG 86 HH22 0.0100 -0.0190 -0.0030 940 ALA 87 N -0.0007 -0.0080 -0.0019 941 ALA 87 CA 0.0060 -0.0080 -0.0030 942 ALA 87 C 0.0083 -0.0144 -0.0032 943 ALA 87 O 0.0127 -0.0171 -0.0038 944 ALA 87 CB 0.0080 -0.0070 -0.0033 945 ALA 87 H -0.0030 -0.0102 -0.0015 946 ALA 87 HA 0.0079 -0.0043 -0.0034 947 ALA 87 HB1 0.0060 -0.0106 -0.0029 948 ALA 87 HB2 0.0063 -0.0025 -0.0032 949 ALA 87 HB3 0.0129 -0.0072 -0.0041 950 ALA 88 N 0.0093 -0.0149 -0.0025 951 ALA 88 CA 0.0091 -0.0192 0.0016 952 ALA 88 C 0.0049 -0.0156 0.0012 953 ALA 88 O -0.0015 -0.0144 0.0046 954 ALA 88 CB 0.0062 -0.0239 0.0078 955 ALA 88 H 0.0050 -0.0116 -0.0025 956 ALA 88 HA 0.0144 -0.0218 0.0002 957 ALA 88 HB1 0.0009 -0.0214 0.0092 958 ALA 88 HB2 0.0093 -0.0264 0.0079 959 ALA 88 HB3 0.0063 -0.0271 0.0106 960 GLY 89 N -0.0019 -0.0087 -0.0021 961 GLY 89 CA -0.0108 -0.0043 -0.0031 962 GLY 89 C -0.0100 -0.0040 -0.0085 963 GLY 89 O -0.0053 -0.0067 -0.0050 964 GLY 89 H 0.0035 -0.0108 -0.0064 965 GLY 89 HA2 -0.0141 -0.0036 0.0044 966 GLY 89 HA3 -0.0150 -0.0017 -0.0075 967 MET 90 N 0.0183 0.0061 -0.0228 968 MET 90 CA 0.0114 0.0041 -0.0159 969 MET 90 C 0.0108 0.0073 -0.0176 970 MET 90 O 0.0064 0.0152 -0.0198 971 MET 90 CB 0.0026 0.0081 -0.0116 972 MET 90 CG -0.0047 0.0049 -0.0034 973 MET 90 SD -0.0082 0.0077 -0.0026 974 MET 90 CE -0.0170 0.0037 0.0074 975 MET 90 H 0.0232 0.0010 -0.0231 976 MET 90 HA 0.0135 -0.0031 -0.0123 977 MET 90 HB2 0.0037 0.0064 -0.0113 978 MET 90 HB3 0.0003 0.0153 -0.0150 979 MET 90 HG2 -0.0023 -0.0024 -0.0001 980 MET 90 HG3 -0.0101 0.0077 -0.0010 981 MET 90 HE1 -0.0145 -0.0034 0.0106 982 MET 90 HE2 -0.0198 0.0050 0.0087 983 MET 90 HE3 -0.0218 0.0071 0.0088 984 GLY 91 N -0.0103 0.0070 -0.0102 985 GLY 91 CA -0.0135 0.0026 -0.0028 986 GLY 91 C -0.0152 0.0029 -0.0045 987 GLY 91 O -0.0231 0.0011 -0.0053 988 GLY 91 H -0.0141 0.0085 -0.0159 989 GLY 91 HA2 -0.0084 0.0015 0.0028 990 GLY 91 HA3 -0.0199 0.0002 -0.0016 991 SER 92 N 0.0034 0.0068 -0.0058 992 SER 92 CA 0.0053 0.0065 -0.0035 993 SER 92 C 0.0088 0.0048 0.0015 994 SER 92 O 0.0116 0.0075 0.0032 995 SER 92 CB 0.0067 0.0118 -0.0050 996 SER 92 OG 0.0034 0.0133 -0.0096 997 SER 92 H 0.0049 0.0094 -0.0056 998 SER 92 HA 0.0032 0.0037 -0.0042 999 SER 92 HB2 0.0089 0.0147 -0.0042 1000 SER 92 HB3 0.0080 0.0115 -0.0033 1001 SER 92 HG 0.0012 0.0109 -0.0107 1002 TYR 93 N 0.0028 -0.0050 0.0320 1003 TYR 93 CA -0.0002 -0.0029 0.0251 1004 TYR 93 C 0.0030 -0.0048 0.0312 1005 TYR 93 O 0.0097 -0.0070 0.0390 1006 TYR 93 CB 0.0066 0.0011 0.0145 1007 TYR 93 CG 0.0032 0.0039 0.0058 1008 TYR 93 CD1 -0.0054 0.0059 -0.0015 1009 TYR 93 CD2 0.0085 0.0046 0.0048 1010 TYR 93 CE1 -0.0087 0.0084 -0.0095 1011 TYR 93 CE2 0.0053 0.0071 -0.0032 1012 TYR 93 CZ -0.0033 0.0090 -0.0103 1013 TYR 93 OH -0.0066 0.0115 -0.0182 1014 TYR 93 H 0.0109 -0.0051 0.0336 1015 TYR 93 HA -0.0091 -0.0028 0.0233 1016 TYR 93 HB2 0.0055 0.0022 0.0113 1017 TYR 93 HB3 0.0155 0.0010 0.0164 1018 TYR 93 HD1 -0.0096 0.0054 -0.0009 1019 TYR 93 HD2 0.0152 0.0031 0.0104 1020 TYR 93 HE1 -0.0154 0.0100 -0.0151 1021 TYR 93 HE2 0.0095 0.0076 -0.0038 1022 TYR 93 HH -0.0077 0.0103 -0.0147 1023 VAL 94 N 0.0062 0.0023 0.0181 1024 VAL 94 CA 0.0003 0.0075 0.0045 1025 VAL 94 C -0.0168 0.0157 0.0067 1026 VAL 94 O -0.0225 0.0168 0.0180 1027 VAL 94 CB 0.0085 0.0039 0.0008 1028 VAL 94 CG1 0.0077 0.0020 0.0157 1029 VAL 94 CG2 0.0024 0.0093 -0.0140 1030 VAL 94 H 0.0134 -0.0023 0.0247 1031 VAL 94 HA 0.0023 0.0081 -0.0061 1032 VAL 94 HB 0.0201 -0.0014 -0.0023 1033 VAL 94 HG11 0.0135 -0.0005 0.0125 1034 VAL 94 HG12 -0.0038 0.0072 0.0194 1035 VAL 94 HG13 0.0129 -0.0022 0.0256 1036 VAL 94 HG21 -0.0094 0.0148 -0.0115 1037 VAL 94 HG22 0.0081 0.0068 -0.0163 1038 VAL 94 HG23 0.0040 0.0102 -0.0248