1 ASP 28 N 0.0029 -0.0031 -0.0093 2 ASP 28 CA 0.0006 -0.0016 -0.0049 3 ASP 28 C 0.0030 -0.0047 -0.0018 4 ASP 28 O 0.0054 -0.0066 -0.0040 5 ASP 28 CB -0.0023 0.0017 -0.0068 6 ASP 28 CG -0.0047 0.0034 -0.0025 7 ASP 28 OD1 -0.0069 0.0050 0.0005 8 ASP 28 OD2 -0.0048 0.0034 -0.0021 9 ASP 28 H 0.0013 -0.0011 -0.0116 10 ASP 28 HA -0.0007 -0.0008 -0.0026 11 ASP 28 HB2 -0.0039 0.0038 -0.0090 12 ASP 28 HB3 -0.0009 0.0008 -0.0092 13 PRO 29 N 0.0092 0.0027 -0.0109 14 PRO 29 CA 0.0103 0.0021 -0.0101 15 PRO 29 C 0.0060 0.0063 -0.0159 16 PRO 29 O -0.0014 0.0074 -0.0177 17 PRO 29 CB 0.0060 -0.0031 -0.0034 18 PRO 29 CG 0.0052 -0.0058 0.0003 19 PRO 29 CD 0.0044 -0.0017 -0.0052 20 PRO 29 HA 0.0170 0.0021 -0.0098 21 PRO 29 HB2 -0.0000 -0.0024 -0.0045 22 PRO 29 HB3 0.0100 -0.0051 -0.0005 23 PRO 29 HG2 -0.0005 -0.0082 0.0033 24 PRO 29 HG3 0.0107 -0.0080 0.0035 25 PRO 29 HD2 -0.0022 -0.0009 -0.0066 26 PRO 29 HD3 0.0074 -0.0030 -0.0034 27 ASN 30 N 0.0029 0.0026 -0.0082 28 ASN 30 CA 0.0036 0.0014 -0.0058 29 ASN 30 C 0.0046 0.0008 -0.0041 30 ASN 30 O 0.0069 0.0015 -0.0034 31 ASN 30 CB 0.0053 0.0021 -0.0055 32 ASN 30 CG 0.0062 0.0009 -0.0030 33 ASN 30 OD1 0.0051 -0.0001 -0.0022 34 ASN 30 ND2 0.0083 0.0012 -0.0017 35 ASN 30 H 0.0012 0.0024 -0.0091 36 ASN 30 HA 0.0019 0.0003 -0.0053 37 ASN 30 HB2 0.0044 0.0023 -0.0066 38 ASN 30 HB3 0.0068 0.0033 -0.0062 39 ASN 30 HD21 0.0092 0.0021 -0.0025 40 ASN 30 HD22 0.0090 0.0004 -0.0001 41 ALA 31 N 0.0019 -0.0024 0.0072 42 ALA 31 CA 0.0017 -0.0029 0.0071 43 ALA 31 C 0.0020 -0.0022 0.0076 44 ALA 31 O 0.0019 -0.0022 0.0087 45 ALA 31 CB 0.0012 -0.0040 0.0078 46 ALA 31 H 0.0022 -0.0017 0.0077 47 ALA 31 HA 0.0016 -0.0031 0.0062 48 ALA 31 HB1 0.0010 -0.0045 0.0077 49 ALA 31 HB2 0.0012 -0.0039 0.0088 50 ALA 31 HB3 0.0010 -0.0046 0.0075 51 GLU 32 N 0.0036 -0.0032 -0.0008 52 GLU 32 CA 0.0046 -0.0062 -0.0048 53 GLU 32 C 0.0044 -0.0013 -0.0070 54 GLU 32 O 0.0051 -0.0022 -0.0115 55 GLU 32 CB 0.0046 -0.0116 -0.0011 56 GLU 32 CG 0.0035 -0.0095 0.0048 57 GLU 32 CD 0.0036 -0.0150 0.0080 58 GLU 32 OE1 0.0040 -0.0164 0.0063 59 GLU 32 OE2 0.0032 -0.0181 0.0122 60 GLU 32 H 0.0030 -0.0036 0.0038 61 GLU 32 HA 0.0053 -0.0082 -0.0087 62 GLU 32 HB2 0.0053 -0.0138 -0.0043 63 GLU 32 HB3 0.0047 -0.0149 0.0004 64 GLU 32 HG2 0.0028 -0.0074 0.0081 65 GLU 32 HG3 0.0033 -0.0060 0.0034 66 PHE 33 N 0.0061 0.0082 -0.0002 67 PHE 33 CA 0.0041 0.0081 -0.0021 68 PHE 33 C 0.0022 0.0065 -0.0003 69 PHE 33 O 0.0022 0.0053 0.0024 70 PHE 33 CB 0.0021 0.0082 -0.0045 71 PHE 33 CG 0.0004 0.0068 -0.0032 72 PHE 33 CD1 -0.0023 0.0052 -0.0021 73 PHE 33 CD2 0.0015 0.0072 -0.0029 74 PHE 33 CE1 -0.0038 0.0039 -0.0008 75 PHE 33 CE2 0.0000 0.0060 -0.0016 76 PHE 33 CZ -0.0027 0.0044 -0.0006 77 PHE 33 H 0.0053 0.0075 0.0007 78 PHE 33 HA 0.0055 0.0092 -0.0033 79 PHE 33 HB2 0.0004 0.0080 -0.0058 80 PHE 33 HB3 0.0034 0.0094 -0.0061 81 PHE 33 HD1 -0.0032 0.0048 -0.0023 82 PHE 33 HD2 0.0036 0.0085 -0.0036 83 PHE 33 HE1 -0.0059 0.0027 -0.0001 84 PHE 33 HE2 0.0009 0.0063 -0.0014 85 PHE 33 HZ -0.0038 0.0034 0.0005 86 ASP 34 N -0.0008 0.0052 -0.0014 87 ASP 34 CA -0.0037 0.0034 0.0004 88 ASP 34 C -0.0061 0.0016 -0.0015 89 ASP 34 O -0.0061 0.0014 -0.0049 90 ASP 34 CB -0.0045 0.0028 0.0004 91 ASP 34 CG -0.0073 0.0011 0.0027 92 ASP 34 OD1 -0.0099 -0.0007 0.0015 93 ASP 34 OD2 -0.0071 0.0014 0.0057 94 ASP 34 H -0.0004 0.0053 -0.0038 95 ASP 34 HA -0.0035 0.0036 0.0032 96 ASP 34 HB2 -0.0026 0.0041 0.0014 97 ASP 34 HB3 -0.0049 0.0024 -0.0024 98 PRO 35 N -0.0128 -0.0084 0.0069 99 PRO 35 CA -0.0207 -0.0096 0.0054 100 PRO 35 C -0.0223 -0.0078 0.0038 101 PRO 35 O -0.0288 -0.0088 0.0026 102 PRO 35 CB -0.0227 -0.0168 0.0096 103 PRO 35 CG -0.0157 -0.0195 0.0132 104 PRO 35 CD -0.0093 -0.0144 0.0118 105 PRO 35 HA -0.0240 -0.0070 0.0028 106 PRO 35 HB2 -0.0273 -0.0187 0.0094 107 PRO 35 HB3 -0.0241 -0.0178 0.0098 108 PRO 35 HG2 -0.0156 -0.0202 0.0138 109 PRO 35 HG3 -0.0155 -0.0240 0.0162 110 PRO 35 HD2 -0.0049 -0.0138 0.0127 111 PRO 35 HD3 -0.0072 -0.0156 0.0132 112 ASP 36 N -0.0107 0.0095 0.0071 113 ASP 36 CA -0.0134 0.0171 0.0022 114 ASP 36 C -0.0129 0.0104 0.0011 115 ASP 36 O -0.0132 0.0155 0.0023 116 ASP 36 CB -0.0180 0.0213 -0.0094 117 ASP 36 CG -0.0210 0.0288 -0.0151 118 ASP 36 OD1 -0.0211 0.0392 -0.0115 119 ASP 36 OD2 -0.0233 0.0243 -0.0235 120 ASP 36 H -0.0116 0.0032 0.0022 121 ASP 36 HA -0.0124 0.0248 0.0080 122 ASP 36 HB2 -0.0183 0.0266 -0.0082 123 ASP 36 HB3 -0.0189 0.0135 -0.0150 124 LEU 37 N -0.0084 -0.0058 -0.0035 125 LEU 37 CA -0.0083 -0.0088 -0.0040 126 LEU 37 C -0.0043 -0.0093 -0.0072 127 LEU 37 O -0.0019 -0.0058 -0.0086 128 LEU 37 CB -0.0107 -0.0069 -0.0019 129 LEU 37 CG -0.0151 -0.0076 0.0015 130 LEU 37 CD1 -0.0165 -0.0129 0.0018 131 LEU 37 CD2 -0.0166 -0.0047 0.0030 132 LEU 37 H -0.0084 -0.0023 -0.0030 133 LEU 37 HA -0.0096 -0.0122 -0.0035 134 LEU 37 HB2 -0.0099 -0.0032 -0.0020 135 LEU 37 HB3 -0.0099 -0.0087 -0.0028 136 LEU 37 HG -0.0164 -0.0064 0.0026 137 LEU 37 HD11 -0.0196 -0.0133 0.0041 138 LEU 37 HD12 -0.0153 -0.0143 0.0006 139 LEU 37 HD13 -0.0156 -0.0148 0.0008 140 LEU 37 HD21 -0.0197 -0.0053 0.0053 141 LEU 37 HD22 -0.0158 -0.0010 0.0029 142 LEU 37 HD23 -0.0154 -0.0058 0.0019 143 PRO 38 N 0.0003 -0.0129 -0.0074 144 PRO 38 CA 0.0046 -0.0139 -0.0116 145 PRO 38 C 0.0042 -0.0094 -0.0119 146 PRO 38 O 0.0006 -0.0089 -0.0083 147 PRO 38 CB 0.0049 -0.0213 -0.0107 148 PRO 38 CG 0.0020 -0.0245 -0.0072 149 PRO 38 CD -0.0019 -0.0192 -0.0041 150 PRO 38 HA 0.0077 -0.0131 -0.0149 151 PRO 38 HB2 0.0035 -0.0215 -0.0092 152 PRO 38 HB3 0.0085 -0.0235 -0.0141 153 PRO 38 HG2 0.0005 -0.0286 -0.0050 154 PRO 38 HG3 0.0041 -0.0262 -0.0091 155 PRO 38 HD2 -0.0049 -0.0191 -0.0010 156 PRO 38 HD3 -0.0029 -0.0199 -0.0030 157 GLY 39 N 0.0066 -0.0097 -0.0158 158 GLY 39 CA 0.0052 -0.0060 -0.0163 159 GLY 39 C 0.0031 -0.0022 -0.0152 160 GLY 39 O 0.0012 0.0007 -0.0141 161 GLY 39 H 0.0083 -0.0105 -0.0183 162 GLY 39 HA2 0.0066 -0.0052 -0.0193 163 GLY 39 HA3 0.0044 -0.0067 -0.0142 164 GLY 40 N 0.0003 0.0027 -0.0145 165 GLY 40 CA -0.0000 0.0055 -0.0116 166 GLY 40 C -0.0014 0.0058 -0.0083 167 GLY 40 O -0.0017 0.0083 -0.0058 168 GLY 40 H -0.0002 0.0003 -0.0150 169 GLY 40 HA2 -0.0006 0.0047 -0.0109 170 GLY 40 HA3 0.0012 0.0082 -0.0127 171 GLY 41 N -0.0015 0.0000 -0.0068 172 GLY 41 CA -0.0034 -0.0002 -0.0037 173 GLY 41 C -0.0030 0.0027 -0.0037 174 GLY 41 O -0.0045 0.0034 -0.0012 175 GLY 41 H -0.0007 -0.0022 -0.0086 176 GLY 41 HA2 -0.0039 -0.0032 -0.0036 177 GLY 41 HA3 -0.0047 0.0006 -0.0015 178 LEU 42 N -0.0004 0.0025 -0.0067 179 LEU 42 CA -0.0001 0.0054 -0.0070 180 LEU 42 C 0.0005 0.0031 -0.0079 181 LEU 42 O 0.0005 0.0051 -0.0077 182 LEU 42 CB 0.0022 0.0086 -0.0098 183 LEU 42 CG 0.0019 0.0112 -0.0093 184 LEU 42 CD1 0.0043 0.0141 -0.0123 185 LEU 42 CD2 -0.0006 0.0138 -0.0061 186 LEU 42 H 0.0013 0.0018 -0.0088 187 LEU 42 HA -0.0019 0.0072 -0.0047 188 LEU 42 HB2 0.0040 0.0068 -0.0121 189 LEU 42 HB3 0.0024 0.0107 -0.0100 190 LEU 42 HG 0.0018 0.0091 -0.0093 191 LEU 42 HD11 0.0040 0.0160 -0.0119 192 LEU 42 HD12 0.0045 0.0162 -0.0125 193 LEU 42 HD13 0.0060 0.0123 -0.0146 194 LEU 42 HD21 -0.0006 0.0159 -0.0061 195 LEU 42 HD22 -0.0007 0.0157 -0.0059 196 LEU 42 HD23 -0.0023 0.0117 -0.0040 197 HIS 43 N 0.0039 -0.0056 -0.0074 198 HIS 43 CA 0.0038 -0.0059 -0.0055 199 HIS 43 C 0.0047 -0.0052 -0.0054 200 HIS 43 O 0.0062 -0.0041 -0.0052 201 HIS 43 CB 0.0044 -0.0056 -0.0039 202 HIS 43 CG 0.0037 -0.0062 -0.0039 203 HIS 43 ND1 0.0024 -0.0073 -0.0031 204 HIS 43 CD2 0.0042 -0.0057 -0.0047 205 HIS 43 CE1 0.0020 -0.0076 -0.0034 206 HIS 43 NE2 0.0031 -0.0066 -0.0043 207 HIS 43 H 0.0049 -0.0048 -0.0079 208 HIS 43 HA 0.0026 -0.0069 -0.0053 209 HIS 43 HB2 0.0057 -0.0047 -0.0039 210 HIS 43 HB3 0.0042 -0.0060 -0.0025 211 HIS 43 HD1 0.0017 -0.0079 -0.0025 212 HIS 43 HD2 0.0052 -0.0048 -0.0054 213 HIS 43 HE1 0.0010 -0.0084 -0.0028 214 HIS 43 HE2 0.0030 -0.0066 -0.0049 215 ARG 44 N 0.0047 -0.0040 0.0049 216 ARG 44 CA 0.0019 -0.0056 0.0044 217 ARG 44 C 0.0017 -0.0087 0.0033 218 ARG 44 O 0.0029 -0.0092 0.0031 219 ARG 44 CB -0.0011 -0.0041 0.0050 220 ARG 44 CG -0.0012 -0.0007 0.0061 221 ARG 44 CD -0.0041 0.0005 0.0066 222 ARG 44 NE -0.0043 0.0038 0.0077 223 ARG 44 CZ -0.0068 0.0053 0.0083 224 ARG 44 NH1 -0.0093 0.0039 0.0078 225 ARG 44 NH2 -0.0068 0.0083 0.0093 226 ARG 44 H 0.0051 -0.0039 0.0050 227 ARG 44 HA 0.0017 -0.0057 0.0044 228 ARG 44 HB2 -0.0013 -0.0047 0.0048 229 ARG 44 HB3 -0.0031 -0.0050 0.0046 230 ARG 44 HG2 -0.0012 -0.0002 0.0063 231 ARG 44 HG3 0.0010 0.0002 0.0064 232 ARG 44 HD2 -0.0041 -0.0002 0.0063 233 ARG 44 HD3 -0.0061 -0.0004 0.0063 234 ARG 44 HE -0.0024 0.0048 0.0081 235 ARG 44 HH11 -0.0094 0.0017 0.0070 236 ARG 44 HH12 -0.0112 0.0050 0.0082 237 ARG 44 HH21 -0.0049 0.0095 0.0097 238 ARG 44 HH22 -0.0087 0.0095 0.0097 239 CYS 45 N -0.0014 0.0038 0.0069 240 CYS 45 CA -0.0004 0.0059 0.0072 241 CYS 45 C 0.0021 0.0056 0.0073 242 CYS 45 O 0.0030 0.0052 0.0072 243 CYS 45 CB -0.0011 0.0079 0.0075 244 CYS 45 SG 0.0004 0.0106 0.0080 245 CYS 45 H -0.0014 0.0033 0.0068 246 CYS 45 HA -0.0010 0.0062 0.0073 247 CYS 45 HB2 -0.0029 0.0082 0.0075 248 CYS 45 HB3 -0.0009 0.0075 0.0075 249 LEU 46 N -0.0055 -0.0083 0.0132 250 LEU 46 CA 0.0034 -0.0084 -0.0144 251 LEU 46 C 0.0151 0.0120 -0.0178 252 LEU 46 O 0.0274 0.0240 -0.0364 253 LEU 46 CB -0.0057 -0.0336 -0.0259 254 LEU 46 CG -0.0171 -0.0551 -0.0251 255 LEU 46 CD1 -0.0264 -0.0793 -0.0349 256 LEU 46 CD2 -0.0104 -0.0520 -0.0408 257 LEU 46 H -0.0156 -0.0223 0.0218 258 LEU 46 HA 0.0085 -0.0050 -0.0246 259 LEU 46 HB2 -0.0110 -0.0370 -0.0154 260 LEU 46 HB3 0.0011 -0.0331 -0.0461 261 LEU 46 HG -0.0235 -0.0547 -0.0048 262 LEU 46 HD11 -0.0318 -0.0820 -0.0223 263 LEU 46 HD12 -0.0341 -0.0942 -0.0349 264 LEU 46 HD13 -0.0197 -0.0789 -0.0547 265 LEU 46 HD21 -0.0047 -0.0356 -0.0323 266 LEU 46 HD22 -0.0031 -0.0508 -0.0609 267 LEU 46 HD23 -0.0187 -0.0679 -0.0403 268 ALA 47 N -0.0029 0.0122 0.0085 269 ALA 47 CA 0.0014 0.0172 0.0111 270 ALA 47 C 0.0065 0.0215 0.0116 271 ALA 47 O 0.0113 0.0256 0.0123 272 ALA 47 CB -0.0021 0.0189 0.0178 273 ALA 47 H -0.0073 0.0106 0.0112 274 ALA 47 HA 0.0036 0.0168 0.0079 275 ALA 47 HB1 0.0011 0.0226 0.0196 276 ALA 47 HB2 -0.0042 0.0195 0.0212 277 ALA 47 HB3 -0.0056 0.0159 0.0174 278 CYS 48 N 0.0058 0.0122 0.0068 279 CYS 48 CA 0.0040 0.0083 0.0061 280 CYS 48 C 0.0047 0.0023 0.0075 281 CYS 48 O 0.0040 -0.0012 0.0076 282 CYS 48 CB -0.0011 0.0091 0.0025 283 CYS 48 SG -0.0017 0.0155 0.0011 284 CYS 48 H 0.0045 0.0121 0.0059 285 CYS 48 HA 0.0060 0.0093 0.0073 286 CYS 48 HB2 -0.0036 0.0092 0.0008 287 CYS 48 HB3 -0.0023 0.0062 0.0021 288 ALA 49 N -0.0014 -0.0002 -0.0034 289 ALA 49 CA -0.0015 -0.0046 0.0004 290 ALA 49 C -0.0072 -0.0065 0.0018 291 ALA 49 O -0.0087 -0.0097 0.0045 292 ALA 49 CB 0.0005 -0.0051 0.0009 293 ALA 49 H 0.0012 0.0006 -0.0040 294 ALA 49 HA 0.0013 -0.0061 0.0019 295 ALA 49 HB1 -0.0022 -0.0036 -0.0005 296 ALA 49 HB2 0.0046 -0.0037 -0.0001 297 ALA 49 HB3 0.0006 -0.0083 0.0037 298 ARG 50 N -0.0088 -0.0030 0.0131 299 ARG 50 CA -0.0076 -0.0044 0.0102 300 ARG 50 C -0.0010 0.0016 0.0097 301 ARG 50 O 0.0040 0.0051 0.0080 302 ARG 50 CB -0.0076 -0.0107 0.0027 303 ARG 50 CG -0.0143 -0.0173 0.0027 304 ARG 50 CD -0.0138 -0.0233 -0.0049 305 ARG 50 NE -0.0202 -0.0297 -0.0051 306 ARG 50 CZ -0.0210 -0.0357 -0.0112 307 ARG 50 NH1 -0.0159 -0.0362 -0.0176 308 ARG 50 NH2 -0.0269 -0.0411 -0.0108 309 ARG 50 H -0.0060 -0.0028 0.0101 310 ARG 50 HA -0.0118 -0.0052 0.0139 311 ARG 50 HB2 -0.0035 -0.0100 -0.0010 312 ARG 50 HB3 -0.0064 -0.0113 0.0007 313 ARG 50 HG2 -0.0184 -0.0181 0.0063 314 ARG 50 HG3 -0.0155 -0.0168 0.0046 315 ARG 50 HD2 -0.0097 -0.0224 -0.0085 316 ARG 50 HD3 -0.0127 -0.0238 -0.0067 317 ARG 50 HE -0.0241 -0.0293 -0.0002 318 ARG 50 HH11 -0.0114 -0.0322 -0.0181 319 ARG 50 HH12 -0.0163 -0.0405 -0.0222 320 ARG 50 HH21 -0.0310 -0.0409 -0.0060 321 ARG 50 HH22 -0.0276 -0.0456 -0.0153 322 TYR 51 N -0.0047 -0.0158 0.0036 323 TYR 51 CA -0.0034 -0.0128 0.0016 324 TYR 51 C -0.0009 -0.0141 -0.0015 325 TYR 51 O -0.0002 -0.0170 -0.0023 326 TYR 51 CB -0.0039 -0.0114 0.0021 327 TYR 51 CG -0.0064 -0.0103 0.0052 328 TYR 51 CD1 -0.0078 -0.0129 0.0074 329 TYR 51 CD2 -0.0073 -0.0067 0.0061 330 TYR 51 CE1 -0.0100 -0.0120 0.0102 331 TYR 51 CE2 -0.0095 -0.0057 0.0090 332 TYR 51 CZ -0.0109 -0.0084 0.0110 333 TYR 51 OH -0.0132 -0.0074 0.0139 334 TYR 51 H -0.0047 -0.0176 0.0038 335 TYR 51 HA -0.0039 -0.0105 0.0020 336 TYR 51 HB2 -0.0033 -0.0137 0.0016 337 TYR 51 HB3 -0.0029 -0.0091 0.0006 338 TYR 51 HD1 -0.0071 -0.0158 0.0068 339 TYR 51 HD2 -0.0062 -0.0047 0.0045 340 TYR 51 HE1 -0.0111 -0.0140 0.0118 341 TYR 51 HE2 -0.0102 -0.0029 0.0096 342 TYR 51 HH -0.0135 -0.0086 0.0144 343 PHE 52 N 0.0045 -0.0020 -0.0026 344 PHE 52 CA 0.0028 -0.0014 -0.0019 345 PHE 52 C 0.0019 -0.0030 -0.0012 346 PHE 52 O 0.0024 -0.0044 -0.0012 347 PHE 52 CB 0.0026 -0.0004 -0.0019 348 PHE 52 CG 0.0035 0.0012 -0.0026 349 PHE 52 CD1 0.0051 0.0011 -0.0033 350 PHE 52 CD2 0.0027 0.0028 -0.0025 351 PHE 52 CE1 0.0059 0.0026 -0.0040 352 PHE 52 CE2 0.0036 0.0043 -0.0032 353 PHE 52 CZ 0.0052 0.0042 -0.0039 354 PHE 52 H 0.0050 -0.0026 -0.0027 355 PHE 52 HA 0.0024 -0.0006 -0.0018 356 PHE 52 HB2 0.0029 -0.0013 -0.0020 357 PHE 52 HB3 0.0013 -0.0000 -0.0014 358 PHE 52 HD1 0.0057 -0.0001 -0.0034 359 PHE 52 HD2 0.0015 0.0029 -0.0020 360 PHE 52 HE1 0.0071 0.0025 -0.0045 361 PHE 52 HE2 0.0030 0.0055 -0.0031 362 PHE 52 HZ 0.0058 0.0053 -0.0044 363 ILE 53 N 0.0132 -0.0110 -0.0031 364 ILE 53 CA 0.0109 -0.0116 -0.0118 365 ILE 53 C 0.0020 -0.0080 -0.0132 366 ILE 53 O -0.0016 -0.0077 -0.0201 367 ILE 53 CB 0.0158 -0.0142 -0.0146 368 ILE 53 CG1 0.0149 -0.0127 -0.0085 369 ILE 53 CG2 0.0245 -0.0180 -0.0151 370 ILE 53 CD1 0.0192 -0.0150 -0.0109 371 ILE 53 H 0.0172 -0.0121 0.0001 372 ILE 53 HA 0.0122 -0.0129 -0.0158 373 ILE 53 HB 0.0134 -0.0143 -0.0208 374 ILE 53 HG12 0.0170 -0.0125 -0.0021 375 ILE 53 HG13 0.0086 -0.0100 -0.0085 376 ILE 53 HG21 0.0269 -0.0179 -0.0089 377 ILE 53 HG22 0.0249 -0.0190 -0.0197 378 ILE 53 HG23 0.0278 -0.0198 -0.0170 379 ILE 53 HD11 0.0169 -0.0151 -0.0172 380 ILE 53 HD12 0.0184 -0.0138 -0.0063 381 ILE 53 HD13 0.0255 -0.0177 -0.0110 382 ASP 54 N 0.0014 -0.0053 0.0002 383 ASP 54 CA -0.0054 -0.0106 0.0035 384 ASP 54 C -0.0041 -0.0078 0.0037 385 ASP 54 O 0.0004 0.0001 0.0036 386 ASP 54 CB -0.0131 -0.0086 0.0110 387 ASP 54 CG -0.0206 -0.0143 0.0147 388 ASP 54 OD1 -0.0238 -0.0227 0.0135 389 ASP 54 OD2 -0.0234 -0.0105 0.0189 390 ASP 54 H 0.0044 0.0012 0.0007 391 ASP 54 HA -0.0060 -0.0181 0.0003 392 ASP 54 HB2 -0.0137 -0.0103 0.0107 393 ASP 54 HB3 -0.0126 -0.0011 0.0142 394 SER 55 N 0.0011 -0.0112 0.0150 395 SER 55 CA 0.0057 -0.0110 0.0096 396 SER 55 C 0.0016 -0.0025 0.0106 397 SER 55 O 0.0050 0.0024 0.0046 398 SER 55 CB 0.0081 -0.0218 0.0116 399 SER 55 OG 0.0124 -0.0221 0.0068 400 SER 55 H -0.0004 -0.0175 0.0194 401 SER 55 HA 0.0107 -0.0093 0.0032 402 SER 55 HB2 0.0115 -0.0272 0.0101 403 SER 55 HB3 0.0033 -0.0243 0.0182 404 SER 55 HG 0.0091 -0.0202 0.0097 405 THR 56 N -0.0060 -0.0104 0.0190 406 THR 56 CA -0.0125 0.0024 0.0244 407 THR 56 C -0.0103 0.0213 0.0162 408 THR 56 O -0.0091 0.0311 0.0119 409 THR 56 CB -0.0246 0.0028 0.0411 410 THR 56 OG1 -0.0264 -0.0152 0.0485 411 THR 56 CG2 -0.0315 0.0142 0.0474 412 THR 56 H -0.0099 -0.0162 0.0260 413 THR 56 HA -0.0102 -0.0016 0.0223 414 THR 56 HB -0.0268 0.0086 0.0425 415 THR 56 HG1 -0.0245 -0.0202 0.0473 416 THR 56 HG21 -0.0400 0.0144 0.0591 417 THR 56 HG22 -0.0291 0.0087 0.0456 418 THR 56 HG23 -0.0302 0.0278 0.0419 419 ASN 57 N -0.0085 0.0097 0.0196 420 ASN 57 CA -0.0055 0.0216 0.0146 421 ASN 57 C 0.0022 0.0224 0.0040 422 ASN 57 O 0.0042 0.0322 0.0005 423 ASN 57 CB -0.0054 0.0238 0.0144 424 ASN 57 CG -0.0128 0.0291 0.0241 425 ASN 57 OD1 -0.0141 0.0404 0.0251 426 ASN 57 ND2 -0.0175 0.0211 0.0313 427 ASN 57 H -0.0090 0.0041 0.0207 428 ASN 57 HA -0.0090 0.0288 0.0189 429 ASN 57 HB2 -0.0042 0.0148 0.0134 430 ASN 57 HB3 -0.0011 0.0298 0.0080 431 ASN 57 HD21 -0.0164 0.0120 0.0304 432 ASN 57 HD22 -0.0223 0.0245 0.0376 433 LEU 58 N 0.0014 0.0126 -0.0031 434 LEU 58 CA 0.0044 0.0127 -0.0055 435 LEU 58 C 0.0058 0.0140 -0.0080 436 LEU 58 O 0.0064 0.0158 -0.0108 437 LEU 58 CB 0.0070 0.0099 -0.0039 438 LEU 58 CG 0.0106 0.0095 -0.0060 439 LEU 58 CD1 0.0129 0.0090 -0.0071 440 LEU 58 CD2 0.0104 0.0118 -0.0087 441 LEU 58 H 0.0016 0.0108 -0.0010 442 LEU 58 HA 0.0035 0.0141 -0.0065 443 LEU 58 HB2 0.0059 0.0094 -0.0025 444 LEU 58 HB3 0.0073 0.0085 -0.0024 445 LEU 58 HG 0.0119 0.0077 -0.0048 446 LEU 58 HD11 0.0154 0.0087 -0.0085 447 LEU 58 HD12 0.0118 0.0107 -0.0083 448 LEU 58 HD13 0.0131 0.0072 -0.0051 449 LEU 58 HD21 0.0093 0.0136 -0.0101 450 LEU 58 HD22 0.0130 0.0114 -0.0101 451 LEU 58 HD23 0.0089 0.0120 -0.0079 452 LYS 59 N 0.0105 0.0221 -0.0069 453 LYS 59 CA 0.0144 0.0238 -0.0132 454 LYS 59 C 0.0086 0.0282 -0.0186 455 LYS 59 O 0.0108 0.0306 -0.0254 456 LYS 59 CB 0.0189 0.0211 -0.0105 457 LYS 59 CG 0.0139 0.0205 -0.0059 458 LYS 59 CD 0.0189 0.0176 -0.0029 459 LYS 59 CE 0.0234 0.0190 -0.0091 460 LYS 59 NZ 0.0180 0.0227 -0.0133 461 LYS 59 H 0.0103 0.0197 -0.0016 462 LYS 59 HA 0.0186 0.0239 -0.0163 463 LYS 59 HB2 0.0221 0.0223 -0.0152 464 LYS 59 HB3 0.0231 0.0181 -0.0070 465 LYS 59 HG2 0.0105 0.0194 -0.0012 466 LYS 59 HG3 0.0099 0.0234 -0.0094 467 LYS 59 HD2 0.0232 0.0148 0.0001 468 LYS 59 HD3 0.0152 0.0170 0.0009 469 LYS 59 HE2 0.0270 0.0197 -0.0130 470 LYS 59 HE3 0.0272 0.0167 -0.0066 471 LYS 59 HZ1 0.0148 0.0221 -0.0098 472 LYS 59 HZ2 0.0213 0.0236 -0.0175 473 LYS 59 HZ3 0.0141 0.0251 -0.0159 474 THR 60 N 0.0046 0.0252 -0.0097 475 THR 60 CA 0.0036 0.0341 -0.0061 476 THR 60 C 0.0038 0.0418 -0.0170 477 THR 60 O 0.0035 0.0459 -0.0181 478 THR 60 CB 0.0023 0.0421 0.0042 479 THR 60 OG1 0.0022 0.0346 0.0143 480 THR 60 CG2 0.0012 0.0514 0.0080 481 THR 60 H 0.0044 0.0257 -0.0062 482 THR 60 HA 0.0038 0.0292 -0.0030 483 THR 60 HB 0.0022 0.0464 0.0006 484 THR 60 HG1 0.0027 0.0302 0.0125 485 THR 60 HG21 0.0003 0.0568 0.0151 486 THR 60 HG22 0.0014 0.0469 0.0112 487 THR 60 HG23 0.0013 0.0570 0.0004 488 HIS 61 N 0.0031 0.0256 -0.0193 489 HIS 61 CA 0.0012 0.0247 -0.0186 490 HIS 61 C 0.0023 0.0251 -0.0197 491 HIS 61 O 0.0009 0.0241 -0.0205 492 HIS 61 CB 0.0003 0.0249 -0.0153 493 HIS 61 CG -0.0009 0.0245 -0.0142 494 HIS 61 ND1 -0.0032 0.0230 -0.0149 495 HIS 61 CD2 0.0002 0.0254 -0.0127 496 HIS 61 CE1 -0.0035 0.0231 -0.0138 497 HIS 61 NE2 -0.0016 0.0245 -0.0125 498 HIS 61 H 0.0037 0.0264 -0.0176 499 HIS 61 HA -0.0004 0.0235 -0.0198 500 HIS 61 HB2 -0.0012 0.0242 -0.0149 501 HIS 61 HB3 0.0019 0.0261 -0.0141 502 HIS 61 HD1 -0.0045 0.0220 -0.0160 503 HIS 61 HD2 0.0020 0.0267 -0.0118 504 HIS 61 HE1 -0.0050 0.0222 -0.0138 505 PHE 62 N 0.0008 0.0177 -0.0136 506 PHE 62 CA 0.0021 0.0189 -0.0142 507 PHE 62 C 0.0021 0.0193 -0.0172 508 PHE 62 O 0.0032 0.0203 -0.0181 509 PHE 62 CB 0.0045 0.0205 -0.0130 510 PHE 62 CG 0.0048 0.0203 -0.0101 511 PHE 62 CD1 0.0039 0.0193 -0.0081 512 PHE 62 CD2 0.0059 0.0211 -0.0094 513 PHE 62 CE1 0.0042 0.0191 -0.0055 514 PHE 62 CE2 0.0062 0.0210 -0.0067 515 PHE 62 CZ 0.0054 0.0199 -0.0047 516 PHE 62 H 0.0014 0.0182 -0.0135 517 PHE 62 HA 0.0015 0.0182 -0.0133 518 PHE 62 HB2 0.0053 0.0214 -0.0142 519 PHE 62 HB3 0.0051 0.0211 -0.0131 520 PHE 62 HD1 0.0030 0.0187 -0.0087 521 PHE 62 HD2 0.0066 0.0219 -0.0109 522 PHE 62 HE1 0.0035 0.0183 -0.0040 523 PHE 62 HE2 0.0072 0.0216 -0.0062 524 PHE 62 HZ 0.0056 0.0198 -0.0027 525 ARG 63 N 0.0041 0.0241 -0.0319 526 ARG 63 CA 0.0083 0.0171 -0.0214 527 ARG 63 C 0.0086 0.0165 -0.0207 528 ARG 63 O 0.0123 0.0114 -0.0123 529 ARG 63 CB 0.0183 0.0206 -0.0136 530 ARG 63 CG 0.0179 0.0189 -0.0126 531 ARG 63 CD 0.0280 0.0226 -0.0048 532 ARG 63 NE 0.0329 0.0167 0.0054 533 ARG 63 CZ 0.0412 0.0170 0.0140 534 ARG 63 NH1 0.0453 0.0223 0.0139 535 ARG 63 NH2 0.0452 0.0117 0.0228 536 ARG 63 H 0.0084 0.0316 -0.0335 537 ARG 63 HA 0.0033 0.0088 -0.0199 538 ARG 63 HB2 0.0230 0.0293 -0.0158 539 ARG 63 HB3 0.0214 0.0157 -0.0061 540 ARG 63 HG2 0.0133 0.0102 -0.0102 541 ARG 63 HG3 0.0146 0.0236 -0.0201 542 ARG 63 HD2 0.0273 0.0209 -0.0043 543 ARG 63 HD3 0.0325 0.0314 -0.0074 544 ARG 63 HE 0.0299 0.0125 0.0057 545 ARG 63 HH11 0.0423 0.0263 0.0075 546 ARG 63 HH12 0.0515 0.0227 0.0203 547 ARG 63 HH21 0.0422 0.0075 0.0230 548 ARG 63 HH22 0.0514 0.0117 0.0295 549 SER 64 N 0.0073 0.0149 -0.0083 550 SER 64 CA 0.0045 0.0096 -0.0057 551 SER 64 C -0.0015 0.0075 -0.0033 552 SER 64 O -0.0070 0.0111 -0.0032 553 SER 64 CB 0.0018 0.0122 -0.0059 554 SER 64 OG 0.0067 0.0158 -0.0085 555 SER 64 H 0.0057 0.0194 -0.0096 556 SER 64 HA 0.0084 0.0056 -0.0052 557 SER 64 HB2 -0.0028 0.0155 -0.0059 558 SER 64 HB3 0.0006 0.0081 -0.0041 559 SER 64 HG 0.0103 0.0127 -0.0083 560 LYS 65 N 0.0102 0.0021 -0.0134 561 LYS 65 CA -0.0052 -0.0016 -0.0045 562 LYS 65 C -0.0130 -0.0032 -0.0006 563 LYS 65 O -0.0281 -0.0018 0.0010 564 LYS 65 CB -0.0037 -0.0107 0.0080 565 LYS 65 CG 0.0106 -0.0193 0.0169 566 LYS 65 CD 0.0094 -0.0243 0.0242 567 LYS 65 CE 0.0238 -0.0326 0.0328 568 LYS 65 NZ 0.0235 -0.0372 0.0394 569 LYS 65 H 0.0204 -0.0017 -0.0104 570 LYS 65 HA -0.0136 0.0042 -0.0110 571 LYS 65 HB2 -0.0150 -0.0135 0.0146 572 LYS 65 HB3 -0.0027 -0.0083 0.0043 573 LYS 65 HG2 0.0106 -0.0246 0.0244 574 LYS 65 HG3 0.0220 -0.0166 0.0104 575 LYS 65 HD2 0.0093 -0.0191 0.0169 576 LYS 65 HD3 -0.0019 -0.0271 0.0308 577 LYS 65 HE2 0.0232 -0.0380 0.0406 578 LYS 65 HE3 0.0351 -0.0298 0.0262 579 LYS 65 HZ1 0.0128 -0.0400 0.0458 580 LYS 65 HZ2 0.0245 -0.0324 0.0323 581 LYS 65 HZ3 0.0333 -0.0430 0.0454 582 ASP 66 N -0.0116 0.0018 -0.0015 583 ASP 66 CA -0.0225 0.0009 -0.0043 584 ASP 66 C -0.0257 0.0080 0.0023 585 ASP 66 O -0.0313 0.0072 0.0005 586 ASP 66 CB -0.0320 0.0004 -0.0065 587 ASP 66 CG -0.0430 -0.0020 -0.0110 588 ASP 66 OD1 -0.0442 -0.0095 -0.0188 589 ASP 66 OD2 -0.0506 0.0034 -0.0069 590 ASP 66 H -0.0117 0.0032 -0.0001 591 ASP 66 HA -0.0212 -0.0048 -0.0099 592 ASP 66 HB2 -0.0289 -0.0039 -0.0104 593 ASP 66 HB3 -0.0340 0.0064 -0.0008 594 HIS 67 N -0.0145 0.0059 0.0095 595 HIS 67 CA -0.0156 0.0089 0.0115 596 HIS 67 C -0.0162 0.0129 0.0128 597 HIS 67 O -0.0182 0.0141 0.0159 598 HIS 67 CB -0.0139 0.0102 0.0090 599 HIS 67 CG -0.0148 0.0130 0.0106 600 HIS 67 ND1 -0.0172 0.0126 0.0142 601 HIS 67 CD2 -0.0136 0.0150 0.0089 602 HIS 67 CE1 -0.0173 0.0142 0.0146 603 HIS 67 NE2 -0.0152 0.0156 0.0115 604 HIS 67 H -0.0129 0.0051 0.0069 605 HIS 67 HA -0.0173 0.0074 0.0139 606 HIS 67 HB2 -0.0135 0.0076 0.0081 607 HIS 67 HB3 -0.0123 0.0120 0.0067 608 HIS 67 HD1 -0.0185 0.0113 0.0162 609 HIS 67 HD2 -0.0118 0.0163 0.0063 610 HIS 67 HE1 -0.0189 0.0144 0.0170 611 LYS 68 N -0.0204 0.0011 0.0055 612 LYS 68 CA -0.0192 0.0054 0.0064 613 LYS 68 C -0.0213 0.0036 0.0076 614 LYS 68 O -0.0223 0.0066 0.0100 615 LYS 68 CB -0.0147 0.0073 0.0027 616 LYS 68 CG -0.0126 0.0087 0.0013 617 LYS 68 CD -0.0079 0.0105 -0.0026 618 LYS 68 CE -0.0064 0.0060 -0.0061 619 LYS 68 NZ -0.0019 0.0075 -0.0099 620 LYS 68 H -0.0183 -0.0006 0.0026 621 LYS 68 HA -0.0203 0.0085 0.0089 622 LYS 68 HB2 -0.0137 0.0042 0.0003 623 LYS 68 HB3 -0.0137 0.0107 0.0034 624 LYS 68 HG2 -0.0137 0.0115 0.0037 625 LYS 68 HG3 -0.0134 0.0053 0.0005 626 LYS 68 HD2 -0.0070 0.0138 -0.0019 627 LYS 68 HD3 -0.0065 0.0116 -0.0035 628 LYS 68 HE2 -0.0075 0.0026 -0.0067 629 LYS 68 HE3 -0.0077 0.0050 -0.0053 630 LYS 68 HZ1 -0.0008 0.0108 -0.0095 631 LYS 68 HZ2 -0.0010 0.0044 -0.0124 632 LYS 68 HZ3 -0.0007 0.0084 -0.0107 633 LYS 69 N -0.0083 0.0150 0.0151 634 LYS 69 CA -0.0101 0.0125 0.0108 635 LYS 69 C -0.0168 0.0121 0.0232 636 LYS 69 O -0.0132 0.0152 0.0259 637 LYS 69 CB -0.0180 0.0040 -0.0006 638 LYS 69 CG -0.0243 -0.0011 -0.0042 639 LYS 69 CD -0.0327 -0.0095 -0.0145 640 LYS 69 CE -0.0405 -0.0158 -0.0188 641 LYS 69 NZ -0.0487 -0.0239 -0.0284 642 LYS 69 H -0.0117 0.0112 0.0099 643 LYS 69 HA -0.0014 0.0167 0.0067 644 LYS 69 HB2 -0.0122 0.0047 -0.0100 645 LYS 69 HB3 -0.0250 0.0006 0.0025 646 LYS 69 HG2 -0.0295 -0.0013 0.0056 647 LYS 69 HG3 -0.0176 0.0018 -0.0086 648 LYS 69 HD2 -0.0268 -0.0087 -0.0238 649 LYS 69 HD3 -0.0386 -0.0119 -0.0100 650 LYS 69 HE2 -0.0461 -0.0165 -0.0096 651 LYS 69 HE3 -0.0347 -0.0138 -0.0243 652 LYS 69 HZ1 -0.0547 -0.0286 -0.0314 653 LYS 69 HZ2 -0.0542 -0.0258 -0.0233 654 LYS 69 HZ3 -0.0435 -0.0234 -0.0372 655 ARG 70 N -0.0279 0.0211 0.0224 656 ARG 70 CA -0.0136 0.0158 0.0198 657 ARG 70 C -0.0141 0.0060 0.0151 658 ARG 70 O -0.0037 0.0046 0.0144 659 ARG 70 CB -0.0078 0.0094 0.0167 660 ARG 70 CG 0.0079 0.0048 0.0144 661 ARG 70 CD 0.0178 0.0162 0.0199 662 ARG 70 NE 0.0328 0.0121 0.0178 663 ARG 70 CZ 0.0424 0.0180 0.0206 664 ARG 70 NH1 0.0385 0.0284 0.0256 665 ARG 70 NH2 0.0559 0.0136 0.0184 666 ARG 70 H -0.0331 0.0187 0.0213 667 ARG 70 HA -0.0067 0.0239 0.0237 668 ARG 70 HB2 -0.0091 0.0159 0.0198 669 ARG 70 HB3 -0.0145 0.0009 0.0126 670 ARG 70 HG2 0.0112 0.0007 0.0124 671 ARG 70 HG3 0.0087 -0.0024 0.0109 672 ARG 70 HD2 0.0143 0.0206 0.0220 673 ARG 70 HD3 0.0173 0.0233 0.0233 674 ARG 70 HE 0.0358 0.0046 0.0142 675 ARG 70 HH11 0.0285 0.0323 0.0275 676 ARG 70 HH12 0.0455 0.0329 0.0278 677 ARG 70 HH21 0.0590 0.0058 0.0147 678 ARG 70 HH22 0.0635 0.0176 0.0203 679 LEU 71 N -0.0138 0.0105 0.0163 680 LEU 71 CA -0.0127 0.0074 0.0166 681 LEU 71 C -0.0111 0.0047 0.0145 682 LEU 71 O -0.0099 0.0028 0.0128 683 LEU 71 CB -0.0131 0.0061 0.0205 684 LEU 71 CG -0.0147 0.0085 0.0230 685 LEU 71 CD1 -0.0149 0.0068 0.0268 686 LEU 71 CD2 -0.0148 0.0098 0.0216 687 LEU 71 H -0.0146 0.0112 0.0184 688 LEU 71 HA -0.0126 0.0079 0.0155 689 LEU 71 HB2 -0.0131 0.0055 0.0215 690 LEU 71 HB3 -0.0122 0.0037 0.0206 691 LEU 71 HG -0.0156 0.0107 0.0232 692 LEU 71 HD11 -0.0140 0.0045 0.0267 693 LEU 71 HD12 -0.0149 0.0060 0.0278 694 LEU 71 HD13 -0.0160 0.0085 0.0285 695 LEU 71 HD21 -0.0148 0.0112 0.0191 696 LEU 71 HD22 -0.0139 0.0076 0.0214 697 LEU 71 HD23 -0.0159 0.0114 0.0235 698 LYS 72 N -0.0073 0.0032 0.0169 699 LYS 72 CA -0.0021 0.0039 0.0135 700 LYS 72 C 0.0020 0.0058 0.0096 701 LYS 72 O 0.0077 0.0041 0.0083 702 LYS 72 CB -0.0046 0.0077 0.0111 703 LYS 72 CG 0.0004 0.0087 0.0076 704 LYS 72 CD -0.0024 0.0122 0.0057 705 LYS 72 CE 0.0026 0.0131 0.0022 706 LYS 72 NZ -0.0001 0.0164 0.0004 707 LYS 72 H -0.0116 0.0052 0.0171 708 LYS 72 HA 0.0006 0.0004 0.0156 709 LYS 72 HB2 -0.0076 0.0063 0.0140 710 LYS 72 HB3 -0.0074 0.0112 0.0091 711 LYS 72 HG2 0.0031 0.0104 0.0046 712 LYS 72 HG3 0.0034 0.0051 0.0095 713 LYS 72 HD2 -0.0052 0.0105 0.0087 714 LYS 72 HD3 -0.0054 0.0157 0.0037 715 LYS 72 HE2 0.0052 0.0149 -0.0009 716 LYS 72 HE3 0.0056 0.0095 0.0041 717 LYS 72 HZ1 -0.0030 0.0198 -0.0015 718 LYS 72 HZ2 -0.0027 0.0147 0.0033 719 LYS 72 HZ3 0.0034 0.0169 -0.0020 720 GLN 73 N -0.0174 0.0089 0.0181 721 GLN 73 CA -0.0094 0.0109 0.0201 722 GLN 73 C -0.0062 0.0067 0.0082 723 GLN 73 O -0.0064 0.0065 0.0078 724 GLN 73 CB 0.0030 0.0151 0.0258 725 GLN 73 CG 0.0010 0.0197 0.0381 726 GLN 73 CD 0.0135 0.0237 0.0432 727 GLN 73 OE1 0.0229 0.0225 0.0365 728 GLN 73 NE2 0.0138 0.0285 0.0550 729 GLN 73 H -0.0139 0.0098 0.0192 730 GLN 73 HA -0.0147 0.0125 0.0262 731 GLN 73 HB2 0.0082 0.0135 0.0198 732 GLN 73 HB3 0.0089 0.0165 0.0269 733 GLN 73 HG2 -0.0036 0.0215 0.0443 734 GLN 73 HG3 -0.0051 0.0184 0.0371 735 GLN 73 HE21 0.0061 0.0291 0.0597 736 GLN 73 HE22 0.0216 0.0312 0.0588 737 LEU 74 N -0.0103 0.0033 -0.0048 738 LEU 74 CA -0.0095 0.0039 -0.0199 739 LEU 74 C -0.0161 -0.0118 -0.0247 740 LEU 74 O -0.0166 -0.0141 -0.0386 741 LEU 74 CB -0.0045 0.0158 -0.0181 742 LEU 74 CG -0.0025 0.0192 -0.0334 743 LEU 74 CD1 0.0003 0.0247 -0.0473 744 LEU 74 CD2 0.0025 0.0311 -0.0294 745 LEU 74 H -0.0091 0.0070 0.0055 746 LEU 74 HA -0.0077 0.0073 -0.0295 747 LEU 74 HB2 -0.0002 0.0261 -0.0132 748 LEU 74 HB3 -0.0068 0.0112 -0.0089 749 LEU 74 HG -0.0067 0.0091 -0.0376 750 LEU 74 HD11 0.0018 0.0272 -0.0578 751 LEU 74 HD12 0.0045 0.0347 -0.0434 752 LEU 74 HD13 -0.0033 0.0159 -0.0507 753 LEU 74 HD21 0.0067 0.0414 -0.0251 754 LEU 74 HD22 0.0038 0.0334 -0.0403 755 LEU 74 HD23 0.0004 0.0269 -0.0198 756 SER 75 N -0.0079 -0.0091 -0.0176 757 SER 75 CA -0.0038 -0.0300 -0.0154 758 SER 75 C -0.0006 -0.0230 -0.0005 759 SER 75 O 0.0011 -0.0352 -0.0015 760 SER 75 CB -0.0091 -0.0417 -0.0399 761 SER 75 OG -0.0051 -0.0628 -0.0382 762 SER 75 H -0.0052 -0.0082 -0.0080 763 SER 75 HA 0.0012 -0.0428 -0.0055 764 SER 75 HB2 -0.0110 -0.0465 -0.0492 765 SER 75 HB3 -0.0141 -0.0288 -0.0497 766 SER 75 HG -0.0063 -0.0750 -0.0490 767 VAL 76 N -0.0003 -0.0153 0.0051 768 VAL 76 CA -0.0016 -0.0162 0.0141 769 VAL 76 C 0.0007 -0.0248 0.0216 770 VAL 76 O 0.0034 -0.0316 0.0239 771 VAL 76 CB -0.0069 -0.0068 0.0200 772 VAL 76 CG1 -0.0082 -0.0079 0.0295 773 VAL 76 CG2 -0.0094 0.0018 0.0129 774 VAL 76 H -0.0026 -0.0095 0.0038 775 VAL 76 HA -0.0005 -0.0175 0.0113 776 VAL 76 HB -0.0079 -0.0056 0.0225 777 VAL 76 HG11 -0.0119 -0.0013 0.0335 778 VAL 76 HG12 -0.0071 -0.0094 0.0271 779 VAL 76 HG13 -0.0066 -0.0139 0.0348 780 VAL 76 HG21 -0.0130 0.0083 0.0170 781 VAL 76 HG22 -0.0085 0.0026 0.0063 782 VAL 76 HG23 -0.0083 0.0006 0.0100 783 GLU 77 N 0.0043 -0.0196 0.0271 784 GLU 77 CA 0.0071 -0.0218 0.0291 785 GLU 77 C 0.0087 -0.0202 0.0236 786 GLU 77 O 0.0045 -0.0176 0.0220 787 GLU 77 CB 0.0031 -0.0224 0.0351 788 GLU 77 CG -0.0038 -0.0189 0.0346 789 GLU 77 CD -0.0074 -0.0197 0.0404 790 GLU 77 OE1 -0.0089 -0.0211 0.0454 791 GLU 77 OE2 -0.0087 -0.0189 0.0402 792 GLU 77 H 0.0014 -0.0169 0.0241 793 GLU 77 HA 0.0115 -0.0245 0.0304 794 GLU 77 HB2 0.0052 -0.0237 0.0358 795 GLU 77 HB3 0.0033 -0.0243 0.0392 796 GLU 77 HG2 -0.0060 -0.0176 0.0340 797 GLU 77 HG3 -0.0039 -0.0171 0.0304 798 PRO 78 N 0.0290 -0.0444 0.0248 799 PRO 78 CA 0.0311 -0.0343 0.0156 800 PRO 78 C 0.0203 -0.0396 0.0267 801 PRO 78 O 0.0239 -0.0562 0.0372 802 PRO 78 CB 0.0535 -0.0411 0.0066 803 PRO 78 CG 0.0626 -0.0498 0.0075 804 PRO 78 CD 0.0479 -0.0574 0.0228 805 PRO 78 HA 0.0255 -0.0195 0.0077 806 PRO 78 HB2 0.0569 -0.0510 0.0121 807 PRO 78 HB3 0.0582 -0.0295 -0.0054 808 PRO 78 HG2 0.0763 -0.0608 0.0073 809 PRO 78 HG3 0.0652 -0.0395 -0.0022 810 PRO 78 HD2 0.0499 -0.0712 0.0322 811 PRO 78 HD3 0.0490 -0.0572 0.0220 812 TYR 79 N 0.0080 -0.0146 0.0217 813 TYR 79 CA -0.0016 -0.0130 0.0163 814 TYR 79 C -0.0074 -0.0234 0.0144 815 TYR 79 O -0.0076 -0.0298 0.0152 816 TYR 79 CB -0.0018 -0.0075 0.0155 817 TYR 79 CG 0.0028 0.0036 0.0166 818 TYR 79 CD1 0.0123 0.0054 0.0215 819 TYR 79 CD2 -0.0024 0.0123 0.0127 820 TYR 79 CE1 0.0165 0.0155 0.0225 821 TYR 79 CE2 0.0018 0.0224 0.0136 822 TYR 79 CZ 0.0113 0.0239 0.0186 823 TYR 79 OH 0.0155 0.0341 0.0196 824 TYR 79 H 0.0099 -0.0115 0.0223 825 TYR 79 HA -0.0046 -0.0080 0.0140 826 TYR 79 HB2 0.0018 -0.0121 0.0180 827 TYR 79 HB3 -0.0090 -0.0070 0.0115 828 TYR 79 HD1 0.0164 -0.0013 0.0246 829 TYR 79 HD2 -0.0098 0.0110 0.0088 830 TYR 79 HE1 0.0240 0.0166 0.0264 831 TYR 79 HE2 -0.0024 0.0290 0.0105 832 TYR 79 HH 0.0133 0.0372 0.0180 833 SER 80 N -0.0084 -0.0076 0.0048 834 SER 80 CA -0.0095 -0.0062 0.0069 835 SER 80 C -0.0052 -0.0066 0.0046 836 SER 80 O -0.0009 -0.0074 0.0019 837 SER 80 CB -0.0154 -0.0086 0.0066 838 SER 80 OG -0.0171 -0.0072 0.0090 839 SER 80 H -0.0095 -0.0104 0.0018 840 SER 80 HA -0.0093 -0.0033 0.0104 841 SER 80 HB2 -0.0182 -0.0084 0.0080 842 SER 80 HB3 -0.0156 -0.0115 0.0031 843 SER 80 HG -0.0181 -0.0050 0.0121 844 GLN 81 N 0.0017 0.0034 -0.0165 845 GLN 81 CA 0.0102 0.0029 -0.0185 846 GLN 81 C 0.0128 -0.0060 -0.0184 847 GLN 81 O 0.0088 -0.0112 -0.0170 848 GLN 81 CB 0.0141 0.0070 -0.0198 849 GLN 81 CG 0.0229 0.0078 -0.0220 850 GLN 81 CD 0.0270 0.0112 -0.0233 851 GLN 81 OE1 0.0246 0.0100 -0.0226 852 GLN 81 NE2 0.0333 0.0154 -0.0252 853 GLN 81 H -0.0010 0.0050 -0.0160 854 GLN 81 HA 0.0119 0.0059 -0.0192 855 GLN 81 HB2 0.0115 0.0130 -0.0197 856 GLN 81 HB3 0.0130 0.0035 -0.0192 857 GLN 81 HG2 0.0254 0.0019 -0.0221 858 GLN 81 HG3 0.0240 0.0117 -0.0226 859 GLN 81 HE21 0.0349 0.0161 -0.0256 860 GLN 81 HE22 0.0362 0.0176 -0.0260 861 GLU 82 N 0.0248 -0.0071 -0.0173 862 GLU 82 CA 0.0263 -0.0103 -0.0148 863 GLU 82 C 0.0239 -0.0152 -0.0156 864 GLU 82 O 0.0247 -0.0184 -0.0138 865 GLU 82 CB 0.0273 -0.0081 -0.0146 866 GLU 82 CG 0.0291 -0.0110 -0.0120 867 GLU 82 CD 0.0301 -0.0085 -0.0119 868 GLU 82 OE1 0.0277 -0.0084 -0.0141 869 GLU 82 OE2 0.0333 -0.0066 -0.0095 870 GLU 82 H 0.0258 -0.0066 -0.0165 871 GLU 82 HA 0.0287 -0.0107 -0.0124 872 GLU 82 HB2 0.0292 -0.0048 -0.0139 873 GLU 82 HB3 0.0249 -0.0075 -0.0170 874 GLU 82 HG2 0.0272 -0.0143 -0.0127 875 GLU 82 HG3 0.0315 -0.0117 -0.0096 876 GLU 83 N 0.0110 -0.0170 -0.0201 877 GLU 83 CA 0.0069 -0.0161 -0.0166 878 GLU 83 C 0.0045 -0.0099 -0.0185 879 GLU 83 O 0.0043 -0.0086 -0.0192 880 GLU 83 CB 0.0034 -0.0182 -0.0118 881 GLU 83 CG -0.0011 -0.0174 -0.0079 882 GLU 83 CD -0.0041 -0.0201 -0.0031 883 GLU 83 OE1 -0.0067 -0.0178 -0.0023 884 GLU 83 OE2 -0.0040 -0.0247 -0.0001 885 GLU 83 H 0.0107 -0.0147 -0.0213 886 GLU 83 HA 0.0082 -0.0186 -0.0163 887 GLU 83 HB2 0.0053 -0.0226 -0.0106 888 GLU 83 HB3 0.0023 -0.0159 -0.0122 889 GLU 83 HG2 -0.0033 -0.0130 -0.0088 890 GLU 83 HG3 -0.0001 -0.0193 -0.0076 891 ALA 84 N -0.0027 -0.0133 -0.0155 892 ALA 84 CA -0.0116 -0.0077 -0.0220 893 ALA 84 C -0.0090 -0.0066 -0.0336 894 ALA 84 O -0.0140 -0.0027 -0.0415 895 ALA 84 CB -0.0152 -0.0059 -0.0222 896 ALA 84 H 0.0025 -0.0156 -0.0165 897 ALA 84 HA -0.0174 -0.0056 -0.0180 898 ALA 84 HB1 -0.0216 -0.0018 -0.0272 899 ALA 84 HB2 -0.0092 -0.0081 -0.0258 900 ALA 84 HB3 -0.0176 -0.0064 -0.0139 901 GLU 85 N 0.0057 -0.0116 -0.0288 902 GLU 85 CA 0.0110 -0.0088 -0.0307 903 GLU 85 C 0.0176 -0.0110 -0.0255 904 GLU 85 O 0.0219 -0.0101 -0.0253 905 GLU 85 CB 0.0131 -0.0036 -0.0368 906 GLU 85 CG 0.0176 -0.0000 -0.0398 907 GLU 85 CD 0.0256 -0.0002 -0.0369 908 GLU 85 OE1 0.0304 0.0022 -0.0384 909 GLU 85 OE2 0.0273 -0.0027 -0.0331 910 GLU 85 H 0.0074 -0.0139 -0.0252 911 GLU 85 HA 0.0089 -0.0090 -0.0311 912 GLU 85 HB2 0.0081 -0.0025 -0.0398 913 GLU 85 HB3 0.0162 -0.0034 -0.0359 914 GLU 85 HG2 0.0148 -0.0015 -0.0389 915 GLU 85 HG3 0.0170 0.0035 -0.0446 916 ARG 86 N 0.0288 -0.0184 -0.0409 917 ARG 86 CA 0.0409 -0.0214 -0.0262 918 ARG 86 C 0.0428 -0.0210 -0.0302 919 ARG 86 O 0.0290 -0.0187 -0.0384 920 ARG 86 CB 0.0335 -0.0238 -0.0041 921 ARG 86 CG 0.0102 -0.0223 -0.0003 922 ARG 86 CD 0.0005 -0.0211 -0.0033 923 ARG 86 NE -0.0218 -0.0195 -0.0012 924 ARG 86 CZ -0.0350 -0.0177 -0.0067 925 ARG 86 NH1 -0.0283 -0.0173 -0.0138 926 ARG 86 NH2 -0.0549 -0.0162 -0.0049 927 ARG 86 H 0.0147 -0.0168 -0.0435 928 ARG 86 HA 0.0561 -0.0224 -0.0278 929 ARG 86 HB2 0.0403 -0.0257 0.0060 930 ARG 86 HB3 0.0390 -0.0248 -0.0000 931 ARG 86 HG2 0.0071 -0.0241 0.0152 932 ARG 86 HG3 0.0031 -0.0203 -0.0105 933 ARG 86 HD2 0.0046 -0.0194 -0.0182 934 ARG 86 HD3 0.0063 -0.0231 0.0081 935 ARG 86 HE -0.0271 -0.0198 0.0044 936 ARG 86 HH11 -0.0135 -0.0183 -0.0154 937 ARG 86 HH12 -0.0380 -0.0159 -0.0179 938 ARG 86 HH21 -0.0605 -0.0165 0.0004 939 ARG 86 HH22 -0.0653 -0.0148 -0.0090 940 ALA 87 N 0.0112 -0.0107 0.0029 941 ALA 87 CA -0.0174 -0.0078 0.0386 942 ALA 87 C -0.0192 0.0106 0.0136 943 ALA 87 O -0.0521 0.0345 0.0241 944 ALA 87 CB -0.0609 0.0189 0.0596 945 ALA 87 H 0.0005 0.0144 -0.0196 946 ALA 87 HA -0.0057 -0.0377 0.0668 947 ALA 87 HB1 -0.0721 0.0484 0.0311 948 ALA 87 HB2 -0.0592 0.0055 0.0771 949 ALA 87 HB3 -0.0825 0.0218 0.0854 950 ALA 88 N -0.0084 -0.0078 0.0135 951 ALA 88 CA -0.0057 -0.0042 0.0005 952 ALA 88 C 0.0104 -0.0206 0.0022 953 ALA 88 O 0.0250 -0.0282 -0.0113 954 ALA 88 CB -0.0043 0.0059 -0.0232 955 ALA 88 H 0.0017 -0.0169 0.0120 956 ALA 88 HA -0.0169 0.0035 0.0071 957 ALA 88 HB1 0.0070 -0.0016 -0.0302 958 ALA 88 HB2 -0.0160 0.0176 -0.0239 959 ALA 88 HB3 -0.0027 0.0088 -0.0324 960 GLY 89 N 0.0204 -0.0220 0.0187 961 GLY 89 CA 0.0546 -0.0297 0.0194 962 GLY 89 C 0.0268 -0.0313 0.0313 963 GLY 89 O -0.0058 -0.0104 0.0091 964 GLY 89 H -0.0138 -0.0239 0.0334 965 GLY 89 HA2 0.0750 -0.0141 -0.0125 966 GLY 89 HA3 0.0804 -0.0500 0.0430 967 MET 90 N -0.0048 0.0078 -0.0394 968 MET 90 CA -0.0098 0.0056 -0.0284 969 MET 90 C -0.0174 0.0020 -0.0125 970 MET 90 O -0.0130 0.0100 -0.0004 971 MET 90 CB 0.0000 0.0170 -0.0248 972 MET 90 CG -0.0042 0.0149 -0.0163 973 MET 90 SD -0.0134 0.0110 0.0043 974 MET 90 CE -0.0152 0.0106 0.0101 975 MET 90 H -0.0071 0.0022 -0.0502 976 MET 90 HA -0.0156 -0.0025 -0.0349 977 MET 90 HB2 0.0059 0.0199 -0.0365 978 MET 90 HB3 0.0051 0.0245 -0.0171 979 MET 90 HG2 -0.0093 0.0073 -0.0241 980 MET 90 HG3 0.0035 0.0233 -0.0156 981 MET 90 HE1 -0.0195 0.0036 0.0014 982 MET 90 HE2 -0.0206 0.0084 0.0224 983 MET 90 HE3 -0.0067 0.0197 0.0099 984 GLY 91 N -0.0171 0.0110 -0.0323 985 GLY 91 CA -0.0175 0.0068 -0.0286 986 GLY 91 C -0.0194 -0.0018 -0.0178 987 GLY 91 O -0.0173 -0.0129 -0.0183 988 GLY 91 H -0.0154 0.0049 -0.0343 989 GLY 91 HA2 -0.0196 0.0146 -0.0265 990 GLY 91 HA3 -0.0144 0.0019 -0.0357 991 SER 92 N -0.0113 -0.0104 0.0076 992 SER 92 CA -0.0058 -0.0104 0.0129 993 SER 92 C 0.0038 -0.0153 0.0250 994 SER 92 O 0.0115 -0.0093 0.0291 995 SER 92 CB -0.0020 0.0036 0.0088 996 SER 92 OG -0.0112 0.0079 -0.0026 997 SER 92 H -0.0073 -0.0045 0.0081 998 SER 92 HA -0.0115 -0.0170 0.0111 999 SER 92 HB2 0.0037 0.0103 0.0107 1000 SER 92 HB3 0.0018 0.0036 0.0125 1001 SER 92 HG -0.0172 0.0016 -0.0048 1002 TYR 93 N 0.0167 -0.0112 0.0220 1003 TYR 93 CA 0.0101 -0.0069 0.0209 1004 TYR 93 C 0.0069 -0.0126 0.0253 1005 TYR 93 O 0.0114 -0.0189 0.0280 1006 TYR 93 CB 0.0143 -0.0005 0.0158 1007 TYR 93 CG 0.0079 0.0054 0.0139 1008 TYR 93 CD1 0.0038 0.0119 0.0108 1009 TYR 93 CD2 0.0059 0.0043 0.0150 1010 TYR 93 CE1 -0.0021 0.0172 0.0090 1011 TYR 93 CE2 0.0000 0.0096 0.0132 1012 TYR 93 CZ -0.0039 0.0161 0.0102 1013 TYR 93 OH -0.0098 0.0214 0.0084 1014 TYR 93 H 0.0222 -0.0134 0.0219 1015 TYR 93 HA 0.0047 -0.0043 0.0207 1016 TYR 93 HB2 0.0177 0.0027 0.0130 1017 TYR 93 HB3 0.0191 -0.0032 0.0163 1018 TYR 93 HD1 0.0053 0.0128 0.0099 1019 TYR 93 HD2 0.0090 -0.0008 0.0174 1020 TYR 93 HE1 -0.0052 0.0223 0.0066 1021 TYR 93 HE2 -0.0014 0.0087 0.0141 1022 TYR 93 HH -0.0140 0.0185 0.0112 1023 VAL 94 N -0.0108 0.0180 -0.0494 1024 VAL 94 CA -0.0002 0.0100 -0.0267 1025 VAL 94 C 0.0128 -0.0142 -0.0300 1026 VAL 94 O 0.0184 -0.0272 -0.0368 1027 VAL 94 CB 0.0011 0.0164 -0.0080 1028 VAL 94 CG1 0.0032 0.0086 -0.0169 1029 VAL 94 CG2 0.0119 0.0085 0.0157 1030 VAL 94 H -0.0153 0.0245 -0.0521 1031 VAL 94 HA -0.0028 0.0176 -0.0201 1032 VAL 94 HB -0.0079 0.0336 -0.0051 1033 VAL 94 HG11 0.0040 0.0134 -0.0034 1034 VAL 94 HG12 0.0120 -0.0086 -0.0207 1035 VAL 94 HG13 -0.0049 0.0154 -0.0329 1036 VAL 94 HG21 0.0210 -0.0086 0.0131 1037 VAL 94 HG22 0.0127 0.0131 0.0282 1038 VAL 94 HG23 0.0097 0.0156 0.0226