1 ASP 28 N 0.0372 -0.0810 -0.0236 2 ASP 28 CA 0.0242 -0.0824 -0.0198 3 ASP 28 C 0.0139 -0.0865 -0.0168 4 ASP 28 O 0.0135 -0.0803 -0.0167 5 ASP 28 CB 0.0201 -0.0686 -0.0188 6 ASP 28 CG 0.0068 -0.0691 -0.0149 7 ASP 28 OD1 0.0055 -0.0768 -0.0144 8 ASP 28 OD2 -0.0023 -0.0615 -0.0124 9 ASP 28 H 0.0445 -0.0780 -0.0258 10 ASP 28 HA 0.0249 -0.0904 -0.0199 11 ASP 28 HB2 0.0275 -0.0658 -0.0210 12 ASP 28 HB3 0.0197 -0.0606 -0.0188 13 PRO 29 N 0.0075 -0.0972 -0.0133 14 PRO 29 CA -0.0024 -0.1012 -0.0110 15 PRO 29 C -0.0128 -0.0901 -0.0093 16 PRO 29 O -0.0182 -0.0845 -0.0085 17 PRO 29 CB -0.0089 -0.1137 -0.0091 18 PRO 29 CG 0.0003 -0.1186 -0.0108 19 PRO 29 CD 0.0075 -0.1063 -0.0129 20 PRO 29 HA 0.0022 -0.1037 -0.0119 21 PRO 29 HB2 -0.0185 -0.1107 -0.0072 22 PRO 29 HB3 -0.0103 -0.1212 -0.0084 23 PRO 29 HG2 -0.0053 -0.1231 -0.0094 24 PRO 29 HG3 0.0073 -0.1258 -0.0119 25 PRO 29 HD2 0.0023 -0.1018 -0.0120 26 PRO 29 HD3 0.0175 -0.1092 -0.0148 27 ASN 30 N -0.0159 -0.0856 -0.0103 28 ASN 30 CA -0.0244 -0.0766 -0.0076 29 ASN 30 C -0.0209 -0.0643 -0.0074 30 ASN 30 O -0.0251 -0.0605 -0.0062 31 ASN 30 CB -0.0365 -0.0807 -0.0052 32 ASN 30 CG -0.0462 -0.0718 -0.0023 33 ASN 30 OD1 -0.0514 -0.0719 -0.0011 34 ASN 30 ND2 -0.0488 -0.0644 -0.0011 35 ASN 30 H -0.0130 -0.0905 -0.0113 36 ASN 30 HA -0.0243 -0.0759 -0.0076 37 ASN 30 HB2 -0.0386 -0.0889 -0.0053 38 ASN 30 HB3 -0.0356 -0.0826 -0.0055 39 ASN 30 HD21 -0.0445 -0.0649 -0.0021 40 ASN 30 HD22 -0.0549 -0.0586 0.0008 41 ALA 31 N -0.0134 -0.0552 -0.0079 42 ALA 31 CA -0.0099 -0.0435 -0.0086 43 ALA 31 C -0.0031 -0.0393 -0.0108 44 ALA 31 O 0.0067 -0.0410 -0.0143 45 ALA 31 CB -0.0039 -0.0422 -0.0107 46 ALA 31 H -0.0099 -0.0595 -0.0094 47 ALA 31 HA -0.0170 -0.0384 -0.0058 48 ALA 31 HB1 -0.0017 -0.0334 -0.0110 49 ALA 31 HB2 0.0033 -0.0471 -0.0134 50 ALA 31 HB3 -0.0088 -0.0451 -0.0091 51 GLU 32 N -0.0094 -0.0333 -0.0080 52 GLU 32 CA -0.0050 -0.0290 -0.0093 53 GLU 32 C -0.0026 -0.0199 -0.0097 54 GLU 32 O 0.0026 -0.0155 -0.0112 55 GLU 32 CB -0.0104 -0.0287 -0.0075 56 GLU 32 CG -0.0184 -0.0238 -0.0047 57 GLU 32 CD -0.0232 -0.0235 -0.0031 58 GLU 32 OE1 -0.0219 -0.0174 -0.0033 59 GLU 32 OE2 -0.0284 -0.0294 -0.0017 60 GLU 32 H -0.0154 -0.0333 -0.0061 61 GLU 32 HA 0.0003 -0.0329 -0.0112 62 GLU 32 HB2 -0.0068 -0.0257 -0.0086 63 GLU 32 HB3 -0.0119 -0.0354 -0.0073 64 GLU 32 HG2 -0.0222 -0.0269 -0.0036 65 GLU 32 HG3 -0.0170 -0.0172 -0.0049 66 PHE 33 N -0.0048 -0.0165 -0.0089 67 PHE 33 CA -0.0035 -0.0070 -0.0090 68 PHE 33 C 0.0016 -0.0068 -0.0114 69 PHE 33 O 0.0028 -0.0141 -0.0126 70 PHE 33 CB -0.0121 -0.0025 -0.0044 71 PHE 33 CG -0.0178 -0.0081 -0.0019 72 PHE 33 CD1 -0.0173 -0.0071 -0.0021 73 PHE 33 CD2 -0.0238 -0.0144 0.0007 74 PHE 33 CE1 -0.0225 -0.0123 0.0002 75 PHE 33 CE2 -0.0290 -0.0196 0.0029 76 PHE 33 CZ -0.0283 -0.0185 0.0027 77 PHE 33 H -0.0089 -0.0206 -0.0072 78 PHE 33 HA -0.0001 -0.0031 -0.0104 79 PHE 33 HB2 -0.0110 0.0043 -0.0044 80 PHE 33 HB3 -0.0152 -0.0018 -0.0028 81 PHE 33 HD1 -0.0127 -0.0023 -0.0041 82 PHE 33 HD2 -0.0243 -0.0152 0.0009 83 PHE 33 HE1 -0.0219 -0.0115 -0.0001 84 PHE 33 HE2 -0.0336 -0.0244 0.0049 85 PHE 33 HZ -0.0324 -0.0226 0.0044 86 ASP 34 N -0.0003 0.0016 -0.0124 87 ASP 34 CA 0.0020 0.0041 -0.0144 88 ASP 34 C 0.0005 0.0076 -0.0115 89 ASP 34 O -0.0010 0.0100 -0.0088 90 ASP 34 CB 0.0050 0.0068 -0.0172 91 ASP 34 CG 0.0076 0.0090 -0.0197 92 ASP 34 OD1 0.0074 0.0126 -0.0183 93 ASP 34 OD2 0.0098 0.0070 -0.0231 94 ASP 34 H -0.0006 0.0033 -0.0114 95 ASP 34 HA 0.0026 0.0015 -0.0159 96 ASP 34 HB2 0.0059 0.0044 -0.0190 97 ASP 34 HB3 0.0044 0.0096 -0.0156 98 PRO 35 N 0.0007 0.0059 -0.0120 99 PRO 35 CA -0.0013 0.0101 -0.0084 100 PRO 35 C 0.0017 0.0172 -0.0093 101 PRO 35 O 0.0004 0.0210 -0.0065 102 PRO 35 CB -0.0018 0.0063 -0.0092 103 PRO 35 CG 0.0024 0.0033 -0.0148 104 PRO 35 CD 0.0032 0.0017 -0.0162 105 PRO 35 HA -0.0048 0.0104 -0.0045 106 PRO 35 HB2 -0.0017 0.0096 -0.0082 107 PRO 35 HB3 -0.0050 0.0025 -0.0070 108 PRO 35 HG2 0.0055 0.0069 -0.0169 109 PRO 35 HG3 0.0017 -0.0011 -0.0156 110 PRO 35 HD2 0.0069 0.0029 -0.0199 111 PRO 35 HD3 0.0016 -0.0035 -0.0163 112 ASP 36 N 0.0049 0.0178 -0.0130 113 ASP 36 CA 0.0069 0.0223 -0.0136 114 ASP 36 C 0.0065 0.0235 -0.0116 115 ASP 36 O 0.0072 0.0273 -0.0099 116 ASP 36 CB 0.0094 0.0228 -0.0183 117 ASP 36 CG 0.0115 0.0274 -0.0190 118 ASP 36 OD1 0.0123 0.0304 -0.0181 119 ASP 36 OD2 0.0125 0.0279 -0.0205 120 ASP 36 H 0.0048 0.0154 -0.0149 121 ASP 36 HA 0.0070 0.0245 -0.0119 122 ASP 36 HB2 0.0097 0.0221 -0.0195 123 ASP 36 HB3 0.0092 0.0205 -0.0200 124 LEU 37 N 0.0049 0.0203 -0.0114 125 LEU 37 CA 0.0044 0.0205 -0.0096 126 LEU 37 C 0.0026 0.0201 -0.0058 127 LEU 37 O 0.0010 0.0178 -0.0050 128 LEU 37 CB 0.0036 0.0181 -0.0116 129 LEU 37 CG 0.0054 0.0189 -0.0150 130 LEU 37 CD1 0.0071 0.0222 -0.0144 131 LEU 37 CD2 0.0064 0.0188 -0.0180 132 LEU 37 H 0.0041 0.0182 -0.0127 133 LEU 37 HA 0.0058 0.0230 -0.0096 134 LEU 37 HB2 0.0024 0.0158 -0.0122 135 LEU 37 HB3 0.0028 0.0179 -0.0097 136 LEU 37 HG 0.0046 0.0171 -0.0159 137 LEU 37 HD11 0.0083 0.0226 -0.0168 138 LEU 37 HD12 0.0079 0.0241 -0.0134 139 LEU 37 HD13 0.0064 0.0222 -0.0124 140 LEU 37 HD21 0.0076 0.0194 -0.0204 141 LEU 37 HD22 0.0052 0.0164 -0.0186 142 LEU 37 HD23 0.0072 0.0205 -0.0171 143 PRO 38 N 0.0032 0.0214 -0.0039 144 PRO 38 CA 0.0024 0.0210 -0.0009 145 PRO 38 C 0.0006 0.0184 -0.0004 146 PRO 38 O 0.0001 0.0173 -0.0014 147 PRO 38 CB 0.0033 0.0228 0.0007 148 PRO 38 CG 0.0049 0.0247 -0.0014 149 PRO 38 CD 0.0045 0.0234 -0.0044 150 PRO 38 HA 0.0025 0.0215 -0.0001 151 PRO 38 HB2 0.0025 0.0217 0.0011 152 PRO 38 HB3 0.0035 0.0236 0.0027 153 PRO 38 HG2 0.0053 0.0254 -0.0011 154 PRO 38 HG3 0.0058 0.0261 -0.0010 155 PRO 38 HD2 0.0041 0.0226 -0.0052 156 PRO 38 HD3 0.0056 0.0246 -0.0058 157 GLY 39 N -0.0012 0.0176 0.0013 158 GLY 39 CA -0.0025 0.0154 0.0018 159 GLY 39 C -0.0033 0.0141 -0.0004 160 GLY 39 O -0.0044 0.0123 -0.0007 161 GLY 39 H -0.0007 0.0185 0.0020 162 GLY 39 HA2 -0.0028 0.0150 0.0033 163 GLY 39 HA3 -0.0028 0.0149 0.0022 164 GLY 40 N -0.0044 0.0153 -0.0023 165 GLY 40 CA -0.0039 0.0124 -0.0051 166 GLY 40 C -0.0020 0.0125 -0.0075 167 GLY 40 O -0.0015 0.0100 -0.0098 168 GLY 40 H -0.0037 0.0171 -0.0019 169 GLY 40 HA2 -0.0031 0.0123 -0.0061 170 GLY 40 HA3 -0.0058 0.0100 -0.0044 171 GLY 41 N -0.0012 0.0140 -0.0069 172 GLY 41 CA -0.0006 0.0139 -0.0084 173 GLY 41 C -0.0024 0.0118 -0.0079 174 GLY 41 O -0.0022 0.0112 -0.0093 175 GLY 41 H -0.0010 0.0153 -0.0052 176 GLY 41 HA2 0.0004 0.0157 -0.0076 177 GLY 41 HA3 0.0002 0.0136 -0.0107 178 LEU 42 N -0.0026 0.0114 -0.0058 179 LEU 42 CA -0.0039 0.0101 -0.0054 180 LEU 42 C -0.0046 0.0120 -0.0038 181 LEU 42 O -0.0055 0.0112 -0.0034 182 LEU 42 CB -0.0061 0.0080 -0.0047 183 LEU 42 CG -0.0058 0.0059 -0.0061 184 LEU 42 CD1 -0.0081 0.0041 -0.0052 185 LEU 42 CD2 -0.0044 0.0043 -0.0082 186 LEU 42 H -0.0035 0.0117 -0.0049 187 LEU 42 HA -0.0030 0.0090 -0.0068 188 LEU 42 HB2 -0.0071 0.0091 -0.0032 189 LEU 42 HB3 -0.0071 0.0071 -0.0044 190 LEU 42 HG -0.0049 0.0069 -0.0064 191 LEU 42 HD11 -0.0078 0.0026 -0.0062 192 LEU 42 HD12 -0.0091 0.0031 -0.0048 193 LEU 42 HD13 -0.0090 0.0052 -0.0037 194 LEU 42 HD21 -0.0053 0.0034 -0.0080 195 LEU 42 HD22 -0.0042 0.0028 -0.0092 196 LEU 42 HD23 -0.0027 0.0057 -0.0089 197 HIS 43 N -0.0035 0.0105 -0.0014 198 HIS 43 CA -0.0035 0.0102 -0.0001 199 HIS 43 C -0.0031 0.0113 -0.0007 200 HIS 43 O -0.0022 0.0129 -0.0004 201 HIS 43 CB -0.0031 0.0106 0.0020 202 HIS 43 CG -0.0035 0.0097 0.0028 203 HIS 43 ND1 -0.0042 0.0081 0.0036 204 HIS 43 CD2 -0.0032 0.0103 0.0029 205 HIS 43 CE1 -0.0044 0.0077 0.0042 206 HIS 43 NE2 -0.0037 0.0090 0.0038 207 HIS 43 H -0.0029 0.0117 -0.0017 208 HIS 43 HA -0.0042 0.0088 -0.0001 209 HIS 43 HB2 -0.0024 0.0120 0.0021 210 HIS 43 HB3 -0.0032 0.0102 0.0030 211 HIS 43 HD1 -0.0046 0.0073 0.0037 212 HIS 43 HD2 -0.0026 0.0116 0.0024 213 HIS 43 HE1 -0.0049 0.0064 0.0050 214 HIS 43 HE2 -0.0038 0.0090 0.0038 215 ARG 44 N -0.0049 0.0104 -0.0013 216 ARG 44 CA -0.0040 0.0113 -0.0017 217 ARG 44 C -0.0047 0.0105 -0.0004 218 ARG 44 O -0.0061 0.0089 -0.0000 219 ARG 44 CB -0.0043 0.0113 -0.0042 220 ARG 44 CG -0.0041 0.0116 -0.0060 221 ARG 44 CD -0.0045 0.0113 -0.0084 222 ARG 44 NE -0.0045 0.0115 -0.0102 223 ARG 44 CZ -0.0046 0.0116 -0.0125 224 ARG 44 NH1 -0.0049 0.0113 -0.0132 225 ARG 44 NH2 -0.0046 0.0118 -0.0140 226 ARG 44 H -0.0060 0.0092 -0.0016 227 ARG 44 HA -0.0027 0.0126 -0.0013 228 ARG 44 HB2 -0.0054 0.0101 -0.0044 229 ARG 44 HB3 -0.0034 0.0122 -0.0045 230 ARG 44 HG2 -0.0028 0.0129 -0.0059 231 ARG 44 HG3 -0.0049 0.0107 -0.0056 232 ARG 44 HD2 -0.0057 0.0101 -0.0084 233 ARG 44 HD3 -0.0037 0.0123 -0.0087 234 ARG 44 HE -0.0043 0.0117 -0.0097 235 ARG 44 HH11 -0.0050 0.0112 -0.0120 236 ARG 44 HH12 -0.0051 0.0113 -0.0148 237 ARG 44 HH21 -0.0044 0.0120 -0.0136 238 ARG 44 HH22 -0.0047 0.0118 -0.0157 239 CYS 45 N -0.0044 0.0107 -0.0001 240 CYS 45 CA -0.0051 0.0095 0.0004 241 CYS 45 C -0.0059 0.0099 -0.0010 242 CYS 45 O -0.0053 0.0110 -0.0015 243 CYS 45 CB -0.0041 0.0094 0.0018 244 CYS 45 SG -0.0050 0.0080 0.0024 245 CYS 45 H -0.0035 0.0117 -0.0002 246 CYS 45 HA -0.0059 0.0085 0.0006 247 CYS 45 HB2 -0.0037 0.0090 0.0028 248 CYS 45 HB3 -0.0032 0.0104 0.0017 249 LEU 46 N -0.0077 0.0090 -0.0014 250 LEU 46 CA -0.0084 0.0093 -0.0026 251 LEU 46 C -0.0080 0.0092 -0.0021 252 LEU 46 O -0.0078 0.0099 -0.0030 253 LEU 46 CB -0.0100 0.0084 -0.0031 254 LEU 46 CG -0.0104 0.0085 -0.0037 255 LEU 46 CD1 -0.0120 0.0076 -0.0041 256 LEU 46 CD2 -0.0100 0.0096 -0.0051 257 LEU 46 H -0.0083 0.0083 -0.0010 258 LEU 46 HA -0.0080 0.0101 -0.0036 259 LEU 46 HB2 -0.0104 0.0076 -0.0022 260 LEU 46 HB3 -0.0105 0.0086 -0.0040 261 LEU 46 HG -0.0099 0.0083 -0.0029 262 LEU 46 HD11 -0.0123 0.0067 -0.0031 263 LEU 46 HD12 -0.0123 0.0076 -0.0045 264 LEU 46 HD13 -0.0126 0.0077 -0.0049 265 LEU 46 HD21 -0.0088 0.0103 -0.0048 266 LEU 46 HD22 -0.0104 0.0098 -0.0059 267 LEU 46 HD23 -0.0103 0.0096 -0.0055 268 ALA 47 N -0.0095 0.0084 -0.0002 269 ALA 47 CA -0.0094 0.0078 0.0005 270 ALA 47 C -0.0077 0.0086 0.0006 271 ALA 47 O -0.0075 0.0084 0.0009 272 ALA 47 CB -0.0094 0.0063 0.0020 273 ALA 47 H -0.0095 0.0080 0.0003 274 ALA 47 HA -0.0105 0.0077 -0.0000 275 ALA 47 HB1 -0.0093 0.0058 0.0026 276 ALA 47 HB2 -0.0082 0.0063 0.0026 277 ALA 47 HB3 -0.0106 0.0057 0.0020 278 CYS 48 N -0.0057 0.0101 -0.0011 279 CYS 48 CA -0.0042 0.0114 -0.0009 280 CYS 48 C -0.0039 0.0127 -0.0025 281 CYS 48 O -0.0027 0.0139 -0.0027 282 CYS 48 CB -0.0030 0.0113 0.0007 283 CYS 48 SG -0.0031 0.0100 0.0025 284 CYS 48 H -0.0061 0.0098 -0.0011 285 CYS 48 HA -0.0041 0.0114 -0.0009 286 CYS 48 HB2 -0.0030 0.0111 0.0010 287 CYS 48 HB3 -0.0018 0.0123 0.0007 288 ALA 49 N -0.0033 0.0128 -0.0033 289 ALA 49 CA -0.0030 0.0141 -0.0055 290 ALA 49 C -0.0012 0.0153 -0.0051 291 ALA 49 O -0.0003 0.0166 -0.0066 292 ALA 49 CB -0.0029 0.0149 -0.0069 293 ALA 49 H -0.0046 0.0117 -0.0030 294 ALA 49 HA -0.0043 0.0135 -0.0063 295 ALA 49 HB1 -0.0016 0.0155 -0.0061 296 ALA 49 HB2 -0.0042 0.0140 -0.0072 297 ALA 49 HB3 -0.0027 0.0158 -0.0085 298 ARG 50 N -0.0015 0.0153 -0.0029 299 ARG 50 CA -0.0001 0.0162 -0.0022 300 ARG 50 C -0.0002 0.0159 -0.0020 301 ARG 50 O -0.0011 0.0146 -0.0016 302 ARG 50 CB 0.0008 0.0159 -0.0006 303 ARG 50 CG 0.0011 0.0163 -0.0007 304 ARG 50 CD 0.0021 0.0161 0.0009 305 ARG 50 NE 0.0023 0.0164 0.0008 306 ARG 50 CZ 0.0030 0.0162 0.0021 307 ARG 50 NH1 0.0036 0.0156 0.0035 308 ARG 50 NH2 0.0032 0.0165 0.0019 309 ARG 50 H -0.0020 0.0142 -0.0024 310 ARG 50 HA 0.0003 0.0173 -0.0030 311 ARG 50 HB2 0.0004 0.0148 0.0002 312 ARG 50 HB3 0.0018 0.0166 -0.0001 313 ARG 50 HG2 0.0016 0.0175 -0.0015 314 ARG 50 HG3 0.0001 0.0157 -0.0012 315 ARG 50 HD2 0.0016 0.0149 0.0016 316 ARG 50 HD3 0.0030 0.0168 0.0014 317 ARG 50 HE 0.0019 0.0169 -0.0003 318 ARG 50 HH11 0.0036 0.0154 0.0037 319 ARG 50 HH12 0.0042 0.0154 0.0045 320 ARG 50 HH21 0.0027 0.0169 0.0008 321 ARG 50 HH22 0.0037 0.0163 0.0028 322 TYR 51 N 0.0015 0.0182 -0.0025 323 TYR 51 CA 0.0010 0.0174 -0.0022 324 TYR 51 C 0.0015 0.0178 0.0002 325 TYR 51 O 0.0027 0.0195 0.0009 326 TYR 51 CB 0.0014 0.0182 -0.0040 327 TYR 51 CG 0.0010 0.0180 -0.0065 328 TYR 51 CD1 0.0019 0.0194 -0.0077 329 TYR 51 CD2 -0.0002 0.0163 -0.0078 330 TYR 51 CE1 0.0016 0.0192 -0.0099 331 TYR 51 CE2 -0.0005 0.0161 -0.0100 332 TYR 51 CZ 0.0004 0.0176 -0.0111 333 TYR 51 OH 0.0001 0.0174 -0.0134 334 TYR 51 H 0.0025 0.0196 -0.0028 335 TYR 51 HA -0.0001 0.0158 -0.0024 336 TYR 51 HB2 0.0025 0.0197 -0.0038 337 TYR 51 HB3 0.0009 0.0175 -0.0038 338 TYR 51 HD1 0.0028 0.0206 -0.0068 339 TYR 51 HD2 -0.0009 0.0152 -0.0069 340 TYR 51 HE1 0.0023 0.0203 -0.0108 341 TYR 51 HE2 -0.0015 0.0149 -0.0110 342 TYR 51 HH 0.0009 0.0186 -0.0142 343 PHE 52 N -0.0001 0.0158 0.0020 344 PHE 52 CA 0.0008 0.0158 0.0038 345 PHE 52 C 0.0011 0.0159 0.0041 346 PHE 52 O 0.0003 0.0153 0.0033 347 PHE 52 CB 0.0005 0.0141 0.0048 348 PHE 52 CG 0.0003 0.0139 0.0046 349 PHE 52 CD1 -0.0007 0.0132 0.0032 350 PHE 52 CD2 0.0010 0.0143 0.0057 351 PHE 52 CE1 -0.0010 0.0129 0.0030 352 PHE 52 CE2 0.0008 0.0141 0.0054 353 PHE 52 CZ -0.0002 0.0134 0.0041 354 PHE 52 H -0.0008 0.0148 0.0015 355 PHE 52 HA 0.0015 0.0168 0.0040 356 PHE 52 HB2 -0.0001 0.0131 0.0045 357 PHE 52 HB3 0.0012 0.0142 0.0062 358 PHE 52 HD1 -0.0013 0.0128 0.0023 359 PHE 52 HD2 0.0018 0.0149 0.0067 360 PHE 52 HE1 -0.0018 0.0124 0.0019 361 PHE 52 HE2 0.0014 0.0144 0.0063 362 PHE 52 HZ -0.0004 0.0132 0.0038 363 ILE 53 N 0.0012 0.0169 0.0060 364 ILE 53 CA 0.0014 0.0170 0.0068 365 ILE 53 C 0.0008 0.0147 0.0078 366 ILE 53 O 0.0006 0.0142 0.0077 367 ILE 53 CB 0.0023 0.0186 0.0086 368 ILE 53 CG1 0.0026 0.0181 0.0106 369 ILE 53 CG2 0.0029 0.0209 0.0076 370 ILE 53 CD1 0.0035 0.0195 0.0124 371 ILE 53 H 0.0016 0.0178 0.0067 372 ILE 53 HA 0.0012 0.0175 0.0055 373 ILE 53 HB 0.0024 0.0184 0.0093 374 ILE 53 HG12 0.0025 0.0182 0.0099 375 ILE 53 HG13 0.0022 0.0164 0.0112 376 ILE 53 HG21 0.0028 0.0211 0.0068 377 ILE 53 HG22 0.0028 0.0212 0.0063 378 ILE 53 HG23 0.0036 0.0220 0.0089 379 ILE 53 HD11 0.0037 0.0194 0.0132 380 ILE 53 HD12 0.0037 0.0191 0.0137 381 ILE 53 HD13 0.0040 0.0212 0.0118 382 ASP 54 N 0.0011 0.0136 0.0084 383 ASP 54 CA 0.0011 0.0118 0.0093 384 ASP 54 C 0.0005 0.0101 0.0089 385 ASP 54 O 0.0004 0.0104 0.0084 386 ASP 54 CB 0.0020 0.0119 0.0115 387 ASP 54 CG 0.0020 0.0101 0.0125 388 ASP 54 OD1 0.0020 0.0100 0.0127 389 ASP 54 OD2 0.0020 0.0089 0.0133 390 ASP 54 H 0.0011 0.0137 0.0082 391 ASP 54 HA 0.0008 0.0115 0.0088 392 ASP 54 HB2 0.0024 0.0132 0.0118 393 ASP 54 HB3 0.0022 0.0121 0.0120 394 SER 55 N 0.0005 0.0087 0.0089 395 SER 55 CA 0.0000 0.0072 0.0085 396 SER 55 C 0.0004 0.0070 0.0097 397 SER 55 O 0.0001 0.0065 0.0093 398 SER 55 CB -0.0003 0.0056 0.0086 399 SER 55 OG -0.0008 0.0041 0.0084 400 SER 55 H 0.0006 0.0084 0.0092 401 SER 55 HA -0.0003 0.0074 0.0073 402 SER 55 HB2 -0.0006 0.0058 0.0076 403 SER 55 HB3 0.0000 0.0054 0.0098 404 SER 55 HG -0.0006 0.0036 0.0094 405 THR 56 N 0.0020 0.0073 0.0115 406 THR 56 CA 0.0024 0.0070 0.0126 407 THR 56 C 0.0022 0.0081 0.0119 408 THR 56 O 0.0022 0.0075 0.0119 409 THR 56 CB 0.0031 0.0075 0.0142 410 THR 56 OG1 0.0032 0.0067 0.0147 411 THR 56 CG2 0.0036 0.0070 0.0153 412 THR 56 H 0.0022 0.0078 0.0120 413 THR 56 HA 0.0022 0.0057 0.0126 414 THR 56 HB 0.0033 0.0088 0.0141 415 THR 56 HG1 0.0031 0.0073 0.0142 416 THR 56 HG21 0.0041 0.0074 0.0164 417 THR 56 HG22 0.0034 0.0057 0.0153 418 THR 56 HG23 0.0035 0.0076 0.0149 419 ASN 57 N 0.0020 0.0098 0.0116 420 ASN 57 CA 0.0020 0.0110 0.0110 421 ASN 57 C 0.0012 0.0103 0.0094 422 ASN 57 O 0.0011 0.0105 0.0091 423 ASN 57 CB 0.0022 0.0130 0.0106 424 ASN 57 CG 0.0031 0.0141 0.0122 425 ASN 57 OD1 0.0035 0.0151 0.0125 426 ASN 57 ND2 0.0035 0.0140 0.0131 427 ASN 57 H 0.0021 0.0103 0.0115 428 ASN 57 HA 0.0024 0.0111 0.0119 429 ASN 57 HB2 0.0020 0.0129 0.0101 430 ASN 57 HB3 0.0020 0.0137 0.0096 431 ASN 57 HD21 0.0032 0.0133 0.0128 432 ASN 57 HD22 0.0041 0.0148 0.0141 433 LEU 58 N 0.0006 0.0099 0.0084 434 LEU 58 CA -0.0003 0.0092 0.0073 435 LEU 58 C -0.0006 0.0076 0.0078 436 LEU 58 O -0.0009 0.0074 0.0074 437 LEU 58 CB -0.0010 0.0092 0.0062 438 LEU 58 CG -0.0021 0.0083 0.0049 439 LEU 58 CD1 -0.0025 0.0065 0.0054 440 LEU 58 CD2 -0.0024 0.0087 0.0043 441 LEU 58 H 0.0007 0.0100 0.0085 442 LEU 58 HA -0.0003 0.0100 0.0068 443 LEU 58 HB2 -0.0009 0.0104 0.0057 444 LEU 58 HB3 -0.0009 0.0087 0.0068 445 LEU 58 HG -0.0025 0.0086 0.0041 446 LEU 58 HD11 -0.0032 0.0059 0.0045 447 LEU 58 HD12 -0.0021 0.0061 0.0063 448 LEU 58 HD13 -0.0023 0.0063 0.0058 449 LEU 58 HD21 -0.0020 0.0083 0.0051 450 LEU 58 HD22 -0.0031 0.0081 0.0034 451 LEU 58 HD23 -0.0021 0.0099 0.0039 452 LYS 59 N 0.0006 0.0062 0.0090 453 LYS 59 CA 0.0009 0.0050 0.0088 454 LYS 59 C 0.0009 0.0049 0.0088 455 LYS 59 O 0.0008 0.0041 0.0082 456 LYS 59 CB 0.0018 0.0042 0.0095 457 LYS 59 CG 0.0025 0.0046 0.0106 458 LYS 59 CD 0.0033 0.0039 0.0112 459 LYS 59 CE 0.0037 0.0026 0.0110 460 LYS 59 NZ 0.0039 0.0024 0.0112 461 LYS 59 H 0.0009 0.0065 0.0096 462 LYS 59 HA 0.0004 0.0046 0.0080 463 LYS 59 HB2 0.0020 0.0033 0.0092 464 LYS 59 HB3 0.0017 0.0043 0.0094 465 LYS 59 HG2 0.0023 0.0056 0.0108 466 LYS 59 HG3 0.0026 0.0045 0.0107 467 LYS 59 HD2 0.0031 0.0039 0.0110 468 LYS 59 HD3 0.0038 0.0043 0.0120 469 LYS 59 HE2 0.0032 0.0022 0.0102 470 LYS 59 HE3 0.0042 0.0021 0.0114 471 LYS 59 HZ1 0.0044 0.0027 0.0120 472 LYS 59 HZ2 0.0042 0.0015 0.0111 473 LYS 59 HZ3 0.0035 0.0028 0.0109 474 THR 60 N 0.0019 0.0059 0.0100 475 THR 60 CA 0.0022 0.0060 0.0103 476 THR 60 C 0.0012 0.0063 0.0092 477 THR 60 O 0.0012 0.0057 0.0091 478 THR 60 CB 0.0029 0.0072 0.0113 479 THR 60 OG1 0.0038 0.0069 0.0123 480 THR 60 CG2 0.0032 0.0073 0.0117 481 THR 60 H 0.0021 0.0067 0.0103 482 THR 60 HA 0.0025 0.0049 0.0106 483 THR 60 HB 0.0025 0.0082 0.0110 484 THR 60 HG1 0.0036 0.0071 0.0122 485 THR 60 HG21 0.0037 0.0081 0.0124 486 THR 60 HG22 0.0035 0.0062 0.0120 487 THR 60 HG23 0.0025 0.0075 0.0109 488 HIS 61 N 0.0010 0.0072 0.0087 489 HIS 61 CA 0.0003 0.0075 0.0079 490 HIS 61 C -0.0005 0.0062 0.0075 491 HIS 61 O -0.0008 0.0060 0.0072 492 HIS 61 CB -0.0002 0.0086 0.0069 493 HIS 61 CG -0.0012 0.0086 0.0059 494 HIS 61 ND1 -0.0012 0.0090 0.0057 495 HIS 61 CD2 -0.0022 0.0082 0.0051 496 HIS 61 CE1 -0.0022 0.0088 0.0049 497 HIS 61 NE2 -0.0028 0.0083 0.0045 498 HIS 61 H 0.0010 0.0077 0.0085 499 HIS 61 HA 0.0007 0.0078 0.0082 500 HIS 61 HB2 0.0003 0.0096 0.0071 501 HIS 61 HB3 -0.0004 0.0085 0.0068 502 HIS 61 HD1 -0.0007 0.0094 0.0062 503 HIS 61 HD2 -0.0024 0.0078 0.0050 504 HIS 61 HE1 -0.0026 0.0089 0.0044 505 PHE 62 N -0.0005 0.0046 0.0068 506 PHE 62 CA -0.0013 0.0032 0.0063 507 PHE 62 C -0.0006 0.0018 0.0067 508 PHE 62 O -0.0010 0.0005 0.0064 509 PHE 62 CB -0.0016 0.0027 0.0060 510 PHE 62 CG -0.0022 0.0040 0.0057 511 PHE 62 CD1 -0.0033 0.0048 0.0050 512 PHE 62 CD2 -0.0016 0.0044 0.0061 513 PHE 62 CE1 -0.0038 0.0060 0.0047 514 PHE 62 CE2 -0.0021 0.0056 0.0058 515 PHE 62 CZ -0.0032 0.0064 0.0051 516 PHE 62 H 0.0001 0.0049 0.0072 517 PHE 62 HA -0.0021 0.0034 0.0057 518 PHE 62 HB2 -0.0008 0.0022 0.0066 519 PHE 62 HB3 -0.0024 0.0019 0.0055 520 PHE 62 HD1 -0.0038 0.0045 0.0047 521 PHE 62 HD2 -0.0007 0.0038 0.0066 522 PHE 62 HE1 -0.0047 0.0066 0.0041 523 PHE 62 HE2 -0.0016 0.0059 0.0061 524 PHE 62 HZ -0.0035 0.0074 0.0049 525 ARG 63 N 0.0004 0.0014 0.0060 526 ARG 63 CA 0.0011 0.0003 0.0059 527 ARG 63 C 0.0001 -0.0001 0.0050 528 ARG 63 O 0.0005 -0.0010 0.0048 529 ARG 63 CB 0.0022 0.0007 0.0070 530 ARG 63 CG 0.0034 0.0007 0.0079 531 ARG 63 CD 0.0045 0.0012 0.0089 532 ARG 63 NE 0.0051 0.0002 0.0088 533 ARG 63 CZ 0.0062 0.0002 0.0096 534 ARG 63 NH1 0.0070 0.0011 0.0107 535 ARG 63 NH2 0.0065 -0.0007 0.0094 536 ARG 63 H 0.0005 0.0025 0.0065 537 ARG 63 HA 0.0015 -0.0008 0.0057 538 ARG 63 HB2 0.0019 0.0018 0.0072 539 ARG 63 HB3 0.0026 -0.0001 0.0068 540 ARG 63 HG2 0.0038 -0.0004 0.0076 541 ARG 63 HG3 0.0030 0.0015 0.0080 542 ARG 63 HD2 0.0054 0.0012 0.0095 543 ARG 63 HD3 0.0041 0.0024 0.0092 544 ARG 63 HE 0.0045 -0.0005 0.0081 545 ARG 63 HH11 0.0067 0.0018 0.0108 546 ARG 63 HH12 0.0078 0.0011 0.0113 547 ARG 63 HH21 0.0060 -0.0014 0.0087 548 ARG 63 HH22 0.0074 -0.0008 0.0100 549 SER 64 N -0.0002 -0.0008 0.0055 550 SER 64 CA -0.0014 -0.0017 0.0051 551 SER 64 C -0.0023 -0.0030 0.0046 552 SER 64 O -0.0034 -0.0024 0.0044 553 SER 64 CB -0.0028 -0.0003 0.0049 554 SER 64 OG -0.0021 0.0012 0.0054 555 SER 64 H -0.0005 0.0004 0.0057 556 SER 64 HA -0.0008 -0.0024 0.0051 557 SER 64 HB2 -0.0037 0.0001 0.0048 558 SER 64 HB3 -0.0037 -0.0010 0.0046 559 SER 64 HG -0.0015 0.0008 0.0055 560 LYS 65 N -0.0018 -0.0059 0.0028 561 LYS 65 CA -0.0025 -0.0068 0.0027 562 LYS 65 C -0.0046 -0.0070 0.0030 563 LYS 65 O -0.0055 -0.0068 0.0032 564 LYS 65 CB -0.0014 -0.0086 0.0021 565 LYS 65 CG -0.0013 -0.0102 0.0017 566 LYS 65 CD -0.0032 -0.0111 0.0018 567 LYS 65 CE -0.0030 -0.0126 0.0014 568 LYS 65 NZ -0.0049 -0.0135 0.0015 569 LYS 65 H -0.0009 -0.0066 0.0024 570 LYS 65 HA -0.0021 -0.0057 0.0029 571 LYS 65 HB2 -0.0021 -0.0092 0.0021 572 LYS 65 HB3 0.0001 -0.0081 0.0019 573 LYS 65 HG2 -0.0004 -0.0112 0.0013 574 LYS 65 HG3 -0.0006 -0.0096 0.0017 575 LYS 65 HD2 -0.0041 -0.0100 0.0022 576 LYS 65 HD3 -0.0038 -0.0117 0.0018 577 LYS 65 HE2 -0.0022 -0.0137 0.0010 578 LYS 65 HE3 -0.0023 -0.0120 0.0014 579 LYS 65 HZ1 -0.0056 -0.0141 0.0015 580 LYS 65 HZ2 -0.0057 -0.0125 0.0019 581 LYS 65 HZ3 -0.0047 -0.0146 0.0013 582 ASP 66 N -0.0052 -0.0071 0.0036 583 ASP 66 CA -0.0071 -0.0075 0.0038 584 ASP 66 C -0.0082 -0.0058 0.0043 585 ASP 66 O -0.0097 -0.0059 0.0045 586 ASP 66 CB -0.0076 -0.0083 0.0038 587 ASP 66 CG -0.0095 -0.0090 0.0039 588 ASP 66 OD1 -0.0099 -0.0106 0.0037 589 ASP 66 OD2 -0.0107 -0.0080 0.0043 590 ASP 66 H -0.0045 -0.0071 0.0035 591 ASP 66 HA -0.0075 -0.0085 0.0037 592 ASP 66 HB2 -0.0067 -0.0093 0.0034 593 ASP 66 HB3 -0.0074 -0.0072 0.0039 594 HIS 67 N -0.0062 -0.0033 0.0051 595 HIS 67 CA -0.0071 -0.0016 0.0048 596 HIS 67 C -0.0079 -0.0017 0.0048 597 HIS 67 O -0.0094 -0.0013 0.0046 598 HIS 67 CB -0.0057 -0.0001 0.0048 599 HIS 67 CG -0.0064 0.0017 0.0046 600 HIS 67 ND1 -0.0081 0.0022 0.0044 601 HIS 67 CD2 -0.0055 0.0032 0.0046 602 HIS 67 CE1 -0.0082 0.0039 0.0043 603 HIS 67 NE2 -0.0066 0.0046 0.0044 604 HIS 67 H -0.0049 -0.0034 0.0052 605 HIS 67 HA -0.0082 -0.0014 0.0047 606 HIS 67 HB2 -0.0052 0.0001 0.0049 607 HIS 67 HB3 -0.0047 -0.0002 0.0049 608 HIS 67 HD1 -0.0091 0.0014 0.0044 609 HIS 67 HD2 -0.0043 0.0031 0.0047 610 HIS 67 HE1 -0.0093 0.0047 0.0041 611 LYS 68 N -0.0074 -0.0027 0.0045 612 LYS 68 CA -0.0074 -0.0024 0.0046 613 LYS 68 C -0.0085 -0.0038 0.0044 614 LYS 68 O -0.0093 -0.0035 0.0045 615 LYS 68 CB -0.0054 -0.0024 0.0044 616 LYS 68 CG -0.0042 -0.0010 0.0046 617 LYS 68 CD -0.0022 -0.0011 0.0045 618 LYS 68 CE -0.0014 -0.0030 0.0040 619 LYS 68 NZ 0.0005 -0.0031 0.0038 620 LYS 68 H -0.0063 -0.0032 0.0043 621 LYS 68 HA -0.0079 -0.0011 0.0049 622 LYS 68 HB2 -0.0049 -0.0037 0.0041 623 LYS 68 HB3 -0.0053 -0.0020 0.0045 624 LYS 68 HG2 -0.0047 0.0003 0.0049 625 LYS 68 HG3 -0.0042 -0.0014 0.0046 626 LYS 68 HD2 -0.0022 -0.0008 0.0045 627 LYS 68 HD3 -0.0014 -0.0001 0.0046 628 LYS 68 HE2 -0.0016 -0.0033 0.0039 629 LYS 68 HE3 -0.0022 -0.0040 0.0039 630 LYS 68 HZ1 0.0007 -0.0028 0.0039 631 LYS 68 HZ2 0.0010 -0.0043 0.0035 632 LYS 68 HZ3 0.0012 -0.0021 0.0040 633 LYS 69 N -0.0085 -0.0053 0.0047 634 LYS 69 CA -0.0098 -0.0068 0.0046 635 LYS 69 C -0.0119 -0.0061 0.0048 636 LYS 69 O -0.0132 -0.0065 0.0048 637 LYS 69 CB -0.0094 -0.0083 0.0044 638 LYS 69 CG -0.0109 -0.0099 0.0043 639 LYS 69 CD -0.0102 -0.0111 0.0041 640 LYS 69 CE -0.0116 -0.0126 0.0040 641 LYS 69 NZ -0.0107 -0.0136 0.0039 642 LYS 69 H -0.0075 -0.0055 0.0046 643 LYS 69 HA -0.0097 -0.0074 0.0045 644 LYS 69 HB2 -0.0081 -0.0091 0.0042 645 LYS 69 HB3 -0.0091 -0.0076 0.0044 646 LYS 69 HG2 -0.0122 -0.0091 0.0045 647 LYS 69 HG3 -0.0111 -0.0107 0.0042 648 LYS 69 HD2 -0.0089 -0.0117 0.0040 649 LYS 69 HD3 -0.0099 -0.0101 0.0042 650 LYS 69 HE2 -0.0129 -0.0120 0.0042 651 LYS 69 HE3 -0.0118 -0.0136 0.0039 652 LYS 69 HZ1 -0.0117 -0.0147 0.0038 653 LYS 69 HZ2 -0.0105 -0.0126 0.0040 654 LYS 69 HZ3 -0.0094 -0.0142 0.0037 655 ARG 70 N -0.0120 -0.0052 0.0048 656 ARG 70 CA -0.0139 -0.0045 0.0049 657 ARG 70 C -0.0146 -0.0028 0.0050 658 ARG 70 O -0.0164 -0.0026 0.0051 659 ARG 70 CB -0.0138 -0.0036 0.0049 660 ARG 70 CG -0.0159 -0.0029 0.0050 661 ARG 70 CD -0.0174 -0.0047 0.0051 662 ARG 70 NE -0.0194 -0.0041 0.0052 663 ARG 70 CZ -0.0211 -0.0050 0.0053 664 ARG 70 NH1 -0.0210 -0.0065 0.0053 665 ARG 70 NH2 -0.0228 -0.0043 0.0054 666 ARG 70 H -0.0108 -0.0049 0.0047 667 ARG 70 HA -0.0150 -0.0057 0.0049 668 ARG 70 HB2 -0.0131 -0.0046 0.0048 669 ARG 70 HB3 -0.0129 -0.0022 0.0049 670 ARG 70 HG2 -0.0157 -0.0023 0.0050 671 ARG 70 HG3 -0.0165 -0.0017 0.0051 672 ARG 70 HD2 -0.0175 -0.0053 0.0051 673 ARG 70 HD3 -0.0168 -0.0058 0.0050 674 ARG 70 HE -0.0194 -0.0030 0.0052 675 ARG 70 HH11 -0.0198 -0.0071 0.0052 676 ARG 70 HH12 -0.0223 -0.0072 0.0053 677 ARG 70 HH21 -0.0229 -0.0032 0.0054 678 ARG 70 HH22 -0.0242 -0.0049 0.0055 679 LEU 71 N -0.0128 -0.0018 0.0052 680 LEU 71 CA -0.0133 -0.0004 0.0051 681 LEU 71 C -0.0142 -0.0013 0.0052 682 LEU 71 O -0.0156 -0.0005 0.0052 683 LEU 71 CB -0.0115 0.0007 0.0050 684 LEU 71 CG -0.0104 0.0017 0.0049 685 LEU 71 CD1 -0.0087 0.0027 0.0048 686 LEU 71 CD2 -0.0116 0.0030 0.0048 687 LEU 71 H -0.0115 -0.0021 0.0052 688 LEU 71 HA -0.0143 0.0006 0.0051 689 LEU 71 HB2 -0.0106 -0.0004 0.0051 690 LEU 71 HB3 -0.0119 0.0017 0.0049 691 LEU 71 HG -0.0098 0.0006 0.0050 692 LEU 71 HD11 -0.0092 0.0038 0.0047 693 LEU 71 HD12 -0.0078 0.0018 0.0048 694 LEU 71 HD13 -0.0079 0.0034 0.0047 695 LEU 71 HD21 -0.0127 0.0022 0.0049 696 LEU 71 HD22 -0.0122 0.0040 0.0047 697 LEU 71 HD23 -0.0107 0.0037 0.0047 698 LYS 72 N -0.0137 -0.0028 0.0050 699 LYS 72 CA -0.0145 -0.0041 0.0049 700 LYS 72 C -0.0170 -0.0049 0.0049 701 LYS 72 O -0.0183 -0.0048 0.0049 702 LYS 72 CB -0.0129 -0.0062 0.0048 703 LYS 72 CG -0.0134 -0.0078 0.0048 704 LYS 72 CD -0.0116 -0.0097 0.0047 705 LYS 72 CE -0.0122 -0.0112 0.0046 706 LYS 72 NZ -0.0104 -0.0131 0.0046 707 LYS 72 H -0.0125 -0.0033 0.0050 708 LYS 72 HA -0.0143 -0.0030 0.0050 709 LYS 72 HB2 -0.0111 -0.0056 0.0049 710 LYS 72 HB3 -0.0130 -0.0073 0.0048 711 LYS 72 HG2 -0.0151 -0.0085 0.0048 712 LYS 72 HG3 -0.0134 -0.0067 0.0048 713 LYS 72 HD2 -0.0099 -0.0090 0.0047 714 LYS 72 HD3 -0.0117 -0.0108 0.0047 715 LYS 72 HE2 -0.0138 -0.0120 0.0046 716 LYS 72 HE3 -0.0122 -0.0102 0.0047 717 LYS 72 HZ1 -0.0104 -0.0142 0.0045 718 LYS 72 HZ2 -0.0088 -0.0124 0.0046 719 LYS 72 HZ3 -0.0108 -0.0141 0.0045 720 GLN 73 N -0.0169 -0.0055 0.0050 721 GLN 73 CA -0.0189 -0.0061 0.0051 722 GLN 73 C -0.0204 -0.0044 0.0052 723 GLN 73 O -0.0220 -0.0046 0.0052 724 GLN 73 CB -0.0190 -0.0071 0.0050 725 GLN 73 CG -0.0177 -0.0089 0.0049 726 GLN 73 CD -0.0178 -0.0098 0.0049 727 GLN 73 OE1 -0.0181 -0.0088 0.0049 728 GLN 73 NE2 -0.0176 -0.0117 0.0048 729 GLN 73 H -0.0159 -0.0055 0.0050 730 GLN 73 HA -0.0193 -0.0072 0.0050 731 GLN 73 HB2 -0.0186 -0.0061 0.0050 732 GLN 73 HB3 -0.0205 -0.0075 0.0050 733 GLN 73 HG2 -0.0182 -0.0100 0.0049 734 GLN 73 HG3 -0.0162 -0.0085 0.0049 735 GLN 73 HE21 -0.0174 -0.0124 0.0047 736 GLN 73 HE22 -0.0176 -0.0124 0.0047 737 LEU 74 N -0.0197 -0.0027 0.0055 738 LEU 74 CA -0.0209 -0.0010 0.0056 739 LEU 74 C -0.0211 0.0003 0.0056 740 LEU 74 O -0.0224 0.0016 0.0057 741 LEU 74 CB -0.0200 0.0002 0.0054 742 LEU 74 CG -0.0212 0.0019 0.0055 743 LEU 74 CD1 -0.0232 0.0013 0.0058 744 LEU 74 CD2 -0.0201 0.0029 0.0054 745 LEU 74 H -0.0183 -0.0028 0.0053 746 LEU 74 HA -0.0223 -0.0015 0.0058 747 LEU 74 HB2 -0.0197 -0.0008 0.0054 748 LEU 74 HB3 -0.0186 0.0007 0.0053 749 LEU 74 HG -0.0214 0.0030 0.0055 750 LEU 74 HD11 -0.0240 0.0026 0.0059 751 LEU 74 HD12 -0.0231 0.0002 0.0058 752 LEU 74 HD13 -0.0240 0.0007 0.0059 753 LEU 74 HD21 -0.0199 0.0019 0.0054 754 LEU 74 HD22 -0.0209 0.0042 0.0054 755 LEU 74 HD23 -0.0187 0.0035 0.0052 756 SER 75 N -0.0200 -0.0001 0.0055 757 SER 75 CA -0.0200 0.0009 0.0054 758 SER 75 C -0.0190 0.0031 0.0053 759 SER 75 O -0.0194 0.0045 0.0053 760 SER 75 CB -0.0222 0.0009 0.0057 761 SER 75 OG -0.0223 0.0018 0.0056 762 SER 75 H -0.0189 -0.0012 0.0054 763 SER 75 HA -0.0190 0.0000 0.0054 764 SER 75 HB2 -0.0228 -0.0006 0.0058 765 SER 75 HB3 -0.0232 0.0018 0.0057 766 SER 75 HG -0.0231 0.0010 0.0057 767 VAL 76 N -0.0177 0.0034 0.0053 768 VAL 76 CA -0.0167 0.0053 0.0049 769 VAL 76 C -0.0155 0.0058 0.0046 770 VAL 76 O -0.0158 0.0074 0.0045 771 VAL 76 CB -0.0153 0.0052 0.0047 772 VAL 76 CG1 -0.0141 0.0071 0.0043 773 VAL 76 CG2 -0.0164 0.0047 0.0049 774 VAL 76 H -0.0174 0.0023 0.0054 775 VAL 76 HA -0.0178 0.0064 0.0049 776 VAL 76 HB -0.0142 0.0040 0.0047 777 VAL 76 HG11 -0.0132 0.0070 0.0042 778 VAL 76 HG12 -0.0152 0.0083 0.0043 779 VAL 76 HG13 -0.0133 0.0074 0.0041 780 VAL 76 HG21 -0.0154 0.0046 0.0048 781 VAL 76 HG22 -0.0171 0.0033 0.0052 782 VAL 76 HG23 -0.0175 0.0059 0.0049 783 GLU 77 N -0.0136 0.0041 0.0052 784 GLU 77 CA -0.0123 0.0043 0.0051 785 GLU 77 C -0.0118 0.0023 0.0051 786 GLU 77 O -0.0107 0.0012 0.0050 787 GLU 77 CB -0.0105 0.0053 0.0049 788 GLU 77 CG -0.0095 0.0045 0.0048 789 GLU 77 CD -0.0077 0.0056 0.0047 790 GLU 77 OE1 -0.0078 0.0072 0.0047 791 GLU 77 OE2 -0.0062 0.0047 0.0046 792 GLU 77 H -0.0134 0.0030 0.0052 793 GLU 77 HA -0.0129 0.0051 0.0051 794 GLU 77 HB2 -0.0095 0.0051 0.0048 795 GLU 77 HB3 -0.0108 0.0068 0.0049 796 GLU 77 HG2 -0.0105 0.0047 0.0049 797 GLU 77 HG3 -0.0092 0.0031 0.0048 798 PRO 78 N -0.0128 0.0021 0.0051 799 PRO 78 CA -0.0123 0.0000 0.0050 800 PRO 78 C -0.0100 0.0002 0.0049 801 PRO 78 O -0.0095 0.0018 0.0049 802 PRO 78 CB -0.0140 -0.0001 0.0051 803 PRO 78 CG -0.0158 0.0015 0.0052 804 PRO 78 CD -0.0147 0.0033 0.0052 805 PRO 78 HA -0.0124 -0.0014 0.0050 806 PRO 78 HB2 -0.0133 0.0004 0.0051 807 PRO 78 HB3 -0.0147 -0.0017 0.0051 808 PRO 78 HG2 -0.0166 0.0022 0.0053 809 PRO 78 HG3 -0.0170 0.0007 0.0053 810 PRO 78 HD2 -0.0140 0.0046 0.0051 811 PRO 78 HD3 -0.0157 0.0039 0.0052 812 TYR 79 N -0.0088 -0.0013 0.0051 813 TYR 79 CA -0.0059 -0.0012 0.0048 814 TYR 79 C -0.0045 0.0008 0.0049 815 TYR 79 O -0.0042 0.0032 0.0051 816 TYR 79 CB -0.0051 -0.0009 0.0048 817 TYR 79 CG -0.0061 -0.0032 0.0047 818 TYR 79 CD1 -0.0087 -0.0031 0.0049 819 TYR 79 CD2 -0.0046 -0.0054 0.0043 820 TYR 79 CE1 -0.0096 -0.0052 0.0048 821 TYR 79 CE2 -0.0055 -0.0075 0.0042 822 TYR 79 CZ -0.0080 -0.0074 0.0045 823 TYR 79 OH -0.0090 -0.0095 0.0044 824 TYR 79 H -0.0096 -0.0029 0.0051 825 TYR 79 HA -0.0052 -0.0032 0.0046 826 TYR 79 HB2 -0.0060 0.0010 0.0051 827 TYR 79 HB3 -0.0030 -0.0008 0.0046 828 TYR 79 HD1 -0.0099 -0.0014 0.0052 829 TYR 79 HD2 -0.0026 -0.0055 0.0041 830 TYR 79 HE1 -0.0116 -0.0051 0.0050 831 TYR 79 HE2 -0.0042 -0.0093 0.0039 832 TYR 79 HH -0.0086 -0.0111 0.0042 833 SER 80 N -0.0039 -0.0005 0.0051 834 SER 80 CA -0.0030 0.0010 0.0053 835 SER 80 C -0.0003 0.0007 0.0049 836 SER 80 O 0.0010 -0.0003 0.0045 837 SER 80 CB -0.0044 0.0002 0.0053 838 SER 80 OG -0.0038 0.0016 0.0055 839 SER 80 H -0.0041 -0.0022 0.0048 840 SER 80 HA -0.0034 0.0029 0.0056 841 SER 80 HB2 -0.0063 0.0003 0.0055 842 SER 80 HB3 -0.0040 -0.0017 0.0049 843 SER 80 HG -0.0047 0.0031 0.0058 844 GLN 81 N 0.0015 0.0010 0.0060 845 GLN 81 CA 0.0034 0.0009 0.0055 846 GLN 81 C 0.0037 -0.0012 0.0037 847 GLN 81 O 0.0018 -0.0024 0.0031 848 GLN 81 CB 0.0030 0.0019 0.0065 849 GLN 81 CG 0.0052 0.0021 0.0062 850 GLN 81 CD 0.0048 0.0030 0.0070 851 GLN 81 OE1 0.0028 0.0028 0.0072 852 GLN 81 NE2 0.0067 0.0040 0.0075 853 GLN 81 H -0.0001 0.0014 0.0067 854 GLN 81 HA 0.0051 0.0015 0.0057 855 GLN 81 HB2 0.0026 0.0033 0.0077 856 GLN 81 HB3 0.0015 0.0012 0.0061 857 GLN 81 HG2 0.0057 0.0007 0.0049 858 GLN 81 HG3 0.0067 0.0030 0.0066 859 GLN 81 HE21 0.0082 0.0041 0.0072 860 GLN 81 HE22 0.0065 0.0045 0.0080 861 GLU 82 N 0.0075 -0.0027 0.0026 862 GLU 82 CA 0.0087 -0.0059 0.0015 863 GLU 82 C 0.0081 -0.0083 0.0005 864 GLU 82 O 0.0091 -0.0112 -0.0005 865 GLU 82 CB 0.0072 -0.0070 0.0010 866 GLU 82 CG 0.0085 -0.0103 -0.0002 867 GLU 82 CD 0.0070 -0.0111 -0.0005 868 GLU 82 OE1 0.0039 -0.0120 -0.0010 869 GLU 82 OE2 0.0089 -0.0108 -0.0003 870 GLU 82 H 0.0092 -0.0011 0.0033 871 GLU 82 HA 0.0115 -0.0057 0.0017 872 GLU 82 HB2 0.0079 -0.0053 0.0017 873 GLU 82 HB3 0.0044 -0.0071 0.0008 874 GLU 82 HG2 0.0077 -0.0122 -0.0009 875 GLU 82 HG3 0.0113 -0.0103 -0.0001 876 GLU 83 N 0.0071 -0.0056 0.0019 877 GLU 83 CA 0.0064 -0.0066 0.0018 878 GLU 83 C 0.0076 -0.0040 0.0023 879 GLU 83 O 0.0096 -0.0044 0.0015 880 GLU 83 CB 0.0028 -0.0075 0.0025 881 GLU 83 CG 0.0017 -0.0086 0.0024 882 GLU 83 CD -0.0018 -0.0098 0.0030 883 GLU 83 OE1 -0.0038 -0.0079 0.0042 884 GLU 83 OE2 -0.0025 -0.0127 0.0022 885 GLU 83 H 0.0064 -0.0036 0.0027 886 GLU 83 HA 0.0077 -0.0086 0.0007 887 GLU 83 HB2 0.0021 -0.0094 0.0020 888 GLU 83 HB3 0.0015 -0.0055 0.0035 889 GLU 83 HG2 0.0021 -0.0066 0.0030 890 GLU 83 HG3 0.0032 -0.0104 0.0014 891 ALA 84 N 0.0072 -0.0012 0.0032 892 ALA 84 CA 0.0086 0.0016 0.0040 893 ALA 84 C 0.0117 0.0045 0.0046 894 ALA 84 O 0.0125 0.0077 0.0057 895 ALA 84 CB 0.0051 0.0036 0.0052 896 ALA 84 H 0.0051 -0.0005 0.0037 897 ALA 84 HA 0.0101 0.0001 0.0033 898 ALA 84 HB1 0.0062 0.0057 0.0058 899 ALA 84 HB2 0.0034 0.0050 0.0059 900 ALA 84 HB3 0.0031 0.0015 0.0047 901 GLU 85 N 0.0139 0.0041 0.0041 902 GLU 85 CA 0.0164 0.0056 0.0038 903 GLU 85 C 0.0173 0.0022 0.0016 904 GLU 85 O 0.0149 0.0006 0.0017 905 GLU 85 CB 0.0144 0.0081 0.0061 906 GLU 85 CG 0.0170 0.0105 0.0062 907 GLU 85 CD 0.0183 0.0084 0.0046 908 GLU 85 OE1 0.0162 0.0079 0.0052 909 GLU 85 OE2 0.0215 0.0073 0.0026 910 GLU 85 H 0.0130 0.0014 0.0030 911 GLU 85 HA 0.0191 0.0072 0.0036 912 GLU 85 HB2 0.0130 0.0099 0.0076 913 GLU 85 HB3 0.0121 0.0063 0.0060 914 GLU 85 HG2 0.0195 0.0113 0.0057 915 GLU 85 HG3 0.0157 0.0128 0.0081 916 ARG 86 N 0.0203 0.0028 0.0012 917 ARG 86 CA 0.0218 -0.0025 -0.0021 918 ARG 86 C 0.0276 -0.0018 -0.0047 919 ARG 86 O 0.0314 0.0020 -0.0049 920 ARG 86 CB 0.0206 -0.0070 -0.0037 921 ARG 86 CG 0.0226 -0.0050 -0.0037 922 ARG 86 CD 0.0290 -0.0031 -0.0060 923 ARG 86 NE 0.0305 -0.0008 -0.0057 924 ARG 86 CZ 0.0356 0.0022 -0.0069 925 ARG 86 NH1 0.0398 0.0031 -0.0086 926 ARG 86 NH2 0.0364 0.0043 -0.0063 927 ARG 86 H 0.0226 0.0052 0.0011 928 ARG 86 HA 0.0189 -0.0040 -0.0014 929 ARG 86 HB2 0.0227 -0.0105 -0.0064 930 ARG 86 HB3 0.0162 -0.0087 -0.0022 931 ARG 86 HG2 0.0213 -0.0085 -0.0047 932 ARG 86 HG3 0.0207 -0.0015 -0.0011 933 ARG 86 HD2 0.0305 0.0001 -0.0053 934 ARG 86 HD3 0.0309 -0.0067 -0.0088 935 ARG 86 HE 0.0275 -0.0015 -0.0045 936 ARG 86 HH11 0.0395 0.0016 -0.0092 937 ARG 86 HH12 0.0436 0.0053 -0.0095 938 ARG 86 HH21 0.0333 0.0038 -0.0050 939 ARG 86 HH22 0.0400 0.0066 -0.0070 940 ALA 87 N 0.0275 -0.0045 -0.0049 941 ALA 87 CA 0.0335 -0.0047 -0.0073 942 ALA 87 C 0.0365 -0.0105 -0.0127 943 ALA 87 O 0.0386 -0.0136 -0.0158 944 ALA 87 CB 0.0306 -0.0051 -0.0065 945 ALA 87 H 0.0229 -0.0074 -0.0052 946 ALA 87 HA 0.0376 -0.0005 -0.0058 947 ALA 87 HB1 0.0263 -0.0093 -0.0079 948 ALA 87 HB2 0.0285 -0.0010 -0.0027 949 ALA 87 HB3 0.0349 -0.0054 -0.0084 950 ALA 88 N 0.0381 -0.0118 -0.0128 951 ALA 88 CA 0.0399 -0.0171 -0.0158 952 ALA 88 C 0.0437 -0.0149 -0.0164 953 ALA 88 O 0.0412 -0.0146 -0.0153 954 ALA 88 CB 0.0341 -0.0217 -0.0155 955 ALA 88 H 0.0363 -0.0087 -0.0108 956 ALA 88 HA 0.0428 -0.0193 -0.0179 957 ALA 88 HB1 0.0312 -0.0196 -0.0134 958 ALA 88 HB2 0.0315 -0.0232 -0.0151 959 ALA 88 HB3 0.0357 -0.0257 -0.0179 960 GLY 89 N 0.0544 -0.0135 -0.0170 961 GLY 89 CA 0.0578 -0.0105 -0.0182 962 GLY 89 C 0.0660 -0.0100 -0.0219 963 GLY 89 O 0.0691 -0.0161 -0.0242 964 GLY 89 H 0.0570 -0.0135 -0.0183 965 GLY 89 HA2 0.0563 -0.0144 -0.0180 966 GLY 89 HA3 0.0560 -0.0047 -0.0166 967 MET 90 N 0.0739 -0.0011 -0.0262 968 MET 90 CA 0.0762 -0.0001 -0.0309 969 MET 90 C 0.0739 -0.0011 -0.0261 970 MET 90 O 0.0780 -0.0049 -0.0217 971 MET 90 CB 0.0850 -0.0026 -0.0343 972 MET 90 CG 0.0878 -0.0012 -0.0407 973 MET 90 SD 0.0867 -0.0020 -0.0375 974 MET 90 CE 0.0912 -0.0004 -0.0461 975 MET 90 H 0.0701 0.0014 -0.0280 976 MET 90 HA 0.0729 0.0034 -0.0356 977 MET 90 HB2 0.0864 -0.0021 -0.0369 978 MET 90 HB3 0.0882 -0.0061 -0.0296 979 MET 90 HG2 0.0846 0.0023 -0.0454 980 MET 90 HG3 0.0938 -0.0030 -0.0428 981 MET 90 HE1 0.0882 0.0030 -0.0509 982 MET 90 HE2 0.0910 -0.0007 -0.0451 983 MET 90 HE3 0.0971 -0.0024 -0.0475 984 GLY 91 N 0.0782 0.0046 -0.0327 985 GLY 91 CA 0.0735 0.0089 -0.0300 986 GLY 91 C 0.0664 0.0059 -0.0309 987 GLY 91 O 0.0639 0.0048 -0.0312 988 GLY 91 H 0.0788 0.0008 -0.0348 989 GLY 91 HA2 0.0733 0.0128 -0.0280 990 GLY 91 HA3 0.0752 0.0105 -0.0294 991 SER 92 N 0.0599 0.0036 -0.0292 992 SER 92 CA 0.0495 -0.0001 -0.0327 993 SER 92 C 0.0448 0.0043 -0.0246 994 SER 92 O 0.0514 0.0068 -0.0221 995 SER 92 CB 0.0530 -0.0062 -0.0434 996 SER 92 OG 0.0575 -0.0102 -0.0509 997 SER 92 H 0.0674 0.0053 -0.0282 998 SER 92 HA 0.0422 -0.0017 -0.0338 999 SER 92 HB2 0.0602 -0.0046 -0.0425 1000 SER 92 HB3 0.0451 -0.0092 -0.0464 1001 SER 92 HG 0.0587 -0.0075 -0.0467 1002 TYR 93 N 0.0288 0.0052 -0.0180 1003 TYR 93 CA 0.0161 0.0132 -0.0065 1004 TYR 93 C -0.0009 0.0015 -0.0090 1005 TYR 93 O -0.0029 -0.0112 -0.0184 1006 TYR 93 CB 0.0129 0.0238 0.0034 1007 TYR 93 CG 0.0018 0.0346 0.0166 1008 TYR 93 CD1 0.0097 0.0483 0.0244 1009 TYR 93 CD2 -0.0164 0.0311 0.0211 1010 TYR 93 CE1 -0.0002 0.0582 0.0364 1011 TYR 93 CE2 -0.0264 0.0410 0.0331 1012 TYR 93 CZ -0.0183 0.0545 0.0406 1013 TYR 93 OH -0.0283 0.0643 0.0526 1014 TYR 93 H 0.0264 -0.0001 -0.0213 1015 TYR 93 HA 0.0211 0.0195 -0.0034 1016 TYR 93 HB2 0.0255 0.0304 0.0036 1017 TYR 93 HB3 0.0064 0.0172 0.0007 1018 TYR 93 HD1 0.0239 0.0512 0.0210 1019 TYR 93 HD2 -0.0228 0.0205 0.0151 1020 TYR 93 HE1 0.0062 0.0688 0.0423 1021 TYR 93 HE2 -0.0406 0.0382 0.0365 1022 TYR 93 HH -0.0380 0.0588 0.0520 1023 VAL 94 N -0.0125 0.0061 -0.0004 1024 VAL 94 CA -0.0295 -0.0044 -0.0015 1025 VAL 94 C -0.0409 -0.0097 -0.0009 1026 VAL 94 O -0.0475 -0.0004 0.0093 1027 VAL 94 CB -0.0402 0.0020 0.0081 1028 VAL 94 CG1 -0.0440 0.0171 0.0218 1029 VAL 94 CG2 -0.0575 -0.0097 0.0062 1030 VAL 94 H -0.0098 0.0164 0.0067 1031 VAL 94 HA -0.0260 -0.0144 -0.0110 1032 VAL 94 HB -0.0319 0.0039 0.0062 1033 VAL 94 HG11 -0.0514 0.0209 0.0279 1034 VAL 94 HG12 -0.0519 0.0157 0.0239 1035 VAL 94 HG13 -0.0315 0.0254 0.0231 1036 VAL 94 HG21 -0.0658 -0.0123 0.0076 1037 VAL 94 HG22 -0.0646 -0.0050 0.0129 1038 VAL 94 HG23 -0.0544 -0.0199 -0.0033