1 PRO 1 N 0.0015 0.0065 -0.0058 2 PRO 1 CA 0.0003 0.0070 -0.0062 3 PRO 1 C -0.0005 0.0059 -0.0060 4 PRO 1 O -0.0001 0.0052 -0.0057 5 PRO 1 CB 0.0007 0.0079 -0.0064 6 PRO 1 CG 0.0022 0.0077 -0.0061 7 PRO 1 CD 0.0024 0.0066 -0.0057 8 GLU 2 N -0.0037 0.0041 -0.0056 9 GLU 2 CA -0.0012 0.0057 -0.0068 10 GLU 2 C 0.0005 0.0038 -0.0060 11 GLU 2 O 0.0016 0.0014 -0.0048 12 GLU 2 CB 0.0011 0.0066 -0.0076 13 GLU 2 CG -0.0004 0.0091 -0.0088 14 GLU 2 CD 0.0017 0.0100 -0.0095 15 GLU 2 OE1 0.0019 0.0126 -0.0110 16 GLU 2 OE2 0.0029 0.0080 -0.0086 17 PHE 3 N 0.0024 0.0038 -0.0064 18 PHE 3 CA 0.0027 0.0030 -0.0064 19 PHE 3 C 0.0044 0.0033 -0.0067 20 PHE 3 O 0.0049 0.0046 -0.0068 21 PHE 3 CB 0.0015 0.0037 -0.0062 22 PHE 3 CG -0.0003 0.0033 -0.0059 23 PHE 3 CD1 -0.0009 0.0018 -0.0058 24 PHE 3 CD2 -0.0013 0.0043 -0.0058 25 PHE 3 CE1 -0.0026 0.0014 -0.0055 26 PHE 3 CE2 -0.0030 0.0039 -0.0055 27 PHE 3 CZ -0.0036 0.0024 -0.0054 28 LEU 4 N 0.0069 0.0016 -0.0038 29 LEU 4 CA 0.0082 0.0018 -0.0034 30 LEU 4 C 0.0082 0.0028 -0.0035 31 LEU 4 O 0.0077 0.0024 -0.0036 32 LEU 4 CB 0.0088 0.0005 -0.0030 33 LEU 4 CG 0.0089 -0.0004 -0.0029 34 LEU 4 CD1 0.0094 -0.0017 -0.0025 35 LEU 4 CD2 0.0098 0.0001 -0.0027 36 GLY 5 N 0.0057 0.0039 -0.0016 37 GLY 5 CA 0.0057 0.0047 -0.0016 38 GLY 5 C 0.0062 0.0044 -0.0014 39 GLY 5 O 0.0067 0.0037 -0.0012 40 GLU 6 N 0.0049 0.0031 -0.0005 41 GLU 6 CA 0.0059 0.0026 -0.0002 42 GLU 6 C 0.0066 0.0028 -0.0005 43 GLU 6 O 0.0072 0.0023 -0.0001 44 GLU 6 CB 0.0065 0.0027 -0.0004 45 GLU 6 CG 0.0060 0.0024 0.0000 46 GLU 6 CD 0.0066 0.0024 -0.0002 47 GLU 6 OE1 0.0069 0.0019 0.0004 48 GLU 6 OE2 0.0069 0.0030 -0.0009 49 GLU 7 N 0.0070 0.0038 0.0005 50 GLU 7 CA 0.0080 0.0040 0.0007 51 GLU 7 C 0.0082 0.0031 0.0010 52 GLU 7 O 0.0091 0.0030 0.0013 53 GLU 7 CB 0.0080 0.0050 0.0004 54 GLU 7 CG 0.0078 0.0059 0.0001 55 GLU 7 CD 0.0081 0.0070 -0.0001 56 GLU 7 OE1 0.0086 0.0077 -0.0002 57 GLU 7 OE2 0.0079 0.0071 -0.0002 58 ASP 8 N 0.0078 0.0033 0.0007 59 ASP 8 CA 0.0082 0.0023 0.0007 60 ASP 8 C 0.0082 0.0016 0.0005 61 ASP 8 O 0.0085 0.0008 0.0005 62 ASP 8 CB 0.0078 0.0020 0.0004 63 ASP 8 CG 0.0080 0.0025 0.0006 64 ASP 8 OD1 0.0086 0.0027 0.0011 65 ASP 8 OD2 0.0074 0.0027 0.0002 66 ILE 9 N 0.0071 0.0010 0.0003 67 ILE 9 CA 0.0071 0.0010 0.0004 68 ILE 9 C 0.0070 0.0010 0.0003 69 ILE 9 O 0.0070 0.0010 0.0003 70 ILE 9 CB 0.0072 0.0010 0.0004 71 ILE 9 CG1 0.0072 0.0010 0.0005 72 ILE 9 CG2 0.0072 0.0010 0.0005 73 ILE 9 CD1 0.0073 0.0009 0.0005 74 PRO 10 N 0.0063 0.0002 0.0017 75 PRO 10 CA 0.0053 0.0005 0.0016 76 PRO 10 C 0.0046 0.0008 0.0015 77 PRO 10 O 0.0048 0.0015 0.0011 78 PRO 10 CB 0.0054 0.0012 0.0012 79 PRO 10 CG 0.0065 0.0011 0.0012 80 PRO 10 CD 0.0070 0.0007 0.0014 81 ARG 11 N 0.0024 0.0005 0.0005 82 ARG 11 CA 0.0033 0.0005 0.0007 83 ARG 11 C 0.0029 0.0010 0.0013 84 ARG 11 O 0.0035 0.0010 0.0015 85 ARG 11 CB 0.0036 -0.0001 -0.0003 86 ARG 11 CG 0.0042 -0.0005 -0.0008 87 ARG 11 CD 0.0046 -0.0011 -0.0017 88 ARG 11 NE 0.0051 -0.0015 -0.0023 89 ARG 11 CZ 0.0058 -0.0020 -0.0030 90 ARG 11 NH1 0.0061 -0.0021 -0.0033 91 ARG 11 NH2 0.0062 -0.0023 -0.0034 92 GLU 12 N 0.0017 0.0015 0.0021 93 GLU 12 CA 0.0011 0.0022 0.0027 94 GLU 12 C 0.0016 0.0031 0.0030 95 GLU 12 O 0.0022 0.0031 0.0027 96 GLU 12 CB 0.0002 0.0018 0.0029 97 GLU 12 CG -0.0004 0.0010 0.0028 98 GLU 12 CD -0.0013 0.0007 0.0031 99 GLU 12 OE1 -0.0019 0.0001 0.0030 100 GLU 12 OE2 -0.0015 0.0011 0.0034 101 PRO 13 N 0.0004 0.0025 0.0050 102 PRO 13 CA 0.0006 0.0035 0.0045 103 PRO 13 C 0.0011 0.0037 0.0042 104 PRO 13 O 0.0008 0.0036 0.0044 105 PRO 13 CB -0.0004 0.0041 0.0045 106 PRO 13 CG -0.0011 0.0035 0.0050 107 PRO 13 CD -0.0007 0.0025 0.0053 108 ARG 14 N 0.0028 0.0044 0.0040 109 ARG 14 CA 0.0027 0.0044 0.0040 110 ARG 14 C 0.0030 0.0052 0.0042 111 ARG 14 O 0.0034 0.0058 0.0040 112 ARG 14 CB 0.0031 0.0037 0.0035 113 ARG 14 CG 0.0039 0.0040 0.0030 114 ARG 14 CD 0.0043 0.0032 0.0025 115 ARG 14 NE 0.0050 0.0034 0.0020 116 ARG 14 CZ 0.0054 0.0035 0.0017 117 ARG 14 NH1 0.0052 0.0035 0.0019 118 ARG 14 NH2 0.0061 0.0037 0.0013 119 ARG 15 N 0.0057 0.0059 0.0049 120 ARG 15 CA 0.0055 0.0053 0.0041 121 ARG 15 C 0.0051 0.0048 0.0032 122 ARG 15 O 0.0055 0.0041 0.0032 123 ARG 15 CB 0.0063 0.0045 0.0045 124 ARG 15 CG 0.0062 0.0038 0.0037 125 ARG 15 CD 0.0070 0.0031 0.0041 126 ARG 15 NE 0.0068 0.0025 0.0034 127 ARG 15 CZ 0.0070 0.0015 0.0028 128 ARG 15 NH1 0.0073 0.0010 0.0027 129 ARG 15 NH2 0.0068 0.0011 0.0022 130 ILE 16 N 0.0055 0.0047 0.0028 131 ILE 16 CA 0.0053 0.0046 0.0026 132 ILE 16 C 0.0053 0.0043 0.0023 133 ILE 16 O 0.0051 0.0042 0.0022 134 ILE 16 CB 0.0049 0.0048 0.0027 135 ILE 16 CG1 0.0050 0.0051 0.0031 136 ILE 16 CG2 0.0047 0.0047 0.0026 137 ILE 16 CD1 0.0046 0.0054 0.0033 138 VAL 17 N 0.0064 0.0026 0.0022 139 VAL 17 CA 0.0061 0.0013 0.0011 140 VAL 17 C 0.0047 0.0011 0.0008 141 VAL 17 O 0.0047 0.0013 0.0010 142 VAL 17 CB 0.0076 0.0004 0.0006 143 VAL 17 CG1 0.0073 -0.0011 -0.0005 144 VAL 17 CG2 0.0090 0.0006 0.0010 145 ILE 18 N 0.0044 0.0006 0.0023 146 ILE 18 CA 0.0025 0.0002 0.0032 147 ILE 18 C 0.0022 -0.0018 0.0027 148 ILE 18 O 0.0026 -0.0032 0.0019 149 ILE 18 CB 0.0012 0.0003 0.0040 150 ILE 18 CG1 0.0016 0.0023 0.0044 151 ILE 18 CG2 -0.0008 -0.0001 0.0049 152 ILE 18 CD1 0.0004 0.0026 0.0052 153 HIS 19 N 0.0014 -0.0054 0.0006 154 HIS 19 CA 0.0005 -0.0075 -0.0003 155 HIS 19 C -0.0022 -0.0084 0.0006 156 HIS 19 O -0.0035 -0.0072 0.0021 157 HIS 19 CB 0.0014 -0.0072 -0.0006 158 HIS 19 CG 0.0041 -0.0066 -0.0017 159 HIS 19 ND1 0.0055 -0.0080 -0.0034 160 HIS 19 CD2 0.0055 -0.0044 -0.0011 161 HIS 19 CE1 0.0078 -0.0067 -0.0039 162 HIS 19 NE2 0.0078 -0.0046 -0.0025 163 ARG 20 N -0.0010 -0.0143 0.0071 164 ARG 20 CA -0.0061 -0.0129 0.0048 165 ARG 20 C -0.0064 -0.0151 0.0008 166 ARG 20 O -0.0044 -0.0181 -0.0026 167 ARG 20 CB -0.0088 -0.0125 0.0029 168 ARG 20 CG -0.0143 -0.0107 0.0011 169 ARG 20 CD -0.0170 -0.0105 -0.0011 170 ARG 20 NE -0.0164 -0.0088 0.0024 171 ARG 20 CZ -0.0191 -0.0055 0.0056 172 ARG 20 NH1 -0.0227 -0.0034 0.0061 173 ARG 20 NH2 -0.0182 -0.0044 0.0083 174 GLY 21 N -0.0062 -0.0179 -0.0057 175 GLY 21 CA -0.0089 -0.0216 -0.0144 176 GLY 21 C -0.0138 -0.0177 -0.0204 177 GLY 21 O -0.0152 -0.0121 -0.0179 178 SER 22 N -0.0038 -0.0219 -0.0549 179 SER 22 CA -0.0091 -0.0095 -0.0698 180 SER 22 C -0.0196 -0.0005 -0.0652 181 SER 22 O -0.0286 0.0124 -0.0724 182 SER 22 CB 0.0026 -0.0144 -0.0862 183 SER 22 OG 0.0104 -0.0248 -0.0817 184 THR 23 N -0.0193 -0.0075 -0.0357 185 THR 23 CA -0.0246 -0.0015 -0.0324 186 THR 23 C -0.0252 0.0019 -0.0249 187 THR 23 O -0.0287 0.0066 -0.0207 188 THR 23 CB -0.0241 -0.0013 -0.0307 189 THR 23 OG1 -0.0180 -0.0047 -0.0256 190 THR 23 CG2 -0.0245 -0.0038 -0.0384 191 GLY 24 N -0.0220 -0.0005 -0.0184 192 GLY 24 CA -0.0194 0.0038 -0.0088 193 GLY 24 C -0.0133 0.0013 -0.0010 194 GLY 24 O -0.0091 -0.0064 -0.0023 195 LEU 25 N -0.0102 0.0037 0.0003 196 LEU 25 CA -0.0081 0.0027 0.0037 197 LEU 25 C -0.0079 0.0027 0.0046 198 LEU 25 O -0.0059 0.0013 0.0068 199 LEU 25 CB -0.0089 0.0044 0.0071 200 LEU 25 CG -0.0087 0.0041 0.0068 201 LEU 25 CD1 -0.0099 0.0062 0.0100 202 LEU 25 CD2 -0.0057 0.0012 0.0070 203 GLY 26 N -0.0064 0.0027 0.0058 204 GLY 26 CA -0.0071 0.0032 0.0050 205 GLY 26 C -0.0065 0.0039 0.0042 206 GLY 26 O -0.0070 0.0043 0.0036 207 PHE 27 N 0.0018 0.0076 0.0039 208 PHE 27 CA 0.0031 0.0080 0.0017 209 PHE 27 C 0.0060 0.0091 0.0022 210 PHE 27 O 0.0068 0.0095 0.0045 211 PHE 27 CB 0.0019 0.0075 0.0015 212 PHE 27 CG 0.0022 0.0078 0.0039 213 PHE 27 CD1 0.0003 0.0072 0.0059 214 PHE 27 CD2 0.0044 0.0086 0.0041 215 PHE 27 CE1 0.0005 0.0074 0.0081 216 PHE 27 CE2 0.0046 0.0088 0.0064 217 PHE 27 CZ 0.0027 0.0082 0.0083 218 ASN 28 N 0.0146 0.0073 0.0010 219 ASN 28 CA 0.0188 0.0086 0.0011 220 ASN 28 C 0.0196 0.0089 -0.0002 221 ASN 28 O 0.0174 0.0082 -0.0027 222 ASN 28 CB 0.0210 0.0093 -0.0017 223 ASN 28 CG 0.0207 0.0092 -0.0003 224 ASN 28 OD1 0.0199 0.0090 0.0032 225 ASN 28 ND2 0.0214 0.0094 -0.0030 226 ILE 29 N 0.0284 0.0117 -0.0005 227 ILE 29 CA 0.0249 0.0093 -0.0010 228 ILE 29 C 0.0285 0.0075 -0.0024 229 ILE 29 O 0.0331 0.0096 -0.0022 230 ILE 29 CB 0.0205 0.0128 0.0014 231 ILE 29 CG1 0.0231 0.0179 0.0032 232 ILE 29 CG2 0.0165 0.0137 0.0024 233 ILE 29 CD1 0.0190 0.0211 0.0054 234 VAL 30 N 0.0327 0.0033 0.0003 235 VAL 30 CA 0.0357 0.0045 -0.0012 236 VAL 30 C 0.0333 0.0046 0.0011 237 VAL 30 O 0.0292 0.0031 0.0032 238 VAL 30 CB 0.0376 0.0016 -0.0061 239 VAL 30 CG1 0.0407 0.0020 -0.0085 240 VAL 30 CG2 0.0341 -0.0029 -0.0076 241 GLY 31 N 0.0408 -0.0070 0.0045 242 GLY 31 CA 0.0333 -0.0090 0.0043 243 GLY 31 C 0.0296 -0.0021 0.0048 244 GLY 31 O 0.0335 0.0036 0.0053 245 GLY 32 N 0.0210 -0.0040 0.0007 246 GLY 32 CA 0.0139 0.0024 -0.0013 247 GLY 32 C 0.0136 -0.0047 -0.0016 248 GLY 32 O 0.0093 0.0004 -0.0028 249 GLU 33 N 0.0224 -0.0327 -0.0041 250 GLU 33 CA 0.0142 -0.0455 -0.0021 251 GLU 33 C -0.0002 -0.0574 -0.0027 252 GLU 33 O 0.0013 -0.0610 -0.0009 253 GLU 33 CB 0.0284 -0.0557 0.0064 254 GLU 33 CG 0.0420 -0.0433 0.0065 255 GLU 33 CD 0.0574 -0.0522 0.0150 256 GLU 33 OE1 0.0693 -0.0423 0.0154 257 GLU 33 OE2 0.0575 -0.0683 0.0209 258 ASP 34 N -0.0139 -0.0756 -0.0125 259 ASP 34 CA -0.0297 -0.0903 -0.0139 260 ASP 34 C -0.0326 -0.0810 -0.0227 261 ASP 34 O -0.0410 -0.0929 -0.0206 262 ASP 34 CB -0.0262 -0.1121 0.0042 263 ASP 34 CG -0.0271 -0.1221 0.0106 264 ASP 34 OD1 -0.0397 -0.1189 -0.0012 265 ASP 34 OD2 -0.0155 -0.1328 0.0270 266 GLY 35 N -0.0225 -0.0528 -0.0149 267 GLY 35 CA -0.0253 -0.0473 -0.0196 268 GLY 35 C -0.0203 -0.0461 -0.0156 269 GLY 35 O -0.0228 -0.0429 -0.0190 270 GLU 36 N -0.0189 -0.0496 -0.0145 271 GLU 36 CA -0.0114 -0.0499 -0.0090 272 GLU 36 C -0.0091 -0.0314 -0.0100 273 GLU 36 O -0.0078 -0.0297 -0.0093 274 GLU 36 CB 0.0033 -0.0578 0.0028 275 GLU 36 CG 0.0019 -0.0774 0.0045 276 GLU 36 CD 0.0161 -0.0863 0.0161 277 GLU 36 OE1 0.0150 -0.1026 0.0176 278 GLU 36 OE2 0.0279 -0.0766 0.0232 279 GLY 37 N -0.0066 -0.0180 -0.0069 280 GLY 37 CA -0.0076 -0.0083 -0.0053 281 GLY 37 C 0.0027 -0.0042 -0.0010 282 GLY 37 O 0.0109 -0.0086 0.0009 283 ILE 38 N 0.0026 0.0027 0.0005 284 ILE 38 CA 0.0080 0.0054 0.0008 285 ILE 38 C 0.0099 0.0024 0.0007 286 ILE 38 O 0.0064 0.0019 0.0006 287 ILE 38 CB 0.0070 0.0119 0.0012 288 ILE 38 CG1 0.0048 0.0150 0.0014 289 ILE 38 CG2 0.0126 0.0148 0.0015 290 ILE 38 CD1 0.0087 0.0147 0.0014 291 PHE 39 N 0.0137 0.0019 0.0007 292 PHE 39 CA 0.0162 -0.0002 0.0012 293 PHE 39 C 0.0209 0.0026 0.0019 294 PHE 39 O 0.0234 0.0044 0.0022 295 PHE 39 CB 0.0171 -0.0056 0.0017 296 PHE 39 CG 0.0126 -0.0087 0.0011 297 PHE 39 CD1 0.0102 -0.0110 0.0008 298 PHE 39 CD2 0.0108 -0.0092 0.0008 299 PHE 39 CE1 0.0060 -0.0138 0.0003 300 PHE 39 CE2 0.0066 -0.0120 0.0003 301 PHE 39 CZ 0.0042 -0.0143 0.0000 302 ILE 40 N 0.0127 0.0051 -0.0021 303 ILE 40 CA 0.0127 0.0053 -0.0017 304 ILE 40 C 0.0145 0.0046 -0.0039 305 ILE 40 O 0.0138 0.0035 -0.0061 306 ILE 40 CB 0.0098 0.0049 -0.0015 307 ILE 40 CG1 0.0079 0.0056 0.0005 308 ILE 40 CG2 0.0098 0.0051 -0.0011 309 ILE 40 CD1 0.0089 0.0070 0.0032 310 SER 41 N 0.0173 0.0064 -0.0058 311 SER 41 CA 0.0181 0.0072 -0.0093 312 SER 41 C 0.0148 0.0063 -0.0101 313 SER 41 O 0.0141 0.0067 -0.0136 314 SER 41 CB 0.0221 0.0083 -0.0084 315 SER 41 OG 0.0220 0.0077 -0.0047 316 PHE 42 N 0.0127 0.0079 -0.0106 317 PHE 42 CA 0.0101 0.0068 -0.0112 318 PHE 42 C 0.0072 0.0052 -0.0081 319 PHE 42 O 0.0080 0.0054 -0.0047 320 PHE 42 CB 0.0123 0.0077 -0.0109 321 PHE 42 CG 0.0099 0.0067 -0.0111 322 PHE 42 CD1 0.0090 0.0060 -0.0076 323 PHE 42 CD2 0.0086 0.0063 -0.0148 324 PHE 42 CE1 0.0068 0.0051 -0.0078 325 PHE 42 CE2 0.0064 0.0053 -0.0150 326 PHE 42 CZ 0.0055 0.0047 -0.0115 327 ILE 43 N 0.0030 0.0076 -0.0067 328 ILE 43 CA 0.0009 0.0050 -0.0047 329 ILE 43 C -0.0018 0.0041 -0.0058 330 ILE 43 O -0.0032 0.0049 -0.0086 331 ILE 43 CB -0.0004 0.0044 -0.0050 332 ILE 43 CG1 0.0024 0.0053 -0.0037 333 ILE 43 CG2 -0.0029 0.0017 -0.0031 334 ILE 43 CD1 0.0014 0.0049 -0.0040 335 LEU 44 N -0.0062 0.0051 -0.0023 336 LEU 44 CA -0.0095 0.0040 -0.0017 337 LEU 44 C -0.0121 0.0041 -0.0020 338 LEU 44 O -0.0117 0.0028 -0.0009 339 LEU 44 CB -0.0090 0.0011 0.0006 340 LEU 44 CG -0.0123 -0.0004 0.0015 341 LEU 44 CD1 -0.0138 0.0009 0.0005 342 LEU 44 CD2 -0.0116 -0.0033 0.0039 343 ALA 45 N -0.0162 0.0058 -0.0039 344 ALA 45 CA -0.0194 0.0062 -0.0042 345 ALA 45 C -0.0213 0.0028 -0.0018 346 ALA 45 O -0.0224 0.0008 -0.0004 347 ALA 45 CB -0.0226 0.0087 -0.0059 348 GLY 46 N -0.0190 0.0022 -0.0011 349 GLY 46 CA -0.0192 -0.0011 -0.0011 350 GLY 46 C -0.0174 -0.0035 -0.0007 351 GLY 46 O -0.0175 -0.0064 -0.0007 352 GLY 47 N -0.0124 -0.0020 -0.0006 353 GLY 47 CA -0.0103 -0.0033 0.0007 354 GLY 47 C -0.0084 -0.0039 0.0016 355 GLY 47 O -0.0085 -0.0028 0.0011 356 PRO 48 N -0.0062 -0.0053 0.0018 357 PRO 48 CA -0.0037 -0.0061 0.0028 358 PRO 48 C -0.0020 -0.0039 0.0038 359 PRO 48 O -0.0005 -0.0042 0.0044 360 PRO 48 CB -0.0028 -0.0077 0.0030 361 PRO 48 CG -0.0051 -0.0088 0.0018 362 PRO 48 CD -0.0070 -0.0066 0.0013 363 ALA 49 N -0.0032 -0.0011 0.0041 364 ALA 49 CA -0.0020 0.0007 0.0042 365 ALA 49 C -0.0030 0.0018 0.0036 366 ALA 49 O -0.0020 0.0025 0.0038 367 ALA 49 CB -0.0016 0.0021 0.0041 368 ASP 50 N -0.0045 0.0019 0.0016 369 ASP 50 CA -0.0067 0.0037 0.0004 370 ASP 50 C -0.0073 0.0018 0.0008 371 ASP 50 O -0.0067 0.0032 0.0005 372 ASP 50 CB -0.0101 0.0040 -0.0008 373 ASP 50 CG -0.0126 0.0062 -0.0023 374 ASP 50 OD1 -0.0114 0.0090 -0.0028 375 ASP 50 OD2 -0.0157 0.0051 -0.0028 376 LEU 51 N -0.0080 0.0002 0.0008 377 LEU 51 CA -0.0081 -0.0019 0.0012 378 LEU 51 C -0.0042 -0.0018 0.0019 379 LEU 51 O -0.0042 -0.0021 0.0020 380 LEU 51 CB -0.0094 -0.0059 0.0018 381 LEU 51 CG -0.0136 -0.0064 0.0011 382 LEU 51 CD1 -0.0145 -0.0105 0.0018 383 LEU 51 CD2 -0.0163 -0.0052 0.0003 384 SER 52 N -0.0010 0.0005 0.0024 385 SER 52 CA 0.0014 0.0009 0.0028 386 SER 52 C 0.0019 0.0031 0.0031 387 SER 52 O 0.0036 0.0034 0.0034 388 SER 52 CB 0.0028 0.0007 0.0030 389 SER 52 OG 0.0026 0.0026 0.0032 390 GLY 53 N 0.0011 0.0042 0.0030 391 GLY 53 CA 0.0014 0.0062 0.0036 392 GLY 53 C 0.0026 0.0068 0.0031 393 GLY 53 O 0.0029 0.0085 0.0036 394 GLU 54 N 0.0037 0.0051 0.0029 395 GLU 54 CA 0.0044 0.0053 0.0027 396 GLU 54 C 0.0044 0.0053 0.0028 397 GLU 54 O 0.0047 0.0057 0.0027 398 GLU 54 CB 0.0050 0.0048 0.0026 399 GLU 54 CG 0.0052 0.0049 0.0025 400 GLU 54 CD 0.0059 0.0045 0.0023 401 GLU 54 OE1 0.0063 0.0048 0.0022 402 GLU 54 OE2 0.0059 0.0038 0.0023 403 LEU 55 N 0.0034 0.0043 0.0024 404 LEU 55 CA 0.0037 0.0051 0.0023 405 LEU 55 C 0.0036 0.0055 0.0015 406 LEU 55 O 0.0032 0.0052 0.0009 407 LEU 55 CB 0.0039 0.0051 0.0025 408 LEU 55 CG 0.0043 0.0060 0.0026 409 LEU 55 CD1 0.0047 0.0062 0.0033 410 LEU 55 CD2 0.0043 0.0060 0.0026 411 ARG 56 N 0.0065 0.0031 -0.0007 412 ARG 56 CA 0.0070 0.0024 -0.0006 413 ARG 56 C 0.0071 0.0023 -0.0006 414 ARG 56 O 0.0065 0.0025 -0.0006 415 ARG 56 CB 0.0066 0.0016 -0.0005 416 ARG 56 CG 0.0066 0.0017 -0.0005 417 ARG 56 CD 0.0062 0.0009 -0.0005 418 ARG 56 NE 0.0061 0.0010 -0.0005 419 ARG 56 CZ 0.0064 0.0004 -0.0004 420 ARG 56 NH1 0.0068 -0.0003 -0.0004 421 ARG 56 NH2 0.0062 0.0006 -0.0005 422 LYS 57 N 0.0062 -0.0014 -0.0045 423 LYS 57 CA 0.0080 0.0024 -0.0057 424 LYS 57 C 0.0086 0.0035 -0.0043 425 LYS 57 O 0.0076 0.0014 -0.0048 426 LYS 57 CB 0.0082 0.0027 -0.0104 427 LYS 57 CG 0.0101 0.0067 -0.0119 428 LYS 57 CD 0.0102 0.0070 -0.0165 429 LYS 57 CE 0.0121 0.0109 -0.0178 430 LYS 57 NZ 0.0123 0.0114 -0.0222 431 GLY 58 N 0.0114 -0.0002 -0.0016 432 GLY 58 CA 0.0107 -0.0003 -0.0006 433 GLY 58 C 0.0097 -0.0002 0.0008 434 GLY 58 O 0.0091 -0.0000 0.0017 435 ASP 59 N 0.0086 0.0010 0.0007 436 ASP 59 CA 0.0076 0.0015 0.0008 437 ASP 59 C 0.0077 0.0016 0.0009 438 ASP 59 O 0.0086 0.0021 0.0014 439 ASP 59 CB 0.0071 0.0025 0.0013 440 ASP 59 CG 0.0065 0.0024 0.0011 441 ASP 59 OD1 0.0060 0.0017 0.0005 442 ASP 59 OD2 0.0065 0.0032 0.0016 443 ARG 60 N 0.0073 -0.0019 0.0042 444 ARG 60 CA 0.0037 -0.0014 0.0022 445 ARG 60 C 0.0022 0.0047 0.0003 446 ARG 60 O 0.0004 0.0068 -0.0011 447 ARG 60 CB -0.0008 -0.0057 0.0005 448 ARG 60 CG -0.0043 -0.0058 -0.0014 449 ARG 60 CD -0.0088 -0.0102 -0.0031 450 ARG 60 NE -0.0121 -0.0105 -0.0049 451 ARG 60 CZ -0.0164 -0.0138 -0.0066 452 ARG 60 NH1 -0.0182 -0.0172 -0.0071 453 ARG 60 NH2 -0.0188 -0.0138 -0.0080 454 ILE 61 N 0.0007 0.0056 0.0021 455 ILE 61 CA -0.0006 0.0086 0.0021 456 ILE 61 C -0.0036 0.0086 0.0019 457 ILE 61 O -0.0039 0.0082 0.0018 458 ILE 61 CB 0.0014 0.0110 0.0025 459 ILE 61 CG1 0.0045 0.0109 0.0028 460 ILE 61 CG2 -0.0000 0.0140 0.0025 461 ILE 61 CD1 0.0066 0.0133 0.0031 462 ILE 62 N -0.0046 0.0074 0.0032 463 ILE 62 CA -0.0089 0.0079 0.0034 464 ILE 62 C -0.0099 0.0123 0.0033 465 ILE 62 O -0.0121 0.0135 0.0034 466 ILE 62 CB -0.0114 0.0058 0.0037 467 ILE 62 CG1 -0.0104 0.0013 0.0038 468 ILE 62 CG2 -0.0159 0.0064 0.0039 469 ILE 62 CD1 -0.0108 -0.0013 0.0039 470 SER 63 N -0.0071 0.0115 0.0055 471 SER 63 CA -0.0076 0.0154 0.0053 472 SER 63 C -0.0046 0.0168 0.0040 473 SER 63 O -0.0028 0.0146 0.0035 474 SER 63 CB -0.0111 0.0161 0.0066 475 SER 63 OG -0.0111 0.0142 0.0068 476 VAL 64 N -0.0015 0.0166 0.0046 477 VAL 64 CA -0.0003 0.0168 0.0030 478 VAL 64 C -0.0008 0.0176 0.0027 479 VAL 64 O -0.0020 0.0189 0.0027 480 VAL 64 CB -0.0001 0.0178 0.0017 481 VAL 64 CG1 0.0010 0.0182 0.0000 482 VAL 64 CG2 0.0005 0.0170 0.0018 483 ASN 65 N 0.0034 0.0051 0.0013 484 ASN 65 CA 0.0043 0.0041 0.0016 485 ASN 65 C 0.0031 0.0053 0.0061 486 ASN 65 O 0.0039 0.0041 0.0097 487 ASN 65 CB 0.0036 0.0051 -0.0027 488 ASN 65 CG 0.0053 0.0033 -0.0068 489 ASN 65 OD1 0.0075 0.0004 -0.0066 490 ASN 65 ND2 0.0042 0.0048 -0.0108 491 SER 66 N -0.0092 0.0192 0.0086 492 SER 66 CA -0.0224 0.0219 0.0194 493 SER 66 C -0.0211 0.0282 0.0187 494 SER 66 O -0.0312 0.0332 0.0271 495 SER 66 CB -0.0308 0.0348 0.0268 496 SER 66 OG -0.0316 0.0294 0.0272 497 VAL 67 N -0.0129 0.0232 0.0117 498 VAL 67 CA -0.0108 0.0254 0.0106 499 VAL 67 C -0.0108 0.0257 0.0082 500 VAL 67 O -0.0119 0.0250 0.0060 501 VAL 67 CB -0.0101 0.0262 0.0096 502 VAL 67 CG1 -0.0078 0.0284 0.0088 503 VAL 67 CG2 -0.0102 0.0257 0.0120 504 ASP 68 N -0.0256 0.0304 0.0124 505 ASP 68 CA -0.0255 0.0249 0.0103 506 ASP 68 C -0.0197 0.0247 0.0082 507 ASP 68 O -0.0179 0.0285 0.0089 508 ASP 68 CB -0.0306 0.0240 0.0118 509 ASP 68 CG -0.0315 0.0180 0.0100 510 ASP 68 OD1 -0.0277 0.0148 0.0074 511 ASP 68 OD2 -0.0363 0.0165 0.0111 512 LEU 69 N -0.0172 0.0230 0.0053 513 LEU 69 CA -0.0127 0.0216 0.0044 514 LEU 69 C -0.0133 0.0162 0.0042 515 LEU 69 O -0.0096 0.0143 0.0034 516 LEU 69 CB -0.0077 0.0219 0.0036 517 LEU 69 CG -0.0064 0.0273 0.0037 518 LEU 69 CD1 -0.0010 0.0271 0.0028 519 LEU 69 CD2 -0.0062 0.0318 0.0040 520 ARG 70 N -0.0221 0.0118 -0.0022 521 ARG 70 CA -0.0241 0.0037 0.0003 522 ARG 70 C -0.0256 0.0026 0.0007 523 ARG 70 O -0.0235 -0.0036 0.0023 524 ARG 70 CB -0.0314 0.0010 0.0017 525 ARG 70 CG -0.0292 -0.0003 0.0019 526 ARG 70 CD -0.0365 -0.0029 0.0033 527 ARG 70 NE -0.0426 0.0035 0.0021 528 ARG 70 CZ -0.0497 0.0029 0.0029 529 ARG 70 NH1 -0.0520 -0.0036 0.0050 530 ARG 70 NH2 -0.0545 0.0091 0.0016 531 ALA 71 N -0.0333 0.0083 0.0022 532 ALA 71 CA -0.0388 0.0036 0.0029 533 ALA 71 C -0.0332 0.0133 -0.0000 534 ALA 71 O -0.0398 0.0134 -0.0018 535 ALA 71 CB -0.0554 0.0015 -0.0004 536 ALA 72 N -0.0229 0.0199 0.0031 537 ALA 72 CA -0.0176 0.0274 0.0025 538 ALA 72 C -0.0096 0.0254 0.0007 539 ALA 72 O -0.0063 0.0184 -0.0006 540 ALA 72 CB -0.0154 0.0309 0.0024 541 SER 73 N -0.0078 0.0337 0.0047 542 SER 73 CA 0.0037 0.0330 0.0023 543 SER 73 C 0.0115 0.0343 0.0010 544 SER 73 O 0.0084 0.0381 0.0024 545 SER 73 CB 0.0066 0.0414 0.0034 546 SER 73 OG 0.0103 0.0518 0.0048 547 HIS 74 N 0.0173 0.0287 0.0002 548 HIS 74 CA 0.0238 0.0302 -0.0004 549 HIS 74 C 0.0248 0.0385 -0.0002 550 HIS 74 O 0.0260 0.0406 -0.0003 551 HIS 74 CB 0.0307 0.0271 -0.0012 552 HIS 74 CG 0.0374 0.0273 -0.0019 553 HIS 74 ND1 0.0394 0.0216 -0.0023 554 HIS 74 CD2 0.0423 0.0330 -0.0022 555 HIS 74 CE1 0.0455 0.0239 -0.0028 556 HIS 74 NE2 0.0474 0.0308 -0.0028 557 GLU 75 N 0.0251 0.0501 -0.0030 558 GLU 75 CA 0.0260 0.0596 -0.0006 559 GLU 75 C 0.0175 0.0599 0.0056 560 GLU 75 O 0.0180 0.0628 0.0061 561 GLU 75 CB 0.0281 0.0698 0.0012 562 GLU 75 CG 0.0367 0.0710 -0.0046 563 GLU 75 CD 0.0358 0.0635 -0.0064 564 GLU 75 OE1 0.0431 0.0616 -0.0122 565 GLU 75 OE2 0.0281 0.0596 -0.0021 566 GLN 76 N 0.0157 0.0542 0.0061 567 GLN 76 CA 0.0103 0.0534 0.0104 568 GLN 76 C 0.0122 0.0461 0.0091 569 GLN 76 O 0.0115 0.0475 0.0096 570 GLN 76 CB 0.0035 0.0513 0.0159 571 GLN 76 CG 0.0005 0.0592 0.0182 572 GLN 76 CD -0.0060 0.0568 0.0234 573 GLN 76 OE1 -0.0069 0.0495 0.0243 574 GLN 76 NE2 -0.0109 0.0628 0.0272 575 ALA 77 N 0.0090 0.0432 0.0060 576 ALA 77 CA 0.0067 0.0398 0.0045 577 ALA 77 C 0.0086 0.0410 0.0042 578 ALA 77 O 0.0059 0.0403 0.0056 579 ALA 77 CB 0.0072 0.0360 0.0004 580 ALA 78 N -0.0016 0.0466 -0.0012 581 ALA 78 CA -0.0089 0.0413 -0.0008 582 ALA 78 C -0.0083 0.0336 0.0115 583 ALA 78 O -0.0170 0.0260 0.0140 584 ALA 78 CB -0.0054 0.0477 -0.0069 585 ALA 79 N -0.0065 0.0239 0.0048 586 ALA 79 CA 0.0020 0.0019 0.0066 587 ALA 79 C 0.0130 -0.0002 0.0063 588 ALA 79 O 0.0087 -0.0159 0.0081 589 ALA 79 CB 0.0178 -0.0043 0.0065 590 ALA 80 N 0.0181 0.0205 0.0021 591 ALA 80 CA 0.0224 0.0189 0.0029 592 ALA 80 C 0.0149 0.0172 0.0020 593 ALA 80 O 0.0155 0.0102 0.0028 594 ALA 80 CB 0.0289 0.0272 0.0031 595 LEU 81 N -0.0040 0.0187 0.0110 596 LEU 81 CA -0.0093 0.0176 0.0099 597 LEU 81 C -0.0126 0.0127 0.0107 598 LEU 81 O -0.0152 0.0096 0.0110 599 LEU 81 CB -0.0126 0.0226 0.0074 600 LEU 81 CG -0.0104 0.0274 0.0063 601 LEU 81 CD1 -0.0130 0.0324 0.0040 602 LEU 81 CD2 -0.0116 0.0267 0.0063 603 LYS 82 N -0.0339 0.0262 0.0235 604 LYS 82 CA -0.0647 -0.0249 0.0265 605 LYS 82 C -0.0273 -0.0590 -0.0070 606 LYS 82 O -0.0401 -0.0737 -0.0037 607 LYS 82 CB -0.0992 -0.0669 0.0346 608 LYS 82 CG -0.1355 -0.1197 0.0404 609 LYS 82 CD -0.1702 -0.1589 0.0494 610 LYS 82 CE -0.2051 -0.2123 0.0542 611 LYS 82 NZ -0.2388 -0.2516 0.0626 612 ASN 83 N -0.0203 -0.0682 0.0111 613 ASN 83 CA 0.0005 -0.0872 -0.0053 614 ASN 83 C 0.0091 -0.0493 -0.0213 615 ASN 83 O 0.0215 -0.0607 -0.0311 616 ASN 83 CB 0.0332 -0.1165 -0.0311 617 ASN 83 CG 0.0260 -0.1594 -0.0154 618 ASN 83 OD1 0.0005 -0.1784 0.0132 619 ASN 83 ND2 0.0488 -0.1767 -0.0342 620 ALA 84 N 0.0026 -0.0149 -0.0055 621 ALA 84 CA 0.0078 -0.0089 -0.0065 622 ALA 84 C 0.0023 -0.0136 -0.0051 623 ALA 84 O -0.0077 -0.0152 -0.0013 624 ALA 84 CB 0.0071 0.0042 -0.0036 625 GLY 85 N 0.0011 -0.0162 -0.0078 626 GLY 85 CA 0.0004 -0.0178 -0.0081 627 GLY 85 C -0.0016 -0.0138 -0.0050 628 GLY 85 O -0.0039 -0.0106 -0.0021 629 GLN 86 N -0.0019 -0.0172 -0.0071 630 GLN 86 CA -0.0021 -0.0161 -0.0062 631 GLN 86 C 0.0004 -0.0134 -0.0040 632 GLN 86 O -0.0006 -0.0116 -0.0023 633 GLN 86 CB -0.0009 -0.0185 -0.0083 634 GLN 86 CG -0.0040 -0.0209 -0.0102 635 GLN 86 CD -0.0077 -0.0199 -0.0092 636 GLN 86 OE1 -0.0079 -0.0175 -0.0071 637 GLN 86 NE2 -0.0107 -0.0216 -0.0105 638 THR 87 N 0.0014 -0.0105 -0.0063 639 THR 87 CA 0.0034 -0.0081 -0.0051 640 THR 87 C 0.0038 -0.0065 -0.0043 641 THR 87 O 0.0050 -0.0077 -0.0049 642 THR 87 CB 0.0066 -0.0088 -0.0056 643 THR 87 OG1 0.0061 -0.0104 -0.0064 644 THR 87 CG2 0.0086 -0.0063 -0.0043 645 VAL 88 N 0.0037 -0.0012 0.0006 646 VAL 88 CA 0.0044 0.0012 0.0013 647 VAL 88 C 0.0060 0.0031 0.0022 648 VAL 88 O 0.0051 0.0043 0.0021 649 VAL 88 CB 0.0018 0.0027 0.0009 650 VAL 88 CG1 0.0025 0.0049 0.0015 651 VAL 88 CG2 -0.0001 0.0006 -0.0001 652 THR 89 N 0.0043 0.0026 -0.0012 653 THR 89 CA 0.0051 0.0028 0.0008 654 THR 89 C 0.0041 0.0047 0.0017 655 THR 89 O 0.0034 0.0058 0.0020 656 THR 89 CB 0.0063 0.0021 0.0021 657 THR 89 OG1 0.0073 0.0003 0.0013 658 THR 89 CG2 0.0071 0.0023 0.0042 659 ILE 90 N 0.0034 0.0085 0.0031 660 ILE 90 CA 0.0032 0.0089 0.0033 661 ILE 90 C 0.0036 0.0091 0.0037 662 ILE 90 O 0.0038 0.0090 0.0037 663 ILE 90 CB 0.0028 0.0091 0.0032 664 ILE 90 CG1 0.0025 0.0088 0.0029 665 ILE 90 CG2 0.0026 0.0095 0.0034 666 ILE 90 CD1 0.0020 0.0090 0.0027 667 ILE 91 N 0.0010 0.0080 0.0029 668 ILE 91 CA 0.0008 0.0072 0.0041 669 ILE 91 C 0.0007 0.0073 0.0041 670 ILE 91 O 0.0001 0.0082 0.0040 671 ILE 91 CB -0.0002 0.0075 0.0052 672 ILE 91 CG1 -0.0002 0.0076 0.0051 673 ILE 91 CG2 -0.0003 0.0066 0.0065 674 ILE 91 CD1 0.0007 0.0065 0.0051 675 ALA 92 N 0.0017 0.0059 0.0035 676 ALA 92 CA 0.0023 0.0052 0.0034 677 ALA 92 C 0.0019 0.0040 0.0038 678 ALA 92 O 0.0016 0.0036 0.0040 679 ALA 92 CB 0.0035 0.0053 0.0029 680 GLN 93 N 0.0020 0.0033 0.0023 681 GLN 93 CA 0.0015 0.0018 0.0023 682 GLN 93 C 0.0027 0.0007 0.0025 683 GLN 93 O 0.0032 0.0006 0.0026 684 GLN 93 CB 0.0001 0.0014 0.0020 685 GLN 93 CG -0.0005 -0.0002 0.0020 686 GLN 93 CD -0.0019 -0.0006 0.0018 687 GLN 93 OE1 -0.0023 -0.0001 0.0017 688 GLN 93 NE2 -0.0029 -0.0014 0.0017 689 TYR 94 N 0.0043 0.0009 0.0007 690 TYR 94 CA 0.0050 0.0001 0.0009 691 TYR 94 C 0.0047 -0.0008 0.0006 692 TYR 94 O 0.0039 -0.0010 0.0003 693 TYR 94 CB 0.0053 -0.0000 0.0009 694 TYR 94 CG 0.0062 -0.0006 0.0012 695 TYR 94 CD1 0.0063 -0.0015 0.0010 696 TYR 94 CD2 0.0071 -0.0001 0.0015 697 TYR 94 CE1 0.0071 -0.0021 0.0012 698 TYR 94 CE2 0.0079 -0.0006 0.0017 699 TYR 94 CZ 0.0079 -0.0016 0.0016 700 TYR 94 OH 0.0088 -0.0021 0.0018 701 LYS 95 N 0.0058 0.0009 0.0000 702 LYS 95 CA 0.0046 -0.0063 -0.0024 703 LYS 95 C 0.0052 -0.0044 0.0002 704 LYS 95 O 0.0066 -0.0011 0.0076 705 LYS 95 CB 0.0041 -0.0152 0.0014 706 LYS 95 CG 0.0027 -0.0230 -0.0022 707 LYS 95 CD 0.0021 -0.0318 0.0014 708 LYS 95 CE 0.0007 -0.0395 -0.0024 709 LYS 95 NZ 0.0002 -0.0481 0.0011 710 LYS 95 OXT 0.0042 -0.0066 -0.0051