1 GLY 1 N 0.1106 -0.1195 0.0522 2 GLY 1 CA 0.0823 -0.1081 0.0448 3 GLY 1 C 0.0617 -0.0870 0.0358 4 GLY 1 O 0.0615 -0.0885 0.0362 5 ARG 2 N 0.0511 -0.0593 0.0312 6 ARG 2 CA 0.0388 -0.0500 0.0260 7 ARG 2 C 0.0205 -0.0553 0.0263 8 ARG 2 O 0.0165 -0.0549 0.0257 9 ARG 2 CB 0.0420 -0.0312 0.0184 10 ARG 2 CG 0.0322 -0.0206 0.0129 11 ARG 2 CD 0.0345 -0.0019 0.0053 12 ARG 2 NE 0.0528 0.0035 0.0049 13 ARG 2 CZ 0.0578 0.0183 -0.0008 14 ARG 2 NH1 0.0468 0.0304 -0.0071 15 ARG 2 NH2 0.0746 0.0211 -0.0002 16 ILE 3 N 0.0185 -0.0777 0.0155 17 ILE 3 CA -0.0055 -0.0842 0.0114 18 ILE 3 C -0.0156 -0.0569 0.0115 19 ILE 3 O -0.0157 -0.0344 0.0129 20 ILE 3 CB -0.0294 -0.0988 0.0067 21 ILE 3 CG1 -0.0194 -0.1291 0.0064 22 ILE 3 CG2 -0.0569 -0.1004 0.0023 23 ILE 3 CD1 -0.0398 -0.1441 0.0023 24 ALA 4 N -0.0104 -0.0351 0.0032 25 ALA 4 CA -0.0147 -0.0248 0.0030 26 ALA 4 C -0.0197 -0.0206 0.0040 27 ALA 4 O -0.0266 -0.0248 0.0070 28 ALA 4 CB -0.0218 -0.0239 0.0052 29 SER 5 N -0.0191 -0.0061 -0.0017 30 SER 5 CA -0.0191 -0.0011 -0.0035 31 SER 5 C -0.0236 0.0057 -0.0059 32 SER 5 O -0.0255 0.0099 -0.0074 33 SER 5 CB -0.0107 0.0013 -0.0041 34 SER 5 OG -0.0067 0.0045 -0.0051 35 ILE 6 N -0.0107 -0.0019 -0.0036 36 ILE 6 CA -0.0109 0.0010 -0.0022 37 ILE 6 C -0.0123 0.0012 -0.0015 38 ILE 6 O -0.0115 0.0002 -0.0023 39 ILE 6 CB -0.0080 0.0027 -0.0025 40 ILE 6 CG1 -0.0067 0.0026 -0.0031 41 ILE 6 CG2 -0.0082 0.0057 -0.0011 42 ILE 6 CD1 -0.0035 0.0035 -0.0039 43 PRO 7 N -0.0087 -0.0013 -0.0020 44 PRO 7 CA -0.0084 -0.0012 -0.0019 45 PRO 7 C -0.0071 -0.0010 -0.0019 46 PRO 7 O -0.0065 -0.0005 -0.0013 47 PRO 7 CB -0.0091 -0.0008 -0.0008 48 PRO 7 CG -0.0101 -0.0010 -0.0007 49 PRO 7 CD -0.0097 -0.0011 -0.0013 50 GLY 8 N -0.0074 -0.0006 -0.0005 51 GLY 8 CA -0.0047 -0.0002 -0.0009 52 GLY 8 C -0.0046 0.0000 -0.0030 53 GLY 8 O -0.0024 0.0004 -0.0040 54 GLU 9 N -0.0065 0.0010 -0.0007 55 GLU 9 CA -0.0057 0.0006 -0.0020 56 GLU 9 C -0.0052 -0.0002 -0.0039 57 GLU 9 O -0.0036 -0.0003 -0.0047 58 GLU 9 CB -0.0072 0.0005 -0.0020 59 GLU 9 CG -0.0065 0.0001 -0.0030 60 GLU 9 CD -0.0081 0.0000 -0.0029 61 GLU 9 OE1 -0.0097 0.0002 -0.0020 62 GLU 9 OE2 -0.0078 -0.0003 -0.0037 63 ALA 10 N -0.0053 -0.0022 -0.0033 64 ALA 10 CA -0.0049 -0.0029 -0.0054 65 ALA 10 C -0.0026 0.0011 -0.0031 66 ALA 10 O -0.0000 0.0023 -0.0059 67 ALA 10 CB -0.0092 -0.0071 -0.0043 68 GLU 11 N -0.0019 0.0018 -0.0058 69 GLU 11 CA -0.0003 0.0026 -0.0050 70 GLU 11 C 0.0012 0.0034 -0.0053 71 GLU 11 O 0.0025 0.0042 -0.0058 72 GLU 11 CB -0.0004 0.0021 -0.0029 73 GLU 11 CG 0.0011 0.0028 -0.0018 74 GLU 11 CD 0.0010 0.0024 0.0004 75 GLU 11 OE1 -0.0003 0.0016 0.0010 76 GLU 11 OE2 0.0022 0.0029 0.0014 77 TYR 12 N 0.0021 0.0043 -0.0062 78 TYR 12 CA 0.0033 0.0051 -0.0065 79 TYR 12 C 0.0030 0.0054 -0.0085 80 TYR 12 O 0.0036 0.0059 -0.0088 81 TYR 12 CB 0.0033 0.0047 -0.0050 82 TYR 12 CG 0.0040 0.0047 -0.0031 83 TYR 12 CD1 0.0057 0.0058 -0.0026 84 TYR 12 CD2 0.0030 0.0037 -0.0018 85 TYR 12 CE1 0.0064 0.0058 -0.0009 86 TYR 12 CE2 0.0037 0.0038 -0.0000 87 TYR 12 CZ 0.0054 0.0048 0.0004 88 TYR 12 OH 0.0060 0.0048 0.0020 89 LEU 13 N 0.0026 0.0049 -0.0087 90 LEU 13 CA 0.0029 0.0048 -0.0108 91 LEU 13 C 0.0048 0.0057 -0.0117 92 LEU 13 O 0.0054 0.0060 -0.0118 93 LEU 13 CB 0.0014 0.0038 -0.0121 94 LEU 13 CG 0.0013 0.0036 -0.0143 95 LEU 13 CD1 0.0009 0.0034 -0.0140 96 LEU 13 CD2 -0.0002 0.0027 -0.0156 97 GLY 14 N 0.0061 0.0071 -0.0137 98 GLY 14 CA 0.0077 0.0091 -0.0145 99 GLY 14 C 0.0094 0.0096 -0.0126 100 GLY 14 O 0.0109 0.0112 -0.0130 101 ARG 15 N 0.0076 0.0096 -0.0125 102 ARG 15 CA 0.0089 0.0103 -0.0106 103 ARG 15 C 0.0082 0.0093 -0.0096 104 ARG 15 O 0.0085 0.0090 -0.0075 105 ARG 15 CB 0.0093 0.0101 -0.0085 106 ARG 15 CG 0.0102 0.0113 -0.0090 107 ARG 15 CD 0.0110 0.0114 -0.0068 108 ARG 15 NE 0.0095 0.0096 -0.0057 109 ARG 15 CZ 0.0096 0.0091 -0.0034 110 ARG 15 NH1 0.0110 0.0101 -0.0018 111 ARG 15 NH2 0.0083 0.0074 -0.0027 112 GLY 16 N 0.0076 0.0076 -0.0095 113 GLY 16 CA 0.0070 0.0069 -0.0089 114 GLY 16 C 0.0056 0.0065 -0.0092 115 GLY 16 O 0.0050 0.0061 -0.0092 116 VAL 17 N 0.0041 0.0061 -0.0079 117 VAL 17 CA 0.0029 0.0055 -0.0084 118 VAL 17 C 0.0028 0.0057 -0.0100 119 VAL 17 O 0.0033 0.0061 -0.0108 120 VAL 17 CB 0.0020 0.0049 -0.0080 121 VAL 17 CG1 0.0007 0.0043 -0.0087 122 VAL 17 CG2 0.0020 0.0047 -0.0064 123 SER 18 N 0.0038 0.0075 -0.0077 124 SER 18 CA 0.0032 0.0081 -0.0086 125 SER 18 C 0.0020 0.0078 -0.0088 126 SER 18 O 0.0015 0.0071 -0.0082 127 SER 18 CB 0.0035 0.0083 -0.0086 128 SER 18 OG 0.0030 0.0089 -0.0095 129 TYR 19 N 0.0021 0.0068 -0.0073 130 TYR 19 CA 0.0009 0.0058 -0.0083 131 TYR 19 C 0.0013 0.0064 -0.0100 132 TYR 19 O 0.0004 0.0057 -0.0113 133 TYR 19 CB -0.0002 0.0050 -0.0090 134 TYR 19 CG -0.0006 0.0045 -0.0075 135 TYR 19 CD1 -0.0015 0.0035 -0.0062 136 TYR 19 CD2 0.0000 0.0050 -0.0074 137 TYR 19 CE1 -0.0019 0.0031 -0.0047 138 TYR 19 CE2 -0.0004 0.0045 -0.0060 139 TYR 19 CZ -0.0013 0.0036 -0.0046 140 TYR 19 OH -0.0016 0.0032 -0.0032 141 CYS 20 N 0.0000 0.0110 -0.0096 142 CYS 20 CA -0.0013 0.0120 -0.0108 143 CYS 20 C -0.0011 0.0116 -0.0105 144 CYS 20 O 0.0003 0.0127 -0.0103 145 CYS 20 CB -0.0009 0.0143 -0.0117 146 CYS 20 SG -0.0029 0.0155 -0.0133 147 ALA 21 N -0.0030 0.0110 -0.0086 148 ALA 21 CA -0.0027 0.0101 -0.0078 149 ALA 21 C -0.0026 0.0110 -0.0085 150 ALA 21 O -0.0015 0.0107 -0.0081 151 ALA 21 CB -0.0042 0.0087 -0.0068 152 THR 22 N -0.0043 0.0132 -0.0097 153 THR 22 CA -0.0044 0.0140 -0.0103 154 THR 22 C -0.0021 0.0150 -0.0115 155 THR 22 O -0.0014 0.0150 -0.0117 156 THR 22 CB -0.0068 0.0156 -0.0109 157 THR 22 OG1 -0.0071 0.0172 -0.0122 158 THR 22 CG2 -0.0092 0.0144 -0.0095 159 CYS 23 N -0.0013 0.0157 -0.0133 160 CYS 23 CA 0.0011 0.0167 -0.0142 161 CYS 23 C 0.0034 0.0150 -0.0133 162 CYS 23 O 0.0046 0.0149 -0.0134 163 CYS 23 CB 0.0019 0.0185 -0.0153 164 CYS 23 SG 0.0040 0.0206 -0.0168 165 ASP 24 N 0.0033 0.0123 -0.0129 166 ASP 24 CA 0.0051 0.0116 -0.0119 167 ASP 24 C 0.0050 0.0101 -0.0107 168 ASP 24 O 0.0066 0.0094 -0.0098 169 ASP 24 CB 0.0057 0.0110 -0.0114 170 ASP 24 CG 0.0060 0.0124 -0.0125 171 ASP 24 OD1 0.0060 0.0139 -0.0137 172 ASP 24 OD2 0.0063 0.0121 -0.0121 173 GLY 25 N 0.0028 0.0098 -0.0096 174 GLY 25 CA 0.0024 0.0078 -0.0082 175 GLY 25 C 0.0037 0.0068 -0.0077 176 GLY 25 O 0.0045 0.0050 -0.0067 177 ALA 26 N 0.0044 0.0081 -0.0090 178 ALA 26 CA 0.0056 0.0071 -0.0087 179 ALA 26 C 0.0084 0.0060 -0.0087 180 ALA 26 O 0.0093 0.0044 -0.0079 181 ALA 26 CB 0.0055 0.0089 -0.0098 182 PHE 27 N 0.0092 0.0069 -0.0099 183 PHE 27 CA 0.0119 0.0061 -0.0100 184 PHE 27 C 0.0123 0.0038 -0.0088 185 PHE 27 O 0.0144 0.0026 -0.0085 186 PHE 27 CB 0.0133 0.0080 -0.0113 187 PHE 27 CG 0.0129 0.0103 -0.0125 188 PHE 27 CD1 0.0107 0.0119 -0.0130 189 PHE 27 CD2 0.0147 0.0110 -0.0133 190 PHE 27 CE1 0.0103 0.0140 -0.0141 191 PHE 27 CE2 0.0143 0.0132 -0.0144 192 PHE 27 CZ 0.0121 0.0147 -0.0149 193 TYR 28 N 0.0091 0.0032 -0.0071 194 TYR 28 CA 0.0090 0.0020 -0.0058 195 TYR 28 C 0.0086 0.0008 -0.0045 196 TYR 28 O 0.0079 -0.0001 -0.0033 197 TYR 28 CB 0.0074 0.0025 -0.0057 198 TYR 28 CG 0.0080 0.0036 -0.0070 199 TYR 28 CD1 0.0094 0.0031 -0.0070 200 TYR 28 CD2 0.0073 0.0051 -0.0081 201 TYR 28 CE1 0.0101 0.0041 -0.0083 202 TYR 28 CE2 0.0079 0.0061 -0.0094 203 TYR 28 CZ 0.0093 0.0056 -0.0095 204 TYR 28 OH 0.0100 0.0066 -0.0107 205 ARG 29 N 0.0093 0.0001 -0.0049 206 ARG 29 CA 0.0091 -0.0017 -0.0032 207 ARG 29 C 0.0108 -0.0038 -0.0021 208 ARG 29 O 0.0131 -0.0041 -0.0029 209 ARG 29 CB 0.0097 -0.0015 -0.0037 210 ARG 29 CG 0.0089 -0.0031 -0.0019 211 ARG 29 CD 0.0095 -0.0030 -0.0023 212 ARG 29 NE 0.0085 -0.0008 -0.0038 213 ARG 29 CZ 0.0061 0.0001 -0.0035 214 ARG 29 NH1 0.0043 -0.0010 -0.0017 215 ARG 29 NH2 0.0054 0.0021 -0.0049 216 ASN 30 N 0.0095 -0.0053 -0.0009 217 ASN 30 CA 0.0105 -0.0071 0.0002 218 ASN 30 C 0.0116 -0.0069 -0.0007 219 ASN 30 O 0.0134 -0.0081 -0.0005 220 ASN 30 CB 0.0122 -0.0088 0.0009 221 ASN 30 CG 0.0108 -0.0094 0.0023 222 ASN 30 OD1 0.0107 -0.0091 0.0020 223 ASN 30 ND2 0.0095 -0.0105 0.0041 224 ARG 31 N 0.0106 -0.0050 -0.0011 225 ARG 31 CA 0.0114 -0.0047 -0.0017 226 ARG 31 C 0.0091 -0.0046 -0.0009 227 ARG 31 O 0.0069 -0.0042 -0.0004 228 ARG 31 CB 0.0122 -0.0027 -0.0039 229 ARG 31 CG 0.0146 -0.0028 -0.0049 230 ARG 31 CD 0.0158 -0.0010 -0.0070 231 ARG 31 NE 0.0178 -0.0011 -0.0078 232 ARG 31 CZ 0.0202 -0.0023 -0.0076 233 ARG 31 NH1 0.0210 -0.0035 -0.0068 234 ARG 31 NH2 0.0218 -0.0023 -0.0083 235 GLU 32 N 0.0083 -0.0043 -0.0021 236 GLU 32 CA 0.0071 -0.0038 -0.0016 237 GLU 32 C 0.0067 -0.0019 -0.0027 238 GLU 32 O 0.0078 -0.0012 -0.0040 239 GLU 32 CB 0.0079 -0.0048 -0.0013 240 GLU 32 CG 0.0083 -0.0068 -0.0002 241 GLU 32 CD 0.0069 -0.0075 0.0013 242 GLU 32 OE1 0.0063 -0.0082 0.0023 243 GLU 32 OE2 0.0064 -0.0072 0.0015 244 VAL 33 N 0.0050 -0.0017 -0.0034 245 VAL 33 CA 0.0046 -0.0002 -0.0041 246 VAL 33 C 0.0036 0.0000 -0.0037 247 VAL 33 O 0.0029 -0.0009 -0.0028 248 VAL 33 CB 0.0037 0.0010 -0.0043 249 VAL 33 CG1 0.0046 0.0008 -0.0047 250 VAL 33 CG2 0.0021 0.0007 -0.0034 251 VAL 34 N 0.0032 0.0011 -0.0055 252 VAL 34 CA 0.0025 0.0014 -0.0054 253 VAL 34 C 0.0017 0.0023 -0.0057 254 VAL 34 O 0.0020 0.0029 -0.0064 255 VAL 34 CB 0.0030 0.0015 -0.0057 256 VAL 34 CG1 0.0022 0.0018 -0.0055 257 VAL 34 CG2 0.0038 0.0006 -0.0054 258 VAL 35 N 0.0011 0.0021 -0.0063 259 VAL 35 CA 0.0007 0.0034 -0.0058 260 VAL 35 C 0.0014 0.0037 -0.0061 261 VAL 35 O 0.0015 0.0028 -0.0063 262 VAL 35 CB -0.0008 0.0033 -0.0050 263 VAL 35 CG1 -0.0011 0.0047 -0.0045 264 VAL 35 CG2 -0.0015 0.0031 -0.0047 265 VAL 36 N 0.0029 0.0052 -0.0092 266 VAL 36 CA 0.0036 0.0055 -0.0094 267 VAL 36 C 0.0040 0.0058 -0.0088 268 VAL 36 O 0.0040 0.0059 -0.0081 269 VAL 36 CB 0.0038 0.0056 -0.0096 270 VAL 36 CG1 0.0046 0.0059 -0.0101 271 VAL 36 CG2 0.0033 0.0052 -0.0099 272 GLY 37 N 0.0053 0.0041 -0.0093 273 GLY 37 CA 0.0061 0.0058 -0.0076 274 GLY 37 C 0.0047 0.0052 -0.0073 275 GLY 37 O 0.0025 0.0038 -0.0075 276 LEU 38 N 0.0032 0.0071 -0.0084 277 LEU 38 CA 0.0026 0.0073 -0.0062 278 LEU 38 C 0.0016 0.0085 -0.0066 279 LEU 38 O 0.0003 0.0101 -0.0071 280 LEU 38 CB 0.0016 0.0081 -0.0049 281 LEU 38 CG 0.0007 0.0086 -0.0025 282 LEU 38 CD1 0.0018 0.0070 -0.0009 283 LEU 38 CD2 -0.0001 0.0093 -0.0014 284 ASN 39 N 0.0035 0.0052 -0.0088 285 ASN 39 CA 0.0030 0.0075 -0.0060 286 ASN 39 C -0.0012 0.0074 -0.0049 287 ASN 39 O -0.0031 0.0058 -0.0063 288 ASN 39 CB 0.0054 0.0099 -0.0039 289 ASN 39 CG 0.0050 0.0099 -0.0038 290 ASN 39 OD1 0.0020 0.0098 -0.0030 291 ASN 39 ND2 0.0082 0.0098 -0.0047 292 PRO 40 N -0.0079 0.0111 -0.0011 293 PRO 40 CA -0.0131 0.0120 -0.0006 294 PRO 40 C -0.0119 0.0141 -0.0001 295 PRO 40 O -0.0147 0.0120 -0.0005 296 PRO 40 CB -0.0168 0.0162 0.0007 297 PRO 40 CG -0.0152 0.0149 0.0003 298 PRO 40 CD -0.0087 0.0136 -0.0004 299 GLU 41 N -0.0079 0.0138 0.0003 300 GLU 41 CA -0.0086 0.0151 0.0015 301 GLU 41 C -0.0087 0.0124 -0.0008 302 GLU 41 O -0.0118 0.0122 -0.0010 303 GLU 41 CB -0.0049 0.0177 0.0037 304 GLU 41 CG -0.0057 0.0199 0.0056 305 GLU 41 CD -0.0017 0.0222 0.0075 306 GLU 41 OE1 0.0019 0.0218 0.0070 307 GLU 41 OE2 -0.0022 0.0244 0.0094 308 ALA 42 N -0.0052 0.0107 -0.0024 309 ALA 42 CA -0.0045 0.0086 -0.0032 310 ALA 42 C -0.0067 0.0069 -0.0037 311 ALA 42 O -0.0070 0.0061 -0.0040 312 ALA 42 CB -0.0025 0.0073 -0.0038 313 VAL 43 N -0.0089 0.0087 -0.0015 314 VAL 43 CA -0.0114 0.0063 -0.0004 315 VAL 43 C -0.0129 0.0065 0.0004 316 VAL 43 O -0.0132 0.0040 0.0003 317 VAL 43 CB -0.0137 0.0068 0.0008 318 VAL 43 CG1 -0.0165 0.0046 0.0021 319 VAL 43 CG2 -0.0123 0.0059 0.0000 320 GLU 44 N -0.0144 0.0083 -0.0002 321 GLU 44 CA -0.0159 0.0094 0.0003 322 GLU 44 C -0.0139 0.0093 -0.0003 323 GLU 44 O -0.0149 0.0081 -0.0000 324 GLU 44 CB -0.0173 0.0128 0.0009 325 GLU 44 CG -0.0199 0.0125 0.0017 326 GLU 44 CD -0.0211 0.0157 0.0022 327 GLU 44 OE1 -0.0219 0.0178 0.0026 328 GLU 44 OE2 -0.0213 0.0161 0.0023 329 GLU 45 N -0.0113 0.0092 -0.0016 330 GLU 45 CA -0.0098 0.0088 -0.0023 331 GLU 45 C -0.0091 0.0070 -0.0019 332 GLU 45 O -0.0084 0.0063 -0.0021 333 GLU 45 CB -0.0086 0.0099 -0.0032 334 GLU 45 CG -0.0090 0.0117 -0.0036 335 GLU 45 CD -0.0086 0.0121 -0.0040 336 GLU 45 OE1 -0.0073 0.0126 -0.0048 337 GLU 45 OE2 -0.0095 0.0118 -0.0034 338 ALA 46 N -0.0084 0.0063 -0.0012 339 ALA 46 CA -0.0081 0.0040 -0.0009 340 ALA 46 C -0.0095 0.0030 -0.0001 341 ALA 46 O -0.0090 0.0015 -0.0001 342 ALA 46 CB -0.0082 0.0032 -0.0007 343 GLN 47 N -0.0123 0.0038 0.0006 344 GLN 47 CA -0.0139 0.0027 0.0019 345 GLN 47 C -0.0131 0.0032 0.0012 346 GLN 47 O -0.0138 0.0018 0.0021 347 GLN 47 CB -0.0168 0.0040 0.0031 348 GLN 47 CG -0.0181 0.0035 0.0040 349 GLN 47 CD -0.0211 0.0038 0.0057 350 GLN 47 OE1 -0.0219 0.0017 0.0069 351 GLN 47 NE2 -0.0226 0.0062 0.0057 352 VAL 48 N -0.0111 0.0061 -0.0007 353 VAL 48 CA -0.0096 0.0066 -0.0015 354 VAL 48 C -0.0075 0.0049 -0.0014 355 VAL 48 O -0.0069 0.0041 -0.0012 356 VAL 48 CB -0.0091 0.0089 -0.0029 357 VAL 48 CG1 -0.0074 0.0093 -0.0038 358 VAL 48 CG2 -0.0113 0.0105 -0.0030 359 LEU 49 N -0.0063 0.0039 -0.0019 360 LEU 49 CA -0.0043 0.0025 -0.0019 361 LEU 49 C -0.0044 0.0003 -0.0006 362 LEU 49 O -0.0028 -0.0008 -0.0006 363 LEU 49 CB -0.0033 0.0026 -0.0023 364 LEU 49 CG -0.0026 0.0047 -0.0038 365 LEU 49 CD1 -0.0021 0.0049 -0.0041 366 LEU 49 CD2 -0.0007 0.0050 -0.0047 367 THR 50 N -0.0070 -0.0001 0.0011 368 THR 50 CA -0.0074 -0.0026 0.0026 369 THR 50 C -0.0074 -0.0030 0.0028 370 THR 50 O -0.0073 -0.0051 0.0039 371 THR 50 CB -0.0100 -0.0033 0.0039 372 THR 50 OG1 -0.0122 -0.0015 0.0037 373 THR 50 CG2 -0.0100 -0.0034 0.0040 374 LYS 51 N -0.0073 -0.0012 0.0015 375 LYS 51 CA -0.0072 -0.0011 0.0015 376 LYS 51 C -0.0043 -0.0014 0.0008 377 LYS 51 O -0.0038 -0.0015 0.0007 378 LYS 51 CB -0.0087 0.0016 0.0006 379 LYS 51 CG -0.0117 0.0020 0.0012 380 LYS 51 CD -0.0130 0.0049 0.0001 381 LYS 51 CE -0.0161 0.0053 0.0008 382 LYS 51 NZ -0.0166 0.0068 0.0002 383 PHE 52 N -0.0016 -0.0009 -0.0003 384 PHE 52 CA 0.0010 -0.0011 -0.0010 385 PHE 52 C 0.0025 -0.0029 -0.0002 386 PHE 52 O 0.0041 -0.0042 0.0002 387 PHE 52 CB 0.0019 0.0010 -0.0027 388 PHE 52 CG 0.0005 0.0029 -0.0035 389 PHE 52 CD1 0.0009 0.0031 -0.0037 390 PHE 52 CD2 -0.0011 0.0045 -0.0041 391 PHE 52 CE1 -0.0004 0.0048 -0.0045 392 PHE 52 CE2 -0.0023 0.0063 -0.0050 393 PHE 52 CZ -0.0020 0.0064 -0.0051 394 ALA 53 N 0.0015 -0.0028 -0.0004 395 ALA 53 CA 0.0028 -0.0041 -0.0001 396 ALA 53 C 0.0027 -0.0065 0.0016 397 ALA 53 O 0.0009 -0.0072 0.0028 398 ALA 53 CB 0.0020 -0.0030 -0.0004 399 SER 54 N 0.0046 -0.0072 0.0016 400 SER 54 CA 0.0048 -0.0098 0.0029 401 SER 54 C 0.0032 -0.0108 0.0037 402 SER 54 O 0.0018 -0.0124 0.0047 403 SER 54 CB 0.0077 -0.0108 0.0031 404 SER 54 OG 0.0092 -0.0103 0.0026 405 THR 55 N 0.0027 -0.0095 0.0016 406 THR 55 CA 0.0017 -0.0092 0.0020 407 THR 55 C 0.0014 -0.0067 0.0011 408 THR 55 O 0.0028 -0.0056 -0.0002 409 THR 55 CB 0.0029 -0.0104 0.0018 410 THR 55 OG1 0.0033 -0.0128 0.0026 411 THR 55 CG2 0.0017 -0.0099 0.0023 412 VAL 56 N -0.0004 -0.0064 0.0003 413 VAL 56 CA -0.0006 -0.0044 -0.0002 414 VAL 56 C -0.0006 -0.0047 -0.0001 415 VAL 56 O -0.0019 -0.0052 0.0008 416 VAL 56 CB -0.0024 -0.0032 0.0003 417 VAL 56 CG1 -0.0026 -0.0011 -0.0003 418 VAL 56 CG2 -0.0024 -0.0029 0.0002 419 HIS 57 N 0.0016 -0.0027 -0.0022 420 HIS 57 CA 0.0015 -0.0028 -0.0021 421 HIS 57 C 0.0007 -0.0017 -0.0024 422 HIS 57 O 0.0010 -0.0009 -0.0031 423 HIS 57 CB 0.0026 -0.0030 -0.0025 424 HIS 57 CG 0.0034 -0.0040 -0.0022 425 HIS 57 ND1 0.0032 -0.0050 -0.0015 426 HIS 57 CD2 0.0043 -0.0042 -0.0026 427 HIS 57 CE1 0.0040 -0.0057 -0.0015 428 HIS 57 NE2 0.0047 -0.0053 -0.0021 429 TRP 58 N 0.0015 -0.0019 -0.0023 430 TRP 58 CA 0.0005 -0.0004 -0.0026 431 TRP 58 C 0.0004 -0.0000 -0.0027 432 TRP 58 O -0.0000 -0.0008 -0.0019 433 TRP 58 CB -0.0010 -0.0002 -0.0015 434 TRP 58 CG -0.0021 0.0014 -0.0018 435 TRP 58 CD1 -0.0018 0.0027 -0.0029 436 TRP 58 CD2 -0.0036 0.0017 -0.0009 437 TRP 58 NE1 -0.0030 0.0038 -0.0027 438 TRP 58 CE2 -0.0042 0.0033 -0.0015 439 TRP 58 CE3 -0.0044 0.0009 0.0004 440 TRP 58 CZ2 -0.0056 0.0041 -0.0009 441 TRP 58 CZ3 -0.0059 0.0017 0.0010 442 TRP 58 CH2 -0.0065 0.0032 0.0003 443 ILE 59 N 0.0018 0.0032 -0.0047 444 ILE 59 CA 0.0019 0.0035 -0.0049 445 ILE 59 C 0.0019 0.0040 -0.0047 446 ILE 59 O 0.0019 0.0043 -0.0046 447 ILE 59 CB 0.0022 0.0035 -0.0054 448 ILE 59 CG1 0.0022 0.0030 -0.0057 449 ILE 59 CG2 0.0024 0.0039 -0.0057 450 ILE 59 CD1 0.0024 0.0030 -0.0061 451 THR 60 N 0.0012 0.0047 -0.0039 452 THR 60 CA 0.0003 0.0060 -0.0035 453 THR 60 C 0.0002 0.0068 -0.0038 454 THR 60 O 0.0005 0.0061 -0.0038 455 THR 60 CB -0.0006 0.0059 -0.0019 456 THR 60 OG1 -0.0007 0.0050 -0.0011 457 THR 60 CG2 -0.0004 0.0050 -0.0015 458 PRO 61 N -0.0001 0.0085 -0.0038 459 PRO 61 CA -0.0004 0.0095 -0.0042 460 PRO 61 C -0.0010 0.0100 -0.0029 461 PRO 61 O -0.0014 0.0107 -0.0031 462 PRO 61 CB -0.0007 0.0106 -0.0051 463 PRO 61 CG -0.0009 0.0105 -0.0045 464 PRO 61 CD -0.0003 0.0091 -0.0041 465 LYS 62 N -0.0011 0.0100 -0.0022 466 LYS 62 CA -0.0029 0.0098 -0.0001 467 LYS 62 C -0.0037 0.0078 0.0017 468 LYS 62 O -0.0029 0.0070 0.0012 469 LYS 62 CB -0.0046 0.0126 0.0003 470 LYS 62 CG -0.0057 0.0140 0.0008 471 LYS 62 CD -0.0073 0.0169 0.0010 472 LYS 62 CE -0.0063 0.0191 -0.0012 473 LYS 62 NZ -0.0080 0.0219 -0.0008 474 ASP 63 N -0.0054 0.0066 0.0022 475 ASP 63 CA -0.0072 0.0049 0.0038 476 ASP 63 C -0.0088 0.0065 0.0050 477 ASP 63 O -0.0094 0.0092 0.0054 478 ASP 63 CB -0.0086 0.0038 0.0050 479 ASP 63 CG -0.0109 0.0024 0.0070 480 ASP 63 OD1 -0.0125 0.0043 0.0082 481 ASP 63 OD2 -0.0111 -0.0003 0.0073 482 PRO 64 N -0.0090 0.0040 0.0052 483 PRO 64 CA -0.0100 0.0055 0.0054 484 PRO 64 C -0.0127 0.0060 0.0076 485 PRO 64 O -0.0137 0.0077 0.0078 486 PRO 64 CB -0.0086 0.0035 0.0051 487 PRO 64 CG -0.0066 0.0012 0.0043 488 PRO 64 CD -0.0075 0.0009 0.0052 489 HIS 65 N -0.0174 0.0043 0.0109 490 HIS 65 CA -0.0206 0.0047 0.0127 491 HIS 65 C -0.0209 0.0082 0.0129 492 HIS 65 O -0.0234 0.0095 0.0144 493 HIS 65 CB -0.0219 0.0014 0.0134 494 HIS 65 CG -0.0220 -0.0019 0.0135 495 HIS 65 ND1 -0.0198 -0.0046 0.0122 496 HIS 65 CD2 -0.0240 -0.0029 0.0146 497 HIS 65 CE1 -0.0205 -0.0071 0.0126 498 HIS 65 NE2 -0.0231 -0.0063 0.0141 499 THR 66 N -0.0180 0.0097 0.0108 500 THR 66 CA -0.0185 0.0142 0.0100 501 THR 66 C -0.0200 0.0174 0.0101 502 THR 66 O -0.0217 0.0209 0.0103 503 THR 66 CB -0.0150 0.0156 0.0074 504 THR 66 OG1 -0.0119 0.0149 0.0056 505 THR 66 CG2 -0.0138 0.0134 0.0072 506 LEU 67 N -0.0187 0.0131 0.0096 507 LEU 67 CA -0.0199 0.0147 0.0104 508 LEU 67 C -0.0227 0.0134 0.0137 509 LEU 67 O -0.0237 0.0137 0.0146 510 LEU 67 CB -0.0178 0.0135 0.0085 511 LEU 67 CG -0.0153 0.0158 0.0052 512 LEU 67 CD1 -0.0138 0.0146 0.0039 513 LEU 67 CD2 -0.0164 0.0203 0.0050 514 ASP 68 N -0.0264 0.0151 0.0138 515 ASP 68 CA -0.0326 0.0142 0.0190 516 ASP 68 C -0.0327 0.0117 0.0208 517 ASP 68 O -0.0362 0.0152 0.0210 518 ASP 68 CB -0.0386 0.0205 0.0191 519 ASP 68 CG -0.0449 0.0187 0.0251 520 ASP 68 OD1 -0.0492 0.0208 0.0268 521 ASP 68 OD2 -0.0454 0.0151 0.0279 522 GLY 69 N -0.0309 0.0085 0.0192 523 GLY 69 CA -0.0317 0.0065 0.0205 524 GLY 69 C -0.0301 0.0073 0.0189 525 GLY 69 O -0.0300 0.0052 0.0196 526 HIS 70 N -0.0270 0.0100 0.0161 527 HIS 70 CA -0.0256 0.0093 0.0139 528 HIS 70 C -0.0235 0.0070 0.0130 529 HIS 70 O -0.0221 0.0054 0.0124 530 HIS 70 CB -0.0261 0.0117 0.0113 531 HIS 70 CG -0.0254 0.0118 0.0094 532 HIS 70 ND1 -0.0236 0.0106 0.0072 533 HIS 70 CD2 -0.0264 0.0130 0.0096 534 HIS 70 CE1 -0.0234 0.0110 0.0060 535 HIS 70 NE2 -0.0250 0.0125 0.0074 536 ALA 71 N -0.0229 0.0064 0.0124 537 ALA 71 CA -0.0209 0.0040 0.0112 538 ALA 71 C -0.0220 0.0005 0.0120 539 ALA 71 O -0.0205 -0.0018 0.0111 540 ALA 71 CB -0.0183 0.0040 0.0096 541 ASP 72 N -0.0262 0.0011 0.0146 542 ASP 72 CA -0.0273 -0.0026 0.0159 543 ASP 72 C -0.0270 -0.0048 0.0160 544 ASP 72 O -0.0260 -0.0081 0.0159 545 ASP 72 CB -0.0308 -0.0024 0.0181 546 ASP 72 CG -0.0312 -0.0014 0.0182 547 ASP 72 OD1 -0.0288 -0.0003 0.0165 548 ASP 72 OD2 -0.0340 -0.0015 0.0200 549 GLU 73 N -0.0278 -0.0024 0.0151 550 GLU 73 CA -0.0281 -0.0039 0.0153 551 GLU 73 C -0.0251 -0.0051 0.0133 552 GLU 73 O -0.0248 -0.0080 0.0129 553 GLU 73 CB -0.0296 -0.0012 0.0164 554 GLU 73 CG -0.0305 -0.0027 0.0168 555 GLU 73 CD -0.0319 0.0001 0.0179 556 GLU 73 OE1 -0.0323 0.0032 0.0184 557 GLU 73 OE2 -0.0326 -0.0009 0.0183 558 LEU 74 N -0.0215 -0.0030 0.0105 559 LEU 74 CA -0.0185 -0.0037 0.0087 560 LEU 74 C -0.0173 -0.0067 0.0087 561 LEU 74 O -0.0156 -0.0089 0.0082 562 LEU 74 CB -0.0172 -0.0007 0.0071 563 LEU 74 CG -0.0139 -0.0012 0.0051 564 LEU 74 CD1 -0.0126 -0.0018 0.0044 565 LEU 74 CD2 -0.0129 0.0019 0.0036 566 LEU 75 N -0.0185 -0.0058 0.0108 567 LEU 75 CA -0.0174 -0.0086 0.0101 568 LEU 75 C -0.0190 -0.0118 0.0109 569 LEU 75 O -0.0180 -0.0145 0.0102 570 LEU 75 CB -0.0174 -0.0079 0.0101 571 LEU 75 CG -0.0152 -0.0053 0.0089 572 LEU 75 CD1 -0.0158 -0.0041 0.0093 573 LEU 75 CD2 -0.0122 -0.0066 0.0070 574 ALA 76 N -0.0227 -0.0123 0.0128 575 ALA 76 CA -0.0247 -0.0152 0.0133 576 ALA 76 C -0.0233 -0.0156 0.0130 577 ALA 76 O -0.0243 -0.0183 0.0132 578 ALA 76 CB -0.0288 -0.0142 0.0145 579 HIS 77 N -0.0198 -0.0120 0.0121 580 HIS 77 CA -0.0177 -0.0124 0.0114 581 HIS 77 C -0.0153 -0.0145 0.0115 582 HIS 77 O -0.0142 -0.0144 0.0110 583 HIS 77 CB -0.0167 -0.0098 0.0098 584 HIS 77 CG -0.0154 -0.0097 0.0093 585 HIS 77 ND1 -0.0128 -0.0111 0.0089 586 HIS 77 CD2 -0.0163 -0.0086 0.0091 587 HIS 77 CE1 -0.0123 -0.0108 0.0086 588 HIS 77 NE2 -0.0143 -0.0094 0.0087 589 PRO 78 N -0.0152 -0.0167 0.0120 590 PRO 78 CA -0.0131 -0.0192 0.0115 591 PRO 78 C -0.0102 -0.0184 0.0098 592 PRO 78 O -0.0083 -0.0201 0.0093 593 PRO 78 CB -0.0136 -0.0216 0.0124 594 PRO 78 CG -0.0165 -0.0208 0.0137 595 PRO 78 CD -0.0169 -0.0174 0.0130 596 SER 79 N -0.0090 -0.0142 0.0090 597 SER 79 CA -0.0059 -0.0131 0.0068 598 SER 79 C -0.0057 -0.0114 0.0060 599 SER 79 O -0.0030 -0.0108 0.0043 600 SER 79 CB -0.0053 -0.0106 0.0054 601 SER 79 OG -0.0054 -0.0120 0.0061 602 VAL 80 N -0.0072 -0.0113 0.0057 603 VAL 80 CA -0.0068 -0.0099 0.0051 604 VAL 80 C -0.0060 -0.0112 0.0049 605 VAL 80 O -0.0068 -0.0128 0.0058 606 VAL 80 CB -0.0086 -0.0081 0.0058 607 VAL 80 CG1 -0.0082 -0.0067 0.0053 608 VAL 80 CG2 -0.0090 -0.0065 0.0057 609 LYS 81 N -0.0025 -0.0082 0.0031 610 LYS 81 CA -0.0022 -0.0084 0.0028 611 LYS 81 C -0.0025 -0.0063 0.0023 612 LYS 81 O -0.0019 -0.0052 0.0012 613 LYS 81 CB -0.0007 -0.0095 0.0016 614 LYS 81 CG -0.0004 -0.0117 0.0021 615 LYS 81 CD 0.0010 -0.0128 0.0011 616 LYS 81 CE 0.0013 -0.0150 0.0017 617 LYS 81 NZ 0.0017 -0.0157 0.0015 618 LEU 82 N -0.0018 -0.0059 0.0017 619 LEU 82 CA -0.0020 -0.0043 0.0014 620 LEU 82 C -0.0012 -0.0043 0.0005 621 LEU 82 O -0.0011 -0.0053 0.0008 622 LEU 82 CB -0.0033 -0.0038 0.0026 623 LEU 82 CG -0.0036 -0.0022 0.0024 624 LEU 82 CD1 -0.0036 -0.0007 0.0018 625 LEU 82 CD2 -0.0049 -0.0020 0.0036 626 TRP 83 N 0.0011 -0.0005 -0.0008 627 TRP 83 CA 0.0006 0.0003 -0.0017 628 TRP 83 C 0.0002 0.0014 -0.0017 629 TRP 83 O -0.0001 0.0015 -0.0025 630 TRP 83 CB 0.0005 -0.0004 -0.0029 631 TRP 83 CG 0.0010 -0.0015 -0.0030 632 TRP 83 CD1 0.0014 -0.0026 -0.0029 633 TRP 83 CD2 0.0010 -0.0016 -0.0030 634 TRP 83 NE1 0.0017 -0.0034 -0.0029 635 TRP 83 CE2 0.0015 -0.0028 -0.0029 636 TRP 83 CE3 0.0007 -0.0008 -0.0031 637 TRP 83 CZ2 0.0016 -0.0032 -0.0029 638 TRP 83 CZ3 0.0008 -0.0012 -0.0031 639 TRP 83 CH2 0.0013 -0.0024 -0.0030 640 GLU 84 N -0.0002 0.0016 -0.0009 641 GLU 84 CA -0.0013 0.0034 -0.0007 642 GLU 84 C -0.0005 0.0041 -0.0018 643 GLU 84 O 0.0005 0.0028 -0.0021 644 GLU 84 CB -0.0030 0.0031 0.0010 645 GLU 84 CG -0.0029 0.0014 0.0017 646 GLU 84 CD -0.0046 0.0015 0.0032 647 GLU 84 OE1 -0.0059 0.0026 0.0039 648 GLU 84 OE2 -0.0045 0.0007 0.0035 649 LYS 85 N -0.0007 0.0071 -0.0029 650 LYS 85 CA -0.0000 0.0079 -0.0038 651 LYS 85 C 0.0009 0.0074 -0.0051 652 LYS 85 O 0.0014 0.0074 -0.0059 653 LYS 85 CB -0.0002 0.0079 -0.0036 654 LYS 85 CG -0.0011 0.0084 -0.0024 655 LYS 85 CD -0.0011 0.0089 -0.0024 656 LYS 85 CE -0.0019 0.0084 -0.0012 657 LYS 85 NZ -0.0017 0.0069 -0.0014 658 THR 86 N 0.0006 0.0065 -0.0042 659 THR 86 CA 0.0006 0.0061 -0.0052 660 THR 86 C 0.0006 0.0061 -0.0055 661 THR 86 O 0.0006 0.0062 -0.0049 662 THR 86 CB 0.0006 0.0051 -0.0053 663 THR 86 OG1 0.0006 0.0044 -0.0049 664 THR 86 CG2 0.0006 0.0050 -0.0049 665 ARG 87 N -0.0008 0.0060 -0.0045 666 ARG 87 CA -0.0009 0.0055 -0.0039 667 ARG 87 C -0.0022 0.0047 -0.0041 668 ARG 87 O -0.0029 0.0048 -0.0052 669 ARG 87 CB -0.0004 0.0061 -0.0043 670 ARG 87 CG 0.0000 0.0058 -0.0033 671 ARG 87 CD -0.0002 0.0059 -0.0037 672 ARG 87 NE 0.0007 0.0069 -0.0044 673 ARG 87 CZ 0.0016 0.0073 -0.0039 674 ARG 87 NH1 0.0020 0.0069 -0.0028 675 ARG 87 NH2 0.0023 0.0082 -0.0047 676 LEU 88 N -0.0030 0.0041 -0.0039 677 LEU 88 CA -0.0029 0.0042 -0.0038 678 LEU 88 C -0.0039 0.0037 -0.0035 679 LEU 88 O -0.0044 0.0029 -0.0039 680 LEU 88 CB -0.0021 0.0039 -0.0047 681 LEU 88 CG -0.0020 0.0040 -0.0047 682 LEU 88 CD1 -0.0018 0.0049 -0.0040 683 LEU 88 CD2 -0.0011 0.0037 -0.0056 684 ILE 89 N -0.0053 0.0033 -0.0040 685 ILE 89 CA -0.0061 0.0031 -0.0039 686 ILE 89 C -0.0070 0.0023 -0.0034 687 ILE 89 O -0.0074 0.0017 -0.0030 688 ILE 89 CB -0.0067 0.0041 -0.0045 689 ILE 89 CG1 -0.0059 0.0050 -0.0051 690 ILE 89 CG2 -0.0076 0.0039 -0.0044 691 ILE 89 CD1 -0.0050 0.0048 -0.0049 692 ARG 90 N -0.0057 0.0025 -0.0028 693 ARG 90 CA -0.0057 0.0020 -0.0032 694 ARG 90 C -0.0045 0.0018 -0.0033 695 ARG 90 O -0.0038 0.0024 -0.0027 696 ARG 90 CB -0.0064 0.0024 -0.0029 697 ARG 90 CG -0.0066 0.0019 -0.0033 698 ARG 90 CD -0.0076 0.0024 -0.0030 699 ARG 90 NE -0.0087 0.0023 -0.0031 700 ARG 90 CZ -0.0093 0.0029 -0.0026 701 ARG 90 NH1 -0.0090 0.0037 -0.0019 702 ARG 90 NH2 -0.0101 0.0027 -0.0028 703 ILE 91 N -0.0031 0.0020 -0.0019 704 ILE 91 CA -0.0019 0.0020 -0.0021 705 ILE 91 C -0.0012 0.0021 -0.0021 706 ILE 91 O -0.0015 0.0020 -0.0026 707 ILE 91 CB -0.0018 0.0020 -0.0033 708 ILE 91 CG1 -0.0026 0.0020 -0.0033 709 ILE 91 CG2 -0.0005 0.0020 -0.0036 710 ILE 91 CD1 -0.0028 0.0019 -0.0045 711 LYS 92 N 0.0013 0.0015 -0.0018 712 LYS 92 CA 0.0015 0.0012 -0.0021 713 LYS 92 C 0.0022 0.0006 -0.0022 714 LYS 92 O 0.0027 0.0005 -0.0018 715 LYS 92 CB 0.0015 0.0015 -0.0014 716 LYS 92 CG 0.0008 0.0021 -0.0013 717 LYS 92 CD 0.0008 0.0023 -0.0006 718 LYS 92 CE 0.0004 0.0026 -0.0007 719 LYS 92 NZ -0.0003 0.0031 -0.0007 720 GLY 93 N 0.0053 0.0020 0.0016 721 GLY 93 CA 0.0076 0.0049 0.0005 722 GLY 93 C 0.0099 0.0064 0.0025 723 GLY 93 O 0.0100 0.0053 0.0054 724 GLU 94 N 0.0126 0.0076 0.0039 725 GLU 94 CA 0.0146 0.0099 0.0058 726 GLU 94 C 0.0148 0.0117 0.0037 727 GLU 94 O 0.0134 0.0109 0.0010 728 GLU 94 CB 0.0161 0.0123 0.0065 729 GLU 94 CG 0.0160 0.0108 0.0085 730 GLU 94 CD 0.0176 0.0134 0.0089 731 GLU 94 OE1 0.0185 0.0132 0.0117 732 GLU 94 OE2 0.0178 0.0154 0.0063 733 GLU 95 N 0.0194 0.0128 0.0046 734 GLU 95 CA 0.0187 0.0179 0.0060 735 GLU 95 C 0.0144 0.0208 0.0015 736 GLU 95 O 0.0133 0.0220 0.0006 737 GLU 95 CB 0.0202 0.0228 0.0101 738 GLU 95 CG 0.0201 0.0281 0.0122 739 GLU 95 CD 0.0237 0.0266 0.0163 740 GLU 95 OE1 0.0270 0.0255 0.0203 741 GLU 95 OE2 0.0231 0.0263 0.0155 742 ALA 96 N 0.0146 0.0203 0.0018 743 ALA 96 CA 0.0139 0.0216 -0.0014 744 ALA 96 C 0.0124 0.0192 -0.0039 745 ALA 96 O 0.0117 0.0200 -0.0065 746 ALA 96 CB 0.0142 0.0229 -0.0014 747 GLY 97 N 0.0108 0.0140 -0.0032 748 GLY 97 CA 0.0096 0.0111 -0.0057 749 GLY 97 C 0.0092 0.0079 -0.0053 750 GLY 97 O 0.0100 0.0075 -0.0025 751 VAL 98 N 0.0073 0.0063 -0.0059 752 VAL 98 CA 0.0066 0.0049 -0.0054 753 VAL 98 C 0.0070 0.0046 -0.0047 754 VAL 98 O 0.0071 0.0052 -0.0052 755 VAL 98 CB 0.0052 0.0045 -0.0063 756 VAL 98 CG1 0.0045 0.0030 -0.0057 757 VAL 98 CG2 0.0048 0.0047 -0.0068 758 THR 99 N 0.0064 0.0028 -0.0036 759 THR 99 CA 0.0067 0.0026 -0.0030 760 THR 99 C 0.0059 0.0013 -0.0028 761 THR 99 O 0.0058 0.0011 -0.0027 762 THR 99 CB 0.0078 0.0027 -0.0017 763 THR 99 OG1 0.0078 0.0019 -0.0009 764 THR 99 CG2 0.0087 0.0041 -0.0018 765 ALA 100 N 0.0039 0.0011 -0.0030 766 ALA 100 CA 0.0032 0.0010 -0.0024 767 ALA 100 C 0.0024 0.0012 -0.0027 768 ALA 100 O 0.0024 0.0015 -0.0034 769 ALA 100 CB 0.0034 0.0007 -0.0018 770 VAL 101 N 0.0008 0.0018 -0.0035 771 VAL 101 CA 0.0003 0.0018 -0.0036 772 VAL 101 C -0.0000 0.0020 -0.0031 773 VAL 101 O 0.0002 0.0022 -0.0027 774 VAL 101 CB 0.0004 0.0017 -0.0038 775 VAL 101 CG1 0.0007 0.0014 -0.0043 776 VAL 101 CG2 0.0007 0.0019 -0.0034 777 GLU 102 N -0.0021 0.0024 -0.0041 778 GLU 102 CA -0.0029 0.0036 -0.0037 779 GLU 102 C -0.0028 0.0040 -0.0034 780 GLU 102 O -0.0032 0.0034 -0.0039 781 GLU 102 CB -0.0044 0.0034 -0.0044 782 GLU 102 CG -0.0054 0.0046 -0.0040 783 GLU 102 CD -0.0068 0.0044 -0.0047 784 GLU 102 OE1 -0.0069 0.0034 -0.0054 785 GLU 102 OE2 -0.0078 0.0052 -0.0045 786 VAL 103 N -0.0030 0.0036 -0.0048 787 VAL 103 CA -0.0025 0.0042 -0.0043 788 VAL 103 C -0.0030 0.0056 -0.0042 789 VAL 103 O -0.0035 0.0062 -0.0043 790 VAL 103 CB -0.0012 0.0042 -0.0036 791 VAL 103 CG1 -0.0006 0.0027 -0.0037 792 VAL 103 CG2 -0.0008 0.0049 -0.0031 793 ARG 104 N -0.0036 0.0070 -0.0049 794 ARG 104 CA -0.0039 0.0088 -0.0053 795 ARG 104 C -0.0018 0.0091 -0.0052 796 ARG 104 O -0.0009 0.0075 -0.0049 797 ARG 104 CB -0.0058 0.0084 -0.0053 798 ARG 104 CG -0.0063 0.0101 -0.0056 799 ARG 104 CD -0.0078 0.0094 -0.0055 800 ARG 104 NE -0.0101 0.0092 -0.0056 801 ARG 104 CZ -0.0118 0.0085 -0.0056 802 ARG 104 NH1 -0.0117 0.0076 -0.0054 803 ARG 104 NH2 -0.0138 0.0087 -0.0057 804 HIS 105 N -0.0016 0.0090 -0.0072 805 HIS 105 CA -0.0004 0.0096 -0.0070 806 HIS 105 C 0.0006 0.0101 -0.0071 807 HIS 105 O 0.0004 0.0103 -0.0080 808 HIS 105 CB -0.0003 0.0099 -0.0081 809 HIS 105 CG 0.0004 0.0102 -0.0076 810 HIS 105 ND1 -0.0001 0.0097 -0.0071 811 HIS 105 CD2 0.0016 0.0108 -0.0077 812 HIS 105 CE1 0.0007 0.0101 -0.0068 813 HIS 105 NE2 0.0018 0.0108 -0.0072 814 PRO 106 N 0.0013 0.0098 -0.0074 815 PRO 106 CA 0.0019 0.0102 -0.0075 816 PRO 106 C 0.0021 0.0113 -0.0088 817 PRO 106 O 0.0029 0.0121 -0.0092 818 PRO 106 CB 0.0033 0.0100 -0.0064 819 PRO 106 CG 0.0030 0.0091 -0.0055 820 PRO 106 CD 0.0021 0.0093 -0.0063 821 GLY 107 N 0.0013 0.0111 -0.0080 822 GLY 107 CA 0.0012 0.0128 -0.0093 823 GLY 107 C -0.0009 0.0146 -0.0105 824 GLY 107 O -0.0017 0.0157 -0.0112 825 GLU 108 N -0.0015 0.0148 -0.0100 826 GLU 108 CA -0.0040 0.0172 -0.0116 827 GLU 108 C -0.0070 0.0174 -0.0103 828 GLU 108 O -0.0081 0.0190 -0.0117 829 GLU 108 CB -0.0053 0.0183 -0.0123 830 GLU 108 CG -0.0029 0.0192 -0.0148 831 GLU 108 CD -0.0026 0.0214 -0.0178 832 GLU 108 OE1 -0.0048 0.0226 -0.0180 833 GLU 108 OE2 -0.0003 0.0221 -0.0198 834 SER 109 N -0.0087 0.0166 -0.0079 835 SER 109 CA -0.0129 0.0160 -0.0067 836 SER 109 C -0.0146 0.0173 -0.0065 837 SER 109 O -0.0174 0.0154 -0.0055 838 SER 109 CB -0.0155 0.0177 -0.0063 839 SER 109 OG -0.0193 0.0161 -0.0051 840 ASP 110 N -0.0134 0.0203 -0.0070 841 ASP 110 CA -0.0147 0.0209 -0.0070 842 ASP 110 C -0.0109 0.0176 -0.0071 843 ASP 110 O -0.0061 0.0170 -0.0075 844 ASP 110 CB -0.0145 0.0269 -0.0074 845 ASP 110 CG -0.0194 0.0297 -0.0072 846 ASP 110 OD1 -0.0239 0.0283 -0.0067 847 ASP 110 OD2 -0.0188 0.0333 -0.0075 848 SER 111 N -0.0079 0.0121 -0.0066 849 SER 111 CA -0.0066 0.0096 -0.0058 850 SER 111 C -0.0055 0.0089 -0.0050 851 SER 111 O -0.0063 0.0096 -0.0055 852 SER 111 CB -0.0078 0.0072 -0.0070 853 SER 111 OG -0.0088 0.0075 -0.0078 854 GLN 112 N -0.0018 0.0046 -0.0033 855 GLN 112 CA -0.0014 0.0036 -0.0027 856 GLN 112 C -0.0011 0.0029 -0.0031 857 GLN 112 O -0.0013 0.0032 -0.0032 858 GLN 112 CB -0.0015 0.0038 -0.0014 859 GLN 112 CG -0.0012 0.0029 -0.0007 860 GLN 112 CD -0.0012 0.0029 0.0005 861 GLN 112 OE1 -0.0010 0.0024 0.0007 862 GLN 112 NE2 -0.0013 0.0033 0.0014 863 GLU 113 N -0.0002 0.0017 -0.0018 864 GLU 113 CA 0.0003 0.0016 -0.0024 865 GLU 113 C 0.0008 0.0015 -0.0023 866 GLU 113 O 0.0011 0.0015 -0.0017 867 GLU 113 CB 0.0006 0.0015 -0.0025 868 GLU 113 CG 0.0011 0.0015 -0.0032 869 GLU 113 CD 0.0012 0.0014 -0.0034 870 GLU 113 OE1 0.0007 0.0015 -0.0036 871 GLU 113 OE2 0.0019 0.0013 -0.0034 872 LEU 114 N 0.0022 -0.0007 -0.0018 873 LEU 114 CA 0.0023 -0.0007 -0.0019 874 LEU 114 C 0.0026 -0.0006 -0.0021 875 LEU 114 O 0.0025 -0.0005 -0.0024 876 LEU 114 CB 0.0020 -0.0006 -0.0020 877 LEU 114 CG 0.0017 -0.0008 -0.0017 878 LEU 114 CD1 0.0014 -0.0007 -0.0019 879 LEU 114 CD2 0.0019 -0.0009 -0.0014 880 LEU 115 N 0.0046 -0.0014 -0.0014 881 LEU 115 CA 0.0052 -0.0018 -0.0021 882 LEU 115 C 0.0053 -0.0019 -0.0023 883 LEU 115 O 0.0053 -0.0018 -0.0017 884 LEU 115 CB 0.0060 -0.0022 -0.0017 885 LEU 115 CG 0.0060 -0.0021 -0.0015 886 LEU 115 CD1 0.0066 -0.0024 -0.0008 887 LEU 115 CD2 0.0060 -0.0022 -0.0023 888 ALA 116 N 0.0064 -0.0004 -0.0036 889 ALA 116 CA 0.0059 0.0001 -0.0042 890 ALA 116 C 0.0065 0.0008 -0.0048 891 ALA 116 O 0.0070 0.0009 -0.0047 892 ALA 116 CB 0.0050 0.0001 -0.0044 893 GLU 117 N 0.0074 0.0010 -0.0043 894 GLU 117 CA 0.0087 0.0020 -0.0062 895 GLU 117 C 0.0072 0.0035 -0.0076 896 GLU 117 O 0.0078 0.0045 -0.0093 897 GLU 117 CB 0.0102 0.0014 -0.0061 898 GLU 117 CG 0.0122 0.0000 -0.0052 899 GLU 117 CD 0.0132 -0.0009 -0.0043 900 GLU 117 OE1 0.0122 -0.0017 -0.0028 901 GLU 117 OE2 0.0150 -0.0009 -0.0053 902 GLY 118 N 0.0065 0.0029 -0.0067 903 GLY 118 CA 0.0056 0.0040 -0.0072 904 GLY 118 C 0.0047 0.0039 -0.0069 905 GLY 118 O 0.0041 0.0029 -0.0062 906 VAL 119 N 0.0034 0.0041 -0.0072 907 VAL 119 CA 0.0024 0.0041 -0.0070 908 VAL 119 C 0.0018 0.0046 -0.0077 909 VAL 119 O 0.0020 0.0050 -0.0084 910 VAL 119 CB 0.0025 0.0041 -0.0071 911 VAL 119 CG1 0.0015 0.0042 -0.0068 912 VAL 119 CG2 0.0032 0.0037 -0.0065 913 PHE 120 N 0.0023 0.0056 -0.0069 914 PHE 120 CA 0.0015 0.0063 -0.0072 915 PHE 120 C 0.0008 0.0064 -0.0072 916 PHE 120 O 0.0003 0.0057 -0.0067 917 PHE 120 CB 0.0008 0.0062 -0.0071 918 PHE 120 CG 0.0015 0.0063 -0.0072 919 PHE 120 CD1 0.0021 0.0056 -0.0069 920 PHE 120 CD2 0.0014 0.0071 -0.0077 921 PHE 120 CE1 0.0027 0.0056 -0.0070 922 PHE 120 CE2 0.0019 0.0072 -0.0078 923 PHE 120 CZ 0.0026 0.0065 -0.0075 924 VAL 121 N -0.0004 0.0058 -0.0061 925 VAL 121 CA 0.0015 0.0057 -0.0062 926 VAL 121 C 0.0024 0.0058 -0.0052 927 VAL 121 O 0.0023 0.0059 -0.0036 928 VAL 121 CB 0.0022 0.0057 -0.0057 929 VAL 121 CG1 0.0041 0.0056 -0.0060 930 VAL 121 CG2 0.0012 0.0056 -0.0067 931 TYR 122 N 0.0048 0.0090 -0.0050 932 TYR 122 CA 0.0047 0.0097 -0.0041 933 TYR 122 C 0.0068 0.0094 -0.0045 934 TYR 122 O 0.0068 0.0086 -0.0056 935 TYR 122 CB 0.0027 0.0093 -0.0045 936 TYR 122 CG 0.0007 0.0095 -0.0041 937 TYR 122 CD1 0.0001 0.0109 -0.0024 938 TYR 122 CD2 -0.0005 0.0085 -0.0055 939 TYR 122 CE1 -0.0017 0.0111 -0.0020 940 TYR 122 CE2 -0.0023 0.0087 -0.0051 941 TYR 122 CZ -0.0029 0.0100 -0.0034 942 TYR 122 OH -0.0047 0.0103 -0.0030 943 LEU 123 N 0.0286 0.0026 0.0056 944 LEU 123 CA 0.0387 0.0011 0.0041 945 LEU 123 C 0.0463 -0.0061 0.0142 946 LEU 123 O 0.0414 -0.0104 0.0241 947 LEU 123 CB 0.0339 0.0031 0.0024 948 LEU 123 CG 0.0259 0.0104 -0.0076 949 LEU 123 CD1 0.0200 0.0115 -0.0073 950 LEU 123 CD2 0.0335 0.0149 -0.0192 951 GLN 124 N 0.0823 -0.0032 0.0337 952 GLN 124 CA 0.0856 0.0024 0.0404 953 GLN 124 C 0.0971 0.0042 0.0433 954 GLN 124 O 0.1039 -0.0003 0.0388 955 GLN 124 CB 0.0836 0.0004 0.0379 956 GLN 124 CG 0.0715 -0.0004 0.0361 957 GLN 124 CD 0.0694 -0.0035 0.0323 958 GLN 124 OE1 0.0742 -0.0090 0.0265 959 GLN 124 NE2 0.0618 -0.0001 0.0356 960 GLY 125 N 0.1100 -0.0151 0.0622 961 GLY 125 CA 0.0907 -0.0177 0.0522 962 GLY 125 C 0.0989 -0.0384 0.0612 963 GLY 125 O 0.1212 -0.0488 0.0756 964 SER 126 N 0.0793 -0.0592 0.0435 965 SER 126 CA 0.0820 -0.0854 0.0442 966 SER 126 C 0.0664 -0.1275 0.0398 967 SER 126 O 0.0541 -0.1480 0.0363 968 SER 126 CB 0.0582 -0.0668 0.0375 969 SER 126 OG 0.0175 -0.0633 0.0261 970 LYS 127 N 0.0627 -0.1389 0.0357 971 LYS 127 CA 0.0491 -0.1746 0.0258 972 LYS 127 C 0.0794 -0.2012 0.0320 973 LYS 127 O 0.1112 -0.1900 0.0444 974 LYS 127 CB 0.0197 -0.1687 0.0168 975 LYS 127 CG -0.0115 -0.1409 0.0105 976 LYS 127 CD -0.0390 -0.1588 -0.0014 977 LYS 127 CE -0.0560 -0.1301 -0.0028 978 LYS 127 NZ -0.0421 -0.1376 0.0007 979 LYS 127 OXT 0.0710 -0.2327 0.0245