1 VAL 1 N -0.0005 0.0042 -0.0017 2 VAL 1 CA -0.0016 0.0045 -0.0035 3 VAL 1 C -0.0008 0.0064 -0.0041 4 VAL 1 O 0.0006 0.0083 -0.0040 5 VAL 1 CB -0.0021 0.0058 -0.0052 6 VAL 1 CG1 -0.0036 0.0059 -0.0073 7 VAL 1 CG2 -0.0018 0.0045 -0.0036 8 LEU 2 N -0.0024 0.0056 -0.0054 9 LEU 2 CA -0.0016 0.0077 -0.0063 10 LEU 2 C -0.0022 0.0099 -0.0089 11 LEU 2 O -0.0039 0.0086 -0.0100 12 LEU 2 CB -0.0030 0.0061 -0.0066 13 LEU 2 CG -0.0025 0.0050 -0.0050 14 LEU 2 CD1 -0.0006 0.0057 -0.0031 15 LEU 2 CD2 -0.0043 0.0027 -0.0053 16 SER 3 N -0.0009 0.0114 -0.0086 17 SER 3 CA -0.0013 0.0135 -0.0110 18 SER 3 C -0.0024 0.0134 -0.0123 19 SER 3 O -0.0025 0.0128 -0.0120 20 SER 3 CB 0.0007 0.0156 -0.0103 21 SER 3 OG 0.0017 0.0166 -0.0099 22 PRO 4 N -0.0031 0.0131 -0.0229 23 PRO 4 CA -0.0031 0.0098 -0.0238 24 PRO 4 C -0.0028 0.0105 -0.0206 25 PRO 4 O -0.0025 0.0075 -0.0184 26 PRO 4 CB -0.0036 0.0132 -0.0281 27 PRO 4 CG -0.0039 0.0146 -0.0306 28 PRO 4 CD -0.0036 0.0148 -0.0277 29 ALA 5 N -0.0026 0.0155 -0.0173 30 ALA 5 CA -0.0022 0.0161 -0.0141 31 ALA 5 C -0.0016 0.0127 -0.0090 32 ALA 5 O -0.0013 0.0108 -0.0065 33 ALA 5 CB -0.0021 0.0222 -0.0117 34 ASP 6 N -0.0015 0.0115 -0.0080 35 ASP 6 CA -0.0011 0.0073 -0.0044 36 ASP 6 C -0.0011 0.0027 -0.0058 37 ASP 6 O -0.0007 0.0005 -0.0019 38 ASP 6 CB -0.0010 0.0066 -0.0039 39 ASP 6 CG -0.0008 0.0111 -0.0014 40 ASP 6 OD1 -0.0005 0.0135 0.0021 41 ASP 6 OD2 -0.0010 0.0115 -0.0033 42 LYS 7 N -0.0013 0.0036 -0.0091 43 LYS 7 CA 0.0002 0.0009 -0.0088 44 LYS 7 C 0.0005 -0.0006 -0.0071 45 LYS 7 O 0.0010 -0.0023 -0.0057 46 LYS 7 CB 0.0012 0.0005 -0.0117 47 LYS 7 CG 0.0010 0.0018 -0.0134 48 LYS 7 CD 0.0020 0.0016 -0.0166 49 LYS 7 CE 0.0014 0.0034 -0.0180 50 LYS 7 NZ 0.0027 0.0023 -0.0205 51 THR 8 N -0.0007 0.0015 -0.0069 52 THR 8 CA -0.0008 0.0006 -0.0049 53 THR 8 C -0.0011 -0.0001 -0.0024 54 THR 8 O -0.0008 -0.0016 -0.0007 55 THR 8 CB -0.0017 0.0026 -0.0058 56 THR 8 OG1 -0.0009 0.0024 -0.0081 57 THR 8 CG2 -0.0018 0.0019 -0.0040 58 ASN 9 N -0.0024 0.0017 -0.0017 59 ASN 9 CA -0.0031 0.0017 0.0008 60 ASN 9 C -0.0020 -0.0008 0.0019 61 ASN 9 O -0.0022 -0.0016 0.0040 62 ASN 9 CB -0.0044 0.0039 0.0012 63 ASN 9 CG -0.0056 0.0060 0.0011 64 ASN 9 OD1 -0.0057 0.0058 0.0017 65 ASN 9 ND2 -0.0066 0.0079 0.0010 66 VAL 10 N -0.0032 0.0030 0.0007 67 VAL 10 CA -0.0020 0.0005 0.0013 68 VAL 10 C -0.0004 -0.0025 0.0016 69 VAL 10 O 0.0000 -0.0045 0.0037 70 VAL 10 CB -0.0014 0.0008 -0.0013 71 VAL 10 CG1 0.0000 -0.0019 -0.0009 72 VAL 10 CG2 -0.0026 0.0032 -0.0016 73 LYS 11 N 0.0002 -0.0023 -0.0008 74 LYS 11 CA 0.0019 -0.0053 -0.0009 75 LYS 11 C 0.0011 -0.0056 0.0023 76 LYS 11 O 0.0019 -0.0082 0.0041 77 LYS 11 CB 0.0026 -0.0050 -0.0034 78 LYS 11 CG 0.0035 -0.0049 -0.0063 79 LYS 11 CD 0.0045 -0.0054 -0.0087 80 LYS 11 CE 0.0061 -0.0063 -0.0120 81 LYS 11 NZ 0.0063 -0.0052 -0.0147 82 ALA 12 N -0.0007 -0.0033 0.0039 83 ALA 12 CA -0.0007 -0.0045 0.0060 84 ALA 12 C -0.0017 -0.0044 0.0089 85 ALA 12 O -0.0012 -0.0069 0.0115 86 ALA 12 CB -0.0027 -0.0014 0.0069 87 ALA 13 N -0.0021 -0.0069 0.0088 88 ALA 13 CA -0.0024 -0.0067 0.0078 89 ALA 13 C -0.0011 -0.0054 0.0075 90 ALA 13 O -0.0011 -0.0052 0.0073 91 ALA 13 CB -0.0032 -0.0066 0.0063 92 TRP 14 N -0.0004 -0.0047 0.0075 93 TRP 14 CA 0.0008 -0.0036 0.0072 94 TRP 14 C 0.0017 -0.0035 0.0087 95 TRP 14 O 0.0023 -0.0028 0.0085 96 TRP 14 CB 0.0015 -0.0027 0.0067 97 TRP 14 CG 0.0021 -0.0018 0.0062 98 TRP 14 CD1 0.0036 -0.0008 0.0068 99 TRP 14 CD2 0.0019 -0.0012 0.0046 100 TRP 14 NE1 0.0039 0.0001 0.0054 101 TRP 14 CE2 0.0033 0.0001 0.0043 102 TRP 14 CE3 0.0010 -0.0015 0.0034 103 TRP 14 CZ2 0.0032 0.0006 0.0032 104 TRP 14 CZ3 0.0012 -0.0006 0.0021 105 TRP 14 CH2 0.0024 0.0004 0.0021 106 GLY 15 N 0.0013 -0.0044 0.0099 107 GLY 15 CA 0.0022 -0.0042 0.0111 108 GLY 15 C 0.0015 -0.0047 0.0108 109 GLY 15 O 0.0026 -0.0040 0.0114 110 LYS 16 N 0.0019 -0.0046 0.0174 111 LYS 16 CA 0.0023 -0.0046 0.0156 112 LYS 16 C 0.0036 -0.0028 0.0141 113 LYS 16 O 0.0042 -0.0020 0.0134 114 LYS 16 CB 0.0016 -0.0065 0.0144 115 LYS 16 CG 0.0022 -0.0058 0.0135 116 LYS 16 CD 0.0016 -0.0057 0.0164 117 LYS 16 CE 0.0026 -0.0047 0.0140 118 LYS 16 NZ 0.0025 -0.0058 0.0122 119 VAL 17 N 0.0037 -0.0029 0.0131 120 VAL 17 CA 0.0046 -0.0021 0.0115 121 VAL 17 C 0.0059 0.0009 0.0122 122 VAL 17 O 0.0063 0.0012 0.0115 123 VAL 17 CB 0.0047 -0.0025 0.0102 124 VAL 17 CG1 0.0058 -0.0008 0.0093 125 VAL 17 CG2 0.0039 -0.0047 0.0089 126 GLY 18 N 0.0052 0.0005 0.0145 127 GLY 18 CA 0.0057 0.0024 0.0159 128 GLY 18 C 0.0072 0.0044 0.0142 129 GLY 18 O 0.0071 0.0040 0.0137 130 ALA 19 N 0.0052 0.0072 0.0153 131 ALA 19 CA 0.0077 0.0097 0.0152 132 ALA 19 C 0.0085 0.0094 0.0115 133 ALA 19 O 0.0108 0.0112 0.0095 134 ALA 19 CB 0.0094 0.0120 0.0169 135 HIS 20 N 0.0071 0.0073 0.0096 136 HIS 20 CA 0.0077 0.0069 0.0062 137 HIS 20 C 0.0075 0.0060 0.0041 138 HIS 20 O 0.0078 0.0053 0.0009 139 HIS 20 CB 0.0060 0.0049 0.0056 140 HIS 20 CG 0.0059 0.0052 0.0067 141 HIS 20 ND1 0.0085 0.0079 0.0066 142 HIS 20 CD2 0.0047 0.0051 0.0104 143 HIS 20 CE1 0.0074 0.0073 0.0087 144 HIS 20 NE2 0.0058 0.0062 0.0104 145 ALA 21 N 0.0071 0.0059 0.0054 146 ALA 21 CA 0.0062 0.0045 0.0036 147 ALA 21 C 0.0087 0.0057 -0.0009 148 ALA 21 O 0.0077 0.0042 -0.0024 149 ALA 21 CB 0.0053 0.0041 0.0053 150 GLY 22 N 0.0064 0.0058 0.0026 151 GLY 22 CA 0.0073 0.0064 0.0011 152 GLY 22 C 0.0077 0.0061 -0.0001 153 GLY 22 O 0.0084 0.0061 -0.0015 154 GLU 23 N 0.0080 0.0065 -0.0003 155 GLU 23 CA 0.0085 0.0062 -0.0017 156 GLU 23 C 0.0079 0.0045 -0.0024 157 GLU 23 O 0.0084 0.0041 -0.0038 158 GLU 23 CB 0.0084 0.0067 -0.0009 159 GLU 23 CG 0.0090 0.0068 -0.0022 160 GLU 23 CD 0.0089 0.0076 -0.0011 161 GLU 23 OE1 0.0082 0.0057 -0.0015 162 GLU 23 OE2 0.0087 0.0084 0.0004 163 TYR 24 N 0.0070 0.0036 -0.0014 164 TYR 24 CA 0.0065 0.0020 -0.0020 165 TYR 24 C 0.0066 0.0016 -0.0026 166 TYR 24 O 0.0066 0.0005 -0.0038 167 TYR 24 CB 0.0054 0.0011 -0.0005 168 TYR 24 CG 0.0052 0.0011 -0.0001 169 TYR 24 CD1 0.0044 0.0005 0.0010 170 TYR 24 CD2 0.0059 0.0020 -0.0007 171 TYR 24 CE1 0.0043 0.0007 0.0015 172 TYR 24 CE2 0.0059 0.0023 -0.0002 173 TYR 24 CZ 0.0048 0.0013 0.0010 174 TYR 24 OH 0.0048 0.0018 0.0016 175 GLY 25 N 0.0074 0.0035 -0.0054 176 GLY 25 CA 0.0075 0.0039 -0.0054 177 GLY 25 C 0.0069 0.0040 -0.0051 178 GLY 25 O 0.0067 0.0045 -0.0049 179 ALA 26 N 0.0066 0.0035 -0.0050 180 ALA 26 CA 0.0061 0.0035 -0.0047 181 ALA 26 C 0.0056 0.0038 -0.0044 182 ALA 26 O 0.0052 0.0042 -0.0042 183 ALA 26 CB 0.0058 0.0030 -0.0046 184 GLU 27 N 0.0056 0.0036 -0.0044 185 GLU 27 CA 0.0052 0.0038 -0.0042 186 GLU 27 C 0.0053 0.0046 -0.0042 187 GLU 27 O 0.0049 0.0048 -0.0040 188 GLU 27 CB 0.0053 0.0034 -0.0043 189 GLU 27 CG 0.0049 0.0037 -0.0041 190 GLU 27 CD 0.0050 0.0033 -0.0041 191 GLU 27 OE1 0.0049 0.0036 -0.0041 192 GLU 27 OE2 0.0051 0.0027 -0.0043 193 ALA 28 N 0.0046 0.0062 -0.0046 194 ALA 28 CA 0.0052 0.0065 -0.0038 195 ALA 28 C 0.0047 0.0069 -0.0030 196 ALA 28 O 0.0049 0.0072 -0.0024 197 ALA 28 CB 0.0059 0.0066 -0.0037 198 LEU 29 N 0.0039 0.0069 -0.0029 199 LEU 29 CA 0.0032 0.0073 -0.0021 200 LEU 29 C 0.0028 0.0073 -0.0021 201 LEU 29 O 0.0027 0.0076 -0.0014 202 LEU 29 CB 0.0023 0.0073 -0.0021 203 LEU 29 CG 0.0027 0.0074 -0.0019 204 LEU 29 CD1 0.0018 0.0073 -0.0021 205 LEU 29 CD2 0.0029 0.0078 -0.0010 206 GLU 30 N 0.0023 0.0070 -0.0029 207 GLU 30 CA 0.0020 0.0070 -0.0029 208 GLU 30 C 0.0027 0.0071 -0.0027 209 GLU 30 O 0.0025 0.0073 -0.0023 210 GLU 30 CB 0.0015 0.0066 -0.0038 211 GLU 30 CG 0.0013 0.0066 -0.0038 212 GLU 30 CD 0.0005 0.0062 -0.0049 213 GLU 30 OE1 0.0008 0.0060 -0.0054 214 GLU 30 OE2 -0.0002 0.0063 -0.0048 215 ARG 31 N 0.0019 0.0061 -0.0024 216 ARG 31 CA 0.0023 0.0068 -0.0020 217 ARG 31 C 0.0025 0.0081 -0.0012 218 ARG 31 O 0.0021 0.0086 -0.0007 219 ARG 31 CB 0.0034 0.0067 -0.0027 220 ARG 31 CG 0.0031 0.0056 -0.0033 221 ARG 31 CD 0.0043 0.0054 -0.0040 222 ARG 31 NE 0.0042 0.0043 -0.0047 223 ARG 31 CZ 0.0038 0.0043 -0.0046 224 ARG 31 NH1 0.0035 0.0050 -0.0039 225 ARG 31 NH2 0.0036 0.0033 -0.0052 226 MET 32 N 0.0030 0.0083 -0.0013 227 MET 32 CA 0.0032 0.0094 -0.0007 228 MET 32 C 0.0021 0.0097 0.0001 229 MET 32 O 0.0019 0.0106 0.0008 230 MET 32 CB 0.0039 0.0095 -0.0009 231 MET 32 CG 0.0043 0.0106 -0.0003 232 MET 32 SD 0.0051 0.0107 -0.0006 233 MET 32 CE 0.0038 0.0100 -0.0005 234 PHE 33 N 0.0013 0.0091 0.0001 235 PHE 33 CA 0.0000 0.0093 0.0008 236 PHE 33 C -0.0007 0.0094 0.0012 237 PHE 33 O -0.0012 0.0101 0.0020 238 PHE 33 CB -0.0007 0.0085 0.0005 239 PHE 33 CG -0.0002 0.0084 0.0003 240 PHE 33 CD1 0.0004 0.0091 0.0005 241 PHE 33 CD2 -0.0005 0.0072 -0.0004 242 PHE 33 CE1 0.0007 0.0090 0.0002 243 PHE 33 CE2 0.0002 0.0073 -0.0007 244 PHE 33 CZ 0.0006 0.0079 -0.0005 245 LEU 34 N -0.0006 0.0100 -0.0012 246 LEU 34 CA -0.0007 0.0099 -0.0015 247 LEU 34 C 0.0001 0.0100 -0.0010 248 LEU 34 O 0.0000 0.0101 -0.0008 249 LEU 34 CB -0.0008 0.0095 -0.0023 250 LEU 34 CG -0.0015 0.0094 -0.0029 251 LEU 34 CD1 -0.0015 0.0089 -0.0038 252 LEU 34 CD2 -0.0023 0.0097 -0.0025 253 SER 35 N 0.0010 0.0099 -0.0010 254 SER 35 CA 0.0017 0.0099 -0.0008 255 SER 35 C 0.0019 0.0103 0.0002 256 SER 35 O 0.0023 0.0104 0.0006 257 SER 35 CB 0.0026 0.0096 -0.0010 258 SER 35 OG 0.0027 0.0092 -0.0019 259 PHE 36 N 0.0016 0.0105 0.0006 260 PHE 36 CA 0.0016 0.0110 0.0015 261 PHE 36 C 0.0007 0.0113 0.0018 262 PHE 36 O 0.0006 0.0114 0.0020 263 PHE 36 CB 0.0023 0.0109 0.0016 264 PHE 36 CG 0.0033 0.0106 0.0013 265 PHE 36 CD1 0.0035 0.0102 0.0006 266 PHE 36 CD2 0.0039 0.0107 0.0016 267 PHE 36 CE1 0.0043 0.0099 0.0002 268 PHE 36 CE2 0.0047 0.0104 0.0012 269 PHE 36 CZ 0.0048 0.0100 0.0005 270 PRO 37 N 0.0016 0.0076 0.0056 271 PRO 37 CA 0.0014 0.0064 0.0058 272 PRO 37 C 0.0013 0.0058 0.0055 273 PRO 37 O 0.0011 0.0049 0.0054 274 PRO 37 CB 0.0017 0.0063 0.0070 275 PRO 37 CG 0.0019 0.0074 0.0074 276 PRO 37 CD 0.0018 0.0082 0.0064 277 THR 38 N 0.0013 0.0064 0.0052 278 THR 38 CA 0.0011 0.0057 0.0048 279 THR 38 C 0.0008 0.0052 0.0038 280 THR 38 O 0.0006 0.0045 0.0034 281 THR 38 CB 0.0012 0.0065 0.0045 282 THR 38 OG1 0.0012 0.0074 0.0040 283 THR 38 CG2 0.0015 0.0068 0.0057 284 THR 39 N 0.0007 0.0057 0.0032 285 THR 39 CA 0.0004 0.0052 0.0022 286 THR 39 C 0.0003 0.0040 0.0024 287 THR 39 O 0.0001 0.0035 0.0017 288 THR 39 CB 0.0004 0.0059 0.0017 289 THR 39 OG1 0.0006 0.0061 0.0022 290 THR 39 CG2 0.0005 0.0070 0.0014 291 LYS 40 N 0.0009 0.0018 0.0039 292 LYS 40 CA 0.0005 0.0004 0.0041 293 LYS 40 C 0.0001 -0.0011 0.0043 294 LYS 40 O -0.0002 -0.0023 0.0042 295 LYS 40 CB 0.0009 0.0002 0.0059 296 LYS 40 CG 0.0012 0.0012 0.0057 297 LYS 40 CD 0.0015 0.0010 0.0071 298 LYS 40 CE 0.0021 0.0015 0.0085 299 LYS 40 NZ 0.0024 0.0014 0.0099 300 THR 41 N 0.0003 -0.0007 0.0045 301 THR 41 CA -0.0000 -0.0018 0.0046 302 THR 41 C -0.0006 -0.0025 0.0032 303 THR 41 O -0.0010 -0.0038 0.0030 304 THR 41 CB 0.0003 -0.0011 0.0050 305 THR 41 OG1 0.0003 -0.0000 0.0038 306 THR 41 CG2 0.0009 -0.0006 0.0065 307 TYR 42 N -0.0008 -0.0020 0.0018 308 TYR 42 CA -0.0014 -0.0027 0.0004 309 TYR 42 C -0.0018 -0.0038 0.0001 310 TYR 42 O -0.0023 -0.0045 -0.0011 311 TYR 42 CB -0.0014 -0.0014 -0.0009 312 TYR 42 CG -0.0012 -0.0007 -0.0009 313 TYR 42 CD1 -0.0015 -0.0013 -0.0016 314 TYR 42 CD2 -0.0005 0.0007 -0.0002 315 TYR 42 CE1 -0.0012 -0.0004 -0.0013 316 TYR 42 CE2 -0.0003 0.0015 -0.0002 317 TYR 42 CZ -0.0007 0.0009 -0.0007 318 TYR 42 OH -0.0004 0.0016 -0.0007 319 PHE 43 N -0.0028 -0.0060 0.0027 320 PHE 43 CA -0.0039 -0.0068 0.0018 321 PHE 43 C -0.0037 -0.0091 0.0046 322 PHE 43 O -0.0033 -0.0086 0.0047 323 PHE 43 CB -0.0030 -0.0039 0.0001 324 PHE 43 CG -0.0037 -0.0018 -0.0033 325 PHE 43 CD1 -0.0020 0.0005 -0.0030 326 PHE 43 CD2 -0.0057 -0.0019 -0.0063 327 PHE 43 CE1 -0.0026 0.0023 -0.0058 328 PHE 43 CE2 -0.0063 -0.0000 -0.0094 329 PHE 43 CZ -0.0044 0.0023 -0.0088 330 PRO 44 N -0.0041 -0.0115 0.0066 331 PRO 44 CA -0.0034 -0.0131 0.0094 332 PRO 44 C -0.0061 -0.0159 0.0081 333 PRO 44 O -0.0057 -0.0167 0.0096 334 PRO 44 CB -0.0038 -0.0153 0.0111 335 PRO 44 CG -0.0056 -0.0159 0.0088 336 PRO 44 CD -0.0049 -0.0125 0.0064 337 HIS 45 N -0.0078 -0.0160 0.0054 338 HIS 45 CA -0.0100 -0.0178 0.0037 339 HIS 45 C -0.0101 -0.0161 0.0019 340 HIS 45 O -0.0117 -0.0171 0.0003 341 HIS 45 CB -0.0122 -0.0189 0.0015 342 HIS 45 CG -0.0129 -0.0172 -0.0015 343 HIS 45 ND1 -0.0106 -0.0146 -0.0006 344 HIS 45 CD2 -0.0143 -0.0163 -0.0047 345 HIS 45 CE1 -0.0113 -0.0130 -0.0034 346 HIS 45 NE2 -0.0136 -0.0140 -0.0061 347 PHE 46 N -0.0106 -0.0096 0.0056 348 PHE 46 CA -0.0105 -0.0093 0.0037 349 PHE 46 C -0.0105 -0.0095 0.0057 350 PHE 46 O -0.0095 -0.0085 0.0081 351 PHE 46 CB -0.0085 -0.0069 0.0020 352 PHE 46 CG -0.0089 -0.0071 -0.0005 353 PHE 46 CD1 -0.0076 -0.0054 -0.0031 354 PHE 46 CD2 -0.0101 -0.0083 -0.0014 355 PHE 46 CE1 -0.0077 -0.0053 -0.0056 356 PHE 46 CE2 -0.0105 -0.0085 -0.0043 357 PHE 46 CZ -0.0093 -0.0070 -0.0066 358 ASP 47 N -0.0113 -0.0101 0.0038 359 ASP 47 CA -0.0106 -0.0095 0.0050 360 ASP 47 C -0.0083 -0.0067 0.0035 361 ASP 47 O -0.0084 -0.0067 0.0009 362 ASP 47 CB -0.0122 -0.0111 0.0032 363 ASP 47 CG -0.0116 -0.0106 0.0046 364 ASP 47 OD1 -0.0102 -0.0092 0.0062 365 ASP 47 OD2 -0.0126 -0.0115 0.0027 366 LEU 48 N -0.0071 -0.0056 0.0055 367 LEU 48 CA -0.0052 -0.0034 0.0048 368 LEU 48 C -0.0042 -0.0023 0.0054 369 LEU 48 O -0.0027 -0.0005 0.0043 370 LEU 48 CB -0.0036 -0.0017 0.0067 371 LEU 48 CG -0.0039 -0.0020 0.0057 372 LEU 48 CD1 -0.0024 -0.0005 0.0084 373 LEU 48 CD2 -0.0039 -0.0017 0.0031 374 SER 49 N -0.0081 -0.0040 0.0068 375 SER 49 CA -0.0072 -0.0030 0.0066 376 SER 49 C -0.0061 -0.0009 0.0019 377 SER 49 O -0.0071 -0.0012 -0.0021 378 SER 49 CB -0.0095 -0.0059 0.0092 379 SER 49 OG -0.0116 -0.0076 0.0064 380 HIS 50 N -0.0034 0.0019 0.0016 381 HIS 50 CA -0.0029 0.0034 -0.0032 382 HIS 50 C -0.0052 0.0018 -0.0072 383 HIS 50 O -0.0073 -0.0007 -0.0060 384 HIS 50 CB -0.0002 0.0062 -0.0027 385 HIS 50 CG 0.0004 0.0077 -0.0071 386 HIS 50 ND1 0.0030 0.0108 -0.0092 387 HIS 50 CD2 0.0013 0.0089 -0.0084 388 HIS 50 CE1 0.0033 0.0120 -0.0136 389 HIS 50 NE2 0.0017 0.0103 -0.0132 390 GLY 51 N -0.0058 0.0018 -0.0104 391 GLY 51 CA -0.0080 0.0003 -0.0148 392 GLY 51 C -0.0115 -0.0034 -0.0150 393 GLY 51 O -0.0136 -0.0051 -0.0176 394 SER 52 N -0.0089 -0.0016 -0.0069 395 SER 52 CA -0.0115 -0.0031 -0.0066 396 SER 52 C -0.0120 -0.0030 -0.0083 397 SER 52 O -0.0113 -0.0024 -0.0091 398 SER 52 CB -0.0112 -0.0037 -0.0039 399 SER 52 OG -0.0108 -0.0035 -0.0038 400 ALA 53 N -0.0144 -0.0043 -0.0088 401 ALA 53 CA -0.0153 -0.0043 -0.0105 402 ALA 53 C -0.0152 -0.0046 -0.0096 403 ALA 53 O -0.0151 -0.0041 -0.0109 404 ALA 53 CB -0.0180 -0.0059 -0.0107 405 GLN 54 N -0.0148 -0.0050 -0.0070 406 GLN 54 CA -0.0147 -0.0052 -0.0061 407 GLN 54 C -0.0123 -0.0036 -0.0067 408 GLN 54 O -0.0124 -0.0036 -0.0071 409 GLN 54 CB -0.0146 -0.0059 -0.0032 410 GLN 54 CG -0.0169 -0.0075 -0.0027 411 GLN 54 CD -0.0169 -0.0082 -0.0002 412 GLN 54 OE1 -0.0163 -0.0081 0.0007 413 GLN 54 NE2 -0.0187 -0.0095 0.0010 414 VAL 55 N -0.0076 0.0009 -0.0041 415 VAL 55 CA -0.0051 0.0004 -0.0044 416 VAL 55 C -0.0042 -0.0001 -0.0059 417 VAL 55 O -0.0027 -0.0003 -0.0056 418 VAL 55 CB -0.0046 0.0002 -0.0048 419 VAL 55 CG1 -0.0022 -0.0003 -0.0054 420 VAL 55 CG2 -0.0049 0.0008 -0.0029 421 LYS 56 N -0.0054 -0.0004 -0.0079 422 LYS 56 CA -0.0051 -0.0008 -0.0093 423 LYS 56 C -0.0045 -0.0007 -0.0084 424 LYS 56 O -0.0034 -0.0009 -0.0089 425 LYS 56 CB -0.0062 -0.0012 -0.0116 426 LYS 56 CG -0.0058 -0.0014 -0.0123 427 LYS 56 CD -0.0073 -0.0019 -0.0153 428 LYS 56 CE -0.0072 -0.0022 -0.0167 429 LYS 56 NZ -0.0084 -0.0026 -0.0189 430 GLY 57 N -0.0067 -0.0001 -0.0074 431 GLY 57 CA -0.0068 0.0002 -0.0063 432 GLY 57 C -0.0049 0.0004 -0.0044 433 GLY 57 O -0.0040 0.0002 -0.0047 434 HIS 58 N -0.0000 0.0012 -0.0051 435 HIS 58 CA 0.0001 0.0006 -0.0045 436 HIS 58 C 0.0004 -0.0004 -0.0044 437 HIS 58 O 0.0004 -0.0006 -0.0037 438 HIS 58 CB 0.0002 0.0005 -0.0050 439 HIS 58 CG 0.0003 -0.0000 -0.0043 440 HIS 58 ND1 0.0002 0.0002 -0.0035 441 HIS 58 CD2 0.0005 -0.0007 -0.0045 442 HIS 58 CE1 0.0004 -0.0005 -0.0032 443 HIS 58 NE2 0.0005 -0.0010 -0.0038 444 GLY 59 N 0.0004 -0.0005 -0.0052 445 GLY 59 CA 0.0006 -0.0013 -0.0051 446 GLY 59 C 0.0006 -0.0013 -0.0045 447 GLY 59 O 0.0008 -0.0018 -0.0039 448 LYS 60 N 0.0004 -0.0005 -0.0043 449 LYS 60 CA 0.0004 -0.0004 -0.0036 450 LYS 60 C 0.0004 -0.0005 -0.0028 451 LYS 60 O 0.0005 -0.0008 -0.0022 452 LYS 60 CB 0.0002 0.0004 -0.0038 453 LYS 60 CG 0.0001 0.0006 -0.0032 454 LYS 60 CD -0.0001 0.0014 -0.0035 455 LYS 60 CE -0.0002 0.0015 -0.0026 456 LYS 60 NZ -0.0005 0.0028 -0.0037 457 LYS 61 N 0.0002 0.0011 -0.0016 458 LYS 61 CA -0.0001 0.0008 -0.0007 459 LYS 61 C 0.0002 -0.0002 -0.0004 460 LYS 61 O -0.0000 -0.0003 0.0002 461 LYS 61 CB -0.0002 0.0009 -0.0005 462 LYS 61 CG -0.0007 0.0018 -0.0005 463 LYS 61 CD -0.0007 0.0019 -0.0005 464 LYS 61 CE -0.0009 0.0023 -0.0006 465 LYS 61 NZ -0.0010 0.0026 -0.0006 466 VAL 62 N 0.0007 -0.0004 -0.0010 467 VAL 62 CA 0.0010 -0.0014 -0.0008 468 VAL 62 C 0.0010 -0.0016 -0.0006 469 VAL 62 O 0.0009 -0.0019 -0.0000 470 VAL 62 CB 0.0015 -0.0017 -0.0014 471 VAL 62 CG1 0.0019 -0.0026 -0.0013 472 VAL 62 CG2 0.0015 -0.0018 -0.0013 473 ALA 63 N 0.0011 -0.0010 -0.0012 474 ALA 63 CA 0.0011 -0.0011 -0.0011 475 ALA 63 C 0.0006 -0.0008 -0.0006 476 ALA 63 O 0.0006 -0.0012 -0.0001 477 ALA 63 CB 0.0013 -0.0007 -0.0020 478 ASP 64 N -0.0021 -0.0013 0.0023 479 ASP 64 CA -0.0033 -0.0012 0.0020 480 ASP 64 C -0.0042 -0.0020 0.0019 481 ASP 64 O -0.0050 -0.0016 0.0016 482 ASP 64 CB -0.0038 -0.0018 0.0020 483 ASP 64 CG -0.0037 -0.0004 0.0017 484 ASP 64 OD1 -0.0029 0.0005 0.0017 485 ASP 64 OD2 -0.0038 -0.0012 0.0018 486 ALA 65 N -0.0036 -0.0033 0.0023 487 ALA 65 CA -0.0041 -0.0039 0.0023 488 ALA 65 C -0.0040 -0.0033 0.0022 489 ALA 65 O -0.0050 -0.0035 0.0020 490 ALA 65 CB -0.0036 -0.0053 0.0027 491 LEU 66 N -0.0030 -0.0027 0.0023 492 LEU 66 CA -0.0030 -0.0021 0.0022 493 LEU 66 C -0.0038 -0.0010 0.0018 494 LEU 66 O -0.0045 -0.0007 0.0016 495 LEU 66 CB -0.0016 -0.0016 0.0025 496 LEU 66 CG -0.0006 -0.0026 0.0029 497 LEU 66 CD1 0.0007 -0.0021 0.0031 498 LEU 66 CD2 -0.0010 -0.0034 0.0030 499 THR 67 N -0.0056 -0.0024 0.0034 500 THR 67 CA -0.0064 -0.0017 0.0011 501 THR 67 C -0.0077 -0.0022 -0.0011 502 THR 67 O -0.0079 -0.0005 -0.0031 503 THR 67 CB -0.0068 -0.0023 0.0009 504 THR 67 OG1 -0.0059 -0.0017 0.0021 505 THR 67 CG2 -0.0081 -0.0021 -0.0019 506 ASN 68 N -0.0085 -0.0044 -0.0005 507 ASN 68 CA -0.0097 -0.0051 -0.0023 508 ASN 68 C -0.0091 -0.0037 -0.0024 509 ASN 68 O -0.0097 -0.0028 -0.0046 510 ASN 68 CB -0.0104 -0.0076 -0.0014 511 ASN 68 CG -0.0117 -0.0087 -0.0030 512 ASN 68 OD1 -0.0125 -0.0082 -0.0050 513 ASN 68 ND2 -0.0122 -0.0108 -0.0020 514 ALA 69 N -0.0076 -0.0028 -0.0003 515 ALA 69 CA -0.0072 -0.0015 -0.0007 516 ALA 69 C -0.0066 0.0013 -0.0020 517 ALA 69 O -0.0067 0.0022 -0.0032 518 ALA 69 CB -0.0058 -0.0012 0.0018 519 VAL 70 N -0.0033 -0.0005 -0.0014 520 VAL 70 CA -0.0011 0.0018 -0.0046 521 VAL 70 C -0.0014 0.0008 -0.0089 522 VAL 70 O 0.0006 0.0031 -0.0110 523 VAL 70 CB -0.0014 0.0014 -0.0041 524 VAL 70 CG1 0.0001 0.0031 -0.0068 525 VAL 70 CG2 -0.0007 0.0029 0.0002 526 ALA 71 N -0.0037 -0.0023 -0.0101 527 ALA 71 CA -0.0043 -0.0035 -0.0144 528 ALA 71 C -0.0033 -0.0023 -0.0143 529 ALA 71 O -0.0025 -0.0018 -0.0184 530 ALA 71 CB -0.0069 -0.0068 -0.0142 531 HIS 72 N -0.0031 -0.0017 -0.0118 532 HIS 72 CA -0.0024 -0.0008 -0.0123 533 HIS 72 C -0.0004 0.0020 -0.0103 534 HIS 72 O -0.0002 0.0025 -0.0078 535 HIS 72 CB -0.0047 -0.0036 -0.0104 536 HIS 72 CG -0.0063 -0.0058 -0.0126 537 HIS 72 ND1 -0.0077 -0.0082 -0.0167 538 HIS 72 CD2 -0.0089 -0.0092 -0.0126 539 HIS 72 CE1 -0.0087 -0.0099 -0.0193 540 HIS 72 NE2 -0.0107 -0.0120 -0.0164 541 VAL 73 N -0.0008 0.0005 -0.0128 542 VAL 73 CA 0.0020 0.0057 -0.0087 543 VAL 73 C 0.0054 0.0090 -0.0078 544 VAL 73 O 0.0070 0.0131 -0.0041 545 VAL 73 CB 0.0032 0.0055 -0.0103 546 VAL 73 CG1 0.0071 0.0041 -0.0160 547 VAL 73 CG2 0.0020 0.0080 -0.0058 548 ASP 74 N 0.0089 0.0078 -0.0129 549 ASP 74 CA 0.0140 0.0119 -0.0128 550 ASP 74 C 0.0103 0.0119 -0.0090 551 ASP 74 O 0.0149 0.0155 -0.0090 552 ASP 74 CB 0.0174 0.0098 -0.0189 553 ASP 74 CG 0.0214 0.0101 -0.0226 554 ASP 74 OD1 0.0229 0.0123 -0.0213 555 ASP 74 OD2 0.0203 0.0051 -0.0281 556 ASP 75 N 0.0069 0.0101 -0.0079 557 ASP 75 CA 0.0042 0.0112 -0.0038 558 ASP 75 C -0.0025 0.0086 -0.0003 559 ASP 75 O -0.0064 0.0062 0.0004 560 ASP 75 CB 0.0017 0.0050 -0.0094 561 ASP 75 CG 0.0034 0.0069 -0.0086 562 ASP 75 OD1 0.0054 0.0099 -0.0067 563 ASP 75 OD2 -0.0025 0.0017 -0.0095 564 MET 76 N -0.0050 0.0076 0.0050 565 MET 76 CA -0.0068 0.0078 0.0052 566 MET 76 C -0.0082 0.0076 0.0086 567 MET 76 O -0.0108 0.0078 0.0086 568 MET 76 CB -0.0037 0.0075 0.0053 569 MET 76 CG -0.0038 0.0077 0.0028 570 MET 76 SD -0.0011 0.0076 0.0019 571 MET 76 CE 0.0022 0.0073 0.0017 572 PRO 77 N -0.0071 0.0073 0.0107 573 PRO 77 CA -0.0091 0.0072 0.0131 574 PRO 77 C -0.0120 0.0075 0.0129 575 PRO 77 O -0.0145 0.0076 0.0145 576 PRO 77 CB -0.0072 0.0068 0.0162 577 PRO 77 CG -0.0041 0.0066 0.0145 578 PRO 77 CD -0.0040 0.0069 0.0114 579 ASN 78 N -0.0129 0.0077 0.0118 580 ASN 78 CA -0.0157 0.0080 0.0116 581 ASN 78 C -0.0174 0.0084 0.0091 582 ASN 78 O -0.0202 0.0086 0.0095 583 ASN 78 CB -0.0165 0.0081 0.0106 584 ASN 78 CG -0.0164 0.0080 0.0120 585 ASN 78 OD1 -0.0125 0.0075 0.0136 586 ASN 78 ND2 -0.0173 0.0079 0.0144 587 ALA 79 N -0.0117 0.0074 0.0067 588 ALA 79 CA -0.0119 0.0079 0.0058 589 ALA 79 C -0.0119 0.0077 0.0063 590 ALA 79 O -0.0127 0.0079 0.0059 591 ALA 79 CB -0.0110 0.0085 0.0049 592 LEU 80 N -0.0110 0.0073 0.0069 593 LEU 80 CA -0.0106 0.0069 0.0075 594 LEU 80 C -0.0114 0.0063 0.0086 595 LEU 80 O -0.0110 0.0059 0.0092 596 LEU 80 CB -0.0091 0.0068 0.0076 597 LEU 80 CG -0.0084 0.0075 0.0064 598 LEU 80 CD1 -0.0070 0.0074 0.0066 599 LEU 80 CD2 -0.0090 0.0079 0.0058 600 SER 81 N -0.0124 0.0061 0.0090 601 SER 81 CA -0.0126 0.0053 0.0102 602 SER 81 C -0.0134 0.0052 0.0104 603 SER 81 O -0.0131 0.0046 0.0114 604 SER 81 CB -0.0142 0.0055 0.0100 605 SER 81 OG -0.0142 0.0047 0.0112 606 ALA 82 N -0.0062 0.0057 0.0066 607 ALA 82 CA -0.0038 0.0061 0.0062 608 ALA 82 C -0.0024 0.0053 0.0051 609 ALA 82 O -0.0006 0.0044 0.0038 610 ALA 82 CB -0.0025 0.0080 0.0075 611 LEU 83 N -0.0026 0.0063 0.0060 612 LEU 83 CA -0.0008 0.0058 0.0051 613 LEU 83 C -0.0018 0.0040 0.0038 614 LEU 83 O -0.0002 0.0030 0.0024 615 LEU 83 CB -0.0013 0.0072 0.0065 616 LEU 83 CG 0.0003 0.0083 0.0070 617 LEU 83 CD1 0.0024 0.0093 0.0072 618 LEU 83 CD2 -0.0000 0.0106 0.0091 619 SER 84 N -0.0040 0.0030 0.0036 620 SER 84 CA -0.0046 0.0010 0.0019 621 SER 84 C -0.0036 -0.0005 0.0003 622 SER 84 O -0.0030 -0.0018 -0.0010 623 SER 84 CB -0.0078 -0.0002 0.0018 624 SER 84 OG -0.0087 0.0010 0.0031 625 ASP 85 N -0.0021 -0.0021 -0.0021 626 ASP 85 CA 0.0001 -0.0047 -0.0049 627 ASP 85 C 0.0038 -0.0052 -0.0043 628 ASP 85 O 0.0049 -0.0066 -0.0060 629 ASP 85 CB 0.0007 -0.0048 -0.0047 630 ASP 85 CG -0.0031 -0.0050 -0.0061 631 ASP 85 OD1 -0.0043 -0.0058 -0.0075 632 ASP 85 OD2 -0.0031 -0.0045 -0.0056 633 LEU 86 N 0.0056 -0.0033 -0.0013 634 LEU 86 CA 0.0091 -0.0035 -0.0006 635 LEU 86 C 0.0093 -0.0041 -0.0013 636 LEU 86 O 0.0117 -0.0054 -0.0023 637 LEU 86 CB 0.0103 -0.0013 0.0028 638 LEU 86 CG 0.0134 -0.0012 0.0037 639 LEU 86 CD1 0.0165 -0.0025 0.0030 640 LEU 86 CD2 0.0152 0.0010 0.0073 641 HIS 87 N 0.0062 -0.0026 -0.0003 642 HIS 87 CA 0.0068 -0.0030 -0.0006 643 HIS 87 C 0.0054 -0.0055 -0.0043 644 HIS 87 O 0.0071 -0.0064 -0.0050 645 HIS 87 CB 0.0038 -0.0011 0.0010 646 HIS 87 CG 0.0059 0.0009 0.0043 647 HIS 87 ND1 0.0055 0.0024 0.0062 648 HIS 87 CD2 0.0075 0.0019 0.0062 649 HIS 87 CE1 0.0075 0.0039 0.0088 650 HIS 87 NE2 0.0085 0.0038 0.0090 651 ALA 88 N 0.0023 -0.0064 -0.0038 652 ALA 88 CA 0.0009 -0.0078 -0.0078 653 ALA 88 C 0.0049 -0.0098 -0.0103 654 ALA 88 O 0.0042 -0.0106 -0.0126 655 ALA 88 CB -0.0024 -0.0078 -0.0093 656 HIS 89 N 0.0069 -0.0098 -0.0093 657 HIS 89 CA 0.0099 -0.0114 -0.0116 658 HIS 89 C 0.0137 -0.0120 -0.0110 659 HIS 89 O 0.0162 -0.0135 -0.0132 660 HIS 89 CB 0.0101 -0.0118 -0.0124 661 HIS 89 CG 0.0067 -0.0118 -0.0141 662 HIS 89 ND1 0.0042 -0.0125 -0.0169 663 HIS 89 CD2 0.0041 -0.0108 -0.0131 664 HIS 89 CE1 0.0003 -0.0120 -0.0178 665 HIS 89 NE2 0.0014 -0.0112 -0.0155 666 LYS 90 N 0.0150 -0.0109 -0.0078 667 LYS 90 CA 0.0180 -0.0109 -0.0063 668 LYS 90 C 0.0188 -0.0104 -0.0048 669 LYS 90 O 0.0198 -0.0112 -0.0062 670 LYS 90 CB 0.0203 -0.0101 -0.0033 671 LYS 90 CG 0.0212 -0.0113 -0.0057 672 LYS 90 CD 0.0231 -0.0128 -0.0082 673 LYS 90 CE 0.0249 -0.0128 -0.0073 674 LYS 90 NZ 0.0265 -0.0159 -0.0138 675 LEU 91 N 0.0109 -0.0061 -0.0040 676 LEU 91 CA 0.0108 -0.0056 -0.0026 677 LEU 91 C 0.0094 -0.0054 -0.0036 678 LEU 91 O 0.0100 -0.0056 -0.0034 679 LEU 91 CB 0.0098 -0.0046 -0.0003 680 LEU 91 CG 0.0111 -0.0047 0.0010 681 LEU 91 CD1 0.0102 -0.0039 0.0026 682 LEU 91 CD2 0.0132 -0.0054 0.0014 683 ARG 92 N 0.0077 -0.0050 -0.0045 684 ARG 92 CA 0.0062 -0.0049 -0.0060 685 ARG 92 C 0.0056 -0.0043 -0.0049 686 ARG 92 O 0.0055 -0.0045 -0.0055 687 ARG 92 CB 0.0075 -0.0060 -0.0081 688 ARG 92 CG 0.0075 -0.0064 -0.0095 689 ARG 92 CD 0.0107 -0.0079 -0.0104 690 ARG 92 NE 0.0089 -0.0075 -0.0115 691 ARG 92 CZ 0.0124 -0.0093 -0.0130 692 ARG 92 NH1 0.0137 -0.0092 -0.0109 693 ARG 92 NH2 0.0119 -0.0094 -0.0142 694 VAL 93 N 0.0048 -0.0035 -0.0031 695 VAL 93 CA 0.0039 -0.0028 -0.0017 696 VAL 93 C 0.0020 -0.0023 -0.0026 697 VAL 93 O 0.0004 -0.0019 -0.0032 698 VAL 93 CB 0.0037 -0.0021 0.0004 699 VAL 93 CG1 0.0026 -0.0013 0.0017 700 VAL 93 CG2 0.0058 -0.0026 0.0015 701 ASP 94 N 0.0030 -0.0005 -0.0019 702 ASP 94 CA 0.0025 -0.0003 -0.0022 703 ASP 94 C 0.0018 0.0010 -0.0021 704 ASP 94 O 0.0022 0.0016 -0.0015 705 ASP 94 CB 0.0032 -0.0003 -0.0016 706 ASP 94 CG 0.0026 -0.0001 -0.0020 707 ASP 94 OD1 0.0026 -0.0009 -0.0025 708 ASP 94 OD2 0.0022 0.0008 -0.0019 709 PRO 95 N 0.0011 0.0013 -0.0026 710 PRO 95 CA 0.0004 0.0023 -0.0026 711 PRO 95 C 0.0008 0.0031 -0.0019 712 PRO 95 O 0.0004 0.0041 -0.0017 713 PRO 95 CB -0.0004 0.0023 -0.0033 714 PRO 95 CG -0.0005 0.0013 -0.0039 715 PRO 95 CD 0.0005 0.0006 -0.0035 716 VAL 96 N 0.0014 0.0030 -0.0015 717 VAL 96 CA 0.0016 0.0039 -0.0008 718 VAL 96 C 0.0021 0.0045 -0.0002 719 VAL 96 O 0.0021 0.0053 0.0004 720 VAL 96 CB 0.0023 0.0034 -0.0005 721 VAL 96 CG1 0.0031 0.0030 -0.0001 722 VAL 96 CG2 0.0023 0.0041 -0.0001 723 ASN 97 N 0.0038 0.0048 0.0015 724 ASN 97 CA 0.0040 0.0054 0.0011 725 ASN 97 C 0.0035 0.0060 0.0008 726 ASN 97 O 0.0038 0.0066 0.0005 727 ASN 97 CB 0.0037 0.0053 0.0012 728 ASN 97 CG 0.0042 0.0048 0.0015 729 ASN 97 OD1 0.0048 0.0049 0.0014 730 ASN 97 ND2 0.0039 0.0041 0.0018 731 PHE 98 N 0.0030 0.0059 0.0008 732 PHE 98 CA 0.0026 0.0064 0.0006 733 PHE 98 C 0.0031 0.0069 0.0003 734 PHE 98 O 0.0031 0.0075 -0.0000 735 PHE 98 CB 0.0018 0.0063 0.0006 736 PHE 98 CG 0.0013 0.0060 0.0008 737 PHE 98 CD1 0.0007 0.0065 0.0005 738 PHE 98 CD2 0.0013 0.0054 0.0011 739 PHE 98 CE1 0.0002 0.0063 0.0006 740 PHE 98 CE2 0.0007 0.0052 0.0012 741 PHE 98 CZ 0.0003 0.0057 0.0010 742 LYS 99 N 0.0037 0.0066 0.0005 743 LYS 99 CA 0.0043 0.0069 0.0003 744 LYS 99 C 0.0048 0.0072 0.0002 745 LYS 99 O 0.0049 0.0078 -0.0002 746 LYS 99 CB 0.0046 0.0063 0.0006 747 LYS 99 CG 0.0043 0.0059 0.0008 748 LYS 99 CD 0.0044 0.0057 0.0010 749 LYS 99 CE 0.0050 0.0049 0.0014 750 LYS 99 NZ 0.0046 0.0044 0.0017 751 LEU 100 N 0.0061 0.0089 0.0009 752 LEU 100 CA 0.0058 0.0087 0.0007 753 LEU 100 C 0.0057 0.0085 0.0004 754 LEU 100 O 0.0056 0.0082 0.0002 755 LEU 100 CB 0.0054 0.0090 0.0008 756 LEU 100 CG 0.0055 0.0093 0.0010 757 LEU 100 CD1 0.0050 0.0096 0.0011 758 LEU 100 CD2 0.0055 0.0092 0.0009 759 LEU 101 N 0.0057 0.0086 0.0005 760 LEU 101 CA 0.0057 0.0083 0.0003 761 LEU 101 C 0.0061 0.0080 0.0002 762 LEU 101 O 0.0060 0.0077 -0.0001 763 LEU 101 CB 0.0057 0.0085 0.0004 764 LEU 101 CG 0.0056 0.0082 0.0002 765 LEU 101 CD1 0.0053 0.0080 -0.0001 766 LEU 101 CD2 0.0056 0.0085 0.0004 767 SER 102 N 0.0065 0.0080 0.0003 768 SER 102 CA 0.0069 0.0078 0.0002 769 SER 102 C 0.0068 0.0075 -0.0000 770 SER 102 O 0.0069 0.0071 -0.0003 771 SER 102 CB 0.0073 0.0079 0.0005 772 SER 102 OG 0.0074 0.0081 0.0007 773 HIS 103 N 0.0080 0.0064 0.0006 774 HIS 103 CA 0.0073 0.0059 0.0003 775 HIS 103 C 0.0069 0.0052 -0.0000 776 HIS 103 O 0.0068 0.0043 -0.0002 777 HIS 103 CB 0.0067 0.0063 0.0001 778 HIS 103 CG 0.0060 0.0057 -0.0003 779 HIS 103 ND1 0.0051 0.0059 -0.0006 780 HIS 103 CD2 0.0062 0.0049 -0.0003 781 HIS 103 CE1 0.0048 0.0051 -0.0009 782 HIS 103 NE2 0.0054 0.0044 -0.0007 783 CYS 104 N 0.0065 0.0057 -0.0001 784 CYS 104 CA 0.0058 0.0052 -0.0004 785 CYS 104 C 0.0065 0.0046 -0.0003 786 CYS 104 O 0.0062 0.0038 -0.0005 787 CYS 104 CB 0.0053 0.0060 -0.0005 788 CYS 104 SG 0.0044 0.0066 -0.0008 789 LEU 105 N 0.0074 0.0048 0.0001 790 LEU 105 CA 0.0079 0.0040 0.0002 791 LEU 105 C 0.0082 0.0030 0.0001 792 LEU 105 O 0.0082 0.0023 -0.0000 793 LEU 105 CB 0.0088 0.0047 0.0006 794 LEU 105 CG 0.0089 0.0050 0.0007 795 LEU 105 CD1 0.0097 0.0057 0.0012 796 LEU 105 CD2 0.0088 0.0046 0.0006 797 LEU 106 N 0.0078 0.0018 0.0004 798 LEU 106 CA 0.0075 0.0009 0.0006 799 LEU 106 C 0.0068 0.0004 0.0003 800 LEU 106 O 0.0068 -0.0004 0.0006 801 LEU 106 CB 0.0073 0.0010 0.0004 802 LEU 106 CG 0.0076 0.0009 0.0007 803 LEU 106 CD1 0.0074 0.0011 0.0004 804 LEU 106 CD2 0.0084 0.0005 0.0014 805 VAL 107 N 0.0062 0.0008 -0.0002 806 VAL 107 CA 0.0056 0.0004 -0.0004 807 VAL 107 C 0.0058 0.0001 -0.0002 808 VAL 107 O 0.0055 -0.0007 -0.0001 809 VAL 107 CB 0.0050 0.0010 -0.0011 810 VAL 107 CG1 0.0044 0.0006 -0.0013 811 VAL 107 CG2 0.0046 0.0011 -0.0014 812 THR 108 N 0.0064 0.0006 -0.0000 813 THR 108 CA 0.0066 0.0003 0.0003 814 THR 108 C 0.0069 -0.0004 0.0008 815 THR 108 O 0.0068 -0.0010 0.0009 816 THR 108 CB 0.0072 0.0013 0.0003 817 THR 108 OG1 0.0068 0.0019 -0.0003 818 THR 108 CG2 0.0074 0.0010 0.0005 819 LEU 109 N 0.0076 -0.0035 0.0033 820 LEU 109 CA 0.0079 -0.0044 0.0042 821 LEU 109 C 0.0073 -0.0057 0.0038 822 LEU 109 O 0.0073 -0.0063 0.0042 823 LEU 109 CB 0.0084 -0.0043 0.0049 824 LEU 109 CG 0.0092 -0.0033 0.0056 825 LEU 109 CD1 0.0096 -0.0031 0.0060 826 LEU 109 CD2 0.0094 -0.0027 0.0057 827 ALA 110 N 0.0068 -0.0058 0.0032 828 ALA 110 CA 0.0062 -0.0070 0.0029 829 ALA 110 C 0.0058 -0.0073 0.0024 830 ALA 110 O 0.0056 -0.0082 0.0025 831 ALA 110 CB 0.0057 -0.0070 0.0021 832 ALA 111 N 0.0056 -0.0064 0.0017 833 ALA 111 CA 0.0052 -0.0063 0.0011 834 ALA 111 C 0.0057 -0.0066 0.0019 835 ALA 111 O 0.0053 -0.0068 0.0015 836 ALA 111 CB 0.0049 -0.0054 0.0003 837 HIS 112 N 0.0064 -0.0061 0.0021 838 HIS 112 CA 0.0070 -0.0054 0.0035 839 HIS 112 C 0.0069 -0.0068 0.0053 840 HIS 112 O 0.0072 -0.0063 0.0061 841 HIS 112 CB 0.0079 -0.0033 0.0041 842 HIS 112 CG 0.0080 -0.0020 0.0025 843 HIS 112 ND1 0.0083 -0.0013 0.0026 844 HIS 112 CD2 0.0081 -0.0011 0.0013 845 HIS 112 CE1 0.0084 0.0000 0.0008 846 HIS 112 NE2 0.0082 0.0001 -0.0001 847 LEU 113 N 0.0065 -0.0080 0.0057 848 LEU 113 CA 0.0065 -0.0090 0.0076 849 LEU 113 C 0.0057 -0.0109 0.0071 850 LEU 113 O 0.0055 -0.0120 0.0078 851 LEU 113 CB 0.0067 -0.0091 0.0086 852 LEU 113 CG 0.0077 -0.0072 0.0096 853 LEU 113 CD1 0.0080 -0.0070 0.0112 854 LEU 113 CD2 0.0082 -0.0061 0.0103 855 PRO 114 N 0.0053 -0.0116 0.0061 856 PRO 114 CA 0.0044 -0.0136 0.0054 857 PRO 114 C 0.0043 -0.0149 0.0074 858 PRO 114 O 0.0039 -0.0160 0.0074 859 PRO 114 CB 0.0043 -0.0134 0.0049 860 PRO 114 CG 0.0050 -0.0119 0.0054 861 PRO 114 CD 0.0056 -0.0105 0.0058 862 ALA 115 N 0.0036 -0.0124 0.0101 863 ALA 115 CA 0.0036 -0.0136 0.0113 864 ALA 115 C 0.0040 -0.0131 0.0113 865 ALA 115 O 0.0037 -0.0138 0.0117 866 ALA 115 CB 0.0044 -0.0139 0.0126 867 GLU 116 N 0.0050 -0.0119 0.0110 868 GLU 116 CA 0.0058 -0.0114 0.0114 869 GLU 116 C 0.0052 -0.0107 0.0100 870 GLU 116 O 0.0056 -0.0105 0.0102 871 GLU 116 CB 0.0072 -0.0101 0.0116 872 GLU 116 CG 0.0081 -0.0104 0.0130 873 GLU 116 CD 0.0077 -0.0106 0.0126 874 GLU 116 OE1 0.0071 -0.0102 0.0116 875 GLU 116 OE2 0.0084 -0.0109 0.0138 876 PHE 117 N 0.0044 -0.0105 0.0088 877 PHE 117 CA 0.0037 -0.0100 0.0076 878 PHE 117 C 0.0025 -0.0110 0.0073 879 PHE 117 O 0.0015 -0.0110 0.0062 880 PHE 117 CB 0.0035 -0.0090 0.0063 881 PHE 117 CG 0.0034 -0.0079 0.0049 882 PHE 117 CD1 0.0045 -0.0068 0.0050 883 PHE 117 CD2 0.0021 -0.0082 0.0038 884 PHE 117 CE1 0.0044 -0.0058 0.0038 885 PHE 117 CE2 0.0020 -0.0072 0.0026 886 PHE 117 CZ 0.0032 -0.0061 0.0027 887 THR 118 N 0.0010 -0.0086 0.0033 888 THR 118 CA -0.0002 -0.0088 0.0032 889 THR 118 C -0.0005 -0.0080 0.0019 890 THR 118 O 0.0005 -0.0074 0.0013 891 THR 118 CB 0.0002 -0.0092 0.0039 892 THR 118 OG1 0.0012 -0.0088 0.0037 893 THR 118 CG2 0.0002 -0.0101 0.0054 894 PRO 119 N -0.0016 -0.0080 0.0017 895 PRO 119 CA -0.0020 -0.0073 0.0004 896 PRO 119 C -0.0010 -0.0069 0.0000 897 PRO 119 O -0.0005 -0.0061 -0.0009 898 PRO 119 CB -0.0035 -0.0075 0.0004 899 PRO 119 CG -0.0042 -0.0082 0.0012 900 PRO 119 CD -0.0030 -0.0087 0.0023 901 ALA 120 N -0.0005 -0.0073 0.0009 902 ALA 120 CA 0.0004 -0.0071 0.0008 903 ALA 120 C 0.0020 -0.0067 0.0006 904 ALA 120 O 0.0027 -0.0060 -0.0002 905 ALA 120 CB 0.0007 -0.0075 0.0016 906 VAL 121 N 0.0013 -0.0034 0.0038 907 VAL 121 CA 0.0018 -0.0030 0.0037 908 VAL 121 C 0.0018 -0.0027 0.0031 909 VAL 121 O 0.0022 -0.0023 0.0030 910 VAL 121 CB 0.0020 -0.0032 0.0041 911 VAL 121 CG1 0.0026 -0.0028 0.0041 912 VAL 121 CG2 0.0022 -0.0035 0.0048 913 HIS 122 N 0.0014 -0.0028 0.0029 914 HIS 122 CA 0.0013 -0.0024 0.0022 915 HIS 122 C 0.0014 -0.0022 0.0020 916 HIS 122 O 0.0017 -0.0018 0.0016 917 HIS 122 CB 0.0007 -0.0027 0.0021 918 HIS 122 CG 0.0005 -0.0025 0.0015 919 HIS 122 ND1 0.0000 -0.0027 0.0013 920 HIS 122 CD2 0.0007 -0.0021 0.0010 921 HIS 122 CE1 -0.0001 -0.0023 0.0007 922 HIS 122 NE2 0.0004 -0.0020 0.0005 923 ALA 123 N 0.0011 -0.0024 0.0021 924 ALA 123 CA 0.0011 -0.0023 0.0018 925 ALA 123 C 0.0017 -0.0020 0.0020 926 ALA 123 O 0.0020 -0.0016 0.0016 927 ALA 123 CB 0.0008 -0.0026 0.0020 928 SER 124 N 0.0001 0.0025 0.0032 929 SER 124 CA 0.0005 0.0023 0.0028 930 SER 124 C 0.0010 0.0019 0.0028 931 SER 124 O 0.0013 0.0019 0.0024 932 SER 124 CB 0.0007 0.0021 0.0031 933 SER 124 OG 0.0003 0.0024 0.0030 934 LEU 125 N 0.0010 0.0018 0.0034 935 LEU 125 CA 0.0014 0.0015 0.0033 936 LEU 125 C 0.0014 0.0016 0.0030 937 LEU 125 O 0.0018 0.0014 0.0027 938 LEU 125 CB 0.0015 0.0013 0.0039 939 LEU 125 CG 0.0017 0.0010 0.0044 940 LEU 125 CD1 0.0016 0.0009 0.0050 941 LEU 125 CD2 0.0022 0.0007 0.0042 942 ASP 126 N 0.0010 0.0019 0.0030 943 ASP 126 CA 0.0009 0.0021 0.0026 944 ASP 126 C 0.0011 0.0021 0.0020 945 ASP 126 O 0.0013 0.0021 0.0016 946 ASP 126 CB 0.0004 0.0024 0.0028 947 ASP 126 CG 0.0002 0.0026 0.0026 948 ASP 126 OD1 0.0006 0.0023 0.0026 949 ASP 126 OD2 0.0000 0.0028 0.0022 950 LYS 127 N 0.0017 0.0050 0.0028 951 LYS 127 CA 0.0016 0.0049 0.0029 952 LYS 127 C 0.0009 0.0047 0.0028 953 LYS 127 O 0.0007 0.0045 0.0032 954 LYS 127 CB 0.0020 0.0051 0.0027 955 LYS 127 CG 0.0019 0.0051 0.0027 956 LYS 127 CD 0.0026 0.0054 0.0025 957 LYS 127 CE 0.0024 0.0053 0.0025 958 LYS 127 NZ 0.0027 0.0055 0.0022 959 PHE 128 N 0.0007 0.0048 0.0024 960 PHE 128 CA 0.0001 0.0046 0.0022 961 PHE 128 C -0.0002 0.0043 0.0027 962 PHE 128 O -0.0006 0.0041 0.0029 963 PHE 128 CB -0.0001 0.0047 0.0017 964 PHE 128 CG -0.0007 0.0045 0.0016 965 PHE 128 CD1 -0.0010 0.0044 0.0014 966 PHE 128 CD2 -0.0009 0.0045 0.0015 967 PHE 128 CE1 -0.0016 0.0043 0.0014 968 PHE 128 CE2 -0.0015 0.0043 0.0013 969 PHE 128 CZ -0.0018 0.0043 0.0012 970 LEU 129 N 0.0000 0.0044 0.0029 971 LEU 129 CA -0.0003 0.0041 0.0033 972 LEU 129 C -0.0002 0.0040 0.0038 973 LEU 129 O -0.0006 0.0037 0.0041 974 LEU 129 CB -0.0001 0.0042 0.0033 975 LEU 129 CG -0.0003 0.0043 0.0027 976 LEU 129 CD1 -0.0000 0.0044 0.0027 977 LEU 129 CD2 -0.0010 0.0041 0.0027 978 ALA 130 N -0.0016 0.0062 0.0037 979 ALA 130 CA -0.0015 0.0057 0.0045 980 ALA 130 C -0.0022 0.0056 0.0049 981 ALA 130 O -0.0025 0.0054 0.0055 982 ALA 130 CB -0.0007 0.0054 0.0046 983 SER 131 N -0.0025 0.0059 0.0047 984 SER 131 CA -0.0032 0.0059 0.0051 985 SER 131 C -0.0040 0.0061 0.0051 986 SER 131 O -0.0044 0.0059 0.0057 987 SER 131 CB -0.0034 0.0062 0.0047 988 SER 131 OG -0.0028 0.0059 0.0048 989 VAL 132 N -0.0040 0.0065 0.0045 990 VAL 132 CA -0.0047 0.0067 0.0045 991 VAL 132 C -0.0046 0.0064 0.0050 992 VAL 132 O -0.0053 0.0063 0.0055 993 VAL 132 CB -0.0047 0.0072 0.0039 994 VAL 132 CG1 -0.0053 0.0074 0.0038 995 VAL 132 CG2 -0.0049 0.0076 0.0033 996 SER 133 N -0.0045 0.0081 0.0054 997 SER 133 CA -0.0036 0.0067 0.0045 998 SER 133 C -0.0048 0.0051 0.0043 999 SER 133 O -0.0042 0.0044 0.0039 1000 SER 133 CB -0.0025 0.0064 0.0041 1001 SER 133 OG -0.0012 0.0077 0.0042 1002 THR 134 N -0.0062 0.0047 0.0046 1003 THR 134 CA -0.0072 0.0033 0.0044 1004 THR 134 C -0.0080 0.0036 0.0048 1005 THR 134 O -0.0082 0.0024 0.0044 1006 THR 134 CB -0.0086 0.0032 0.0048 1007 THR 134 OG1 -0.0083 0.0026 0.0045 1008 THR 134 CG2 -0.0102 0.0018 0.0048 1009 VAL 135 N -0.0085 0.0050 0.0055 1010 VAL 135 CA -0.0093 0.0053 0.0058 1011 VAL 135 C -0.0077 0.0055 0.0054 1012 VAL 135 O -0.0081 0.0046 0.0052 1013 VAL 135 CB -0.0100 0.0072 0.0067 1014 VAL 135 CG1 -0.0102 0.0078 0.0070 1015 VAL 135 CG2 -0.0115 0.0072 0.0072 1016 LEU 136 N -0.0059 0.0051 0.0030 1017 LEU 136 CA -0.0037 0.0042 0.0027 1018 LEU 136 C -0.0033 0.0024 0.0009 1019 LEU 136 O -0.0015 0.0013 0.0004 1020 LEU 136 CB -0.0020 0.0051 0.0042 1021 LEU 136 CG -0.0014 0.0065 0.0058 1022 LEU 136 CD1 -0.0001 0.0073 0.0070 1023 LEU 136 CD2 -0.0016 0.0063 0.0056 1024 THR 137 N -0.0045 0.0022 0.0004 1025 THR 137 CA -0.0041 0.0005 -0.0012 1026 THR 137 C -0.0058 -0.0002 -0.0025 1027 THR 137 O -0.0058 -0.0016 -0.0039 1028 THR 137 CB -0.0051 0.0011 -0.0009 1029 THR 137 OG1 -0.0025 0.0013 0.0001 1030 THR 137 CG2 -0.0059 0.0022 0.0000 1031 SER 138 N -0.0071 0.0003 -0.0024 1032 SER 138 CA -0.0089 -0.0003 -0.0035 1033 SER 138 C -0.0086 -0.0020 -0.0052 1034 SER 138 O -0.0098 -0.0029 -0.0064 1035 SER 138 CB -0.0103 0.0010 -0.0026 1036 SER 138 OG -0.0112 0.0011 -0.0028 1037 LYS 139 N -0.0054 -0.0026 -0.0076 1038 LYS 139 CA -0.0068 -0.0041 -0.0071 1039 LYS 139 C -0.0057 -0.0053 -0.0060 1040 LYS 139 O -0.0065 -0.0063 -0.0056 1041 LYS 139 CB -0.0083 -0.0038 -0.0077 1042 LYS 139 CG -0.0093 -0.0027 -0.0086 1043 LYS 139 CD -0.0106 -0.0020 -0.0094 1044 LYS 139 CE -0.0118 -0.0013 -0.0102 1045 LYS 139 NZ -0.0129 -0.0004 -0.0111 1046 TYR 140 N -0.0040 -0.0051 -0.0056 1047 TYR 140 CA -0.0029 -0.0061 -0.0048 1048 TYR 140 C -0.0030 -0.0078 -0.0037 1049 TYR 140 O -0.0030 -0.0089 -0.0030 1050 TYR 140 CB -0.0008 -0.0056 -0.0045 1051 TYR 140 CG -0.0003 -0.0045 -0.0050 1052 TYR 140 CD1 0.0014 -0.0046 -0.0045 1053 TYR 140 CD2 -0.0012 -0.0033 -0.0060 1054 TYR 140 CE1 0.0019 -0.0036 -0.0050 1055 TYR 140 CE2 -0.0004 -0.0022 -0.0064 1056 TYR 140 CZ 0.0012 -0.0024 -0.0058 1057 TYR 140 OH 0.0017 -0.0015 -0.0063 1058 ARG 141 N -0.0035 -0.0080 -0.0037 1059 ARG 141 CA -0.0038 -0.0097 -0.0028 1060 ARG 141 C -0.0052 -0.0096 -0.0032 1061 ARG 141 O -0.0051 -0.0083 -0.0040 1062 ARG 141 CB -0.0022 -0.0102 -0.0020 1063 ARG 141 CG -0.0008 -0.0091 -0.0023 1064 ARG 141 CD 0.0007 -0.0103 -0.0012 1065 ARG 141 NE 0.0017 -0.0091 -0.0016 1066 ARG 141 CZ 0.0031 -0.0098 -0.0008 1067 ARG 141 NH1 0.0039 -0.0111 0.0002 1068 ARG 141 NH2 0.0040 -0.0087 -0.0012 1069 ARG 141 OXT -0.0055 -0.0109 -0.0025 1070 VAL 1 N 0.0205 0.0084 0.0257 1071 VAL 1 CA 0.0140 0.0016 0.0256 1072 VAL 1 C 0.0119 -0.0021 0.0280 1073 VAL 1 O 0.0181 -0.0003 0.0349 1074 VAL 1 CB 0.0086 0.0019 0.0169 1075 VAL 1 CG1 0.0049 -0.0035 0.0192 1076 VAL 1 CG2 0.0097 0.0060 0.0124 1077 HIS 2 N 0.0090 -0.0050 0.0277 1078 HIS 2 CA 0.0079 -0.0066 0.0284 1079 HIS 2 C 0.0022 -0.0078 0.0213 1080 HIS 2 O -0.0037 -0.0116 0.0178 1081 HIS 2 CB 0.0011 -0.0152 0.0305 1082 HIS 2 CG -0.0012 -0.0180 0.0310 1083 HIS 2 ND1 -0.0089 -0.0221 0.0252 1084 HIS 2 CD2 0.0023 -0.0184 0.0370 1085 HIS 2 CE1 -0.0088 -0.0246 0.0290 1086 HIS 2 NE2 -0.0037 -0.0218 0.0328 1087 LEU 3 N 0.0049 -0.0040 0.0199 1088 LEU 3 CA 0.0010 -0.0045 0.0146 1089 LEU 3 C 0.0022 -0.0050 0.0171 1090 LEU 3 O 0.0064 -0.0042 0.0224 1091 LEU 3 CB 0.0052 0.0031 0.0098 1092 LEU 3 CG 0.0044 0.0050 0.0057 1093 LEU 3 CD1 0.0074 0.0106 0.0021 1094 LEU 3 CD2 -0.0011 0.0031 0.0002 1095 THR 4 N -0.0088 -0.0106 0.0225 1096 THR 4 CA -0.0081 -0.0100 0.0220 1097 THR 4 C -0.0026 -0.0048 0.0173 1098 THR 4 O 0.0000 -0.0002 0.0100 1099 THR 4 CB -0.0191 -0.0151 0.0188 1100 THR 4 OG1 -0.0224 -0.0126 0.0080 1101 THR 4 CG2 -0.0272 -0.0214 0.0225 1102 PRO 5 N -0.0024 -0.0043 0.0164 1103 PRO 5 CA 0.0028 -0.0002 0.0138 1104 PRO 5 C 0.0003 0.0040 0.0004 1105 PRO 5 O 0.0062 0.0096 -0.0049 1106 PRO 5 CB 0.0050 0.0007 0.0149 1107 PRO 5 CG 0.0009 -0.0059 0.0248 1108 PRO 5 CD -0.0031 -0.0095 0.0279 1109 GLU 6 N -0.0094 -0.0012 -0.0010 1110 GLU 6 CA -0.0136 0.0005 -0.0110 1111 GLU 6 C -0.0113 0.0040 -0.0161 1112 GLU 6 O -0.0102 0.0091 -0.0268 1113 GLU 6 CB -0.0253 -0.0053 -0.0135 1114 GLU 6 CG -0.0306 -0.0099 -0.0099 1115 GLU 6 CD -0.0302 -0.0156 0.0044 1116 GLU 6 OE1 -0.0233 -0.0114 0.0039 1117 GLU 6 OE2 -0.0280 -0.0171 0.0110 1118 GLU 7 N -0.0069 0.0053 -0.0093 1119 GLU 7 CA -0.0060 0.0052 -0.0085 1120 GLU 7 C 0.0016 0.0085 -0.0107 1121 GLU 7 O 0.0023 0.0105 -0.0149 1122 GLU 7 CB -0.0075 0.0031 -0.0048 1123 GLU 7 CG -0.0160 0.0001 -0.0038 1124 GLU 7 CD -0.0162 -0.0022 0.0013 1125 GLU 7 OE1 -0.0215 -0.0034 0.0004 1126 GLU 7 OE2 -0.0131 -0.0039 0.0074 1127 LYS 8 N 0.0061 0.0082 -0.0069 1128 LYS 8 CA 0.0125 0.0105 -0.0077 1129 LYS 8 C 0.0134 0.0136 -0.0142 1130 LYS 8 O 0.0175 0.0168 -0.0186 1131 LYS 8 CB 0.0170 0.0092 -0.0017 1132 LYS 8 CG 0.0208 0.0109 -0.0031 1133 LYS 8 CD 0.0286 0.0120 -0.0002 1134 LYS 8 CE 0.0343 0.0149 -0.0029 1135 LYS 8 NZ 0.0405 0.0156 -0.0002 1136 SER 9 N 0.0113 0.0143 -0.0172 1137 SER 9 CA 0.0118 0.0165 -0.0219 1138 SER 9 C 0.0089 0.0189 -0.0293 1139 SER 9 O 0.0119 0.0217 -0.0335 1140 SER 9 CB 0.0111 0.0171 -0.0237 1141 SER 9 OG 0.0048 0.0168 -0.0273 1142 ALA 10 N -0.0001 0.0113 -0.0135 1143 ALA 10 CA -0.0001 0.0114 -0.0132 1144 ALA 10 C 0.0011 0.0101 -0.0121 1145 ALA 10 O 0.0014 0.0097 -0.0123 1146 ALA 10 CB -0.0009 0.0122 -0.0118 1147 VAL 11 N 0.0016 0.0096 -0.0112 1148 VAL 11 CA 0.0027 0.0084 -0.0104 1149 VAL 11 C 0.0035 0.0075 -0.0117 1150 VAL 11 O 0.0041 0.0069 -0.0115 1151 VAL 11 CB 0.0028 0.0082 -0.0095 1152 VAL 11 CG1 0.0040 0.0070 -0.0090 1153 VAL 11 CG2 0.0022 0.0090 -0.0079 1154 THR 12 N 0.0035 0.0075 -0.0128 1155 THR 12 CA 0.0043 0.0065 -0.0141 1156 THR 12 C 0.0043 0.0066 -0.0151 1157 THR 12 O 0.0049 0.0058 -0.0155 1158 THR 12 CB 0.0043 0.0066 -0.0155 1159 THR 12 OG1 0.0045 0.0063 -0.0144 1160 THR 12 CG2 0.0041 0.0068 -0.0160 1161 ALA 13 N -0.0025 0.0018 -0.0059 1162 ALA 13 CA -0.0023 0.0011 -0.0055 1163 ALA 13 C -0.0016 0.0006 -0.0047 1164 ALA 13 O -0.0016 -0.0004 -0.0044 1165 ALA 13 CB -0.0022 0.0019 -0.0055 1166 LEU 14 N -0.0008 0.0013 -0.0041 1167 LEU 14 CA -0.0001 0.0006 -0.0033 1168 LEU 14 C -0.0003 -0.0002 -0.0032 1169 LEU 14 O 0.0001 -0.0009 -0.0027 1170 LEU 14 CB 0.0006 0.0018 -0.0028 1171 LEU 14 CG 0.0015 0.0015 -0.0019 1172 LEU 14 CD1 0.0017 0.0010 -0.0016 1173 LEU 14 CD2 0.0021 0.0023 -0.0016 1174 TRP 15 N -0.0007 0.0002 -0.0037 1175 TRP 15 CA -0.0008 -0.0005 -0.0036 1176 TRP 15 C -0.0013 -0.0017 -0.0038 1177 TRP 15 O -0.0011 -0.0025 -0.0034 1178 TRP 15 CB -0.0012 0.0001 -0.0041 1179 TRP 15 CG -0.0011 -0.0005 -0.0039 1180 TRP 15 CD1 -0.0016 -0.0012 -0.0043 1181 TRP 15 CD2 -0.0004 -0.0003 -0.0033 1182 TRP 15 NE1 -0.0014 -0.0015 -0.0039 1183 TRP 15 CE2 -0.0005 -0.0010 -0.0032 1184 TRP 15 CE3 0.0005 0.0004 -0.0026 1185 TRP 15 CZ2 0.0002 -0.0009 -0.0026 1186 TRP 15 CZ3 0.0011 0.0003 -0.0020 1187 TRP 15 CH2 0.0008 -0.0003 -0.0021 1188 GLY 16 N -0.0041 -0.0069 -0.0059 1189 GLY 16 CA -0.0054 -0.0098 -0.0061 1190 GLY 16 C -0.0042 -0.0114 -0.0038 1191 GLY 16 O -0.0051 -0.0141 -0.0036 1192 LYS 17 N -0.0024 -0.0103 -0.0021 1193 LYS 17 CA -0.0011 -0.0117 0.0001 1194 LYS 17 C -0.0001 -0.0124 0.0017 1195 LYS 17 O 0.0011 -0.0142 0.0040 1196 LYS 17 CB 0.0008 -0.0100 0.0016 1197 LYS 17 CG -0.0003 -0.0089 -0.0003 1198 LYS 17 CD 0.0011 -0.0075 0.0006 1199 LYS 17 CE 0.0003 -0.0059 -0.0011 1200 LYS 17 NZ 0.0023 -0.0055 0.0012 1201 VAL 18 N -0.0003 -0.0122 0.0013 1202 VAL 18 CA 0.0008 -0.0126 0.0028 1203 VAL 18 C -0.0003 -0.0157 0.0030 1204 VAL 18 O -0.0021 -0.0167 0.0013 1205 VAL 18 CB 0.0005 -0.0106 0.0015 1206 VAL 18 CG1 0.0012 -0.0115 0.0028 1207 VAL 18 CG2 0.0025 -0.0078 0.0025 1208 ASN 19 N -0.0030 -0.0218 0.0109 1209 ASN 19 CA -0.0050 -0.0242 0.0112 1210 ASN 19 C -0.0040 -0.0208 0.0100 1211 ASN 19 O -0.0000 -0.0197 0.0111 1212 ASN 19 CB -0.0021 -0.0279 0.0140 1213 ASN 19 CG -0.0032 -0.0294 0.0143 1214 ASN 19 OD1 -0.0053 -0.0285 0.0131 1215 ASN 19 ND2 -0.0026 -0.0339 0.0166 1216 VAL 20 N -0.0074 -0.0195 0.0081 1217 VAL 20 CA -0.0071 -0.0156 0.0064 1218 VAL 20 C -0.0054 -0.0165 0.0075 1219 VAL 20 O -0.0020 -0.0142 0.0078 1220 VAL 20 CB -0.0118 -0.0144 0.0040 1221 VAL 20 CG1 -0.0111 -0.0106 0.0026 1222 VAL 20 CG2 -0.0129 -0.0125 0.0028 1223 ASP 21 N -0.0055 -0.0200 0.0091 1224 ASP 21 CA -0.0039 -0.0211 0.0102 1225 ASP 21 C 0.0006 -0.0217 0.0122 1226 ASP 21 O 0.0033 -0.0195 0.0124 1227 ASP 21 CB -0.0063 -0.0253 0.0112 1228 ASP 21 CG -0.0118 -0.0255 0.0091 1229 ASP 21 OD1 -0.0119 -0.0218 0.0074 1230 ASP 21 OD2 -0.0124 -0.0295 0.0107 1231 GLU 22 N -0.0020 -0.0228 0.0068 1232 GLU 22 CA 0.0018 -0.0237 0.0078 1233 GLU 22 C 0.0035 -0.0200 0.0077 1234 GLU 22 O 0.0062 -0.0191 0.0082 1235 GLU 22 CB 0.0011 -0.0262 0.0080 1236 GLU 22 CG 0.0039 -0.0266 0.0087 1237 GLU 22 CD 0.0060 -0.0282 0.0094 1238 GLU 22 OE1 0.0020 -0.0281 0.0085 1239 GLU 22 OE2 0.0029 -0.0328 0.0093 1240 VAL 23 N 0.0012 -0.0185 0.0070 1241 VAL 23 CA 0.0023 -0.0152 0.0068 1242 VAL 23 C 0.0029 -0.0122 0.0065 1243 VAL 23 O 0.0055 -0.0099 0.0068 1244 VAL 23 CB -0.0003 -0.0139 0.0060 1245 VAL 23 CG1 0.0006 -0.0103 0.0057 1246 VAL 23 CG2 0.0003 -0.0171 0.0066 1247 GLY 24 N 0.0009 -0.0122 0.0061 1248 GLY 24 CA 0.0015 -0.0099 0.0059 1249 GLY 24 C 0.0048 -0.0099 0.0066 1250 GLY 24 O 0.0070 -0.0076 0.0068 1251 GLY 25 N 0.0016 -0.0120 0.0045 1252 GLY 25 CA 0.0026 -0.0122 0.0045 1253 GLY 25 C 0.0034 -0.0122 0.0044 1254 GLY 25 O 0.0042 -0.0118 0.0043 1255 GLU 26 N 0.0032 -0.0127 0.0044 1256 GLU 26 CA 0.0038 -0.0128 0.0043 1257 GLU 26 C 0.0039 -0.0117 0.0043 1258 GLU 26 O 0.0048 -0.0115 0.0042 1259 GLU 26 CB 0.0035 -0.0135 0.0044 1260 GLU 26 CG 0.0044 -0.0140 0.0043 1261 GLU 26 CD 0.0052 -0.0146 0.0042 1262 GLU 26 OE1 0.0042 -0.0147 0.0043 1263 GLU 26 OE2 0.0035 -0.0151 0.0044 1264 ALA 27 N 0.0031 -0.0113 0.0044 1265 ALA 27 CA 0.0033 -0.0103 0.0044 1266 ALA 27 C 0.0038 -0.0095 0.0043 1267 ALA 27 O 0.0044 -0.0089 0.0043 1268 ALA 27 CB 0.0023 -0.0100 0.0045 1269 LEU 28 N 0.0026 -0.0084 0.0046 1270 LEU 28 CA 0.0024 -0.0081 0.0043 1271 LEU 28 C 0.0019 -0.0081 0.0036 1272 LEU 28 O 0.0015 -0.0084 0.0031 1273 LEU 28 CB 0.0028 -0.0075 0.0047 1274 LEU 28 CG 0.0025 -0.0077 0.0043 1275 LEU 28 CD1 0.0027 -0.0084 0.0047 1276 LEU 28 CD2 0.0028 -0.0068 0.0047 1277 GLY 29 N 0.0017 -0.0075 0.0033 1278 GLY 29 CA 0.0012 -0.0073 0.0025 1279 GLY 29 C 0.0008 -0.0082 0.0021 1280 GLY 29 O 0.0003 -0.0083 0.0015 1281 ARG 30 N 0.0010 -0.0087 0.0024 1282 ARG 30 CA 0.0006 -0.0095 0.0020 1283 ARG 30 C 0.0006 -0.0102 0.0020 1284 ARG 30 O 0.0001 -0.0106 0.0015 1285 ARG 30 CB 0.0009 -0.0099 0.0024 1286 ARG 30 CG 0.0007 -0.0096 0.0021 1287 ARG 30 CD 0.0010 -0.0101 0.0025 1288 ARG 30 NE 0.0009 -0.0096 0.0025 1289 ARG 30 CZ 0.0006 -0.0097 0.0020 1290 ARG 30 NH1 0.0003 -0.0104 0.0016 1291 ARG 30 NH2 0.0006 -0.0092 0.0019 1292 LEU 31 N -0.0020 -0.0093 0.0008 1293 LEU 31 CA -0.0020 -0.0095 0.0010 1294 LEU 31 C -0.0020 -0.0094 0.0008 1295 LEU 31 O -0.0022 -0.0096 0.0009 1296 LEU 31 CB -0.0017 -0.0095 0.0014 1297 LEU 31 CG -0.0017 -0.0096 0.0016 1298 LEU 31 CD1 -0.0019 -0.0099 0.0017 1299 LEU 31 CD2 -0.0013 -0.0095 0.0019 1300 LEU 32 N -0.0018 -0.0091 0.0007 1301 LEU 32 CA -0.0018 -0.0090 0.0006 1302 LEU 32 C -0.0021 -0.0090 0.0003 1303 LEU 32 O -0.0022 -0.0090 0.0002 1304 LEU 32 CB -0.0015 -0.0087 0.0005 1305 LEU 32 CG -0.0012 -0.0086 0.0008 1306 LEU 32 CD1 -0.0012 -0.0088 0.0011 1307 LEU 32 CD2 -0.0010 -0.0083 0.0007 1308 VAL 33 N -0.0023 -0.0090 0.0001 1309 VAL 33 CA -0.0025 -0.0091 -0.0002 1310 VAL 33 C -0.0028 -0.0094 -0.0001 1311 VAL 33 O -0.0030 -0.0095 -0.0003 1312 VAL 33 CB -0.0026 -0.0089 -0.0005 1313 VAL 33 CG1 -0.0029 -0.0090 -0.0008 1314 VAL 33 CG2 -0.0024 -0.0086 -0.0006 1315 VAL 34 N -0.0014 -0.0048 0.0016 1316 VAL 34 CA -0.0007 -0.0044 0.0015 1317 VAL 34 C -0.0008 -0.0042 0.0008 1318 VAL 34 O -0.0004 -0.0039 0.0008 1319 VAL 34 CB -0.0006 -0.0042 0.0013 1320 VAL 34 CG1 0.0001 -0.0038 0.0011 1321 VAL 34 CG2 -0.0005 -0.0044 0.0019 1322 TYR 35 N -0.0013 -0.0043 0.0004 1323 TYR 35 CA -0.0014 -0.0041 -0.0001 1324 TYR 35 C -0.0020 -0.0044 -0.0002 1325 TYR 35 O -0.0024 -0.0045 -0.0005 1326 TYR 35 CB -0.0015 -0.0039 -0.0007 1327 TYR 35 CG -0.0010 -0.0037 -0.0007 1328 TYR 35 CD1 -0.0003 -0.0033 -0.0007 1329 TYR 35 CD2 -0.0010 -0.0037 -0.0006 1330 TYR 35 CE1 0.0001 -0.0031 -0.0007 1331 TYR 35 CE2 -0.0005 -0.0035 -0.0005 1332 TYR 35 CZ 0.0000 -0.0032 -0.0006 1333 TYR 35 OH 0.0006 -0.0030 -0.0004 1334 PRO 36 N -0.0019 -0.0045 0.0002 1335 PRO 36 CA -0.0024 -0.0048 0.0003 1336 PRO 36 C -0.0028 -0.0047 -0.0002 1337 PRO 36 O -0.0034 -0.0050 -0.0002 1338 PRO 36 CB -0.0023 -0.0049 0.0008 1339 PRO 36 CG -0.0016 -0.0046 0.0010 1340 PRO 36 CD -0.0014 -0.0044 0.0006 1341 TRP 37 N -0.0019 -0.0048 -0.0001 1342 TRP 37 CA -0.0021 -0.0048 -0.0003 1343 TRP 37 C -0.0025 -0.0049 -0.0007 1344 TRP 37 O -0.0026 -0.0050 -0.0008 1345 TRP 37 CB -0.0019 -0.0041 -0.0003 1346 TRP 37 CG -0.0021 -0.0038 -0.0005 1347 TRP 37 CD1 -0.0024 -0.0035 -0.0010 1348 TRP 37 CD2 -0.0019 -0.0035 -0.0004 1349 TRP 37 NE1 -0.0023 -0.0032 -0.0010 1350 TRP 37 CE2 -0.0021 -0.0031 -0.0007 1351 TRP 37 CE3 -0.0015 -0.0036 0.0000 1352 TRP 37 CZ2 -0.0020 -0.0028 -0.0007 1353 TRP 37 CZ3 -0.0015 -0.0032 0.0000 1354 TRP 37 CH2 -0.0017 -0.0029 -0.0003 1355 THR 38 N -0.0027 -0.0050 -0.0009 1356 THR 38 CA -0.0030 -0.0052 -0.0013 1357 THR 38 C -0.0031 -0.0058 -0.0012 1358 THR 38 O -0.0034 -0.0060 -0.0015 1359 THR 38 CB -0.0033 -0.0052 -0.0015 1360 THR 38 OG1 -0.0031 -0.0054 -0.0012 1361 THR 38 CG2 -0.0032 -0.0046 -0.0016 1362 GLN 39 N -0.0029 -0.0060 -0.0008 1363 GLN 39 CA -0.0028 -0.0066 -0.0007 1364 GLN 39 C -0.0029 -0.0067 -0.0008 1365 GLN 39 O -0.0031 -0.0071 -0.0008 1366 GLN 39 CB -0.0025 -0.0068 -0.0002 1367 GLN 39 CG -0.0025 -0.0068 -0.0002 1368 GLN 39 CD -0.0021 -0.0070 0.0003 1369 GLN 39 OE1 -0.0020 -0.0072 0.0005 1370 GLN 39 NE2 -0.0020 -0.0069 0.0004 1371 ARG 40 N 0.0025 -0.0048 0.0006 1372 ARG 40 CA 0.0025 -0.0040 0.0005 1373 ARG 40 C 0.0018 -0.0039 0.0009 1374 ARG 40 O 0.0019 -0.0034 0.0008 1375 ARG 40 CB 0.0025 -0.0036 0.0005 1376 ARG 40 CG 0.0019 -0.0035 0.0008 1377 ARG 40 CD 0.0020 -0.0032 0.0007 1378 ARG 40 NE 0.0023 -0.0026 0.0006 1379 ARG 40 CZ 0.0020 -0.0019 0.0007 1380 ARG 40 NH1 0.0015 -0.0020 0.0010 1381 ARG 40 NH2 0.0025 -0.0014 0.0004 1382 PHE 41 N 0.0014 -0.0041 0.0012 1383 PHE 41 CA 0.0008 -0.0038 0.0015 1384 PHE 41 C 0.0008 -0.0042 0.0015 1385 PHE 41 O 0.0004 -0.0040 0.0017 1386 PHE 41 CB 0.0003 -0.0042 0.0018 1387 PHE 41 CG 0.0003 -0.0039 0.0018 1388 PHE 41 CD1 0.0005 -0.0043 0.0017 1389 PHE 41 CD2 0.0001 -0.0031 0.0018 1390 PHE 41 CE1 0.0005 -0.0040 0.0017 1391 PHE 41 CE2 0.0001 -0.0029 0.0018 1392 PHE 41 CZ 0.0003 -0.0034 0.0017 1393 PHE 42 N 0.0012 -0.0046 0.0013 1394 PHE 42 CA 0.0011 -0.0051 0.0014 1395 PHE 42 C 0.0016 -0.0051 0.0011 1396 PHE 42 O 0.0017 -0.0055 0.0011 1397 PHE 42 CB 0.0011 -0.0059 0.0014 1398 PHE 42 CG 0.0006 -0.0059 0.0017 1399 PHE 42 CD1 0.0007 -0.0061 0.0017 1400 PHE 42 CD2 -0.0000 -0.0059 0.0021 1401 PHE 42 CE1 0.0001 -0.0061 0.0020 1402 PHE 42 CE2 -0.0005 -0.0058 0.0023 1403 PHE 42 CZ -0.0004 -0.0061 0.0023 1404 GLU 43 N 0.0050 -0.0081 0.0019 1405 GLU 43 CA 0.0045 -0.0075 0.0012 1406 GLU 43 C 0.0050 -0.0064 0.0012 1407 GLU 43 O 0.0050 -0.0056 0.0008 1408 GLU 43 CB 0.0043 -0.0080 0.0012 1409 GLU 43 CG 0.0045 -0.0082 0.0014 1410 GLU 43 CD 0.0035 -0.0091 0.0008 1411 GLU 43 OE1 0.0031 -0.0091 0.0004 1412 GLU 43 OE2 0.0042 -0.0089 0.0014 1413 SER 44 N 0.0058 -0.0063 0.0020 1414 SER 44 CA 0.0064 -0.0053 0.0021 1415 SER 44 C 0.0060 -0.0047 0.0016 1416 SER 44 O 0.0067 -0.0039 0.0019 1417 SER 44 CB 0.0071 -0.0054 0.0029 1418 SER 44 OG 0.0076 -0.0055 0.0035 1419 PHE 45 N 0.0060 -0.0051 0.0017 1420 PHE 45 CA 0.0061 -0.0047 0.0016 1421 PHE 45 C 0.0055 -0.0042 0.0008 1422 PHE 45 O 0.0055 -0.0038 0.0006 1423 PHE 45 CB 0.0060 -0.0056 0.0019 1424 PHE 45 CG 0.0068 -0.0059 0.0028 1425 PHE 45 CD1 0.0067 -0.0064 0.0029 1426 PHE 45 CD2 0.0072 -0.0060 0.0033 1427 PHE 45 CE1 0.0074 -0.0068 0.0039 1428 PHE 45 CE2 0.0079 -0.0062 0.0041 1429 PHE 45 CZ 0.0078 -0.0066 0.0042 1430 GLY 46 N 0.0067 -0.0072 -0.0000 1431 GLY 46 CA 0.0049 -0.0050 -0.0018 1432 GLY 46 C 0.0015 -0.0056 -0.0031 1433 GLY 46 O 0.0001 -0.0088 -0.0021 1434 ASP 47 N 0.0008 -0.0036 -0.0043 1435 ASP 47 CA -0.0030 -0.0041 -0.0057 1436 ASP 47 C -0.0033 -0.0052 -0.0053 1437 ASP 47 O -0.0011 -0.0042 -0.0049 1438 ASP 47 CB -0.0030 -0.0006 -0.0074 1439 ASP 47 CG -0.0062 -0.0004 -0.0088 1440 ASP 47 OD1 -0.0073 0.0018 -0.0104 1441 ASP 47 OD2 -0.0091 -0.0037 -0.0085 1442 LEU 48 N -0.0048 -0.0084 -0.0045 1443 LEU 48 CA -0.0057 -0.0107 -0.0038 1444 LEU 48 C -0.0093 -0.0111 -0.0052 1445 LEU 48 O -0.0103 -0.0132 -0.0046 1446 LEU 48 CB -0.0039 -0.0131 -0.0019 1447 LEU 48 CG -0.0006 -0.0124 -0.0008 1448 LEU 48 CD1 0.0009 -0.0156 0.0013 1449 LEU 48 CD2 0.0011 -0.0109 -0.0008 1450 SER 49 N -0.0175 -0.0110 -0.0080 1451 SER 49 CA -0.0221 -0.0140 -0.0102 1452 SER 49 C -0.0227 -0.0106 -0.0101 1453 SER 49 O -0.0258 -0.0149 -0.0118 1454 SER 49 CB -0.0265 -0.0101 -0.0116 1455 SER 49 OG -0.0251 -0.0041 -0.0105 1456 THR 50 N -0.0205 -0.0091 -0.0090 1457 THR 50 CA -0.0198 -0.0084 -0.0087 1458 THR 50 C -0.0149 -0.0081 -0.0066 1459 THR 50 O -0.0117 -0.0072 -0.0052 1460 THR 50 CB -0.0223 -0.0044 -0.0094 1461 THR 50 OG1 -0.0205 0.0006 -0.0082 1462 THR 50 CG2 -0.0283 -0.0027 -0.0117 1463 PRO 51 N -0.0147 -0.0080 -0.0066 1464 PRO 51 CA -0.0101 -0.0084 -0.0047 1465 PRO 51 C -0.0078 -0.0036 -0.0033 1466 PRO 51 O -0.0033 -0.0027 -0.0013 1467 PRO 51 CB -0.0107 -0.0090 -0.0050 1468 PRO 51 CG -0.0149 -0.0124 -0.0070 1469 PRO 51 CD -0.0182 -0.0105 -0.0082 1470 ASP 52 N -0.0131 -0.0013 -0.0068 1471 ASP 52 CA -0.0110 0.0020 -0.0076 1472 ASP 52 C -0.0081 0.0016 -0.0069 1473 ASP 52 O -0.0049 0.0029 -0.0068 1474 ASP 52 CB -0.0136 0.0049 -0.0091 1475 ASP 52 CG -0.0143 0.0073 -0.0102 1476 ASP 52 OD1 -0.0133 0.0063 -0.0096 1477 ASP 52 OD2 -0.0182 0.0071 -0.0108 1478 ALA 53 N -0.0095 -0.0005 -0.0064 1479 ALA 53 CA -0.0070 -0.0012 -0.0057 1480 ALA 53 C -0.0034 -0.0028 -0.0044 1481 ALA 53 O -0.0002 -0.0028 -0.0038 1482 ALA 53 CB -0.0089 -0.0030 -0.0054 1483 VAL 54 N -0.0043 -0.0057 -0.0035 1484 VAL 54 CA -0.0015 -0.0078 -0.0022 1485 VAL 54 C 0.0009 -0.0059 -0.0025 1486 VAL 54 O 0.0046 -0.0059 -0.0018 1487 VAL 54 CB -0.0034 -0.0115 -0.0013 1488 VAL 54 CG1 -0.0002 -0.0130 -0.0001 1489 VAL 54 CG2 -0.0062 -0.0136 -0.0010 1490 MET 55 N 0.0010 -0.0061 -0.0031 1491 MET 55 CA 0.0019 -0.0056 -0.0028 1492 MET 55 C 0.0033 -0.0039 -0.0032 1493 MET 55 O 0.0044 -0.0037 -0.0026 1494 MET 55 CB 0.0005 -0.0056 -0.0037 1495 MET 55 CG -0.0009 -0.0073 -0.0034 1496 MET 55 SD -0.0000 -0.0090 -0.0016 1497 MET 55 CE 0.0010 -0.0085 -0.0013 1498 GLY 56 N 0.0030 -0.0029 -0.0041 1499 GLY 56 CA 0.0044 -0.0011 -0.0045 1500 GLY 56 C 0.0055 -0.0010 -0.0038 1501 GLY 56 O 0.0070 0.0003 -0.0038 1502 ASN 57 N 0.0060 -0.0022 -0.0026 1503 ASN 57 CA 0.0070 -0.0022 -0.0020 1504 ASN 57 C 0.0087 -0.0021 -0.0009 1505 ASN 57 O 0.0092 -0.0031 0.0001 1506 ASN 57 CB 0.0065 -0.0038 -0.0012 1507 ASN 57 CG 0.0077 -0.0039 -0.0003 1508 ASN 57 OD1 0.0091 -0.0036 0.0005 1509 ASN 57 ND2 0.0069 -0.0041 -0.0007 1510 PRO 58 N 0.0103 -0.0019 -0.0028 1511 PRO 58 CA 0.0111 -0.0014 -0.0013 1512 PRO 58 C 0.0113 -0.0017 0.0010 1513 PRO 58 O 0.0114 -0.0019 0.0022 1514 PRO 58 CB 0.0126 0.0003 -0.0025 1515 PRO 58 CG 0.0125 0.0004 -0.0037 1516 PRO 58 CD 0.0114 -0.0004 -0.0048 1517 LYS 59 N 0.0115 -0.0016 0.0013 1518 LYS 59 CA 0.0119 -0.0017 0.0036 1519 LYS 59 C 0.0103 -0.0034 0.0045 1520 LYS 59 O 0.0103 -0.0038 0.0063 1521 LYS 59 CB 0.0126 -0.0011 0.0037 1522 LYS 59 CG 0.0143 0.0006 0.0038 1523 LYS 59 CD 0.0146 0.0011 0.0026 1524 LYS 59 CE 0.0173 0.0035 0.0035 1525 LYS 59 NZ 0.0171 0.0035 0.0024 1526 VAL 60 N 0.0092 -0.0042 0.0031 1527 VAL 60 CA 0.0076 -0.0058 0.0036 1528 VAL 60 C 0.0074 -0.0062 0.0045 1529 VAL 60 O 0.0068 -0.0071 0.0059 1530 VAL 60 CB 0.0063 -0.0068 0.0023 1531 VAL 60 CG1 0.0048 -0.0083 0.0025 1532 VAL 60 CG2 0.0066 -0.0065 0.0019 1533 LYS 61 N 0.0081 -0.0061 0.0041 1534 LYS 61 CA 0.0069 -0.0068 0.0041 1535 LYS 61 C 0.0067 -0.0062 0.0053 1536 LYS 61 O 0.0054 -0.0063 0.0063 1537 LYS 61 CB 0.0075 -0.0075 0.0025 1538 LYS 61 CG 0.0074 -0.0083 0.0013 1539 LYS 61 CD 0.0086 -0.0089 -0.0007 1540 LYS 61 CE 0.0073 -0.0103 -0.0017 1541 LYS 61 NZ 0.0085 -0.0107 -0.0035 1542 ALA 62 N 0.0080 -0.0052 0.0057 1543 ALA 62 CA 0.0078 -0.0045 0.0070 1544 ALA 62 C 0.0069 -0.0039 0.0087 1545 ALA 62 O 0.0061 -0.0038 0.0096 1546 ALA 62 CB 0.0095 -0.0034 0.0070 1547 HIS 63 N 0.0076 -0.0034 0.0088 1548 HIS 63 CA 0.0067 -0.0029 0.0104 1549 HIS 63 C 0.0048 -0.0040 0.0106 1550 HIS 63 O 0.0037 -0.0038 0.0119 1551 HIS 63 CB 0.0074 -0.0023 0.0107 1552 HIS 63 CG 0.0071 -0.0015 0.0123 1553 HIS 63 ND1 0.0070 -0.0006 0.0138 1554 HIS 63 CD2 0.0059 -0.0017 0.0131 1555 HIS 63 CE1 0.0061 -0.0002 0.0152 1556 HIS 63 NE2 0.0057 -0.0008 0.0148 1557 GLY 64 N 0.0077 -0.0030 0.0101 1558 GLY 64 CA 0.0071 -0.0037 0.0103 1559 GLY 64 C 0.0033 -0.0048 0.0106 1560 GLY 64 O 0.0011 -0.0042 0.0104 1561 LYS 65 N 0.0014 -0.0074 0.0112 1562 LYS 65 CA -0.0026 -0.0084 0.0115 1563 LYS 65 C -0.0060 -0.0055 0.0108 1564 LYS 65 O -0.0088 -0.0057 0.0108 1565 LYS 65 CB -0.0040 -0.0126 0.0125 1566 LYS 65 CG -0.0045 -0.0118 0.0123 1567 LYS 65 CD -0.0063 -0.0180 0.0138 1568 LYS 65 CE -0.0116 -0.0134 0.0127 1569 LYS 65 NZ -0.0127 -0.0173 0.0137 1570 LYS 66 N -0.0053 -0.0030 0.0102 1571 LYS 66 CA -0.0079 -0.0006 0.0096 1572 LYS 66 C -0.0079 0.0031 0.0087 1573 LYS 66 O -0.0112 0.0045 0.0084 1574 LYS 66 CB -0.0073 0.0023 0.0089 1575 LYS 66 CG -0.0095 0.0058 0.0081 1576 LYS 66 CD -0.0087 0.0076 0.0076 1577 LYS 66 CE -0.0157 0.0068 0.0078 1578 LYS 66 NZ -0.0154 0.0106 0.0069 1579 VAL 67 N -0.0035 0.0083 0.0062 1580 VAL 67 CA -0.0037 0.0094 0.0062 1581 VAL 67 C -0.0046 0.0084 0.0063 1582 VAL 67 O -0.0060 0.0091 0.0064 1583 VAL 67 CB -0.0017 0.0101 0.0061 1584 VAL 67 CG1 -0.0014 0.0104 0.0060 1585 VAL 67 CG2 -0.0008 0.0111 0.0060 1586 LEU 68 N -0.0042 0.0068 0.0064 1587 LEU 68 CA -0.0052 0.0058 0.0065 1588 LEU 68 C -0.0073 0.0056 0.0066 1589 LEU 68 O -0.0085 0.0052 0.0067 1590 LEU 68 CB -0.0043 0.0043 0.0065 1591 LEU 68 CG -0.0037 0.0039 0.0065 1592 LEU 68 CD1 -0.0049 0.0024 0.0066 1593 LEU 68 CD2 -0.0031 0.0052 0.0064 1594 GLY 69 N -0.0079 0.0052 0.0067 1595 GLY 69 CA -0.0095 0.0050 0.0068 1596 GLY 69 C -0.0110 0.0066 0.0068 1597 GLY 69 O -0.0123 0.0066 0.0069 1598 ALA 70 N -0.0136 0.0182 0.0030 1599 ALA 70 CA -0.0125 0.0171 0.0012 1600 ALA 70 C -0.0094 0.0157 0.0009 1601 ALA 70 O -0.0076 0.0149 0.0007 1602 ALA 70 CB -0.0140 0.0166 -0.0015 1603 PHE 71 N -0.0088 0.0154 0.0006 1604 PHE 71 CA -0.0060 0.0142 0.0006 1605 PHE 71 C -0.0042 0.0146 0.0033 1606 PHE 71 O -0.0022 0.0137 0.0029 1607 PHE 71 CB -0.0062 0.0143 0.0005 1608 PHE 71 CG -0.0034 0.0131 0.0004 1609 PHE 71 CD1 -0.0025 0.0118 -0.0020 1610 PHE 71 CD2 -0.0015 0.0134 0.0029 1611 PHE 71 CE1 0.0002 0.0106 -0.0024 1612 PHE 71 CE2 0.0008 0.0123 0.0023 1613 PHE 71 CZ 0.0017 0.0109 -0.0003 1614 SER 72 N -0.0049 0.0157 0.0052 1615 SER 72 CA -0.0037 0.0164 0.0082 1616 SER 72 C -0.0028 0.0159 0.0078 1617 SER 72 O -0.0004 0.0152 0.0087 1618 SER 72 CB -0.0051 0.0179 0.0106 1619 SER 72 OG -0.0039 0.0184 0.0131 1620 ASP 73 N 0.0006 0.0223 0.0093 1621 ASP 73 CA 0.0017 0.0218 0.0096 1622 ASP 73 C 0.0036 0.0196 0.0078 1623 ASP 73 O 0.0063 0.0183 0.0081 1624 ASP 73 CB -0.0021 0.0235 0.0087 1625 ASP 73 CG -0.0040 0.0267 0.0121 1626 ASP 73 OD1 -0.0028 0.0279 0.0152 1627 ASP 73 OD2 -0.0065 0.0276 0.0113 1628 GLY 74 N 0.0036 0.0176 0.0045 1629 GLY 74 CA 0.0057 0.0153 0.0026 1630 GLY 74 C 0.0091 0.0139 0.0035 1631 GLY 74 O 0.0122 0.0119 0.0031 1632 LEU 75 N 0.0101 0.0151 0.0066 1633 LEU 75 CA 0.0134 0.0141 0.0079 1634 LEU 75 C 0.0155 0.0143 0.0103 1635 LEU 75 O 0.0186 0.0130 0.0111 1636 LEU 75 CB 0.0137 0.0155 0.0105 1637 LEU 75 CG 0.0118 0.0156 0.0088 1638 LEU 75 CD1 0.0116 0.0169 0.0108 1639 LEU 75 CD2 0.0129 0.0131 0.0058 1640 ALA 76 N 0.0253 0.0223 0.0164 1641 ALA 76 CA 0.0284 0.0221 0.0182 1642 ALA 76 C 0.0305 0.0193 0.0170 1643 ALA 76 O 0.0329 0.0186 0.0180 1644 ALA 76 CB 0.0271 0.0249 0.0199 1645 HIS 77 N 0.0285 0.0164 0.0131 1646 HIS 77 CA 0.0297 0.0134 0.0113 1647 HIS 77 C 0.0302 0.0105 0.0090 1648 HIS 77 O 0.0293 0.0081 0.0063 1649 HIS 77 CB 0.0263 0.0139 0.0095 1650 HIS 77 CG 0.0256 0.0173 0.0121 1651 HIS 77 ND1 0.0231 0.0208 0.0136 1652 HIS 77 CD2 0.0298 0.0165 0.0141 1653 HIS 77 CE1 0.0245 0.0216 0.0153 1654 HIS 77 NE2 0.0277 0.0199 0.0158 1655 LEU 78 N 0.0320 0.0102 0.0099 1656 LEU 78 CA 0.0319 0.0077 0.0076 1657 LEU 78 C 0.0352 0.0040 0.0064 1658 LEU 78 O 0.0338 0.0019 0.0036 1659 LEU 78 CB 0.0346 0.0078 0.0094 1660 LEU 78 CG 0.0310 0.0104 0.0094 1661 LEU 78 CD1 0.0331 0.0122 0.0124 1662 LEU 78 CD2 0.0273 0.0102 0.0069 1663 ASP 79 N 0.0514 0.0054 0.0116 1664 ASP 79 CA 0.0589 -0.0013 0.0067 1665 ASP 79 C 0.0509 -0.0041 -0.0010 1666 ASP 79 O 0.0523 -0.0074 -0.0046 1667 ASP 79 CB 0.0617 0.0020 0.0125 1668 ASP 79 CG 0.0673 0.0040 0.0180 1669 ASP 79 OD1 0.0713 0.0064 0.0231 1670 ASP 79 OD2 0.0751 0.0001 0.0169 1671 ASN 80 N 0.0410 0.0005 -0.0002 1672 ASN 80 CA 0.0338 -0.0017 -0.0067 1673 ASN 80 C 0.0230 0.0021 -0.0073 1674 ASN 80 O 0.0174 0.0044 -0.0071 1675 ASN 80 CB 0.0345 0.0006 -0.0034 1676 ASN 80 CG 0.0289 -0.0025 -0.0103 1677 ASN 80 OD1 0.0260 -0.0073 -0.0180 1678 ASN 80 ND2 0.0238 0.0035 -0.0052 1679 LEU 81 N 0.0227 0.0000 -0.0102 1680 LEU 81 CA 0.0108 0.0028 -0.0126 1681 LEU 81 C 0.0049 0.0007 -0.0184 1682 LEU 81 O -0.0035 0.0030 -0.0198 1683 LEU 81 CB 0.0132 0.0021 -0.0124 1684 LEU 81 CG 0.0177 0.0052 -0.0060 1685 LEU 81 CD1 0.0198 0.0028 -0.0081 1686 LEU 81 CD2 0.0122 0.0127 0.0008 1687 LYS 82 N 0.0079 0.0115 -0.0242 1688 LYS 82 CA 0.0042 0.0084 -0.0263 1689 LYS 82 C 0.0014 0.0059 -0.0278 1690 LYS 82 O -0.0026 0.0032 -0.0276 1691 LYS 82 CB 0.0077 0.0094 -0.0311 1692 LYS 82 CG 0.0089 0.0106 -0.0300 1693 LYS 82 CD 0.0120 0.0112 -0.0355 1694 LYS 82 CE 0.0102 0.0096 -0.0367 1695 LYS 82 NZ 0.0134 0.0094 -0.0455 1696 GLY 83 N 0.0027 0.0063 -0.0299 1697 GLY 83 CA -0.0014 0.0030 -0.0313 1698 GLY 83 C -0.0041 0.0024 -0.0267 1699 GLY 83 O -0.0082 -0.0006 -0.0274 1700 THR 84 N -0.0021 0.0050 -0.0226 1701 THR 84 CA -0.0045 0.0048 -0.0174 1702 THR 84 C -0.0087 0.0023 -0.0158 1703 THR 84 O -0.0121 0.0007 -0.0134 1704 THR 84 CB -0.0021 0.0078 -0.0128 1705 THR 84 OG1 0.0012 0.0093 -0.0156 1706 THR 84 CG2 -0.0044 0.0073 -0.0090 1707 PHE 85 N -0.0093 0.0036 -0.0216 1708 PHE 85 CA -0.0095 0.0020 -0.0173 1709 PHE 85 C -0.0106 0.0001 -0.0187 1710 PHE 85 O -0.0106 -0.0008 -0.0154 1711 PHE 85 CB -0.0074 0.0051 -0.0130 1712 PHE 85 CG -0.0068 0.0057 -0.0108 1713 PHE 85 CD1 -0.0050 0.0096 -0.0113 1714 PHE 85 CD2 -0.0082 0.0020 -0.0081 1715 PHE 85 CE1 -0.0047 0.0094 -0.0089 1716 PHE 85 CE2 -0.0073 0.0032 -0.0058 1717 PHE 85 CZ -0.0058 0.0065 -0.0061 1718 ALA 86 N -0.0112 0.0002 -0.0231 1719 ALA 86 CA -0.0122 -0.0013 -0.0248 1720 ALA 86 C -0.0139 -0.0055 -0.0229 1721 ALA 86 O -0.0140 -0.0062 -0.0208 1722 ALA 86 CB -0.0128 -0.0010 -0.0304 1723 THR 87 N -0.0156 -0.0088 -0.0234 1724 THR 87 CA -0.0173 -0.0128 -0.0214 1725 THR 87 C -0.0169 -0.0135 -0.0156 1726 THR 87 O -0.0175 -0.0153 -0.0137 1727 THR 87 CB -0.0196 -0.0173 -0.0218 1728 THR 87 OG1 -0.0203 -0.0174 -0.0265 1729 THR 87 CG2 -0.0221 -0.0224 -0.0220 1730 LEU 88 N -0.0104 -0.0121 -0.0124 1731 LEU 88 CA -0.0079 -0.0127 -0.0089 1732 LEU 88 C -0.0066 -0.0093 -0.0054 1733 LEU 88 O -0.0042 -0.0102 -0.0023 1734 LEU 88 CB -0.0084 -0.0132 -0.0099 1735 LEU 88 CG -0.0090 -0.0175 -0.0127 1736 LEU 88 CD1 -0.0090 -0.0169 -0.0124 1737 LEU 88 CD2 -0.0061 -0.0207 -0.0097 1738 SER 89 N -0.0084 -0.0051 -0.0063 1739 SER 89 CA -0.0072 -0.0015 -0.0030 1740 SER 89 C -0.0053 -0.0027 -0.0007 1741 SER 89 O -0.0029 -0.0027 0.0029 1742 SER 89 CB -0.0098 0.0025 -0.0052 1743 SER 89 OG -0.0086 0.0061 -0.0017 1744 GLU 90 N -0.0067 -0.0037 -0.0032 1745 GLU 90 CA -0.0052 -0.0058 -0.0018 1746 GLU 90 C -0.0024 -0.0092 0.0008 1747 GLU 90 O -0.0003 -0.0089 0.0041 1748 GLU 90 CB -0.0072 -0.0067 -0.0053 1749 GLU 90 CG -0.0091 -0.0029 -0.0065 1750 GLU 90 CD -0.0115 -0.0031 -0.0102 1751 GLU 90 OE1 -0.0102 -0.0047 -0.0089 1752 GLU 90 OE2 -0.0136 -0.0041 -0.0136 1753 LEU 91 N 0.0032 -0.0079 0.0001 1754 LEU 91 CA 0.0069 -0.0103 0.0001 1755 LEU 91 C 0.0075 -0.0094 0.0027 1756 LEU 91 O 0.0107 -0.0104 0.0052 1757 LEU 91 CB 0.0067 -0.0126 -0.0051 1758 LEU 91 CG 0.0104 -0.0151 -0.0055 1759 LEU 91 CD1 0.0146 -0.0174 -0.0044 1760 LEU 91 CD2 0.0104 -0.0169 -0.0093 1761 HIS 92 N 0.0036 -0.0075 0.0013 1762 HIS 92 CA 0.0044 -0.0071 0.0034 1763 HIS 92 C 0.0046 -0.0046 0.0091 1764 HIS 92 O 0.0067 -0.0048 0.0115 1765 HIS 92 CB -0.0000 -0.0051 0.0015 1766 HIS 92 CG 0.0003 -0.0075 -0.0032 1767 HIS 92 ND1 -0.0011 -0.0086 -0.0075 1768 HIS 92 CD2 0.0009 -0.0086 -0.0047 1769 HIS 92 CE1 -0.0002 -0.0108 -0.0109 1770 HIS 92 NE2 0.0004 -0.0102 -0.0090 1771 CYS 93 N 0.0029 -0.0027 0.0107 1772 CYS 93 CA 0.0038 -0.0010 0.0156 1773 CYS 93 C 0.0086 -0.0031 0.0177 1774 CYS 93 O 0.0105 -0.0030 0.0206 1775 CYS 93 CB 0.0003 0.0016 0.0162 1776 CYS 93 SG 0.0010 0.0042 0.0228 1777 ASP 94 N 0.0116 -0.0046 0.0213 1778 ASP 94 CA 0.0173 -0.0057 0.0259 1779 ASP 94 C 0.0218 -0.0052 0.0216 1780 ASP 94 O 0.0261 -0.0060 0.0246 1781 ASP 94 CB 0.0215 -0.0062 0.0275 1782 ASP 94 CG 0.0183 -0.0069 0.0330 1783 ASP 94 OD1 0.0143 -0.0071 0.0355 1784 ASP 94 OD2 0.0204 -0.0068 0.0316 1785 LYS 95 N 0.0232 -0.0042 0.0151 1786 LYS 95 CA 0.0273 -0.0040 0.0122 1787 LYS 95 C 0.0255 -0.0032 0.0081 1788 LYS 95 O 0.0272 -0.0032 0.0078 1789 LYS 95 CB 0.0322 -0.0034 0.0071 1790 LYS 95 CG 0.0364 -0.0043 0.0110 1791 LYS 95 CD 0.0410 -0.0055 0.0162 1792 LYS 95 CE 0.0463 -0.0062 0.0186 1793 LYS 95 NZ 0.0503 -0.0073 0.0236 1794 LEU 96 N 0.0190 -0.0021 0.0040 1795 LEU 96 CA 0.0158 -0.0014 0.0005 1796 LEU 96 C 0.0106 -0.0015 0.0035 1797 LEU 96 O 0.0093 -0.0011 0.0010 1798 LEU 96 CB 0.0138 -0.0001 -0.0062 1799 LEU 96 CG 0.0183 0.0003 -0.0102 1800 LEU 96 CD1 0.0139 0.0015 -0.0162 1801 LEU 96 CD2 0.0240 0.0004 -0.0128 1802 HIS 97 N -0.0007 0.0025 0.0087 1803 HIS 97 CA -0.0006 0.0021 0.0082 1804 HIS 97 C -0.0010 0.0007 0.0072 1805 HIS 97 O -0.0007 0.0004 0.0061 1806 HIS 97 CB 0.0003 0.0031 0.0074 1807 HIS 97 CG 0.0008 0.0047 0.0082 1808 HIS 97 ND1 0.0004 0.0051 0.0096 1809 HIS 97 CD2 0.0015 0.0055 0.0078 1810 HIS 97 CE1 0.0009 0.0063 0.0101 1811 HIS 97 NE2 0.0016 0.0066 0.0090 1812 VAL 98 N -0.0019 -0.0003 0.0078 1813 VAL 98 CA -0.0022 -0.0017 0.0068 1814 VAL 98 C -0.0030 -0.0026 0.0074 1815 VAL 98 O -0.0037 -0.0028 0.0086 1816 VAL 98 CB -0.0027 -0.0024 0.0070 1817 VAL 98 CG1 -0.0031 -0.0038 0.0062 1818 VAL 98 CG2 -0.0019 -0.0016 0.0063 1819 ASP 99 N -0.0029 -0.0031 0.0065 1820 ASP 99 CA -0.0035 -0.0038 0.0068 1821 ASP 99 C -0.0043 -0.0051 0.0071 1822 ASP 99 O -0.0044 -0.0059 0.0063 1823 ASP 99 CB -0.0031 -0.0044 0.0055 1824 ASP 99 CG -0.0038 -0.0055 0.0056 1825 ASP 99 OD1 -0.0033 -0.0056 0.0045 1826 ASP 99 OD2 -0.0046 -0.0059 0.0067 1827 PRO 100 N -0.0028 -0.0013 0.0064 1828 PRO 100 CA -0.0036 -0.0021 0.0066 1829 PRO 100 C -0.0037 -0.0029 0.0061 1830 PRO 100 O -0.0042 -0.0036 0.0060 1831 PRO 100 CB -0.0042 -0.0019 0.0074 1832 PRO 100 CG -0.0038 -0.0009 0.0077 1833 PRO 100 CD -0.0030 -0.0006 0.0071 1834 GLU 101 N -0.0032 -0.0029 0.0056 1835 GLU 101 CA -0.0031 -0.0037 0.0050 1836 GLU 101 C -0.0030 -0.0042 0.0044 1837 GLU 101 O -0.0033 -0.0050 0.0042 1838 GLU 101 CB -0.0027 -0.0036 0.0046 1839 GLU 101 CG -0.0026 -0.0043 0.0040 1840 GLU 101 CD -0.0037 -0.0049 0.0046 1841 GLU 101 OE1 -0.0039 -0.0044 0.0052 1842 GLU 101 OE2 -0.0034 -0.0055 0.0039 1843 ASN 102 N -0.0025 -0.0037 0.0043 1844 ASN 102 CA -0.0024 -0.0043 0.0038 1845 ASN 102 C -0.0031 -0.0047 0.0041 1846 ASN 102 O -0.0031 -0.0055 0.0037 1847 ASN 102 CB -0.0019 -0.0036 0.0038 1848 ASN 102 CG -0.0010 -0.0032 0.0033 1849 ASN 102 OD1 -0.0007 -0.0035 0.0027 1850 ASN 102 ND2 -0.0008 -0.0023 0.0037 1851 PHE 103 N -0.0026 -0.0010 0.0014 1852 PHE 103 CA -0.0033 -0.0011 0.0010 1853 PHE 103 C -0.0034 -0.0011 0.0010 1854 PHE 103 O -0.0038 -0.0015 0.0007 1855 PHE 103 CB -0.0040 -0.0008 0.0008 1856 PHE 103 CG -0.0039 -0.0008 0.0008 1857 PHE 103 CD1 -0.0035 -0.0016 0.0008 1858 PHE 103 CD2 -0.0041 -0.0002 0.0009 1859 PHE 103 CE1 -0.0033 -0.0016 0.0008 1860 PHE 103 CE2 -0.0039 -0.0003 0.0010 1861 PHE 103 CZ -0.0036 -0.0011 0.0009 1862 ARG 104 N -0.0032 -0.0003 0.0013 1863 ARG 104 CA -0.0034 -0.0002 0.0012 1864 ARG 104 C -0.0029 -0.0007 0.0013 1865 ARG 104 O -0.0031 -0.0010 0.0011 1866 ARG 104 CB -0.0032 0.0008 0.0016 1867 ARG 104 CG -0.0038 0.0014 0.0016 1868 ARG 104 CD -0.0036 0.0024 0.0019 1869 ARG 104 NE -0.0041 0.0027 0.0018 1870 ARG 104 CZ -0.0040 0.0038 0.0022 1871 ARG 104 NH1 -0.0031 0.0042 0.0027 1872 ARG 104 NH2 -0.0051 0.0044 0.0018 1873 LEU 105 N -0.0021 -0.0009 0.0016 1874 LEU 105 CA -0.0016 -0.0015 0.0017 1875 LEU 105 C -0.0019 -0.0023 0.0013 1876 LEU 105 O -0.0019 -0.0027 0.0012 1877 LEU 105 CB -0.0008 -0.0016 0.0021 1878 LEU 105 CG -0.0003 -0.0008 0.0025 1879 LEU 105 CD1 0.0004 -0.0010 0.0028 1880 LEU 105 CD2 -0.0001 -0.0006 0.0027 1881 LEU 106 N -0.0000 -0.0005 -0.0003 1882 LEU 106 CA -0.0004 -0.0013 -0.0002 1883 LEU 106 C -0.0003 -0.0007 -0.0007 1884 LEU 106 O -0.0002 -0.0009 -0.0002 1885 LEU 106 CB -0.0011 -0.0021 -0.0008 1886 LEU 106 CG -0.0016 -0.0030 -0.0008 1887 LEU 106 CD1 -0.0013 -0.0035 0.0003 1888 LEU 106 CD2 -0.0022 -0.0035 -0.0015 1889 GLY 107 N -0.0003 0.0001 -0.0015 1890 GLY 107 CA -0.0002 0.0007 -0.0020 1891 GLY 107 C 0.0005 0.0013 -0.0012 1892 GLY 107 O 0.0005 0.0013 -0.0011 1893 ASN 108 N 0.0011 0.0017 -0.0005 1894 ASN 108 CA 0.0017 0.0022 0.0002 1895 ASN 108 C 0.0017 0.0014 0.0012 1896 ASN 108 O 0.0020 0.0016 0.0015 1897 ASN 108 CB 0.0022 0.0028 0.0007 1898 ASN 108 CG 0.0024 0.0040 -0.0003 1899 ASN 108 OD1 0.0021 0.0042 -0.0010 1900 ASN 108 ND2 0.0027 0.0041 0.0002 1901 VAL 109 N 0.0023 -0.0015 0.0007 1902 VAL 109 CA 0.0023 -0.0019 0.0011 1903 VAL 109 C 0.0021 -0.0021 0.0007 1904 VAL 109 O 0.0022 -0.0021 0.0009 1905 VAL 109 CB 0.0022 -0.0026 0.0014 1906 VAL 109 CG1 0.0021 -0.0030 0.0017 1907 VAL 109 CG2 0.0024 -0.0024 0.0020 1908 LEU 110 N 0.0019 -0.0022 0.0000 1909 LEU 110 CA 0.0017 -0.0023 -0.0005 1910 LEU 110 C 0.0019 -0.0017 -0.0005 1911 LEU 110 O 0.0019 -0.0018 -0.0005 1912 LEU 110 CB 0.0015 -0.0025 -0.0011 1913 LEU 110 CG 0.0014 -0.0027 -0.0017 1914 LEU 110 CD1 0.0013 -0.0032 -0.0015 1915 LEU 110 CD2 0.0011 -0.0028 -0.0024 1916 VAL 111 N 0.0020 -0.0011 -0.0006 1917 VAL 111 CA 0.0022 -0.0004 -0.0007 1918 VAL 111 C 0.0023 -0.0005 -0.0001 1919 VAL 111 O 0.0024 -0.0003 -0.0000 1920 VAL 111 CB 0.0023 0.0001 -0.0008 1921 VAL 111 CG1 0.0024 0.0008 -0.0007 1922 VAL 111 CG2 0.0021 0.0001 -0.0016 1923 CYS 112 N 0.0040 -0.0039 0.0006 1924 CYS 112 CA 0.0048 -0.0043 0.0015 1925 CYS 112 C 0.0043 -0.0057 0.0017 1926 CYS 112 O 0.0046 -0.0060 0.0021 1927 CYS 112 CB 0.0055 -0.0044 0.0022 1928 CYS 112 SG 0.0062 -0.0028 0.0022 1929 VAL 113 N 0.0037 -0.0062 0.0014 1930 VAL 113 CA 0.0032 -0.0074 0.0015 1931 VAL 113 C 0.0026 -0.0075 0.0010 1932 VAL 113 O 0.0027 -0.0084 0.0015 1933 VAL 113 CB 0.0025 -0.0082 0.0013 1934 VAL 113 CG1 0.0020 -0.0093 0.0013 1935 VAL 113 CG2 0.0031 -0.0084 0.0019 1936 LEU 114 N 0.0021 -0.0069 0.0002 1937 LEU 114 CA 0.0016 -0.0069 -0.0002 1938 LEU 114 C 0.0023 -0.0067 0.0004 1939 LEU 114 O 0.0020 -0.0072 0.0003 1940 LEU 114 CB 0.0010 -0.0063 -0.0011 1941 LEU 114 CG 0.0001 -0.0066 -0.0018 1942 LEU 114 CD1 -0.0003 -0.0057 -0.0026 1943 LEU 114 CD2 -0.0005 -0.0078 -0.0019 1944 ALA 115 N 0.0030 -0.0082 -0.0010 1945 ALA 115 CA 0.0040 -0.0075 -0.0001 1946 ALA 115 C 0.0043 -0.0088 0.0013 1947 ALA 115 O 0.0046 -0.0088 0.0018 1948 ALA 115 CB 0.0048 -0.0063 -0.0000 1949 HIS 116 N 0.0042 -0.0096 0.0019 1950 HIS 116 CA 0.0047 -0.0107 0.0034 1951 HIS 116 C 0.0038 -0.0118 0.0031 1952 HIS 116 O 0.0041 -0.0124 0.0040 1953 HIS 116 CB 0.0046 -0.0114 0.0039 1954 HIS 116 CG 0.0051 -0.0124 0.0053 1955 HIS 116 ND1 0.0043 -0.0140 0.0057 1956 HIS 116 CD2 0.0060 -0.0123 0.0066 1957 HIS 116 CE1 0.0052 -0.0145 0.0072 1958 HIS 116 NE2 0.0061 -0.0136 0.0077 1959 HIS 117 N 0.0026 -0.0124 0.0021 1960 HIS 117 CA 0.0018 -0.0134 0.0017 1961 HIS 117 C 0.0017 -0.0130 0.0013 1962 HIS 117 O 0.0015 -0.0138 0.0017 1963 HIS 117 CB 0.0004 -0.0140 0.0004 1964 HIS 117 CG -0.0003 -0.0155 0.0008 1965 HIS 117 ND1 0.0007 -0.0152 0.0019 1966 HIS 117 CD2 -0.0014 -0.0171 0.0006 1967 HIS 117 CE1 -0.0001 -0.0170 0.0023 1968 HIS 117 NE2 -0.0013 -0.0176 0.0012 1969 PHE 118 N 0.0061 -0.0098 -0.0033 1970 PHE 118 CA 0.0036 -0.0100 -0.0039 1971 PHE 118 C 0.0034 -0.0104 -0.0041 1972 PHE 118 O 0.0014 -0.0113 -0.0050 1973 PHE 118 CB 0.0019 -0.0086 -0.0033 1974 PHE 118 CG 0.0016 -0.0090 -0.0036 1975 PHE 118 CD1 0.0026 -0.0075 -0.0025 1976 PHE 118 CD2 0.0009 -0.0110 -0.0049 1977 PHE 118 CE1 0.0023 -0.0077 -0.0027 1978 PHE 118 CE2 0.0003 -0.0107 -0.0048 1979 PHE 118 CZ 0.0017 -0.0100 -0.0042 1980 GLY 119 N 0.0051 -0.0097 -0.0034 1981 GLY 119 CA 0.0050 -0.0101 -0.0037 1982 GLY 119 C 0.0026 -0.0090 -0.0034 1983 GLY 119 O 0.0014 -0.0071 -0.0025 1984 LYS 120 N 0.0013 -0.0102 -0.0043 1985 LYS 120 CA -0.0010 -0.0092 -0.0041 1986 LYS 120 C -0.0035 -0.0088 -0.0042 1987 LYS 120 O -0.0050 -0.0073 -0.0036 1988 LYS 120 CB -0.0022 -0.0110 -0.0054 1989 LYS 120 CG -0.0033 -0.0127 -0.0065 1990 LYS 120 CD -0.0043 -0.0143 -0.0076 1991 LYS 120 CE -0.0056 -0.0160 -0.0088 1992 LYS 120 NZ -0.0072 -0.0174 -0.0099 1993 GLU 121 N -0.0010 -0.0091 -0.0061 1994 GLU 121 CA -0.0028 -0.0085 -0.0071 1995 GLU 121 C -0.0029 -0.0062 -0.0069 1996 GLU 121 O -0.0047 -0.0050 -0.0078 1997 GLU 121 CB -0.0039 -0.0109 -0.0079 1998 GLU 121 CG -0.0057 -0.0110 -0.0088 1999 GLU 121 CD -0.0062 -0.0138 -0.0093 2000 GLU 121 OE1 -0.0090 -0.0125 -0.0107 2001 GLU 121 OE2 -0.0059 -0.0151 -0.0092 2002 PHE 122 N -0.0009 -0.0056 -0.0059 2003 PHE 122 CA -0.0009 -0.0034 -0.0057 2004 PHE 122 C -0.0006 -0.0012 -0.0054 2005 PHE 122 O 0.0011 -0.0003 -0.0044 2006 PHE 122 CB 0.0012 -0.0040 -0.0046 2007 PHE 122 CG 0.0009 -0.0022 -0.0046 2008 PHE 122 CD1 -0.0007 -0.0023 -0.0055 2009 PHE 122 CD2 0.0025 -0.0007 -0.0037 2010 PHE 122 CE1 -0.0009 -0.0009 -0.0055 2011 PHE 122 CE2 0.0024 0.0010 -0.0036 2012 PHE 122 CZ 0.0005 0.0008 -0.0046 2013 THR 123 N -0.0023 -0.0006 -0.0062 2014 THR 123 CA -0.0022 0.0013 -0.0061 2015 THR 123 C -0.0016 0.0040 -0.0056 2016 THR 123 O -0.0022 0.0041 -0.0059 2017 THR 123 CB -0.0042 0.0016 -0.0071 2018 THR 123 OG1 -0.0060 0.0020 -0.0080 2019 THR 123 CG2 -0.0047 -0.0008 -0.0076 2020 PRO 124 N -0.0012 0.0040 -0.0069 2021 PRO 124 CA -0.0010 0.0058 -0.0064 2022 PRO 124 C -0.0024 0.0064 -0.0068 2023 PRO 124 O -0.0021 0.0073 -0.0065 2024 PRO 124 CB -0.0008 0.0066 -0.0062 2025 PRO 124 CG -0.0000 0.0052 -0.0062 2026 PRO 124 CD -0.0008 0.0035 -0.0068 2027 PRO 125 N -0.0037 0.0062 -0.0073 2028 PRO 125 CA -0.0051 0.0067 -0.0076 2029 PRO 125 C -0.0051 0.0062 -0.0078 2030 PRO 125 O -0.0055 0.0071 -0.0077 2031 PRO 125 CB -0.0066 0.0064 -0.0082 2032 PRO 125 CG -0.0061 0.0061 -0.0081 2033 PRO 125 CD -0.0046 0.0053 -0.0077 2034 VAL 126 N -0.0047 0.0048 -0.0079 2035 VAL 126 CA -0.0045 0.0041 -0.0080 2036 VAL 126 C -0.0031 0.0046 -0.0074 2037 VAL 126 O -0.0034 0.0051 -0.0074 2038 VAL 126 CB -0.0042 0.0022 -0.0083 2039 VAL 126 CG1 -0.0041 0.0016 -0.0084 2040 VAL 126 CG2 -0.0056 0.0015 -0.0089 2041 GLN 127 N -0.0016 0.0026 -0.0060 2042 GLN 127 CA -0.0005 0.0032 -0.0050 2043 GLN 127 C -0.0009 0.0043 -0.0046 2044 GLN 127 O -0.0005 0.0047 -0.0041 2045 GLN 127 CB 0.0004 0.0033 -0.0044 2046 GLN 127 CG 0.0014 0.0041 -0.0033 2047 GLN 127 CD 0.0021 0.0044 -0.0027 2048 GLN 127 OE1 0.0020 0.0042 -0.0030 2049 GLN 127 NE2 0.0030 0.0051 -0.0018 2050 ALA 128 N -0.0019 0.0054 -0.0045 2051 ALA 128 CA -0.0025 0.0066 -0.0042 2052 ALA 128 C -0.0030 0.0065 -0.0045 2053 ALA 128 O -0.0026 0.0072 -0.0039 2054 ALA 128 CB -0.0035 0.0076 -0.0042 2055 ALA 129 N -0.0036 0.0056 -0.0054 2056 ALA 129 CA -0.0041 0.0053 -0.0059 2057 ALA 129 C -0.0028 0.0046 -0.0055 2058 ALA 129 O -0.0029 0.0052 -0.0052 2059 ALA 129 CB -0.0049 0.0044 -0.0069 2060 TYR 130 N -0.0019 0.0027 -0.0034 2061 TYR 130 CA -0.0008 0.0036 -0.0035 2062 TYR 130 C -0.0003 0.0042 -0.0032 2063 TYR 130 O 0.0005 0.0050 -0.0029 2064 TYR 130 CB -0.0002 0.0032 -0.0049 2065 TYR 130 CG 0.0000 0.0033 -0.0051 2066 TYR 130 CD1 0.0009 0.0040 -0.0050 2067 TYR 130 CD2 -0.0007 0.0024 -0.0055 2068 TYR 130 CE1 0.0009 0.0040 -0.0051 2069 TYR 130 CE2 -0.0007 0.0024 -0.0055 2070 TYR 130 CZ 0.0003 0.0032 -0.0055 2071 TYR 130 OH 0.0004 0.0033 -0.0056 2072 GLN 131 N -0.0007 0.0037 -0.0033 2073 GLN 131 CA -0.0004 0.0042 -0.0028 2074 GLN 131 C -0.0006 0.0049 -0.0015 2075 GLN 131 O 0.0002 0.0057 -0.0013 2076 GLN 131 CB -0.0010 0.0036 -0.0030 2077 GLN 131 CG -0.0006 0.0031 -0.0044 2078 GLN 131 CD 0.0004 0.0036 -0.0050 2079 GLN 131 OE1 0.0005 0.0031 -0.0061 2080 GLN 131 NE2 0.0010 0.0044 -0.0046 2081 LYS 132 N -0.0015 0.0045 -0.0009 2082 LYS 132 CA -0.0017 0.0051 0.0004 2083 LYS 132 C -0.0009 0.0060 0.0006 2084 LYS 132 O -0.0003 0.0068 0.0013 2085 LYS 132 CB -0.0026 0.0046 0.0010 2086 LYS 132 CG -0.0036 0.0039 0.0012 2087 LYS 132 CD -0.0045 0.0034 0.0018 2088 LYS 132 CE -0.0053 0.0027 0.0016 2089 LYS 132 NZ -0.0063 0.0024 0.0026 2090 VAL 133 N 0.0024 0.0063 -0.0014 2091 VAL 133 CA 0.0022 0.0071 -0.0011 2092 VAL 133 C 0.0013 0.0073 -0.0018 2093 VAL 133 O 0.0012 0.0072 -0.0019 2094 VAL 133 CB 0.0024 0.0080 -0.0005 2095 VAL 133 CG1 0.0020 0.0087 -0.0004 2096 VAL 133 CG2 0.0033 0.0078 0.0002 2097 VAL 134 N 0.0007 0.0073 -0.0023 2098 VAL 134 CA -0.0002 0.0076 -0.0028 2099 VAL 134 C -0.0003 0.0067 -0.0033 2100 VAL 134 O -0.0008 0.0068 -0.0038 2101 VAL 134 CB -0.0010 0.0079 -0.0033 2102 VAL 134 CG1 -0.0008 0.0088 -0.0027 2103 VAL 134 CG2 -0.0009 0.0072 -0.0036 2104 ALA 135 N 0.0001 0.0058 -0.0036 2105 ALA 135 CA 0.0001 0.0049 -0.0041 2106 ALA 135 C 0.0004 0.0049 -0.0038 2107 ALA 135 O 0.0001 0.0046 -0.0042 2108 ALA 135 CB 0.0004 0.0041 -0.0043 2109 GLY 136 N -0.0006 0.0099 -0.0048 2110 GLY 136 CA -0.0000 0.0090 -0.0060 2111 GLY 136 C -0.0012 0.0081 -0.0058 2112 GLY 136 O -0.0014 0.0069 -0.0065 2113 VAL 137 N -0.0019 0.0088 -0.0047 2114 VAL 137 CA -0.0029 0.0080 -0.0045 2115 VAL 137 C -0.0041 0.0070 -0.0043 2116 VAL 137 O -0.0046 0.0057 -0.0049 2117 VAL 137 CB -0.0034 0.0090 -0.0033 2118 VAL 137 CG1 -0.0046 0.0081 -0.0030 2119 VAL 137 CG2 -0.0022 0.0099 -0.0035 2120 ALA 138 N -0.0046 0.0072 -0.0038 2121 ALA 138 CA -0.0057 0.0062 -0.0037 2122 ALA 138 C -0.0054 0.0050 -0.0048 2123 ALA 138 O -0.0062 0.0038 -0.0052 2124 ALA 138 CB -0.0060 0.0069 -0.0028 2125 ASN 139 N -0.0048 0.0104 -0.0050 2126 ASN 139 CA -0.0050 0.0109 -0.0069 2127 ASN 139 C -0.0061 0.0096 -0.0089 2128 ASN 139 O -0.0065 0.0089 -0.0093 2129 ASN 139 CB -0.0044 0.0130 -0.0085 2130 ASN 139 CG -0.0040 0.0136 -0.0079 2131 ASN 139 OD1 -0.0031 0.0146 -0.0058 2132 ASN 139 ND2 -0.0026 0.0164 -0.0073 2133 ALA 140 N -0.0066 0.0085 -0.0091 2134 ALA 140 CA -0.0076 0.0071 -0.0107 2135 ALA 140 C -0.0083 0.0051 -0.0095 2136 ALA 140 O -0.0091 0.0039 -0.0107 2137 ALA 140 CB -0.0081 0.0065 -0.0114 2138 LEU 141 N -0.0082 0.0044 -0.0076 2139 LEU 141 CA -0.0087 0.0027 -0.0064 2140 LEU 141 C -0.0087 0.0029 -0.0066 2141 LEU 141 O -0.0092 0.0014 -0.0060 2142 LEU 141 CB -0.0086 0.0020 -0.0043 2143 LEU 141 CG -0.0092 0.0007 -0.0043 2144 LEU 141 CD1 -0.0088 0.0003 -0.0020 2145 LEU 141 CD2 -0.0103 -0.0014 -0.0049 2146 ALA 142 N -0.0084 0.0085 -0.0004 2147 ALA 142 CA -0.0079 0.0093 0.0022 2148 ALA 142 C -0.0087 0.0099 -0.0006 2149 ALA 142 O -0.0080 0.0101 0.0019 2150 ALA 142 CB -0.0076 0.0129 0.0048 2151 HIS 143 N -0.0095 0.0102 -0.0038 2152 HIS 143 CA -0.0105 0.0119 -0.0066 2153 HIS 143 C -0.0100 0.0090 -0.0060 2154 HIS 143 O -0.0103 0.0107 -0.0064 2155 HIS 143 CB -0.0114 0.0118 -0.0102 2156 HIS 143 CG -0.0124 0.0141 -0.0130 2157 HIS 143 ND1 -0.0126 0.0099 -0.0156 2158 HIS 143 CD2 -0.0124 0.0172 -0.0118 2159 HIS 143 CE1 -0.0136 0.0148 -0.0171 2160 HIS 143 NE2 -0.0132 0.0183 -0.0143 2161 LYS 144 N -0.0095 0.0054 -0.0056 2162 LYS 144 CA -0.0093 0.0029 -0.0059 2163 LYS 144 C -0.0083 0.0024 -0.0023 2164 LYS 144 O -0.0079 -0.0004 -0.0018 2165 LYS 144 CB -0.0095 -0.0006 -0.0080 2166 LYS 144 CG -0.0108 0.0003 -0.0126 2167 LYS 144 CD -0.0114 0.0001 -0.0148 2168 LYS 144 CE -0.0125 -0.0007 -0.0191 2169 LYS 144 NZ -0.0125 -0.0058 -0.0213 2170 TYR 145 N -0.0088 0.0004 0.0255 2171 TYR 145 CA -0.0075 0.0007 0.0267 2172 TYR 145 C -0.0067 0.0019 0.0333 2173 TYR 145 O -0.0111 0.0017 0.0351 2174 TYR 145 CB -0.0086 0.0002 0.0244 2175 TYR 145 CG -0.0067 -0.0005 0.0186 2176 TYR 145 CD1 -0.0037 -0.0002 0.0178 2177 TYR 145 CD2 -0.0076 -0.0011 0.0156 2178 TYR 145 CE1 -0.0017 -0.0007 0.0134 2179 TYR 145 CE2 -0.0048 -0.0017 0.0100 2180 TYR 145 CZ -0.0020 -0.0015 0.0088 2181 TYR 145 OH -0.0007 -0.0021 0.0039 2182 HIS 146 N -0.0039 0.0026 0.0350 2183 HIS 146 CA -0.0026 0.0038 0.0410 2184 HIS 146 C 0.0007 0.0044 0.0418 2185 HIS 146 O 0.0033 0.0041 0.0379 2186 HIS 146 CB -0.0013 0.0044 0.0433 2187 HIS 146 CG 0.0066 0.0053 0.0425 2188 HIS 146 ND1 0.0076 0.0057 0.0440 2189 HIS 146 CD2 0.0065 0.0043 0.0369 2190 HIS 146 CE1 0.0137 0.0060 0.0410 2191 HIS 146 NE2 0.0119 0.0051 0.0374 2192 HIS 146 OXT 0.0008 0.0051 0.0462 2193 VAL 1 N 0.0004 -0.0196 0.0156 2194 VAL 1 CA -0.0006 -0.0200 0.0096 2195 VAL 1 C -0.0007 -0.0219 0.0096 2196 VAL 1 O -0.0005 -0.0243 0.0114 2197 VAL 1 CB -0.0005 -0.0224 0.0111 2198 VAL 1 CG1 -0.0015 -0.0240 0.0057 2199 VAL 1 CG2 -0.0012 -0.0210 0.0061 2200 LEU 2 N -0.0009 -0.0198 0.0079 2201 LEU 2 CA -0.0009 -0.0198 0.0079 2202 LEU 2 C -0.0015 -0.0232 0.0050 2203 LEU 2 O -0.0019 -0.0217 0.0021 2204 LEU 2 CB -0.0009 -0.0167 0.0069 2205 LEU 2 CG -0.0003 -0.0141 0.0102 2206 LEU 2 CD1 -0.0003 -0.0111 0.0093 2207 LEU 2 CD2 0.0002 -0.0153 0.0131 2208 SER 3 N -0.0015 -0.0260 0.0060 2209 SER 3 CA -0.0020 -0.0285 0.0035 2210 SER 3 C -0.0023 -0.0269 0.0016 2211 SER 3 O -0.0020 -0.0247 0.0025 2212 SER 3 CB -0.0018 -0.0316 0.0054 2213 SER 3 OG -0.0016 -0.0316 0.0071 2214 PRO 4 N -0.0024 -0.0274 -0.0035 2215 PRO 4 CA -0.0021 -0.0262 -0.0047 2216 PRO 4 C -0.0019 -0.0261 -0.0008 2217 PRO 4 O -0.0010 -0.0233 -0.0005 2218 PRO 4 CB -0.0032 -0.0292 -0.0082 2219 PRO 4 CG -0.0037 -0.0308 -0.0099 2220 PRO 4 CD -0.0035 -0.0303 -0.0062 2221 ALA 5 N -0.0028 -0.0289 0.0013 2222 ALA 5 CA -0.0027 -0.0291 0.0052 2223 ALA 5 C -0.0013 -0.0250 0.0079 2224 ALA 5 O -0.0008 -0.0235 0.0101 2225 ALA 5 CB -0.0038 -0.0326 0.0080 2226 ASP 6 N -0.0012 -0.0248 0.0086 2227 ASP 6 CA -0.0001 -0.0214 0.0110 2228 ASP 6 C 0.0011 -0.0176 0.0094 2229 ASP 6 O 0.0021 -0.0149 0.0118 2230 ASP 6 CB 0.0001 -0.0209 0.0110 2231 ASP 6 CG -0.0008 -0.0241 0.0137 2232 ASP 6 OD1 -0.0012 -0.0254 0.0173 2233 ASP 6 OD2 -0.0011 -0.0249 0.0125 2234 LYS 7 N 0.0002 -0.0175 0.0057 2235 LYS 7 CA 0.0024 -0.0152 0.0049 2236 LYS 7 C 0.0028 -0.0140 0.0061 2237 LYS 7 O 0.0037 -0.0123 0.0071 2238 LYS 7 CB 0.0030 -0.0159 0.0022 2239 LYS 7 CG 0.0025 -0.0172 0.0011 2240 LYS 7 CD 0.0042 -0.0169 -0.0022 2241 LYS 7 CE 0.0032 -0.0187 -0.0033 2242 LYS 7 NZ 0.0030 -0.0199 -0.0051 2243 THR 8 N 0.0016 -0.0154 0.0064 2244 THR 8 CA 0.0017 -0.0143 0.0081 2245 THR 8 C 0.0016 -0.0133 0.0104 2246 THR 8 O 0.0025 -0.0116 0.0114 2247 THR 8 CB 0.0003 -0.0163 0.0078 2248 THR 8 OG1 0.0011 -0.0167 0.0053 2249 THR 8 CG2 0.0007 -0.0153 0.0088 2250 ASN 9 N 0.0001 -0.0144 0.0117 2251 ASN 9 CA -0.0004 -0.0136 0.0142 2252 ASN 9 C 0.0009 -0.0117 0.0146 2253 ASN 9 O 0.0015 -0.0101 0.0163 2254 ASN 9 CB -0.0022 -0.0154 0.0152 2255 ASN 9 CG -0.0039 -0.0170 0.0161 2256 ASN 9 OD1 -0.0036 -0.0166 0.0162 2257 ASN 9 ND2 -0.0050 -0.0187 0.0157 2258 VAL 10 N -0.0018 -0.0126 0.0132 2259 VAL 10 CA 0.0001 -0.0093 0.0136 2260 VAL 10 C 0.0022 -0.0058 0.0123 2261 VAL 10 O 0.0032 -0.0037 0.0147 2262 VAL 10 CB 0.0006 -0.0088 0.0112 2263 VAL 10 CG1 0.0028 -0.0050 0.0114 2264 VAL 10 CG2 -0.0007 -0.0108 0.0129 2265 LYS 11 N 0.0019 -0.0068 0.0092 2266 LYS 11 CA 0.0032 -0.0047 0.0084 2267 LYS 11 C 0.0032 -0.0043 0.0107 2268 LYS 11 O 0.0045 -0.0018 0.0123 2269 LYS 11 CB 0.0032 -0.0054 0.0042 2270 LYS 11 CG 0.0035 -0.0053 0.0009 2271 LYS 11 CD 0.0035 -0.0060 -0.0029 2272 LYS 11 CE 0.0039 -0.0059 -0.0060 2273 LYS 11 NZ 0.0018 -0.0101 -0.0090 2274 ALA 12 N 0.0013 -0.0073 0.0125 2275 ALA 12 CA 0.0013 -0.0068 0.0155 2276 ALA 12 C 0.0022 -0.0047 0.0188 2277 ALA 12 O 0.0034 -0.0022 0.0210 2278 ALA 12 CB -0.0005 -0.0097 0.0170 2279 ALA 13 N 0.0010 0.0016 0.0184 2280 ALA 13 CA 0.0013 0.0019 0.0191 2281 ALA 13 C 0.0038 0.0025 0.0189 2282 ALA 13 O 0.0049 0.0034 0.0205 2283 ALA 13 CB -0.0003 0.0011 0.0181 2284 TRP 14 N 0.0050 0.0020 0.0168 2285 TRP 14 CA 0.0074 0.0025 0.0163 2286 TRP 14 C 0.0089 0.0033 0.0174 2287 TRP 14 O 0.0108 0.0042 0.0186 2288 TRP 14 CB 0.0082 0.0018 0.0139 2289 TRP 14 CG 0.0099 0.0020 0.0133 2290 TRP 14 CD1 0.0125 0.0026 0.0129 2291 TRP 14 CD2 0.0097 0.0019 0.0130 2292 TRP 14 NE1 0.0134 0.0025 0.0122 2293 TRP 14 CE2 0.0124 0.0024 0.0124 2294 TRP 14 CE3 0.0081 0.0016 0.0134 2295 TRP 14 CZ2 0.0126 0.0024 0.0125 2296 TRP 14 CZ3 0.0082 0.0016 0.0133 2297 TRP 14 CH2 0.0112 0.0022 0.0128 2298 GLY 15 N 0.0088 0.0035 0.0181 2299 GLY 15 CA 0.0094 0.0042 0.0196 2300 GLY 15 C 0.0095 0.0051 0.0218 2301 GLY 15 O 0.0120 0.0061 0.0227 2302 LYS 16 N 0.0078 0.0105 0.0257 2303 LYS 16 CA 0.0070 0.0106 0.0280 2304 LYS 16 C 0.0097 0.0108 0.0277 2305 LYS 16 O 0.0110 0.0111 0.0295 2306 LYS 16 CB 0.0047 0.0105 0.0293 2307 LYS 16 CG 0.0038 0.0107 0.0326 2308 LYS 16 CD 0.0047 0.0109 0.0336 2309 LYS 16 CE 0.0052 0.0113 0.0379 2310 LYS 16 NZ 0.0069 0.0114 0.0378 2311 VAL 17 N 0.0106 0.0107 0.0251 2312 VAL 17 CA 0.0127 0.0108 0.0245 2313 VAL 17 C 0.0148 0.0111 0.0257 2314 VAL 17 O 0.0169 0.0115 0.0272 2315 VAL 17 CB 0.0128 0.0106 0.0216 2316 VAL 17 CG1 0.0152 0.0108 0.0211 2317 VAL 17 CG2 0.0101 0.0103 0.0215 2318 GLY 18 N 0.0153 0.0110 0.0240 2319 GLY 18 CA 0.0178 0.0114 0.0252 2320 GLY 18 C 0.0202 0.0116 0.0245 2321 GLY 18 O 0.0211 0.0114 0.0223 2322 ALA 19 N 0.0272 0.0160 0.0353 2323 ALA 19 CA 0.0319 0.0120 0.0335 2324 ALA 19 C 0.0297 0.0108 0.0296 2325 ALA 19 O 0.0332 0.0064 0.0262 2326 ALA 19 CB 0.0364 0.0133 0.0397 2327 HIS 20 N 0.0229 0.0134 0.0273 2328 HIS 20 CA 0.0198 0.0122 0.0224 2329 HIS 20 C 0.0185 0.0080 0.0147 2330 HIS 20 O 0.0154 0.0069 0.0102 2331 HIS 20 CB 0.0132 0.0166 0.0230 2332 HIS 20 CG 0.0122 0.0222 0.0307 2333 HIS 20 ND1 0.0166 0.0199 0.0314 2334 HIS 20 CD2 0.0129 0.0254 0.0363 2335 HIS 20 CE1 0.0178 0.0250 0.0403 2336 HIS 20 NE2 0.0136 0.0279 0.0408 2337 ALA 21 N 0.0193 0.0068 0.0137 2338 ALA 21 CA 0.0179 0.0030 0.0065 2339 ALA 21 C 0.0207 -0.0019 0.0016 2340 ALA 21 O 0.0156 -0.0021 -0.0036 2341 ALA 21 CB 0.0209 0.0022 0.0081 2342 GLY 22 N 0.0169 0.0015 -0.0025 2343 GLY 22 CA 0.0182 0.0001 -0.0041 2344 GLY 22 C 0.0167 0.0008 -0.0039 2345 GLY 22 O 0.0154 -0.0003 -0.0066 2346 GLU 23 N 0.0155 0.0027 -0.0016 2347 GLU 23 CA 0.0137 0.0036 -0.0013 2348 GLU 23 C 0.0097 0.0037 -0.0039 2349 GLU 23 O 0.0082 0.0033 -0.0055 2350 GLU 23 CB 0.0129 0.0061 0.0023 2351 GLU 23 CG 0.0121 0.0065 0.0025 2352 GLU 23 CD 0.0131 0.0093 0.0078 2353 GLU 23 OE1 0.0068 0.0111 0.0065 2354 GLU 23 OE2 0.0131 0.0093 0.0077 2355 TYR 24 N 0.0082 0.0047 -0.0033 2356 TYR 24 CA 0.0049 0.0048 -0.0053 2357 TYR 24 C 0.0046 0.0025 -0.0092 2358 TYR 24 O 0.0024 0.0022 -0.0113 2359 TYR 24 CB 0.0031 0.0062 -0.0042 2360 TYR 24 CG 0.0023 0.0087 -0.0006 2361 TYR 24 CD1 0.0007 0.0099 0.0003 2362 TYR 24 CD2 0.0028 0.0094 0.0010 2363 TYR 24 CE1 0.0007 0.0120 0.0039 2364 TYR 24 CE2 0.0022 0.0119 0.0046 2365 TYR 24 CZ 0.0008 0.0126 0.0049 2366 TYR 24 OH 0.0006 0.0149 0.0086 2367 GLY 25 N 0.0070 -0.0012 -0.0188 2368 GLY 25 CA 0.0074 -0.0020 -0.0206 2369 GLY 25 C 0.0079 -0.0011 -0.0197 2370 GLY 25 O 0.0066 -0.0021 -0.0199 2371 ALA 26 N 0.0091 0.0005 -0.0180 2372 ALA 26 CA 0.0093 0.0014 -0.0168 2373 ALA 26 C 0.0069 0.0006 -0.0154 2374 ALA 26 O 0.0061 0.0003 -0.0150 2375 ALA 26 CB 0.0113 0.0035 -0.0154 2376 GLU 27 N 0.0055 0.0007 -0.0137 2377 GLU 27 CA 0.0032 0.0003 -0.0117 2378 GLU 27 C 0.0015 -0.0016 -0.0132 2379 GLU 27 O 0.0002 -0.0021 -0.0126 2380 GLU 27 CB 0.0021 0.0003 -0.0105 2381 GLU 27 CG -0.0001 -0.0000 -0.0087 2382 GLU 27 CD -0.0012 0.0002 -0.0069 2383 GLU 27 OE1 -0.0034 -0.0010 -0.0066 2384 GLU 27 OE2 0.0003 0.0014 -0.0065 2385 ALA 28 N 0.0008 -0.0054 -0.0154 2386 ALA 28 CA 0.0013 -0.0056 -0.0145 2387 ALA 28 C 0.0009 -0.0053 -0.0137 2388 ALA 28 O 0.0012 -0.0055 -0.0131 2389 ALA 28 CB 0.0016 -0.0057 -0.0147 2390 LEU 29 N 0.0001 -0.0049 -0.0137 2391 LEU 29 CA -0.0004 -0.0047 -0.0129 2392 LEU 29 C -0.0005 -0.0046 -0.0127 2393 LEU 29 O -0.0004 -0.0046 -0.0120 2394 LEU 29 CB -0.0012 -0.0043 -0.0130 2395 LEU 29 CG -0.0012 -0.0043 -0.0129 2396 LEU 29 CD1 -0.0019 -0.0039 -0.0133 2397 LEU 29 CD2 -0.0009 -0.0044 -0.0121 2398 GLU 30 N -0.0007 -0.0045 -0.0133 2399 GLU 30 CA -0.0008 -0.0045 -0.0133 2400 GLU 30 C -0.0000 -0.0049 -0.0129 2401 GLU 30 O -0.0001 -0.0048 -0.0124 2402 GLU 30 CB -0.0011 -0.0044 -0.0142 2403 GLU 30 CG -0.0012 -0.0043 -0.0141 2404 GLU 30 CD -0.0017 -0.0041 -0.0150 2405 GLU 30 OE1 -0.0017 -0.0041 -0.0155 2406 GLU 30 OE2 -0.0018 -0.0040 -0.0147 2407 ARG 31 N -0.0014 -0.0050 -0.0076 2408 ARG 31 CA -0.0024 -0.0072 -0.0064 2409 ARG 31 C -0.0029 -0.0091 -0.0057 2410 ARG 31 O -0.0042 -0.0099 -0.0039 2411 ARG 31 CB -0.0016 -0.0084 -0.0077 2412 ARG 31 CG -0.0016 -0.0069 -0.0076 2413 ARG 31 CD -0.0007 -0.0083 -0.0090 2414 ARG 31 NE -0.0005 -0.0069 -0.0091 2415 ARG 31 CZ -0.0016 -0.0068 -0.0076 2416 ARG 31 NH1 -0.0029 -0.0081 -0.0057 2417 ARG 31 NH2 -0.0013 -0.0052 -0.0079 2418 MET 32 N -0.0019 -0.0098 -0.0073 2419 MET 32 CA -0.0022 -0.0115 -0.0071 2420 MET 32 C -0.0033 -0.0105 -0.0053 2421 MET 32 O -0.0043 -0.0119 -0.0039 2422 MET 32 CB -0.0007 -0.0119 -0.0093 2423 MET 32 CG -0.0010 -0.0136 -0.0090 2424 MET 32 SD 0.0006 -0.0141 -0.0114 2425 MET 32 CE 0.0009 -0.0110 -0.0115 2426 PHE 33 N -0.0031 -0.0079 -0.0054 2427 PHE 33 CA -0.0042 -0.0069 -0.0037 2428 PHE 33 C -0.0055 -0.0069 -0.0017 2429 PHE 33 O -0.0067 -0.0073 -0.0000 2430 PHE 33 CB -0.0035 -0.0043 -0.0044 2431 PHE 33 CG -0.0020 -0.0040 -0.0066 2432 PHE 33 CD1 -0.0019 -0.0056 -0.0070 2433 PHE 33 CD2 -0.0011 -0.0017 -0.0077 2434 PHE 33 CE1 -0.0006 -0.0055 -0.0089 2435 PHE 33 CE2 0.0001 -0.0020 -0.0096 2436 PHE 33 CZ 0.0004 -0.0037 -0.0102 2437 LEU 34 N -0.0037 -0.0104 -0.0019 2438 LEU 34 CA -0.0041 -0.0103 -0.0017 2439 LEU 34 C -0.0033 -0.0113 -0.0010 2440 LEU 34 O -0.0038 -0.0116 -0.0001 2441 LEU 34 CB -0.0040 -0.0096 -0.0030 2442 LEU 34 CG -0.0050 -0.0085 -0.0037 2443 LEU 34 CD1 -0.0049 -0.0077 -0.0050 2444 LEU 34 CD2 -0.0065 -0.0081 -0.0029 2445 SER 35 N -0.0019 -0.0119 -0.0014 2446 SER 35 CA -0.0012 -0.0128 -0.0007 2447 SER 35 C -0.0011 -0.0137 0.0006 2448 SER 35 O -0.0008 -0.0144 0.0014 2449 SER 35 CB 0.0003 -0.0132 -0.0015 2450 SER 35 OG 0.0005 -0.0126 -0.0027 2451 PHE 36 N -0.0014 -0.0138 0.0010 2452 PHE 36 CA -0.0013 -0.0146 0.0022 2453 PHE 36 C -0.0026 -0.0141 0.0026 2454 PHE 36 O -0.0026 -0.0140 0.0025 2455 PHE 36 CB -0.0001 -0.0151 0.0019 2456 PHE 36 CG 0.0012 -0.0156 0.0013 2457 PHE 36 CD1 0.0019 -0.0151 -0.0001 2458 PHE 36 CD2 0.0017 -0.0164 0.0021 2459 PHE 36 CE1 0.0031 -0.0154 -0.0007 2460 PHE 36 CE2 0.0027 -0.0166 0.0014 2461 PHE 36 CZ 0.0034 -0.0161 0.0000 2462 PRO 37 N -0.0048 -0.0119 0.0138 2463 PRO 37 CA -0.0049 -0.0079 0.0144 2464 PRO 37 C -0.0048 -0.0070 0.0131 2465 PRO 37 O -0.0047 -0.0036 0.0122 2466 PRO 37 CB -0.0056 -0.0068 0.0188 2467 PRO 37 CG -0.0059 -0.0100 0.0204 2468 PRO 37 CD -0.0053 -0.0128 0.0171 2469 THR 38 N -0.0047 -0.0101 0.0129 2470 THR 38 CA -0.0044 -0.0094 0.0112 2471 THR 38 C -0.0039 -0.0078 0.0076 2472 THR 38 O -0.0037 -0.0061 0.0064 2473 THR 38 CB -0.0047 -0.0138 0.0132 2474 THR 38 OG1 -0.0041 -0.0163 0.0095 2475 THR 38 CG2 -0.0047 -0.0163 0.0133 2476 THR 39 N -0.0035 -0.0090 0.0053 2477 THR 39 CA -0.0029 -0.0074 0.0013 2478 THR 39 C -0.0030 -0.0028 0.0011 2479 THR 39 O -0.0025 -0.0010 -0.0018 2480 THR 39 CB -0.0025 -0.0089 -0.0011 2481 THR 39 OG1 -0.0028 -0.0079 0.0003 2482 THR 39 CG2 -0.0025 -0.0136 -0.0009 2483 LYS 40 N -0.0007 -0.0017 0.0053 2484 LYS 40 CA -0.0019 0.0031 0.0049 2485 LYS 40 C -0.0025 0.0054 0.0059 2486 LYS 40 O -0.0033 0.0089 0.0049 2487 LYS 40 CB -0.0023 0.0043 0.0085 2488 LYS 40 CG -0.0019 0.0026 0.0076 2489 LYS 40 CD -0.0022 0.0034 0.0122 2490 LYS 40 CE -0.0022 0.0034 0.0119 2491 LYS 40 NZ -0.0027 0.0046 0.0169 2492 THR 41 N -0.0020 0.0033 0.0075 2493 THR 41 CA -0.0026 0.0054 0.0090 2494 THR 41 C -0.0027 0.0064 0.0050 2495 THR 41 O -0.0034 0.0094 0.0050 2496 THR 41 CB -0.0020 0.0025 0.0112 2497 THR 41 OG1 -0.0011 -0.0006 0.0087 2498 THR 41 CG2 -0.0018 0.0012 0.0150 2499 TYR 42 N -0.0023 0.0056 0.0008 2500 TYR 42 CA -0.0024 0.0065 -0.0029 2501 TYR 42 C -0.0033 0.0103 -0.0050 2502 TYR 42 O -0.0035 0.0118 -0.0082 2503 TYR 42 CB -0.0015 0.0033 -0.0064 2504 TYR 42 CG -0.0008 -0.0000 -0.0043 2505 TYR 42 CD1 -0.0008 0.0002 -0.0049 2506 TYR 42 CD2 0.0000 -0.0037 -0.0022 2507 TYR 42 CE1 -0.0002 -0.0026 -0.0032 2508 TYR 42 CE2 0.0007 -0.0065 -0.0008 2509 TYR 42 CZ 0.0006 -0.0061 -0.0011 2510 TYR 42 OH 0.0013 -0.0093 0.0001 2511 PHE 43 N 0.0017 0.0246 -0.0055 2512 PHE 43 CA -0.0010 0.0279 -0.0092 2513 PHE 43 C 0.0015 0.0335 -0.0023 2514 PHE 43 O 0.0020 0.0322 -0.0018 2515 PHE 43 CB -0.0012 0.0187 -0.0134 2516 PHE 43 CG -0.0033 0.0127 -0.0198 2517 PHE 43 CD1 -0.0004 0.0051 -0.0173 2518 PHE 43 CD2 -0.0083 0.0139 -0.0287 2519 PHE 43 CE1 -0.0028 -0.0002 -0.0241 2520 PHE 43 CE2 -0.0098 0.0082 -0.0340 2521 PHE 43 CZ -0.0078 0.0008 -0.0331 2522 PRO 44 N 0.0018 0.0415 0.0016 2523 PRO 44 CA 0.0045 0.0464 0.0087 2524 PRO 44 C 0.0003 0.0534 0.0036 2525 PRO 44 O 0.0021 0.0560 0.0080 2526 PRO 44 CB 0.0052 0.0528 0.0126 2527 PRO 44 CG 0.0015 0.0533 0.0058 2528 PRO 44 CD 0.0005 0.0439 0.0002 2529 HIS 45 N -0.0034 0.0539 -0.0033 2530 HIS 45 CA -0.0074 0.0592 -0.0088 2531 HIS 45 C -0.0082 0.0536 -0.0126 2532 HIS 45 O -0.0117 0.0583 -0.0173 2533 HIS 45 CB -0.0118 0.0625 -0.0158 2534 HIS 45 CG -0.0144 0.0574 -0.0228 2535 HIS 45 ND1 -0.0106 0.0509 -0.0182 2536 HIS 45 CD2 -0.0181 0.0549 -0.0308 2537 HIS 45 CE1 -0.0133 0.0472 -0.0248 2538 HIS 45 NE2 -0.0179 0.0486 -0.0330 2539 PHE 46 N -0.0115 0.0372 -0.0080 2540 PHE 46 CA -0.0120 0.0336 -0.0121 2541 PHE 46 C -0.0098 0.0327 -0.0095 2542 PHE 46 O -0.0060 0.0317 -0.0044 2543 PHE 46 CB -0.0097 0.0270 -0.0144 2544 PHE 46 CG -0.0129 0.0273 -0.0191 2545 PHE 46 CD1 -0.0125 0.0221 -0.0234 2546 PHE 46 CD2 -0.0160 0.0311 -0.0207 2547 PHE 46 CE1 -0.0152 0.0215 -0.0280 2548 PHE 46 CE2 -0.0175 0.0300 -0.0241 2549 PHE 46 CZ -0.0175 0.0248 -0.0287 2550 ASP 47 N -0.0107 0.0305 -0.0128 2551 ASP 47 CA -0.0076 0.0274 -0.0108 2552 ASP 47 C -0.0048 0.0200 -0.0132 2553 ASP 47 O -0.0072 0.0186 -0.0183 2554 ASP 47 CB -0.0111 0.0284 -0.0153 2555 ASP 47 CG -0.0076 0.0260 -0.0121 2556 ASP 47 OD1 -0.0051 0.0220 -0.0118 2557 ASP 47 OD2 -0.0102 0.0273 -0.0150 2558 LEU 48 N -0.0010 0.0185 -0.0086 2559 LEU 48 CA 0.0017 0.0117 -0.0105 2560 LEU 48 C 0.0038 0.0081 -0.0105 2561 LEU 48 O 0.0068 0.0021 -0.0114 2562 LEU 48 CB 0.0049 0.0116 -0.0056 2563 LEU 48 CG 0.0041 0.0139 -0.0048 2564 LEU 48 CD1 0.0070 0.0140 -0.0002 2565 LEU 48 CD2 0.0007 0.0131 -0.0109 2566 SER 49 N 0.0048 0.0056 -0.0209 2567 SER 49 CA 0.0078 0.0005 -0.0164 2568 SER 49 C 0.0035 -0.0066 -0.0221 2569 SER 49 O -0.0022 -0.0075 -0.0300 2570 SER 49 CB 0.0113 0.0068 -0.0118 2571 SER 49 OG 0.0088 0.0135 -0.0158 2572 HIS 50 N 0.0063 -0.0164 -0.0176 2573 HIS 50 CA 0.0025 -0.0248 -0.0224 2574 HIS 50 C -0.0020 -0.0212 -0.0290 2575 HIS 50 O 0.0009 -0.0166 -0.0251 2576 HIS 50 CB 0.0063 -0.0353 -0.0164 2577 HIS 50 CG 0.0021 -0.0424 -0.0220 2578 HIS 50 ND1 0.0020 -0.0463 -0.0220 2579 HIS 50 CD2 -0.0022 -0.0481 -0.0277 2580 HIS 50 CE1 -0.0025 -0.0526 -0.0279 2581 HIS 50 NE2 -0.0061 -0.0556 -0.0329 2582 GLY 51 N -0.0072 -0.0235 -0.0362 2583 GLY 51 CA -0.0110 -0.0210 -0.0417 2584 GLY 51 C -0.0139 -0.0116 -0.0463 2585 GLY 51 O -0.0181 -0.0081 -0.0525 2586 SER 52 N -0.0087 -0.0081 -0.0431 2587 SER 52 CA -0.0144 -0.0022 -0.0400 2588 SER 52 C -0.0200 -0.0019 -0.0414 2589 SER 52 O -0.0199 -0.0031 -0.0423 2590 SER 52 CB -0.0110 0.0027 -0.0350 2591 SER 52 OG -0.0162 0.0076 -0.0325 2592 ALA 53 N -0.0271 -0.0015 -0.0432 2593 ALA 53 CA -0.0336 0.0002 -0.0438 2594 ALA 53 C -0.0339 0.0047 -0.0402 2595 ALA 53 O -0.0375 0.0044 -0.0415 2596 ALA 53 CB -0.0393 -0.0012 -0.0466 2597 GLN 54 N -0.0312 0.0086 -0.0363 2598 GLN 54 CA -0.0318 0.0143 -0.0318 2599 GLN 54 C -0.0275 0.0127 -0.0318 2600 GLN 54 O -0.0300 0.0148 -0.0308 2601 GLN 54 CB -0.0296 0.0190 -0.0273 2602 GLN 54 CG -0.0340 0.0216 -0.0265 2603 GLN 54 CD -0.0316 0.0266 -0.0217 2604 GLN 54 OE1 -0.0256 0.0255 -0.0209 2605 GLN 54 NE2 -0.0355 0.0318 -0.0187 2606 VAL 55 N -0.0160 0.0014 -0.0238 2607 VAL 55 CA -0.0099 0.0033 -0.0232 2608 VAL 55 C -0.0104 0.0024 -0.0252 2609 VAL 55 O -0.0077 0.0038 -0.0233 2610 VAL 55 CB -0.0060 0.0031 -0.0266 2611 VAL 55 CG1 -0.0006 0.0044 -0.0269 2612 VAL 55 CG2 -0.0059 0.0041 -0.0240 2613 LYS 56 N -0.0131 0.0000 -0.0297 2614 LYS 56 CA -0.0133 -0.0008 -0.0317 2615 LYS 56 C -0.0155 -0.0001 -0.0283 2616 LYS 56 O -0.0141 0.0009 -0.0266 2617 LYS 56 CB -0.0167 -0.0035 -0.0365 2618 LYS 56 CG -0.0133 -0.0044 -0.0415 2619 LYS 56 CD -0.0164 -0.0073 -0.0468 2620 LYS 56 CE -0.0126 -0.0080 -0.0517 2621 LYS 56 NZ -0.0177 -0.0108 -0.0554 2622 GLY 57 N -0.0200 0.0000 -0.0246 2623 GLY 57 CA -0.0230 0.0007 -0.0208 2624 GLY 57 C -0.0198 0.0033 -0.0160 2625 GLY 57 O -0.0199 0.0042 -0.0135 2626 HIS 58 N -0.0017 -0.0006 -0.0175 2627 HIS 58 CA -0.0014 0.0006 -0.0170 2628 HIS 58 C -0.0006 0.0051 -0.0160 2629 HIS 58 O 0.0003 0.0058 -0.0140 2630 HIS 58 CB -0.0028 -0.0001 -0.0199 2631 HIS 58 CG -0.0025 0.0005 -0.0194 2632 HIS 58 ND1 -0.0014 -0.0016 -0.0168 2633 HIS 58 CD2 -0.0031 0.0024 -0.0209 2634 HIS 58 CE1 -0.0015 0.0002 -0.0172 2635 HIS 58 NE2 -0.0025 0.0028 -0.0198 2636 GLY 59 N -0.0014 0.0069 -0.0179 2637 GLY 59 CA -0.0008 0.0104 -0.0172 2638 GLY 59 C 0.0008 0.0116 -0.0138 2639 GLY 59 O 0.0018 0.0141 -0.0120 2640 LYS 60 N 0.0014 0.0095 -0.0122 2641 LYS 60 CA 0.0031 0.0096 -0.0087 2642 LYS 60 C 0.0041 0.0089 -0.0064 2643 LYS 60 O 0.0053 0.0106 -0.0040 2644 LYS 60 CB 0.0032 0.0075 -0.0080 2645 LYS 60 CG 0.0049 0.0083 -0.0045 2646 LYS 60 CD 0.0055 0.0074 -0.0031 2647 LYS 60 CE 0.0069 0.0095 -0.0004 2648 LYS 60 NZ 0.0080 0.0054 0.0025 2649 LYS 61 N 0.0051 0.0000 -0.0020 2650 LYS 61 CA 0.0056 -0.0002 0.0007 2651 LYS 61 C 0.0069 0.0034 0.0012 2652 LYS 61 O 0.0078 0.0042 0.0039 2653 LYS 61 CB 0.0046 -0.0027 0.0002 2654 LYS 61 CG 0.0038 -0.0055 0.0009 2655 LYS 61 CD 0.0028 -0.0081 0.0006 2656 LYS 61 CE 0.0019 -0.0116 0.0019 2657 LYS 61 NZ 0.0009 -0.0133 -0.0000 2658 VAL 62 N 0.0067 0.0047 -0.0021 2659 VAL 62 CA 0.0078 0.0077 -0.0020 2660 VAL 62 C 0.0091 0.0106 -0.0006 2661 VAL 62 O 0.0101 0.0121 0.0016 2662 VAL 62 CB 0.0072 0.0085 -0.0058 2663 VAL 62 CG1 0.0083 0.0118 -0.0062 2664 VAL 62 CG2 0.0063 0.0061 -0.0063 2665 ALA 63 N 0.0086 0.0101 -0.0019 2666 ALA 63 CA 0.0097 0.0126 -0.0010 2667 ALA 63 C 0.0104 0.0125 0.0023 2668 ALA 63 O 0.0115 0.0145 0.0043 2669 ALA 63 CB 0.0093 0.0126 -0.0031 2670 ASP 64 N 0.0107 0.0125 0.0113 2671 ASP 64 CA 0.0090 0.0127 0.0105 2672 ASP 64 C 0.0078 0.0140 0.0090 2673 ASP 64 O 0.0058 0.0139 0.0085 2674 ASP 64 CB 0.0102 0.0131 0.0105 2675 ASP 64 CG 0.0113 0.0118 0.0120 2676 ASP 64 OD1 0.0109 0.0105 0.0131 2677 ASP 64 OD2 0.0125 0.0127 0.0117 2678 ALA 65 N 0.0089 0.0153 0.0081 2679 ALA 65 CA 0.0077 0.0166 0.0066 2680 ALA 65 C 0.0057 0.0158 0.0067 2681 ALA 65 O 0.0039 0.0160 0.0060 2682 ALA 65 CB 0.0091 0.0179 0.0059 2683 LEU 66 N 0.0062 0.0144 0.0082 2684 LEU 66 CA 0.0047 0.0134 0.0086 2685 LEU 66 C 0.0029 0.0123 0.0091 2686 LEU 66 O 0.0009 0.0121 0.0086 2687 LEU 66 CB 0.0059 0.0124 0.0099 2688 LEU 66 CG 0.0073 0.0137 0.0092 2689 LEU 66 CD1 0.0087 0.0127 0.0105 2690 LEU 66 CD2 0.0061 0.0143 0.0082 2691 THR 67 N 0.0013 0.0141 0.0142 2692 THR 67 CA -0.0009 0.0125 0.0129 2693 THR 67 C -0.0026 0.0140 0.0099 2694 THR 67 O -0.0049 0.0121 0.0086 2695 THR 67 CB 0.0004 0.0133 0.0138 2696 THR 67 OG1 0.0018 0.0116 0.0164 2697 THR 67 CG2 -0.0020 0.0119 0.0119 2698 ASN 68 N -0.0018 0.0172 0.0087 2699 ASN 68 CA -0.0034 0.0183 0.0061 2700 ASN 68 C -0.0047 0.0173 0.0053 2701 ASN 68 O -0.0073 0.0168 0.0027 2702 ASN 68 CB -0.0022 0.0218 0.0052 2703 ASN 68 CG -0.0038 0.0237 0.0021 2704 ASN 68 OD1 -0.0055 0.0231 0.0006 2705 ASN 68 ND2 -0.0027 0.0267 0.0013 2706 ALA 69 N -0.0034 0.0171 0.0070 2707 ALA 69 CA -0.0047 0.0158 0.0064 2708 ALA 69 C -0.0069 0.0124 0.0062 2709 ALA 69 O -0.0086 0.0119 0.0046 2710 ALA 69 CB -0.0026 0.0161 0.0084 2711 VAL 70 N -0.0026 0.0100 0.0085 2712 VAL 70 CA -0.0038 0.0054 0.0070 2713 VAL 70 C -0.0079 0.0059 0.0037 2714 VAL 70 O -0.0085 0.0039 0.0030 2715 VAL 70 CB -0.0024 0.0028 0.0079 2716 VAL 70 CG1 -0.0035 -0.0012 0.0067 2717 VAL 70 CG2 0.0011 0.0023 0.0109 2718 ALA 71 N -0.0088 0.0075 0.0030 2719 ALA 71 CA -0.0127 0.0083 -0.0001 2720 ALA 71 C -0.0135 0.0092 -0.0007 2721 ALA 71 O -0.0163 0.0092 -0.0030 2722 ALA 71 CB -0.0135 0.0097 -0.0006 2723 HIS 72 N -0.0124 0.0122 0.0005 2724 HIS 72 CA -0.0126 0.0142 0.0005 2725 HIS 72 C -0.0117 0.0140 0.0012 2726 HIS 72 O -0.0107 0.0168 0.0023 2727 HIS 72 CB -0.0132 0.0197 0.0005 2728 HIS 72 CG -0.0148 0.0204 -0.0008 2729 HIS 72 ND1 -0.0189 0.0217 -0.0041 2730 HIS 72 CD2 -0.0150 0.0200 -0.0010 2731 HIS 72 CE1 -0.0194 0.0224 -0.0044 2732 HIS 72 NE2 -0.0177 0.0217 -0.0031 2733 VAL 73 N -0.0123 0.0024 0.0002 2734 VAL 73 CA -0.0095 0.0018 0.0021 2735 VAL 73 C -0.0101 0.0035 0.0023 2736 VAL 73 O -0.0075 0.0042 0.0046 2737 VAL 73 CB -0.0067 -0.0030 0.0025 2738 VAL 73 CG1 -0.0094 -0.0048 -0.0002 2739 VAL 73 CG2 -0.0035 -0.0025 0.0052 2740 ASP 74 N -0.0133 0.0035 -0.0002 2741 ASP 74 CA -0.0140 0.0050 -0.0001 2742 ASP 74 C -0.0147 0.0096 0.0010 2743 ASP 74 O -0.0156 0.0102 0.0006 2744 ASP 74 CB -0.0166 0.0026 -0.0031 2745 ASP 74 CG -0.0164 -0.0013 -0.0044 2746 ASP 74 OD1 -0.0132 -0.0044 -0.0031 2747 ASP 74 OD2 -0.0175 -0.0039 -0.0063 2748 ASP 75 N -0.0152 0.0111 0.0012 2749 ASP 75 CA -0.0164 0.0162 0.0022 2750 ASP 75 C -0.0150 0.0170 0.0036 2751 ASP 75 O -0.0164 0.0201 0.0037 2752 ASP 75 CB -0.0204 0.0168 -0.0007 2753 ASP 75 CG -0.0229 0.0205 -0.0012 2754 ASP 75 OD1 -0.0219 0.0224 0.0002 2755 ASP 75 OD2 -0.0243 0.0203 -0.0024 2756 MET 76 N -0.0148 0.0106 0.0039 2757 MET 76 CA -0.0127 0.0112 0.0043 2758 MET 76 C -0.0123 0.0136 0.0045 2759 MET 76 O -0.0119 0.0137 0.0045 2760 MET 76 CB -0.0103 0.0097 0.0048 2761 MET 76 CG -0.0106 0.0067 0.0047 2762 MET 76 SD -0.0068 0.0058 0.0054 2763 MET 76 CE -0.0067 0.0068 0.0054 2764 PRO 77 N -0.0124 0.0156 0.0045 2765 PRO 77 CA -0.0123 0.0182 0.0045 2766 PRO 77 C -0.0135 0.0192 0.0043 2767 PRO 77 O -0.0128 0.0202 0.0045 2768 PRO 77 CB -0.0125 0.0201 0.0045 2769 PRO 77 CG -0.0124 0.0188 0.0045 2770 PRO 77 CD -0.0133 0.0159 0.0043 2771 ASN 78 N -0.0161 0.0185 0.0038 2772 ASN 78 CA -0.0177 0.0183 0.0035 2773 ASN 78 C -0.0173 0.0174 0.0036 2774 ASN 78 O -0.0170 0.0177 0.0036 2775 ASN 78 CB -0.0208 0.0191 0.0030 2776 ASN 78 CG -0.0228 0.0199 0.0026 2777 ASN 78 OD1 -0.0221 0.0218 0.0028 2778 ASN 78 ND2 -0.0240 0.0179 0.0023 2779 ALA 79 N -0.0089 0.0140 0.0047 2780 ALA 79 CA -0.0083 0.0130 0.0050 2781 ALA 79 C -0.0076 0.0123 0.0038 2782 ALA 79 O -0.0069 0.0113 0.0040 2783 ALA 79 CB -0.0086 0.0133 0.0055 2784 LEU 80 N -0.0078 0.0131 0.0026 2785 LEU 80 CA -0.0072 0.0125 0.0014 2786 LEU 80 C -0.0069 0.0125 0.0003 2787 LEU 80 O -0.0064 0.0121 -0.0008 2788 LEU 80 CB -0.0075 0.0134 0.0006 2789 LEU 80 CG -0.0080 0.0138 0.0014 2790 LEU 80 CD1 -0.0083 0.0145 0.0005 2791 LEU 80 CD2 -0.0073 0.0126 0.0018 2792 SER 81 N -0.0070 0.0124 0.0009 2793 SER 81 CA -0.0067 0.0123 -0.0001 2794 SER 81 C -0.0058 0.0112 -0.0007 2795 SER 81 O -0.0055 0.0113 -0.0019 2796 SER 81 CB -0.0069 0.0122 0.0012 2797 SER 81 OG -0.0068 0.0125 0.0001 2798 ALA 82 N -0.0032 0.0054 -0.0012 2799 ALA 82 CA -0.0030 0.0047 -0.0016 2800 ALA 82 C -0.0038 0.0048 -0.0021 2801 ALA 82 O -0.0041 0.0043 -0.0027 2802 ALA 82 CB -0.0019 0.0048 -0.0009 2803 LEU 83 N -0.0047 0.0061 -0.0016 2804 LEU 83 CA -0.0055 0.0062 -0.0020 2805 LEU 83 C -0.0065 0.0060 -0.0028 2806 LEU 83 O -0.0071 0.0056 -0.0035 2807 LEU 83 CB -0.0060 0.0074 -0.0013 2808 LEU 83 CG -0.0055 0.0078 -0.0007 2809 LEU 83 CD1 -0.0062 0.0090 -0.0001 2810 LEU 83 CD2 -0.0053 0.0072 -0.0011 2811 SER 84 N -0.0065 0.0060 -0.0029 2812 SER 84 CA -0.0073 0.0055 -0.0038 2813 SER 84 C -0.0070 0.0044 -0.0045 2814 SER 84 O -0.0076 0.0039 -0.0053 2815 SER 84 CB -0.0076 0.0054 -0.0040 2816 SER 84 OG -0.0075 0.0062 -0.0033 2817 ASP 85 N -0.0071 0.0001 -0.0059 2818 ASP 85 CA -0.0074 0.0002 -0.0057 2819 ASP 85 C -0.0075 0.0002 -0.0057 2820 ASP 85 O -0.0075 0.0003 -0.0055 2821 ASP 85 CB -0.0076 0.0002 -0.0057 2822 ASP 85 CG -0.0075 0.0003 -0.0055 2823 ASP 85 OD1 -0.0073 0.0003 -0.0054 2824 ASP 85 OD2 -0.0077 0.0003 -0.0056 2825 LEU 86 N -0.0076 0.0002 -0.0060 2826 LEU 86 CA -0.0077 0.0002 -0.0061 2827 LEU 86 C -0.0076 0.0002 -0.0060 2828 LEU 86 O -0.0076 0.0002 -0.0059 2829 LEU 86 CB -0.0078 0.0001 -0.0064 2830 LEU 86 CG -0.0080 0.0001 -0.0065 2831 LEU 86 CD1 -0.0084 0.0002 -0.0064 2832 LEU 86 CD2 -0.0081 0.0000 -0.0069 2833 HIS 87 N -0.0072 0.0001 -0.0061 2834 HIS 87 CA -0.0071 0.0001 -0.0061 2835 HIS 87 C -0.0069 0.0002 -0.0057 2836 HIS 87 O -0.0069 0.0002 -0.0056 2837 HIS 87 CB -0.0067 0.0000 -0.0063 2838 HIS 87 CG -0.0068 -0.0001 -0.0066 2839 HIS 87 ND1 -0.0070 -0.0001 -0.0068 2840 HIS 87 CD2 -0.0068 -0.0001 -0.0068 2841 HIS 87 CE1 -0.0070 -0.0002 -0.0071 2842 HIS 87 NE2 -0.0069 -0.0002 -0.0071 2843 ALA 88 N -0.0077 -0.0023 -0.0059 2844 ALA 88 CA -0.0075 -0.0016 -0.0056 2845 ALA 88 C -0.0074 -0.0013 -0.0055 2846 ALA 88 O -0.0070 -0.0008 -0.0054 2847 ALA 88 CB -0.0079 -0.0011 -0.0053 2848 HIS 89 N -0.0082 -0.0015 -0.0054 2849 HIS 89 CA -0.0084 -0.0013 -0.0052 2850 HIS 89 C -0.0083 -0.0017 -0.0054 2851 HIS 89 O -0.0082 -0.0013 -0.0053 2852 HIS 89 CB -0.0093 -0.0010 -0.0048 2853 HIS 89 CG -0.0092 -0.0004 -0.0046 2854 HIS 89 ND1 -0.0088 0.0003 -0.0044 2855 HIS 89 CD2 -0.0097 -0.0005 -0.0045 2856 HIS 89 CE1 -0.0090 0.0004 -0.0043 2857 HIS 89 NE2 -0.0096 0.0001 -0.0043 2858 LYS 90 N -0.0081 -0.0023 -0.0057 2859 LYS 90 CA -0.0082 -0.0028 -0.0059 2860 LYS 90 C -0.0074 -0.0032 -0.0063 2861 LYS 90 O -0.0068 -0.0030 -0.0064 2862 LYS 90 CB -0.0089 -0.0034 -0.0060 2863 LYS 90 CG -0.0085 -0.0038 -0.0063 2864 LYS 90 CD -0.0094 -0.0044 -0.0063 2865 LYS 90 CE -0.0092 -0.0048 -0.0065 2866 LYS 90 NZ -0.0103 -0.0047 -0.0061 2867 LEU 91 N -0.0048 -0.0012 -0.0058 2868 LEU 91 CA -0.0048 -0.0012 -0.0056 2869 LEU 91 C -0.0044 -0.0019 -0.0046 2870 LEU 91 O -0.0047 -0.0018 -0.0041 2871 LEU 91 CB -0.0043 -0.0014 -0.0067 2872 LEU 91 CG -0.0047 -0.0008 -0.0075 2873 LEU 91 CD1 -0.0042 -0.0010 -0.0085 2874 LEU 91 CD2 -0.0055 -0.0001 -0.0073 2875 ARG 92 N -0.0037 -0.0026 -0.0046 2876 ARG 92 CA -0.0034 -0.0031 -0.0037 2877 ARG 92 C -0.0032 -0.0034 -0.0034 2878 ARG 92 O -0.0034 -0.0035 -0.0027 2879 ARG 92 CB -0.0039 -0.0029 -0.0028 2880 ARG 92 CG -0.0038 -0.0030 -0.0029 2881 ARG 92 CD -0.0044 -0.0027 -0.0021 2882 ARG 92 NE -0.0041 -0.0030 -0.0021 2883 ARG 92 CZ -0.0057 -0.0017 -0.0012 2884 ARG 92 NH1 -0.0061 -0.0010 -0.0022 2885 ARG 92 NH2 -0.0052 -0.0021 -0.0013 2886 VAL 93 N -0.0029 -0.0035 -0.0043 2887 VAL 93 CA -0.0026 -0.0037 -0.0042 2888 VAL 93 C -0.0019 -0.0046 -0.0038 2889 VAL 93 O -0.0013 -0.0051 -0.0042 2890 VAL 93 CB -0.0024 -0.0036 -0.0054 2891 VAL 93 CG1 -0.0020 -0.0040 -0.0054 2892 VAL 93 CG2 -0.0031 -0.0028 -0.0059 2893 ASP 94 N -0.0020 -0.0039 -0.0012 2894 ASP 94 CA -0.0016 -0.0045 -0.0009 2895 ASP 94 C -0.0017 -0.0057 -0.0015 2896 ASP 94 O -0.0016 -0.0063 -0.0016 2897 ASP 94 CB -0.0007 -0.0046 0.0001 2898 ASP 94 CG -0.0003 -0.0049 0.0005 2899 ASP 94 OD1 -0.0002 -0.0043 0.0008 2900 ASP 94 OD2 -0.0001 -0.0060 0.0003 2901 PRO 95 N -0.0018 -0.0059 -0.0017 2902 PRO 95 CA -0.0020 -0.0071 -0.0024 2903 PRO 95 C -0.0014 -0.0079 -0.0020 2904 PRO 95 O -0.0016 -0.0088 -0.0026 2905 PRO 95 CB -0.0021 -0.0071 -0.0025 2906 PRO 95 CG -0.0023 -0.0060 -0.0023 2907 PRO 95 CD -0.0019 -0.0052 -0.0016 2908 VAL 96 N -0.0006 -0.0081 -0.0011 2909 VAL 96 CA -0.0001 -0.0090 -0.0008 2910 VAL 96 C -0.0002 -0.0093 -0.0011 2911 VAL 96 O -0.0000 -0.0104 -0.0013 2912 VAL 96 CB 0.0007 -0.0087 0.0003 2913 VAL 96 CG1 0.0008 -0.0083 0.0005 2914 VAL 96 CG2 0.0009 -0.0080 0.0008 2915 ASN 97 N 0.0001 -0.0101 -0.0004 2916 ASN 97 CA -0.0003 -0.0101 -0.0013 2917 ASN 97 C -0.0003 -0.0107 -0.0027 2918 ASN 97 O -0.0005 -0.0109 -0.0035 2919 ASN 97 CB -0.0012 -0.0090 -0.0011 2920 ASN 97 CG -0.0012 -0.0083 0.0004 2921 ASN 97 OD1 -0.0008 -0.0085 0.0008 2922 ASN 97 ND2 -0.0014 -0.0077 0.0012 2923 PHE 98 N -0.0004 -0.0108 -0.0031 2924 PHE 98 CA -0.0005 -0.0113 -0.0045 2925 PHE 98 C 0.0005 -0.0126 -0.0050 2926 PHE 98 O 0.0003 -0.0129 -0.0061 2927 PHE 98 CB -0.0007 -0.0113 -0.0049 2928 PHE 98 CG -0.0018 -0.0101 -0.0047 2929 PHE 98 CD1 -0.0026 -0.0098 -0.0060 2930 PHE 98 CD2 -0.0019 -0.0094 -0.0036 2931 PHE 98 CE1 -0.0036 -0.0088 -0.0061 2932 PHE 98 CE2 -0.0031 -0.0083 -0.0039 2933 PHE 98 CZ -0.0039 -0.0079 -0.0050 2934 LYS 99 N 0.0013 -0.0130 -0.0039 2935 LYS 99 CA 0.0023 -0.0141 -0.0042 2936 LYS 99 C 0.0022 -0.0143 -0.0047 2937 LYS 99 O 0.0027 -0.0150 -0.0053 2938 LYS 99 CB 0.0033 -0.0147 -0.0031 2939 LYS 99 CG 0.0036 -0.0147 -0.0024 2940 LYS 99 CD 0.0048 -0.0154 -0.0011 2941 LYS 99 CE 0.0050 -0.0152 -0.0003 2942 LYS 99 NZ 0.0057 -0.0152 0.0012 2943 LEU 100 N 0.0021 -0.0161 -0.0035 2944 LEU 100 CA 0.0017 -0.0154 -0.0031 2945 LEU 100 C 0.0020 -0.0147 -0.0038 2946 LEU 100 O 0.0019 -0.0144 -0.0038 2947 LEU 100 CB 0.0012 -0.0151 -0.0024 2948 LEU 100 CG 0.0011 -0.0157 -0.0018 2949 LEU 100 CD1 0.0006 -0.0153 -0.0011 2950 LEU 100 CD2 0.0010 -0.0163 -0.0015 2951 LEU 101 N 0.0022 -0.0143 -0.0043 2952 LEU 101 CA 0.0023 -0.0136 -0.0049 2953 LEU 101 C 0.0028 -0.0140 -0.0055 2954 LEU 101 O 0.0028 -0.0135 -0.0058 2955 LEU 101 CB 0.0025 -0.0132 -0.0054 2956 LEU 101 CG 0.0028 -0.0125 -0.0061 2957 LEU 101 CD1 0.0024 -0.0118 -0.0058 2958 LEU 101 CD2 0.0029 -0.0121 -0.0065 2959 SER 102 N 0.0031 -0.0149 -0.0057 2960 SER 102 CA 0.0035 -0.0153 -0.0063 2961 SER 102 C 0.0033 -0.0153 -0.0059 2962 SER 102 O 0.0036 -0.0151 -0.0064 2963 SER 102 CB 0.0038 -0.0162 -0.0064 2964 SER 102 OG 0.0040 -0.0162 -0.0068 2965 HIS 103 N 0.0027 -0.0122 -0.0037 2966 HIS 103 CA 0.0021 -0.0114 -0.0039 2967 HIS 103 C 0.0019 -0.0103 -0.0041 2968 HIS 103 O 0.0020 -0.0093 -0.0044 2969 HIS 103 CB 0.0010 -0.0119 -0.0037 2970 HIS 103 CG 0.0002 -0.0112 -0.0038 2971 HIS 103 ND1 -0.0011 -0.0108 -0.0038 2972 HIS 103 CD2 0.0004 -0.0106 -0.0040 2973 HIS 103 CE1 -0.0014 -0.0101 -0.0040 2974 HIS 103 NE2 -0.0006 -0.0100 -0.0041 2975 CYS 104 N 0.0013 -0.0103 -0.0041 2976 CYS 104 CA 0.0010 -0.0092 -0.0043 2977 CYS 104 C 0.0022 -0.0085 -0.0046 2978 CYS 104 O 0.0020 -0.0074 -0.0048 2979 CYS 104 CB 0.0002 -0.0095 -0.0042 2980 CYS 104 SG -0.0013 -0.0101 -0.0040 2981 LEU 105 N 0.0032 -0.0091 -0.0045 2982 LEU 105 CA 0.0042 -0.0084 -0.0047 2983 LEU 105 C 0.0045 -0.0078 -0.0049 2984 LEU 105 O 0.0049 -0.0067 -0.0052 2985 LEU 105 CB 0.0052 -0.0092 -0.0046 2986 LEU 105 CG 0.0063 -0.0088 -0.0048 2987 LEU 105 CD1 0.0058 -0.0088 -0.0047 2988 LEU 105 CD2 0.0067 -0.0106 -0.0044 2989 LEU 106 N 0.0019 -0.0087 -0.0008 2990 LEU 106 CA 0.0019 -0.0075 -0.0009 2991 LEU 106 C 0.0008 -0.0061 -0.0011 2992 LEU 106 O 0.0014 -0.0047 -0.0012 2993 LEU 106 CB 0.0018 -0.0086 -0.0008 2994 LEU 106 CG 0.0031 -0.0097 -0.0007 2995 LEU 106 CD1 0.0024 -0.0106 -0.0007 2996 LEU 106 CD2 0.0049 -0.0090 -0.0007 2997 VAL 107 N -0.0007 -0.0062 -0.0011 2998 VAL 107 CA -0.0022 -0.0051 -0.0013 2999 VAL 107 C -0.0015 -0.0035 -0.0014 3000 VAL 107 O -0.0013 -0.0019 -0.0015 3001 VAL 107 CB -0.0039 -0.0056 -0.0013 3002 VAL 107 CG1 -0.0049 -0.0041 -0.0014 3003 VAL 107 CG2 -0.0046 -0.0067 -0.0012 3004 THR 108 N -0.0006 -0.0040 -0.0013 3005 THR 108 CA -0.0001 -0.0028 -0.0014 3006 THR 108 C 0.0015 -0.0018 -0.0014 3007 THR 108 O 0.0017 -0.0002 -0.0016 3008 THR 108 CB 0.0006 -0.0039 -0.0013 3009 THR 108 OG1 -0.0008 -0.0049 -0.0012 3010 THR 108 CG2 0.0013 -0.0027 -0.0014 3011 LEU 109 N 0.0018 -0.0009 0.0052 3012 LEU 109 CA 0.0026 0.0004 0.0064 3013 LEU 109 C 0.0016 0.0021 0.0062 3014 LEU 109 O 0.0021 0.0034 0.0070 3015 LEU 109 CB 0.0034 -0.0003 0.0066 3016 LEU 109 CG 0.0047 -0.0018 0.0071 3017 LEU 109 CD1 0.0050 -0.0025 0.0071 3018 LEU 109 CD2 0.0057 -0.0017 0.0079 3019 ALA 110 N 0.0002 0.0023 0.0052 3020 ALA 110 CA -0.0010 0.0040 0.0049 3021 ALA 110 C -0.0010 0.0047 0.0052 3022 ALA 110 O -0.0013 0.0064 0.0056 3023 ALA 110 CB -0.0024 0.0036 0.0037 3024 ALA 111 N -0.0013 0.0037 0.0046 3025 ALA 111 CA -0.0017 0.0043 0.0045 3026 ALA 111 C -0.0003 0.0051 0.0059 3027 ALA 111 O -0.0007 0.0058 0.0058 3028 ALA 111 CB -0.0020 0.0028 0.0037 3029 HIS 112 N 0.0010 0.0072 0.0109 3030 HIS 112 CA 0.0024 0.0077 0.0119 3031 HIS 112 C 0.0033 0.0090 0.0127 3032 HIS 112 O 0.0044 0.0098 0.0136 3033 HIS 112 CB 0.0035 0.0059 0.0123 3034 HIS 112 CG 0.0026 0.0053 0.0117 3035 HIS 112 ND1 0.0015 0.0032 0.0106 3036 HIS 112 CD2 0.0025 0.0053 0.0116 3037 HIS 112 CE1 0.0011 0.0029 0.0102 3038 HIS 112 NE2 0.0016 0.0041 0.0108 3039 LEU 113 N 0.0035 0.0092 0.0129 3040 LEU 113 CA 0.0044 0.0103 0.0137 3041 LEU 113 C 0.0032 0.0119 0.0131 3042 LEU 113 O 0.0038 0.0117 0.0135 3043 LEU 113 CB 0.0053 0.0091 0.0140 3044 LEU 113 CG 0.0065 0.0079 0.0147 3045 LEU 113 CD1 0.0070 0.0069 0.0149 3046 LEU 113 CD2 0.0074 0.0082 0.0153 3047 PRO 114 N 0.0026 0.0134 0.0129 3048 PRO 114 CA 0.0011 0.0151 0.0121 3049 PRO 114 C 0.0025 0.0163 0.0133 3050 PRO 114 O 0.0024 0.0155 0.0131 3051 PRO 114 CB 0.0004 0.0155 0.0117 3052 PRO 114 CG 0.0021 0.0159 0.0129 3053 PRO 114 CD 0.0027 0.0136 0.0130 3054 ALA 115 N 0.0038 0.0165 0.0188 3055 ALA 115 CA 0.0046 0.0177 0.0200 3056 ALA 115 C 0.0053 0.0161 0.0195 3057 ALA 115 O 0.0048 0.0169 0.0196 3058 ALA 115 CB 0.0068 0.0206 0.0231 3059 GLU 116 N 0.0072 0.0130 0.0187 3060 GLU 116 CA 0.0090 0.0109 0.0186 3061 GLU 116 C 0.0069 0.0085 0.0158 3062 GLU 116 O 0.0073 0.0081 0.0157 3063 GLU 116 CB 0.0117 0.0078 0.0183 3064 GLU 116 CG 0.0131 0.0098 0.0204 3065 GLU 116 CD 0.0152 0.0112 0.0225 3066 GLU 116 OE1 0.0154 0.0119 0.0231 3067 GLU 116 OE2 0.0153 0.0132 0.0239 3068 PHE 117 N 0.0047 0.0081 0.0142 3069 PHE 117 CA 0.0022 0.0064 0.0115 3070 PHE 117 C -0.0006 0.0081 0.0109 3071 PHE 117 O -0.0033 0.0085 0.0094 3072 PHE 117 CB 0.0012 0.0048 0.0099 3073 PHE 117 CG 0.0000 0.0019 0.0074 3074 PHE 117 CD1 0.0024 -0.0013 0.0069 3075 PHE 117 CD2 -0.0033 0.0018 0.0053 3076 PHE 117 CE1 0.0010 -0.0044 0.0041 3077 PHE 117 CE2 -0.0047 -0.0009 0.0028 3078 PHE 117 CZ -0.0022 -0.0038 0.0025 3079 THR 118 N 0.0029 0.0006 0.0079 3080 THR 118 CA 0.0012 0.0021 0.0074 3081 THR 118 C 0.0003 0.0002 0.0059 3082 THR 118 O 0.0011 -0.0023 0.0055 3083 THR 118 CB 0.0033 0.0030 0.0090 3084 THR 118 OG1 0.0042 0.0049 0.0105 3085 THR 118 CG2 0.0047 0.0017 0.0094 3086 PRO 119 N -0.0011 0.0011 0.0054 3087 PRO 119 CA -0.0020 -0.0006 0.0041 3088 PRO 119 C 0.0000 -0.0024 0.0047 3089 PRO 119 O -0.0000 -0.0047 0.0037 3090 PRO 119 CB -0.0038 0.0010 0.0036 3091 PRO 119 CG -0.0048 0.0036 0.0040 3092 PRO 119 CD -0.0027 0.0040 0.0056 3093 ALA 120 N 0.0016 -0.0013 0.0062 3094 ALA 120 CA 0.0033 -0.0028 0.0067 3095 ALA 120 C 0.0050 -0.0048 0.0070 3096 ALA 120 O 0.0059 -0.0071 0.0066 3097 ALA 120 CB 0.0049 -0.0011 0.0084 3098 VAL 121 N 0.0033 -0.0046 0.0109 3099 VAL 121 CA 0.0043 -0.0067 0.0112 3100 VAL 121 C 0.0038 -0.0083 0.0094 3101 VAL 121 O 0.0045 -0.0099 0.0096 3102 VAL 121 CB 0.0048 -0.0066 0.0123 3103 VAL 121 CG1 0.0056 -0.0088 0.0123 3104 VAL 121 CG2 0.0055 -0.0054 0.0143 3105 HIS 122 N 0.0027 -0.0076 0.0078 3106 HIS 122 CA 0.0020 -0.0090 0.0058 3107 HIS 122 C 0.0021 -0.0096 0.0056 3108 HIS 122 O 0.0025 -0.0114 0.0050 3109 HIS 122 CB 0.0009 -0.0078 0.0045 3110 HIS 122 CG 0.0000 -0.0085 0.0025 3111 HIS 122 ND1 -0.0011 -0.0077 0.0010 3112 HIS 122 CD2 0.0003 -0.0105 0.0017 3113 HIS 122 CE1 -0.0016 -0.0088 -0.0007 3114 HIS 122 NE2 -0.0009 -0.0106 -0.0004 3115 ALA 123 N 0.0019 -0.0081 0.0060 3116 ALA 123 CA 0.0018 -0.0086 0.0056 3117 ALA 123 C 0.0030 -0.0101 0.0068 3118 ALA 123 O 0.0032 -0.0116 0.0062 3119 ALA 123 CB 0.0012 -0.0064 0.0060 3120 SER 124 N -0.0002 -0.0115 0.0102 3121 SER 124 CA 0.0006 -0.0118 0.0100 3122 SER 124 C 0.0018 -0.0123 0.0098 3123 SER 124 O 0.0022 -0.0125 0.0091 3124 SER 124 CB 0.0007 -0.0116 0.0113 3125 SER 124 OG -0.0004 -0.0111 0.0116 3126 LEU 125 N 0.0021 -0.0123 0.0103 3127 LEU 125 CA 0.0032 -0.0127 0.0100 3128 LEU 125 C 0.0033 -0.0130 0.0088 3129 LEU 125 O 0.0040 -0.0134 0.0081 3130 LEU 125 CB 0.0035 -0.0127 0.0108 3131 LEU 125 CG 0.0040 -0.0127 0.0120 3132 LEU 125 CD1 0.0040 -0.0126 0.0128 3133 LEU 125 CD2 0.0051 -0.0131 0.0120 3134 ASP 126 N 0.0024 -0.0127 0.0083 3135 ASP 126 CA 0.0023 -0.0129 0.0071 3136 ASP 126 C 0.0023 -0.0130 0.0064 3137 ASP 126 O 0.0028 -0.0134 0.0055 3138 ASP 126 CB 0.0013 -0.0126 0.0069 3139 ASP 126 CG 0.0013 -0.0128 0.0056 3140 ASP 126 OD1 0.0022 -0.0132 0.0055 3141 ASP 126 OD2 0.0007 -0.0127 0.0049 3142 LYS 127 N -0.0001 -0.0132 0.0132 3143 LYS 127 CA 0.0002 -0.0137 0.0126 3144 LYS 127 C -0.0001 -0.0122 0.0117 3145 LYS 127 O -0.0001 -0.0120 0.0118 3146 LYS 127 CB 0.0008 -0.0150 0.0113 3147 LYS 127 CG 0.0010 -0.0164 0.0123 3148 LYS 127 CD 0.0016 -0.0178 0.0111 3149 LYS 127 CE 0.0019 -0.0181 0.0101 3150 LYS 127 NZ 0.0025 -0.0195 0.0091 3151 PHE 128 N -0.0001 -0.0114 0.0108 3152 PHE 128 CA -0.0003 -0.0102 0.0099 3153 PHE 128 C -0.0009 -0.0087 0.0111 3154 PHE 128 O -0.0010 -0.0082 0.0106 3155 PHE 128 CB -0.0003 -0.0093 0.0087 3156 PHE 128 CG -0.0006 -0.0075 0.0079 3157 PHE 128 CD1 -0.0003 -0.0076 0.0067 3158 PHE 128 CD2 -0.0010 -0.0066 0.0086 3159 PHE 128 CE1 -0.0007 -0.0060 0.0062 3160 PHE 128 CE2 -0.0013 -0.0050 0.0079 3161 PHE 128 CZ -0.0011 -0.0048 0.0067 3162 LEU 129 N -0.0012 -0.0084 0.0122 3163 LEU 129 CA -0.0018 -0.0071 0.0133 3164 LEU 129 C -0.0018 -0.0078 0.0143 3165 LEU 129 O -0.0021 -0.0069 0.0146 3166 LEU 129 CB -0.0021 -0.0068 0.0145 3167 LEU 129 CG -0.0022 -0.0059 0.0137 3168 LEU 129 CD1 -0.0024 -0.0057 0.0146 3169 LEU 129 CD2 -0.0025 -0.0044 0.0130 3170 ALA 130 N -0.0040 -0.0057 0.0138 3171 ALA 130 CA -0.0038 -0.0052 0.0143 3172 ALA 130 C -0.0046 -0.0041 0.0130 3173 ALA 130 O -0.0047 -0.0025 0.0134 3174 ALA 130 CB -0.0033 -0.0067 0.0148 3175 SER 131 N -0.0054 -0.0049 0.0115 3176 SER 131 CA -0.0064 -0.0039 0.0099 3177 SER 131 C -0.0070 -0.0017 0.0095 3178 SER 131 O -0.0072 -0.0005 0.0094 3179 SER 131 CB -0.0072 -0.0052 0.0079 3180 SER 131 OG -0.0067 -0.0071 0.0084 3181 VAL 132 N -0.0068 -0.0016 0.0097 3182 VAL 132 CA -0.0072 0.0003 0.0096 3183 VAL 132 C -0.0067 0.0018 0.0111 3184 VAL 132 O -0.0071 0.0037 0.0108 3185 VAL 132 CB -0.0071 0.0002 0.0097 3186 VAL 132 CG1 -0.0073 0.0023 0.0100 3187 VAL 132 CG2 -0.0080 -0.0009 0.0078 3188 SER 133 N -0.0071 -0.0006 0.0095 3189 SER 133 CA -0.0054 0.0009 0.0092 3190 SER 133 C -0.0063 0.0028 0.0076 3191 SER 133 O -0.0048 0.0048 0.0068 3192 SER 133 CB -0.0041 0.0004 0.0101 3193 SER 133 OG -0.0029 -0.0011 0.0115 3194 THR 134 N -0.0080 0.0028 0.0070 3195 THR 134 CA -0.0092 0.0045 0.0053 3196 THR 134 C -0.0099 0.0057 0.0043 3197 THR 134 O -0.0091 0.0078 0.0032 3198 THR 134 CB -0.0115 0.0035 0.0051 3199 THR 134 OG1 -0.0107 0.0029 0.0058 3200 THR 134 CG2 -0.0128 0.0052 0.0035 3201 VAL 135 N -0.0107 0.0046 0.0047 3202 VAL 135 CA -0.0115 0.0058 0.0036 3203 VAL 135 C -0.0090 0.0072 0.0037 3204 VAL 135 O -0.0091 0.0089 0.0025 3205 VAL 135 CB -0.0129 0.0042 0.0041 3206 VAL 135 CG1 -0.0132 0.0053 0.0033 3207 VAL 135 CG2 -0.0152 0.0033 0.0038 3208 LEU 136 N -0.0076 0.0015 0.0014 3209 LEU 136 CA -0.0065 0.0016 0.0013 3210 LEU 136 C -0.0066 0.0013 0.0001 3211 LEU 136 O -0.0056 0.0013 -0.0003 3212 LEU 136 CB -0.0064 0.0019 0.0024 3213 LEU 136 CG -0.0060 0.0022 0.0035 3214 LEU 136 CD1 -0.0057 0.0025 0.0044 3215 LEU 136 CD2 -0.0048 0.0023 0.0032 3216 THR 137 N -0.0078 0.0011 -0.0003 3217 THR 137 CA -0.0080 0.0008 -0.0013 3218 THR 137 C -0.0082 0.0005 -0.0026 3219 THR 137 O -0.0084 0.0003 -0.0034 3220 THR 137 CB -0.0092 0.0008 -0.0010 3221 THR 137 OG1 -0.0101 0.0007 -0.0009 3222 THR 137 CG2 -0.0086 0.0011 -0.0001 3223 SER 138 N -0.0083 0.0005 -0.0025 3224 SER 138 CA -0.0086 0.0002 -0.0036 3225 SER 138 C -0.0077 -0.0000 -0.0048 3226 SER 138 O -0.0082 -0.0003 -0.0056 3227 SER 138 CB -0.0077 0.0004 -0.0030 3228 SER 138 OG -0.0089 0.0003 -0.0031 3229 LYS 139 N -0.0061 -0.0022 -0.0059 3230 LYS 139 CA -0.0069 -0.0012 -0.0054 3231 LYS 139 C -0.0065 -0.0006 -0.0044 3232 LYS 139 O -0.0071 0.0002 -0.0040 3233 LYS 139 CB -0.0079 -0.0011 -0.0061 3234 LYS 139 CG -0.0083 -0.0015 -0.0068 3235 LYS 139 CD -0.0091 -0.0014 -0.0075 3236 LYS 139 CE -0.0097 -0.0016 -0.0083 3237 LYS 139 NZ -0.0105 -0.0017 -0.0090 3238 TYR 140 N -0.0056 -0.0011 -0.0041 3239 TYR 140 CA -0.0053 -0.0006 -0.0033 3240 TYR 140 C -0.0051 0.0001 -0.0024 3241 TYR 140 O -0.0053 0.0008 -0.0018 3242 TYR 140 CB -0.0042 -0.0013 -0.0032 3243 TYR 140 CG -0.0043 -0.0017 -0.0038 3244 TYR 140 CD1 -0.0038 -0.0018 -0.0034 3245 TYR 140 CD2 -0.0050 -0.0021 -0.0048 3246 TYR 140 CE1 -0.0040 -0.0021 -0.0040 3247 TYR 140 CE2 -0.0052 -0.0025 -0.0054 3248 TYR 140 CZ -0.0047 -0.0026 -0.0050 3249 TYR 140 OH -0.0047 -0.0028 -0.0054 3250 ARG 141 N -0.0047 -0.0000 -0.0022 3251 ARG 141 CA -0.0045 0.0007 -0.0013 3252 ARG 141 C -0.0048 0.0007 -0.0014 3253 ARG 141 O -0.0047 0.0000 -0.0021 3254 ARG 141 CB -0.0035 0.0006 -0.0004 3255 ARG 141 CG -0.0025 -0.0003 -0.0007 3256 ARG 141 CD -0.0016 -0.0000 0.0004 3257 ARG 141 NE -0.0007 -0.0010 0.0002 3258 ARG 141 CZ 0.0003 -0.0010 0.0009 3259 ARG 141 NH1 0.0005 -0.0004 0.0018 3260 ARG 141 NH2 0.0010 -0.0019 0.0005 3261 ARG 141 OXT -0.0047 0.0014 -0.0006 3262 VAL 1 N 0.0077 -0.0070 0.0075 3263 VAL 1 CA 0.0065 -0.0051 0.0064 3264 VAL 1 C 0.0070 -0.0041 0.0072 3265 VAL 1 O 0.0076 -0.0056 0.0076 3266 VAL 1 CB 0.0052 -0.0056 0.0045 3267 VAL 1 CG1 0.0045 -0.0061 0.0034 3268 VAL 1 CG2 0.0053 -0.0071 0.0042 3269 HIS 2 N 0.0061 -0.0030 0.0062 3270 HIS 2 CA 0.0059 -0.0020 0.0062 3271 HIS 2 C 0.0052 -0.0025 0.0051 3272 HIS 2 O 0.0041 -0.0009 0.0040 3273 HIS 2 CB 0.0069 0.0004 0.0080 3274 HIS 2 CG 0.0072 0.0007 0.0085 3275 HIS 2 ND1 0.0054 0.0028 0.0064 3276 HIS 2 CD2 0.0078 0.0006 0.0093 3277 HIS 2 CE1 0.0053 0.0032 0.0064 3278 HIS 2 NE2 0.0068 0.0016 0.0081 3279 LEU 3 N 0.0058 -0.0035 0.0057 3280 LEU 3 CA 0.0049 -0.0041 0.0044 3281 LEU 3 C 0.0051 -0.0023 0.0050 3282 LEU 3 O 0.0062 -0.0035 0.0063 3283 LEU 3 CB 0.0048 -0.0060 0.0038 3284 LEU 3 CG 0.0042 -0.0067 0.0028 3285 LEU 3 CD1 0.0039 -0.0086 0.0021 3286 LEU 3 CD2 0.0030 -0.0061 0.0014 3287 THR 4 N 0.0057 0.0031 0.0066 3288 THR 4 CA 0.0063 0.0062 0.0082 3289 THR 4 C 0.0065 0.0044 0.0107 3290 THR 4 O 0.0056 -0.0002 0.0080 3291 THR 4 CB 0.0061 0.0116 0.0042 3292 THR 4 OG1 0.0054 0.0095 0.0010 3293 THR 4 CG2 0.0062 0.0139 0.0029 3294 PRO 5 N 0.0071 0.0055 0.0135 3295 PRO 5 CA 0.0067 0.0005 0.0142 3296 PRO 5 C 0.0061 0.0010 0.0105 3297 PRO 5 O 0.0056 -0.0020 0.0094 3298 PRO 5 CB 0.0081 0.0073 0.0182 3299 PRO 5 CG 0.0085 0.0096 0.0196 3300 PRO 5 CD 0.0082 0.0094 0.0179 3301 GLU 6 N 0.0059 0.0048 0.0068 3302 GLU 6 CA 0.0054 0.0056 0.0037 3303 GLU 6 C 0.0039 0.0002 -0.0023 3304 GLU 6 O 0.0036 -0.0015 -0.0034 3305 GLU 6 CB 0.0051 0.0102 -0.0009 3306 GLU 6 CG 0.0055 0.0129 -0.0004 3307 GLU 6 CD 0.0069 0.0175 0.0053 3308 GLU 6 OE1 0.0073 0.0165 0.0080 3309 GLU 6 OE2 0.0068 0.0150 0.0063 3310 GLU 7 N 0.0025 -0.0025 -0.0003 3311 GLU 7 CA 0.0020 -0.0036 -0.0013 3312 GLU 7 C 0.0025 -0.0056 -0.0003 3313 GLU 7 O 0.0019 -0.0067 -0.0013 3314 GLU 7 CB 0.0021 -0.0028 -0.0010 3315 GLU 7 CG 0.0015 -0.0007 -0.0023 3316 GLU 7 CD 0.0018 0.0001 -0.0018 3317 GLU 7 OE1 0.0009 0.0007 -0.0034 3318 GLU 7 OE2 0.0023 -0.0001 -0.0007 3319 LYS 8 N 0.0032 -0.0055 0.0011 3320 LYS 8 CA 0.0036 -0.0076 0.0019 3321 LYS 8 C 0.0035 -0.0087 0.0018 3322 LYS 8 O 0.0032 -0.0102 0.0011 3323 LYS 8 CB 0.0047 -0.0067 0.0039 3324 LYS 8 CG 0.0049 -0.0090 0.0042 3325 LYS 8 CD 0.0056 -0.0088 0.0056 3326 LYS 8 CE 0.0060 -0.0114 0.0064 3327 LYS 8 NZ 0.0071 -0.0115 0.0084 3328 SER 9 N 0.0035 -0.0079 0.0016 3329 SER 9 CA 0.0032 -0.0090 0.0011 3330 SER 9 C 0.0023 -0.0095 -0.0006 3331 SER 9 O 0.0021 -0.0109 -0.0008 3332 SER 9 CB 0.0036 -0.0082 0.0018 3333 SER 9 OG 0.0033 -0.0077 0.0013 3334 ALA 10 N -0.0022 -0.0073 -0.0006 3335 ALA 10 CA -0.0020 -0.0072 0.0000 3336 ALA 10 C -0.0021 -0.0066 0.0001 3337 ALA 10 O -0.0021 -0.0062 0.0005 3338 ALA 10 CB -0.0018 -0.0075 0.0001 3339 VAL 11 N -0.0023 -0.0066 -0.0003 3340 VAL 11 CA -0.0025 -0.0061 -0.0003 3341 VAL 11 C -0.0027 -0.0055 -0.0003 3342 VAL 11 O -0.0026 -0.0052 0.0000 3343 VAL 11 CB -0.0026 -0.0062 -0.0008 3344 VAL 11 CG1 -0.0028 -0.0058 -0.0008 3345 VAL 11 CG2 -0.0024 -0.0067 -0.0005 3346 THR 12 N -0.0028 -0.0056 -0.0008 3347 THR 12 CA -0.0031 -0.0051 -0.0009 3348 THR 12 C -0.0030 -0.0049 -0.0005 3349 THR 12 O -0.0030 -0.0043 -0.0002 3350 THR 12 CB -0.0033 -0.0054 -0.0015 3351 THR 12 OG1 -0.0034 -0.0053 -0.0019 3352 THR 12 CG2 -0.0034 -0.0049 -0.0015 3353 ALA 13 N -0.0037 -0.0001 -0.0001 3354 ALA 13 CA -0.0040 -0.0006 -0.0002 3355 ALA 13 C -0.0042 -0.0004 0.0002 3356 ALA 13 O -0.0041 -0.0004 0.0001 3357 ALA 13 CB -0.0043 -0.0010 -0.0002 3358 LEU 14 N -0.0044 -0.0000 0.0008 3359 LEU 14 CA -0.0046 0.0002 0.0011 3360 LEU 14 C -0.0042 0.0008 0.0011 3361 LEU 14 O -0.0042 0.0008 0.0012 3362 LEU 14 CB -0.0051 0.0004 0.0018 3363 LEU 14 CG -0.0053 0.0006 0.0023 3364 LEU 14 CD1 -0.0059 -0.0001 0.0023 3365 LEU 14 CD2 -0.0056 0.0009 0.0028 3366 TRP 15 N -0.0037 0.0011 0.0010 3367 TRP 15 CA -0.0033 0.0017 0.0010 3368 TRP 15 C -0.0030 0.0015 0.0005 3369 TRP 15 O -0.0028 0.0018 0.0006 3370 TRP 15 CB -0.0030 0.0021 0.0010 3371 TRP 15 CG -0.0026 0.0027 0.0011 3372 TRP 15 CD1 -0.0021 0.0030 0.0008 3373 TRP 15 CD2 -0.0029 0.0031 0.0017 3374 TRP 15 NE1 -0.0019 0.0035 0.0011 3375 TRP 15 CE2 -0.0024 0.0037 0.0017 3376 TRP 15 CE3 -0.0033 0.0031 0.0023 3377 TRP 15 CZ2 -0.0024 0.0042 0.0022 3378 TRP 15 CZ3 -0.0034 0.0037 0.0028 3379 TRP 15 CH2 -0.0028 0.0042 0.0026 3380 GLY 16 N -0.0033 0.0064 -0.0015 3381 GLY 16 CA -0.0031 0.0069 -0.0022 3382 GLY 16 C -0.0029 0.0071 -0.0018 3383 GLY 16 O -0.0025 0.0076 -0.0023 3384 LYS 17 N -0.0030 0.0068 -0.0011 3385 LYS 17 CA -0.0029 0.0069 -0.0007 3386 LYS 17 C -0.0024 0.0075 -0.0001 3387 LYS 17 O -0.0020 0.0078 0.0006 3388 LYS 17 CB -0.0033 0.0062 -0.0002 3389 LYS 17 CG -0.0038 0.0057 -0.0009 3390 LYS 17 CD -0.0041 0.0052 -0.0003 3391 LYS 17 CE -0.0046 0.0044 -0.0002 3392 LYS 17 NZ -0.0045 0.0045 0.0001 3393 VAL 18 N -0.0022 0.0077 0.0003 3394 VAL 18 CA -0.0017 0.0082 0.0012 3395 VAL 18 C -0.0011 0.0091 0.0007 3396 VAL 18 O -0.0012 0.0091 0.0000 3397 VAL 18 CB -0.0018 0.0081 0.0015 3398 VAL 18 CG1 -0.0014 0.0085 0.0020 3399 VAL 18 CG2 -0.0024 0.0072 0.0020 3400 ASN 19 N -0.0001 0.0110 -0.0002 3401 ASN 19 CA 0.0011 0.0099 -0.0002 3402 ASN 19 C 0.0017 0.0097 0.0009 3403 ASN 19 O 0.0016 0.0097 0.0006 3404 ASN 19 CB 0.0014 0.0094 -0.0018 3405 ASN 19 CG 0.0027 0.0082 -0.0018 3406 ASN 19 OD1 0.0035 0.0076 -0.0011 3407 ASN 19 ND2 0.0030 0.0075 -0.0034 3408 VAL 20 N 0.0022 0.0094 0.0021 3409 VAL 20 CA 0.0027 0.0092 0.0033 3410 VAL 20 C 0.0031 0.0088 0.0030 3411 VAL 20 O 0.0034 0.0086 0.0033 3412 VAL 20 CB 0.0030 0.0095 0.0054 3413 VAL 20 CG1 0.0021 0.0102 0.0052 3414 VAL 20 CG2 0.0037 0.0088 0.0054 3415 ASP 21 N 0.0041 0.0078 0.0022 3416 ASP 21 CA 0.0046 0.0071 0.0013 3417 ASP 21 C 0.0044 0.0071 0.0006 3418 ASP 21 O 0.0045 0.0071 0.0010 3419 ASP 21 CB 0.0055 0.0061 0.0005 3420 ASP 21 CG 0.0063 0.0056 0.0016 3421 ASP 21 OD1 0.0066 0.0057 0.0034 3422 ASP 21 OD2 0.0072 0.0047 0.0012 3423 GLU 22 N 0.0008 0.0090 -0.0013 3424 GLU 22 CA 0.0008 0.0091 -0.0017 3425 GLU 22 C 0.0003 0.0090 -0.0008 3426 GLU 22 O 0.0005 0.0090 -0.0008 3427 GLU 22 CB 0.0004 0.0096 -0.0026 3428 GLU 22 CG 0.0001 0.0098 -0.0026 3429 GLU 22 CD -0.0002 0.0104 -0.0040 3430 GLU 22 OE1 -0.0011 0.0109 -0.0043 3431 GLU 22 OE2 0.0005 0.0102 -0.0045 3432 VAL 23 N -0.0005 0.0094 -0.0006 3433 VAL 23 CA -0.0011 0.0094 0.0001 3434 VAL 23 C -0.0006 0.0089 0.0010 3435 VAL 23 O -0.0006 0.0088 0.0014 3436 VAL 23 CB -0.0021 0.0098 0.0004 3437 VAL 23 CG1 -0.0025 0.0097 0.0012 3438 VAL 23 CG2 -0.0024 0.0103 -0.0006 3439 GLY 24 N -0.0003 0.0086 0.0014 3440 GLY 24 CA 0.0001 0.0081 0.0022 3441 GLY 24 C 0.0009 0.0078 0.0021 3442 GLY 24 O 0.0011 0.0075 0.0026 3443 GLY 25 N -0.0005 0.0075 -0.0003 3444 GLY 25 CA -0.0003 0.0076 -0.0002 3445 GLY 25 C -0.0002 0.0075 -0.0001 3446 GLY 25 O -0.0000 0.0073 -0.0001 3447 GLU 26 N -0.0001 0.0074 -0.0001 3448 GLU 26 CA 0.0001 0.0073 -0.0000 3449 GLU 26 C 0.0000 0.0070 -0.0001 3450 GLU 26 O 0.0002 0.0069 0.0000 3451 GLU 26 CB 0.0001 0.0074 0.0000 3452 GLU 26 CG 0.0004 0.0076 0.0002 3453 GLU 26 CD 0.0003 0.0073 0.0001 3454 GLU 26 OE1 0.0006 0.0073 0.0003 3455 GLU 26 OE2 0.0003 0.0074 0.0001 3456 ALA 27 N -0.0001 0.0070 -0.0002 3457 ALA 27 CA -0.0002 0.0067 -0.0002 3458 ALA 27 C -0.0001 0.0066 -0.0002 3459 ALA 27 O -0.0000 0.0064 -0.0002 3460 ALA 27 CB -0.0004 0.0066 -0.0003 3461 LEU 28 N 0.0007 0.0047 -0.0023 3462 LEU 28 CA 0.0005 0.0053 -0.0024 3463 LEU 28 C 0.0001 0.0055 -0.0019 3464 LEU 28 O -0.0001 0.0059 -0.0019 3465 LEU 28 CB 0.0004 0.0058 -0.0027 3466 LEU 28 CG 0.0002 0.0064 -0.0029 3467 LEU 28 CD1 0.0005 0.0064 -0.0033 3468 LEU 28 CD2 0.0002 0.0068 -0.0031 3469 GLY 29 N -0.0002 0.0053 -0.0014 3470 GLY 29 CA -0.0005 0.0054 -0.0008 3471 GLY 29 C -0.0005 0.0052 -0.0007 3472 GLY 29 O -0.0008 0.0055 -0.0004 3473 ARG 30 N -0.0002 0.0046 -0.0007 3474 ARG 30 CA -0.0002 0.0044 -0.0005 3475 ARG 30 C -0.0001 0.0047 -0.0009 3476 ARG 30 O -0.0003 0.0048 -0.0007 3477 ARG 30 CB 0.0001 0.0037 -0.0005 3478 ARG 30 CG -0.0001 0.0033 0.0001 3479 ARG 30 CD 0.0002 0.0027 0.0001 3480 ARG 30 NE 0.0001 0.0023 0.0005 3481 ARG 30 CZ -0.0000 0.0020 0.0010 3482 ARG 30 NH1 -0.0001 0.0016 0.0014 3483 ARG 30 NH2 0.0000 0.0018 0.0011 3484 LEU 31 N 0.0006 0.0002 -0.0062 3485 LEU 31 CA 0.0005 -0.0000 -0.0065 3486 LEU 31 C 0.0006 0.0002 -0.0061 3487 LEU 31 O 0.0008 -0.0001 -0.0060 3488 LEU 31 CB 0.0001 0.0000 -0.0073 3489 LEU 31 CG -0.0000 -0.0003 -0.0077 3490 LEU 31 CD1 0.0001 -0.0011 -0.0079 3491 LEU 31 CD2 -0.0004 0.0001 -0.0083 3492 LEU 32 N 0.0004 0.0010 -0.0060 3493 LEU 32 CA 0.0005 0.0013 -0.0057 3494 LEU 32 C 0.0009 0.0012 -0.0050 3495 LEU 32 O 0.0010 0.0013 -0.0048 3496 LEU 32 CB 0.0002 0.0021 -0.0058 3497 LEU 32 CG -0.0001 0.0023 -0.0065 3498 LEU 32 CD1 -0.0004 0.0031 -0.0065 3499 LEU 32 CD2 -0.0003 0.0021 -0.0069 3500 VAL 33 N 0.0011 0.0010 -0.0047 3501 VAL 33 CA 0.0015 0.0009 -0.0039 3502 VAL 33 C 0.0017 0.0001 -0.0039 3503 VAL 33 O 0.0019 -0.0000 -0.0035 3504 VAL 33 CB 0.0016 0.0010 -0.0036 3505 VAL 33 CG1 0.0020 0.0007 -0.0029 3506 VAL 33 CG2 0.0014 0.0018 -0.0035 3507 VAL 34 N 0.0015 -0.0024 -0.0043 3508 VAL 34 CA 0.0021 -0.0032 -0.0045 3509 VAL 34 C 0.0020 -0.0040 -0.0050 3510 VAL 34 O 0.0026 -0.0046 -0.0051 3511 VAL 34 CB 0.0022 -0.0033 -0.0045 3512 VAL 34 CG1 0.0027 -0.0041 -0.0047 3513 VAL 34 CG2 0.0026 -0.0026 -0.0038 3514 TYR 35 N 0.0011 -0.0039 -0.0055 3515 TYR 35 CA 0.0008 -0.0047 -0.0062 3516 TYR 35 C 0.0002 -0.0042 -0.0063 3517 TYR 35 O -0.0006 -0.0041 -0.0067 3518 TYR 35 CB 0.0002 -0.0050 -0.0067 3519 TYR 35 CG 0.0007 -0.0052 -0.0066 3520 TYR 35 CD1 0.0014 -0.0059 -0.0067 3521 TYR 35 CD2 0.0005 -0.0048 -0.0065 3522 TYR 35 CE1 0.0019 -0.0063 -0.0066 3523 TYR 35 CE2 0.0010 -0.0051 -0.0064 3524 TYR 35 CZ 0.0016 -0.0059 -0.0065 3525 TYR 35 OH 0.0021 -0.0060 -0.0063 3526 PRO 36 N 0.0007 -0.0041 -0.0059 3527 PRO 36 CA 0.0001 -0.0036 -0.0059 3528 PRO 36 C -0.0006 -0.0040 -0.0066 3529 PRO 36 O -0.0012 -0.0035 -0.0066 3530 PRO 36 CB 0.0009 -0.0034 -0.0054 3531 PRO 36 CG 0.0017 -0.0041 -0.0053 3532 PRO 36 CD 0.0015 -0.0043 -0.0056 3533 TRP 37 N 0.0019 -0.0028 -0.0086 3534 TRP 37 CA 0.0019 -0.0028 -0.0086 3535 TRP 37 C 0.0014 -0.0025 -0.0094 3536 TRP 37 O 0.0014 -0.0023 -0.0096 3537 TRP 37 CB 0.0016 -0.0037 -0.0084 3538 TRP 37 CG 0.0010 -0.0044 -0.0086 3539 TRP 37 CD1 0.0004 -0.0046 -0.0092 3540 TRP 37 CD2 0.0010 -0.0049 -0.0083 3541 TRP 37 NE1 0.0001 -0.0052 -0.0092 3542 TRP 37 CE2 0.0004 -0.0053 -0.0088 3543 TRP 37 CE3 0.0015 -0.0048 -0.0078 3544 TRP 37 CZ2 0.0002 -0.0059 -0.0086 3545 TRP 37 CZ3 0.0013 -0.0053 -0.0076 3546 TRP 37 CH2 0.0007 -0.0058 -0.0081 3547 THR 38 N 0.0010 -0.0024 -0.0099 3548 THR 38 CA 0.0006 -0.0021 -0.0107 3549 THR 38 C 0.0010 -0.0011 -0.0109 3550 THR 38 O 0.0007 -0.0008 -0.0115 3551 THR 38 CB 0.0002 -0.0021 -0.0112 3552 THR 38 OG1 0.0005 -0.0017 -0.0111 3553 THR 38 CG2 -0.0002 -0.0030 -0.0111 3554 GLN 39 N 0.0016 -0.0008 -0.0104 3555 GLN 39 CA 0.0020 0.0001 -0.0105 3556 GLN 39 C 0.0021 0.0002 -0.0105 3557 GLN 39 O 0.0022 0.0009 -0.0107 3558 GLN 39 CB 0.0026 0.0003 -0.0098 3559 GLN 39 CG 0.0025 0.0003 -0.0099 3560 GLN 39 CD 0.0031 0.0005 -0.0093 3561 GLN 39 OE1 0.0037 0.0008 -0.0088 3562 GLN 39 NE2 0.0032 0.0003 -0.0091 3563 ARG 40 N 0.0038 -0.0007 -0.0107 3564 ARG 40 CA 0.0037 -0.0018 -0.0102 3565 ARG 40 C 0.0030 -0.0017 -0.0098 3566 ARG 40 O 0.0030 -0.0026 -0.0094 3567 ARG 40 CB 0.0031 -0.0021 -0.0097 3568 ARG 40 CG 0.0023 -0.0019 -0.0092 3569 ARG 40 CD 0.0022 -0.0025 -0.0090 3570 ARG 40 NE 0.0024 -0.0035 -0.0087 3571 ARG 40 CZ 0.0019 -0.0042 -0.0080 3572 ARG 40 NH1 0.0011 -0.0039 -0.0076 3573 ARG 40 NH2 0.0024 -0.0053 -0.0079 3574 PHE 41 N 0.0023 -0.0009 -0.0097 3575 PHE 41 CA 0.0015 -0.0008 -0.0092 3576 PHE 41 C 0.0020 -0.0004 -0.0096 3577 PHE 41 O 0.0012 -0.0004 -0.0091 3578 PHE 41 CB 0.0005 -0.0001 -0.0087 3579 PHE 41 CG 0.0002 -0.0005 -0.0083 3580 PHE 41 CD1 0.0004 0.0001 -0.0087 3581 PHE 41 CD2 -0.0002 -0.0014 -0.0078 3582 PHE 41 CE1 -0.0001 -0.0004 -0.0082 3583 PHE 41 CE2 -0.0005 -0.0019 -0.0074 3584 PHE 41 CZ -0.0004 -0.0012 -0.0077 3585 PHE 42 N 0.0027 -0.0002 -0.0102 3586 PHE 42 CA 0.0028 0.0005 -0.0106 3587 PHE 42 C 0.0037 -0.0000 -0.0110 3588 PHE 42 O 0.0044 0.0005 -0.0117 3589 PHE 42 CB 0.0028 0.0016 -0.0110 3590 PHE 42 CG 0.0017 0.0021 -0.0105 3591 PHE 42 CD1 0.0017 0.0024 -0.0106 3592 PHE 42 CD2 0.0010 0.0025 -0.0101 3593 PHE 42 CE1 0.0007 0.0029 -0.0101 3594 PHE 42 CE2 0.0001 0.0029 -0.0097 3595 PHE 42 CZ -0.0000 0.0031 -0.0097 3596 GLU 43 N -0.0021 0.0005 -0.0117 3597 GLU 43 CA -0.0029 0.0003 -0.0120 3598 GLU 43 C -0.0042 -0.0001 -0.0111 3599 GLU 43 O -0.0046 -0.0002 -0.0111 3600 GLU 43 CB -0.0035 0.0002 -0.0127 3601 GLU 43 CG -0.0038 0.0002 -0.0132 3602 GLU 43 CD -0.0030 0.0005 -0.0142 3603 GLU 43 OE1 -0.0031 0.0004 -0.0142 3604 GLU 43 OE2 -0.0027 0.0006 -0.0155 3605 SER 44 N -0.0041 -0.0001 -0.0106 3606 SER 44 CA -0.0049 -0.0004 -0.0098 3607 SER 44 C -0.0046 -0.0004 -0.0089 3608 SER 44 O -0.0051 -0.0006 -0.0080 3609 SER 44 CB -0.0050 -0.0005 -0.0095 3610 SER 44 OG -0.0043 -0.0003 -0.0090 3611 PHE 45 N -0.0037 -0.0002 -0.0086 3612 PHE 45 CA -0.0033 -0.0002 -0.0075 3613 PHE 45 C -0.0038 -0.0003 -0.0074 3614 PHE 45 O -0.0034 -0.0003 -0.0064 3615 PHE 45 CB -0.0021 0.0002 -0.0076 3616 PHE 45 CG -0.0017 0.0002 -0.0072 3617 PHE 45 CD1 -0.0006 0.0005 -0.0068 3618 PHE 45 CD2 -0.0020 0.0001 -0.0072 3619 PHE 45 CE1 -0.0002 0.0006 -0.0064 3620 PHE 45 CE2 -0.0016 0.0002 -0.0070 3621 PHE 45 CZ -0.0007 0.0004 -0.0065 3622 GLY 46 N -0.0068 -0.0008 -0.0085 3623 GLY 46 CA -0.0082 -0.0015 -0.0077 3624 GLY 46 C -0.0087 -0.0011 -0.0084 3625 GLY 46 O -0.0079 0.0002 -0.0102 3626 ASP 47 N -0.0085 -0.0022 -0.0068 3627 ASP 47 CA -0.0101 -0.0010 -0.0089 3628 ASP 47 C -0.0062 -0.0011 -0.0079 3629 ASP 47 O -0.0056 -0.0023 -0.0060 3630 ASP 47 CB -0.0106 -0.0028 -0.0063 3631 ASP 47 CG -0.0110 -0.0024 -0.0069 3632 ASP 47 OD1 -0.0114 -0.0036 -0.0052 3633 ASP 47 OD2 -0.0112 -0.0013 -0.0087 3634 LEU 48 N -0.0063 0.0000 -0.0096 3635 LEU 48 CA -0.0035 0.0005 -0.0099 3636 LEU 48 C -0.0037 0.0009 -0.0105 3637 LEU 48 O -0.0024 0.0020 -0.0118 3638 LEU 48 CB -0.0028 0.0016 -0.0114 3639 LEU 48 CG -0.0020 0.0009 -0.0101 3640 LEU 48 CD1 -0.0006 0.0023 -0.0119 3641 LEU 48 CD2 -0.0007 -0.0002 -0.0082 3642 SER 49 N -0.0086 0.0006 -0.0108 3643 SER 49 CA -0.0077 0.0003 -0.0128 3644 SER 49 C -0.0049 0.0004 -0.0108 3645 SER 49 O -0.0025 -0.0000 -0.0126 3646 SER 49 CB -0.0099 0.0005 -0.0123 3647 SER 49 OG -0.0104 0.0009 -0.0094 3648 THR 50 N -0.0048 0.0007 -0.0082 3649 THR 50 CA -0.0011 0.0005 -0.0080 3650 THR 50 C 0.0001 0.0007 -0.0054 3651 THR 50 O -0.0015 0.0009 -0.0048 3652 THR 50 CB -0.0023 0.0010 -0.0044 3653 THR 50 OG1 -0.0037 0.0014 -0.0016 3654 THR 50 CG2 -0.0036 0.0009 -0.0057 3655 PRO 51 N 0.0027 0.0006 -0.0045 3656 PRO 51 CA 0.0041 0.0007 -0.0029 3657 PRO 51 C 0.0029 0.0011 -0.0004 3658 PRO 51 O 0.0025 0.0013 0.0006 3659 PRO 51 CB 0.0073 0.0006 -0.0022 3660 PRO 51 CG 0.0076 0.0003 -0.0047 3661 PRO 51 CD 0.0045 0.0004 -0.0056 3662 ASP 52 N 0.0018 0.0015 -0.0011 3663 ASP 52 CA 0.0009 0.0017 0.0011 3664 ASP 52 C -0.0009 0.0018 0.0002 3665 ASP 52 O -0.0011 0.0019 0.0014 3666 ASP 52 CB 0.0006 0.0017 0.0018 3667 ASP 52 CG 0.0023 0.0017 0.0027 3668 ASP 52 OD1 0.0035 0.0016 0.0027 3669 ASP 52 OD2 0.0026 0.0015 -0.0004 3670 ALA 53 N -0.0019 0.0018 -0.0010 3671 ALA 53 CA -0.0036 0.0019 -0.0016 3672 ALA 53 C -0.0033 0.0018 -0.0023 3673 ALA 53 O -0.0036 0.0018 -0.0019 3674 ALA 53 CB -0.0046 0.0018 -0.0031 3675 VAL 54 N -0.0018 0.0016 -0.0039 3676 VAL 54 CA -0.0011 0.0015 -0.0044 3677 VAL 54 C -0.0004 0.0015 -0.0028 3678 VAL 54 O -0.0010 0.0016 -0.0024 3679 VAL 54 CB 0.0004 0.0013 -0.0060 3680 VAL 54 CG1 0.0011 0.0012 -0.0063 3681 VAL 54 CG2 -0.0001 0.0012 -0.0075 3682 MET 55 N -0.0008 0.0023 -0.0036 3683 MET 55 CA -0.0005 0.0026 -0.0028 3684 MET 55 C -0.0010 0.0020 -0.0020 3685 MET 55 O -0.0009 0.0022 -0.0014 3686 MET 55 CB 0.0000 0.0032 -0.0030 3687 MET 55 CG 0.0004 0.0036 -0.0034 3688 MET 55 SD 0.0008 0.0041 -0.0033 3689 MET 55 CE 0.0011 0.0043 -0.0024 3690 GLY 56 N -0.0014 0.0016 -0.0027 3691 GLY 56 CA -0.0017 0.0012 -0.0019 3692 GLY 56 C -0.0022 0.0007 -0.0017 3693 GLY 56 O -0.0027 0.0001 -0.0013 3694 ASN 57 N -0.0023 0.0005 -0.0021 3695 ASN 57 CA -0.0028 -0.0000 -0.0021 3696 ASN 57 C -0.0027 0.0000 -0.0012 3697 ASN 57 O -0.0024 0.0004 -0.0007 3698 ASN 57 CB -0.0027 0.0000 -0.0027 3699 ASN 57 CG -0.0032 -0.0005 -0.0026 3700 ASN 57 OD1 -0.0034 -0.0007 -0.0020 3701 ASN 57 ND2 -0.0034 -0.0007 -0.0034 3702 PRO 58 N -0.0030 -0.0021 -0.0015 3703 PRO 58 CA -0.0024 -0.0024 0.0002 3704 PRO 58 C -0.0019 -0.0018 0.0001 3705 PRO 58 O -0.0008 -0.0016 0.0015 3706 PRO 58 CB -0.0035 -0.0040 0.0010 3707 PRO 58 CG -0.0044 -0.0036 -0.0013 3708 PRO 58 CD -0.0045 -0.0036 -0.0015 3709 LYS 59 N -0.0023 -0.0017 -0.0010 3710 LYS 59 CA -0.0019 -0.0012 -0.0010 3711 LYS 59 C -0.0004 0.0004 -0.0013 3712 LYS 59 O 0.0004 0.0007 -0.0005 3713 LYS 59 CB -0.0027 -0.0015 -0.0021 3714 LYS 59 CG -0.0038 -0.0028 -0.0017 3715 LYS 59 CD -0.0046 -0.0031 -0.0026 3716 LYS 59 CE -0.0055 -0.0040 -0.0025 3717 LYS 59 NZ -0.0068 -0.0053 -0.0026 3718 VAL 60 N -0.0005 0.0008 -0.0022 3719 VAL 60 CA 0.0010 0.0024 -0.0024 3720 VAL 60 C 0.0019 0.0025 -0.0009 3721 VAL 60 O 0.0031 0.0033 -0.0004 3722 VAL 60 CB 0.0007 0.0029 -0.0039 3723 VAL 60 CG1 0.0022 0.0043 -0.0037 3724 VAL 60 CG2 -0.0002 0.0028 -0.0054 3725 LYS 61 N 0.0019 0.0020 -0.0003 3726 LYS 61 CA 0.0026 0.0017 0.0007 3727 LYS 61 C 0.0038 0.0013 0.0025 3728 LYS 61 O 0.0046 0.0023 0.0036 3729 LYS 61 CB 0.0021 0.0001 0.0001 3730 LYS 61 CG 0.0009 0.0006 -0.0017 3731 LYS 61 CD 0.0005 -0.0010 -0.0021 3732 LYS 61 CE -0.0006 -0.0008 -0.0037 3733 LYS 61 NZ -0.0009 -0.0024 -0.0040 3734 ALA 62 N 0.0040 0.0000 0.0029 3735 ALA 62 CA 0.0052 -0.0005 0.0046 3736 ALA 62 C 0.0059 0.0013 0.0056 3737 ALA 62 O 0.0068 0.0017 0.0069 3738 ALA 62 CB 0.0050 -0.0021 0.0046 3739 HIS 63 N 0.0053 0.0023 0.0046 3740 HIS 63 CA 0.0059 0.0040 0.0054 3741 HIS 63 C 0.0061 0.0058 0.0055 3742 HIS 63 O 0.0070 0.0068 0.0068 3743 HIS 63 CB 0.0055 0.0046 0.0047 3744 HIS 63 CG 0.0059 0.0061 0.0053 3745 HIS 63 ND1 0.0069 0.0056 0.0067 3746 HIS 63 CD2 0.0057 0.0082 0.0048 3747 HIS 63 CE1 0.0072 0.0078 0.0071 3748 HIS 63 NE2 0.0063 0.0085 0.0057 3749 GLY 64 N 0.0051 0.0070 0.0050 3750 GLY 64 CA 0.0040 0.0085 0.0049 3751 GLY 64 C 0.0051 0.0081 0.0058 3752 GLY 64 O 0.0055 0.0096 0.0071 3753 LYS 65 N 0.0065 0.0051 0.0054 3754 LYS 65 CA 0.0081 0.0044 0.0065 3755 LYS 65 C 0.0101 0.0052 0.0090 3756 LYS 65 O 0.0106 0.0060 0.0100 3757 LYS 65 CB 0.0088 0.0011 0.0053 3758 LYS 65 CG 0.0103 0.0007 0.0065 3759 LYS 65 CD 0.0114 -0.0037 0.0049 3760 LYS 65 CE 0.0141 -0.0039 0.0075 3761 LYS 65 NZ 0.0143 -0.0070 0.0058 3762 LYS 66 N 0.0111 0.0052 0.0100 3763 LYS 66 CA 0.0131 0.0059 0.0124 3764 LYS 66 C 0.0121 0.0089 0.0132 3765 LYS 66 O 0.0134 0.0099 0.0152 3766 LYS 66 CB 0.0138 0.0054 0.0128 3767 LYS 66 CG 0.0151 0.0056 0.0142 3768 LYS 66 CD 0.0170 0.0025 0.0143 3769 LYS 66 CE 0.0201 0.0034 0.0179 3770 LYS 66 NZ 0.0215 0.0035 0.0194 3771 VAL 67 N 0.0076 0.0076 0.0102 3772 VAL 67 CA 0.0065 0.0083 0.0113 3773 VAL 67 C 0.0053 0.0083 0.0106 3774 VAL 67 O 0.0049 0.0087 0.0112 3775 VAL 67 CB 0.0058 0.0088 0.0119 3776 VAL 67 CG1 0.0041 0.0094 0.0123 3777 VAL 67 CG2 0.0070 0.0088 0.0127 3778 LEU 68 N 0.0047 0.0078 0.0092 3779 LEU 68 CA 0.0035 0.0078 0.0086 3780 LEU 68 C 0.0041 0.0074 0.0080 3781 LEU 68 O 0.0035 0.0076 0.0080 3782 LEU 68 CB 0.0024 0.0074 0.0071 3783 LEU 68 CG 0.0008 0.0078 0.0070 3784 LEU 68 CD1 -0.0001 0.0084 0.0080 3785 LEU 68 CD2 0.0000 0.0074 0.0058 3786 GLY 69 N 0.0057 0.0069 0.0077 3787 GLY 69 CA 0.0066 0.0067 0.0076 3788 GLY 69 C 0.0068 0.0072 0.0089 3789 GLY 69 O 0.0064 0.0073 0.0088 3790 ALA 70 N 0.0035 0.0064 0.0080 3791 ALA 70 CA 0.0033 0.0062 0.0080 3792 ALA 70 C 0.0029 0.0057 0.0081 3793 ALA 70 O 0.0027 0.0054 0.0078 3794 ALA 70 CB 0.0036 0.0064 0.0084 3795 PHE 71 N 0.0029 0.0055 0.0085 3796 PHE 71 CA 0.0024 0.0050 0.0086 3797 PHE 71 C 0.0022 0.0048 0.0080 3798 PHE 71 O 0.0019 0.0045 0.0079 3799 PHE 71 CB 0.0024 0.0049 0.0092 3800 PHE 71 CG 0.0020 0.0044 0.0093 3801 PHE 71 CD1 0.0020 0.0042 0.0098 3802 PHE 71 CD2 0.0019 0.0042 0.0089 3803 PHE 71 CE1 0.0016 0.0037 0.0098 3804 PHE 71 CE2 0.0015 0.0037 0.0091 3805 PHE 71 CZ 0.0014 0.0035 0.0096 3806 SER 72 N 0.0024 0.0050 0.0077 3807 SER 72 CA 0.0023 0.0050 0.0072 3808 SER 72 C 0.0021 0.0048 0.0068 3809 SER 72 O 0.0018 0.0044 0.0064 3810 SER 72 CB 0.0023 0.0051 0.0068 3811 SER 72 OG 0.0024 0.0052 0.0073 3812 ASP 73 N 0.0028 0.0048 0.0073 3813 ASP 73 CA 0.0031 0.0049 0.0064 3814 ASP 73 C 0.0033 0.0046 0.0060 3815 ASP 73 O 0.0036 0.0041 0.0054 3816 ASP 73 CB 0.0032 0.0060 0.0059 3817 ASP 73 CG 0.0032 0.0059 0.0061 3818 ASP 73 OD1 0.0029 0.0061 0.0066 3819 ASP 73 OD2 0.0029 0.0074 0.0063 3820 GLY 74 N 0.0031 0.0044 0.0065 3821 GLY 74 CA 0.0033 0.0039 0.0062 3822 GLY 74 C 0.0033 0.0029 0.0063 3823 GLY 74 O 0.0036 0.0023 0.0058 3824 LEU 75 N 0.0032 0.0025 0.0069 3825 LEU 75 CA 0.0033 0.0016 0.0068 3826 LEU 75 C 0.0036 0.0012 0.0059 3827 LEU 75 O 0.0037 0.0004 0.0059 3828 LEU 75 CB 0.0030 0.0013 0.0077 3829 LEU 75 CG 0.0027 0.0011 0.0085 3830 LEU 75 CD1 0.0027 0.0011 0.0084 3831 LEU 75 CD2 0.0024 0.0013 0.0093 3832 ALA 76 N 0.0046 0.0015 0.0082 3833 ALA 76 CA 0.0040 0.0018 0.0066 3834 ALA 76 C 0.0040 0.0013 0.0056 3835 ALA 76 O 0.0041 0.0007 0.0044 3836 ALA 76 CB 0.0033 0.0031 0.0074 3837 HIS 77 N 0.0044 0.0005 0.0050 3838 HIS 77 CA 0.0043 0.0000 0.0035 3839 HIS 77 C 0.0049 -0.0010 0.0032 3840 HIS 77 O 0.0048 -0.0013 0.0023 3841 HIS 77 CB 0.0032 0.0010 0.0023 3842 HIS 77 CG 0.0024 0.0022 0.0022 3843 HIS 77 ND1 0.0021 0.0033 0.0035 3844 HIS 77 CD2 0.0020 0.0023 0.0008 3845 HIS 77 CE1 0.0011 0.0045 0.0031 3846 HIS 77 NE2 0.0014 0.0038 0.0022 3847 LEU 78 N 0.0059 -0.0021 0.0041 3848 LEU 78 CA 0.0067 -0.0033 0.0040 3849 LEU 78 C 0.0070 -0.0042 0.0030 3850 LEU 78 O 0.0074 -0.0049 0.0027 3851 LEU 78 CB 0.0076 -0.0040 0.0058 3852 LEU 78 CG 0.0079 -0.0037 0.0074 3853 LEU 78 CD1 0.0085 -0.0042 0.0086 3854 LEU 78 CD2 0.0078 -0.0034 0.0078 3855 ASP 79 N 0.0101 -0.0045 0.0027 3856 ASP 79 CA 0.0112 -0.0056 0.0003 3857 ASP 79 C 0.0092 -0.0047 -0.0025 3858 ASP 79 O 0.0095 -0.0052 -0.0046 3859 ASP 79 CB 0.0109 -0.0055 0.0000 3860 ASP 79 CG 0.0118 -0.0057 0.0021 3861 ASP 79 OD1 0.0131 -0.0067 0.0014 3862 ASP 79 OD2 0.0148 -0.0078 0.0012 3863 ASN 80 N 0.0074 -0.0033 -0.0009 3864 ASN 80 CA 0.0057 -0.0026 -0.0035 3865 ASN 80 C 0.0037 -0.0011 -0.0020 3866 ASN 80 O 0.0020 -0.0001 -0.0028 3867 ASN 80 CB 0.0045 -0.0020 -0.0044 3868 ASN 80 CG 0.0031 -0.0012 -0.0053 3869 ASN 80 OD1 0.0021 -0.0010 -0.0083 3870 ASN 80 ND2 0.0030 -0.0009 -0.0032 3871 LEU 81 N 0.0051 -0.0020 -0.0017 3872 LEU 81 CA 0.0037 -0.0010 -0.0006 3873 LEU 81 C 0.0020 -0.0001 -0.0028 3874 LEU 81 O 0.0001 0.0012 -0.0022 3875 LEU 81 CB 0.0054 -0.0019 0.0002 3876 LEU 81 CG 0.0065 -0.0022 0.0031 3877 LEU 81 CD1 0.0081 -0.0031 0.0036 3878 LEU 81 CD2 0.0053 -0.0012 0.0051 3879 LYS 82 N 0.0020 -0.0037 -0.0043 3880 LYS 82 CA 0.0007 -0.0028 -0.0058 3881 LYS 82 C -0.0010 -0.0008 -0.0068 3882 LYS 82 O -0.0022 0.0009 -0.0069 3883 LYS 82 CB 0.0013 -0.0051 -0.0081 3884 LYS 82 CG 0.0025 -0.0064 -0.0072 3885 LYS 82 CD 0.0030 -0.0088 -0.0099 3886 LYS 82 CE 0.0057 -0.0102 -0.0059 3887 LYS 82 NZ 0.0056 -0.0122 -0.0090 3888 GLY 83 N -0.0018 -0.0005 -0.0081 3889 GLY 83 CA -0.0037 0.0012 -0.0097 3890 GLY 83 C -0.0041 0.0032 -0.0077 3891 GLY 83 O -0.0056 0.0056 -0.0075 3892 THR 84 N -0.0029 0.0033 -0.0048 3893 THR 84 CA -0.0034 0.0053 -0.0030 3894 THR 84 C -0.0041 0.0068 -0.0023 3895 THR 84 O -0.0049 0.0087 -0.0010 3896 THR 84 CB -0.0020 0.0048 -0.0004 3897 THR 84 OG1 -0.0018 0.0038 -0.0015 3898 THR 84 CG2 -0.0021 0.0066 0.0021 3899 PHE 85 N -0.0035 0.0042 -0.0022 3900 PHE 85 CA -0.0026 0.0051 -0.0006 3901 PHE 85 C -0.0040 0.0046 -0.0025 3902 PHE 85 O -0.0035 0.0047 -0.0019 3903 PHE 85 CB -0.0003 0.0033 0.0008 3904 PHE 85 CG 0.0007 0.0049 0.0031 3905 PHE 85 CD1 0.0019 0.0034 0.0034 3906 PHE 85 CD2 0.0008 0.0071 0.0049 3907 PHE 85 CE1 0.0031 0.0045 0.0056 3908 PHE 85 CE2 0.0018 0.0083 0.0069 3909 PHE 85 CZ 0.0029 0.0073 0.0074 3910 ALA 86 N -0.0055 0.0036 -0.0049 3911 ALA 86 CA -0.0063 0.0025 -0.0067 3912 ALA 86 C -0.0076 0.0051 -0.0062 3913 ALA 86 O -0.0071 0.0046 -0.0061 3914 ALA 86 CB -0.0086 0.0022 -0.0095 3915 THR 87 N -0.0087 0.0074 -0.0057 3916 THR 87 CA -0.0096 0.0096 -0.0053 3917 THR 87 C -0.0080 0.0101 -0.0030 3918 THR 87 O -0.0081 0.0104 -0.0030 3919 THR 87 CB -0.0112 0.0123 -0.0051 3920 THR 87 OG1 -0.0128 0.0118 -0.0073 3921 THR 87 CG2 -0.0125 0.0143 -0.0051 3922 LEU 88 N -0.0045 0.0095 -0.0003 3923 LEU 88 CA -0.0024 0.0097 0.0010 3924 LEU 88 C -0.0009 0.0072 0.0013 3925 LEU 88 O 0.0006 0.0070 0.0020 3926 LEU 88 CB -0.0010 0.0111 0.0020 3927 LEU 88 CG -0.0017 0.0138 0.0022 3928 LEU 88 CD1 -0.0008 0.0145 0.0028 3929 LEU 88 CD2 -0.0013 0.0148 0.0027 3930 SER 89 N -0.0015 0.0052 0.0005 3931 SER 89 CA -0.0006 0.0027 0.0005 3932 SER 89 C -0.0006 0.0020 0.0003 3933 SER 89 O 0.0006 0.0010 0.0008 3934 SER 89 CB -0.0014 0.0007 -0.0004 3935 SER 89 OG -0.0002 -0.0016 -0.0002 3936 GLU 90 N -0.0029 0.0022 -0.0009 3937 GLU 90 CA -0.0035 0.0020 -0.0013 3938 GLU 90 C -0.0024 0.0036 -0.0004 3939 GLU 90 O -0.0017 0.0027 -0.0002 3940 GLU 90 CB -0.0061 0.0022 -0.0027 3941 GLU 90 CG -0.0064 0.0010 -0.0032 3942 GLU 90 CD -0.0103 0.0011 -0.0054 3943 GLU 90 OE1 -0.0101 0.0031 -0.0048 3944 GLU 90 OE2 -0.0103 0.0022 -0.0051 3945 LEU 91 N -0.0013 0.0032 0.0006 3946 LEU 91 CA -0.0001 0.0035 0.0007 3947 LEU 91 C 0.0013 0.0032 0.0012 3948 LEU 91 O 0.0024 0.0030 0.0015 3949 LEU 91 CB -0.0001 0.0050 0.0000 3950 LEU 91 CG 0.0012 0.0059 -0.0001 3951 LEU 91 CD1 0.0017 0.0057 0.0001 3952 LEU 91 CD2 0.0013 0.0072 -0.0007 3953 HIS 92 N 0.0011 0.0032 0.0011 3954 HIS 92 CA 0.0025 0.0031 0.0014 3955 HIS 92 C 0.0024 0.0015 0.0021 3956 HIS 92 O 0.0036 0.0012 0.0025 3957 HIS 92 CB 0.0020 0.0032 0.0013 3958 HIS 92 CG 0.0025 0.0046 0.0007 3959 HIS 92 ND1 0.0014 0.0055 0.0001 3960 HIS 92 CD2 0.0034 0.0054 0.0006 3961 HIS 92 CE1 0.0022 0.0066 -0.0002 3962 HIS 92 NE2 0.0034 0.0067 -0.0000 3963 CYS 93 N 0.0014 0.0007 0.0023 3964 CYS 93 CA 0.0016 -0.0007 0.0030 3965 CYS 93 C 0.0023 -0.0008 0.0032 3966 CYS 93 O 0.0032 -0.0013 0.0035 3967 CYS 93 CB 0.0003 -0.0012 0.0029 3968 CYS 93 SG 0.0005 -0.0030 0.0038 3969 ASP 94 N 0.0021 -0.0015 0.0038 3970 ASP 94 CA 0.0030 -0.0026 0.0046 3971 ASP 94 C 0.0040 -0.0030 0.0037 3972 ASP 94 O 0.0047 -0.0038 0.0040 3973 ASP 94 CB 0.0026 -0.0025 0.0054 3974 ASP 94 CG 0.0016 -0.0022 0.0067 3975 ASP 94 OD1 0.0015 -0.0020 0.0066 3976 ASP 94 OD2 0.0013 -0.0021 0.0070 3977 LYS 95 N 0.0040 -0.0027 0.0027 3978 LYS 95 CA 0.0051 -0.0033 0.0017 3979 LYS 95 C 0.0054 -0.0032 0.0008 3980 LYS 95 O 0.0061 -0.0036 0.0003 3981 LYS 95 CB 0.0052 -0.0032 0.0013 3982 LYS 95 CG 0.0048 -0.0032 0.0023 3983 LYS 95 CD 0.0060 -0.0046 0.0033 3984 LYS 95 CE 0.0062 -0.0052 0.0044 3985 LYS 95 NZ 0.0075 -0.0064 0.0047 3986 LEU 96 N 0.0045 -0.0021 0.0001 3987 LEU 96 CA 0.0047 -0.0019 -0.0011 3988 LEU 96 C 0.0046 -0.0018 -0.0009 3989 LEU 96 O 0.0050 -0.0018 -0.0018 3990 LEU 96 CB 0.0042 -0.0010 -0.0020 3991 LEU 96 CG 0.0043 -0.0010 -0.0023 3992 LEU 96 CD1 0.0035 -0.0001 -0.0032 3993 LEU 96 CD2 0.0053 -0.0017 -0.0029 3994 HIS 97 N 0.0010 -0.0028 0.0024 3995 HIS 97 CA 0.0012 -0.0030 0.0022 3996 HIS 97 C 0.0012 -0.0020 0.0013 3997 HIS 97 O 0.0017 -0.0021 0.0006 3998 HIS 97 CB 0.0019 -0.0041 0.0019 3999 HIS 97 CG 0.0019 -0.0052 0.0028 4000 HIS 97 ND1 0.0013 -0.0052 0.0039 4001 HIS 97 CD2 0.0024 -0.0059 0.0025 4002 HIS 97 CE1 0.0014 -0.0064 0.0045 4003 HIS 97 NE2 0.0020 -0.0065 0.0037 4004 VAL 98 N 0.0007 -0.0009 0.0013 4005 VAL 98 CA 0.0008 0.0000 0.0004 4006 VAL 98 C 0.0003 0.0007 0.0007 4007 VAL 98 O -0.0004 0.0011 0.0015 4008 VAL 98 CB 0.0005 0.0009 0.0002 4009 VAL 98 CG1 0.0004 0.0020 -0.0005 4010 VAL 98 CG2 0.0011 0.0002 -0.0003 4011 ASP 99 N 0.0006 0.0008 0.0001 4012 ASP 99 CA 0.0001 0.0015 0.0004 4013 ASP 99 C -0.0005 0.0027 0.0003 4014 ASP 99 O -0.0001 0.0032 -0.0006 4015 ASP 99 CB 0.0006 0.0014 -0.0005 4016 ASP 99 CG 0.0003 0.0021 -0.0005 4017 ASP 99 OD1 0.0008 0.0018 -0.0012 4018 ASP 99 OD2 -0.0004 0.0026 0.0003 4019 PRO 100 N 0.0012 0.0002 0.0005 4020 PRO 100 CA 0.0012 0.0007 0.0007 4021 PRO 100 C 0.0007 0.0012 -0.0002 4022 PRO 100 O 0.0007 0.0014 -0.0001 4023 PRO 100 CB 0.0014 0.0010 0.0017 4024 PRO 100 CG 0.0015 0.0012 0.0019 4025 PRO 100 CD 0.0014 0.0005 0.0012 4026 GLU 101 N 0.0004 0.0015 -0.0007 4027 GLU 101 CA 0.0000 0.0019 -0.0014 4028 GLU 101 C -0.0001 0.0014 -0.0020 4029 GLU 101 O -0.0003 0.0018 -0.0024 4030 GLU 101 CB -0.0002 0.0022 -0.0019 4031 GLU 101 CG -0.0007 0.0027 -0.0029 4032 GLU 101 CD -0.0009 0.0040 -0.0026 4033 GLU 101 OE1 -0.0007 0.0041 -0.0019 4034 GLU 101 OE2 -0.0013 0.0038 -0.0035 4035 ASN 102 N 0.0002 0.0005 -0.0020 4036 ASN 102 CA 0.0002 -0.0002 -0.0026 4037 ASN 102 C 0.0003 -0.0001 -0.0021 4038 ASN 102 O 0.0001 -0.0002 -0.0028 4039 ASN 102 CB 0.0005 -0.0011 -0.0024 4040 ASN 102 CG 0.0003 -0.0014 -0.0030 4041 ASN 102 OD1 0.0001 -0.0015 -0.0037 4042 ASN 102 ND2 0.0006 -0.0016 -0.0025 4043 PHE 103 N 0.0010 -0.0016 -0.0008 4044 PHE 103 CA 0.0013 -0.0017 -0.0005 4045 PHE 103 C 0.0008 -0.0012 -0.0009 4046 PHE 103 O 0.0008 -0.0014 -0.0010 4047 PHE 103 CB 0.0018 -0.0014 0.0002 4048 PHE 103 CG 0.0022 -0.0019 0.0005 4049 PHE 103 CD1 0.0023 -0.0028 0.0003 4050 PHE 103 CD2 0.0025 -0.0015 0.0011 4051 PHE 103 CE1 0.0026 -0.0033 0.0006 4052 PHE 103 CE2 0.0029 -0.0020 0.0014 4053 PHE 103 CZ 0.0030 -0.0028 0.0011 4054 ARG 104 N 0.0005 -0.0005 -0.0010 4055 ARG 104 CA 0.0001 0.0001 -0.0012 4056 ARG 104 C -0.0004 -0.0003 -0.0020 4057 ARG 104 O -0.0006 -0.0002 -0.0022 4058 ARG 104 CB -0.0001 0.0010 -0.0012 4059 ARG 104 CG 0.0004 0.0013 -0.0005 4060 ARG 104 CD 0.0002 0.0022 -0.0004 4061 ARG 104 NE 0.0009 0.0023 0.0005 4062 ARG 104 CZ 0.0008 0.0033 0.0007 4063 ARG 104 NH1 0.0002 0.0033 0.0000 4064 ARG 104 NH2 0.0009 0.0037 0.0010 4065 LEU 105 N -0.0006 -0.0006 -0.0023 4066 LEU 105 CA -0.0010 -0.0009 -0.0030 4067 LEU 105 C -0.0009 -0.0017 -0.0031 4068 LEU 105 O -0.0012 -0.0017 -0.0035 4069 LEU 105 CB -0.0012 -0.0012 -0.0033 4070 LEU 105 CG -0.0015 -0.0006 -0.0034 4071 LEU 105 CD1 -0.0016 -0.0008 -0.0037 4072 LEU 105 CD2 -0.0019 0.0001 -0.0037 4073 LEU 106 N -0.0003 -0.0007 -0.0022 4074 LEU 106 CA -0.0002 -0.0002 -0.0029 4075 LEU 106 C -0.0007 -0.0010 -0.0035 4076 LEU 106 O -0.0007 -0.0010 -0.0037 4077 LEU 106 CB -0.0001 0.0008 -0.0038 4078 LEU 106 CG -0.0001 0.0015 -0.0045 4079 LEU 106 CD1 0.0004 0.0021 -0.0037 4080 LEU 106 CD2 -0.0000 0.0022 -0.0054 4081 GLY 107 N -0.0011 -0.0018 -0.0041 4082 GLY 107 CA -0.0016 -0.0028 -0.0048 4083 GLY 107 C -0.0016 -0.0035 -0.0039 4084 GLY 107 O -0.0018 -0.0037 -0.0042 4085 ASN 108 N -0.0015 -0.0038 -0.0028 4086 ASN 108 CA -0.0015 -0.0044 -0.0020 4087 ASN 108 C -0.0011 -0.0038 -0.0015 4088 ASN 108 O -0.0013 -0.0042 -0.0014 4089 ASN 108 CB -0.0014 -0.0050 -0.0009 4090 ASN 108 CG -0.0019 -0.0062 -0.0013 4091 ASN 108 OD1 -0.0023 -0.0067 -0.0022 4092 ASN 108 ND2 -0.0017 -0.0064 -0.0004 4093 VAL 109 N -0.0017 -0.0023 -0.0015 4094 VAL 109 CA -0.0014 -0.0017 -0.0014 4095 VAL 109 C -0.0017 -0.0012 -0.0017 4096 VAL 109 O -0.0015 -0.0008 -0.0017 4097 VAL 109 CB -0.0011 -0.0016 -0.0014 4098 VAL 109 CG1 -0.0008 -0.0010 -0.0014 4099 VAL 109 CG2 -0.0007 -0.0021 -0.0011 4100 LEU 110 N -0.0023 -0.0012 -0.0019 4101 LEU 110 CA -0.0026 -0.0007 -0.0021 4102 LEU 110 C -0.0026 -0.0006 -0.0021 4103 LEU 110 O -0.0027 -0.0001 -0.0022 4104 LEU 110 CB -0.0032 -0.0007 -0.0023 4105 LEU 110 CG -0.0036 -0.0003 -0.0025 4106 LEU 110 CD1 -0.0034 0.0003 -0.0026 4107 LEU 110 CD2 -0.0042 -0.0004 -0.0027 4108 VAL 111 N -0.0027 -0.0012 -0.0020 4109 VAL 111 CA -0.0028 -0.0012 -0.0020 4110 VAL 111 C -0.0022 -0.0009 -0.0019 4111 VAL 111 O -0.0022 -0.0005 -0.0020 4112 VAL 111 CB -0.0030 -0.0018 -0.0020 4113 VAL 111 CG1 -0.0029 -0.0018 -0.0019 4114 VAL 111 CG2 -0.0036 -0.0019 -0.0022 4115 CYS 112 N -0.0031 -0.0008 -0.0007 4116 CYS 112 CA -0.0020 -0.0003 -0.0002 4117 CYS 112 C -0.0020 0.0013 0.0002 4118 CYS 112 O -0.0014 0.0019 0.0005 4119 CYS 112 CB -0.0012 -0.0007 0.0000 4120 CYS 112 SG -0.0005 -0.0023 -0.0001 4121 VAL 113 N -0.0029 0.0017 -0.0001 4122 VAL 113 CA -0.0032 0.0030 0.0001 4123 VAL 113 C -0.0037 0.0038 0.0001 4124 VAL 113 O -0.0033 0.0047 0.0004 4125 VAL 113 CB -0.0040 0.0033 -0.0002 4126 VAL 113 CG1 -0.0044 0.0046 -0.0000 4127 VAL 113 CG2 -0.0032 0.0029 0.0000 4128 LEU 114 N -0.0045 0.0033 -0.0003 4129 LEU 114 CA -0.0050 0.0038 -0.0004 4130 LEU 114 C -0.0040 0.0039 -0.0000 4131 LEU 114 O -0.0038 0.0048 0.0002 4132 LEU 114 CB -0.0060 0.0031 -0.0009 4133 LEU 114 CG -0.0071 0.0030 -0.0013 4134 LEU 114 CD1 -0.0081 0.0022 -0.0018 4135 LEU 114 CD2 -0.0077 0.0045 -0.0012 4136 ALA 115 N -0.0041 0.0048 -0.0019 4137 ALA 115 CA -0.0035 0.0035 -0.0005 4138 ALA 115 C -0.0032 0.0046 0.0011 4139 ALA 115 O -0.0030 0.0040 0.0016 4140 ALA 115 CB -0.0031 0.0022 0.0001 4141 HIS 116 N -0.0032 0.0059 0.0018 4142 HIS 116 CA -0.0030 0.0071 0.0032 4143 HIS 116 C -0.0033 0.0079 0.0028 4144 HIS 116 O -0.0030 0.0081 0.0039 4145 HIS 116 CB -0.0031 0.0084 0.0036 4146 HIS 116 CG -0.0028 0.0095 0.0053 4147 HIS 116 ND1 -0.0031 0.0112 0.0052 4148 HIS 116 CD2 -0.0023 0.0088 0.0067 4149 HIS 116 CE1 -0.0027 0.0119 0.0069 4150 HIS 116 NE2 -0.0022 0.0103 0.0079 4151 HIS 117 N -0.0038 0.0087 0.0013 4152 HIS 117 CA -0.0041 0.0097 0.0007 4153 HIS 117 C -0.0040 0.0084 0.0005 4154 HIS 117 O -0.0040 0.0088 0.0008 4155 HIS 117 CB -0.0048 0.0108 -0.0008 4156 HIS 117 CG -0.0051 0.0117 -0.0013 4157 HIS 117 ND1 -0.0050 0.0137 -0.0001 4158 HIS 117 CD2 -0.0053 0.0119 -0.0022 4159 HIS 117 CE1 -0.0055 0.0142 -0.0013 4160 HIS 117 NE2 -0.0056 0.0133 -0.0021 4161 PHE 118 N -0.0035 0.0066 -0.0000 4162 PHE 118 CA -0.0038 0.0067 -0.0001 4163 PHE 118 C -0.0031 0.0063 0.0002 4164 PHE 118 O -0.0032 0.0065 0.0001 4165 PHE 118 CB -0.0047 0.0061 -0.0006 4166 PHE 118 CG -0.0055 0.0067 -0.0009 4167 PHE 118 CD1 -0.0061 0.0064 -0.0012 4168 PHE 118 CD2 -0.0059 0.0076 -0.0009 4169 PHE 118 CE1 -0.0068 0.0068 -0.0015 4170 PHE 118 CE2 -0.0067 0.0082 -0.0012 4171 PHE 118 CZ -0.0069 0.0079 -0.0014 4172 GLY 119 N -0.0023 0.0058 0.0004 4173 GLY 119 CA -0.0015 0.0056 0.0008 4174 GLY 119 C -0.0019 0.0048 0.0004 4175 GLY 119 O -0.0025 0.0042 0.0001 4176 LYS 120 N -0.0016 0.0052 0.0006 4177 LYS 120 CA -0.0017 0.0045 0.0005 4178 LYS 120 C -0.0026 0.0046 0.0001 4179 LYS 120 O -0.0030 0.0038 -0.0002 4180 LYS 120 CB -0.0010 0.0049 0.0009 4181 LYS 120 CG -0.0016 0.0056 0.0007 4182 LYS 120 CD -0.0015 0.0062 0.0009 4183 LYS 120 CE -0.0019 0.0073 0.0009 4184 LYS 120 NZ -0.0021 0.0079 0.0009 4185 GLU 121 N -0.0025 0.0034 -0.0021 4186 GLU 121 CA -0.0039 0.0034 -0.0028 4187 GLU 121 C -0.0049 0.0018 -0.0036 4188 GLU 121 O -0.0061 0.0013 -0.0044 4189 GLU 121 CB -0.0052 0.0053 -0.0031 4190 GLU 121 CG -0.0064 0.0053 -0.0037 4191 GLU 121 CD -0.0076 0.0077 -0.0038 4192 GLU 121 OE1 -0.0091 0.0070 -0.0047 4193 GLU 121 OE2 -0.0069 0.0082 -0.0033 4194 PHE 122 N -0.0040 0.0013 -0.0033 4195 PHE 122 CA -0.0046 -0.0002 -0.0039 4196 PHE 122 C -0.0038 -0.0019 -0.0039 4197 PHE 122 O -0.0027 -0.0029 -0.0035 4198 PHE 122 CB -0.0039 -0.0000 -0.0035 4199 PHE 122 CG -0.0049 -0.0011 -0.0042 4200 PHE 122 CD1 -0.0063 -0.0009 -0.0049 4201 PHE 122 CD2 -0.0042 -0.0028 -0.0042 4202 PHE 122 CE1 -0.0073 -0.0020 -0.0056 4203 PHE 122 CE2 -0.0049 -0.0040 -0.0048 4204 PHE 122 CZ -0.0064 -0.0034 -0.0055 4205 THR 123 N -0.0045 -0.0022 -0.0042 4206 THR 123 CA -0.0037 -0.0037 -0.0041 4207 THR 123 C -0.0041 -0.0053 -0.0047 4208 THR 123 O -0.0051 -0.0055 -0.0052 4209 THR 123 CB -0.0045 -0.0037 -0.0045 4210 THR 123 OG1 -0.0061 -0.0036 -0.0054 4211 THR 123 CG2 -0.0042 -0.0016 -0.0040 4212 PRO 124 N -0.0022 -0.0046 -0.0086 4213 PRO 124 CA -0.0025 -0.0056 -0.0084 4214 PRO 124 C -0.0035 -0.0058 -0.0082 4215 PRO 124 O -0.0037 -0.0066 -0.0080 4216 PRO 124 CB -0.0021 -0.0056 -0.0085 4217 PRO 124 CG -0.0013 -0.0049 -0.0088 4218 PRO 124 CD -0.0017 -0.0041 -0.0088 4219 PRO 125 N -0.0042 -0.0052 -0.0080 4220 PRO 125 CA -0.0051 -0.0054 -0.0078 4221 PRO 125 C -0.0055 -0.0056 -0.0077 4222 PRO 125 O -0.0060 -0.0062 -0.0074 4223 PRO 125 CB -0.0056 -0.0046 -0.0077 4224 PRO 125 CG -0.0050 -0.0042 -0.0079 4225 PRO 125 CD -0.0042 -0.0043 -0.0082 4226 VAL 126 N -0.0050 -0.0050 -0.0079 4227 VAL 126 CA -0.0052 -0.0051 -0.0078 4228 VAL 126 C -0.0048 -0.0062 -0.0077 4229 VAL 126 O -0.0053 -0.0066 -0.0076 4230 VAL 126 CB -0.0047 -0.0041 -0.0080 4231 VAL 126 CG1 -0.0050 -0.0043 -0.0079 4232 VAL 126 CG2 -0.0053 -0.0034 -0.0080 4233 GLN 127 N -0.0030 -0.0061 -0.0063 4234 GLN 127 CA -0.0026 -0.0063 -0.0057 4235 GLN 127 C -0.0028 -0.0065 -0.0050 4236 GLN 127 O -0.0024 -0.0067 -0.0046 4237 GLN 127 CB -0.0026 -0.0063 -0.0059 4238 GLN 127 CG -0.0022 -0.0066 -0.0052 4239 GLN 127 CD -0.0023 -0.0066 -0.0052 4240 GLN 127 OE1 -0.0025 -0.0064 -0.0057 4241 GLN 127 NE2 -0.0019 -0.0068 -0.0047 4242 ALA 128 N -0.0035 -0.0063 -0.0048 4243 ALA 128 CA -0.0038 -0.0064 -0.0041 4244 ALA 128 C -0.0036 -0.0065 -0.0038 4245 ALA 128 O -0.0034 -0.0067 -0.0032 4246 ALA 128 CB -0.0046 -0.0062 -0.0040 4247 ALA 129 N -0.0036 -0.0064 -0.0044 4248 ALA 129 CA -0.0034 -0.0065 -0.0043 4249 ALA 129 C -0.0026 -0.0067 -0.0041 4250 ALA 129 O -0.0024 -0.0069 -0.0036 4251 ALA 129 CB -0.0036 -0.0063 -0.0049 4252 TYR 130 N -0.0019 -0.0044 -0.0018 4253 TYR 130 CA -0.0021 -0.0046 -0.0018 4254 TYR 130 C -0.0021 -0.0049 -0.0021 4255 TYR 130 O -0.0023 -0.0051 -0.0021 4256 TYR 130 CB -0.0020 -0.0046 -0.0019 4257 TYR 130 CG -0.0022 -0.0045 -0.0016 4258 TYR 130 CD1 -0.0024 -0.0046 -0.0015 4259 TYR 130 CD2 -0.0021 -0.0042 -0.0014 4260 TYR 130 CE1 -0.0026 -0.0046 -0.0013 4261 TYR 130 CE2 -0.0023 -0.0041 -0.0012 4262 TYR 130 CZ -0.0025 -0.0043 -0.0011 4263 TYR 130 OH -0.0027 -0.0042 -0.0009 4264 GLN 131 N -0.0019 -0.0048 -0.0023 4265 GLN 131 CA -0.0018 -0.0050 -0.0025 4266 GLN 131 C -0.0020 -0.0052 -0.0025 4267 GLN 131 O -0.0022 -0.0054 -0.0026 4268 GLN 131 CB -0.0016 -0.0050 -0.0027 4269 GLN 131 CG -0.0014 -0.0049 -0.0028 4270 GLN 131 CD -0.0014 -0.0051 -0.0030 4271 GLN 131 OE1 -0.0012 -0.0050 -0.0030 4272 GLN 131 NE2 -0.0015 -0.0053 -0.0031 4273 LYS 132 N -0.0021 -0.0050 -0.0023 4274 LYS 132 CA -0.0022 -0.0051 -0.0023 4275 LYS 132 C -0.0025 -0.0053 -0.0021 4276 LYS 132 O -0.0027 -0.0055 -0.0022 4277 LYS 132 CB -0.0022 -0.0049 -0.0021 4278 LYS 132 CG -0.0020 -0.0048 -0.0022 4279 LYS 132 CD -0.0019 -0.0046 -0.0020 4280 LYS 132 CE -0.0016 -0.0044 -0.0021 4281 LYS 132 NZ -0.0018 -0.0043 -0.0018 4282 VAL 133 N 0.0031 -0.0034 0.0010 4283 VAL 133 CA 0.0037 -0.0036 0.0010 4284 VAL 133 C 0.0037 -0.0034 0.0011 4285 VAL 133 O 0.0041 -0.0033 0.0013 4286 VAL 133 CB 0.0037 -0.0041 0.0006 4287 VAL 133 CG1 0.0042 -0.0043 0.0006 4288 VAL 133 CG2 0.0037 -0.0042 0.0006 4289 VAL 134 N 0.0034 -0.0035 0.0010 4290 VAL 134 CA 0.0034 -0.0034 0.0011 4291 VAL 134 C 0.0035 -0.0029 0.0015 4292 VAL 134 O 0.0038 -0.0028 0.0017 4293 VAL 134 CB 0.0030 -0.0036 0.0008 4294 VAL 134 CG1 0.0030 -0.0040 0.0005 4295 VAL 134 CG2 0.0025 -0.0033 0.0009 4296 ALA 135 N 0.0032 -0.0026 0.0016 4297 ALA 135 CA 0.0032 -0.0022 0.0020 4298 ALA 135 C 0.0038 -0.0021 0.0022 4299 ALA 135 O 0.0040 -0.0019 0.0025 4300 ALA 135 CB 0.0028 -0.0019 0.0021 4301 GLY 136 N 0.0075 -0.0034 0.0039 4302 GLY 136 CA 0.0073 -0.0033 0.0034 4303 GLY 136 C 0.0068 -0.0026 0.0033 4304 GLY 136 O 0.0066 -0.0024 0.0028 4305 VAL 137 N 0.0067 -0.0023 0.0039 4306 VAL 137 CA 0.0063 -0.0017 0.0039 4307 VAL 137 C 0.0060 -0.0014 0.0039 4308 VAL 137 O 0.0058 -0.0011 0.0035 4309 VAL 137 CB 0.0061 -0.0013 0.0046 4310 VAL 137 CG1 0.0057 -0.0007 0.0048 4311 VAL 137 CG2 0.0063 -0.0016 0.0046 4312 ALA 138 N 0.0063 -0.0017 0.0042 4313 ALA 138 CA 0.0061 -0.0015 0.0041 4314 ALA 138 C 0.0061 -0.0016 0.0034 4315 ALA 138 O 0.0058 -0.0013 0.0031 4316 ALA 138 CB 0.0065 -0.0018 0.0046 4317 ASN 139 N 0.0068 -0.0035 0.0030 4318 ASN 139 CA 0.0066 -0.0043 0.0019 4319 ASN 139 C 0.0054 -0.0037 0.0011 4320 ASN 139 O 0.0047 -0.0037 0.0002 4321 ASN 139 CB 0.0068 -0.0050 0.0016 4322 ASN 139 CG 0.0074 -0.0061 0.0013 4323 ASN 139 OD1 0.0065 -0.0063 -0.0001 4324 ASN 139 ND2 0.0082 -0.0062 0.0021 4325 ALA 140 N 0.0050 -0.0029 0.0014 4326 ALA 140 CA 0.0039 -0.0021 0.0008 4327 ALA 140 C 0.0035 -0.0013 0.0010 4328 ALA 140 O 0.0027 -0.0012 0.0001 4329 ALA 140 CB 0.0038 -0.0014 0.0012 4330 LEU 141 N 0.0038 -0.0008 0.0018 4331 LEU 141 CA 0.0034 -0.0001 0.0020 4332 LEU 141 C 0.0033 -0.0007 0.0014 4333 LEU 141 O 0.0028 -0.0003 0.0012 4334 LEU 141 CB 0.0039 0.0006 0.0033 4335 LEU 141 CG 0.0036 0.0016 0.0038 4336 LEU 141 CD1 0.0039 0.0021 0.0049 4337 LEU 141 CD2 0.0024 0.0025 0.0032 4338 ALA 142 N 0.0043 -0.0024 0.0023 4339 ALA 142 CA 0.0044 -0.0037 0.0022 4340 ALA 142 C 0.0032 -0.0048 0.0003 4341 ALA 142 O 0.0033 -0.0056 0.0003 4342 ALA 142 CB 0.0057 -0.0057 0.0036 4343 HIS 143 N 0.0020 -0.0048 -0.0013 4344 HIS 143 CA 0.0007 -0.0059 -0.0033 4345 HIS 143 C -0.0001 -0.0052 -0.0042 4346 HIS 143 O -0.0005 -0.0070 -0.0051 4347 HIS 143 CB -0.0001 -0.0060 -0.0045 4348 HIS 143 CG -0.0013 -0.0071 -0.0063 4349 HIS 143 ND1 -0.0026 -0.0062 -0.0079 4350 HIS 143 CD2 -0.0008 -0.0105 -0.0063 4351 HIS 143 CE1 -0.0031 -0.0087 -0.0091 4352 HIS 143 NE2 -0.0022 -0.0107 -0.0083 4353 LYS 144 N -0.0002 -0.0031 -0.0040 4354 LYS 144 CA -0.0010 -0.0016 -0.0048 4355 LYS 144 C -0.0003 -0.0022 -0.0039 4356 LYS 144 O -0.0008 -0.0009 -0.0043 4357 LYS 144 CB -0.0022 -0.0000 -0.0060 4358 LYS 144 CG -0.0032 -0.0001 -0.0075 4359 LYS 144 CD -0.0045 -0.0006 -0.0094 4360 LYS 144 CE -0.0055 -0.0008 -0.0108 4361 LYS 144 NZ -0.0078 0.0003 -0.0137 4362 TYR 145 N 0.0016 0.0010 0.0037 4363 TYR 145 CA 0.0017 0.0012 0.0045 4364 TYR 145 C 0.0018 0.0015 0.0055 4365 TYR 145 O 0.0012 0.0015 0.0057 4366 TYR 145 CB 0.0010 0.0011 0.0045 4367 TYR 145 CG 0.0013 0.0010 0.0039 4368 TYR 145 CD1 0.0016 0.0010 0.0040 4369 TYR 145 CD2 0.0012 0.0006 0.0028 4370 TYR 145 CE1 0.0019 0.0009 0.0034 4371 TYR 145 CE2 0.0015 0.0005 0.0021 4372 TYR 145 CZ 0.0018 0.0006 0.0024 4373 TYR 145 OH 0.0021 0.0004 0.0018 4374 HIS 146 N 0.0025 0.0018 0.0060 4375 HIS 146 CA 0.0026 0.0022 0.0072 4376 HIS 146 C 0.0032 0.0024 0.0076 4377 HIS 146 O 0.0034 0.0024 0.0074 4378 HIS 146 CB 0.0033 0.0022 0.0069 4379 HIS 146 CG 0.0041 0.0022 0.0063 4380 HIS 146 ND1 0.0053 0.0025 0.0070 4381 HIS 146 CD2 0.0047 0.0021 0.0059 4382 HIS 146 CE1 0.0057 0.0025 0.0066 4383 HIS 146 NE2 0.0058 0.0022 0.0057 4384 HIS 146 OXT 0.0032 0.0027 0.0086