1 VAL 1 N -0.0065 -0.0028 -0.0007 2 VAL 1 CA -0.0079 -0.0014 -0.0010 3 VAL 1 C -0.0068 0.0011 -0.0016 4 VAL 1 O -0.0059 0.0015 -0.0018 5 VAL 1 CB -0.0098 -0.0019 -0.0008 6 VAL 1 CG1 -0.0115 -0.0006 -0.0011 7 VAL 1 CG2 -0.0093 -0.0039 -0.0004 8 LEU 2 N -0.0080 0.0021 -0.0019 9 LEU 2 CA -0.0073 0.0045 -0.0025 10 LEU 2 C -0.0090 0.0060 -0.0028 11 LEU 2 O -0.0109 0.0055 -0.0026 12 LEU 2 CB -0.0078 0.0053 -0.0026 13 LEU 2 CG -0.0062 0.0053 -0.0027 14 LEU 2 CD1 -0.0039 0.0053 -0.0028 15 LEU 2 CD2 -0.0072 0.0055 -0.0027 16 SER 3 N -0.0080 0.0065 -0.0029 17 SER 3 CA -0.0094 0.0079 -0.0032 18 SER 3 C -0.0102 0.0096 -0.0036 19 SER 3 O -0.0094 0.0107 -0.0039 20 SER 3 CB -0.0077 0.0085 -0.0034 21 SER 3 OG -0.0062 0.0100 -0.0039 22 PRO 4 N -0.0124 0.0099 -0.0062 23 PRO 4 CA -0.0125 0.0102 -0.0063 24 PRO 4 C -0.0114 0.0121 -0.0053 25 PRO 4 O -0.0104 0.0121 -0.0046 26 PRO 4 CB -0.0143 0.0123 -0.0071 27 PRO 4 CG -0.0153 0.0111 -0.0080 28 PRO 4 CD -0.0143 0.0094 -0.0075 29 ALA 5 N -0.0105 0.0131 -0.0045 30 ALA 5 CA -0.0093 0.0146 -0.0036 31 ALA 5 C -0.0072 0.0132 -0.0024 32 ALA 5 O -0.0062 0.0139 -0.0016 33 ALA 5 CB -0.0088 0.0159 -0.0030 34 ASP 6 N -0.0068 0.0111 -0.0025 35 ASP 6 CA -0.0052 0.0096 -0.0017 36 ASP 6 C -0.0055 0.0094 -0.0019 37 ASP 6 O -0.0039 0.0095 -0.0008 38 ASP 6 CB -0.0050 0.0076 -0.0018 39 ASP 6 CG -0.0043 0.0079 -0.0013 40 ASP 6 OD1 -0.0031 0.0091 -0.0004 41 ASP 6 OD2 -0.0051 0.0065 -0.0020 42 LYS 7 N -0.0075 0.0083 -0.0037 43 LYS 7 CA -0.0067 0.0086 -0.0033 44 LYS 7 C -0.0062 0.0100 -0.0022 45 LYS 7 O -0.0048 0.0101 -0.0016 46 LYS 7 CB -0.0079 0.0077 -0.0043 47 LYS 7 CG -0.0083 0.0062 -0.0055 48 LYS 7 CD -0.0099 0.0056 -0.0065 49 LYS 7 CE -0.0106 0.0044 -0.0075 50 LYS 7 NZ -0.0117 0.0042 -0.0081 51 THR 8 N -0.0075 0.0114 -0.0018 52 THR 8 CA -0.0070 0.0129 -0.0006 53 THR 8 C -0.0054 0.0133 0.0002 54 THR 8 O -0.0043 0.0139 0.0010 55 THR 8 CB -0.0089 0.0142 -0.0005 56 THR 8 OG1 -0.0102 0.0139 -0.0012 57 THR 8 CG2 -0.0085 0.0155 0.0005 58 ASN 9 N -0.0050 0.0126 -0.0000 59 ASN 9 CA -0.0035 0.0128 0.0007 60 ASN 9 C -0.0016 0.0120 0.0008 61 ASN 9 O -0.0003 0.0124 0.0016 62 ASN 9 CB -0.0034 0.0123 0.0004 63 ASN 9 CG -0.0049 0.0135 0.0006 64 ASN 9 OD1 -0.0053 0.0149 0.0013 65 ASN 9 ND2 -0.0051 0.0131 0.0002 66 VAL 10 N -0.0013 0.0104 0.0007 67 VAL 10 CA -0.0003 0.0094 0.0008 68 VAL 10 C -0.0002 0.0099 0.0011 69 VAL 10 O 0.0008 0.0097 0.0016 70 VAL 10 CB -0.0005 0.0083 -0.0001 71 VAL 10 CG1 0.0004 0.0075 -0.0001 72 VAL 10 CG2 -0.0006 0.0080 -0.0004 73 LYS 11 N -0.0012 0.0102 0.0006 74 LYS 11 CA -0.0011 0.0103 0.0008 75 LYS 11 C -0.0007 0.0115 0.0018 76 LYS 11 O 0.0001 0.0115 0.0024 77 LYS 11 CB -0.0023 0.0106 0.0003 78 LYS 11 CG -0.0027 0.0098 -0.0006 79 LYS 11 CD -0.0036 0.0098 -0.0011 80 LYS 11 CE -0.0037 0.0082 -0.0022 81 LYS 11 NZ -0.0049 0.0085 -0.0028 82 ALA 12 N -0.0008 0.0122 0.0022 83 ALA 12 CA -0.0005 0.0131 0.0030 84 ALA 12 C 0.0005 0.0131 0.0036 85 ALA 12 O 0.0015 0.0132 0.0044 86 ALA 12 CB -0.0011 0.0141 0.0033 87 ALA 13 N 0.0033 0.0099 0.0048 88 ALA 13 CA 0.0038 0.0097 0.0054 89 ALA 13 C 0.0043 0.0090 0.0055 90 ALA 13 O 0.0047 0.0090 0.0059 91 ALA 13 CB 0.0039 0.0096 0.0054 92 TRP 14 N 0.0040 0.0085 0.0049 93 TRP 14 CA 0.0044 0.0078 0.0049 94 TRP 14 C 0.0044 0.0079 0.0050 95 TRP 14 O 0.0048 0.0076 0.0053 96 TRP 14 CB 0.0041 0.0071 0.0042 97 TRP 14 CG 0.0045 0.0066 0.0044 98 TRP 14 CD1 0.0045 0.0061 0.0041 99 TRP 14 CD2 0.0050 0.0062 0.0047 100 TRP 14 NE1 0.0050 0.0054 0.0043 101 TRP 14 CE2 0.0053 0.0054 0.0046 102 TRP 14 CE3 0.0052 0.0063 0.0050 103 TRP 14 CZ2 0.0057 0.0050 0.0048 104 TRP 14 CZ3 0.0057 0.0057 0.0052 105 TRP 14 CH2 0.0059 0.0051 0.0051 106 GLY 15 N 0.0039 0.0085 0.0048 107 GLY 15 CA 0.0039 0.0085 0.0048 108 GLY 15 C 0.0044 0.0089 0.0055 109 GLY 15 O 0.0047 0.0086 0.0057 110 LYS 16 N 0.0036 0.0077 0.0054 111 LYS 16 CA 0.0042 0.0080 0.0059 112 LYS 16 C 0.0047 0.0075 0.0061 113 LYS 16 O 0.0051 0.0076 0.0065 114 LYS 16 CB 0.0044 0.0084 0.0061 115 LYS 16 CG 0.0049 0.0088 0.0066 116 LYS 16 CD 0.0044 0.0095 0.0065 117 LYS 16 CE 0.0051 0.0094 0.0071 118 LYS 16 NZ 0.0055 0.0097 0.0074 119 VAL 17 N 0.0047 0.0068 0.0059 120 VAL 17 CA 0.0051 0.0064 0.0061 121 VAL 17 C 0.0053 0.0061 0.0062 122 VAL 17 O 0.0056 0.0062 0.0064 123 VAL 17 CB 0.0052 0.0058 0.0060 124 VAL 17 CG1 0.0055 0.0052 0.0060 125 VAL 17 CG2 0.0052 0.0059 0.0060 126 GLY 18 N 0.0047 0.0062 0.0057 127 GLY 18 CA 0.0046 0.0062 0.0056 128 GLY 18 C 0.0051 0.0054 0.0058 129 GLY 18 O 0.0050 0.0049 0.0055 130 ALA 19 N 0.0052 0.0047 0.0068 131 ALA 19 CA 0.0054 0.0046 0.0068 132 ALA 19 C 0.0057 0.0045 0.0068 133 ALA 19 O 0.0059 0.0043 0.0068 134 ALA 19 CB 0.0055 0.0049 0.0069 135 HIS 20 N 0.0058 0.0045 0.0068 136 HIS 20 CA 0.0061 0.0044 0.0068 137 HIS 20 C 0.0060 0.0040 0.0067 138 HIS 20 O 0.0062 0.0039 0.0067 139 HIS 20 CB 0.0061 0.0045 0.0069 140 HIS 20 CG 0.0062 0.0048 0.0070 141 HIS 20 ND1 0.0065 0.0049 0.0071 142 HIS 20 CD2 0.0060 0.0050 0.0071 143 HIS 20 CE1 0.0064 0.0052 0.0072 144 HIS 20 NE2 0.0062 0.0053 0.0072 145 ALA 21 N 0.0058 0.0039 0.0066 146 ALA 21 CA 0.0057 0.0036 0.0065 147 ALA 21 C 0.0061 0.0034 0.0065 148 ALA 21 O 0.0060 0.0032 0.0064 149 ALA 21 CB 0.0054 0.0035 0.0064 150 GLY 22 N 0.0047 0.0031 0.0055 151 GLY 22 CA 0.0047 0.0029 0.0057 152 GLY 22 C 0.0049 0.0029 0.0058 153 GLY 22 O 0.0050 0.0028 0.0059 154 GLU 23 N 0.0050 0.0031 0.0057 155 GLU 23 CA 0.0052 0.0031 0.0059 156 GLU 23 C 0.0053 0.0031 0.0060 157 GLU 23 O 0.0055 0.0031 0.0061 158 GLU 23 CB 0.0052 0.0033 0.0057 159 GLU 23 CG 0.0054 0.0034 0.0058 160 GLU 23 CD 0.0054 0.0036 0.0056 161 GLU 23 OE1 0.0056 0.0037 0.0057 162 GLU 23 OE2 0.0052 0.0036 0.0055 163 TYR 24 N 0.0053 0.0032 0.0059 164 TYR 24 CA 0.0055 0.0033 0.0060 165 TYR 24 C 0.0054 0.0031 0.0061 166 TYR 24 O 0.0056 0.0031 0.0062 167 TYR 24 CB 0.0054 0.0034 0.0058 168 TYR 24 CG 0.0055 0.0036 0.0057 169 TYR 24 CD1 0.0055 0.0038 0.0056 170 TYR 24 CD2 0.0056 0.0037 0.0057 171 TYR 24 CE1 0.0056 0.0039 0.0055 172 TYR 24 CE2 0.0056 0.0038 0.0056 173 TYR 24 CZ 0.0056 0.0040 0.0055 174 TYR 24 OH 0.0056 0.0041 0.0054 175 GLY 25 N 0.0051 0.0024 0.0074 176 GLY 25 CA 0.0049 0.0033 0.0081 177 GLY 25 C 0.0040 0.0037 0.0080 178 GLY 25 O 0.0037 0.0043 0.0084 179 ALA 26 N 0.0031 0.0036 0.0075 180 ALA 26 CA 0.0023 0.0039 0.0073 181 ALA 26 C 0.0019 0.0038 0.0071 182 ALA 26 O 0.0014 0.0042 0.0072 183 ALA 26 CB 0.0014 0.0037 0.0067 184 GLU 27 N 0.0024 0.0029 0.0065 185 GLU 27 CA 0.0023 0.0026 0.0063 186 GLU 27 C 0.0029 0.0031 0.0069 187 GLU 27 O 0.0024 0.0033 0.0069 188 GLU 27 CB 0.0027 0.0017 0.0057 189 GLU 27 CG 0.0027 0.0013 0.0054 190 GLU 27 CD 0.0032 0.0003 0.0047 191 GLU 27 OE1 0.0035 0.0001 0.0047 192 GLU 27 OE2 0.0031 -0.0001 0.0044 193 ALA 28 N 0.0027 0.0026 0.0070 194 ALA 28 CA 0.0034 0.0031 0.0078 195 ALA 28 C 0.0026 0.0041 0.0085 196 ALA 28 O 0.0027 0.0046 0.0090 197 ALA 28 CB 0.0046 0.0032 0.0082 198 LEU 29 N 0.0021 0.0044 0.0087 199 LEU 29 CA 0.0011 0.0054 0.0093 200 LEU 29 C 0.0001 0.0054 0.0090 201 LEU 29 O -0.0001 0.0060 0.0096 202 LEU 29 CB 0.0005 0.0058 0.0095 203 LEU 29 CG 0.0015 0.0059 0.0099 204 LEU 29 CD1 0.0006 0.0060 0.0097 205 LEU 29 CD2 0.0017 0.0068 0.0109 206 GLU 30 N -0.0006 0.0047 0.0081 207 GLU 30 CA -0.0014 0.0047 0.0078 208 GLU 30 C -0.0009 0.0047 0.0079 209 GLU 30 O -0.0015 0.0051 0.0081 210 GLU 30 CB -0.0021 0.0039 0.0069 211 GLU 30 CG -0.0028 0.0039 0.0066 212 GLU 30 CD -0.0038 0.0030 0.0054 213 GLU 30 OE1 -0.0032 0.0025 0.0051 214 GLU 30 OE2 -0.0049 0.0033 0.0053 215 ARG 31 N -0.0001 0.0036 0.0078 216 ARG 31 CA 0.0006 0.0031 0.0078 217 ARG 31 C 0.0008 0.0035 0.0089 218 ARG 31 O 0.0009 0.0034 0.0087 219 ARG 31 CB 0.0016 0.0024 0.0077 220 ARG 31 CG 0.0014 0.0018 0.0066 221 ARG 31 CD 0.0024 0.0012 0.0066 222 ARG 31 NE 0.0024 0.0005 0.0054 223 ARG 31 CZ 0.0025 0.0001 0.0047 224 ARG 31 NH1 0.0026 0.0000 0.0048 225 ARG 31 NH2 0.0023 -0.0003 0.0038 226 MET 32 N 0.0009 0.0039 0.0097 227 MET 32 CA 0.0011 0.0044 0.0107 228 MET 32 C 0.0002 0.0050 0.0107 229 MET 32 O 0.0003 0.0051 0.0111 230 MET 32 CB 0.0012 0.0047 0.0116 231 MET 32 CG 0.0015 0.0052 0.0127 232 MET 32 SD 0.0015 0.0056 0.0137 233 MET 32 CE 0.0003 0.0064 0.0134 234 PHE 33 N -0.0006 0.0054 0.0104 235 PHE 33 CA -0.0015 0.0060 0.0103 236 PHE 33 C -0.0017 0.0059 0.0098 237 PHE 33 O -0.0020 0.0061 0.0100 238 PHE 33 CB -0.0025 0.0065 0.0100 239 PHE 33 CG -0.0025 0.0070 0.0108 240 PHE 33 CD1 -0.0022 0.0073 0.0117 241 PHE 33 CD2 -0.0030 0.0070 0.0102 242 PHE 33 CE1 -0.0024 0.0078 0.0125 243 PHE 33 CE2 -0.0030 0.0074 0.0110 244 PHE 33 CZ -0.0027 0.0078 0.0119 245 LEU 34 N -0.0027 0.0054 0.0089 246 LEU 34 CA -0.0027 0.0052 0.0084 247 LEU 34 C -0.0017 0.0050 0.0089 248 LEU 34 O -0.0018 0.0051 0.0090 249 LEU 34 CB -0.0027 0.0048 0.0074 250 LEU 34 CG -0.0035 0.0048 0.0067 251 LEU 34 CD1 -0.0036 0.0044 0.0056 252 LEU 34 CD2 -0.0044 0.0052 0.0070 253 SER 35 N -0.0008 0.0048 0.0091 254 SER 35 CA 0.0000 0.0045 0.0093 255 SER 35 C 0.0002 0.0049 0.0105 256 SER 35 O 0.0007 0.0049 0.0109 257 SER 35 CB 0.0010 0.0041 0.0092 258 SER 35 OG 0.0011 0.0037 0.0082 259 PHE 36 N -0.0002 0.0053 0.0110 260 PHE 36 CA -0.0001 0.0057 0.0122 261 PHE 36 C -0.0012 0.0062 0.0124 262 PHE 36 O -0.0014 0.0065 0.0129 263 PHE 36 CB 0.0006 0.0056 0.0125 264 PHE 36 CG 0.0016 0.0051 0.0122 265 PHE 36 CD1 0.0018 0.0047 0.0114 266 PHE 36 CD2 0.0023 0.0049 0.0125 267 PHE 36 CE1 0.0027 0.0042 0.0111 268 PHE 36 CE2 0.0032 0.0045 0.0121 269 PHE 36 CZ 0.0034 0.0041 0.0113 270 PRO 37 N 0.0011 0.0045 0.0158 271 PRO 37 CA 0.0011 0.0040 0.0159 272 PRO 37 C 0.0007 0.0034 0.0159 273 PRO 37 O 0.0004 0.0031 0.0159 274 PRO 37 CB 0.0018 0.0040 0.0162 275 PRO 37 CG 0.0022 0.0043 0.0162 276 PRO 37 CD 0.0018 0.0047 0.0160 277 THR 38 N 0.0005 0.0031 0.0160 278 THR 38 CA 0.0001 0.0024 0.0160 279 THR 38 C -0.0006 0.0025 0.0157 280 THR 38 O -0.0010 0.0020 0.0157 281 THR 38 CB 0.0000 0.0022 0.0161 282 THR 38 OG1 -0.0001 0.0027 0.0159 283 THR 38 CG2 0.0008 0.0020 0.0164 284 THR 39 N -0.0009 0.0032 0.0155 285 THR 39 CA -0.0016 0.0032 0.0152 286 THR 39 C -0.0017 0.0031 0.0152 287 THR 39 O -0.0022 0.0030 0.0150 288 THR 39 CB -0.0018 0.0039 0.0149 289 THR 39 OG1 -0.0013 0.0045 0.0149 290 THR 39 CG2 -0.0018 0.0041 0.0149 291 LYS 40 N -0.0004 0.0020 0.0155 292 LYS 40 CA 0.0000 0.0032 0.0154 293 LYS 40 C 0.0001 0.0029 0.0153 294 LYS 40 O 0.0004 0.0037 0.0153 295 LYS 40 CB 0.0014 0.0036 0.0144 296 LYS 40 CG 0.0014 0.0042 0.0145 297 LYS 40 CD 0.0026 0.0048 0.0136 298 LYS 40 CE 0.0032 0.0038 0.0128 299 LYS 40 NZ 0.0043 0.0043 0.0119 300 THR 41 N -0.0001 0.0016 0.0151 301 THR 41 CA -0.0002 0.0011 0.0150 302 THR 41 C -0.0009 0.0017 0.0158 303 THR 41 O -0.0010 0.0017 0.0159 304 THR 41 CB -0.0004 -0.0005 0.0147 305 THR 41 OG1 -0.0014 -0.0010 0.0154 306 THR 41 CG2 0.0005 -0.0010 0.0137 307 TYR 42 N -0.0017 0.0022 0.0167 308 TYR 42 CA -0.0025 0.0026 0.0176 309 TYR 42 C -0.0022 0.0043 0.0178 310 TYR 42 O -0.0028 0.0049 0.0186 311 TYR 42 CB -0.0035 0.0025 0.0184 312 TYR 42 CG -0.0040 0.0009 0.0184 313 TYR 42 CD1 -0.0046 0.0003 0.0188 314 TYR 42 CD2 -0.0038 0.0001 0.0179 315 TYR 42 CE1 -0.0049 -0.0011 0.0185 316 TYR 42 CE2 -0.0042 -0.0013 0.0179 317 TYR 42 CZ -0.0048 -0.0019 0.0182 318 TYR 42 OH -0.0052 -0.0032 0.0181 319 PHE 43 N -0.0024 0.0104 0.0174 320 PHE 43 CA -0.0030 0.0124 0.0162 321 PHE 43 C -0.0033 0.0139 0.0145 322 PHE 43 O -0.0034 0.0147 0.0127 323 PHE 43 CB -0.0026 0.0117 0.0153 324 PHE 43 CG -0.0024 0.0106 0.0173 325 PHE 43 CD1 -0.0016 0.0080 0.0179 326 PHE 43 CD2 -0.0030 0.0115 0.0188 327 PHE 43 CE1 -0.0015 0.0070 0.0195 328 PHE 43 CE2 -0.0028 0.0104 0.0207 329 PHE 43 CZ -0.0019 0.0079 0.0207 330 PRO 44 N -0.0035 0.0144 0.0150 331 PRO 44 CA -0.0037 0.0155 0.0129 332 PRO 44 C -0.0048 0.0187 0.0130 333 PRO 44 O -0.0050 0.0198 0.0112 334 PRO 44 CB -0.0039 0.0156 0.0139 335 PRO 44 CG -0.0042 0.0155 0.0167 336 PRO 44 CD -0.0036 0.0139 0.0171 337 HIS 45 N -0.0052 0.0192 0.0147 338 HIS 45 CA -0.0061 0.0216 0.0149 339 HIS 45 C -0.0062 0.0221 0.0138 340 HIS 45 O -0.0068 0.0238 0.0140 341 HIS 45 CB -0.0067 0.0221 0.0174 342 HIS 45 CG -0.0065 0.0208 0.0197 343 HIS 45 ND1 -0.0055 0.0182 0.0195 344 HIS 45 CD2 -0.0068 0.0212 0.0208 345 HIS 45 CE1 -0.0054 0.0173 0.0213 346 HIS 45 NE2 -0.0062 0.0193 0.0220 347 PHE 46 N -0.0080 0.0177 0.0146 348 PHE 46 CA -0.0080 0.0165 0.0135 349 PHE 46 C -0.0094 0.0163 0.0119 350 PHE 46 O -0.0097 0.0162 0.0115 351 PHE 46 CB -0.0065 0.0148 0.0138 352 PHE 46 CG -0.0055 0.0148 0.0148 353 PHE 46 CD1 -0.0042 0.0132 0.0148 354 PHE 46 CD2 -0.0053 0.0157 0.0158 355 PHE 46 CE1 -0.0030 0.0129 0.0159 356 PHE 46 CE2 -0.0041 0.0156 0.0170 357 PHE 46 CZ -0.0028 0.0143 0.0172 358 ASP 47 N -0.0098 0.0156 0.0109 359 ASP 47 CA -0.0107 0.0147 0.0092 360 ASP 47 C -0.0094 0.0127 0.0089 361 ASP 47 O -0.0086 0.0120 0.0091 362 ASP 47 CB -0.0115 0.0146 0.0083 363 ASP 47 CG -0.0126 0.0138 0.0065 364 ASP 47 OD1 -0.0126 0.0132 0.0059 365 ASP 47 OD2 -0.0128 0.0135 0.0059 366 LEU 48 N -0.0095 0.0125 0.0086 367 LEU 48 CA -0.0085 0.0109 0.0083 368 LEU 48 C -0.0091 0.0096 0.0066 369 LEU 48 O -0.0082 0.0083 0.0064 370 LEU 48 CB -0.0077 0.0110 0.0093 371 LEU 48 CG -0.0067 0.0117 0.0110 372 LEU 48 CD1 -0.0064 0.0120 0.0115 373 LEU 48 CD2 -0.0056 0.0113 0.0118 374 SER 49 N -0.0123 0.0101 0.0073 375 SER 49 CA -0.0135 0.0086 0.0060 376 SER 49 C -0.0120 0.0072 0.0060 377 SER 49 O -0.0106 0.0069 0.0065 378 SER 49 CB -0.0150 0.0094 0.0056 379 SER 49 OG -0.0149 0.0092 0.0056 380 HIS 50 N -0.0124 0.0055 0.0050 381 HIS 50 CA -0.0108 0.0044 0.0051 382 HIS 50 C -0.0107 0.0035 0.0048 383 HIS 50 O -0.0124 0.0036 0.0040 384 HIS 50 CB -0.0119 0.0025 0.0037 385 HIS 50 CG -0.0109 0.0010 0.0035 386 HIS 50 ND1 -0.0093 0.0003 0.0038 387 HIS 50 CD2 -0.0117 -0.0007 0.0022 388 HIS 50 CE1 -0.0086 -0.0014 0.0033 389 HIS 50 NE2 -0.0101 -0.0018 0.0024 390 GLY 51 N -0.0097 0.0031 0.0051 391 GLY 51 CA -0.0091 0.0026 0.0051 392 GLY 51 C -0.0091 0.0040 0.0058 393 GLY 51 O -0.0092 0.0035 0.0055 394 SER 52 N -0.0095 0.0052 0.0055 395 SER 52 CA -0.0096 0.0070 0.0065 396 SER 52 C -0.0082 0.0066 0.0070 397 SER 52 O -0.0066 0.0061 0.0077 398 SER 52 CB -0.0101 0.0087 0.0072 399 SER 52 OG -0.0085 0.0091 0.0084 400 ALA 53 N -0.0086 0.0075 0.0073 401 ALA 53 CA -0.0072 0.0072 0.0080 402 ALA 53 C -0.0058 0.0084 0.0095 403 ALA 53 O -0.0042 0.0079 0.0101 404 ALA 53 CB -0.0081 0.0084 0.0082 405 GLN 54 N -0.0064 0.0099 0.0101 406 GLN 54 CA -0.0051 0.0110 0.0114 407 GLN 54 C -0.0036 0.0096 0.0115 408 GLN 54 O -0.0021 0.0100 0.0126 409 GLN 54 CB -0.0063 0.0126 0.0118 410 GLN 54 CG -0.0072 0.0141 0.0122 411 GLN 54 CD -0.0085 0.0154 0.0122 412 GLN 54 OE1 -0.0100 0.0152 0.0112 413 GLN 54 NE2 -0.0089 0.0173 0.0131 414 VAL 55 N -0.0039 0.0075 0.0100 415 VAL 55 CA -0.0030 0.0072 0.0099 416 VAL 55 C -0.0019 0.0060 0.0095 417 VAL 55 O -0.0006 0.0059 0.0096 418 VAL 55 CB -0.0042 0.0071 0.0098 419 VAL 55 CG1 -0.0034 0.0065 0.0096 420 VAL 55 CG2 -0.0049 0.0085 0.0104 421 LYS 56 N -0.0025 0.0048 0.0090 422 LYS 56 CA -0.0015 0.0037 0.0086 423 LYS 56 C -0.0001 0.0040 0.0088 424 LYS 56 O 0.0012 0.0035 0.0087 425 LYS 56 CB -0.0023 0.0023 0.0079 426 LYS 56 CG -0.0035 0.0020 0.0077 427 LYS 56 CD -0.0039 0.0002 0.0069 428 LYS 56 CE -0.0055 -0.0005 0.0065 429 LYS 56 NZ -0.0056 -0.0019 0.0059 430 GLY 57 N -0.0005 0.0048 0.0091 431 GLY 57 CA 0.0008 0.0053 0.0094 432 GLY 57 C 0.0020 0.0063 0.0099 433 GLY 57 O 0.0033 0.0059 0.0098 434 HIS 58 N 0.0002 0.0055 0.0104 435 HIS 58 CA 0.0015 0.0063 0.0112 436 HIS 58 C 0.0031 0.0058 0.0105 437 HIS 58 O 0.0043 0.0062 0.0107 438 HIS 58 CB 0.0007 0.0073 0.0122 439 HIS 58 CG 0.0021 0.0083 0.0131 440 HIS 58 ND1 0.0027 0.0088 0.0135 441 HIS 58 CD2 0.0026 0.0089 0.0136 442 HIS 58 CE1 0.0038 0.0095 0.0141 443 HIS 58 NE2 0.0037 0.0096 0.0142 444 GLY 59 N 0.0025 0.0052 0.0099 445 GLY 59 CA 0.0038 0.0046 0.0092 446 GLY 59 C 0.0047 0.0040 0.0085 447 GLY 59 O 0.0063 0.0041 0.0084 448 LYS 60 N 0.0041 0.0034 0.0080 449 LYS 60 CA 0.0050 0.0029 0.0074 450 LYS 60 C 0.0061 0.0035 0.0078 451 LYS 60 O 0.0073 0.0034 0.0076 452 LYS 60 CB 0.0039 0.0020 0.0066 453 LYS 60 CG 0.0046 0.0014 0.0060 454 LYS 60 CD 0.0033 0.0007 0.0054 455 LYS 60 CE 0.0046 0.0000 0.0045 456 LYS 60 NZ 0.0016 -0.0009 0.0039 457 LYS 61 N 0.0052 0.0037 0.0071 458 LYS 61 CA 0.0056 0.0040 0.0075 459 LYS 61 C 0.0063 0.0043 0.0078 460 LYS 61 O 0.0068 0.0043 0.0077 461 LYS 61 CB 0.0052 0.0044 0.0081 462 LYS 61 CG 0.0045 0.0043 0.0080 463 LYS 61 CD 0.0040 0.0047 0.0085 464 LYS 61 CE 0.0037 0.0047 0.0085 465 LYS 61 NZ 0.0030 0.0050 0.0090 466 VAL 62 N 0.0062 0.0043 0.0078 467 VAL 62 CA 0.0069 0.0045 0.0080 468 VAL 62 C 0.0076 0.0041 0.0075 469 VAL 62 O 0.0081 0.0043 0.0076 470 VAL 62 CB 0.0067 0.0046 0.0081 471 VAL 62 CG1 0.0073 0.0047 0.0083 472 VAL 62 CG2 0.0063 0.0050 0.0087 473 ALA 63 N 0.0072 0.0038 0.0071 474 ALA 63 CA 0.0077 0.0034 0.0066 475 ALA 63 C 0.0080 0.0033 0.0064 476 ALA 63 O 0.0086 0.0033 0.0063 477 ALA 63 CB 0.0073 0.0030 0.0061 478 ASP 64 N 0.0084 0.0024 0.0046 479 ASP 64 CA 0.0078 0.0024 0.0040 480 ASP 64 C 0.0071 0.0021 0.0031 481 ASP 64 O 0.0065 0.0025 0.0028 482 ASP 64 CB 0.0083 0.0015 0.0039 483 ASP 64 CG 0.0088 0.0018 0.0046 484 ASP 64 OD1 0.0087 0.0028 0.0052 485 ASP 64 OD2 0.0093 0.0010 0.0045 486 ALA 65 N 0.0075 0.0014 0.0030 487 ALA 65 CA 0.0068 0.0015 0.0023 488 ALA 65 C 0.0061 0.0023 0.0023 489 ALA 65 O 0.0054 0.0024 0.0017 490 ALA 65 CB 0.0072 0.0006 0.0021 491 LEU 66 N 0.0065 0.0028 0.0030 492 LEU 66 CA 0.0058 0.0037 0.0030 493 LEU 66 C 0.0053 0.0043 0.0030 494 LEU 66 O 0.0045 0.0047 0.0025 495 LEU 66 CB 0.0063 0.0041 0.0038 496 LEU 66 CG 0.0067 0.0037 0.0039 497 LEU 66 CD1 0.0072 0.0041 0.0047 498 LEU 66 CD2 0.0061 0.0036 0.0032 499 THR 67 N 0.0070 0.0035 0.0026 500 THR 67 CA 0.0062 0.0044 0.0025 501 THR 67 C 0.0048 0.0039 0.0006 502 THR 67 O 0.0031 0.0051 -0.0003 503 THR 67 CB 0.0073 0.0045 0.0037 504 THR 67 OG1 0.0081 0.0051 0.0051 505 THR 67 CG2 0.0062 0.0049 0.0030 506 ASN 68 N 0.0053 0.0020 -0.0003 507 ASN 68 CA 0.0040 0.0013 -0.0022 508 ASN 68 C 0.0028 0.0018 -0.0031 509 ASN 68 O 0.0012 0.0025 -0.0044 510 ASN 68 CB 0.0048 -0.0008 -0.0029 511 ASN 68 CG 0.0037 -0.0018 -0.0049 512 ASN 68 OD1 0.0028 -0.0012 -0.0055 513 ASN 68 ND2 0.0042 -0.0036 -0.0058 514 ALA 69 N 0.0030 0.0021 -0.0026 515 ALA 69 CA 0.0016 0.0026 -0.0038 516 ALA 69 C 0.0005 0.0048 -0.0033 517 ALA 69 O -0.0008 0.0053 -0.0043 518 ALA 69 CB 0.0024 0.0025 -0.0030 519 VAL 70 N 0.0019 0.0049 -0.0021 520 VAL 70 CA 0.0004 0.0069 -0.0015 521 VAL 70 C -0.0006 0.0072 -0.0023 522 VAL 70 O -0.0022 0.0082 -0.0029 523 VAL 70 CB 0.0013 0.0078 0.0004 524 VAL 70 CG1 0.0004 0.0099 0.0017 525 VAL 70 CG2 0.0021 0.0079 0.0013 526 ALA 71 N 0.0003 0.0060 -0.0026 527 ALA 71 CA -0.0005 0.0059 -0.0036 528 ALA 71 C -0.0016 0.0055 -0.0051 529 ALA 71 O -0.0031 0.0062 -0.0060 530 ALA 71 CB 0.0010 0.0047 -0.0032 531 HIS 72 N -0.0017 0.0043 -0.0064 532 HIS 72 CA -0.0028 0.0037 -0.0083 533 HIS 72 C -0.0037 0.0041 -0.0089 534 HIS 72 O -0.0038 0.0029 -0.0102 535 HIS 72 CB -0.0018 0.0013 -0.0097 536 HIS 72 CG -0.0010 0.0014 -0.0088 537 HIS 72 ND1 -0.0015 0.0007 -0.0101 538 HIS 72 CD2 0.0007 0.0005 -0.0079 539 HIS 72 CE1 -0.0011 0.0013 -0.0089 540 HIS 72 NE2 0.0009 0.0003 -0.0080 541 VAL 73 N -0.0044 0.0048 -0.0070 542 VAL 73 CA -0.0057 0.0053 -0.0075 543 VAL 73 C -0.0070 0.0049 -0.0095 544 VAL 73 O -0.0077 0.0043 -0.0111 545 VAL 73 CB -0.0063 0.0069 -0.0056 546 VAL 73 CG1 -0.0078 0.0085 -0.0047 547 VAL 73 CG2 -0.0060 0.0071 -0.0049 548 ASP 74 N -0.0082 0.0053 -0.0102 549 ASP 74 CA -0.0102 0.0050 -0.0127 550 ASP 74 C -0.0086 0.0028 -0.0145 551 ASP 74 O -0.0104 0.0027 -0.0165 552 ASP 74 CB -0.0114 0.0057 -0.0128 553 ASP 74 CG -0.0132 0.0081 -0.0109 554 ASP 74 OD1 -0.0139 0.0087 -0.0107 555 ASP 74 OD2 -0.0127 0.0091 -0.0087 556 ASP 75 N -0.0072 0.0017 -0.0146 557 ASP 75 CA -0.0060 -0.0003 -0.0167 558 ASP 75 C -0.0034 -0.0014 -0.0155 559 ASP 75 O -0.0017 -0.0029 -0.0162 560 ASP 75 CB -0.0048 -0.0010 -0.0163 561 ASP 75 CG -0.0054 -0.0012 -0.0175 562 ASP 75 OD1 -0.0061 -0.0028 -0.0206 563 ASP 75 OD2 -0.0029 -0.0032 -0.0179 564 MET 76 N -0.0030 0.0003 -0.0159 565 MET 76 CA -0.0018 -0.0014 -0.0136 566 MET 76 C -0.0013 -0.0031 -0.0147 567 MET 76 O -0.0002 -0.0052 -0.0140 568 MET 76 CB -0.0025 0.0008 -0.0117 569 MET 76 CG -0.0023 0.0010 -0.0101 570 MET 76 SD -0.0026 0.0029 -0.0066 571 MET 76 CE -0.0038 0.0056 -0.0067 572 PRO 77 N -0.0019 -0.0023 -0.0166 573 PRO 77 CA -0.0014 -0.0041 -0.0181 574 PRO 77 C -0.0005 -0.0064 -0.0187 575 PRO 77 O 0.0006 -0.0087 -0.0183 576 PRO 77 CB -0.0023 -0.0029 -0.0206 577 PRO 77 CG -0.0032 -0.0002 -0.0191 578 PRO 77 CD -0.0032 0.0002 -0.0176 579 ASN 78 N -0.0006 -0.0068 -0.0203 580 ASN 78 CA 0.0002 -0.0089 -0.0215 581 ASN 78 C 0.0011 -0.0101 -0.0191 582 ASN 78 O 0.0023 -0.0125 -0.0184 583 ASN 78 CB -0.0001 -0.0091 -0.0237 584 ASN 78 CG -0.0004 -0.0091 -0.0254 585 ASN 78 OD1 -0.0021 -0.0059 -0.0275 586 ASN 78 ND2 -0.0002 -0.0101 -0.0268 587 ALA 79 N -0.0002 -0.0077 -0.0172 588 ALA 79 CA 0.0003 -0.0086 -0.0153 589 ALA 79 C 0.0012 -0.0104 -0.0129 590 ALA 79 O 0.0017 -0.0123 -0.0123 591 ALA 79 CB 0.0001 -0.0066 -0.0144 592 LEU 80 N 0.0011 -0.0093 -0.0122 593 LEU 80 CA 0.0018 -0.0102 -0.0099 594 LEU 80 C 0.0020 -0.0122 -0.0110 595 LEU 80 O 0.0024 -0.0128 -0.0095 596 LEU 80 CB 0.0017 -0.0081 -0.0082 597 LEU 80 CG 0.0016 -0.0064 -0.0069 598 LEU 80 CD1 0.0014 -0.0043 -0.0054 599 LEU 80 CD2 0.0024 -0.0084 -0.0052 600 SER 81 N 0.0016 -0.0130 -0.0137 601 SER 81 CA 0.0017 -0.0141 -0.0144 602 SER 81 C 0.0025 -0.0166 -0.0132 603 SER 81 O 0.0028 -0.0172 -0.0124 604 SER 81 CB 0.0013 -0.0153 -0.0178 605 SER 81 OG 0.0012 -0.0158 -0.0185 606 ALA 82 N 0.0009 -0.0182 -0.0114 607 ALA 82 CA 0.0010 -0.0209 -0.0099 608 ALA 82 C 0.0009 -0.0200 -0.0070 609 ALA 82 O 0.0009 -0.0212 -0.0052 610 ALA 82 CB 0.0010 -0.0234 -0.0099 611 LEU 83 N 0.0008 -0.0182 -0.0055 612 LEU 83 CA 0.0007 -0.0176 -0.0021 613 LEU 83 C 0.0006 -0.0153 -0.0018 614 LEU 83 O 0.0006 -0.0155 0.0006 615 LEU 83 CB 0.0006 -0.0157 -0.0011 616 LEU 83 CG 0.0006 -0.0163 0.0011 617 LEU 83 CD1 0.0007 -0.0199 0.0013 618 LEU 83 CD2 0.0006 -0.0159 0.0010 619 SER 84 N 0.0006 -0.0134 -0.0038 620 SER 84 CA 0.0006 -0.0118 -0.0034 621 SER 84 C 0.0006 -0.0136 -0.0035 622 SER 84 O 0.0006 -0.0129 -0.0020 623 SER 84 CB 0.0006 -0.0088 -0.0061 624 SER 84 OG 0.0006 -0.0094 -0.0079 625 ASP 85 N 0.0005 -0.0141 -0.0046 626 ASP 85 CA 0.0005 -0.0153 -0.0045 627 ASP 85 C 0.0000 -0.0167 -0.0023 628 ASP 85 O -0.0003 -0.0164 -0.0011 629 ASP 85 CB 0.0009 -0.0174 -0.0064 630 ASP 85 CG 0.0014 -0.0158 -0.0087 631 ASP 85 OD1 0.0015 -0.0149 -0.0091 632 ASP 85 OD2 0.0019 -0.0178 -0.0110 633 LEU 86 N -0.0003 -0.0178 -0.0011 634 LEU 86 CA -0.0007 -0.0191 0.0010 635 LEU 86 C -0.0012 -0.0175 0.0031 636 LEU 86 O -0.0015 -0.0180 0.0047 637 LEU 86 CB -0.0008 -0.0205 0.0014 638 LEU 86 CG -0.0013 -0.0216 0.0033 639 LEU 86 CD1 -0.0013 -0.0240 0.0034 640 LEU 86 CD2 -0.0015 -0.0227 0.0046 641 HIS 87 N -0.0011 -0.0152 0.0029 642 HIS 87 CA -0.0016 -0.0139 0.0053 643 HIS 87 C -0.0015 -0.0124 0.0049 644 HIS 87 O -0.0019 -0.0121 0.0067 645 HIS 87 CB -0.0016 -0.0116 0.0054 646 HIS 87 CG -0.0019 -0.0128 0.0067 647 HIS 87 ND1 -0.0016 -0.0140 0.0051 648 HIS 87 CD2 -0.0024 -0.0128 0.0088 649 HIS 87 CE1 -0.0019 -0.0149 0.0066 650 HIS 87 NE2 -0.0024 -0.0140 0.0088 651 ALA 88 N -0.0010 -0.0116 0.0029 652 ALA 88 CA -0.0009 -0.0104 0.0025 653 ALA 88 C -0.0011 -0.0120 0.0032 654 ALA 88 O -0.0012 -0.0111 0.0036 655 ALA 88 CB -0.0004 -0.0092 0.0006 656 HIS 89 N -0.0009 -0.0137 0.0023 657 HIS 89 CA -0.0009 -0.0150 0.0023 658 HIS 89 C -0.0013 -0.0165 0.0038 659 HIS 89 O -0.0015 -0.0172 0.0046 660 HIS 89 CB -0.0005 -0.0160 0.0004 661 HIS 89 CG -0.0001 -0.0146 -0.0013 662 HIS 89 ND1 -0.0000 -0.0128 -0.0013 663 HIS 89 CD2 0.0004 -0.0142 -0.0032 664 HIS 89 CE1 0.0003 -0.0112 -0.0027 665 HIS 89 NE2 0.0006 -0.0126 -0.0037 666 LYS 90 N -0.0016 -0.0172 0.0048 667 LYS 90 CA -0.0020 -0.0184 0.0063 668 LYS 90 C -0.0025 -0.0180 0.0084 669 LYS 90 O -0.0028 -0.0178 0.0097 670 LYS 90 CB -0.0018 -0.0204 0.0056 671 LYS 90 CG -0.0014 -0.0216 0.0036 672 LYS 90 CD -0.0014 -0.0223 0.0037 673 LYS 90 CE -0.0009 -0.0243 0.0018 674 LYS 90 NZ -0.0012 -0.0239 0.0027 675 LEU 91 N -0.0030 -0.0144 0.0093 676 LEU 91 CA -0.0037 -0.0141 0.0110 677 LEU 91 C -0.0041 -0.0121 0.0118 678 LEU 91 O -0.0046 -0.0120 0.0134 679 LEU 91 CB -0.0037 -0.0139 0.0111 680 LEU 91 CG -0.0034 -0.0158 0.0106 681 LEU 91 CD1 -0.0033 -0.0157 0.0104 682 LEU 91 CD2 -0.0037 -0.0174 0.0118 683 ARG 92 N -0.0037 -0.0107 0.0106 684 ARG 92 CA -0.0040 -0.0086 0.0109 685 ARG 92 C -0.0045 -0.0077 0.0125 686 ARG 92 O -0.0050 -0.0069 0.0138 687 ARG 92 CB -0.0039 -0.0091 0.0109 688 ARG 92 CG -0.0033 -0.0094 0.0092 689 ARG 92 CD -0.0033 -0.0119 0.0097 690 ARG 92 NE -0.0031 -0.0101 0.0088 691 ARG 92 CZ -0.0031 -0.0128 0.0091 692 ARG 92 NH1 -0.0035 -0.0142 0.0105 693 ARG 92 NH2 -0.0030 -0.0120 0.0089 694 VAL 93 N -0.0046 -0.0075 0.0127 695 VAL 93 CA -0.0052 -0.0065 0.0141 696 VAL 93 C -0.0052 -0.0045 0.0139 697 VAL 93 O -0.0048 -0.0035 0.0124 698 VAL 93 CB -0.0051 -0.0071 0.0141 699 VAL 93 CG1 -0.0057 -0.0060 0.0155 700 VAL 93 CG2 -0.0051 -0.0094 0.0144 701 ASP 94 N -0.0037 -0.0040 0.0153 702 ASP 94 CA -0.0034 -0.0030 0.0154 703 ASP 94 C -0.0032 -0.0022 0.0147 704 ASP 94 O -0.0032 -0.0022 0.0149 705 ASP 94 CB -0.0032 -0.0027 0.0165 706 ASP 94 CG -0.0029 -0.0018 0.0165 707 ASP 94 OD1 -0.0029 -0.0019 0.0167 708 ASP 94 OD2 -0.0027 -0.0009 0.0163 709 PRO 95 N -0.0030 -0.0015 0.0142 710 PRO 95 CA -0.0028 -0.0009 0.0134 711 PRO 95 C -0.0026 -0.0002 0.0141 712 PRO 95 O -0.0025 0.0002 0.0136 713 PRO 95 CB -0.0026 -0.0002 0.0130 714 PRO 95 CG -0.0029 -0.0009 0.0128 715 PRO 95 CD -0.0030 -0.0016 0.0138 716 VAL 96 N -0.0025 0.0000 0.0151 717 VAL 96 CA -0.0022 0.0007 0.0156 718 VAL 96 C -0.0023 0.0004 0.0156 719 VAL 96 O -0.0021 0.0009 0.0157 720 VAL 96 CB -0.0021 0.0009 0.0168 721 VAL 96 CG1 -0.0022 0.0004 0.0174 722 VAL 96 CG2 -0.0019 0.0016 0.0169 723 ASN 97 N -0.0011 0.0003 0.0161 724 ASN 97 CA -0.0016 -0.0004 0.0158 725 ASN 97 C -0.0015 -0.0005 0.0137 726 ASN 97 O -0.0016 -0.0006 0.0135 727 ASN 97 CB -0.0029 -0.0021 0.0162 728 ASN 97 CG -0.0031 -0.0021 0.0182 729 ASN 97 OD1 -0.0032 -0.0020 0.0192 730 ASN 97 ND2 -0.0033 -0.0023 0.0186 731 PHE 98 N -0.0011 -0.0001 0.0126 732 PHE 98 CA -0.0008 -0.0000 0.0107 733 PHE 98 C 0.0002 0.0013 0.0105 734 PHE 98 O 0.0002 0.0012 0.0093 735 PHE 98 CB -0.0006 0.0001 0.0093 736 PHE 98 CG -0.0016 -0.0012 0.0093 737 PHE 98 CD1 -0.0021 -0.0021 0.0079 738 PHE 98 CD2 -0.0020 -0.0016 0.0106 739 PHE 98 CE1 -0.0030 -0.0032 0.0077 740 PHE 98 CE2 -0.0030 -0.0030 0.0104 741 PHE 98 CZ -0.0034 -0.0036 0.0090 742 LYS 99 N 0.0009 0.0024 0.0115 743 LYS 99 CA 0.0018 0.0036 0.0116 744 LYS 99 C 0.0015 0.0033 0.0123 745 LYS 99 O 0.0019 0.0038 0.0114 746 LYS 99 CB 0.0027 0.0049 0.0126 747 LYS 99 CG 0.0029 0.0052 0.0125 748 LYS 99 CD 0.0037 0.0062 0.0126 749 LYS 99 CE 0.0037 0.0066 0.0150 750 LYS 99 NZ 0.0050 0.0082 0.0143 751 LEU 100 N 0.0029 0.0042 0.0121 752 LEU 100 CA 0.0026 0.0040 0.0120 753 LEU 100 C 0.0021 0.0037 0.0111 754 LEU 100 O 0.0023 0.0038 0.0105 755 LEU 100 CB 0.0021 0.0039 0.0129 756 LEU 100 CG 0.0025 0.0041 0.0139 757 LEU 100 CD1 0.0018 0.0039 0.0148 758 LEU 100 CD2 0.0033 0.0045 0.0139 759 LEU 101 N 0.0015 0.0034 0.0108 760 LEU 101 CA 0.0010 0.0032 0.0099 761 LEU 101 C 0.0016 0.0034 0.0090 762 LEU 101 O 0.0017 0.0033 0.0082 763 LEU 101 CB 0.0003 0.0029 0.0099 764 LEU 101 CG -0.0003 0.0026 0.0089 765 LEU 101 CD1 -0.0007 0.0024 0.0085 766 LEU 101 CD2 -0.0011 0.0022 0.0090 767 SER 102 N 0.0024 0.0037 0.0091 768 SER 102 CA 0.0031 0.0039 0.0083 769 SER 102 C 0.0036 0.0041 0.0080 770 SER 102 O 0.0038 0.0041 0.0071 771 SER 102 CB 0.0037 0.0042 0.0087 772 SER 102 OG 0.0033 0.0040 0.0087 773 HIS 103 N 0.0050 0.0032 0.0072 774 HIS 103 CA 0.0052 0.0030 0.0068 775 HIS 103 C 0.0049 0.0030 0.0062 776 HIS 103 O 0.0051 0.0029 0.0057 777 HIS 103 CB 0.0054 0.0030 0.0069 778 HIS 103 CG 0.0055 0.0028 0.0065 779 HIS 103 ND1 0.0052 0.0029 0.0062 780 HIS 103 CD2 0.0060 0.0025 0.0062 781 HIS 103 CE1 0.0055 0.0027 0.0058 782 HIS 103 NE2 0.0060 0.0024 0.0058 783 CYS 104 N 0.0044 0.0033 0.0063 784 CYS 104 CA 0.0040 0.0034 0.0057 785 CYS 104 C 0.0039 0.0034 0.0055 786 CYS 104 O 0.0038 0.0033 0.0050 787 CYS 104 CB 0.0035 0.0037 0.0058 788 CYS 104 SG 0.0035 0.0037 0.0060 789 LEU 105 N 0.0040 0.0034 0.0058 790 LEU 105 CA 0.0040 0.0033 0.0055 791 LEU 105 C 0.0045 0.0030 0.0052 792 LEU 105 O 0.0045 0.0029 0.0048 793 LEU 105 CB 0.0039 0.0035 0.0061 794 LEU 105 CG 0.0035 0.0038 0.0062 795 LEU 105 CD1 0.0035 0.0039 0.0068 796 LEU 105 CD2 0.0032 0.0038 0.0058 797 LEU 106 N 0.0055 0.0027 0.0028 798 LEU 106 CA 0.0054 0.0027 0.0029 799 LEU 106 C 0.0052 0.0026 0.0030 800 LEU 106 O 0.0052 0.0023 0.0031 801 LEU 106 CB 0.0055 0.0031 0.0028 802 LEU 106 CG 0.0056 0.0033 0.0027 803 LEU 106 CD1 0.0056 0.0036 0.0027 804 LEU 106 CD2 0.0060 0.0031 0.0025 805 VAL 107 N 0.0049 0.0026 0.0032 806 VAL 107 CA 0.0046 0.0024 0.0034 807 VAL 107 C 0.0046 0.0020 0.0034 808 VAL 107 O 0.0045 0.0018 0.0035 809 VAL 107 CB 0.0043 0.0026 0.0036 810 VAL 107 CG1 0.0040 0.0024 0.0037 811 VAL 107 CG2 0.0042 0.0030 0.0036 812 THR 108 N 0.0048 0.0019 0.0033 813 THR 108 CA 0.0048 0.0015 0.0034 814 THR 108 C 0.0050 0.0013 0.0033 815 THR 108 O 0.0049 0.0010 0.0033 816 THR 108 CB 0.0050 0.0014 0.0033 817 THR 108 OG1 0.0048 0.0016 0.0034 818 THR 108 CG2 0.0050 0.0010 0.0033 819 LEU 109 N 0.0054 0.0027 0.0028 820 LEU 109 CA 0.0058 0.0022 0.0029 821 LEU 109 C 0.0059 0.0016 0.0024 822 LEU 109 O 0.0059 0.0013 0.0022 823 LEU 109 CB 0.0062 0.0023 0.0034 824 LEU 109 CG 0.0062 0.0028 0.0038 825 LEU 109 CD1 0.0065 0.0029 0.0043 826 LEU 109 CD2 0.0059 0.0030 0.0037 827 ALA 110 N 0.0059 0.0016 0.0024 828 ALA 110 CA 0.0060 0.0011 0.0021 829 ALA 110 C 0.0057 0.0009 0.0015 830 ALA 110 O 0.0057 0.0005 0.0012 831 ALA 110 CB 0.0060 0.0011 0.0021 832 ALA 111 N 0.0052 0.0013 0.0013 833 ALA 111 CA 0.0048 0.0013 0.0008 834 ALA 111 C 0.0048 0.0011 0.0006 835 ALA 111 O 0.0045 0.0010 0.0002 836 ALA 111 CB 0.0043 0.0017 0.0006 837 HIS 112 N 0.0056 0.0031 0.0032 838 HIS 112 CA 0.0055 0.0030 0.0030 839 HIS 112 C 0.0055 0.0031 0.0029 840 HIS 112 O 0.0055 0.0031 0.0028 841 HIS 112 CB 0.0054 0.0029 0.0030 842 HIS 112 CG 0.0054 0.0028 0.0031 843 HIS 112 ND1 0.0054 0.0027 0.0031 844 HIS 112 CD2 0.0054 0.0027 0.0032 845 HIS 112 CE1 0.0053 0.0026 0.0033 846 HIS 112 NE2 0.0053 0.0026 0.0034 847 LEU 113 N 0.0056 0.0032 0.0028 848 LEU 113 CA 0.0056 0.0033 0.0027 849 LEU 113 C 0.0057 0.0035 0.0027 850 LEU 113 O 0.0057 0.0036 0.0027 851 LEU 113 CB 0.0056 0.0033 0.0026 852 LEU 113 CG 0.0055 0.0032 0.0025 853 LEU 113 CD1 0.0055 0.0032 0.0024 854 LEU 113 CD2 0.0054 0.0031 0.0024 855 PRO 114 N 0.0057 0.0035 0.0028 856 PRO 114 CA 0.0058 0.0037 0.0028 857 PRO 114 C 0.0058 0.0038 0.0027 858 PRO 114 O 0.0059 0.0039 0.0027 859 PRO 114 CB 0.0058 0.0037 0.0029 860 PRO 114 CG 0.0057 0.0036 0.0028 861 PRO 114 CD 0.0057 0.0035 0.0028 862 ALA 115 N 0.0056 0.0058 0.0021 863 ALA 115 CA 0.0050 0.0059 0.0023 864 ALA 115 C 0.0046 0.0056 0.0022 865 ALA 115 O 0.0043 0.0055 0.0022 866 ALA 115 CB 0.0050 0.0063 0.0026 867 GLU 116 N 0.0047 0.0054 0.0020 868 GLU 116 CA 0.0043 0.0051 0.0019 869 GLU 116 C 0.0043 0.0047 0.0016 870 GLU 116 O 0.0040 0.0044 0.0015 871 GLU 116 CB 0.0045 0.0052 0.0019 872 GLU 116 CG 0.0044 0.0056 0.0022 873 GLU 116 CD 0.0048 0.0058 0.0023 874 GLU 116 OE1 0.0053 0.0058 0.0022 875 GLU 116 OE2 0.0049 0.0062 0.0026 876 PHE 117 N 0.0047 0.0045 0.0015 877 PHE 117 CA 0.0047 0.0041 0.0012 878 PHE 117 C 0.0045 0.0039 0.0011 879 PHE 117 O 0.0047 0.0038 0.0010 880 PHE 117 CB 0.0053 0.0040 0.0010 881 PHE 117 CG 0.0054 0.0035 0.0007 882 PHE 117 CD1 0.0053 0.0034 0.0006 883 PHE 117 CD2 0.0055 0.0033 0.0005 884 PHE 117 CE1 0.0054 0.0030 0.0003 885 PHE 117 CE2 0.0055 0.0029 0.0002 886 PHE 117 CZ 0.0055 0.0027 0.0001 887 THR 118 N 0.0038 0.0071 -0.0014 888 THR 118 CA 0.0034 0.0074 -0.0014 889 THR 118 C 0.0034 0.0069 -0.0018 890 THR 118 O 0.0034 0.0065 -0.0021 891 THR 118 CB 0.0029 0.0077 -0.0015 892 THR 118 OG1 0.0025 0.0074 -0.0019 893 THR 118 CG2 0.0029 0.0083 -0.0011 894 PRO 119 N 0.0030 0.0070 -0.0019 895 PRO 119 CA 0.0029 0.0066 -0.0022 896 PRO 119 C 0.0025 0.0063 -0.0027 897 PRO 119 O 0.0026 0.0058 -0.0030 898 PRO 119 CB 0.0026 0.0069 -0.0022 899 PRO 119 CG 0.0029 0.0074 -0.0017 900 PRO 119 CD 0.0030 0.0076 -0.0015 901 ALA 120 N 0.0020 0.0066 -0.0027 902 ALA 120 CA 0.0016 0.0064 -0.0030 903 ALA 120 C 0.0019 0.0060 -0.0032 904 ALA 120 O 0.0019 0.0055 -0.0036 905 ALA 120 CB 0.0010 0.0068 -0.0031 906 VAL 121 N 0.0022 0.0070 -0.0011 907 VAL 121 CA 0.0024 0.0070 -0.0011 908 VAL 121 C 0.0030 0.0063 -0.0014 909 VAL 121 O 0.0029 0.0060 -0.0014 910 VAL 121 CB 0.0027 0.0079 -0.0009 911 VAL 121 CG1 0.0030 0.0079 -0.0009 912 VAL 121 CG2 0.0020 0.0085 -0.0006 913 HIS 122 N 0.0036 0.0062 -0.0015 914 HIS 122 CA 0.0043 0.0055 -0.0018 915 HIS 122 C 0.0036 0.0048 -0.0019 916 HIS 122 O 0.0039 0.0043 -0.0021 917 HIS 122 CB 0.0048 0.0057 -0.0018 918 HIS 122 CG 0.0054 0.0050 -0.0021 919 HIS 122 ND1 0.0061 0.0051 -0.0021 920 HIS 122 CD2 0.0056 0.0044 -0.0023 921 HIS 122 CE1 0.0066 0.0044 -0.0024 922 HIS 122 NE2 0.0064 0.0040 -0.0025 923 ALA 123 N 0.0031 0.0046 -0.0019 924 ALA 123 CA 0.0026 0.0039 -0.0020 925 ALA 123 C 0.0021 0.0038 -0.0020 926 ALA 123 O 0.0021 0.0031 -0.0022 927 ALA 123 CB 0.0020 0.0038 -0.0019 928 SER 124 N 0.0014 0.0074 -0.0005 929 SER 124 CA 0.0012 0.0071 -0.0008 930 SER 124 C 0.0019 0.0067 -0.0008 931 SER 124 O 0.0018 0.0062 -0.0012 932 SER 124 CB 0.0009 0.0076 -0.0006 933 SER 124 OG 0.0002 0.0080 -0.0007 934 LEU 125 N 0.0024 0.0069 -0.0004 935 LEU 125 CA 0.0030 0.0064 -0.0004 936 LEU 125 C 0.0033 0.0059 -0.0007 937 LEU 125 O 0.0035 0.0053 -0.0010 938 LEU 125 CB 0.0036 0.0068 0.0001 939 LEU 125 CG 0.0036 0.0073 0.0005 940 LEU 125 CD1 0.0041 0.0076 0.0010 941 LEU 125 CD2 0.0037 0.0070 0.0003 942 ASP 126 N 0.0033 0.0058 -0.0008 943 ASP 126 CA 0.0034 0.0053 -0.0011 944 ASP 126 C 0.0030 0.0048 -0.0016 945 ASP 126 O 0.0032 0.0042 -0.0019 946 ASP 126 CB 0.0034 0.0054 -0.0010 947 ASP 126 CG 0.0038 0.0049 -0.0012 948 ASP 126 OD1 0.0043 0.0045 -0.0012 949 ASP 126 OD2 0.0035 0.0047 -0.0015 950 LYS 127 N 0.0018 0.0050 -0.0005 951 LYS 127 CA 0.0012 0.0046 -0.0006 952 LYS 127 C 0.0011 0.0046 -0.0006 953 LYS 127 O 0.0009 0.0039 -0.0008 954 LYS 127 CB 0.0005 0.0048 -0.0006 955 LYS 127 CG 0.0001 0.0047 -0.0007 956 LYS 127 CD -0.0004 0.0049 -0.0006 957 LYS 127 CE -0.0011 0.0047 -0.0008 958 LYS 127 NZ -0.0019 0.0049 -0.0007 959 PHE 128 N 0.0011 0.0051 -0.0005 960 PHE 128 CA 0.0010 0.0051 -0.0005 961 PHE 128 C 0.0016 0.0047 -0.0006 962 PHE 128 O 0.0014 0.0042 -0.0007 963 PHE 128 CB 0.0010 0.0060 -0.0002 964 PHE 128 CG 0.0011 0.0060 -0.0002 965 PHE 128 CD1 0.0003 0.0058 -0.0003 966 PHE 128 CD2 0.0017 0.0062 -0.0001 967 PHE 128 CE1 0.0005 0.0059 -0.0003 968 PHE 128 CE2 0.0019 0.0064 -0.0001 969 PHE 128 CZ 0.0011 0.0062 -0.0002 970 LEU 129 N 0.0023 0.0047 -0.0005 971 LEU 129 CA 0.0029 0.0042 -0.0006 972 LEU 129 C 0.0029 0.0034 -0.0008 973 LEU 129 O 0.0030 0.0029 -0.0010 974 LEU 129 CB 0.0037 0.0045 -0.0005 975 LEU 129 CG 0.0040 0.0053 -0.0002 976 LEU 129 CD1 0.0047 0.0056 -0.0001 977 LEU 129 CD2 0.0040 0.0052 -0.0002 978 ALA 130 N 0.0022 0.0050 0.0003 979 ALA 130 CA 0.0021 0.0050 0.0001 980 ALA 130 C 0.0018 0.0043 -0.0011 981 ALA 130 O 0.0018 0.0036 -0.0013 982 ALA 130 CB 0.0021 0.0062 0.0001 983 SER 131 N 0.0015 0.0046 -0.0020 984 SER 131 CA 0.0012 0.0040 -0.0030 985 SER 131 C 0.0013 0.0027 -0.0030 986 SER 131 O 0.0011 0.0020 -0.0036 987 SER 131 CB 0.0009 0.0047 -0.0039 988 SER 131 OG 0.0008 0.0057 -0.0040 989 VAL 132 N 0.0014 0.0025 -0.0024 990 VAL 132 CA 0.0015 0.0012 -0.0024 991 VAL 132 C 0.0017 0.0007 -0.0018 992 VAL 132 O 0.0016 -0.0004 -0.0023 993 VAL 132 CB 0.0017 0.0011 -0.0017 994 VAL 132 CG1 0.0019 -0.0001 -0.0014 995 VAL 132 CG2 0.0015 0.0016 -0.0023 996 SER 133 N 0.0009 0.0010 0.0007 997 SER 133 CA 0.0007 0.0008 0.0024 998 SER 133 C 0.0010 0.0015 0.0013 999 SER 133 O 0.0006 0.0001 0.0018 1000 SER 133 CB 0.0009 0.0023 0.0043 1001 SER 133 OG 0.0006 0.0016 0.0055 1002 THR 134 N 0.0014 0.0030 -0.0001 1003 THR 134 CA 0.0016 0.0033 -0.0010 1004 THR 134 C 0.0014 0.0018 -0.0026 1005 THR 134 O 0.0013 0.0012 -0.0028 1006 THR 134 CB 0.0022 0.0056 -0.0021 1007 THR 134 OG1 0.0024 0.0072 -0.0010 1008 THR 134 CG2 0.0025 0.0062 -0.0038 1009 VAL 135 N 0.0013 0.0006 -0.0040 1010 VAL 135 CA 0.0011 -0.0010 -0.0057 1011 VAL 135 C 0.0005 -0.0031 -0.0042 1012 VAL 135 O 0.0003 -0.0041 -0.0048 1013 VAL 135 CB 0.0011 -0.0016 -0.0073 1014 VAL 135 CG1 0.0007 -0.0039 -0.0084 1015 VAL 135 CG2 0.0016 0.0002 -0.0087 1016 LEU 136 N 0.0006 -0.0036 -0.0016 1017 LEU 136 CA 0.0003 -0.0055 -0.0003 1018 LEU 136 C 0.0002 -0.0054 0.0005 1019 LEU 136 O -0.0000 -0.0072 0.0012 1020 LEU 136 CB 0.0001 -0.0061 0.0014 1021 LEU 136 CG -0.0000 -0.0075 0.0008 1022 LEU 136 CD1 -0.0002 -0.0074 0.0027 1023 LEU 136 CD2 -0.0001 -0.0090 -0.0011 1024 THR 137 N 0.0004 -0.0034 0.0008 1025 THR 137 CA 0.0004 -0.0029 0.0020 1026 THR 137 C 0.0006 -0.0023 0.0001 1027 THR 137 O 0.0006 -0.0019 0.0006 1028 THR 137 CB 0.0006 -0.0001 0.0034 1029 THR 137 OG1 0.0002 -0.0019 0.0054 1030 THR 137 CG2 0.0007 0.0007 0.0029 1031 SER 138 N 0.0008 -0.0024 -0.0019 1032 SER 138 CA 0.0010 -0.0018 -0.0038 1033 SER 138 C 0.0009 -0.0029 -0.0045 1034 SER 138 O 0.0011 -0.0018 -0.0049 1035 SER 138 CB 0.0011 -0.0027 -0.0068 1036 SER 138 OG 0.0013 -0.0007 -0.0060 1037 LYS 139 N 0.0006 -0.0049 -0.0026 1038 LYS 139 CA 0.0005 -0.0062 -0.0033 1039 LYS 139 C 0.0002 -0.0063 -0.0015 1040 LYS 139 O 0.0001 -0.0075 -0.0015 1041 LYS 139 CB 0.0005 -0.0080 -0.0042 1042 LYS 139 CG 0.0008 -0.0077 -0.0059 1043 LYS 139 CD 0.0008 -0.0097 -0.0066 1044 LYS 139 CE 0.0011 -0.0095 -0.0085 1045 LYS 139 NZ 0.0009 -0.0120 -0.0087 1046 TYR 140 N 0.0000 -0.0054 0.0002 1047 TYR 140 CA -0.0003 -0.0055 0.0018 1048 TYR 140 C -0.0002 -0.0050 0.0018 1049 TYR 140 O -0.0005 -0.0061 0.0027 1050 TYR 140 CB -0.0005 -0.0044 0.0037 1051 TYR 140 CG -0.0008 -0.0055 0.0047 1052 TYR 140 CD1 -0.0012 -0.0055 0.0068 1053 TYR 140 CD2 -0.0008 -0.0066 0.0039 1054 TYR 140 CE1 -0.0015 -0.0065 0.0077 1055 TYR 140 CE2 -0.0011 -0.0074 0.0050 1056 TYR 140 CZ -0.0014 -0.0073 0.0071 1057 TYR 140 OH -0.0017 -0.0081 0.0079 1058 ARG 141 N 0.0001 -0.0039 0.0006 1059 ARG 141 CA 0.0002 -0.0031 0.0003 1060 ARG 141 C 0.0007 -0.0024 -0.0019 1061 ARG 141 O 0.0009 -0.0017 -0.0025 1062 ARG 141 CB 0.0000 -0.0023 0.0020 1063 ARG 141 CG 0.0002 0.0001 0.0022 1064 ARG 141 CD 0.0000 0.0010 0.0038 1065 ARG 141 NE 0.0002 0.0025 0.0039 1066 ARG 141 CZ 0.0002 0.0041 0.0050 1067 ARG 141 NH1 -0.0001 0.0042 0.0063 1068 ARG 141 NH2 0.0003 0.0057 0.0050 1069 ARG 141 OXT 0.0007 -0.0022 -0.0020 1070 VAL 1 N -0.0148 0.0056 0.0211 1071 VAL 1 CA -0.0174 0.0075 0.0227 1072 VAL 1 C -0.0228 0.0075 0.0201 1073 VAL 1 O -0.0231 0.0077 0.0202 1074 VAL 1 CB -0.0160 0.0066 0.0220 1075 VAL 1 CG1 -0.0154 0.0094 0.0267 1076 VAL 1 CG2 -0.0150 0.0045 0.0193 1077 HIS 2 N -0.0234 0.0085 0.0213 1078 HIS 2 CA -0.0270 0.0080 0.0188 1079 HIS 2 C -0.0284 0.0069 0.0165 1080 HIS 2 O -0.0292 0.0078 0.0174 1081 HIS 2 CB -0.0302 0.0108 0.0216 1082 HIS 2 CG -0.0323 0.0113 0.0212 1083 HIS 2 ND1 -0.0336 0.0117 0.0212 1084 HIS 2 CD2 -0.0361 0.0110 0.0189 1085 HIS 2 CE1 -0.0389 0.0115 0.0184 1086 HIS 2 NE2 -0.0401 0.0104 0.0162 1087 LEU 3 N -0.0282 0.0052 0.0140 1088 LEU 3 CA -0.0300 0.0040 0.0113 1089 LEU 3 C -0.0334 0.0034 0.0087 1090 LEU 3 O -0.0340 0.0036 0.0087 1091 LEU 3 CB -0.0263 0.0014 0.0091 1092 LEU 3 CG -0.0225 0.0013 0.0108 1093 LEU 3 CD1 -0.0203 -0.0008 0.0087 1094 LEU 3 CD2 -0.0233 0.0011 0.0100 1095 THR 4 N -0.0362 0.0033 0.0143 1096 THR 4 CA -0.0400 0.0009 0.0143 1097 THR 4 C -0.0398 -0.0006 0.0129 1098 THR 4 O -0.0365 -0.0012 0.0105 1099 THR 4 CB -0.0415 -0.0013 0.0132 1100 THR 4 OG1 -0.0397 -0.0042 0.0097 1101 THR 4 CG2 -0.0419 -0.0004 0.0143 1102 PRO 5 N -0.0433 -0.0030 0.0127 1103 PRO 5 CA -0.0439 -0.0043 0.0120 1104 PRO 5 C -0.0412 -0.0075 0.0077 1105 PRO 5 O -0.0392 -0.0081 0.0060 1106 PRO 5 CB -0.0474 -0.0059 0.0125 1107 PRO 5 CG -0.0496 -0.0038 0.0157 1108 PRO 5 CD -0.0480 -0.0017 0.0166 1109 GLU 6 N -0.0425 -0.0089 0.0071 1110 GLU 6 CA -0.0418 -0.0122 0.0039 1111 GLU 6 C -0.0363 -0.0107 0.0021 1112 GLU 6 O -0.0342 -0.0132 -0.0014 1113 GLU 6 CB -0.0433 -0.0141 0.0030 1114 GLU 6 CG -0.0441 -0.0134 0.0041 1115 GLU 6 CD -0.0489 -0.0112 0.0088 1116 GLU 6 OE1 -0.0510 -0.0125 0.0088 1117 GLU 6 OE2 -0.0489 -0.0087 0.0110 1118 GLU 7 N -0.0306 -0.0047 0.0038 1119 GLU 7 CA -0.0270 -0.0036 0.0045 1120 GLU 7 C -0.0254 -0.0044 0.0035 1121 GLU 7 O -0.0229 -0.0054 0.0022 1122 GLU 7 CB -0.0268 -0.0021 0.0059 1123 GLU 7 CG -0.0278 -0.0015 0.0066 1124 GLU 7 CD -0.0266 0.0007 0.0086 1125 GLU 7 OE1 -0.0258 0.0008 0.0086 1126 GLU 7 OE2 -0.0272 0.0027 0.0106 1127 LYS 8 N -0.0261 -0.0033 0.0046 1128 LYS 8 CA -0.0247 -0.0036 0.0042 1129 LYS 8 C -0.0247 -0.0061 0.0018 1130 LYS 8 O -0.0220 -0.0073 0.0003 1131 LYS 8 CB -0.0267 -0.0020 0.0060 1132 LYS 8 CG -0.0261 -0.0026 0.0054 1133 LYS 8 CD -0.0268 -0.0020 0.0060 1134 LYS 8 CE -0.0256 -0.0030 0.0049 1135 LYS 8 NZ -0.0289 -0.0030 0.0052 1136 SER 9 N -0.0271 -0.0077 0.0005 1137 SER 9 CA -0.0273 -0.0096 -0.0013 1138 SER 9 C -0.0248 -0.0117 -0.0036 1139 SER 9 O -0.0233 -0.0131 -0.0051 1140 SER 9 CB -0.0311 -0.0112 -0.0024 1141 SER 9 OG -0.0307 -0.0122 -0.0034 1142 ALA 10 N -0.0233 -0.0106 -0.0017 1143 ALA 10 CA -0.0218 -0.0116 -0.0034 1144 ALA 10 C -0.0178 -0.0106 -0.0035 1145 ALA 10 O -0.0160 -0.0119 -0.0056 1146 ALA 10 CB -0.0222 -0.0111 -0.0026 1147 VAL 11 N -0.0169 -0.0086 -0.0013 1148 VAL 11 CA -0.0136 -0.0076 -0.0011 1149 VAL 11 C -0.0125 -0.0087 -0.0028 1150 VAL 11 O -0.0100 -0.0093 -0.0042 1151 VAL 11 CB -0.0135 -0.0056 0.0014 1152 VAL 11 CG1 -0.0104 -0.0044 0.0019 1153 VAL 11 CG2 -0.0136 -0.0046 0.0027 1154 THR 12 N -0.0143 -0.0086 -0.0021 1155 THR 12 CA -0.0136 -0.0092 -0.0030 1156 THR 12 C -0.0133 -0.0113 -0.0058 1157 THR 12 O -0.0113 -0.0121 -0.0074 1158 THR 12 CB -0.0161 -0.0088 -0.0018 1159 THR 12 OG1 -0.0154 -0.0070 0.0003 1160 THR 12 CG2 -0.0168 -0.0097 -0.0026 1161 ALA 13 N -0.0163 -0.0079 -0.0059 1162 ALA 13 CA -0.0160 -0.0099 -0.0074 1163 ALA 13 C -0.0137 -0.0110 -0.0080 1164 ALA 13 O -0.0124 -0.0125 -0.0090 1165 ALA 13 CB -0.0183 -0.0101 -0.0079 1166 LEU 14 N -0.0122 -0.0097 -0.0068 1167 LEU 14 CA -0.0094 -0.0105 -0.0071 1168 LEU 14 C -0.0075 -0.0108 -0.0070 1169 LEU 14 O -0.0055 -0.0119 -0.0076 1170 LEU 14 CB -0.0088 -0.0087 -0.0057 1171 LEU 14 CG -0.0066 -0.0095 -0.0060 1172 LEU 14 CD1 -0.0069 -0.0114 -0.0074 1173 LEU 14 CD2 -0.0052 -0.0075 -0.0043 1174 TRP 15 N -0.0077 -0.0089 -0.0057 1175 TRP 15 CA -0.0056 -0.0089 -0.0054 1176 TRP 15 C -0.0056 -0.0110 -0.0070 1177 TRP 15 O -0.0033 -0.0115 -0.0071 1178 TRP 15 CB -0.0060 -0.0068 -0.0039 1179 TRP 15 CG -0.0034 -0.0065 -0.0033 1180 TRP 15 CD1 -0.0030 -0.0067 -0.0034 1181 TRP 15 CD2 -0.0012 -0.0056 -0.0023 1182 TRP 15 NE1 -0.0006 -0.0061 -0.0027 1183 TRP 15 CE2 0.0009 -0.0055 -0.0020 1184 TRP 15 CE3 -0.0003 -0.0050 -0.0018 1185 TRP 15 CZ2 0.0035 -0.0046 -0.0011 1186 TRP 15 CZ3 0.0024 -0.0042 -0.0009 1187 TRP 15 CH2 0.0039 -0.0040 -0.0005 1188 GLY 16 N -0.0084 -0.0086 -0.0062 1189 GLY 16 CA -0.0082 -0.0100 -0.0077 1190 GLY 16 C -0.0068 -0.0114 -0.0095 1191 GLY 16 O -0.0058 -0.0123 -0.0107 1192 LYS 17 N -0.0063 -0.0116 -0.0099 1193 LYS 17 CA -0.0050 -0.0129 -0.0116 1194 LYS 17 C -0.0024 -0.0121 -0.0114 1195 LYS 17 O -0.0006 -0.0132 -0.0131 1196 LYS 17 CB -0.0058 -0.0138 -0.0124 1197 LYS 17 CG -0.0090 -0.0147 -0.0125 1198 LYS 17 CD -0.0102 -0.0156 -0.0132 1199 LYS 17 CE -0.0134 -0.0164 -0.0132 1200 LYS 17 NZ -0.0130 -0.0176 -0.0146 1201 VAL 18 N -0.0011 -0.0105 -0.0100 1202 VAL 18 CA 0.0014 -0.0094 -0.0096 1203 VAL 18 C 0.0034 -0.0096 -0.0102 1204 VAL 18 O 0.0032 -0.0091 -0.0097 1205 VAL 18 CB 0.0013 -0.0074 -0.0074 1206 VAL 18 CG1 0.0039 -0.0064 -0.0070 1207 VAL 18 CG2 0.0000 -0.0076 -0.0073 1208 ASN 19 N 0.0051 -0.0061 -0.0125 1209 ASN 19 CA 0.0074 -0.0054 -0.0128 1210 ASN 19 C 0.0087 -0.0042 -0.0110 1211 ASN 19 O 0.0092 -0.0041 -0.0113 1212 ASN 19 CB 0.0088 -0.0059 -0.0152 1213 ASN 19 CG 0.0113 -0.0050 -0.0153 1214 ASN 19 OD1 0.0123 -0.0041 -0.0141 1215 ASN 19 ND2 0.0118 -0.0059 -0.0177 1216 VAL 20 N 0.0090 -0.0034 -0.0095 1217 VAL 20 CA 0.0098 -0.0022 -0.0073 1218 VAL 20 C 0.0117 -0.0017 -0.0078 1219 VAL 20 O 0.0125 -0.0012 -0.0073 1220 VAL 20 CB 0.0096 -0.0016 -0.0056 1221 VAL 20 CG1 0.0105 -0.0004 -0.0036 1222 VAL 20 CG2 0.0071 -0.0022 -0.0048 1223 ASP 21 N 0.0135 -0.0017 -0.0093 1224 ASP 21 CA 0.0158 -0.0010 -0.0099 1225 ASP 21 C 0.0156 -0.0017 -0.0113 1226 ASP 21 O 0.0165 -0.0011 -0.0106 1227 ASP 21 CB 0.0171 -0.0012 -0.0113 1228 ASP 21 CG 0.0182 -0.0002 -0.0099 1229 ASP 21 OD1 0.0180 0.0006 -0.0079 1230 ASP 21 OD2 0.0200 -0.0002 -0.0115 1231 GLU 22 N 0.0132 -0.0017 -0.0085 1232 GLU 22 CA 0.0133 -0.0022 -0.0096 1233 GLU 22 C 0.0126 -0.0020 -0.0086 1234 GLU 22 O 0.0133 -0.0017 -0.0086 1235 GLU 22 CB 0.0123 -0.0031 -0.0107 1236 GLU 22 CG 0.0120 -0.0036 -0.0114 1237 GLU 22 CD 0.0108 -0.0048 -0.0127 1238 GLU 22 OE1 0.0093 -0.0051 -0.0121 1239 GLU 22 OE2 0.0113 -0.0052 -0.0139 1240 VAL 23 N 0.0112 -0.0021 -0.0077 1241 VAL 23 CA 0.0103 -0.0020 -0.0068 1242 VAL 23 C 0.0114 -0.0009 -0.0055 1243 VAL 23 O 0.0113 -0.0007 -0.0051 1244 VAL 23 CB 0.0086 -0.0022 -0.0060 1245 VAL 23 CG1 0.0080 -0.0019 -0.0048 1246 VAL 23 CG2 0.0080 -0.0033 -0.0075 1247 GLY 24 N 0.0121 -0.0003 -0.0050 1248 GLY 24 CA 0.0131 0.0006 -0.0040 1249 GLY 24 C 0.0144 0.0009 -0.0044 1250 GLY 24 O 0.0148 0.0013 -0.0039 1251 GLY 25 N 0.0144 0.0028 -0.0038 1252 GLY 25 CA 0.0139 0.0031 -0.0042 1253 GLY 25 C 0.0128 0.0028 -0.0044 1254 GLY 25 O 0.0123 0.0025 -0.0044 1255 GLU 26 N 0.0125 0.0028 -0.0046 1256 GLU 26 CA 0.0115 0.0026 -0.0048 1257 GLU 26 C 0.0112 0.0017 -0.0042 1258 GLU 26 O 0.0104 0.0014 -0.0043 1259 GLU 26 CB 0.0114 0.0028 -0.0051 1260 GLU 26 CG 0.0103 0.0030 -0.0056 1261 GLU 26 CD 0.0094 0.0032 -0.0061 1262 GLU 26 OE1 0.0091 0.0026 -0.0058 1263 GLU 26 OE2 0.0107 0.0035 -0.0059 1264 ALA 27 N 0.0118 0.0013 -0.0037 1265 ALA 27 CA 0.0114 0.0004 -0.0032 1266 ALA 27 C 0.0114 0.0001 -0.0029 1267 ALA 27 O 0.0108 -0.0004 -0.0027 1268 ALA 27 CB 0.0120 0.0002 -0.0027 1269 LEU 28 N 0.0108 -0.0001 -0.0043 1270 LEU 28 CA 0.0100 -0.0006 -0.0046 1271 LEU 28 C 0.0085 -0.0004 -0.0048 1272 LEU 28 O 0.0074 -0.0013 -0.0051 1273 LEU 28 CB 0.0105 -0.0006 -0.0045 1274 LEU 28 CG 0.0096 -0.0019 -0.0048 1275 LEU 28 CD1 0.0102 -0.0033 -0.0049 1276 LEU 28 CD2 0.0101 -0.0013 -0.0046 1277 GLY 29 N 0.0080 0.0011 -0.0046 1278 GLY 29 CA 0.0065 0.0014 -0.0048 1279 GLY 29 C 0.0059 0.0008 -0.0050 1280 GLY 29 O 0.0047 0.0002 -0.0053 1281 ARG 30 N 0.0067 0.0008 -0.0049 1282 ARG 30 CA 0.0060 0.0002 -0.0051 1283 ARG 30 C 0.0060 -0.0016 -0.0054 1284 ARG 30 O 0.0049 -0.0021 -0.0056 1285 ARG 30 CB 0.0070 0.0006 -0.0049 1286 ARG 30 CG 0.0066 0.0021 -0.0047 1287 ARG 30 CD 0.0077 0.0023 -0.0045 1288 ARG 30 NE 0.0077 0.0038 -0.0043 1289 ARG 30 CZ 0.0071 0.0045 -0.0043 1290 ARG 30 NH1 0.0063 0.0036 -0.0045 1291 ARG 30 NH2 0.0069 0.0059 -0.0041 1292 LEU 31 N 0.0052 -0.0016 -0.0067 1293 LEU 31 CA 0.0050 -0.0031 -0.0069 1294 LEU 31 C 0.0035 -0.0034 -0.0069 1295 LEU 31 O 0.0027 -0.0044 -0.0070 1296 LEU 31 CB 0.0062 -0.0039 -0.0071 1297 LEU 31 CG 0.0060 -0.0056 -0.0074 1298 LEU 31 CD1 0.0064 -0.0061 -0.0075 1299 LEU 31 CD2 0.0070 -0.0062 -0.0075 1300 LEU 32 N 0.0031 -0.0029 -0.0067 1301 LEU 32 CA 0.0019 -0.0034 -0.0068 1302 LEU 32 C 0.0005 -0.0029 -0.0066 1303 LEU 32 O -0.0008 -0.0034 -0.0066 1304 LEU 32 CB 0.0017 -0.0028 -0.0067 1305 LEU 32 CG 0.0025 -0.0037 -0.0069 1306 LEU 32 CD1 0.0035 -0.0046 -0.0071 1307 LEU 32 CD2 0.0027 -0.0029 -0.0067 1308 VAL 33 N 0.0006 -0.0017 -0.0064 1309 VAL 33 CA -0.0005 -0.0011 -0.0062 1310 VAL 33 C -0.0007 -0.0020 -0.0064 1311 VAL 33 O -0.0021 -0.0022 -0.0063 1312 VAL 33 CB -0.0003 0.0006 -0.0060 1313 VAL 33 CG1 -0.0014 0.0012 -0.0058 1314 VAL 33 CG2 -0.0005 0.0012 -0.0058 1315 VAL 34 N 0.0018 -0.0013 -0.0050 1316 VAL 34 CA 0.0021 -0.0010 -0.0050 1317 VAL 34 C 0.0019 -0.0022 -0.0056 1318 VAL 34 O 0.0016 -0.0021 -0.0052 1319 VAL 34 CB 0.0033 -0.0003 -0.0056 1320 VAL 34 CG1 0.0037 0.0001 -0.0057 1321 VAL 34 CG2 0.0035 0.0007 -0.0051 1322 TYR 35 N 0.0020 -0.0031 -0.0062 1323 TYR 35 CA 0.0018 -0.0043 -0.0068 1324 TYR 35 C 0.0008 -0.0053 -0.0067 1325 TYR 35 O 0.0012 -0.0060 -0.0074 1326 TYR 35 CB 0.0028 -0.0046 -0.0079 1327 TYR 35 CG 0.0037 -0.0036 -0.0080 1328 TYR 35 CD1 0.0037 -0.0032 -0.0078 1329 TYR 35 CD2 0.0047 -0.0028 -0.0083 1330 TYR 35 CE1 0.0046 -0.0023 -0.0079 1331 TYR 35 CE2 0.0053 -0.0018 -0.0083 1332 TYR 35 CZ 0.0054 -0.0016 -0.0082 1333 TYR 35 OH 0.0062 -0.0004 -0.0082 1334 PRO 36 N -0.0001 -0.0053 -0.0059 1335 PRO 36 CA -0.0010 -0.0061 -0.0056 1336 PRO 36 C -0.0012 -0.0074 -0.0062 1337 PRO 36 O -0.0016 -0.0081 -0.0063 1338 PRO 36 CB -0.0020 -0.0059 -0.0046 1339 PRO 36 CG -0.0018 -0.0051 -0.0042 1340 PRO 36 CD -0.0006 -0.0047 -0.0050 1341 TRP 37 N -0.0011 -0.0080 -0.0080 1342 TRP 37 CA -0.0014 -0.0098 -0.0090 1343 TRP 37 C -0.0006 -0.0104 -0.0104 1344 TRP 37 O -0.0009 -0.0120 -0.0112 1345 TRP 37 CB -0.0009 -0.0097 -0.0095 1346 TRP 37 CG 0.0004 -0.0085 -0.0103 1347 TRP 37 CD1 0.0016 -0.0087 -0.0121 1348 TRP 37 CD2 0.0009 -0.0067 -0.0096 1349 TRP 37 NE1 0.0026 -0.0072 -0.0122 1350 TRP 37 CE2 0.0023 -0.0059 -0.0109 1351 TRP 37 CE3 0.0003 -0.0055 -0.0079 1352 TRP 37 CZ2 0.0032 -0.0042 -0.0108 1353 TRP 37 CZ3 0.0011 -0.0040 -0.0079 1354 TRP 37 CH2 0.0024 -0.0035 -0.0091 1355 THR 38 N 0.0004 -0.0093 -0.0109 1356 THR 38 CA 0.0012 -0.0095 -0.0121 1357 THR 38 C 0.0002 -0.0108 -0.0117 1358 THR 38 O 0.0006 -0.0113 -0.0127 1359 THR 38 CB 0.0025 -0.0081 -0.0127 1360 THR 38 OG1 0.0021 -0.0069 -0.0113 1361 THR 38 CG2 0.0033 -0.0072 -0.0131 1362 GLN 39 N -0.0009 -0.0105 -0.0102 1363 GLN 39 CA -0.0021 -0.0115 -0.0093 1364 GLN 39 C -0.0026 -0.0134 -0.0101 1365 GLN 39 O -0.0032 -0.0143 -0.0100 1366 GLN 39 CB -0.0031 -0.0108 -0.0076 1367 GLN 39 CG -0.0026 -0.0090 -0.0069 1368 GLN 39 CD -0.0037 -0.0084 -0.0049 1369 GLN 39 OE1 -0.0048 -0.0097 -0.0044 1370 GLN 39 NE2 -0.0032 -0.0066 -0.0043 1371 ARG 40 N 0.0014 -0.0130 -0.0106 1372 ARG 40 CA 0.0006 -0.0140 -0.0115 1373 ARG 40 C 0.0004 -0.0144 -0.0121 1374 ARG 40 O -0.0006 -0.0152 -0.0123 1375 ARG 40 CB 0.0013 -0.0140 -0.0125 1376 ARG 40 CG 0.0020 -0.0139 -0.0136 1377 ARG 40 CD 0.0027 -0.0137 -0.0145 1378 ARG 40 NE 0.0021 -0.0144 -0.0149 1379 ARG 40 CZ 0.0016 -0.0152 -0.0161 1380 ARG 40 NH1 0.0020 -0.0152 -0.0167 1381 ARG 40 NH2 0.0010 -0.0157 -0.0162 1382 PHE 41 N 0.0008 -0.0142 -0.0123 1383 PHE 41 CA 0.0006 -0.0147 -0.0131 1384 PHE 41 C -0.0003 -0.0149 -0.0121 1385 PHE 41 O -0.0005 -0.0153 -0.0126 1386 PHE 41 CB 0.0018 -0.0141 -0.0136 1387 PHE 41 CG 0.0025 -0.0140 -0.0146 1388 PHE 41 CD1 0.0034 -0.0131 -0.0142 1389 PHE 41 CD2 0.0022 -0.0147 -0.0159 1390 PHE 41 CE1 0.0041 -0.0130 -0.0152 1391 PHE 41 CE2 0.0030 -0.0145 -0.0167 1392 PHE 41 CZ 0.0039 -0.0137 -0.0162 1393 PHE 42 N -0.0003 -0.0145 -0.0110 1394 PHE 42 CA -0.0006 -0.0142 -0.0099 1395 PHE 42 C -0.0016 -0.0145 -0.0089 1396 PHE 42 O -0.0020 -0.0143 -0.0079 1397 PHE 42 CB 0.0003 -0.0132 -0.0092 1398 PHE 42 CG 0.0012 -0.0130 -0.0101 1399 PHE 42 CD1 0.0024 -0.0122 -0.0104 1400 PHE 42 CD2 0.0014 -0.0131 -0.0108 1401 PHE 42 CE1 0.0032 -0.0120 -0.0113 1402 PHE 42 CE2 0.0023 -0.0129 -0.0117 1403 PHE 42 CZ 0.0034 -0.0122 -0.0120 1404 GLU 43 N -0.0054 -0.0167 -0.0080 1405 GLU 43 CA -0.0091 -0.0154 -0.0074 1406 GLU 43 C -0.0082 -0.0151 -0.0076 1407 GLU 43 O -0.0092 -0.0124 -0.0075 1408 GLU 43 CB -0.0105 -0.0188 -0.0071 1409 GLU 43 CG -0.0104 -0.0229 -0.0070 1410 GLU 43 CD -0.0159 -0.0271 -0.0060 1411 GLU 43 OE1 -0.0174 -0.0252 -0.0058 1412 GLU 43 OE2 -0.0130 -0.0293 -0.0065 1413 SER 44 N -0.0040 -0.0155 -0.0082 1414 SER 44 CA -0.0023 -0.0137 -0.0085 1415 SER 44 C -0.0038 -0.0096 -0.0084 1416 SER 44 O -0.0008 -0.0071 -0.0089 1417 SER 44 CB 0.0015 -0.0152 -0.0091 1418 SER 44 OG 0.0049 -0.0150 -0.0097 1419 PHE 45 N -0.0022 -0.0072 -0.0087 1420 PHE 45 CA -0.0015 -0.0031 -0.0089 1421 PHE 45 C -0.0049 -0.0009 -0.0084 1422 PHE 45 O -0.0045 0.0029 -0.0086 1423 PHE 45 CB -0.0001 -0.0029 -0.0091 1424 PHE 45 CG 0.0045 -0.0039 -0.0099 1425 PHE 45 CD1 0.0056 -0.0025 -0.0101 1426 PHE 45 CD2 0.0065 -0.0060 -0.0101 1427 PHE 45 CE1 0.0101 -0.0039 -0.0108 1428 PHE 45 CE2 0.0103 -0.0077 -0.0107 1429 PHE 45 CZ 0.0114 -0.0058 -0.0109 1430 GLY 46 N -0.0081 -0.0009 -0.0077 1431 GLY 46 CA -0.0113 0.0022 -0.0073 1432 GLY 46 C -0.0140 0.0030 -0.0072 1433 GLY 46 O -0.0147 -0.0011 -0.0080 1434 ASP 47 N -0.0146 0.0064 -0.0067 1435 ASP 47 CA -0.0185 0.0069 -0.0067 1436 ASP 47 C -0.0155 0.0073 -0.0066 1437 ASP 47 O -0.0118 0.0092 -0.0061 1438 ASP 47 CB -0.0190 0.0120 -0.0059 1439 ASP 47 CG -0.0230 0.0129 -0.0058 1440 ASP 47 OD1 -0.0240 0.0169 -0.0052 1441 ASP 47 OD2 -0.0251 0.0092 -0.0065 1442 LEU 48 N -0.0169 0.0029 -0.0073 1443 LEU 48 CA -0.0151 0.0014 -0.0075 1444 LEU 48 C -0.0190 0.0019 -0.0076 1445 LEU 48 O -0.0185 -0.0001 -0.0079 1446 LEU 48 CB -0.0124 -0.0023 -0.0081 1447 LEU 48 CG -0.0083 -0.0020 -0.0079 1448 LEU 48 CD1 -0.0060 -0.0068 -0.0087 1449 LEU 48 CD2 -0.0050 0.0008 -0.0073 1450 SER 49 N -0.0233 0.0048 -0.0087 1451 SER 49 CA -0.0274 0.0027 -0.0097 1452 SER 49 C -0.0278 0.0065 -0.0089 1453 SER 49 O -0.0301 0.0036 -0.0098 1454 SER 49 CB -0.0323 0.0051 -0.0097 1455 SER 49 OG -0.0310 0.0108 -0.0083 1456 THR 50 N -0.0252 0.0089 -0.0080 1457 THR 50 CA -0.0239 0.0107 -0.0075 1458 THR 50 C -0.0188 0.0118 -0.0066 1459 THR 50 O -0.0161 0.0118 -0.0063 1460 THR 50 CB -0.0266 0.0142 -0.0070 1461 THR 50 OG1 -0.0250 0.0187 -0.0058 1462 THR 50 CG2 -0.0326 0.0154 -0.0074 1463 PRO 51 N -0.0181 0.0131 -0.0062 1464 PRO 51 CA -0.0133 0.0133 -0.0056 1465 PRO 51 C -0.0113 0.0173 -0.0045 1466 PRO 51 O -0.0072 0.0177 -0.0039 1467 PRO 51 CB -0.0133 0.0142 -0.0054 1468 PRO 51 CG -0.0172 0.0111 -0.0066 1469 PRO 51 CD -0.0210 0.0118 -0.0069 1470 ASP 52 N -0.0155 0.0208 -0.0049 1471 ASP 52 CA -0.0140 0.0245 -0.0044 1472 ASP 52 C -0.0126 0.0231 -0.0046 1473 ASP 52 O -0.0094 0.0245 -0.0044 1474 ASP 52 CB -0.0176 0.0280 -0.0039 1475 ASP 52 CG -0.0164 0.0320 -0.0033 1476 ASP 52 OD1 -0.0138 0.0312 -0.0035 1477 ASP 52 OD2 -0.0205 0.0320 -0.0033 1478 ALA 53 N -0.0155 0.0200 -0.0050 1479 ALA 53 CA -0.0146 0.0183 -0.0053 1480 ALA 53 C -0.0101 0.0161 -0.0056 1481 ALA 53 O -0.0071 0.0157 -0.0057 1482 ALA 53 CB -0.0180 0.0156 -0.0056 1483 VAL 54 N -0.0092 0.0132 -0.0060 1484 VAL 54 CA -0.0051 0.0107 -0.0064 1485 VAL 54 C -0.0017 0.0134 -0.0060 1486 VAL 54 O 0.0022 0.0130 -0.0061 1487 VAL 54 CB -0.0056 0.0068 -0.0069 1488 VAL 54 CG1 -0.0009 0.0052 -0.0072 1489 VAL 54 CG2 -0.0095 0.0039 -0.0073 1490 MET 55 N -0.0033 0.0131 -0.0076 1491 MET 55 CA 0.0001 0.0150 -0.0068 1492 MET 55 C 0.0014 0.0182 -0.0063 1493 MET 55 O 0.0048 0.0190 -0.0056 1494 MET 55 CB -0.0004 0.0170 -0.0067 1495 MET 55 CG -0.0013 0.0140 -0.0072 1496 MET 55 SD 0.0024 0.0100 -0.0070 1497 MET 55 CE 0.0063 0.0122 -0.0061 1498 GLY 56 N -0.0016 0.0198 -0.0066 1499 GLY 56 CA -0.0004 0.0229 -0.0060 1500 GLY 56 C -0.0007 0.0214 -0.0063 1501 GLY 56 O 0.0009 0.0234 -0.0058 1502 ASN 57 N 0.0003 0.0178 -0.0065 1503 ASN 57 CA 0.0003 0.0162 -0.0067 1504 ASN 57 C 0.0043 0.0163 -0.0060 1505 ASN 57 O 0.0074 0.0146 -0.0057 1506 ASN 57 CB -0.0010 0.0122 -0.0073 1507 ASN 57 CG -0.0004 0.0101 -0.0074 1508 ASN 57 OD1 0.0021 0.0100 -0.0070 1509 ASN 57 ND2 -0.0038 0.0089 -0.0081 1510 PRO 58 N 0.0059 0.0163 -0.0090 1511 PRO 58 CA 0.0092 0.0165 -0.0086 1512 PRO 58 C 0.0113 0.0136 -0.0081 1513 PRO 58 O 0.0142 0.0137 -0.0077 1514 PRO 58 CB 0.0092 0.0192 -0.0088 1515 PRO 58 CG 0.0064 0.0192 -0.0091 1516 PRO 58 CD 0.0033 0.0183 -0.0095 1517 LYS 59 N 0.0093 0.0111 -0.0082 1518 LYS 59 CA 0.0111 0.0078 -0.0077 1519 LYS 59 C 0.0113 0.0058 -0.0075 1520 LYS 59 O 0.0141 0.0046 -0.0070 1521 LYS 59 CB 0.0093 0.0060 -0.0078 1522 LYS 59 CG 0.0103 0.0069 -0.0077 1523 LYS 59 CD 0.0083 0.0077 -0.0081 1524 LYS 59 CE 0.0110 0.0088 -0.0078 1525 LYS 59 NZ 0.0067 0.0071 -0.0082 1526 VAL 60 N 0.0092 0.0067 -0.0079 1527 VAL 60 CA 0.0092 0.0053 -0.0078 1528 VAL 60 C 0.0122 0.0064 -0.0074 1529 VAL 60 O 0.0145 0.0053 -0.0070 1530 VAL 60 CB 0.0061 0.0052 -0.0082 1531 VAL 60 CG1 0.0069 0.0051 -0.0080 1532 VAL 60 CG2 0.0034 0.0035 -0.0084 1533 LYS 61 N 0.0110 0.0088 -0.0077 1534 LYS 61 CA 0.0130 0.0101 -0.0079 1535 LYS 61 C 0.0163 0.0097 -0.0073 1536 LYS 61 O 0.0179 0.0087 -0.0067 1537 LYS 61 CB 0.0130 0.0133 -0.0091 1538 LYS 61 CG 0.0107 0.0142 -0.0098 1539 LYS 61 CD 0.0104 0.0178 -0.0113 1540 LYS 61 CE 0.0084 0.0189 -0.0120 1541 LYS 61 NZ 0.0080 0.0220 -0.0133 1542 ALA 62 N 0.0173 0.0092 -0.0069 1543 ALA 62 CA 0.0204 0.0084 -0.0062 1544 ALA 62 C 0.0207 0.0054 -0.0050 1545 ALA 62 O 0.0229 0.0049 -0.0044 1546 ALA 62 CB 0.0209 0.0084 -0.0061 1547 HIS 63 N 0.0185 0.0037 -0.0046 1548 HIS 63 CA 0.0187 0.0010 -0.0035 1549 HIS 63 C 0.0185 0.0008 -0.0035 1550 HIS 63 O 0.0206 -0.0005 -0.0027 1551 HIS 63 CB 0.0166 -0.0009 -0.0030 1552 HIS 63 CG 0.0168 -0.0038 -0.0019 1553 HIS 63 ND1 0.0201 -0.0049 -0.0010 1554 HIS 63 CD2 0.0157 -0.0058 -0.0012 1555 HIS 63 CE1 0.0196 -0.0079 0.0001 1556 HIS 63 NE2 0.0173 -0.0082 -0.0001 1557 GLY 64 N 0.0166 0.0014 -0.0039 1558 GLY 64 CA 0.0149 0.0007 -0.0039 1559 GLY 64 C 0.0160 0.0010 -0.0035 1560 GLY 64 O 0.0159 0.0003 -0.0026 1561 LYS 65 N 0.0181 0.0027 -0.0047 1562 LYS 65 CA 0.0199 0.0032 -0.0044 1563 LYS 65 C 0.0216 0.0023 -0.0020 1564 LYS 65 O 0.0221 0.0021 -0.0014 1565 LYS 65 CB 0.0220 0.0056 -0.0066 1566 LYS 65 CG 0.0229 0.0056 -0.0061 1567 LYS 65 CD 0.0254 0.0089 -0.0094 1568 LYS 65 CE 0.0277 0.0073 -0.0056 1569 LYS 65 NZ 0.0312 0.0104 -0.0079 1570 LYS 66 N 0.0225 0.0019 -0.0008 1571 LYS 66 CA 0.0240 0.0012 0.0011 1572 LYS 66 C 0.0223 -0.0011 0.0033 1573 LYS 66 O 0.0233 -0.0017 0.0049 1574 LYS 66 CB 0.0254 0.0009 0.0023 1575 LYS 66 CG 0.0270 -0.0000 0.0047 1576 LYS 66 CD 0.0285 0.0002 0.0053 1577 LYS 66 CE 0.0326 0.0012 0.0063 1578 LYS 66 NZ 0.0342 0.0006 0.0082 1579 VAL 67 N 0.0160 -0.0003 0.0025 1580 VAL 67 CA 0.0145 -0.0005 0.0035 1581 VAL 67 C 0.0131 -0.0009 0.0029 1582 VAL 67 O 0.0123 -0.0009 0.0039 1583 VAL 67 CB 0.0142 -0.0005 0.0038 1584 VAL 67 CG1 0.0125 -0.0008 0.0042 1585 VAL 67 CG2 0.0156 -0.0002 0.0044 1586 LEU 68 N 0.0128 -0.0011 0.0015 1587 LEU 68 CA 0.0114 -0.0015 0.0009 1588 LEU 68 C 0.0115 -0.0015 0.0010 1589 LEU 68 O 0.0103 -0.0017 0.0010 1590 LEU 68 CB 0.0109 -0.0018 -0.0006 1591 LEU 68 CG 0.0092 -0.0022 -0.0008 1592 LEU 68 CD1 0.0089 -0.0024 -0.0019 1593 LEU 68 CD2 0.0085 -0.0022 0.0002 1594 GLY 69 N 0.0129 -0.0012 0.0007 1595 GLY 69 CA 0.0131 -0.0011 0.0008 1596 GLY 69 C 0.0128 -0.0010 0.0025 1597 GLY 69 O 0.0120 -0.0011 0.0028 1598 ALA 70 N 0.0071 0.0013 0.0050 1599 ALA 70 CA 0.0064 0.0019 0.0063 1600 ALA 70 C 0.0050 0.0013 0.0066 1601 ALA 70 O 0.0038 0.0014 0.0076 1602 ALA 70 CB 0.0073 0.0030 0.0070 1603 PHE 71 N 0.0051 0.0007 0.0058 1604 PHE 71 CA 0.0038 0.0000 0.0060 1605 PHE 71 C 0.0025 -0.0009 0.0057 1606 PHE 71 O 0.0014 -0.0009 0.0065 1607 PHE 71 CB 0.0044 -0.0005 0.0049 1608 PHE 71 CG 0.0031 -0.0012 0.0049 1609 PHE 71 CD1 0.0029 -0.0008 0.0055 1610 PHE 71 CD2 0.0022 -0.0025 0.0041 1611 PHE 71 CE1 0.0017 -0.0015 0.0056 1612 PHE 71 CE2 0.0012 -0.0030 0.0042 1613 PHE 71 CZ 0.0009 -0.0025 0.0049 1614 SER 72 N 0.0028 -0.0013 0.0050 1615 SER 72 CA 0.0019 -0.0023 0.0045 1616 SER 72 C 0.0011 -0.0018 0.0058 1617 SER 72 O -0.0004 -0.0022 0.0062 1618 SER 72 CB 0.0027 -0.0029 0.0031 1619 SER 72 OG 0.0019 -0.0038 0.0026 1620 ASP 73 N 0.0009 -0.0010 0.0062 1621 ASP 73 CA 0.0002 -0.0003 0.0076 1622 ASP 73 C -0.0005 -0.0002 0.0085 1623 ASP 73 O -0.0017 -0.0001 0.0097 1624 ASP 73 CB 0.0017 0.0009 0.0079 1625 ASP 73 CG 0.0024 0.0004 0.0067 1626 ASP 73 OD1 0.0019 -0.0008 0.0056 1627 ASP 73 OD2 0.0034 0.0012 0.0068 1628 GLY 74 N -0.0004 0.0002 0.0089 1629 GLY 74 CA -0.0012 0.0003 0.0097 1630 GLY 74 C -0.0026 -0.0005 0.0098 1631 GLY 74 O -0.0038 -0.0008 0.0106 1632 LEU 75 N -0.0029 -0.0019 0.0084 1633 LEU 75 CA -0.0042 -0.0029 0.0082 1634 LEU 75 C -0.0053 -0.0031 0.0090 1635 LEU 75 O -0.0065 -0.0037 0.0092 1636 LEU 75 CB -0.0043 -0.0041 0.0068 1637 LEU 75 CG -0.0033 -0.0041 0.0060 1638 LEU 75 CD1 -0.0031 -0.0053 0.0044 1639 LEU 75 CD2 -0.0036 -0.0040 0.0063 1640 ALA 76 N -0.0051 -0.0018 0.0090 1641 ALA 76 CA -0.0052 -0.0018 0.0095 1642 ALA 76 C -0.0053 -0.0018 0.0107 1643 ALA 76 O -0.0055 -0.0019 0.0112 1644 ALA 76 CB -0.0043 -0.0012 0.0095 1645 HIS 77 N -0.0053 -0.0018 0.0113 1646 HIS 77 CA -0.0053 -0.0017 0.0125 1647 HIS 77 C -0.0061 -0.0022 0.0126 1648 HIS 77 O -0.0060 -0.0021 0.0133 1649 HIS 77 CB -0.0045 -0.0012 0.0127 1650 HIS 77 CG -0.0036 -0.0008 0.0124 1651 HIS 77 ND1 -0.0029 -0.0004 0.0116 1652 HIS 77 CD2 -0.0038 -0.0008 0.0133 1653 HIS 77 CE1 -0.0026 -0.0002 0.0120 1654 HIS 77 NE2 -0.0030 -0.0004 0.0128 1655 LEU 78 N -0.0069 -0.0026 0.0121 1656 LEU 78 CA -0.0076 -0.0030 0.0121 1657 LEU 78 C -0.0081 -0.0033 0.0133 1658 LEU 78 O -0.0082 -0.0033 0.0136 1659 LEU 78 CB -0.0085 -0.0036 0.0115 1660 LEU 78 CG -0.0082 -0.0035 0.0103 1661 LEU 78 CD1 -0.0088 -0.0038 0.0094 1662 LEU 78 CD2 -0.0079 -0.0033 0.0100 1663 ASP 79 N -0.0068 -0.0041 0.0112 1664 ASP 79 CA -0.0077 -0.0035 0.0120 1665 ASP 79 C -0.0068 -0.0028 0.0127 1666 ASP 79 O -0.0070 -0.0023 0.0132 1667 ASP 79 CB -0.0081 -0.0037 0.0117 1668 ASP 79 CG -0.0088 -0.0042 0.0112 1669 ASP 79 OD1 -0.0093 -0.0045 0.0110 1670 ASP 79 OD2 -0.0096 -0.0042 0.0112 1671 ASN 80 N -0.0057 -0.0029 0.0124 1672 ASN 80 CA -0.0049 -0.0022 0.0132 1673 ASN 80 C -0.0036 -0.0025 0.0128 1674 ASN 80 O -0.0030 -0.0024 0.0128 1675 ASN 80 CB -0.0051 -0.0023 0.0131 1676 ASN 80 CG -0.0045 -0.0015 0.0139 1677 ASN 80 OD1 -0.0041 -0.0010 0.0145 1678 ASN 80 ND2 -0.0039 -0.0019 0.0134 1679 LEU 81 N -0.0034 -0.0025 0.0128 1680 LEU 81 CA -0.0020 -0.0025 0.0127 1681 LEU 81 C -0.0013 -0.0019 0.0133 1682 LEU 81 O -0.0004 -0.0019 0.0132 1683 LEU 81 CB -0.0022 -0.0028 0.0124 1684 LEU 81 CG -0.0027 -0.0035 0.0117 1685 LEU 81 CD1 -0.0028 -0.0035 0.0116 1686 LEU 81 CD2 -0.0020 -0.0042 0.0109 1687 LYS 82 N -0.0006 -0.0047 0.0068 1688 LYS 82 CA -0.0019 -0.0042 0.0053 1689 LYS 82 C -0.0029 -0.0033 0.0058 1690 LYS 82 O -0.0042 -0.0024 0.0053 1691 LYS 82 CB -0.0007 -0.0053 0.0044 1692 LYS 82 CG -0.0002 -0.0061 0.0028 1693 LYS 82 CD 0.0009 -0.0072 0.0015 1694 LYS 82 CE 0.0002 -0.0068 0.0009 1695 LYS 82 NZ 0.0013 -0.0080 -0.0003 1696 GLY 83 N -0.0025 -0.0032 0.0073 1697 GLY 83 CA -0.0039 -0.0020 0.0080 1698 GLY 83 C -0.0048 -0.0011 0.0089 1699 GLY 83 O -0.0062 -0.0000 0.0088 1700 THR 84 N -0.0041 -0.0013 0.0101 1701 THR 84 CA -0.0049 -0.0004 0.0111 1702 THR 84 C -0.0063 0.0003 0.0098 1703 THR 84 O -0.0075 0.0012 0.0100 1704 THR 84 CB -0.0041 -0.0008 0.0123 1705 THR 84 OG1 -0.0030 -0.0012 0.0137 1706 THR 84 CG2 -0.0049 0.0001 0.0133 1707 PHE 85 N -0.0052 -0.0008 0.0061 1708 PHE 85 CA -0.0064 -0.0006 0.0050 1709 PHE 85 C -0.0081 -0.0005 0.0023 1710 PHE 85 O -0.0088 -0.0004 0.0013 1711 PHE 85 CB -0.0043 -0.0010 0.0056 1712 PHE 85 CG -0.0035 -0.0010 0.0086 1713 PHE 85 CD1 -0.0007 -0.0014 0.0099 1714 PHE 85 CD2 -0.0057 -0.0006 0.0102 1715 PHE 85 CE1 -0.0004 -0.0013 0.0130 1716 PHE 85 CE2 -0.0046 -0.0007 0.0133 1717 PHE 85 CZ -0.0021 -0.0010 0.0149 1718 ALA 86 N -0.0082 -0.0005 0.0009 1719 ALA 86 CA -0.0096 -0.0004 -0.0022 1720 ALA 86 C -0.0124 0.0001 -0.0024 1721 ALA 86 O -0.0132 0.0001 -0.0042 1722 ALA 86 CB -0.0096 -0.0004 -0.0036 1723 THR 87 N -0.0144 0.0004 -0.0006 1724 THR 87 CA -0.0171 0.0009 -0.0009 1725 THR 87 C -0.0175 0.0010 0.0001 1726 THR 87 O -0.0189 0.0011 -0.0014 1727 THR 87 CB -0.0197 0.0014 0.0022 1728 THR 87 OG1 -0.0199 0.0014 0.0009 1729 THR 87 CG2 -0.0234 0.0019 -0.0002 1730 LEU 88 N -0.0153 -0.0004 0.0007 1731 LEU 88 CA -0.0151 -0.0005 0.0005 1732 LEU 88 C -0.0138 -0.0008 -0.0023 1733 LEU 88 O -0.0145 -0.0006 -0.0031 1734 LEU 88 CB -0.0136 -0.0011 0.0032 1735 LEU 88 CG -0.0152 -0.0007 0.0062 1736 LEU 88 CD1 -0.0133 -0.0014 0.0080 1737 LEU 88 CD2 -0.0171 0.0000 0.0059 1738 SER 89 N -0.0119 -0.0015 -0.0035 1739 SER 89 CA -0.0106 -0.0018 -0.0063 1740 SER 89 C -0.0127 -0.0010 -0.0087 1741 SER 89 O -0.0131 -0.0008 -0.0102 1742 SER 89 CB -0.0085 -0.0025 -0.0067 1743 SER 89 OG -0.0072 -0.0028 -0.0097 1744 GLU 90 N -0.0143 -0.0004 -0.0089 1745 GLU 90 CA -0.0166 0.0005 -0.0104 1746 GLU 90 C -0.0188 0.0012 -0.0108 1747 GLU 90 O -0.0192 0.0015 -0.0126 1748 GLU 90 CB -0.0184 0.0011 -0.0108 1749 GLU 90 CG -0.0163 0.0004 -0.0114 1750 GLU 90 CD -0.0180 0.0010 -0.0123 1751 GLU 90 OE1 -0.0196 0.0016 -0.0132 1752 GLU 90 OE2 -0.0177 0.0008 -0.0100 1753 LEU 91 N -0.0183 0.0002 -0.0084 1754 LEU 91 CA -0.0196 0.0005 -0.0078 1755 LEU 91 C -0.0179 0.0001 -0.0089 1756 LEU 91 O -0.0188 0.0007 -0.0100 1757 LEU 91 CB -0.0206 0.0001 -0.0045 1758 LEU 91 CG -0.0218 0.0003 -0.0036 1759 LEU 91 CD1 -0.0251 0.0017 -0.0045 1760 LEU 91 CD2 -0.0218 -0.0003 -0.0008 1761 HIS 92 N -0.0151 -0.0011 -0.0079 1762 HIS 92 CA -0.0137 -0.0014 -0.0085 1763 HIS 92 C -0.0126 -0.0010 -0.0121 1764 HIS 92 O -0.0123 -0.0009 -0.0131 1765 HIS 92 CB -0.0105 -0.0029 -0.0071 1766 HIS 92 CG -0.0109 -0.0035 -0.0038 1767 HIS 92 ND1 -0.0119 -0.0037 -0.0015 1768 HIS 92 CD2 -0.0100 -0.0042 -0.0021 1769 HIS 92 CE1 -0.0119 -0.0043 0.0013 1770 HIS 92 NE2 -0.0106 -0.0046 0.0006 1771 CYS 93 N -0.0125 -0.0007 -0.0138 1772 CYS 93 CA -0.0122 -0.0000 -0.0170 1773 CYS 93 C -0.0152 0.0013 -0.0183 1774 CYS 93 O -0.0151 0.0016 -0.0198 1775 CYS 93 CB -0.0110 -0.0002 -0.0180 1776 CYS 93 SG -0.0106 0.0007 -0.0224 1777 ASP 94 N -0.0167 0.0025 -0.0183 1778 ASP 94 CA -0.0191 0.0047 -0.0206 1779 ASP 94 C -0.0207 0.0044 -0.0191 1780 ASP 94 O -0.0219 0.0060 -0.0211 1781 ASP 94 CB -0.0222 0.0057 -0.0204 1782 ASP 94 CG -0.0217 0.0065 -0.0222 1783 ASP 94 OD1 -0.0191 0.0065 -0.0239 1784 ASP 94 OD2 -0.0235 0.0064 -0.0208 1785 LYS 95 N -0.0214 0.0030 -0.0161 1786 LYS 95 CA -0.0226 0.0031 -0.0153 1787 LYS 95 C -0.0209 0.0018 -0.0141 1788 LYS 95 O -0.0208 0.0021 -0.0147 1789 LYS 95 CB -0.0260 0.0026 -0.0120 1790 LYS 95 CG -0.0290 0.0042 -0.0129 1791 LYS 95 CD -0.0303 0.0064 -0.0159 1792 LYS 95 CE -0.0338 0.0079 -0.0162 1793 LYS 95 NZ -0.0352 0.0099 -0.0189 1794 LEU 96 N -0.0180 -0.0004 -0.0122 1795 LEU 96 CA -0.0156 -0.0018 -0.0114 1796 LEU 96 C -0.0121 -0.0019 -0.0136 1797 LEU 96 O -0.0106 -0.0027 -0.0133 1798 LEU 96 CB -0.0152 -0.0039 -0.0078 1799 LEU 96 CG -0.0184 -0.0043 -0.0049 1800 LEU 96 CD1 -0.0168 -0.0066 -0.0018 1801 LEU 96 CD2 -0.0202 -0.0038 -0.0044 1802 HIS 97 N -0.0088 -0.0017 -0.0154 1803 HIS 97 CA -0.0071 -0.0013 -0.0165 1804 HIS 97 C -0.0056 -0.0029 -0.0162 1805 HIS 97 O -0.0040 -0.0030 -0.0169 1806 HIS 97 CB -0.0064 -0.0002 -0.0177 1807 HIS 97 CG -0.0080 0.0014 -0.0179 1808 HIS 97 ND1 -0.0090 0.0025 -0.0182 1809 HIS 97 CD2 -0.0088 0.0013 -0.0175 1810 HIS 97 CE1 -0.0103 0.0034 -0.0181 1811 HIS 97 NE2 -0.0102 0.0028 -0.0178 1812 VAL 98 N -0.0061 -0.0039 -0.0152 1813 VAL 98 CA -0.0047 -0.0056 -0.0148 1814 VAL 98 C -0.0038 -0.0053 -0.0154 1815 VAL 98 O -0.0048 -0.0053 -0.0150 1816 VAL 98 CB -0.0056 -0.0070 -0.0134 1817 VAL 98 CG1 -0.0043 -0.0086 -0.0130 1818 VAL 98 CG2 -0.0064 -0.0074 -0.0128 1819 ASP 99 N -0.0020 -0.0055 -0.0162 1820 ASP 99 CA -0.0010 -0.0052 -0.0169 1821 ASP 99 C -0.0013 -0.0068 -0.0156 1822 ASP 99 O -0.0009 -0.0084 -0.0148 1823 ASP 99 CB 0.0009 -0.0057 -0.0175 1824 ASP 99 CG 0.0023 -0.0058 -0.0181 1825 ASP 99 OD1 0.0039 -0.0058 -0.0189 1826 ASP 99 OD2 0.0015 -0.0058 -0.0177 1827 PRO 100 N -0.0005 -0.0041 -0.0154 1828 PRO 100 CA -0.0000 -0.0044 -0.0145 1829 PRO 100 C 0.0013 -0.0048 -0.0142 1830 PRO 100 O 0.0016 -0.0052 -0.0131 1831 PRO 100 CB 0.0001 -0.0042 -0.0152 1832 PRO 100 CG -0.0006 -0.0037 -0.0164 1833 PRO 100 CD -0.0008 -0.0036 -0.0166 1834 GLU 101 N 0.0019 -0.0047 -0.0146 1835 GLU 101 CA 0.0031 -0.0051 -0.0140 1836 GLU 101 C 0.0029 -0.0055 -0.0127 1837 GLU 101 O 0.0035 -0.0059 -0.0119 1838 GLU 101 CB 0.0038 -0.0050 -0.0147 1839 GLU 101 CG 0.0050 -0.0053 -0.0142 1840 GLU 101 CD 0.0063 -0.0054 -0.0145 1841 GLU 101 OE1 0.0059 -0.0051 -0.0153 1842 GLU 101 OE2 0.0067 -0.0057 -0.0137 1843 ASN 102 N 0.0016 -0.0054 -0.0124 1844 ASN 102 CA 0.0013 -0.0058 -0.0111 1845 ASN 102 C 0.0013 -0.0060 -0.0103 1846 ASN 102 O 0.0016 -0.0065 -0.0092 1847 ASN 102 CB -0.0001 -0.0056 -0.0111 1848 ASN 102 CG -0.0001 -0.0054 -0.0116 1849 ASN 102 OD1 0.0003 -0.0056 -0.0113 1850 ASN 102 ND2 -0.0008 -0.0049 -0.0128 1851 PHE 103 N 0.0018 -0.0036 -0.0062 1852 PHE 103 CA 0.0023 -0.0037 -0.0051 1853 PHE 103 C 0.0039 -0.0043 -0.0046 1854 PHE 103 O 0.0044 -0.0045 -0.0033 1855 PHE 103 CB 0.0021 -0.0037 -0.0054 1856 PHE 103 CG 0.0005 -0.0032 -0.0060 1857 PHE 103 CD1 -0.0006 -0.0028 -0.0052 1858 PHE 103 CD2 0.0004 -0.0031 -0.0072 1859 PHE 103 CE1 -0.0021 -0.0023 -0.0058 1860 PHE 103 CE2 -0.0011 -0.0026 -0.0077 1861 PHE 103 CZ -0.0023 -0.0022 -0.0068 1862 ARG 104 N 0.0048 -0.0046 -0.0058 1863 ARG 104 CA 0.0064 -0.0051 -0.0054 1864 ARG 104 C 0.0066 -0.0052 -0.0046 1865 ARG 104 O 0.0076 -0.0055 -0.0035 1866 ARG 104 CB 0.0072 -0.0054 -0.0072 1867 ARG 104 CG 0.0073 -0.0054 -0.0080 1868 ARG 104 CD 0.0079 -0.0056 -0.0099 1869 ARG 104 NE 0.0069 -0.0053 -0.0104 1870 ARG 104 CZ 0.0087 -0.0059 -0.0120 1871 ARG 104 NH1 0.0089 -0.0060 -0.0133 1872 ARG 104 NH2 0.0095 -0.0062 -0.0122 1873 LEU 105 N 0.0057 -0.0049 -0.0051 1874 LEU 105 CA 0.0057 -0.0049 -0.0043 1875 LEU 105 C 0.0052 -0.0047 -0.0026 1876 LEU 105 O 0.0060 -0.0050 -0.0015 1877 LEU 105 CB 0.0046 -0.0045 -0.0050 1878 LEU 105 CG 0.0052 -0.0047 -0.0067 1879 LEU 105 CD1 0.0038 -0.0043 -0.0072 1880 LEU 105 CD2 0.0066 -0.0052 -0.0066 1881 LEU 106 N 0.0064 -0.0035 0.0009 1882 LEU 106 CA 0.0064 -0.0033 0.0012 1883 LEU 106 C 0.0068 -0.0031 0.0012 1884 LEU 106 O 0.0069 -0.0028 0.0015 1885 LEU 106 CB 0.0061 -0.0035 0.0010 1886 LEU 106 CG 0.0061 -0.0035 0.0013 1887 LEU 106 CD1 0.0059 -0.0033 0.0017 1888 LEU 106 CD2 0.0060 -0.0037 0.0010 1889 GLY 107 N 0.0071 -0.0031 0.0008 1890 GLY 107 CA 0.0075 -0.0029 0.0008 1891 GLY 107 C 0.0077 -0.0026 0.0011 1892 GLY 107 O 0.0079 -0.0023 0.0013 1893 ASN 108 N 0.0076 -0.0026 0.0012 1894 ASN 108 CA 0.0078 -0.0023 0.0014 1895 ASN 108 C 0.0075 -0.0022 0.0019 1896 ASN 108 O 0.0077 -0.0019 0.0021 1897 ASN 108 CB 0.0077 -0.0024 0.0014 1898 ASN 108 CG 0.0081 -0.0024 0.0009 1899 ASN 108 OD1 0.0084 -0.0023 0.0008 1900 ASN 108 ND2 0.0079 -0.0025 0.0010 1901 VAL 109 N 0.0069 -0.0017 0.0005 1902 VAL 109 CA 0.0071 -0.0017 -0.0000 1903 VAL 109 C 0.0070 -0.0017 -0.0000 1904 VAL 109 O 0.0069 -0.0019 -0.0005 1905 VAL 109 CB 0.0076 -0.0013 -0.0001 1906 VAL 109 CG1 0.0077 -0.0013 -0.0006 1907 VAL 109 CG2 0.0076 -0.0013 -0.0003 1908 LEU 110 N 0.0071 -0.0016 0.0004 1909 LEU 110 CA 0.0070 -0.0016 0.0005 1910 LEU 110 C 0.0065 -0.0020 0.0003 1911 LEU 110 O 0.0064 -0.0022 0.0000 1912 LEU 110 CB 0.0071 -0.0014 0.0010 1913 LEU 110 CG 0.0070 -0.0015 0.0011 1914 LEU 110 CD1 0.0072 -0.0014 0.0006 1915 LEU 110 CD2 0.0070 -0.0013 0.0016 1916 VAL 111 N 0.0062 -0.0022 0.0006 1917 VAL 111 CA 0.0058 -0.0026 0.0005 1918 VAL 111 C 0.0058 -0.0028 -0.0001 1919 VAL 111 O 0.0055 -0.0030 -0.0003 1920 VAL 111 CB 0.0055 -0.0027 0.0009 1921 VAL 111 CG1 0.0050 -0.0031 0.0007 1922 VAL 111 CG2 0.0055 -0.0026 0.0014 1923 CYS 112 N 0.0059 -0.0000 0.0007 1924 CYS 112 CA 0.0062 -0.0004 0.0002 1925 CYS 112 C 0.0066 -0.0011 -0.0007 1926 CYS 112 O 0.0062 -0.0016 -0.0014 1927 CYS 112 CB 0.0071 -0.0003 0.0004 1928 CYS 112 SG 0.0067 0.0004 0.0014 1929 VAL 113 N 0.0072 -0.0011 -0.0006 1930 VAL 113 CA 0.0074 -0.0017 -0.0015 1931 VAL 113 C 0.0065 -0.0020 -0.0020 1932 VAL 113 O 0.0065 -0.0027 -0.0029 1933 VAL 113 CB 0.0084 -0.0016 -0.0013 1934 VAL 113 CG1 0.0086 -0.0022 -0.0021 1935 VAL 113 CG2 0.0094 -0.0015 -0.0010 1936 LEU 114 N 0.0056 -0.0017 -0.0017 1937 LEU 114 CA 0.0047 -0.0020 -0.0022 1938 LEU 114 C 0.0042 -0.0023 -0.0027 1939 LEU 114 O 0.0036 -0.0028 -0.0034 1940 LEU 114 CB 0.0041 -0.0015 -0.0016 1941 LEU 114 CG 0.0045 -0.0013 -0.0013 1942 LEU 114 CD1 0.0038 -0.0008 -0.0005 1943 LEU 114 CD2 0.0047 -0.0019 -0.0020 1944 ALA 115 N 0.0050 -0.0008 -0.0022 1945 ALA 115 CA 0.0042 -0.0001 -0.0023 1946 ALA 115 C 0.0045 -0.0004 -0.0027 1947 ALA 115 O 0.0040 0.0000 -0.0034 1948 ALA 115 CB 0.0039 0.0002 -0.0012 1949 HIS 116 N 0.0051 -0.0009 -0.0022 1950 HIS 116 CA 0.0053 -0.0011 -0.0024 1951 HIS 116 C 0.0056 -0.0014 -0.0036 1952 HIS 116 O 0.0054 -0.0012 -0.0042 1953 HIS 116 CB 0.0060 -0.0017 -0.0017 1954 HIS 116 CG 0.0062 -0.0020 -0.0017 1955 HIS 116 ND1 0.0071 -0.0028 -0.0020 1956 HIS 116 CD2 0.0059 -0.0016 -0.0017 1957 HIS 116 CE1 0.0071 -0.0027 -0.0018 1958 HIS 116 NE2 0.0063 -0.0021 -0.0018 1959 HIS 117 N 0.0061 -0.0019 -0.0040 1960 HIS 117 CA 0.0063 -0.0021 -0.0051 1961 HIS 117 C 0.0057 -0.0016 -0.0060 1962 HIS 117 O 0.0058 -0.0017 -0.0069 1963 HIS 117 CB 0.0070 -0.0027 -0.0054 1964 HIS 117 CG 0.0077 -0.0034 -0.0057 1965 HIS 117 ND1 0.0079 -0.0036 -0.0043 1966 HIS 117 CD2 0.0084 -0.0041 -0.0068 1967 HIS 117 CE1 0.0090 -0.0046 -0.0044 1968 HIS 117 NE2 0.0092 -0.0048 -0.0053 1969 PHE 118 N 0.0027 -0.0068 -0.0035 1970 PHE 118 CA 0.0010 -0.0066 -0.0044 1971 PHE 118 C 0.0009 -0.0063 -0.0042 1972 PHE 118 O -0.0005 -0.0066 -0.0052 1973 PHE 118 CB -0.0002 -0.0056 -0.0044 1974 PHE 118 CG -0.0004 -0.0064 -0.0050 1975 PHE 118 CD1 0.0003 -0.0058 -0.0042 1976 PHE 118 CD2 -0.0009 -0.0081 -0.0063 1977 PHE 118 CE1 0.0001 -0.0065 -0.0048 1978 PHE 118 CE2 -0.0014 -0.0082 -0.0066 1979 PHE 118 CZ -0.0004 -0.0082 -0.0061 1980 GLY 119 N 0.0021 -0.0056 -0.0032 1981 GLY 119 CA 0.0020 -0.0053 -0.0031 1982 GLY 119 C 0.0004 -0.0041 -0.0033 1983 GLY 119 O -0.0005 -0.0028 -0.0029 1984 LYS 120 N -0.0006 -0.0046 -0.0040 1985 LYS 120 CA -0.0022 -0.0033 -0.0042 1986 LYS 120 C -0.0039 -0.0030 -0.0049 1987 LYS 120 O -0.0050 -0.0016 -0.0047 1988 LYS 120 CB -0.0030 -0.0041 -0.0051 1989 LYS 120 CG -0.0037 -0.0054 -0.0062 1990 LYS 120 CD -0.0044 -0.0060 -0.0070 1991 LYS 120 CE -0.0054 -0.0075 -0.0083 1992 LYS 120 NZ -0.0065 -0.0082 -0.0094 1993 GLU 121 N -0.0028 -0.0068 -0.0042 1994 GLU 121 CA -0.0034 -0.0065 -0.0040 1995 GLU 121 C -0.0032 -0.0055 -0.0028 1996 GLU 121 O -0.0040 -0.0051 -0.0026 1997 GLU 121 CB -0.0029 -0.0072 -0.0047 1998 GLU 121 CG -0.0037 -0.0073 -0.0050 1999 GLU 121 CD -0.0026 -0.0080 -0.0057 2000 GLU 121 OE1 -0.0037 -0.0075 -0.0054 2001 GLU 121 OE2 -0.0027 -0.0086 -0.0064 2002 PHE 122 N -0.0022 -0.0052 -0.0022 2003 PHE 122 CA -0.0020 -0.0044 -0.0011 2004 PHE 122 C -0.0029 -0.0037 -0.0006 2005 PHE 122 O -0.0024 -0.0035 -0.0002 2006 PHE 122 CB -0.0005 -0.0044 -0.0008 2007 PHE 122 CG -0.0002 -0.0036 0.0002 2008 PHE 122 CD1 -0.0003 -0.0035 0.0003 2009 PHE 122 CD2 0.0002 -0.0031 0.0010 2010 PHE 122 CE1 0.0001 -0.0029 0.0012 2011 PHE 122 CE2 0.0006 -0.0023 0.0020 2012 PHE 122 CZ 0.0004 -0.0023 0.0020 2013 THR 123 N -0.0041 -0.0036 -0.0008 2014 THR 123 CA -0.0051 -0.0031 -0.0005 2015 THR 123 C -0.0048 -0.0021 0.0008 2016 THR 123 O -0.0044 -0.0019 0.0011 2017 THR 123 CB -0.0064 -0.0032 -0.0009 2018 THR 123 OG1 -0.0067 -0.0029 -0.0007 2019 THR 123 CG2 -0.0067 -0.0041 -0.0021 2020 PRO 124 N -0.0043 -0.0032 0.0033 2021 PRO 124 CA -0.0042 -0.0015 0.0041 2022 PRO 124 C -0.0054 -0.0010 0.0036 2023 PRO 124 O -0.0049 -0.0004 0.0042 2024 PRO 124 CB -0.0044 -0.0003 0.0045 2025 PRO 124 CG -0.0037 -0.0015 0.0044 2026 PRO 124 CD -0.0043 -0.0033 0.0032 2027 PRO 125 N -0.0068 -0.0011 0.0027 2028 PRO 125 CA -0.0080 -0.0007 0.0022 2029 PRO 125 C -0.0076 -0.0016 0.0019 2030 PRO 125 O -0.0078 -0.0009 0.0022 2031 PRO 125 CB -0.0096 -0.0007 0.0012 2032 PRO 125 CG -0.0093 -0.0007 0.0013 2033 PRO 125 CD -0.0078 -0.0016 0.0018 2034 VAL 126 N -0.0070 -0.0031 0.0016 2035 VAL 126 CA -0.0065 -0.0041 0.0015 2036 VAL 126 C -0.0051 -0.0039 0.0025 2037 VAL 126 O -0.0050 -0.0036 0.0026 2038 VAL 126 CB -0.0061 -0.0060 0.0009 2039 VAL 126 CG1 -0.0057 -0.0070 0.0007 2040 VAL 126 CG2 -0.0076 -0.0065 -0.0002 2041 GLN 127 N -0.0040 -0.0038 0.0033 2042 GLN 127 CA -0.0026 -0.0029 0.0042 2043 GLN 127 C -0.0032 -0.0014 0.0046 2044 GLN 127 O -0.0028 -0.0006 0.0051 2045 GLN 127 CB -0.0013 -0.0028 0.0047 2046 GLN 127 CG -0.0000 -0.0017 0.0057 2047 GLN 127 CD 0.0011 -0.0014 0.0062 2048 GLN 127 OE1 0.0011 -0.0020 0.0059 2049 GLN 127 NE2 0.0023 -0.0005 0.0070 2050 ALA 128 N -0.0043 -0.0002 0.0047 2051 ALA 128 CA -0.0051 0.0014 0.0051 2052 ALA 128 C -0.0059 0.0016 0.0049 2053 ALA 128 O -0.0056 0.0026 0.0054 2054 ALA 128 CB -0.0062 0.0023 0.0051 2055 ALA 129 N -0.0069 0.0005 0.0040 2056 ALA 129 CA -0.0077 0.0003 0.0037 2057 ALA 129 C -0.0063 -0.0003 0.0039 2058 ALA 129 O -0.0065 0.0006 0.0043 2059 ALA 129 CB -0.0089 -0.0010 0.0027 2060 TYR 130 N -0.0053 -0.0023 0.0036 2061 TYR 130 CA -0.0034 -0.0020 0.0039 2062 TYR 130 C -0.0022 -0.0006 0.0051 2063 TYR 130 O -0.0011 0.0000 0.0057 2064 TYR 130 CB -0.0021 -0.0033 0.0026 2065 TYR 130 CG -0.0022 -0.0044 0.0015 2066 TYR 130 CD1 -0.0009 -0.0044 0.0015 2067 TYR 130 CD2 -0.0035 -0.0056 0.0005 2068 TYR 130 CE1 -0.0013 -0.0054 0.0006 2069 TYR 130 CE2 -0.0040 -0.0066 -0.0005 2070 TYR 130 CZ -0.0024 -0.0065 -0.0005 2071 TYR 130 OH -0.0027 -0.0075 -0.0013 2072 GLN 131 N -0.0026 -0.0002 0.0056 2073 GLN 131 CA -0.0019 0.0012 0.0068 2074 GLN 131 C -0.0025 0.0025 0.0081 2075 GLN 131 O -0.0011 0.0034 0.0088 2076 GLN 131 CB -0.0025 0.0015 0.0071 2077 GLN 131 CG -0.0013 0.0004 0.0060 2078 GLN 131 CD 0.0009 0.0007 0.0062 2079 GLN 131 OE1 0.0014 -0.0003 0.0053 2080 GLN 131 NE2 0.0019 0.0017 0.0072 2081 LYS 132 N -0.0044 0.0024 0.0081 2082 LYS 132 CA -0.0053 0.0035 0.0092 2083 LYS 132 C -0.0041 0.0036 0.0092 2084 LYS 132 O -0.0033 0.0047 0.0102 2085 LYS 132 CB -0.0072 0.0034 0.0091 2086 LYS 132 CG -0.0085 0.0039 0.0096 2087 LYS 132 CD -0.0106 0.0036 0.0094 2088 LYS 132 CE -0.0114 0.0039 0.0097 2089 LYS 132 NZ -0.0139 0.0037 0.0096 2090 VAL 133 N -0.0002 -0.0028 0.0065 2091 VAL 133 CA -0.0002 -0.0029 0.0065 2092 VAL 133 C 0.0007 -0.0026 0.0065 2093 VAL 133 O 0.0007 -0.0019 0.0067 2094 VAL 133 CB -0.0005 -0.0039 0.0063 2095 VAL 133 CG1 -0.0004 -0.0040 0.0063 2096 VAL 133 CG2 -0.0015 -0.0041 0.0063 2097 VAL 134 N 0.0015 -0.0028 0.0064 2098 VAL 134 CA 0.0024 -0.0026 0.0064 2099 VAL 134 C 0.0025 -0.0016 0.0067 2100 VAL 134 O 0.0030 -0.0010 0.0068 2101 VAL 134 CB 0.0034 -0.0030 0.0063 2102 VAL 134 CG1 0.0032 -0.0040 0.0060 2103 VAL 134 CG2 0.0036 -0.0030 0.0063 2104 ALA 135 N 0.0023 -0.0011 0.0068 2105 ALA 135 CA 0.0024 -0.0001 0.0070 2106 ALA 135 C 0.0018 0.0004 0.0072 2107 ALA 135 O 0.0020 0.0012 0.0074 2108 ALA 135 CB 0.0023 0.0001 0.0071 2109 GLY 136 N 0.0048 -0.0059 0.0055 2110 GLY 136 CA 0.0043 -0.0055 0.0059 2111 GLY 136 C 0.0030 -0.0045 0.0057 2112 GLY 136 O 0.0025 -0.0041 0.0052 2113 VAL 137 N 0.0026 -0.0041 0.0066 2114 VAL 137 CA 0.0014 -0.0032 0.0065 2115 VAL 137 C 0.0009 -0.0029 0.0050 2116 VAL 137 O 0.0000 -0.0023 0.0045 2117 VAL 137 CB 0.0011 -0.0029 0.0075 2118 VAL 137 CG1 -0.0002 -0.0019 0.0074 2119 VAL 137 CG2 0.0015 -0.0031 0.0090 2120 ALA 138 N 0.0014 -0.0034 0.0040 2121 ALA 138 CA 0.0011 -0.0032 0.0025 2122 ALA 138 C 0.0009 -0.0031 0.0017 2123 ALA 138 O 0.0002 -0.0026 0.0007 2124 ALA 138 CB 0.0018 -0.0038 0.0019 2125 ASN 139 N 0.0016 -0.0050 -0.0016 2126 ASN 139 CA 0.0016 -0.0051 -0.0029 2127 ASN 139 C 0.0008 -0.0048 -0.0028 2128 ASN 139 O 0.0000 -0.0046 -0.0038 2129 ASN 139 CB 0.0031 -0.0056 -0.0028 2130 ASN 139 CG 0.0035 -0.0058 -0.0032 2131 ASN 139 OD1 0.0040 -0.0060 -0.0039 2132 ASN 139 ND2 0.0056 -0.0065 -0.0029 2133 ALA 140 N 0.0003 -0.0045 -0.0013 2134 ALA 140 CA -0.0006 -0.0042 -0.0012 2135 ALA 140 C -0.0021 -0.0037 -0.0015 2136 ALA 140 O -0.0030 -0.0034 -0.0022 2137 ALA 140 CB -0.0006 -0.0040 0.0006 2138 LEU 141 N -0.0025 -0.0035 -0.0012 2139 LEU 141 CA -0.0038 -0.0031 -0.0015 2140 LEU 141 C -0.0041 -0.0031 -0.0031 2141 LEU 141 O -0.0052 -0.0028 -0.0038 2142 LEU 141 CB -0.0041 -0.0029 -0.0006 2143 LEU 141 CG -0.0047 -0.0025 0.0009 2144 LEU 141 CD1 -0.0048 -0.0024 0.0017 2145 LEU 141 CD2 -0.0061 -0.0020 0.0010 2146 ALA 142 N -0.0028 -0.0040 -0.0070 2147 ALA 142 CA -0.0028 -0.0040 -0.0097 2148 ALA 142 C -0.0031 -0.0040 -0.0117 2149 ALA 142 O -0.0035 -0.0039 -0.0143 2150 ALA 142 CB -0.0005 -0.0048 -0.0107 2151 HIS 143 N -0.0027 -0.0041 -0.0105 2152 HIS 143 CA -0.0020 -0.0043 -0.0119 2153 HIS 143 C -0.0046 -0.0036 -0.0142 2154 HIS 143 O -0.0041 -0.0038 -0.0163 2155 HIS 143 CB -0.0018 -0.0044 -0.0101 2156 HIS 143 CG -0.0008 -0.0047 -0.0118 2157 HIS 143 ND1 -0.0036 -0.0038 -0.0108 2158 HIS 143 CD2 0.0010 -0.0053 -0.0132 2159 HIS 143 CE1 -0.0008 -0.0047 -0.0129 2160 HIS 143 NE2 0.0013 -0.0054 -0.0145 2161 LYS 144 N -0.0070 -0.0028 -0.0133 2162 LYS 144 CA -0.0091 -0.0022 -0.0150 2163 LYS 144 C -0.0098 -0.0020 -0.0166 2164 LYS 144 O -0.0121 -0.0014 -0.0180 2165 LYS 144 CB -0.0111 -0.0016 -0.0129 2166 LYS 144 CG -0.0103 -0.0018 -0.0116 2167 LYS 144 CD -0.0110 -0.0016 -0.0130 2168 LYS 144 CE -0.0120 -0.0013 -0.0141 2169 LYS 144 NZ -0.0150 -0.0004 -0.0116 2170 TYR 145 N -0.0074 -0.0018 -0.0199 2171 TYR 145 CA -0.0071 -0.0016 -0.0207 2172 TYR 145 C -0.0074 -0.0009 -0.0233 2173 TYR 145 O -0.0062 -0.0008 -0.0239 2174 TYR 145 CB -0.0059 -0.0017 -0.0200 2175 TYR 145 CG -0.0063 -0.0023 -0.0177 2176 TYR 145 CD1 -0.0068 -0.0023 -0.0177 2177 TYR 145 CD2 -0.0066 -0.0026 -0.0163 2178 TYR 145 CE1 -0.0073 -0.0027 -0.0160 2179 TYR 145 CE2 -0.0074 -0.0032 -0.0142 2180 TYR 145 CZ -0.0077 -0.0032 -0.0140 2181 TYR 145 OH -0.0080 -0.0037 -0.0121 2182 HIS 146 N -0.0083 -0.0007 -0.0241 2183 HIS 146 CA -0.0087 -0.0001 -0.0266 2184 HIS 146 C -0.0093 -0.0000 -0.0271 2185 HIS 146 O -0.0098 -0.0003 -0.0257 2186 HIS 146 CB -0.0100 0.0000 -0.0272 2187 HIS 146 CG -0.0129 -0.0000 -0.0270 2188 HIS 146 ND1 -0.0139 0.0001 -0.0274 2189 HIS 146 CD2 -0.0132 -0.0006 -0.0246 2190 HIS 146 CE1 -0.0165 -0.0002 -0.0262 2191 HIS 146 NE2 -0.0152 -0.0006 -0.0249 2192 HIS 146 OXT -0.0091 0.0004 -0.0289 2193 VAL 1 N 0.0077 -0.0039 0.0052 2194 VAL 1 CA 0.0117 -0.0044 0.0057 2195 VAL 1 C 0.0121 -0.0013 0.0051 2196 VAL 1 O 0.0112 0.0001 0.0047 2197 VAL 1 CB 0.0110 -0.0050 0.0057 2198 VAL 1 CG1 0.0148 -0.0043 0.0059 2199 VAL 1 CG2 0.0141 -0.0077 0.0066 2200 LEU 2 N 0.0129 -0.0005 0.0050 2201 LEU 2 CA 0.0129 0.0018 0.0045 2202 LEU 2 C 0.0152 0.0031 0.0045 2203 LEU 2 O 0.0169 0.0020 0.0049 2204 LEU 2 CB 0.0132 0.0022 0.0045 2205 LEU 2 CG 0.0107 0.0023 0.0042 2206 LEU 2 CD1 0.0108 0.0022 0.0042 2207 LEU 2 CD2 0.0089 0.0030 0.0039 2208 SER 3 N 0.0150 0.0042 0.0042 2209 SER 3 CA 0.0170 0.0054 0.0042 2210 SER 3 C 0.0180 0.0068 0.0040 2211 SER 3 O 0.0171 0.0079 0.0037 2212 SER 3 CB 0.0161 0.0062 0.0039 2213 SER 3 OG 0.0150 0.0082 0.0034 2214 PRO 4 N 0.0210 0.0058 0.0061 2215 PRO 4 CA 0.0216 0.0070 0.0056 2216 PRO 4 C 0.0202 0.0091 0.0035 2217 PRO 4 O 0.0194 0.0094 0.0028 2218 PRO 4 CB 0.0247 0.0080 0.0063 2219 PRO 4 CG 0.0255 0.0061 0.0080 2220 PRO 4 CD 0.0231 0.0051 0.0076 2221 ALA 5 N 0.0201 0.0097 0.0030 2222 ALA 5 CA 0.0187 0.0115 0.0011 2223 ALA 5 C 0.0158 0.0105 0.0004 2224 ALA 5 O 0.0146 0.0116 -0.0010 2225 ALA 5 CB 0.0187 0.0129 0.0001 2226 ASP 6 N 0.0148 0.0087 0.0012 2227 ASP 6 CA 0.0122 0.0075 0.0008 2228 ASP 6 C 0.0119 0.0072 0.0008 2229 ASP 6 O 0.0099 0.0074 -0.0003 2230 ASP 6 CB 0.0113 0.0051 0.0020 2231 ASP 6 CG 0.0109 0.0054 0.0016 2232 ASP 6 OD1 0.0100 0.0071 -0.0000 2233 ASP 6 OD2 0.0113 0.0038 0.0029 2234 LYS 7 N 0.0138 0.0058 0.0031 2235 LYS 7 CA 0.0129 0.0062 0.0025 2236 LYS 7 C 0.0125 0.0075 0.0009 2237 LYS 7 O 0.0110 0.0081 -0.0000 2238 LYS 7 CB 0.0142 0.0052 0.0040 2239 LYS 7 CG 0.0143 0.0037 0.0059 2240 LYS 7 CD 0.0148 0.0023 0.0077 2241 LYS 7 CE 0.0162 0.0015 0.0088 2242 LYS 7 NZ 0.0174 0.0005 0.0102 2243 THR 8 N 0.0147 0.0083 -0.0001 2244 THR 8 CA 0.0146 0.0100 -0.0022 2245 THR 8 C 0.0129 0.0108 -0.0033 2246 THR 8 O 0.0118 0.0117 -0.0046 2247 THR 8 CB 0.0177 0.0107 -0.0030 2248 THR 8 OG1 0.0189 0.0100 -0.0020 2249 THR 8 CG2 0.0178 0.0121 -0.0048 2250 ASN 9 N 0.0124 0.0104 -0.0028 2251 ASN 9 CA 0.0104 0.0109 -0.0036 2252 ASN 9 C 0.0080 0.0106 -0.0034 2253 ASN 9 O 0.0066 0.0116 -0.0048 2254 ASN 9 CB 0.0107 0.0104 -0.0030 2255 ASN 9 CG 0.0125 0.0112 -0.0039 2256 ASN 9 OD1 0.0135 0.0123 -0.0052 2257 ASN 9 ND2 0.0134 0.0104 -0.0028 2258 VAL 10 N 0.0075 0.0092 -0.0030 2259 VAL 10 CA 0.0058 0.0085 -0.0028 2260 VAL 10 C 0.0050 0.0087 -0.0034 2261 VAL 10 O 0.0037 0.0088 -0.0042 2262 VAL 10 CB 0.0055 0.0074 -0.0011 2263 VAL 10 CG1 0.0035 0.0065 -0.0007 2264 VAL 10 CG2 0.0055 0.0071 -0.0006 2265 LYS 11 N 0.0064 0.0088 -0.0030 2266 LYS 11 CA 0.0061 0.0093 -0.0038 2267 LYS 11 C 0.0059 0.0102 -0.0053 2268 LYS 11 O 0.0047 0.0104 -0.0062 2269 LYS 11 CB 0.0074 0.0090 -0.0028 2270 LYS 11 CG 0.0076 0.0080 -0.0011 2271 LYS 11 CD 0.0090 0.0080 -0.0006 2272 LYS 11 CE 0.0092 0.0071 0.0009 2273 LYS 11 NZ 0.0115 0.0070 0.0020 2274 ALA 12 N 0.0070 0.0109 -0.0060 2275 ALA 12 CA 0.0066 0.0118 -0.0075 2276 ALA 12 C 0.0051 0.0120 -0.0085 2277 ALA 12 O 0.0038 0.0124 -0.0097 2278 ALA 12 CB 0.0078 0.0126 -0.0083 2279 ALA 13 N 0.0006 0.0089 -0.0087 2280 ALA 13 CA -0.0002 0.0088 -0.0089 2281 ALA 13 C -0.0008 0.0085 -0.0089 2282 ALA 13 O -0.0014 0.0087 -0.0094 2283 ALA 13 CB -0.0003 0.0086 -0.0087 2284 TRP 14 N -0.0008 0.0080 -0.0082 2285 TRP 14 CA -0.0015 0.0076 -0.0081 2286 TRP 14 C -0.0014 0.0079 -0.0083 2287 TRP 14 O -0.0021 0.0079 -0.0087 2288 TRP 14 CB -0.0013 0.0071 -0.0073 2289 TRP 14 CG -0.0021 0.0067 -0.0072 2290 TRP 14 CD1 -0.0023 0.0065 -0.0070 2291 TRP 14 CD2 -0.0028 0.0064 -0.0072 2292 TRP 14 NE1 -0.0031 0.0061 -0.0069 2293 TRP 14 CE2 -0.0034 0.0060 -0.0070 2294 TRP 14 CE3 -0.0029 0.0065 -0.0074 2295 TRP 14 CZ2 -0.0041 0.0058 -0.0071 2296 TRP 14 CZ3 -0.0036 0.0063 -0.0074 2297 TRP 14 CH2 -0.0043 0.0059 -0.0073 2298 GLY 15 N -0.0009 0.0082 -0.0085 2299 GLY 15 CA -0.0005 0.0086 -0.0089 2300 GLY 15 C -0.0010 0.0090 -0.0096 2301 GLY 15 O -0.0017 0.0089 -0.0098 2302 LYS 16 N -0.0005 0.0071 -0.0095 2303 LYS 16 CA -0.0008 0.0077 -0.0102 2304 LYS 16 C -0.0020 0.0073 -0.0103 2305 LYS 16 O -0.0026 0.0076 -0.0108 2306 LYS 16 CB -0.0007 0.0082 -0.0106 2307 LYS 16 CG -0.0002 0.0092 -0.0112 2308 LYS 16 CD -0.0013 0.0092 -0.0117 2309 LYS 16 CE -0.0013 0.0103 -0.0126 2310 LYS 16 NZ -0.0024 0.0100 -0.0128 2311 VAL 17 N -0.0022 0.0065 -0.0097 2312 VAL 17 CA -0.0031 0.0061 -0.0097 2313 VAL 17 C -0.0033 0.0063 -0.0099 2314 VAL 17 O -0.0040 0.0064 -0.0103 2315 VAL 17 CB -0.0035 0.0053 -0.0091 2316 VAL 17 CG1 -0.0042 0.0050 -0.0091 2317 VAL 17 CG2 -0.0035 0.0055 -0.0093 2318 GLY 18 N -0.0027 0.0059 -0.0093 2319 GLY 18 CA -0.0028 0.0060 -0.0095 2320 GLY 18 C -0.0035 0.0056 -0.0093 2321 GLY 18 O -0.0040 0.0049 -0.0090 2322 ALA 19 N -0.0044 0.0048 -0.0108 2323 ALA 19 CA -0.0047 0.0050 -0.0107 2324 ALA 19 C -0.0050 0.0050 -0.0105 2325 ALA 19 O -0.0054 0.0052 -0.0103 2326 ALA 19 CB -0.0049 0.0052 -0.0111 2327 HIS 20 N -0.0049 0.0049 -0.0103 2328 HIS 20 CA -0.0052 0.0049 -0.0100 2329 HIS 20 C -0.0052 0.0047 -0.0096 2330 HIS 20 O -0.0054 0.0047 -0.0093 2331 HIS 20 CB -0.0050 0.0048 -0.0101 2332 HIS 20 CG -0.0049 0.0050 -0.0106 2333 HIS 20 ND1 -0.0053 0.0053 -0.0106 2334 HIS 20 CD2 -0.0046 0.0050 -0.0109 2335 HIS 20 CE1 -0.0052 0.0054 -0.0112 2336 HIS 20 NE2 -0.0047 0.0052 -0.0112 2337 ALA 21 N -0.0050 0.0045 -0.0095 2338 ALA 21 CA -0.0050 0.0043 -0.0090 2339 ALA 21 C -0.0054 0.0044 -0.0087 2340 ALA 21 O -0.0054 0.0043 -0.0084 2341 ALA 21 CB -0.0047 0.0042 -0.0091 2342 GLY 22 N -0.0038 0.0041 -0.0080 2343 GLY 22 CA -0.0038 0.0042 -0.0079 2344 GLY 22 C -0.0038 0.0042 -0.0077 2345 GLY 22 O -0.0039 0.0042 -0.0076 2346 GLU 23 N -0.0039 0.0043 -0.0075 2347 GLU 23 CA -0.0040 0.0043 -0.0073 2348 GLU 23 C -0.0042 0.0041 -0.0073 2349 GLU 23 O -0.0043 0.0041 -0.0071 2350 GLU 23 CB -0.0041 0.0044 -0.0072 2351 GLU 23 CG -0.0041 0.0045 -0.0069 2352 GLU 23 CD -0.0041 0.0047 -0.0068 2353 GLU 23 OE1 -0.0044 0.0044 -0.0067 2354 GLU 23 OE2 -0.0040 0.0046 -0.0070 2355 TYR 24 N -0.0043 0.0040 -0.0074 2356 TYR 24 CA -0.0044 0.0038 -0.0074 2357 TYR 24 C -0.0044 0.0037 -0.0074 2358 TYR 24 O -0.0046 0.0036 -0.0074 2359 TYR 24 CB -0.0045 0.0037 -0.0074 2360 TYR 24 CG -0.0045 0.0037 -0.0073 2361 TYR 24 CD1 -0.0046 0.0036 -0.0074 2362 TYR 24 CD2 -0.0045 0.0039 -0.0071 2363 TYR 24 CE1 -0.0046 0.0037 -0.0073 2364 TYR 24 CE2 -0.0045 0.0040 -0.0070 2365 TYR 24 CZ -0.0046 0.0038 -0.0071 2366 TYR 24 OH -0.0046 0.0039 -0.0071 2367 GLY 25 N -0.0044 0.0028 -0.0092 2368 GLY 25 CA -0.0040 0.0036 -0.0101 2369 GLY 25 C -0.0027 0.0040 -0.0098 2370 GLY 25 O -0.0023 0.0044 -0.0102 2371 ALA 26 N -0.0017 0.0039 -0.0091 2372 ALA 26 CA -0.0004 0.0041 -0.0086 2373 ALA 26 C -0.0004 0.0038 -0.0081 2374 ALA 26 O 0.0002 0.0040 -0.0081 2375 ALA 26 CB 0.0005 0.0040 -0.0079 2376 GLU 27 N -0.0012 0.0028 -0.0073 2377 GLU 27 CA -0.0012 0.0023 -0.0065 2378 GLU 27 C -0.0017 0.0026 -0.0073 2379 GLU 27 O -0.0012 0.0028 -0.0072 2380 GLU 27 CB -0.0022 0.0014 -0.0058 2381 GLU 27 CG -0.0022 0.0009 -0.0050 2382 GLU 27 CD -0.0030 -0.0001 -0.0041 2383 GLU 27 OE1 -0.0038 -0.0005 -0.0040 2384 GLU 27 OE2 -0.0031 -0.0004 -0.0037 2385 ALA 28 N -0.0024 0.0018 -0.0077 2386 ALA 28 CA -0.0031 0.0024 -0.0089 2387 ALA 28 C -0.0018 0.0032 -0.0098 2388 ALA 28 O -0.0018 0.0033 -0.0102 2389 ALA 28 CB -0.0044 0.0026 -0.0096 2390 LEU 29 N -0.0007 0.0035 -0.0101 2391 LEU 29 CA 0.0007 0.0043 -0.0110 2392 LEU 29 C 0.0016 0.0041 -0.0104 2393 LEU 29 O 0.0022 0.0045 -0.0109 2394 LEU 29 CB 0.0016 0.0047 -0.0114 2395 LEU 29 CG 0.0008 0.0051 -0.0125 2396 LEU 29 CD1 0.0017 0.0052 -0.0124 2397 LEU 29 CD2 0.0004 0.0058 -0.0138 2398 GLU 30 N 0.0022 0.0035 -0.0090 2399 GLU 30 CA 0.0031 0.0031 -0.0081 2400 GLU 30 C 0.0024 0.0030 -0.0082 2401 GLU 30 O 0.0032 0.0032 -0.0082 2402 GLU 30 CB 0.0036 0.0024 -0.0065 2403 GLU 30 CG 0.0047 0.0022 -0.0058 2404 GLU 30 CD 0.0058 0.0013 -0.0039 2405 GLU 30 OE1 0.0051 0.0012 -0.0040 2406 GLU 30 OE2 0.0065 0.0014 -0.0038 2407 ARG 31 N 0.0009 0.0021 -0.0085 2408 ARG 31 CA -0.0002 0.0016 -0.0082 2409 ARG 31 C -0.0003 0.0018 -0.0095 2410 ARG 31 O -0.0004 0.0017 -0.0092 2411 ARG 31 CB -0.0014 0.0010 -0.0082 2412 ARG 31 CG -0.0015 0.0006 -0.0067 2413 ARG 31 CD -0.0027 0.0001 -0.0068 2414 ARG 31 NE -0.0029 -0.0003 -0.0054 2415 ARG 31 CZ -0.0032 -0.0007 -0.0042 2416 ARG 31 NH1 -0.0034 -0.0008 -0.0042 2417 ARG 31 NH2 -0.0031 -0.0009 -0.0032 2418 MET 32 N -0.0003 0.0021 -0.0107 2419 MET 32 CA -0.0003 0.0024 -0.0120 2420 MET 32 C 0.0009 0.0029 -0.0120 2421 MET 32 O 0.0006 0.0028 -0.0122 2422 MET 32 CB -0.0004 0.0026 -0.0133 2423 MET 32 CG -0.0004 0.0029 -0.0145 2424 MET 32 SD -0.0003 0.0032 -0.0161 2425 MET 32 CE 0.0013 0.0040 -0.0159 2426 PHE 33 N 0.0021 0.0034 -0.0116 2427 PHE 33 CA 0.0032 0.0039 -0.0115 2428 PHE 33 C 0.0031 0.0036 -0.0105 2429 PHE 33 O 0.0036 0.0039 -0.0107 2430 PHE 33 CB 0.0044 0.0044 -0.0114 2431 PHE 33 CG 0.0046 0.0047 -0.0124 2432 PHE 33 CD1 0.0044 0.0050 -0.0138 2433 PHE 33 CD2 0.0052 0.0049 -0.0120 2434 PHE 33 CE1 0.0047 0.0053 -0.0148 2435 PHE 33 CE2 0.0053 0.0052 -0.0132 2436 PHE 33 CZ 0.0050 0.0054 -0.0145 2437 LEU 34 N 0.0039 0.0028 -0.0100 2438 LEU 34 CA 0.0037 0.0027 -0.0094 2439 LEU 34 C 0.0026 0.0026 -0.0098 2440 LEU 34 O 0.0027 0.0026 -0.0100 2441 LEU 34 CB 0.0036 0.0025 -0.0081 2442 LEU 34 CG 0.0048 0.0025 -0.0074 2443 LEU 34 CD1 0.0047 0.0023 -0.0061 2444 LEU 34 CD2 0.0059 0.0027 -0.0076 2445 SER 35 N 0.0016 0.0025 -0.0100 2446 SER 35 CA 0.0006 0.0024 -0.0105 2447 SER 35 C 0.0005 0.0026 -0.0117 2448 SER 35 O -0.0001 0.0026 -0.0120 2449 SER 35 CB -0.0005 0.0023 -0.0103 2450 SER 35 OG -0.0007 0.0021 -0.0091 2451 PHE 36 N 0.0011 0.0028 -0.0126 2452 PHE 36 CA 0.0010 0.0030 -0.0138 2453 PHE 36 C 0.0024 0.0032 -0.0143 2454 PHE 36 O 0.0028 0.0033 -0.0148 2455 PHE 36 CB 0.0003 0.0030 -0.0144 2456 PHE 36 CG -0.0010 0.0027 -0.0139 2457 PHE 36 CD1 -0.0013 0.0026 -0.0131 2458 PHE 36 CD2 -0.0019 0.0026 -0.0141 2459 PHE 36 CE1 -0.0024 0.0024 -0.0126 2460 PHE 36 CE2 -0.0028 0.0024 -0.0136 2461 PHE 36 CZ -0.0031 0.0023 -0.0129 2462 PRO 37 N -0.0006 0.0018 -0.0178 2463 PRO 37 CA -0.0004 0.0015 -0.0178 2464 PRO 37 C -0.0001 0.0008 -0.0181 2465 PRO 37 O 0.0003 0.0005 -0.0181 2466 PRO 37 CB -0.0010 0.0016 -0.0180 2467 PRO 37 CG -0.0015 0.0019 -0.0180 2468 PRO 37 CD -0.0012 0.0021 -0.0178 2469 THR 38 N -0.0002 0.0005 -0.0183 2470 THR 38 CA 0.0002 -0.0001 -0.0185 2471 THR 38 C 0.0008 -0.0002 -0.0183 2472 THR 38 O 0.0012 -0.0007 -0.0184 2473 THR 38 CB -0.0004 -0.0004 -0.0188 2474 THR 38 OG1 -0.0001 -0.0001 -0.0185 2475 THR 38 CG2 -0.0007 0.0002 -0.0186 2476 THR 39 N 0.0011 0.0003 -0.0180 2477 THR 39 CA 0.0018 0.0003 -0.0177 2478 THR 39 C 0.0021 0.0002 -0.0177 2479 THR 39 O 0.0027 -0.0001 -0.0176 2480 THR 39 CB 0.0020 0.0009 -0.0174 2481 THR 39 OG1 0.0018 0.0015 -0.0172 2482 THR 39 CG2 0.0017 0.0009 -0.0175 2483 LYS 40 N 0.0002 -0.0005 -0.0178 2484 LYS 40 CA 0.0003 0.0013 -0.0179 2485 LYS 40 C 0.0004 0.0011 -0.0180 2486 LYS 40 O 0.0007 0.0023 -0.0183 2487 LYS 40 CB -0.0006 0.0022 -0.0165 2488 LYS 40 CG -0.0007 0.0026 -0.0163 2489 LYS 40 CD -0.0018 0.0031 -0.0147 2490 LYS 40 CE -0.0019 0.0036 -0.0146 2491 LYS 40 NZ -0.0030 0.0040 -0.0130 2492 THR 41 N 0.0001 -0.0003 -0.0178 2493 THR 41 CA 0.0001 -0.0006 -0.0177 2494 THR 41 C 0.0011 -0.0004 -0.0191 2495 THR 41 O 0.0013 -0.0000 -0.0194 2496 THR 41 CB -0.0003 -0.0022 -0.0174 2497 THR 41 OG1 0.0002 -0.0034 -0.0182 2498 THR 41 CG2 -0.0013 -0.0025 -0.0161 2499 TYR 42 N 0.0020 -0.0003 -0.0203 2500 TYR 42 CA 0.0029 -0.0002 -0.0216 2501 TYR 42 C 0.0033 0.0016 -0.0220 2502 TYR 42 O 0.0042 0.0020 -0.0230 2503 TYR 42 CB 0.0036 -0.0011 -0.0226 2504 TYR 42 CG 0.0032 -0.0029 -0.0223 2505 TYR 42 CD1 0.0036 -0.0038 -0.0229 2506 TYR 42 CD2 0.0026 -0.0039 -0.0215 2507 TYR 42 CE1 0.0033 -0.0053 -0.0226 2508 TYR 42 CE2 0.0023 -0.0054 -0.0214 2509 TYR 42 CZ 0.0027 -0.0062 -0.0219 2510 TYR 42 OH 0.0025 -0.0079 -0.0218 2511 PHE 43 N 0.0068 0.0090 -0.0227 2512 PHE 43 CA 0.0089 0.0120 -0.0216 2513 PHE 43 C 0.0100 0.0143 -0.0187 2514 PHE 43 O 0.0105 0.0157 -0.0161 2515 PHE 43 CB 0.0078 0.0110 -0.0201 2516 PHE 43 CG 0.0066 0.0088 -0.0224 2517 PHE 43 CD1 0.0040 0.0056 -0.0222 2518 PHE 43 CD2 0.0082 0.0102 -0.0244 2519 PHE 43 CE1 0.0032 0.0039 -0.0245 2520 PHE 43 CE2 0.0069 0.0079 -0.0267 2521 PHE 43 CZ 0.0045 0.0047 -0.0270 2522 PRO 44 N 0.0109 0.0150 -0.0200 2523 PRO 44 CA 0.0119 0.0173 -0.0169 2524 PRO 44 C 0.0146 0.0204 -0.0178 2525 PRO 44 O 0.0154 0.0223 -0.0150 2526 PRO 44 CB 0.0120 0.0167 -0.0192 2527 PRO 44 CG 0.0122 0.0158 -0.0230 2528 PRO 44 CD 0.0106 0.0136 -0.0236 2529 HIS 45 N 0.0154 0.0208 -0.0200 2530 HIS 45 CA 0.0179 0.0237 -0.0206 2531 HIS 45 C 0.0180 0.0245 -0.0184 2532 HIS 45 O 0.0199 0.0266 -0.0195 2533 HIS 45 CB 0.0189 0.0238 -0.0244 2534 HIS 45 CG 0.0178 0.0214 -0.0277 2535 HIS 45 ND1 0.0153 0.0184 -0.0270 2536 HIS 45 CD2 0.0183 0.0214 -0.0294 2537 HIS 45 CE1 0.0150 0.0174 -0.0289 2538 HIS 45 NE2 0.0165 0.0187 -0.0309 2539 PHE 46 N 0.0180 0.0186 -0.0191 2540 PHE 46 CA 0.0175 0.0175 -0.0175 2541 PHE 46 C 0.0187 0.0173 -0.0150 2542 PHE 46 O 0.0190 0.0169 -0.0137 2543 PHE 46 CB 0.0148 0.0153 -0.0176 2544 PHE 46 CG 0.0139 0.0155 -0.0194 2545 PHE 46 CD1 0.0119 0.0138 -0.0192 2546 PHE 46 CD2 0.0139 0.0166 -0.0219 2547 PHE 46 CE1 0.0104 0.0136 -0.0213 2548 PHE 46 CE2 0.0128 0.0163 -0.0229 2549 PHE 46 CZ 0.0104 0.0146 -0.0235 2550 ASP 47 N 0.0192 0.0166 -0.0127 2551 ASP 47 CA 0.0196 0.0156 -0.0100 2552 ASP 47 C 0.0173 0.0133 -0.0089 2553 ASP 47 O 0.0160 0.0129 -0.0101 2554 ASP 47 CB 0.0209 0.0161 -0.0087 2555 ASP 47 CG 0.0219 0.0154 -0.0055 2556 ASP 47 OD1 0.0204 0.0140 -0.0051 2557 ASP 47 OD2 0.0231 0.0158 -0.0045 2558 LEU 48 N 0.0168 0.0128 -0.0085 2559 LEU 48 CA 0.0143 0.0106 -0.0080 2560 LEU 48 C 0.0144 0.0095 -0.0055 2561 LEU 48 O 0.0126 0.0075 -0.0043 2562 LEU 48 CB 0.0136 0.0105 -0.0090 2563 LEU 48 CG 0.0129 0.0111 -0.0116 2564 LEU 48 CD1 0.0122 0.0111 -0.0127 2565 LEU 48 CD2 0.0113 0.0109 -0.0138 2566 SER 49 N 0.0188 0.0096 -0.0055 2567 SER 49 CA 0.0197 0.0081 -0.0033 2568 SER 49 C 0.0178 0.0068 -0.0034 2569 SER 49 O 0.0162 0.0066 -0.0044 2570 SER 49 CB 0.0221 0.0086 -0.0022 2571 SER 49 OG 0.0224 0.0097 -0.0031 2572 HIS 50 N 0.0178 0.0048 -0.0014 2573 HIS 50 CA 0.0160 0.0031 -0.0010 2574 HIS 50 C 0.0160 0.0031 -0.0010 2575 HIS 50 O 0.0178 0.0036 -0.0002 2576 HIS 50 CB 0.0161 0.0010 0.0011 2577 HIS 50 CG 0.0143 -0.0003 0.0011 2578 HIS 50 ND1 0.0148 -0.0017 0.0029 2579 HIS 50 CD2 0.0122 -0.0011 0.0005 2580 HIS 50 CE1 0.0129 -0.0028 0.0027 2581 HIS 50 NE2 0.0107 -0.0027 0.0011 2582 GLY 51 N 0.0143 0.0028 -0.0020 2583 GLY 51 CA 0.0141 0.0028 -0.0021 2584 GLY 51 C 0.0144 0.0045 -0.0035 2585 GLY 51 O 0.0141 0.0048 -0.0040 2586 SER 52 N 0.0148 0.0058 -0.0027 2587 SER 52 CA 0.0157 0.0079 -0.0050 2588 SER 52 C 0.0144 0.0080 -0.0062 2589 SER 52 O 0.0118 0.0072 -0.0070 2590 SER 52 CB 0.0158 0.0091 -0.0066 2591 SER 52 OG 0.0164 0.0108 -0.0086 2592 ALA 53 N 0.0151 0.0087 -0.0066 2593 ALA 53 CA 0.0138 0.0092 -0.0083 2594 ALA 53 C 0.0123 0.0102 -0.0108 2595 ALA 53 O 0.0105 0.0099 -0.0118 2596 ALA 53 CB 0.0152 0.0095 -0.0076 2597 GLN 54 N 0.0140 0.0114 -0.0113 2598 GLN 54 CA 0.0130 0.0128 -0.0139 2599 GLN 54 C 0.0100 0.0115 -0.0144 2600 GLN 54 O 0.0083 0.0119 -0.0162 2601 GLN 54 CB 0.0147 0.0144 -0.0148 2602 GLN 54 CG 0.0168 0.0158 -0.0152 2603 GLN 54 CD 0.0191 0.0175 -0.0158 2604 GLN 54 OE1 0.0199 0.0170 -0.0146 2605 GLN 54 NE2 0.0192 0.0191 -0.0181 2606 VAL 55 N 0.0090 0.0081 -0.0118 2607 VAL 55 CA 0.0074 0.0079 -0.0120 2608 VAL 55 C 0.0059 0.0070 -0.0114 2609 VAL 55 O 0.0043 0.0071 -0.0119 2610 VAL 55 CB 0.0083 0.0073 -0.0112 2611 VAL 55 CG1 0.0067 0.0069 -0.0112 2612 VAL 55 CG2 0.0096 0.0083 -0.0119 2613 LYS 56 N 0.0062 0.0059 -0.0104 2614 LYS 56 CA 0.0048 0.0050 -0.0098 2615 LYS 56 C 0.0037 0.0056 -0.0106 2616 LYS 56 O 0.0020 0.0056 -0.0109 2617 LYS 56 CB 0.0055 0.0039 -0.0087 2618 LYS 56 CG 0.0064 0.0029 -0.0075 2619 LYS 56 CD 0.0052 0.0012 -0.0062 2620 LYS 56 CE 0.0074 0.0006 -0.0051 2621 LYS 56 NZ 0.0077 -0.0004 -0.0042 2622 GLY 57 N 0.0046 0.0067 -0.0114 2623 GLY 57 CA 0.0037 0.0075 -0.0123 2624 GLY 57 C 0.0024 0.0084 -0.0134 2625 GLY 57 O 0.0008 0.0086 -0.0140 2626 HIS 58 N 0.0037 0.0064 -0.0138 2627 HIS 58 CA 0.0024 0.0076 -0.0152 2628 HIS 58 C 0.0001 0.0072 -0.0142 2629 HIS 58 O -0.0014 0.0079 -0.0150 2630 HIS 58 CB 0.0033 0.0083 -0.0164 2631 HIS 58 CG 0.0022 0.0094 -0.0179 2632 HIS 58 ND1 0.0018 0.0102 -0.0190 2633 HIS 58 CD2 0.0015 0.0099 -0.0185 2634 HIS 58 CE1 0.0006 0.0111 -0.0202 2635 HIS 58 NE2 0.0003 0.0110 -0.0200 2636 GLY 59 N 0.0004 0.0063 -0.0130 2637 GLY 59 CA -0.0014 0.0060 -0.0123 2638 GLY 59 C -0.0030 0.0057 -0.0115 2639 GLY 59 O -0.0051 0.0061 -0.0117 2640 LYS 60 N -0.0022 0.0051 -0.0108 2641 LYS 60 CA -0.0034 0.0049 -0.0103 2642 LYS 60 C -0.0044 0.0059 -0.0117 2643 LYS 60 O -0.0062 0.0061 -0.0116 2644 LYS 60 CB -0.0020 0.0039 -0.0091 2645 LYS 60 CG -0.0035 0.0038 -0.0086 2646 LYS 60 CD -0.0030 0.0027 -0.0071 2647 LYS 60 CE -0.0048 0.0024 -0.0064 2648 LYS 60 NZ -0.0044 0.0035 -0.0081 2649 LYS 61 N -0.0032 0.0062 -0.0101 2650 LYS 61 CA -0.0035 0.0066 -0.0110 2651 LYS 61 C -0.0047 0.0067 -0.0114 2652 LYS 61 O -0.0054 0.0068 -0.0118 2653 LYS 61 CB -0.0027 0.0070 -0.0118 2654 LYS 61 CG -0.0019 0.0071 -0.0116 2655 LYS 61 CD -0.0011 0.0074 -0.0122 2656 LYS 61 CE -0.0002 0.0074 -0.0119 2657 LYS 61 NZ 0.0006 0.0078 -0.0129 2658 VAL 62 N -0.0047 0.0066 -0.0112 2659 VAL 62 CA -0.0056 0.0067 -0.0115 2660 VAL 62 C -0.0067 0.0064 -0.0110 2661 VAL 62 O -0.0075 0.0065 -0.0114 2662 VAL 62 CB -0.0053 0.0066 -0.0114 2663 VAL 62 CG1 -0.0063 0.0066 -0.0114 2664 VAL 62 CG2 -0.0046 0.0070 -0.0121 2665 ALA 63 N -0.0063 0.0060 -0.0101 2666 ALA 63 CA -0.0072 0.0055 -0.0093 2667 ALA 63 C -0.0076 0.0056 -0.0097 2668 ALA 63 O -0.0085 0.0056 -0.0097 2669 ALA 63 CB -0.0068 0.0051 -0.0083 2670 ASP 64 N -0.0084 0.0054 -0.0068 2671 ASP 64 CA -0.0078 0.0053 -0.0063 2672 ASP 64 C -0.0071 0.0049 -0.0053 2673 ASP 64 O -0.0061 0.0050 -0.0050 2674 ASP 64 CB -0.0087 0.0050 -0.0063 2675 ASP 64 CG -0.0093 0.0054 -0.0073 2676 ASP 64 OD1 -0.0090 0.0060 -0.0080 2677 ASP 64 OD2 -0.0101 0.0050 -0.0070 2678 ALA 65 N -0.0076 0.0043 -0.0047 2679 ALA 65 CA -0.0069 0.0039 -0.0038 2680 ALA 65 C -0.0057 0.0043 -0.0038 2681 ALA 65 O -0.0047 0.0043 -0.0034 2682 ALA 65 CB -0.0075 0.0033 -0.0033 2683 LEU 66 N -0.0057 0.0050 -0.0048 2684 LEU 66 CA -0.0047 0.0055 -0.0051 2685 LEU 66 C -0.0039 0.0060 -0.0053 2686 LEU 66 O -0.0028 0.0061 -0.0050 2687 LEU 66 CB -0.0051 0.0060 -0.0059 2688 LEU 66 CG -0.0056 0.0054 -0.0054 2689 LEU 66 CD1 -0.0062 0.0058 -0.0063 2690 LEU 66 CD2 -0.0048 0.0053 -0.0048 2691 THR 67 N -0.0062 0.0057 -0.0045 2692 THR 67 CA -0.0048 0.0066 -0.0048 2693 THR 67 C -0.0038 0.0058 -0.0024 2694 THR 67 O -0.0017 0.0066 -0.0020 2695 THR 67 CB -0.0068 0.0064 -0.0063 2696 THR 67 OG1 -0.0075 0.0072 -0.0085 2697 THR 67 CG2 -0.0054 0.0071 -0.0063 2698 ASN 68 N -0.0053 0.0042 -0.0007 2699 ASN 68 CA -0.0042 0.0036 0.0015 2700 ASN 68 C -0.0022 0.0039 0.0027 2701 ASN 68 O -0.0001 0.0041 0.0043 2702 ASN 68 CB -0.0062 0.0020 0.0029 2703 ASN 68 CG -0.0053 0.0010 0.0056 2704 ASN 68 OD1 -0.0041 0.0012 0.0061 2705 ASN 68 ND2 -0.0063 -0.0005 0.0075 2706 ALA 69 N -0.0025 0.0039 0.0024 2707 ALA 69 CA -0.0003 0.0044 0.0035 2708 ALA 69 C 0.0020 0.0060 0.0025 2709 ALA 69 O 0.0038 0.0061 0.0040 2710 ALA 69 CB -0.0012 0.0042 0.0031 2711 VAL 70 N 0.0003 0.0061 0.0014 2712 VAL 70 CA 0.0030 0.0077 -0.0001 2713 VAL 70 C 0.0040 0.0075 0.0012 2714 VAL 70 O 0.0066 0.0082 0.0017 2715 VAL 70 CB 0.0020 0.0086 -0.0029 2716 VAL 70 CG1 0.0045 0.0100 -0.0041 2717 VAL 70 CG2 0.0013 0.0088 -0.0039 2718 ALA 71 N 0.0026 0.0070 0.0012 2719 ALA 71 CA 0.0032 0.0067 0.0024 2720 ALA 71 C 0.0049 0.0063 0.0045 2721 ALA 71 O 0.0065 0.0063 0.0058 2722 ALA 71 CB 0.0012 0.0062 0.0018 2723 HIS 72 N 0.0044 0.0053 0.0065 2724 HIS 72 CA 0.0053 0.0045 0.0088 2725 HIS 72 C 0.0068 0.0046 0.0099 2726 HIS 72 O 0.0068 0.0036 0.0122 2727 HIS 72 CB 0.0028 0.0026 0.0112 2728 HIS 72 CG 0.0016 0.0024 0.0107 2729 HIS 72 ND1 0.0023 0.0019 0.0123 2730 HIS 72 CD2 -0.0006 0.0025 0.0086 2731 HIS 72 CE1 0.0006 0.0017 0.0115 2732 HIS 72 NE2 -0.0015 0.0019 0.0092 2733 VAL 73 N 0.0078 0.0046 0.0075 2734 VAL 73 CA 0.0095 0.0048 0.0082 2735 VAL 73 C 0.0118 0.0043 0.0117 2736 VAL 73 O 0.0123 0.0041 0.0128 2737 VAL 73 CB 0.0115 0.0062 0.0049 2738 VAL 73 CG1 0.0131 0.0067 0.0045 2739 VAL 73 CG2 0.0119 0.0060 0.0058 2740 ASP 74 N 0.0126 0.0043 0.0124 2741 ASP 74 CA 0.0148 0.0039 0.0156 2742 ASP 74 C 0.0132 0.0026 0.0189 2743 ASP 74 O 0.0146 0.0024 0.0206 2744 ASP 74 CB 0.0169 0.0046 0.0149 2745 ASP 74 CG 0.0191 0.0057 0.0126 2746 ASP 74 OD1 0.0212 0.0065 0.0112 2747 ASP 74 OD2 0.0196 0.0064 0.0104 2748 ASP 75 N 0.0101 0.0022 0.0180 2749 ASP 75 CA 0.0077 0.0008 0.0212 2750 ASP 75 C 0.0046 0.0005 0.0195 2751 ASP 75 O 0.0021 -0.0003 0.0207 2752 ASP 75 CB 0.0072 0.0006 0.0214 2753 ASP 75 CG 0.0060 -0.0004 0.0242 2754 ASP 75 OD1 0.0069 -0.0010 0.0268 2755 ASP 75 OD2 0.0038 -0.0004 0.0222 2756 MET 76 N 0.0049 0.0025 0.0194 2757 MET 76 CA 0.0030 0.0007 0.0177 2758 MET 76 C 0.0018 -0.0006 0.0192 2759 MET 76 O -0.0003 -0.0026 0.0186 2760 MET 76 CB 0.0046 0.0022 0.0145 2761 MET 76 CG 0.0050 0.0027 0.0121 2762 MET 76 SD 0.0060 0.0037 0.0081 2763 MET 76 CE 0.0085 0.0062 0.0095 2764 PRO 77 N 0.0029 0.0006 0.0214 2765 PRO 77 CA 0.0011 -0.0012 0.0234 2766 PRO 77 C -0.0009 -0.0033 0.0249 2767 PRO 77 O -0.0029 -0.0052 0.0247 2768 PRO 77 CB 0.0031 0.0007 0.0257 2769 PRO 77 CG 0.0055 0.0031 0.0249 2770 PRO 77 CD 0.0051 0.0028 0.0230 2771 ASN 78 N -0.0011 -0.0034 0.0265 2772 ASN 78 CA -0.0031 -0.0054 0.0274 2773 ASN 78 C -0.0047 -0.0070 0.0258 2774 ASN 78 O -0.0069 -0.0091 0.0254 2775 ASN 78 CB -0.0024 -0.0047 0.0310 2776 ASN 78 CG -0.0049 -0.0072 0.0331 2777 ASN 78 OD1 -0.0063 -0.0086 0.0338 2778 ASN 78 ND2 -0.0057 -0.0080 0.0321 2779 ALA 79 N -0.0023 -0.0052 0.0231 2780 ALA 79 CA -0.0035 -0.0067 0.0211 2781 ALA 79 C -0.0049 -0.0083 0.0185 2782 ALA 79 O -0.0062 -0.0103 0.0176 2783 ALA 79 CB -0.0026 -0.0050 0.0187 2784 LEU 80 N -0.0041 -0.0070 0.0174 2785 LEU 80 CA -0.0053 -0.0083 0.0149 2786 LEU 80 C -0.0059 -0.0096 0.0164 2787 LEU 80 O -0.0067 -0.0105 0.0146 2788 LEU 80 CB -0.0042 -0.0063 0.0127 2789 LEU 80 CG -0.0032 -0.0044 0.0108 2790 LEU 80 CD1 -0.0023 -0.0025 0.0084 2791 LEU 80 CD2 -0.0047 -0.0064 0.0094 2792 SER 81 N -0.0059 -0.0102 0.0197 2793 SER 81 CA -0.0065 -0.0114 0.0212 2794 SER 81 C -0.0084 -0.0141 0.0198 2795 SER 81 O -0.0087 -0.0145 0.0192 2796 SER 81 CB -0.0065 -0.0119 0.0247 2797 SER 81 OG -0.0064 -0.0122 0.0261 2798 ALA 82 N -0.0074 -0.0166 0.0191 2799 ALA 82 CA -0.0086 -0.0198 0.0175 2800 ALA 82 C -0.0084 -0.0200 0.0137 2801 ALA 82 O -0.0089 -0.0216 0.0115 2802 ALA 82 CB -0.0099 -0.0228 0.0185 2803 LEU 83 N -0.0073 -0.0176 0.0111 2804 LEU 83 CA -0.0071 -0.0180 0.0072 2805 LEU 83 C -0.0059 -0.0151 0.0065 2806 LEU 83 O -0.0061 -0.0161 0.0035 2807 LEU 83 CB -0.0061 -0.0156 0.0058 2808 LEU 83 CG -0.0072 -0.0186 0.0045 2809 LEU 83 CD1 -0.0061 -0.0163 0.0024 2810 LEU 83 CD2 -0.0084 -0.0218 0.0024 2811 SER 84 N -0.0051 -0.0127 0.0087 2812 SER 84 CA -0.0043 -0.0107 0.0084 2813 SER 84 C -0.0052 -0.0128 0.0088 2814 SER 84 O -0.0050 -0.0128 0.0070 2815 SER 84 CB -0.0031 -0.0071 0.0111 2816 SER 84 OG -0.0028 -0.0064 0.0113 2817 ASP 85 N -0.0057 -0.0135 0.0107 2818 ASP 85 CA -0.0064 -0.0154 0.0108 2819 ASP 85 C -0.0066 -0.0174 0.0081 2820 ASP 85 O -0.0065 -0.0178 0.0070 2821 ASP 85 CB -0.0076 -0.0170 0.0136 2822 ASP 85 CG -0.0075 -0.0150 0.0167 2823 ASP 85 OD1 -0.0068 -0.0128 0.0172 2824 ASP 85 OD2 -0.0087 -0.0167 0.0190 2825 LEU 86 N -0.0069 -0.0188 0.0067 2826 LEU 86 CA -0.0072 -0.0210 0.0043 2827 LEU 86 C -0.0062 -0.0202 0.0012 2828 LEU 86 O -0.0062 -0.0210 -0.0004 2829 LEU 86 CB -0.0077 -0.0226 0.0035 2830 LEU 86 CG -0.0083 -0.0255 0.0012 2831 LEU 86 CD1 -0.0095 -0.0280 0.0022 2832 LEU 86 CD2 -0.0085 -0.0266 0.0004 2833 HIS 87 N -0.0050 -0.0174 0.0007 2834 HIS 87 CA -0.0040 -0.0163 -0.0024 2835 HIS 87 C -0.0033 -0.0145 -0.0021 2836 HIS 87 O -0.0030 -0.0150 -0.0044 2837 HIS 87 CB -0.0027 -0.0137 -0.0036 2838 HIS 87 CG -0.0030 -0.0151 -0.0047 2839 HIS 87 ND1 -0.0039 -0.0163 -0.0029 2840 HIS 87 CD2 -0.0027 -0.0161 -0.0079 2841 HIS 87 CE1 -0.0040 -0.0177 -0.0048 2842 HIS 87 NE2 -0.0033 -0.0173 -0.0074 2843 ALA 88 N -0.0033 -0.0129 0.0004 2844 ALA 88 CA -0.0029 -0.0115 0.0009 2845 ALA 88 C -0.0035 -0.0135 0.0005 2846 ALA 88 O -0.0029 -0.0125 -0.0002 2847 ALA 88 CB -0.0028 -0.0096 0.0037 2848 HIS 89 N -0.0048 -0.0155 0.0023 2849 HIS 89 CA -0.0059 -0.0177 0.0029 2850 HIS 89 C -0.0063 -0.0201 0.0009 2851 HIS 89 O -0.0066 -0.0210 0.0006 2852 HIS 89 CB -0.0068 -0.0178 0.0063 2853 HIS 89 CG -0.0060 -0.0148 0.0078 2854 HIS 89 ND1 -0.0051 -0.0128 0.0075 2855 HIS 89 CD2 -0.0063 -0.0142 0.0098 2856 HIS 89 CE1 -0.0049 -0.0111 0.0091 2857 HIS 89 NE2 -0.0054 -0.0113 0.0109 2858 LYS 90 N -0.0063 -0.0210 -0.0006 2859 LYS 90 CA -0.0070 -0.0235 -0.0019 2860 LYS 90 C -0.0060 -0.0233 -0.0054 2861 LYS 90 O -0.0057 -0.0239 -0.0073 2862 LYS 90 CB -0.0082 -0.0259 -0.0008 2863 LYS 90 CG -0.0084 -0.0281 -0.0035 2864 LYS 90 CD -0.0099 -0.0303 -0.0014 2865 LYS 90 CE -0.0105 -0.0334 -0.0038 2866 LYS 90 NZ -0.0123 -0.0354 -0.0002 2867 LEU 91 N -0.0040 -0.0193 -0.0068 2868 LEU 91 CA -0.0031 -0.0191 -0.0096 2869 LEU 91 C -0.0019 -0.0171 -0.0107 2870 LEU 91 O -0.0015 -0.0174 -0.0129 2871 LEU 91 CB -0.0030 -0.0187 -0.0094 2872 LEU 91 CG -0.0041 -0.0205 -0.0081 2873 LEU 91 CD1 -0.0038 -0.0198 -0.0082 2874 LEU 91 CD2 -0.0046 -0.0229 -0.0101 2875 ARG 92 N -0.0014 -0.0148 -0.0093 2876 ARG 92 CA -0.0004 -0.0129 -0.0099 2877 ARG 92 C 0.0008 -0.0120 -0.0127 2878 ARG 92 O 0.0013 -0.0117 -0.0143 2879 ARG 92 CB -0.0008 -0.0138 -0.0098 2880 ARG 92 CG -0.0014 -0.0134 -0.0068 2881 ARG 92 CD -0.0021 -0.0147 -0.0065 2882 ARG 92 NE -0.0021 -0.0137 -0.0046 2883 ARG 92 CZ -0.0039 -0.0182 -0.0051 2884 ARG 92 NH1 -0.0044 -0.0202 -0.0066 2885 ARG 92 NH2 -0.0035 -0.0166 -0.0040 2886 VAL 93 N 0.0010 -0.0117 -0.0130 2887 VAL 93 CA 0.0021 -0.0107 -0.0155 2888 VAL 93 C 0.0032 -0.0079 -0.0153 2889 VAL 93 O 0.0034 -0.0063 -0.0134 2890 VAL 93 CB 0.0019 -0.0110 -0.0152 2891 VAL 93 CG1 0.0030 -0.0098 -0.0175 2892 VAL 93 CG2 0.0007 -0.0137 -0.0151 2893 ASP 94 N 0.0023 -0.0073 -0.0167 2894 ASP 94 CA 0.0022 -0.0062 -0.0169 2895 ASP 94 C 0.0022 -0.0051 -0.0163 2896 ASP 94 O 0.0022 -0.0051 -0.0164 2897 ASP 94 CB 0.0021 -0.0059 -0.0183 2898 ASP 94 CG 0.0020 -0.0048 -0.0187 2899 ASP 94 OD1 0.0020 -0.0049 -0.0190 2900 ASP 94 OD2 0.0020 -0.0037 -0.0185 2901 PRO 95 N 0.0021 -0.0043 -0.0158 2902 PRO 95 CA 0.0021 -0.0032 -0.0151 2903 PRO 95 C 0.0020 -0.0025 -0.0158 2904 PRO 95 O 0.0020 -0.0021 -0.0152 2905 PRO 95 CB 0.0020 -0.0025 -0.0148 2906 PRO 95 CG 0.0021 -0.0033 -0.0147 2907 PRO 95 CD 0.0021 -0.0042 -0.0157 2908 VAL 96 N 0.0019 -0.0024 -0.0171 2909 VAL 96 CA 0.0018 -0.0017 -0.0177 2910 VAL 96 C 0.0019 -0.0022 -0.0175 2911 VAL 96 O 0.0018 -0.0016 -0.0175 2912 VAL 96 CB 0.0018 -0.0018 -0.0191 2913 VAL 96 CG1 0.0017 -0.0014 -0.0191 2914 VAL 96 CG2 0.0018 -0.0028 -0.0198 2915 ASN 97 N 0.0007 -0.0027 -0.0177 2916 ASN 97 CA 0.0011 -0.0034 -0.0169 2917 ASN 97 C 0.0009 -0.0028 -0.0150 2918 ASN 97 O 0.0011 -0.0030 -0.0142 2919 ASN 97 CB 0.0020 -0.0051 -0.0171 2920 ASN 97 CG 0.0023 -0.0058 -0.0192 2921 ASN 97 OD1 0.0022 -0.0057 -0.0203 2922 ASN 97 ND2 0.0025 -0.0062 -0.0199 2923 PHE 98 N 0.0007 -0.0023 -0.0140 2924 PHE 98 CA 0.0005 -0.0017 -0.0120 2925 PHE 98 C -0.0003 -0.0002 -0.0118 2926 PHE 98 O -0.0003 -0.0001 -0.0105 2927 PHE 98 CB 0.0004 -0.0014 -0.0110 2928 PHE 98 CG 0.0012 -0.0031 -0.0108 2929 PHE 98 CD1 0.0018 -0.0039 -0.0091 2930 PHE 98 CD2 0.0015 -0.0038 -0.0122 2931 PHE 98 CE1 0.0026 -0.0054 -0.0087 2932 PHE 98 CE2 0.0024 -0.0054 -0.0116 2933 PHE 98 CZ 0.0029 -0.0062 -0.0100 2934 LYS 99 N -0.0009 0.0008 -0.0133 2935 LYS 99 CA -0.0016 0.0023 -0.0132 2936 LYS 99 C -0.0014 0.0019 -0.0131 2937 LYS 99 O -0.0018 0.0027 -0.0127 2938 LYS 99 CB -0.0025 0.0037 -0.0147 2939 LYS 99 CG -0.0025 0.0038 -0.0157 2940 LYS 99 CD -0.0035 0.0054 -0.0173 2941 LYS 99 CE -0.0032 0.0047 -0.0192 2942 LYS 99 NZ -0.0035 0.0051 -0.0214 2943 LEU 100 N -0.0019 0.0026 -0.0137 2944 LEU 100 CA -0.0015 0.0023 -0.0136 2945 LEU 100 C -0.0011 0.0021 -0.0124 2946 LEU 100 O -0.0013 0.0023 -0.0117 2947 LEU 100 CB -0.0010 0.0018 -0.0146 2948 LEU 100 CG -0.0014 0.0020 -0.0158 2949 LEU 100 CD1 -0.0008 0.0014 -0.0167 2950 LEU 100 CD2 -0.0022 0.0027 -0.0159 2951 LEU 101 N -0.0005 0.0016 -0.0120 2952 LEU 101 CA -0.0000 0.0013 -0.0109 2953 LEU 101 C -0.0008 0.0020 -0.0099 2954 LEU 101 O -0.0006 0.0020 -0.0091 2955 LEU 101 CB 0.0007 0.0006 -0.0107 2956 LEU 101 CG 0.0012 0.0004 -0.0096 2957 LEU 101 CD1 0.0015 0.0001 -0.0092 2958 LEU 101 CD2 0.0019 -0.0003 -0.0096 2959 SER 102 N -0.0014 0.0025 -0.0102 2960 SER 102 CA -0.0020 0.0031 -0.0093 2961 SER 102 C -0.0025 0.0036 -0.0091 2962 SER 102 O -0.0027 0.0038 -0.0080 2963 SER 102 CB -0.0026 0.0036 -0.0098 2964 SER 102 OG -0.0022 0.0032 -0.0099 2965 HIS 103 N -0.0040 0.0026 -0.0081 2966 HIS 103 CA -0.0043 0.0025 -0.0076 2967 HIS 103 C -0.0039 0.0025 -0.0071 2968 HIS 103 O -0.0041 0.0024 -0.0066 2969 HIS 103 CB -0.0043 0.0025 -0.0078 2970 HIS 103 CG -0.0045 0.0025 -0.0073 2971 HIS 103 ND1 -0.0040 0.0025 -0.0070 2972 HIS 103 CD2 -0.0050 0.0023 -0.0070 2973 HIS 103 CE1 -0.0045 0.0024 -0.0066 2974 HIS 103 NE2 -0.0050 0.0023 -0.0066 2975 CYS 104 N -0.0033 0.0027 -0.0071 2976 CYS 104 CA -0.0029 0.0027 -0.0066 2977 CYS 104 C -0.0029 0.0026 -0.0064 2978 CYS 104 O -0.0028 0.0026 -0.0058 2979 CYS 104 CB -0.0023 0.0028 -0.0068 2980 CYS 104 SG -0.0023 0.0028 -0.0069 2981 LEU 105 N -0.0030 0.0027 -0.0068 2982 LEU 105 CA -0.0031 0.0026 -0.0065 2983 LEU 105 C -0.0036 0.0025 -0.0062 2984 LEU 105 O -0.0036 0.0024 -0.0057 2985 LEU 105 CB -0.0031 0.0027 -0.0070 2986 LEU 105 CG -0.0030 0.0027 -0.0070 2987 LEU 105 CD1 -0.0022 0.0029 -0.0070 2988 LEU 105 CD2 -0.0029 0.0028 -0.0079 2989 LEU 106 N -0.0044 0.0028 -0.0030 2990 LEU 106 CA -0.0042 0.0027 -0.0031 2991 LEU 106 C -0.0040 0.0024 -0.0034 2992 LEU 106 O -0.0040 0.0022 -0.0035 2993 LEU 106 CB -0.0040 0.0032 -0.0030 2994 LEU 106 CG -0.0042 0.0035 -0.0028 2995 LEU 106 CD1 -0.0039 0.0038 -0.0028 2996 LEU 106 CD2 -0.0045 0.0034 -0.0026 2997 VAL 107 N -0.0037 0.0023 -0.0036 2998 VAL 107 CA -0.0035 0.0021 -0.0038 2999 VAL 107 C -0.0037 0.0016 -0.0039 3000 VAL 107 O -0.0037 0.0013 -0.0041 3001 VAL 107 CB -0.0031 0.0021 -0.0040 3002 VAL 107 CG1 -0.0030 0.0017 -0.0042 3003 VAL 107 CG2 -0.0028 0.0025 -0.0039 3004 THR 108 N -0.0041 0.0015 -0.0037 3005 THR 108 CA -0.0044 0.0011 -0.0038 3006 THR 108 C -0.0046 0.0010 -0.0037 3007 THR 108 O -0.0046 0.0007 -0.0039 3008 THR 108 CB -0.0047 0.0012 -0.0036 3009 THR 108 OG1 -0.0045 0.0013 -0.0037 3010 THR 108 CG2 -0.0050 0.0008 -0.0036 3011 LEU 109 N -0.0045 0.0025 -0.0034 3012 LEU 109 CA -0.0051 0.0020 -0.0035 3013 LEU 109 C -0.0051 0.0015 -0.0030 3014 LEU 109 O -0.0054 0.0011 -0.0028 3015 LEU 109 CB -0.0056 0.0022 -0.0041 3016 LEU 109 CG -0.0056 0.0027 -0.0046 3017 LEU 109 CD1 -0.0060 0.0029 -0.0052 3018 LEU 109 CD2 -0.0055 0.0027 -0.0046 3019 ALA 110 N -0.0051 0.0014 -0.0029 3020 ALA 110 CA -0.0053 0.0008 -0.0024 3021 ALA 110 C -0.0050 0.0007 -0.0019 3022 ALA 110 O -0.0051 0.0001 -0.0015 3023 ALA 110 CB -0.0051 0.0009 -0.0024 3024 ALA 111 N -0.0043 0.0010 -0.0017 3025 ALA 111 CA -0.0039 0.0009 -0.0012 3026 ALA 111 C -0.0041 0.0007 -0.0012 3027 ALA 111 O -0.0038 0.0005 -0.0007 3028 ALA 111 CB -0.0033 0.0014 -0.0012 3029 HIS 112 N -0.0044 0.0022 -0.0036 3030 HIS 112 CA -0.0046 0.0021 -0.0036 3031 HIS 112 C -0.0047 0.0021 -0.0036 3032 HIS 112 O -0.0049 0.0019 -0.0036 3033 HIS 112 CB -0.0048 0.0021 -0.0035 3034 HIS 112 CG -0.0047 0.0020 -0.0036 3035 HIS 112 ND1 -0.0045 0.0022 -0.0036 3036 HIS 112 CD2 -0.0047 0.0018 -0.0036 3037 HIS 112 CE1 -0.0045 0.0021 -0.0036 3038 HIS 112 NE2 -0.0046 0.0018 -0.0037 3039 LEU 113 N -0.0047 0.0022 -0.0035 3040 LEU 113 CA -0.0048 0.0022 -0.0035 3041 LEU 113 C -0.0046 0.0022 -0.0035 3042 LEU 113 O -0.0047 0.0024 -0.0035 3043 LEU 113 CB -0.0049 0.0024 -0.0034 3044 LEU 113 CG -0.0051 0.0024 -0.0033 3045 LEU 113 CD1 -0.0052 0.0027 -0.0032 3046 LEU 113 CD2 -0.0052 0.0022 -0.0033 3047 PRO 114 N -0.0045 0.0021 -0.0036 3048 PRO 114 CA -0.0043 0.0020 -0.0037 3049 PRO 114 C -0.0045 0.0021 -0.0036 3050 PRO 114 O -0.0044 0.0023 -0.0036 3051 PRO 114 CB -0.0042 0.0019 -0.0038 3052 PRO 114 CG -0.0045 0.0017 -0.0037 3053 PRO 114 CD -0.0046 0.0019 -0.0037 3054 ALA 115 N -0.0034 0.0043 -0.0030 3055 ALA 115 CA -0.0030 0.0041 -0.0031 3056 ALA 115 C -0.0028 0.0040 -0.0029 3057 ALA 115 O -0.0024 0.0037 -0.0029 3058 ALA 115 CB -0.0028 0.0043 -0.0037 3059 GLU 116 N -0.0030 0.0040 -0.0027 3060 GLU 116 CA -0.0028 0.0038 -0.0025 3061 GLU 116 C -0.0029 0.0035 -0.0020 3062 GLU 116 O -0.0025 0.0033 -0.0019 3063 GLU 116 CB -0.0032 0.0039 -0.0024 3064 GLU 116 CG -0.0037 0.0044 -0.0029 3065 GLU 116 CD -0.0033 0.0043 -0.0032 3066 GLU 116 OE1 -0.0030 0.0042 -0.0032 3067 GLU 116 OE2 -0.0035 0.0046 -0.0036 3068 PHE 117 N -0.0031 0.0036 -0.0018 3069 PHE 117 CA -0.0031 0.0033 -0.0013 3070 PHE 117 C -0.0027 0.0031 -0.0012 3071 PHE 117 O -0.0028 0.0031 -0.0011 3072 PHE 117 CB -0.0035 0.0035 -0.0011 3073 PHE 117 CG -0.0037 0.0033 -0.0006 3074 PHE 117 CD1 -0.0038 0.0033 -0.0004 3075 PHE 117 CD2 -0.0037 0.0032 -0.0003 3076 PHE 117 CE1 -0.0039 0.0031 0.0001 3077 PHE 117 CE2 -0.0037 0.0030 0.0002 3078 PHE 117 CZ -0.0039 0.0030 0.0003 3079 THR 118 N -0.0008 0.0075 0.0031 3080 THR 118 CA -0.0005 0.0074 0.0031 3081 THR 118 C -0.0005 0.0068 0.0037 3082 THR 118 O -0.0008 0.0066 0.0040 3083 THR 118 CB 0.0003 0.0073 0.0029 3084 THR 118 OG1 0.0004 0.0078 0.0024 3085 THR 118 CG2 0.0006 0.0071 0.0032 3086 PRO 119 N -0.0002 0.0067 0.0038 3087 PRO 119 CA -0.0002 0.0062 0.0043 3088 PRO 119 C 0.0001 0.0059 0.0046 3089 PRO 119 O -0.0001 0.0055 0.0050 3090 PRO 119 CB 0.0001 0.0061 0.0043 3091 PRO 119 CG -0.0000 0.0066 0.0038 3092 PRO 119 CD -0.0001 0.0070 0.0034 3093 ALA 120 N 0.0008 0.0059 0.0043 3094 ALA 120 CA 0.0011 0.0056 0.0046 3095 ALA 120 C 0.0007 0.0056 0.0047 3096 ALA 120 O 0.0008 0.0052 0.0051 3097 ALA 120 CB 0.0018 0.0058 0.0043 3098 VAL 121 N 0.0014 0.0067 0.0014 3099 VAL 121 CA 0.0012 0.0069 0.0013 3100 VAL 121 C 0.0005 0.0064 0.0017 3101 VAL 121 O 0.0006 0.0059 0.0019 3102 VAL 121 CB 0.0012 0.0077 0.0010 3103 VAL 121 CG1 0.0009 0.0078 0.0011 3104 VAL 121 CG2 0.0022 0.0079 0.0007 3105 HIS 122 N -0.0002 0.0064 0.0018 3106 HIS 122 CA -0.0010 0.0060 0.0022 3107 HIS 122 C -0.0007 0.0051 0.0025 3108 HIS 122 O -0.0009 0.0047 0.0027 3109 HIS 122 CB -0.0015 0.0063 0.0022 3110 HIS 122 CG -0.0023 0.0060 0.0025 3111 HIS 122 ND1 -0.0030 0.0062 0.0026 3112 HIS 122 CD2 -0.0026 0.0053 0.0029 3113 HIS 122 CE1 -0.0036 0.0057 0.0029 3114 HIS 122 NE2 -0.0035 0.0053 0.0031 3115 ALA 123 N -0.0001 0.0048 0.0025 3116 ALA 123 CA 0.0001 0.0039 0.0028 3117 ALA 123 C 0.0006 0.0036 0.0028 3118 ALA 123 O 0.0004 0.0031 0.0031 3119 ALA 123 CB 0.0006 0.0037 0.0028 3120 SER 124 N 0.0031 0.0068 -0.0000 3121 SER 124 CA 0.0032 0.0065 0.0004 3122 SER 124 C 0.0022 0.0063 0.0004 3123 SER 124 O 0.0022 0.0058 0.0010 3124 SER 124 CB 0.0037 0.0070 -0.0001 3125 SER 124 OG 0.0046 0.0072 -0.0002 3126 LEU 125 N 0.0017 0.0066 -0.0001 3127 LEU 125 CA 0.0008 0.0064 -0.0000 3128 LEU 125 C 0.0003 0.0058 0.0005 3129 LEU 125 O -0.0001 0.0053 0.0010 3130 LEU 125 CB 0.0002 0.0068 -0.0007 3131 LEU 125 CG 0.0004 0.0073 -0.0012 3132 LEU 125 CD1 0.0000 0.0078 -0.0019 3133 LEU 125 CD2 0.0003 0.0070 -0.0009 3134 ASP 126 N 0.0004 0.0058 0.0005 3135 ASP 126 CA -0.0001 0.0053 0.0010 3136 ASP 126 C 0.0004 0.0048 0.0017 3137 ASP 126 O -0.0000 0.0043 0.0022 3138 ASP 126 CB 0.0000 0.0055 0.0008 3139 ASP 126 CG -0.0007 0.0050 0.0012 3140 ASP 126 OD1 -0.0013 0.0049 0.0012 3141 ASP 126 OD2 -0.0003 0.0047 0.0017 3142 LYS 127 N 0.0017 0.0047 0.0009 3143 LYS 127 CA 0.0023 0.0039 0.0013 3144 LYS 127 C 0.0023 0.0040 0.0013 3145 LYS 127 O 0.0023 0.0033 0.0018 3146 LYS 127 CB 0.0034 0.0039 0.0011 3147 LYS 127 CG 0.0035 0.0037 0.0013 3148 LYS 127 CD 0.0046 0.0037 0.0011 3149 LYS 127 CE 0.0053 0.0030 0.0014 3150 LYS 127 NZ 0.0063 0.0029 0.0012 3151 PHE 128 N 0.0024 0.0047 0.0008 3152 PHE 128 CA 0.0025 0.0047 0.0008 3153 PHE 128 C 0.0014 0.0046 0.0011 3154 PHE 128 O 0.0015 0.0040 0.0014 3155 PHE 128 CB 0.0027 0.0056 0.0002 3156 PHE 128 CG 0.0025 0.0058 0.0000 3157 PHE 128 CD1 0.0032 0.0054 0.0002 3158 PHE 128 CD2 0.0017 0.0063 -0.0002 3159 PHE 128 CE1 0.0029 0.0057 0.0000 3160 PHE 128 CE2 0.0015 0.0065 -0.0002 3161 PHE 128 CZ 0.0021 0.0062 -0.0001 3162 LEU 129 N 0.0006 0.0049 0.0010 3163 LEU 129 CA -0.0004 0.0047 0.0013 3164 LEU 129 C -0.0005 0.0038 0.0019 3165 LEU 129 O -0.0009 0.0033 0.0023 3166 LEU 129 CB -0.0012 0.0052 0.0011 3167 LEU 129 CG -0.0012 0.0060 0.0006 3168 LEU 129 CD1 -0.0018 0.0066 0.0003 3169 LEU 129 CD2 -0.0014 0.0063 0.0005 3170 ALA 130 N 0.0010 0.0054 0.0005 3171 ALA 130 CA 0.0012 0.0053 0.0010 3172 ALA 130 C 0.0012 0.0049 0.0022 3173 ALA 130 O 0.0010 0.0043 0.0027 3174 ALA 130 CB 0.0017 0.0062 0.0009 3175 SER 131 N 0.0017 0.0052 0.0027 3176 SER 131 CA 0.0018 0.0048 0.0041 3177 SER 131 C 0.0011 0.0037 0.0042 3178 SER 131 O 0.0010 0.0032 0.0050 3179 SER 131 CB 0.0024 0.0054 0.0046 3180 SER 131 OG 0.0030 0.0064 0.0044 3181 VAL 132 N 0.0007 0.0035 0.0035 3182 VAL 132 CA 0.0001 0.0025 0.0035 3183 VAL 132 C -0.0004 0.0018 0.0035 3184 VAL 132 O -0.0008 0.0010 0.0041 3185 VAL 132 CB -0.0003 0.0024 0.0028 3186 VAL 132 CG1 -0.0011 0.0013 0.0027 3187 VAL 132 CG2 0.0001 0.0027 0.0031 3188 SER 133 N 0.0007 0.0020 0.0003 3189 SER 133 CA 0.0009 0.0017 -0.0015 3190 SER 133 C 0.0009 0.0026 -0.0002 3191 SER 133 O 0.0007 0.0008 -0.0006 3192 SER 133 CB 0.0014 0.0031 -0.0041 3193 SER 133 OG 0.0013 0.0015 -0.0053 3194 THR 134 N 0.0010 0.0046 0.0009 3195 THR 134 CA 0.0010 0.0056 0.0024 3196 THR 134 C 0.0005 0.0039 0.0047 3197 THR 134 O 0.0004 0.0030 0.0048 3198 THR 134 CB 0.0013 0.0085 0.0035 3199 THR 134 OG1 0.0018 0.0100 0.0015 3200 THR 134 CG2 0.0013 0.0096 0.0052 3201 VAL 135 N 0.0003 0.0030 0.0060 3202 VAL 135 CA -0.0003 0.0013 0.0083 3203 VAL 135 C -0.0005 -0.0013 0.0068 3204 VAL 135 O -0.0007 -0.0023 0.0081 3205 VAL 135 CB -0.0005 0.0006 0.0102 3206 VAL 135 CG1 -0.0011 -0.0015 0.0121 3207 VAL 135 CG2 -0.0003 0.0031 0.0115 3208 LEU 136 N -0.0007 -0.0020 0.0039 3209 LEU 136 CA -0.0013 -0.0047 0.0029 3210 LEU 136 C -0.0011 -0.0045 0.0020 3211 LEU 136 O -0.0017 -0.0069 0.0015 3212 LEU 136 CB -0.0013 -0.0054 0.0006 3213 LEU 136 CG -0.0015 -0.0061 0.0018 3214 LEU 136 CD1 -0.0017 -0.0076 -0.0008 3215 LEU 136 CD2 -0.0023 -0.0083 0.0038 3216 THR 137 N -0.0004 -0.0020 0.0014 3217 THR 137 CA -0.0003 -0.0019 -0.0000 3218 THR 137 C -0.0002 -0.0006 0.0026 3219 THR 137 O -0.0001 -0.0004 0.0018 3220 THR 137 CB 0.0005 0.0001 -0.0027 3221 THR 137 OG1 0.0010 0.0024 -0.0019 3222 THR 137 CG2 0.0002 -0.0018 -0.0050 3223 SER 138 N -0.0002 0.0001 0.0049 3224 SER 138 CA -0.0001 0.0013 0.0072 3225 SER 138 C -0.0006 -0.0004 0.0081 3226 SER 138 O -0.0003 0.0012 0.0095 3227 SER 138 CB -0.0007 0.0003 0.0106 3228 SER 138 OG 0.0000 0.0027 0.0098 3229 LYS 139 N -0.0010 -0.0032 0.0064 3230 LYS 139 CA -0.0015 -0.0045 0.0077 3231 LYS 139 C -0.0014 -0.0053 0.0055 3232 LYS 139 O -0.0019 -0.0069 0.0059 3233 LYS 139 CB -0.0022 -0.0066 0.0088 3234 LYS 139 CG -0.0022 -0.0052 0.0114 3235 LYS 139 CD -0.0028 -0.0071 0.0122 3236 LYS 139 CE -0.0030 -0.0059 0.0156 3237 LYS 139 NZ -0.0036 -0.0086 0.0148 3238 TYR 140 N -0.0009 -0.0045 0.0033 3239 TYR 140 CA -0.0009 -0.0054 0.0013 3240 TYR 140 C -0.0008 -0.0049 0.0017 3241 TYR 140 O -0.0011 -0.0066 0.0005 3242 TYR 140 CB -0.0002 -0.0043 -0.0012 3243 TYR 140 CG -0.0004 -0.0058 -0.0028 3244 TYR 140 CD1 -0.0003 -0.0063 -0.0050 3245 TYR 140 CD2 -0.0008 -0.0067 -0.0016 3246 TYR 140 CE1 -0.0005 -0.0076 -0.0063 3247 TYR 140 CE2 -0.0011 -0.0081 -0.0029 3248 TYR 140 CZ -0.0009 -0.0084 -0.0052 3249 TYR 140 OH -0.0010 -0.0098 -0.0067 3250 ARG 141 N -0.0004 -0.0028 0.0029 3251 ARG 141 CA -0.0002 -0.0022 0.0032 3252 ARG 141 C -0.0002 -0.0007 0.0059 3253 ARG 141 O -0.0000 0.0001 0.0064 3254 ARG 141 CB 0.0003 -0.0013 0.0008 3255 ARG 141 CG 0.0011 0.0012 0.0003 3256 ARG 141 CD 0.0016 0.0017 -0.0022 3257 ARG 141 NE 0.0023 0.0041 -0.0030 3258 ARG 141 CZ 0.0030 0.0057 -0.0043 3259 ARG 141 NH1 0.0030 0.0051 -0.0056 3260 ARG 141 NH2 0.0036 0.0076 -0.0048 3261 ARG 141 OXT -0.0001 -0.0004 0.0062 3262 VAL 1 N 0.0108 -0.0053 -0.0175 3263 VAL 1 CA 0.0129 -0.0047 -0.0187 3264 VAL 1 C 0.0171 -0.0051 -0.0164 3265 VAL 1 O 0.0162 -0.0061 -0.0140 3266 VAL 1 CB 0.0118 -0.0053 -0.0173 3267 VAL 1 CG1 0.0086 -0.0048 -0.0195 3268 VAL 1 CG2 0.0107 -0.0062 -0.0149 3269 HIS 2 N 0.0177 -0.0046 -0.0176 3270 HIS 2 CA 0.0207 -0.0048 -0.0162 3271 HIS 2 C 0.0214 -0.0058 -0.0133 3272 HIS 2 O 0.0223 -0.0050 -0.0153 3273 HIS 2 CB 0.0242 -0.0035 -0.0189 3274 HIS 2 CG 0.0262 -0.0039 -0.0174 3275 HIS 2 ND1 0.0286 -0.0033 -0.0182 3276 HIS 2 CD2 0.0291 -0.0047 -0.0143 3277 HIS 2 CE1 0.0317 -0.0041 -0.0152 3278 HIS 2 NE2 0.0308 -0.0048 -0.0137 3279 LEU 3 N 0.0220 -0.0067 -0.0106 3280 LEU 3 CA 0.0216 -0.0075 -0.0087 3281 LEU 3 C 0.0255 -0.0071 -0.0086 3282 LEU 3 O 0.0261 -0.0081 -0.0056 3283 LEU 3 CB 0.0197 -0.0087 -0.0058 3284 LEU 3 CG 0.0164 -0.0083 -0.0076 3285 LEU 3 CD1 0.0144 -0.0095 -0.0050 3286 LEU 3 CD2 0.0161 -0.0081 -0.0084 3287 THR 4 N 0.0274 -0.0095 -0.0104 3288 THR 4 CA 0.0295 -0.0113 -0.0095 3289 THR 4 C 0.0296 -0.0128 -0.0075 3290 THR 4 O 0.0268 -0.0119 -0.0064 3291 THR 4 CB 0.0307 -0.0128 -0.0084 3292 THR 4 OG1 0.0288 -0.0134 -0.0059 3293 THR 4 CG2 0.0311 -0.0118 -0.0101 3294 PRO 5 N 0.0311 -0.0138 -0.0072 3295 PRO 5 CA 0.0293 -0.0145 -0.0047 3296 PRO 5 C 0.0285 -0.0159 -0.0020 3297 PRO 5 O 0.0269 -0.0162 -0.0001 3298 PRO 5 CB 0.0338 -0.0173 -0.0045 3299 PRO 5 CG 0.0351 -0.0167 -0.0063 3300 PRO 5 CD 0.0342 -0.0146 -0.0087 3301 GLU 6 N 0.0290 -0.0164 -0.0017 3302 GLU 6 CA 0.0286 -0.0178 0.0007 3303 GLU 6 C 0.0241 -0.0154 0.0010 3304 GLU 6 O 0.0232 -0.0161 0.0029 3305 GLU 6 CB 0.0292 -0.0186 0.0014 3306 GLU 6 CG 0.0305 -0.0184 0.0001 3307 GLU 6 CD 0.0344 -0.0195 -0.0017 3308 GLU 6 OE1 0.0347 -0.0186 -0.0032 3309 GLU 6 OE2 0.0331 -0.0157 -0.0061 3310 GLU 7 N 0.0218 -0.0115 -0.0022 3311 GLU 7 CA 0.0192 -0.0106 -0.0028 3312 GLU 7 C 0.0178 -0.0108 -0.0020 3313 GLU 7 O 0.0158 -0.0111 -0.0010 3314 GLU 7 CB 0.0191 -0.0090 -0.0053 3315 GLU 7 CG 0.0202 -0.0088 -0.0060 3316 GLU 7 CD 0.0207 -0.0076 -0.0081 3317 GLU 7 OE1 0.0197 -0.0070 -0.0086 3318 GLU 7 OE2 0.0207 -0.0065 -0.0098 3319 LYS 8 N 0.0190 -0.0108 -0.0025 3320 LYS 8 CA 0.0174 -0.0109 -0.0019 3321 LYS 8 C 0.0169 -0.0121 0.0002 3322 LYS 8 O 0.0149 -0.0125 0.0014 3323 LYS 8 CB 0.0200 -0.0107 -0.0029 3324 LYS 8 CG 0.0175 -0.0105 -0.0025 3325 LYS 8 CD 0.0185 -0.0101 -0.0034 3326 LYS 8 CE 0.0165 -0.0106 -0.0020 3327 LYS 8 NZ 0.0176 -0.0098 -0.0037 3328 SER 9 N 0.0185 -0.0133 0.0016 3329 SER 9 CA 0.0176 -0.0144 0.0038 3330 SER 9 C 0.0158 -0.0146 0.0045 3331 SER 9 O 0.0147 -0.0155 0.0063 3332 SER 9 CB 0.0200 -0.0156 0.0049 3333 SER 9 OG 0.0209 -0.0166 0.0062 3334 ALA 10 N 0.0151 -0.0142 0.0023 3335 ALA 10 CA 0.0135 -0.0145 0.0039 3336 ALA 10 C 0.0110 -0.0131 0.0034 3337 ALA 10 O 0.0095 -0.0135 0.0050 3338 ALA 10 CB 0.0134 -0.0137 0.0028 3339 VAL 11 N 0.0109 -0.0119 0.0018 3340 VAL 11 CA 0.0087 -0.0107 0.0014 3341 VAL 11 C 0.0079 -0.0111 0.0025 3342 VAL 11 O 0.0062 -0.0109 0.0034 3343 VAL 11 CB 0.0092 -0.0094 -0.0009 3344 VAL 11 CG1 0.0075 -0.0085 -0.0011 3345 VAL 11 CG2 0.0093 -0.0087 -0.0020 3346 THR 12 N 0.0097 -0.0116 0.0022 3347 THR 12 CA 0.0089 -0.0120 0.0032 3348 THR 12 C 0.0084 -0.0131 0.0052 3349 THR 12 O 0.0066 -0.0132 0.0065 3350 THR 12 CB 0.0116 -0.0128 0.0025 3351 THR 12 OG1 0.0111 -0.0112 0.0006 3352 THR 12 CG2 0.0109 -0.0134 0.0040 3353 ALA 13 N 0.0107 -0.0113 0.0047 3354 ALA 13 CA 0.0103 -0.0126 0.0062 3355 ALA 13 C 0.0079 -0.0127 0.0067 3356 ALA 13 O 0.0068 -0.0134 0.0077 3357 ALA 13 CB 0.0111 -0.0132 0.0068 3358 LEU 14 N 0.0072 -0.0114 0.0054 3359 LEU 14 CA 0.0053 -0.0114 0.0057 3360 LEU 14 C 0.0038 -0.0110 0.0055 3361 LEU 14 O 0.0022 -0.0116 0.0064 3362 LEU 14 CB 0.0050 -0.0102 0.0045 3363 LEU 14 CG 0.0028 -0.0101 0.0047 3364 LEU 14 CD1 0.0035 -0.0112 0.0058 3365 LEU 14 CD2 0.0024 -0.0089 0.0035 3366 TRP 15 N 0.0045 -0.0102 0.0046 3367 TRP 15 CA 0.0028 -0.0096 0.0042 3368 TRP 15 C 0.0028 -0.0109 0.0056 3369 TRP 15 O 0.0011 -0.0110 0.0059 3370 TRP 15 CB 0.0039 -0.0085 0.0028 3371 TRP 15 CG 0.0023 -0.0077 0.0022 3372 TRP 15 CD1 0.0020 -0.0078 0.0023 3373 TRP 15 CD2 0.0005 -0.0067 0.0014 3374 TRP 15 NE1 0.0004 -0.0069 0.0017 3375 TRP 15 CE2 -0.0007 -0.0061 0.0010 3376 TRP 15 CE3 0.0002 -0.0061 0.0009 3377 TRP 15 CZ2 -0.0025 -0.0052 0.0003 3378 TRP 15 CZ3 -0.0015 -0.0050 -0.0001 3379 TRP 15 CH2 -0.0027 -0.0047 -0.0002 3380 GLY 16 N 0.0051 -0.0096 0.0053 3381 GLY 16 CA 0.0045 -0.0103 0.0065 3382 GLY 16 C 0.0032 -0.0107 0.0079 3383 GLY 16 O 0.0024 -0.0110 0.0089 3384 LYS 17 N 0.0026 -0.0109 0.0086 3385 LYS 17 CA 0.0015 -0.0113 0.0099 3386 LYS 17 C -0.0004 -0.0104 0.0100 3387 LYS 17 O -0.0020 -0.0100 0.0106 3388 LYS 17 CB 0.0021 -0.0122 0.0106 3389 LYS 17 CG 0.0037 -0.0132 0.0108 3390 LYS 17 CD 0.0037 -0.0138 0.0115 3391 LYS 17 CE 0.0051 -0.0145 0.0114 3392 LYS 17 NZ 0.0038 -0.0155 0.0136 3393 VAL 18 N -0.0006 -0.0089 0.0083 3394 VAL 18 CA -0.0024 -0.0074 0.0076 3395 VAL 18 C -0.0038 -0.0072 0.0082 3396 VAL 18 O -0.0027 -0.0072 0.0076 3397 VAL 18 CB -0.0020 -0.0064 0.0062 3398 VAL 18 CG1 -0.0032 -0.0052 0.0053 3399 VAL 18 CG2 -0.0008 -0.0067 0.0056 3400 ASN 19 N -0.0043 -0.0044 0.0101 3401 ASN 19 CA -0.0058 -0.0030 0.0100 3402 ASN 19 C -0.0063 -0.0020 0.0085 3403 ASN 19 O -0.0071 -0.0015 0.0090 3404 ASN 19 CB -0.0068 -0.0029 0.0121 3405 ASN 19 CG -0.0081 -0.0018 0.0121 3406 ASN 19 OD1 -0.0094 -0.0003 0.0112 3407 ASN 19 ND2 -0.0095 -0.0014 0.0142 3408 VAL 20 N -0.0065 -0.0013 0.0071 3409 VAL 20 CA -0.0071 -0.0000 0.0054 3410 VAL 20 C -0.0083 0.0009 0.0058 3411 VAL 20 O -0.0091 0.0017 0.0054 3412 VAL 20 CB -0.0061 0.0002 0.0027 3413 VAL 20 CG1 -0.0049 -0.0011 0.0030 3414 VAL 20 CG2 -0.0074 0.0013 0.0027 3415 ASP 21 N -0.0095 0.0015 0.0068 3416 ASP 21 CA -0.0111 0.0024 0.0080 3417 ASP 21 C -0.0114 0.0024 0.0090 3418 ASP 21 O -0.0121 0.0033 0.0084 3419 ASP 21 CB -0.0121 0.0030 0.0091 3420 ASP 21 CG -0.0120 0.0034 0.0076 3421 ASP 21 OD1 -0.0117 0.0041 0.0053 3422 ASP 21 OD2 -0.0132 0.0043 0.0082 3423 GLU 22 N -0.0101 0.0018 0.0073 3424 GLU 22 CA -0.0103 0.0014 0.0084 3425 GLU 22 C -0.0097 0.0013 0.0074 3426 GLU 22 O -0.0100 0.0014 0.0080 3427 GLU 22 CB -0.0099 0.0004 0.0095 3428 GLU 22 CG -0.0095 -0.0000 0.0097 3429 GLU 22 CD -0.0094 -0.0014 0.0120 3430 GLU 22 OE1 -0.0084 -0.0025 0.0120 3431 GLU 22 OE2 -0.0102 -0.0007 0.0126 3432 VAL 23 N -0.0087 0.0004 0.0069 3433 VAL 23 CA -0.0081 0.0001 0.0062 3434 VAL 23 C -0.0086 0.0012 0.0051 3435 VAL 23 O -0.0087 0.0013 0.0050 3436 VAL 23 CB -0.0068 -0.0009 0.0054 3437 VAL 23 CG1 -0.0064 -0.0009 0.0045 3438 VAL 23 CG2 -0.0066 -0.0019 0.0068 3439 GLY 24 N -0.0089 0.0019 0.0043 3440 GLY 24 CA -0.0093 0.0029 0.0032 3441 GLY 24 C -0.0103 0.0036 0.0039 3442 GLY 24 O -0.0106 0.0041 0.0036 3443 GLY 25 N -0.0108 0.0052 0.0041 3444 GLY 25 CA -0.0106 0.0054 0.0045 3445 GLY 25 C -0.0099 0.0050 0.0046 3446 GLY 25 O -0.0097 0.0047 0.0045 3447 GLU 26 N -0.0094 0.0049 0.0049 3448 GLU 26 CA -0.0088 0.0045 0.0051 3449 GLU 26 C -0.0086 0.0037 0.0045 3450 GLU 26 O -0.0082 0.0035 0.0046 3451 GLU 26 CB -0.0082 0.0045 0.0055 3452 GLU 26 CG -0.0077 0.0051 0.0064 3453 GLU 26 CD -0.0074 0.0042 0.0058 3454 GLU 26 OE1 -0.0067 0.0043 0.0064 3455 GLU 26 OE2 -0.0072 0.0045 0.0063 3456 ALA 27 N -0.0089 0.0035 0.0041 3457 ALA 27 CA -0.0089 0.0028 0.0035 3458 ALA 27 C -0.0091 0.0027 0.0032 3459 ALA 27 O -0.0087 0.0022 0.0031 3460 ALA 27 CB -0.0091 0.0026 0.0031 3461 LEU 28 N -0.0094 0.0037 0.0043 3462 LEU 28 CA -0.0090 0.0031 0.0046 3463 LEU 28 C -0.0076 0.0030 0.0050 3464 LEU 28 O -0.0070 0.0021 0.0054 3465 LEU 28 CB -0.0094 0.0037 0.0043 3466 LEU 28 CG -0.0092 0.0028 0.0046 3467 LEU 28 CD1 -0.0097 0.0015 0.0048 3468 LEU 28 CD2 -0.0095 0.0035 0.0043 3469 GLY 29 N -0.0069 0.0042 0.0049 3470 GLY 29 CA -0.0056 0.0042 0.0053 3471 GLY 29 C -0.0050 0.0032 0.0057 3472 GLY 29 O -0.0041 0.0027 0.0061 3473 ARG 30 N -0.0056 0.0033 0.0055 3474 ARG 30 CA -0.0052 0.0024 0.0059 3475 ARG 30 C -0.0055 0.0010 0.0061 3476 ARG 30 O -0.0046 0.0003 0.0066 3477 ARG 30 CB -0.0057 0.0028 0.0056 3478 ARG 30 CG -0.0051 0.0039 0.0055 3479 ARG 30 CD -0.0056 0.0041 0.0053 3480 ARG 30 NE -0.0052 0.0051 0.0052 3481 ARG 30 CZ -0.0043 0.0053 0.0053 3482 ARG 30 NH1 -0.0039 0.0063 0.0052 3483 ARG 30 NH2 -0.0040 0.0043 0.0057 3484 LEU 31 N -0.0049 0.0013 0.0072 3485 LEU 31 CA -0.0052 0.0001 0.0072 3486 LEU 31 C -0.0043 -0.0005 0.0074 3487 LEU 31 O -0.0039 -0.0014 0.0074 3488 LEU 31 CB -0.0065 -0.0001 0.0069 3489 LEU 31 CG -0.0069 -0.0014 0.0069 3490 LEU 31 CD1 -0.0071 -0.0022 0.0069 3491 LEU 31 CD2 -0.0079 -0.0014 0.0067 3492 LEU 32 N -0.0043 0.0003 0.0073 3493 LEU 32 CA -0.0036 0.0000 0.0075 3494 LEU 32 C -0.0023 -0.0000 0.0077 3495 LEU 32 O -0.0016 -0.0007 0.0079 3496 LEU 32 CB -0.0038 0.0008 0.0074 3497 LEU 32 CG -0.0050 0.0006 0.0072 3498 LEU 32 CD1 -0.0052 0.0017 0.0071 3499 LEU 32 CD2 -0.0056 -0.0003 0.0071 3500 VAL 33 N -0.0019 0.0007 0.0078 3501 VAL 33 CA -0.0006 0.0008 0.0080 3502 VAL 33 C -0.0003 -0.0004 0.0081 3503 VAL 33 O 0.0006 -0.0009 0.0083 3504 VAL 33 CB -0.0004 0.0020 0.0080 3505 VAL 33 CG1 0.0009 0.0018 0.0083 3506 VAL 33 CG2 -0.0004 0.0029 0.0080 3507 VAL 34 N -0.0018 0.0003 0.0067 3508 VAL 34 CA -0.0018 0.0002 0.0067 3509 VAL 34 C -0.0018 -0.0008 0.0069 3510 VAL 34 O -0.0016 -0.0011 0.0069 3511 VAL 34 CB -0.0024 0.0010 0.0068 3512 VAL 34 CG1 -0.0026 0.0009 0.0069 3513 VAL 34 CG2 -0.0022 0.0020 0.0064 3514 TYR 35 N -0.0024 -0.0013 0.0074 3515 TYR 35 CA -0.0027 -0.0023 0.0077 3516 TYR 35 C -0.0024 -0.0029 0.0078 3517 TYR 35 O -0.0031 -0.0031 0.0081 3518 TYR 35 CB -0.0037 -0.0022 0.0082 3519 TYR 35 CG -0.0040 -0.0016 0.0082 3520 TYR 35 CD1 -0.0037 -0.0018 0.0081 3521 TYR 35 CD2 -0.0045 -0.0008 0.0082 3522 TYR 35 CE1 -0.0039 -0.0012 0.0081 3523 TYR 35 CE2 -0.0047 -0.0002 0.0082 3524 TYR 35 CZ -0.0045 -0.0004 0.0081 3525 TYR 35 OH -0.0047 0.0004 0.0080 3526 PRO 36 N -0.0015 -0.0032 0.0074 3527 PRO 36 CA -0.0013 -0.0036 0.0074 3528 PRO 36 C -0.0016 -0.0046 0.0078 3529 PRO 36 O -0.0016 -0.0048 0.0079 3530 PRO 36 CB -0.0002 -0.0036 0.0069 3531 PRO 36 CG -0.0000 -0.0035 0.0068 3532 PRO 36 CD -0.0008 -0.0030 0.0071 3533 TRP 37 N -0.0022 -0.0050 0.0093 3534 TRP 37 CA -0.0026 -0.0060 0.0098 3535 TRP 37 C -0.0035 -0.0060 0.0106 3536 TRP 37 O -0.0039 -0.0070 0.0110 3537 TRP 37 CB -0.0028 -0.0064 0.0100 3538 TRP 37 CG -0.0033 -0.0055 0.0102 3539 TRP 37 CD1 -0.0042 -0.0053 0.0110 3540 TRP 37 CD2 -0.0028 -0.0046 0.0097 3541 TRP 37 NE1 -0.0044 -0.0045 0.0110 3542 TRP 37 CE2 -0.0036 -0.0039 0.0103 3543 TRP 37 CE3 -0.0019 -0.0042 0.0089 3544 TRP 37 CZ2 -0.0034 -0.0029 0.0100 3545 TRP 37 CZ3 -0.0018 -0.0032 0.0086 3546 TRP 37 CH2 -0.0025 -0.0027 0.0092 3547 THR 38 N -0.0040 -0.0049 0.0108 3548 THR 38 CA -0.0048 -0.0046 0.0115 3549 THR 38 C -0.0047 -0.0052 0.0114 3550 THR 38 O -0.0054 -0.0053 0.0121 3551 THR 38 CB -0.0052 -0.0033 0.0116 3552 THR 38 OG1 -0.0046 -0.0025 0.0110 3553 THR 38 CG2 -0.0056 -0.0031 0.0119 3554 GLN 39 N -0.0038 -0.0052 0.0106 3555 GLN 39 CA -0.0036 -0.0056 0.0106 3556 GLN 39 C -0.0038 -0.0069 0.0109 3557 GLN 39 O -0.0039 -0.0074 0.0111 3558 GLN 39 CB -0.0025 -0.0057 0.0097 3559 GLN 39 CG -0.0024 -0.0044 0.0093 3560 GLN 39 CD -0.0014 -0.0044 0.0084 3561 GLN 39 OE1 -0.0007 -0.0054 0.0080 3562 GLN 39 NE2 -0.0009 -0.0033 0.0079 3563 ARG 40 N -0.0057 -0.0069 0.0122 3564 ARG 40 CA -0.0056 -0.0073 0.0125 3565 ARG 40 C -0.0060 -0.0070 0.0122 3566 ARG 40 O -0.0058 -0.0072 0.0124 3567 ARG 40 CB -0.0061 -0.0079 0.0128 3568 ARG 40 CG -0.0068 -0.0080 0.0128 3569 ARG 40 CD -0.0069 -0.0087 0.0133 3570 ARG 40 NE -0.0067 -0.0092 0.0136 3571 ARG 40 CZ -0.0069 -0.0093 0.0137 3572 ARG 40 NH1 -0.0075 -0.0092 0.0136 3573 ARG 40 NH2 -0.0066 -0.0099 0.0142 3574 PHE 41 N -0.0066 -0.0067 0.0119 3575 PHE 41 CA -0.0070 -0.0065 0.0117 3576 PHE 41 C -0.0066 -0.0058 0.0113 3577 PHE 41 O -0.0070 -0.0057 0.0111 3578 PHE 41 CB -0.0078 -0.0064 0.0115 3579 PHE 41 CG -0.0082 -0.0070 0.0119 3580 PHE 41 CD1 -0.0083 -0.0071 0.0119 3581 PHE 41 CD2 -0.0084 -0.0075 0.0122 3582 PHE 41 CE1 -0.0087 -0.0077 0.0123 3583 PHE 41 CE2 -0.0087 -0.0081 0.0125 3584 PHE 41 CZ -0.0088 -0.0081 0.0125 3585 PHE 42 N -0.0060 -0.0056 0.0112 3586 PHE 42 CA -0.0059 -0.0050 0.0108 3587 PHE 42 C -0.0051 -0.0048 0.0108 3588 PHE 42 O -0.0046 -0.0044 0.0106 3589 PHE 42 CB -0.0060 -0.0046 0.0105 3590 PHE 42 CG -0.0069 -0.0046 0.0103 3591 PHE 42 CD1 -0.0071 -0.0050 0.0106 3592 PHE 42 CD2 -0.0074 -0.0043 0.0100 3593 PHE 42 CE1 -0.0080 -0.0049 0.0104 3594 PHE 42 CE2 -0.0081 -0.0043 0.0100 3595 PHE 42 CZ -0.0084 -0.0047 0.0102 3596 GLU 43 N -0.0065 -0.0057 0.0102 3597 GLU 43 CA -0.0038 -0.0051 0.0108 3598 GLU 43 C -0.0041 -0.0019 0.0109 3599 GLU 43 O -0.0021 -0.0013 0.0114 3600 GLU 43 CB -0.0040 -0.0068 0.0107 3601 GLU 43 CG -0.0044 -0.0081 0.0105 3602 GLU 43 CD -0.0019 -0.0110 0.0109 3603 GLU 43 OE1 0.0014 -0.0099 0.0117 3604 GLU 43 OE2 -0.0007 -0.0143 0.0110 3605 SER 44 N -0.0070 -0.0014 0.0103 3606 SER 44 CA -0.0084 0.0011 0.0101 3607 SER 44 C -0.0074 0.0035 0.0105 3608 SER 44 O -0.0078 0.0062 0.0105 3609 SER 44 CB -0.0113 0.0013 0.0095 3610 SER 44 OG -0.0130 0.0019 0.0091 3611 PHE 45 N -0.0061 0.0041 0.0108 3612 PHE 45 CA -0.0056 0.0069 0.0111 3613 PHE 45 C -0.0024 0.0085 0.0119 3614 PHE 45 O -0.0027 0.0109 0.0120 3615 PHE 45 CB -0.0057 0.0059 0.0110 3616 PHE 45 CG -0.0087 0.0060 0.0103 3617 PHE 45 CD1 -0.0089 0.0065 0.0103 3618 PHE 45 CD2 -0.0111 0.0056 0.0098 3619 PHE 45 CE1 -0.0122 0.0065 0.0096 3620 PHE 45 CE2 -0.0138 0.0053 0.0092 3621 PHE 45 CZ -0.0146 0.0060 0.0090 3622 GLY 46 N -0.0021 0.0070 0.0102 3623 GLY 46 CA 0.0002 0.0084 0.0103 3624 GLY 46 C 0.0032 0.0077 0.0110 3625 GLY 46 O 0.0024 0.0050 0.0114 3626 ASP 47 N 0.0039 0.0099 0.0106 3627 ASP 47 CA 0.0072 0.0074 0.0117 3628 ASP 47 C 0.0051 0.0078 0.0113 3629 ASP 47 O 0.0041 0.0103 0.0106 3630 ASP 47 CB 0.0082 0.0112 0.0111 3631 ASP 47 CG 0.0110 0.0105 0.0117 3632 ASP 47 OD1 0.0118 0.0130 0.0114 3633 ASP 47 OD2 0.0117 0.0081 0.0123 3634 LEU 48 N 0.0057 0.0056 0.0118 3635 LEU 48 CA 0.0043 0.0045 0.0118 3636 LEU 48 C 0.0068 0.0038 0.0124 3637 LEU 48 O 0.0064 0.0017 0.0127 3638 LEU 48 CB 0.0028 0.0023 0.0120 3639 LEU 48 CG 0.0001 0.0037 0.0113 3640 LEU 48 CD1 -0.0021 0.0009 0.0115 3641 LEU 48 CD2 -0.0012 0.0061 0.0105 3642 SER 49 N 0.0104 0.0052 0.0124 3643 SER 49 CA 0.0125 0.0030 0.0137 3644 SER 49 C 0.0140 0.0042 0.0136 3645 SER 49 O 0.0139 0.0020 0.0144 3646 SER 49 CB 0.0156 0.0038 0.0141 3647 SER 49 OG 0.0166 0.0066 0.0132 3648 THR 50 N 0.0129 0.0066 0.0124 3649 THR 50 CA 0.0125 0.0060 0.0125 3650 THR 50 C 0.0101 0.0083 0.0111 3651 THR 50 O 0.0086 0.0093 0.0103 3652 THR 50 CB 0.0154 0.0095 0.0117 3653 THR 50 OG1 0.0148 0.0124 0.0105 3654 THR 50 CG2 0.0181 0.0085 0.0128 3655 PRO 51 N 0.0098 0.0085 0.0109 3656 PRO 51 CA 0.0076 0.0099 0.0099 3657 PRO 51 C 0.0068 0.0124 0.0087 3658 PRO 51 O 0.0044 0.0136 0.0077 3659 PRO 51 CB 0.0081 0.0098 0.0100 3660 PRO 51 CG 0.0094 0.0073 0.0113 3661 PRO 51 CD 0.0118 0.0070 0.0119 3662 ASP 52 N 0.0100 0.0140 0.0101 3663 ASP 52 CA 0.0089 0.0173 0.0095 3664 ASP 52 C 0.0074 0.0165 0.0095 3665 ASP 52 O 0.0059 0.0183 0.0091 3666 ASP 52 CB 0.0117 0.0182 0.0097 3667 ASP 52 CG 0.0139 0.0191 0.0098 3668 ASP 52 OD1 0.0123 0.0190 0.0096 3669 ASP 52 OD2 0.0156 0.0144 0.0106 3670 ALA 53 N 0.0085 0.0149 0.0098 3671 ALA 53 CA 0.0076 0.0143 0.0098 3672 ALA 53 C 0.0040 0.0135 0.0095 3673 ALA 53 O 0.0025 0.0142 0.0093 3674 ALA 53 CB 0.0083 0.0123 0.0101 3675 VAL 54 N 0.0038 0.0110 0.0098 3676 VAL 54 CA 0.0006 0.0104 0.0096 3677 VAL 54 C -0.0007 0.0126 0.0092 3678 VAL 54 O -0.0032 0.0135 0.0088 3679 VAL 54 CB 0.0010 0.0079 0.0100 3680 VAL 54 CG1 -0.0023 0.0076 0.0097 3681 VAL 54 CG2 0.0021 0.0058 0.0104 3682 MET 55 N 0.0005 0.0122 0.0106 3683 MET 55 CA -0.0010 0.0137 0.0099 3684 MET 55 C -0.0013 0.0168 0.0094 3685 MET 55 O -0.0031 0.0173 0.0087 3686 MET 55 CB 0.0003 0.0140 0.0104 3687 MET 55 CG 0.0003 0.0120 0.0106 3688 MET 55 SD -0.0019 0.0094 0.0101 3689 MET 55 CE -0.0036 0.0112 0.0093 3690 GLY 56 N 0.0006 0.0168 0.0101 3691 GLY 56 CA -0.0003 0.0192 0.0095 3692 GLY 56 C -0.0015 0.0190 0.0090 3693 GLY 56 O -0.0017 0.0206 0.0087 3694 ASN 57 N -0.0018 0.0170 0.0092 3695 ASN 57 CA -0.0027 0.0165 0.0089 3696 ASN 57 C -0.0051 0.0173 0.0079 3697 ASN 57 O -0.0069 0.0169 0.0073 3698 ASN 57 CB -0.0026 0.0140 0.0093 3699 ASN 57 CG -0.0037 0.0135 0.0090 3700 ASN 57 OD1 -0.0056 0.0140 0.0082 3701 ASN 57 ND2 -0.0024 0.0123 0.0096 3702 PRO 58 N -0.0061 0.0187 0.0103 3703 PRO 58 CA -0.0081 0.0197 0.0092 3704 PRO 58 C -0.0098 0.0179 0.0081 3705 PRO 58 O -0.0115 0.0181 0.0070 3706 PRO 58 CB -0.0086 0.0221 0.0091 3707 PRO 58 CG -0.0059 0.0208 0.0106 3708 PRO 58 CD -0.0057 0.0208 0.0108 3709 LYS 59 N -0.0096 0.0167 0.0081 3710 LYS 59 CA -0.0109 0.0152 0.0071 3711 LYS 59 C -0.0112 0.0128 0.0067 3712 LYS 59 O -0.0130 0.0123 0.0056 3713 LYS 59 CB -0.0109 0.0144 0.0071 3714 LYS 59 CG -0.0113 0.0161 0.0069 3715 LYS 59 CD -0.0107 0.0157 0.0073 3716 LYS 59 CE -0.0121 0.0160 0.0065 3717 LYS 59 NZ -0.0109 0.0182 0.0074 3718 VAL 60 N -0.0093 0.0125 0.0079 3719 VAL 60 CA -0.0093 0.0106 0.0077 3720 VAL 60 C -0.0106 0.0113 0.0070 3721 VAL 60 O -0.0117 0.0102 0.0062 3722 VAL 60 CB -0.0071 0.0096 0.0089 3723 VAL 60 CG1 -0.0073 0.0083 0.0088 3724 VAL 60 CG2 -0.0062 0.0088 0.0095 3725 LYS 61 N -0.0091 0.0119 0.0075 3726 LYS 61 CA -0.0100 0.0130 0.0073 3727 LYS 61 C -0.0120 0.0132 0.0061 3728 LYS 61 O -0.0128 0.0125 0.0052 3729 LYS 61 CB -0.0093 0.0151 0.0084 3730 LYS 61 CG -0.0071 0.0149 0.0098 3731 LYS 61 CD -0.0068 0.0168 0.0106 3732 LYS 61 CE -0.0047 0.0173 0.0121 3733 LYS 61 NZ -0.0045 0.0192 0.0129 3734 ALA 62 N -0.0130 0.0139 0.0056 3735 ALA 62 CA -0.0151 0.0142 0.0043 3736 ALA 62 C -0.0160 0.0122 0.0031 3737 ALA 62 O -0.0172 0.0120 0.0023 3738 ALA 62 CB -0.0157 0.0153 0.0043 3739 HIS 63 N -0.0149 0.0106 0.0033 3740 HIS 63 CA -0.0156 0.0085 0.0021 3741 HIS 63 C -0.0150 0.0074 0.0022 3742 HIS 63 O -0.0162 0.0063 0.0010 3743 HIS 63 CB -0.0151 0.0073 0.0021 3744 HIS 63 CG -0.0157 0.0050 0.0009 3745 HIS 63 ND1 -0.0175 0.0053 -0.0001 3746 HIS 63 CD2 -0.0146 0.0031 0.0010 3747 HIS 63 CE1 -0.0175 0.0028 -0.0010 3748 HIS 63 NE2 -0.0159 0.0021 -0.0002 3749 GLY 64 N -0.0131 0.0066 0.0029 3750 GLY 64 CA -0.0121 0.0053 0.0030 3751 GLY 64 C -0.0121 0.0051 0.0026 3752 GLY 64 O -0.0118 0.0042 0.0016 3753 LYS 65 N -0.0130 0.0066 0.0030 3754 LYS 65 CA -0.0133 0.0066 0.0024 3755 LYS 65 C -0.0140 0.0065 0.0006 3756 LYS 65 O -0.0138 0.0058 -0.0001 3757 LYS 65 CB -0.0141 0.0082 0.0034 3758 LYS 65 CG -0.0144 0.0081 0.0027 3759 LYS 65 CD -0.0156 0.0105 0.0040 3760 LYS 65 CE -0.0163 0.0103 0.0023 3761 LYS 65 NZ -0.0167 0.0117 0.0036 3762 LYS 66 N -0.0148 0.0070 -0.0003 3763 LYS 66 CA -0.0155 0.0070 -0.0021 3764 LYS 66 C -0.0145 0.0053 -0.0027 3765 LYS 66 O -0.0147 0.0048 -0.0041 3766 LYS 66 CB -0.0164 0.0078 -0.0025 3767 LYS 66 CG -0.0171 0.0081 -0.0035 3768 LYS 66 CD -0.0187 0.0101 -0.0036 3769 LYS 66 CE -0.0195 0.0098 -0.0061 3770 LYS 66 NZ -0.0206 0.0105 -0.0074 3771 VAL 67 N -0.0110 0.0031 -0.0029 3772 VAL 67 CA -0.0099 0.0026 -0.0039 3773 VAL 67 C -0.0088 0.0016 -0.0035 3774 VAL 67 O -0.0079 0.0012 -0.0044 3775 VAL 67 CB -0.0104 0.0029 -0.0037 3776 VAL 67 CG1 -0.0090 0.0020 -0.0040 3777 VAL 67 CG2 -0.0115 0.0039 -0.0042 3778 LEU 68 N -0.0087 0.0011 -0.0021 3779 LEU 68 CA -0.0076 0.0001 -0.0017 3780 LEU 68 C -0.0071 -0.0002 -0.0019 3781 LEU 68 O -0.0061 -0.0009 -0.0023 3782 LEU 68 CB -0.0073 -0.0006 -0.0001 3783 LEU 68 CG -0.0065 -0.0014 0.0003 3784 LEU 68 CD1 -0.0058 -0.0017 -0.0006 3785 LEU 68 CD2 -0.0066 -0.0018 0.0017 3786 GLY 69 N -0.0082 0.0006 -0.0018 3787 GLY 69 CA -0.0079 0.0006 -0.0024 3788 GLY 69 C -0.0073 0.0006 -0.0040 3789 GLY 69 O -0.0064 -0.0000 -0.0043 3790 ALA 70 N -0.0026 0.0004 -0.0061 3791 ALA 70 CA -0.0019 0.0007 -0.0074 3792 ALA 70 C -0.0013 -0.0004 -0.0074 3793 ALA 70 O -0.0002 -0.0009 -0.0084 3794 ALA 70 CB -0.0025 0.0020 -0.0076 3795 PHE 71 N -0.0017 -0.0008 -0.0064 3796 PHE 71 CA -0.0011 -0.0021 -0.0063 3797 PHE 71 C -0.0003 -0.0033 -0.0064 3798 PHE 71 O 0.0005 -0.0038 -0.0071 3799 PHE 71 CB -0.0019 -0.0022 -0.0051 3800 PHE 71 CG -0.0014 -0.0034 -0.0048 3801 PHE 71 CD1 -0.0014 -0.0029 -0.0052 3802 PHE 71 CD2 -0.0012 -0.0047 -0.0042 3803 PHE 71 CE1 -0.0009 -0.0040 -0.0050 3804 PHE 71 CE2 -0.0006 -0.0056 -0.0042 3805 PHE 71 CZ -0.0005 -0.0053 -0.0046 3806 SER 72 N -0.0007 -0.0035 -0.0058 3807 SER 72 CA -0.0001 -0.0045 -0.0058 3808 SER 72 C 0.0009 -0.0047 -0.0070 3809 SER 72 O 0.0019 -0.0057 -0.0076 3810 SER 72 CB -0.0002 -0.0054 -0.0049 3811 SER 72 OG -0.0011 -0.0050 -0.0039 3812 ASP 73 N 0.0021 -0.0040 -0.0073 3813 ASP 73 CA 0.0027 -0.0037 -0.0084 3814 ASP 73 C 0.0032 -0.0040 -0.0090 3815 ASP 73 O 0.0037 -0.0046 -0.0097 3816 ASP 73 CB 0.0029 -0.0023 -0.0091 3817 ASP 73 CG 0.0028 -0.0026 -0.0087 3818 ASP 73 OD1 0.0023 -0.0026 -0.0080 3819 ASP 73 OD2 0.0022 -0.0007 -0.0085 3820 GLY 74 N 0.0028 -0.0040 -0.0084 3821 GLY 74 CA 0.0032 -0.0044 -0.0088 3822 GLY 74 C 0.0034 -0.0057 -0.0087 3823 GLY 74 O 0.0038 -0.0063 -0.0093 3824 LEU 75 N 0.0030 -0.0063 -0.0079 3825 LEU 75 CA 0.0033 -0.0076 -0.0080 3826 LEU 75 C 0.0040 -0.0081 -0.0090 3827 LEU 75 O 0.0042 -0.0092 -0.0090 3828 LEU 75 CB 0.0027 -0.0082 -0.0068 3829 LEU 75 CG 0.0021 -0.0083 -0.0058 3830 LEU 75 CD1 0.0022 -0.0080 -0.0061 3831 LEU 75 CD2 0.0015 -0.0081 -0.0049 3832 ALA 76 N 0.0048 -0.0070 -0.0089 3833 ALA 76 CA 0.0046 -0.0069 -0.0098 3834 ALA 76 C 0.0046 -0.0070 -0.0100 3835 ALA 76 O 0.0046 -0.0073 -0.0106 3836 ALA 76 CB 0.0046 -0.0063 -0.0095 3837 HIS 77 N 0.0047 -0.0073 -0.0099 3838 HIS 77 CA 0.0046 -0.0075 -0.0104 3839 HIS 77 C 0.0047 -0.0079 -0.0103 3840 HIS 77 O 0.0047 -0.0079 -0.0104 3841 HIS 77 CB 0.0045 -0.0069 -0.0108 3842 HIS 77 CG 0.0044 -0.0064 -0.0110 3843 HIS 77 ND1 0.0044 -0.0059 -0.0106 3844 HIS 77 CD2 0.0043 -0.0064 -0.0117 3845 HIS 77 CE1 0.0042 -0.0054 -0.0110 3846 HIS 77 NE2 0.0042 -0.0058 -0.0114 3847 LEU 78 N 0.0049 -0.0085 -0.0099 3848 LEU 78 CA 0.0050 -0.0090 -0.0098 3849 LEU 78 C 0.0050 -0.0093 -0.0100 3850 LEU 78 O 0.0051 -0.0096 -0.0100 3851 LEU 78 CB 0.0051 -0.0094 -0.0092 3852 LEU 78 CG 0.0052 -0.0092 -0.0084 3853 LEU 78 CD1 0.0053 -0.0096 -0.0082 3854 LEU 78 CD2 0.0052 -0.0090 -0.0081 3855 ASP 79 N 0.0040 -0.0094 -0.0085 3856 ASP 79 CA 0.0043 -0.0089 -0.0087 3857 ASP 79 C 0.0045 -0.0084 -0.0089 3858 ASP 79 O 0.0046 -0.0080 -0.0091 3859 ASP 79 CB 0.0049 -0.0092 -0.0086 3860 ASP 79 CG 0.0049 -0.0097 -0.0084 3861 ASP 79 OD1 0.0058 -0.0100 -0.0083 3862 ASP 79 OD2 0.0051 -0.0094 -0.0085 3863 ASN 80 N 0.0040 -0.0086 -0.0088 3864 ASN 80 CA 0.0039 -0.0080 -0.0091 3865 ASN 80 C 0.0033 -0.0081 -0.0090 3866 ASN 80 O 0.0032 -0.0080 -0.0090 3867 ASN 80 CB 0.0042 -0.0081 -0.0091 3868 ASN 80 CG 0.0045 -0.0081 -0.0091 3869 ASN 80 OD1 0.0046 -0.0075 -0.0094 3870 ASN 80 ND2 0.0044 -0.0086 -0.0089 3871 LEU 81 N 0.0030 -0.0079 -0.0091 3872 LEU 81 CA 0.0023 -0.0079 -0.0090 3873 LEU 81 C 0.0022 -0.0074 -0.0093 3874 LEU 81 O 0.0019 -0.0074 -0.0092 3875 LEU 81 CB 0.0020 -0.0078 -0.0090 3876 LEU 81 CG 0.0019 -0.0083 -0.0088 3877 LEU 81 CD1 0.0017 -0.0083 -0.0088 3878 LEU 81 CD2 0.0017 -0.0088 -0.0086 3879 LYS 82 N 0.0012 -0.0075 -0.0031 3880 LYS 82 CA 0.0026 -0.0072 -0.0017 3881 LYS 82 C 0.0042 -0.0071 -0.0024 3882 LYS 82 O 0.0057 -0.0069 -0.0020 3883 LYS 82 CB 0.0016 -0.0071 0.0000 3884 LYS 82 CG 0.0008 -0.0070 0.0011 3885 LYS 82 CD -0.0002 -0.0069 0.0032 3886 LYS 82 CE -0.0019 -0.0071 0.0030 3887 LYS 82 NZ -0.0030 -0.0072 0.0033 3888 GLY 83 N 0.0042 -0.0072 -0.0036 3889 GLY 83 CA 0.0057 -0.0071 -0.0039 3890 GLY 83 C 0.0066 -0.0072 -0.0054 3891 GLY 83 O 0.0086 -0.0069 -0.0052 3892 THR 84 N 0.0059 -0.0074 -0.0066 3893 THR 84 CA 0.0069 -0.0074 -0.0078 3894 THR 84 C 0.0084 -0.0071 -0.0067 3895 THR 84 O 0.0095 -0.0071 -0.0078 3896 THR 84 CB 0.0057 -0.0077 -0.0093 3897 THR 84 OG1 0.0048 -0.0079 -0.0099 3898 THR 84 CG2 0.0064 -0.0078 -0.0108 3899 PHE 85 N 0.0067 -0.0068 -0.0039 3900 PHE 85 CA 0.0079 -0.0072 -0.0040 3901 PHE 85 C 0.0097 -0.0070 -0.0012 3902 PHE 85 O 0.0107 -0.0070 -0.0002 3903 PHE 85 CB 0.0056 -0.0065 -0.0040 3904 PHE 85 CG 0.0049 -0.0071 -0.0071 3905 PHE 85 CD1 0.0022 -0.0066 -0.0080 3906 PHE 85 CD2 0.0063 -0.0080 -0.0088 3907 PHE 85 CE1 0.0011 -0.0070 -0.0109 3908 PHE 85 CE2 0.0052 -0.0084 -0.0118 3909 PHE 85 CZ 0.0027 -0.0081 -0.0131 3910 ALA 86 N 0.0102 -0.0066 0.0008 3911 ALA 86 CA 0.0114 -0.0061 0.0039 3912 ALA 86 C 0.0145 -0.0071 0.0035 3913 ALA 86 O 0.0151 -0.0069 0.0051 3914 ALA 86 CB 0.0124 -0.0060 0.0054 3915 THR 87 N 0.0159 -0.0080 0.0016 3916 THR 87 CA 0.0186 -0.0088 0.0016 3917 THR 87 C 0.0185 -0.0091 0.0007 3918 THR 87 O 0.0200 -0.0092 0.0019 3919 THR 87 CB 0.0204 -0.0099 -0.0006 3920 THR 87 OG1 0.0206 -0.0097 0.0005 3921 THR 87 CG2 0.0232 -0.0107 -0.0003 3922 LEU 88 N 0.0161 -0.0097 -0.0001 3923 LEU 88 CA 0.0153 -0.0098 -0.0005 3924 LEU 88 C 0.0136 -0.0087 0.0017 3925 LEU 88 O 0.0139 -0.0084 0.0025 3926 LEU 88 CB 0.0134 -0.0107 -0.0029 3927 LEU 88 CG 0.0151 -0.0119 -0.0053 3928 LEU 88 CD1 0.0129 -0.0126 -0.0072 3929 LEU 88 CD2 0.0169 -0.0121 -0.0053 3930 SER 89 N 0.0120 -0.0080 0.0030 3931 SER 89 CA 0.0107 -0.0069 0.0053 3932 SER 89 C 0.0126 -0.0062 0.0073 3933 SER 89 O 0.0127 -0.0056 0.0087 3934 SER 89 CB 0.0092 -0.0062 0.0066 3935 SER 89 OG 0.0077 -0.0052 0.0086 3936 GLU 90 N 0.0149 -0.0061 0.0080 3937 GLU 90 CA 0.0173 -0.0056 0.0094 3938 GLU 90 C 0.0188 -0.0061 0.0087 3939 GLU 90 O 0.0193 -0.0055 0.0102 3940 GLU 90 CB 0.0190 -0.0057 0.0097 3941 GLU 90 CG 0.0206 -0.0048 0.0120 3942 GLU 90 CD 0.0226 -0.0048 0.0123 3943 GLU 90 OE1 0.0251 -0.0054 0.0114 3944 GLU 90 OE2 0.0215 -0.0056 0.0103 3945 LEU 91 N 0.0176 -0.0074 0.0072 3946 LEU 91 CA 0.0185 -0.0078 0.0066 3947 LEU 91 C 0.0167 -0.0074 0.0070 3948 LEU 91 O 0.0173 -0.0071 0.0076 3949 LEU 91 CB 0.0190 -0.0096 0.0036 3950 LEU 91 CG 0.0196 -0.0107 0.0019 3951 LEU 91 CD1 0.0229 -0.0104 0.0029 3952 LEU 91 CD2 0.0195 -0.0123 -0.0008 3953 HIS 92 N 0.0136 -0.0075 0.0063 3954 HIS 92 CA 0.0116 -0.0073 0.0061 3955 HIS 92 C 0.0110 -0.0054 0.0094 3956 HIS 92 O 0.0106 -0.0051 0.0099 3957 HIS 92 CB 0.0088 -0.0074 0.0054 3958 HIS 92 CG 0.0083 -0.0091 0.0024 3959 HIS 92 ND1 0.0098 -0.0102 0.0008 3960 HIS 92 CD2 0.0072 -0.0101 0.0005 3961 HIS 92 CE1 0.0089 -0.0115 -0.0016 3962 HIS 92 NE2 0.0080 -0.0117 -0.0021 3963 CYS 93 N 0.0117 -0.0045 0.0111 3964 CYS 93 CA 0.0119 -0.0028 0.0140 3965 CYS 93 C 0.0147 -0.0026 0.0148 3966 CYS 93 O 0.0143 -0.0020 0.0157 3967 CYS 93 CB 0.0111 -0.0021 0.0150 3968 CYS 93 SG 0.0111 0.0001 0.0187 3969 ASP 94 N 0.0166 -0.0021 0.0148 3970 ASP 94 CA 0.0199 -0.0006 0.0166 3971 ASP 94 C 0.0207 -0.0018 0.0152 3972 ASP 94 O 0.0221 -0.0007 0.0165 3973 ASP 94 CB 0.0225 -0.0009 0.0163 3974 ASP 94 CG 0.0222 0.0008 0.0183 3975 ASP 94 OD1 0.0198 0.0017 0.0192 3976 ASP 94 OD2 0.0248 -0.0004 0.0169 3977 LYS 95 N 0.0206 -0.0040 0.0127 3978 LYS 95 CA 0.0219 -0.0053 0.0113 3979 LYS 95 C 0.0193 -0.0056 0.0109 3980 LYS 95 O 0.0188 -0.0053 0.0112 3981 LYS 95 CB 0.0240 -0.0074 0.0088 3982 LYS 95 CG 0.0267 -0.0073 0.0090 3983 LYS 95 CD 0.0299 -0.0050 0.0118 3984 LYS 95 CE 0.0331 -0.0039 0.0131 3985 LYS 95 NZ 0.0347 -0.0019 0.0153 3986 LEU 96 N 0.0156 -0.0066 0.0096 3987 LEU 96 CA 0.0130 -0.0074 0.0087 3988 LEU 96 C 0.0101 -0.0054 0.0109 3989 LEU 96 O 0.0082 -0.0059 0.0103 3990 LEU 96 CB 0.0116 -0.0097 0.0061 3991 LEU 96 CG 0.0140 -0.0117 0.0038 3992 LEU 96 CD1 0.0121 -0.0138 0.0013 3993 LEU 96 CD2 0.0156 -0.0123 0.0031 3994 HIS 97 N 0.0074 -0.0036 0.0117 3995 HIS 97 CA 0.0062 -0.0023 0.0127 3996 HIS 97 C 0.0042 -0.0030 0.0125 3997 HIS 97 O 0.0028 -0.0026 0.0130 3998 HIS 97 CB 0.0060 -0.0013 0.0135 3999 HIS 97 CG 0.0080 -0.0004 0.0138 4000 HIS 97 ND1 0.0090 0.0002 0.0141 4001 HIS 97 CD2 0.0089 -0.0009 0.0134 4002 HIS 97 CE1 0.0108 0.0008 0.0143 4003 HIS 97 NE2 0.0104 0.0001 0.0139 4004 VAL 98 N 0.0041 -0.0043 0.0116 4005 VAL 98 CA 0.0023 -0.0051 0.0113 4006 VAL 98 C 0.0013 -0.0044 0.0119 4007 VAL 98 O 0.0021 -0.0045 0.0117 4008 VAL 98 CB 0.0025 -0.0067 0.0102 4009 VAL 98 CG1 0.0008 -0.0075 0.0098 4010 VAL 98 CG2 0.0033 -0.0073 0.0096 4011 ASP 99 N -0.0003 -0.0039 0.0125 4012 ASP 99 CA -0.0014 -0.0034 0.0130 4013 ASP 99 C -0.0016 -0.0047 0.0121 4014 ASP 99 O -0.0024 -0.0059 0.0114 4015 ASP 99 CB -0.0031 -0.0029 0.0136 4016 ASP 99 CG -0.0045 -0.0022 0.0142 4017 ASP 99 OD1 -0.0057 -0.0017 0.0148 4018 ASP 99 OD2 -0.0040 -0.0023 0.0141 4019 PRO 100 N -0.0012 -0.0031 0.0110 4020 PRO 100 CA -0.0017 -0.0033 0.0105 4021 PRO 100 C -0.0027 -0.0034 0.0102 4022 PRO 100 O -0.0029 -0.0038 0.0096 4023 PRO 100 CB -0.0013 -0.0031 0.0109 4024 PRO 100 CG -0.0011 -0.0026 0.0117 4025 PRO 100 CD -0.0009 -0.0026 0.0117 4026 GLU 101 N -0.0032 -0.0031 0.0106 4027 GLU 101 CA -0.0041 -0.0032 0.0103 4028 GLU 101 C -0.0041 -0.0037 0.0094 4029 GLU 101 O -0.0048 -0.0040 0.0089 4030 GLU 101 CB -0.0045 -0.0028 0.0108 4031 GLU 101 CG -0.0056 -0.0030 0.0104 4032 GLU 101 CD -0.0066 -0.0029 0.0103 4033 GLU 101 OE1 -0.0062 -0.0025 0.0110 4034 GLU 101 OE2 -0.0071 -0.0031 0.0098 4035 ASN 102 N -0.0033 -0.0040 0.0092 4036 ASN 102 CA -0.0032 -0.0046 0.0084 4037 ASN 102 C -0.0031 -0.0049 0.0079 4038 ASN 102 O -0.0036 -0.0054 0.0071 4039 ASN 102 CB -0.0022 -0.0047 0.0083 4040 ASN 102 CG -0.0023 -0.0044 0.0087 4041 ASN 102 OD1 -0.0027 -0.0045 0.0085 4042 ASN 102 ND2 -0.0017 -0.0040 0.0095 4043 PHE 103 N -0.0029 -0.0042 0.0039 4044 PHE 103 CA -0.0033 -0.0044 0.0030 4045 PHE 103 C -0.0048 -0.0045 0.0026 4046 PHE 103 O -0.0052 -0.0047 0.0015 4047 PHE 103 CB -0.0033 -0.0043 0.0033 4048 PHE 103 CG -0.0019 -0.0042 0.0038 4049 PHE 103 CD1 -0.0008 -0.0043 0.0031 4050 PHE 103 CD2 -0.0017 -0.0040 0.0048 4051 PHE 103 CE1 0.0004 -0.0042 0.0033 4052 PHE 103 CE2 -0.0004 -0.0039 0.0050 4053 PHE 103 CZ 0.0006 -0.0040 0.0044 4054 ARG 104 N -0.0055 -0.0043 0.0036 4055 ARG 104 CA -0.0068 -0.0044 0.0035 4056 ARG 104 C -0.0070 -0.0045 0.0027 4057 ARG 104 O -0.0078 -0.0047 0.0019 4058 ARG 104 CB -0.0076 -0.0042 0.0048 4059 ARG 104 CG -0.0074 -0.0041 0.0053 4060 ARG 104 CD -0.0080 -0.0038 0.0067 4061 ARG 104 NE -0.0078 -0.0038 0.0068 4062 ARG 104 CZ -0.0079 -0.0033 0.0092 4063 ARG 104 NH1 -0.0082 -0.0034 0.0090 4064 ARG 104 NH2 -0.0087 -0.0034 0.0089 4065 LEU 105 N -0.0062 -0.0044 0.0031 4066 LEU 105 CA -0.0063 -0.0046 0.0024 4067 LEU 105 C -0.0060 -0.0048 0.0010 4068 LEU 105 O -0.0067 -0.0050 0.0002 4069 LEU 105 CB -0.0055 -0.0044 0.0030 4070 LEU 105 CG -0.0057 -0.0042 0.0043 4071 LEU 105 CD1 -0.0048 -0.0041 0.0049 4072 LEU 105 CD2 -0.0070 -0.0042 0.0044 4073 LEU 106 N -0.0064 -0.0028 -0.0016 4074 LEU 106 CA -0.0064 -0.0027 -0.0017 4075 LEU 106 C -0.0065 -0.0025 -0.0017 4076 LEU 106 O -0.0065 -0.0023 -0.0018 4077 LEU 106 CB -0.0064 -0.0028 -0.0016 4078 LEU 106 CG -0.0064 -0.0027 -0.0017 4079 LEU 106 CD1 -0.0062 -0.0026 -0.0018 4080 LEU 106 CD2 -0.0064 -0.0028 -0.0015 4081 GLY 107 N -0.0067 -0.0024 -0.0015 4082 GLY 107 CA -0.0069 -0.0023 -0.0015 4083 GLY 107 C -0.0068 -0.0021 -0.0017 4084 GLY 107 O -0.0069 -0.0020 -0.0018 4085 ASN 108 N -0.0068 -0.0022 -0.0017 4086 ASN 108 CA -0.0067 -0.0021 -0.0018 4087 ASN 108 C -0.0066 -0.0020 -0.0020 4088 ASN 108 O -0.0066 -0.0018 -0.0022 4089 ASN 108 CB -0.0067 -0.0021 -0.0018 4090 ASN 108 CG -0.0069 -0.0021 -0.0016 4091 ASN 108 OD1 -0.0070 -0.0020 -0.0016 4092 ASN 108 ND2 -0.0068 -0.0022 -0.0016 4093 VAL 109 N -0.0060 -0.0010 -0.0003 4094 VAL 109 CA -0.0061 -0.0010 0.0001 4095 VAL 109 C -0.0061 -0.0011 0.0001 4096 VAL 109 O -0.0061 -0.0013 0.0004 4097 VAL 109 CB -0.0064 -0.0005 0.0001 4098 VAL 109 CG1 -0.0066 -0.0003 0.0005 4099 VAL 109 CG2 -0.0065 -0.0003 0.0003 4100 LEU 110 N -0.0060 -0.0010 -0.0003 4101 LEU 110 CA -0.0058 -0.0012 -0.0004 4102 LEU 110 C -0.0057 -0.0017 -0.0002 4103 LEU 110 O -0.0056 -0.0019 -0.0000 4104 LEU 110 CB -0.0058 -0.0011 -0.0008 4105 LEU 110 CG -0.0056 -0.0013 -0.0010 4106 LEU 110 CD1 -0.0058 -0.0011 -0.0007 4107 LEU 110 CD2 -0.0055 -0.0011 -0.0015 4108 VAL 111 N -0.0055 -0.0019 -0.0004 4109 VAL 111 CA -0.0052 -0.0024 -0.0002 4110 VAL 111 C -0.0054 -0.0025 0.0003 4111 VAL 111 O -0.0053 -0.0028 0.0005 4112 VAL 111 CB -0.0051 -0.0026 -0.0005 4113 VAL 111 CG1 -0.0049 -0.0031 -0.0002 4114 VAL 111 CG2 -0.0049 -0.0026 -0.0010 4115 CYS 112 N -0.0047 -0.0002 -0.0007 4116 CYS 112 CA -0.0052 -0.0004 -0.0000 4117 CYS 112 C -0.0056 -0.0009 0.0011 4118 CYS 112 O -0.0055 -0.0013 0.0018 4119 CYS 112 CB -0.0061 0.0000 -0.0003 4120 CYS 112 SG -0.0055 0.0003 -0.0011 4121 VAL 113 N -0.0060 -0.0006 0.0009 4122 VAL 113 CA -0.0066 -0.0009 0.0017 4123 VAL 113 C -0.0058 -0.0014 0.0023 4124 VAL 113 O -0.0059 -0.0019 0.0031 4125 VAL 113 CB -0.0072 -0.0005 0.0014 4126 VAL 113 CG1 -0.0075 -0.0008 0.0022 4127 VAL 113 CG2 -0.0083 0.0000 0.0011 4128 LEU 114 N -0.0049 -0.0015 0.0018 4129 LEU 114 CA -0.0041 -0.0020 0.0023 4130 LEU 114 C -0.0037 -0.0024 0.0029 4131 LEU 114 O -0.0035 -0.0029 0.0036 4132 LEU 114 CB -0.0033 -0.0019 0.0016 4133 LEU 114 CG -0.0037 -0.0015 0.0011 4134 LEU 114 CD1 -0.0028 -0.0014 0.0003 4135 LEU 114 CD2 -0.0039 -0.0019 0.0019 4136 ALA 115 N -0.0038 -0.0005 0.0020 4137 ALA 115 CA -0.0031 -0.0002 0.0019 4138 ALA 115 C -0.0037 -0.0005 0.0022 4139 ALA 115 O -0.0032 -0.0004 0.0026 4140 ALA 115 CB -0.0028 0.0003 0.0007 4141 HIS 116 N -0.0046 -0.0009 0.0017 4142 HIS 116 CA -0.0052 -0.0013 0.0019 4143 HIS 116 C -0.0053 -0.0016 0.0031 4144 HIS 116 O -0.0053 -0.0017 0.0036 4145 HIS 116 CB -0.0062 -0.0017 0.0012 4146 HIS 116 CG -0.0068 -0.0020 0.0013 4147 HIS 116 ND1 -0.0076 -0.0025 0.0015 4148 HIS 116 CD2 -0.0065 -0.0018 0.0011 4149 HIS 116 CE1 -0.0081 -0.0028 0.0014 4150 HIS 116 NE2 -0.0073 -0.0023 0.0013 4151 HIS 117 N -0.0055 -0.0018 0.0036 4152 HIS 117 CA -0.0058 -0.0022 0.0047 4153 HIS 117 C -0.0048 -0.0018 0.0054 4154 HIS 117 O -0.0048 -0.0020 0.0062 4155 HIS 117 CB -0.0063 -0.0025 0.0049 4156 HIS 117 CG -0.0066 -0.0028 0.0058 4157 HIS 117 ND1 -0.0076 -0.0034 0.0061 4158 HIS 117 CD2 -0.0062 -0.0029 0.0071 4159 HIS 117 CE1 -0.0075 -0.0036 0.0074 4160 HIS 117 NE2 -0.0069 -0.0034 0.0077 4161 PHE 118 N -0.0041 -0.0063 0.0039 4162 PHE 118 CA -0.0026 -0.0065 0.0047 4163 PHE 118 C -0.0024 -0.0062 0.0044 4164 PHE 118 O -0.0012 -0.0066 0.0052 4165 PHE 118 CB -0.0011 -0.0058 0.0045 4166 PHE 118 CG -0.0013 -0.0064 0.0051 4167 PHE 118 CD1 -0.0015 -0.0060 0.0046 4168 PHE 118 CD2 -0.0008 -0.0077 0.0064 4169 PHE 118 CE1 -0.0017 -0.0064 0.0049 4170 PHE 118 CE2 -0.0010 -0.0082 0.0069 4171 PHE 118 CZ -0.0017 -0.0078 0.0062 4172 GLY 119 N -0.0031 -0.0055 0.0035 4173 GLY 119 CA -0.0030 -0.0054 0.0034 4174 GLY 119 C -0.0012 -0.0045 0.0032 4175 GLY 119 O -0.0003 -0.0037 0.0028 4176 LYS 120 N -0.0005 -0.0051 0.0040 4177 LYS 120 CA 0.0009 -0.0043 0.0038 4178 LYS 120 C 0.0023 -0.0045 0.0045 4179 LYS 120 O 0.0036 -0.0036 0.0041 4180 LYS 120 CB 0.0010 -0.0050 0.0045 4181 LYS 120 CG 0.0019 -0.0058 0.0056 4182 LYS 120 CD 0.0028 -0.0067 0.0068 4183 LYS 120 CE 0.0024 -0.0081 0.0080 4184 LYS 120 NZ 0.0043 -0.0090 0.0095 4185 GLU 121 N 0.0004 -0.0076 0.0041 4186 GLU 121 CA 0.0011 -0.0076 0.0042 4187 GLU 121 C 0.0013 -0.0068 0.0031 4188 GLU 121 O 0.0023 -0.0067 0.0031 4189 GLU 121 CB 0.0006 -0.0082 0.0049 4190 GLU 121 CG 0.0013 -0.0083 0.0051 4191 GLU 121 CD 0.0011 -0.0092 0.0063 4192 GLU 121 OE1 0.0014 -0.0088 0.0058 4193 GLU 121 OE2 -0.0001 -0.0092 0.0062 4194 PHE 122 N 0.0004 -0.0065 0.0025 4195 PHE 122 CA 0.0006 -0.0057 0.0015 4196 PHE 122 C 0.0013 -0.0052 0.0010 4197 PHE 122 O 0.0008 -0.0047 0.0003 4198 PHE 122 CB -0.0007 -0.0056 0.0012 4199 PHE 122 CG -0.0008 -0.0049 0.0003 4200 PHE 122 CD1 -0.0005 -0.0049 0.0003 4201 PHE 122 CD2 -0.0011 -0.0042 -0.0007 4202 PHE 122 CE1 -0.0006 -0.0043 -0.0005 4203 PHE 122 CE2 -0.0011 -0.0035 -0.0016 4204 PHE 122 CZ -0.0008 -0.0037 -0.0013 4205 THR 123 N 0.0024 -0.0053 0.0012 4206 THR 123 CA 0.0031 -0.0048 0.0007 4207 THR 123 C 0.0033 -0.0040 -0.0003 4208 THR 123 O 0.0031 -0.0038 -0.0006 4209 THR 123 CB 0.0044 -0.0050 0.0012 4210 THR 123 OG1 0.0050 -0.0050 0.0013 4211 THR 123 CG2 0.0043 -0.0060 0.0025 4212 PRO 124 N 0.0026 -0.0050 -0.0023 4213 PRO 124 CA 0.0031 -0.0037 -0.0034 4214 PRO 124 C 0.0043 -0.0034 -0.0030 4215 PRO 124 O 0.0040 -0.0029 -0.0036 4216 PRO 124 CB 0.0035 -0.0028 -0.0040 4217 PRO 124 CG 0.0025 -0.0036 -0.0038 4218 PRO 124 CD 0.0027 -0.0049 -0.0024 4219 PRO 125 N 0.0056 -0.0037 -0.0020 4220 PRO 125 CA 0.0066 -0.0036 -0.0016 4221 PRO 125 C 0.0062 -0.0043 -0.0011 4222 PRO 125 O 0.0064 -0.0038 -0.0014 4223 PRO 125 CB 0.0080 -0.0039 -0.0005 4224 PRO 125 CG 0.0079 -0.0037 -0.0007 4225 PRO 125 CD 0.0065 -0.0041 -0.0012 4226 VAL 126 N 0.0050 -0.0055 -0.0005 4227 VAL 126 CA 0.0043 -0.0063 -0.0002 4228 VAL 126 C 0.0031 -0.0057 -0.0014 4229 VAL 126 O 0.0031 -0.0057 -0.0014 4230 VAL 126 CB 0.0032 -0.0080 0.0008 4231 VAL 126 CG1 0.0026 -0.0086 0.0011 4232 VAL 126 CG2 0.0047 -0.0083 0.0019 4233 GLN 127 N 0.0019 -0.0056 -0.0026 4234 GLN 127 CA 0.0010 -0.0046 -0.0036 4235 GLN 127 C 0.0019 -0.0035 -0.0043 4236 GLN 127 O 0.0015 -0.0030 -0.0049 4237 GLN 127 CB -0.0002 -0.0044 -0.0040 4238 GLN 127 CG -0.0012 -0.0032 -0.0052 4239 GLN 127 CD -0.0019 -0.0027 -0.0058 4240 GLN 127 OE1 -0.0022 -0.0032 -0.0054 4241 GLN 127 NE2 -0.0028 -0.0018 -0.0067 4242 ALA 128 N 0.0033 -0.0029 -0.0045 4243 ALA 128 CA 0.0043 -0.0018 -0.0053 4244 ALA 128 C 0.0049 -0.0019 -0.0051 4245 ALA 128 O 0.0049 -0.0010 -0.0058 4246 ALA 128 CB 0.0057 -0.0015 -0.0053 4247 ALA 129 N 0.0053 -0.0031 -0.0040 4248 ALA 129 CA 0.0060 -0.0033 -0.0037 4249 ALA 129 C 0.0046 -0.0033 -0.0040 4250 ALA 129 O 0.0050 -0.0028 -0.0043 4251 ALA 129 CB 0.0067 -0.0046 -0.0025 4252 TYR 130 N 0.0035 -0.0052 -0.0035 4253 TYR 130 CA 0.0018 -0.0047 -0.0036 4254 TYR 130 C 0.0013 -0.0035 -0.0049 4255 TYR 130 O 0.0006 -0.0028 -0.0056 4256 TYR 130 CB 0.0006 -0.0053 -0.0025 4257 TYR 130 CG 0.0005 -0.0061 -0.0015 4258 TYR 130 CD1 -0.0003 -0.0059 -0.0015 4259 TYR 130 CD2 0.0014 -0.0072 -0.0004 4260 TYR 130 CE1 -0.0005 -0.0066 -0.0006 4261 TYR 130 CE2 0.0013 -0.0079 0.0006 4262 TYR 130 CZ 0.0006 -0.0077 0.0005 4263 TYR 130 OH 0.0005 -0.0084 0.0014 4264 GLN 131 N 0.0018 -0.0032 -0.0054 4265 GLN 131 CA 0.0014 -0.0021 -0.0068 4266 GLN 131 C 0.0021 -0.0013 -0.0078 4267 GLN 131 O 0.0016 -0.0005 -0.0087 4268 GLN 131 CB 0.0016 -0.0018 -0.0071 4269 GLN 131 CG 0.0007 -0.0023 -0.0062 4270 GLN 131 CD -0.0013 -0.0016 -0.0066 4271 GLN 131 OE1 -0.0019 -0.0022 -0.0056 4272 GLN 131 NE2 -0.0017 -0.0008 -0.0074 4273 LYS 132 N 0.0038 -0.0018 -0.0077 4274 LYS 132 CA 0.0048 -0.0012 -0.0088 4275 LYS 132 C 0.0040 -0.0011 -0.0087 4276 LYS 132 O 0.0037 -0.0003 -0.0096 4277 LYS 132 CB 0.0065 -0.0018 -0.0085 4278 LYS 132 CG 0.0075 -0.0017 -0.0090 4279 LYS 132 CD 0.0094 -0.0024 -0.0085 4280 LYS 132 CE 0.0097 -0.0029 -0.0081 4281 LYS 132 NZ 0.0124 -0.0031 -0.0085 4282 VAL 133 N -0.0010 -0.0053 -0.0055 4283 VAL 133 CA -0.0009 -0.0055 -0.0055 4284 VAL 133 C -0.0014 -0.0051 -0.0056 4285 VAL 133 O -0.0012 -0.0048 -0.0057 4286 VAL 133 CB -0.0009 -0.0062 -0.0052 4287 VAL 133 CG1 -0.0010 -0.0063 -0.0052 4288 VAL 133 CG2 -0.0003 -0.0065 -0.0051 4289 VAL 134 N -0.0019 -0.0052 -0.0055 4290 VAL 134 CA -0.0024 -0.0048 -0.0056 4291 VAL 134 C -0.0024 -0.0041 -0.0059 4292 VAL 134 O -0.0024 -0.0038 -0.0060 4293 VAL 134 CB -0.0032 -0.0051 -0.0055 4294 VAL 134 CG1 -0.0033 -0.0057 -0.0053 4295 VAL 134 CG2 -0.0034 -0.0048 -0.0056 4296 ALA 135 N -0.0022 -0.0039 -0.0060 4297 ALA 135 CA -0.0021 -0.0032 -0.0062 4298 ALA 135 C -0.0014 -0.0030 -0.0062 4299 ALA 135 O -0.0014 -0.0026 -0.0064 4300 ALA 135 CB -0.0019 -0.0030 -0.0063 4301 GLY 136 N -0.0053 -0.0066 -0.0041 4302 GLY 136 CA -0.0047 -0.0066 -0.0044 4303 GLY 136 C -0.0033 -0.0063 -0.0043 4304 GLY 136 O -0.0025 -0.0060 -0.0037 4305 VAL 137 N -0.0030 -0.0064 -0.0051 4306 VAL 137 CA -0.0017 -0.0062 -0.0052 4307 VAL 137 C -0.0011 -0.0058 -0.0043 4308 VAL 137 O -0.0003 -0.0056 -0.0037 4309 VAL 137 CB -0.0013 -0.0064 -0.0064 4310 VAL 137 CG1 -0.0000 -0.0062 -0.0064 4311 VAL 137 CG2 -0.0017 -0.0068 -0.0074 4312 ALA 138 N -0.0018 -0.0058 -0.0035 4313 ALA 138 CA -0.0015 -0.0054 -0.0023 4314 ALA 138 C -0.0012 -0.0051 -0.0015 4315 ALA 138 O -0.0005 -0.0048 -0.0008 4316 ALA 138 CB -0.0024 -0.0054 -0.0017 4317 ASN 139 N -0.0026 -0.0061 0.0021 4318 ASN 139 CA -0.0027 -0.0056 0.0034 4319 ASN 139 C -0.0010 -0.0057 0.0034 4320 ASN 139 O 0.0000 -0.0053 0.0045 4321 ASN 139 CB -0.0036 -0.0057 0.0033 4322 ASN 139 CG -0.0049 -0.0053 0.0044 4323 ASN 139 OD1 -0.0039 -0.0049 0.0053 4324 ASN 139 ND2 -0.0054 -0.0051 0.0048 4325 ALA 140 N -0.0006 -0.0062 0.0019 4326 ALA 140 CA 0.0010 -0.0064 0.0015 4327 ALA 140 C 0.0025 -0.0063 0.0018 4328 ALA 140 O 0.0036 -0.0060 0.0026 4329 ALA 140 CB 0.0011 -0.0070 -0.0001 4330 LEU 141 N 0.0025 -0.0064 0.0015 4331 LEU 141 CA 0.0038 -0.0063 0.0018 4332 LEU 141 C 0.0041 -0.0057 0.0035 4333 LEU 141 O 0.0053 -0.0054 0.0042 4334 LEU 141 CB 0.0037 -0.0067 0.0007 4335 LEU 141 CG 0.0042 -0.0073 -0.0009 4336 LEU 141 CD1 0.0044 -0.0075 -0.0014 4337 LEU 141 CD2 0.0064 -0.0072 -0.0006 4338 ALA 142 N 0.0023 -0.0056 0.0065 4339 ALA 142 CA 0.0025 -0.0047 0.0089 4340 ALA 142 C 0.0032 -0.0040 0.0106 4341 ALA 142 O 0.0036 -0.0032 0.0126 4342 ALA 142 CB -0.0001 -0.0042 0.0093 4343 HIS 143 N 0.0034 -0.0043 0.0099 4344 HIS 143 CA 0.0037 -0.0038 0.0113 4345 HIS 143 C 0.0061 -0.0033 0.0130 4346 HIS 143 O 0.0056 -0.0025 0.0149 4347 HIS 143 CB 0.0032 -0.0043 0.0100 4348 HIS 143 CG 0.0035 -0.0038 0.0113 4349 HIS 143 ND1 0.0051 -0.0040 0.0112 4350 HIS 143 CD2 0.0008 -0.0027 0.0130 4351 HIS 143 CE1 0.0041 -0.0030 0.0132 4352 HIS 143 NE2 0.0016 -0.0026 0.0136 4353 LYS 144 N 0.0080 -0.0039 0.0122 4354 LYS 144 CA 0.0107 -0.0038 0.0132 4355 LYS 144 C 0.0109 -0.0031 0.0149 4356 LYS 144 O 0.0131 -0.0030 0.0158 4357 LYS 144 CB 0.0125 -0.0043 0.0124 4358 LYS 144 CG 0.0120 -0.0049 0.0110 4359 LYS 144 CD 0.0130 -0.0045 0.0122 4360 LYS 144 CE 0.0132 -0.0046 0.0120 4361 LYS 144 NZ 0.0162 -0.0046 0.0128 4362 TYR 145 N 0.0079 -0.0015 0.0176 4363 TYR 145 CA 0.0077 -0.0010 0.0181 4364 TYR 145 C 0.0079 0.0002 0.0203 4365 TYR 145 O 0.0071 0.0011 0.0210 4366 TYR 145 CB 0.0058 -0.0008 0.0170 4367 TYR 145 CG 0.0060 -0.0021 0.0151 4368 TYR 145 CD1 0.0060 -0.0026 0.0144 4369 TYR 145 CD2 0.0061 -0.0030 0.0137 4370 TYR 145 CE1 0.0062 -0.0037 0.0128 4371 TYR 145 CE2 0.0063 -0.0044 0.0118 4372 TYR 145 CZ 0.0063 -0.0047 0.0114 4373 TYR 145 OH 0.0064 -0.0058 0.0097 4374 HIS 146 N 0.0091 0.0001 0.0210 4375 HIS 146 CA 0.0094 0.0014 0.0232 4376 HIS 146 C 0.0101 0.0011 0.0232 4377 HIS 146 O 0.0100 0.0004 0.0222 4378 HIS 146 CB 0.0114 0.0010 0.0241 4379 HIS 146 CG 0.0128 -0.0004 0.0231 4380 HIS 146 ND1 0.0150 -0.0006 0.0244 4381 HIS 146 CD2 0.0136 -0.0015 0.0219 4382 HIS 146 CE1 0.0157 -0.0013 0.0240 4383 HIS 146 NE2 0.0157 -0.0027 0.0218 4384 HIS 146 OXT 0.0101 0.0023 0.0251