1 VAL 1 N -0.0021 -0.0003 -0.0015 2 VAL 1 CA -0.0032 0.0001 -0.0031 3 VAL 1 C -0.0023 0.0024 -0.0019 4 VAL 1 O -0.0018 0.0054 -0.0012 5 VAL 1 CB -0.0051 0.0021 -0.0062 6 VAL 1 CG1 -0.0064 0.0020 -0.0083 7 VAL 1 CG2 -0.0047 0.0004 -0.0055 8 LEU 2 N -0.0030 0.0011 -0.0029 9 LEU 2 CA -0.0025 0.0039 -0.0022 10 LEU 2 C -0.0042 0.0070 -0.0050 11 LEU 2 O -0.0056 0.0050 -0.0071 12 LEU 2 CB -0.0025 0.0012 -0.0021 13 LEU 2 CG -0.0009 -0.0005 0.0004 14 LEU 2 CD1 0.0009 0.0006 0.0033 15 LEU 2 CD2 -0.0012 -0.0040 0.0001 16 SER 3 N -0.0036 0.0093 -0.0040 17 SER 3 CA -0.0051 0.0122 -0.0064 18 SER 3 C -0.0054 0.0118 -0.0069 19 SER 3 O -0.0045 0.0106 -0.0055 20 SER 3 CB -0.0039 0.0154 -0.0047 21 SER 3 OG -0.0027 0.0165 -0.0028 22 PRO 4 N -0.0059 0.0138 -0.0112 23 PRO 4 CA -0.0055 0.0124 -0.0113 24 PRO 4 C -0.0047 0.0139 -0.0085 25 PRO 4 O -0.0035 0.0124 -0.0067 26 PRO 4 CB -0.0073 0.0153 -0.0134 27 PRO 4 CG -0.0083 0.0153 -0.0158 28 PRO 4 CD -0.0076 0.0143 -0.0147 29 ALA 5 N -0.0046 0.0169 -0.0065 30 ALA 5 CA -0.0038 0.0181 -0.0038 31 ALA 5 C -0.0018 0.0156 -0.0008 32 ALA 5 O -0.0007 0.0152 0.0013 33 ALA 5 CB -0.0042 0.0220 -0.0023 34 ASP 6 N -0.0014 0.0137 -0.0011 35 ASP 6 CA 0.0004 0.0107 0.0010 36 ASP 6 C 0.0008 0.0084 0.0005 37 ASP 6 O 0.0023 0.0074 0.0033 38 ASP 6 CB 0.0006 0.0092 0.0004 39 ASP 6 CG 0.0004 0.0115 0.0017 40 ASP 6 OD1 0.0010 0.0135 0.0042 41 ASP 6 OD2 -0.0002 0.0109 -0.0003 42 LYS 7 N 0.0011 0.0068 -0.0001 43 LYS 7 CA 0.0014 0.0058 -0.0000 44 LYS 7 C 0.0016 0.0061 0.0006 45 LYS 7 O 0.0022 0.0053 0.0014 46 LYS 7 CB 0.0009 0.0050 -0.0016 47 LYS 7 CG 0.0007 0.0046 -0.0022 48 LYS 7 CD -0.0001 0.0041 -0.0040 49 LYS 7 CE -0.0003 0.0042 -0.0045 50 LYS 7 NZ -0.0008 0.0035 -0.0060 51 THR 8 N 0.0010 0.0078 0.0005 52 THR 8 CA 0.0013 0.0084 0.0014 53 THR 8 C 0.0020 0.0083 0.0027 54 THR 8 O 0.0024 0.0081 0.0036 55 THR 8 CB 0.0004 0.0101 0.0007 56 THR 8 OG1 -0.0002 0.0098 -0.0006 57 THR 8 CG2 0.0006 0.0107 0.0014 58 ASN 9 N 0.0022 0.0087 0.0034 59 ASN 9 CA 0.0028 0.0088 0.0048 60 ASN 9 C 0.0037 0.0072 0.0055 61 ASN 9 O 0.0042 0.0072 0.0066 62 ASN 9 CB 0.0029 0.0094 0.0053 63 ASN 9 CG 0.0022 0.0111 0.0051 64 ASN 9 OD1 0.0020 0.0119 0.0052 65 ASN 9 ND2 0.0021 0.0117 0.0052 66 VAL 10 N 0.0039 0.0042 0.0043 67 VAL 10 CA 0.0032 0.0035 0.0048 68 VAL 10 C 0.0035 0.0017 0.0042 69 VAL 10 O 0.0026 0.0008 0.0047 70 VAL 10 CB 0.0036 0.0044 0.0047 71 VAL 10 CG1 0.0030 0.0036 0.0050 72 VAL 10 CG2 0.0034 0.0058 0.0052 73 LYS 11 N 0.0046 0.0016 0.0031 74 LYS 11 CA 0.0048 0.0000 0.0025 75 LYS 11 C 0.0043 -0.0009 0.0028 76 LYS 11 O 0.0037 -0.0022 0.0031 77 LYS 11 CB 0.0060 -0.0000 0.0014 78 LYS 11 CG 0.0066 0.0006 0.0010 79 LYS 11 CD 0.0076 0.0003 -0.0000 80 LYS 11 CE 0.0080 0.0008 -0.0002 81 LYS 11 NZ 0.0091 0.0013 -0.0012 82 ALA 12 N 0.0040 -0.0002 0.0033 83 ALA 12 CA 0.0037 -0.0014 0.0033 84 ALA 12 C 0.0025 -0.0013 0.0043 85 ALA 12 O 0.0017 -0.0026 0.0048 86 ALA 12 CB 0.0038 -0.0004 0.0034 87 ALA 13 N 0.0003 0.0027 -0.0001 88 ALA 13 CA -0.0006 0.0023 0.0015 89 ALA 13 C -0.0019 0.0002 0.0019 90 ALA 13 O -0.0026 -0.0006 0.0027 91 ALA 13 CB -0.0005 0.0038 0.0031 92 TRP 14 N -0.0016 0.0002 0.0013 93 TRP 14 CA -0.0027 -0.0015 0.0016 94 TRP 14 C -0.0030 -0.0032 0.0002 95 TRP 14 O -0.0039 -0.0047 0.0007 96 TRP 14 CB -0.0024 -0.0013 0.0014 97 TRP 14 CG -0.0034 -0.0025 0.0022 98 TRP 14 CD1 -0.0039 -0.0043 0.0011 99 TRP 14 CD2 -0.0042 -0.0024 0.0042 100 TRP 14 NE1 -0.0050 -0.0049 0.0029 101 TRP 14 CE2 -0.0052 -0.0042 0.0044 102 TRP 14 CE3 -0.0043 -0.0013 0.0058 103 TRP 14 CZ2 -0.0059 -0.0043 0.0059 104 TRP 14 CZ3 -0.0053 -0.0019 0.0075 105 TRP 14 CH2 -0.0060 -0.0034 0.0073 106 GLY 15 N -0.0020 -0.0026 -0.0013 107 GLY 15 CA -0.0023 -0.0042 -0.0026 108 GLY 15 C -0.0029 -0.0043 -0.0014 109 GLY 15 O -0.0038 -0.0065 -0.0019 110 LYS 16 N -0.0025 -0.0029 -0.0051 111 LYS 16 CA -0.0042 -0.0033 -0.0046 112 LYS 16 C -0.0065 -0.0039 -0.0038 113 LYS 16 O -0.0079 -0.0049 -0.0038 114 LYS 16 CB -0.0040 -0.0025 -0.0041 115 LYS 16 CG -0.0056 -0.0041 -0.0044 116 LYS 16 CD -0.0039 -0.0059 -0.0067 117 LYS 16 CE -0.0067 -0.0067 -0.0059 118 LYS 16 NZ -0.0074 -0.0062 -0.0050 119 VAL 17 N -0.0067 -0.0022 -0.0024 120 VAL 17 CA -0.0084 -0.0019 -0.0013 121 VAL 17 C -0.0100 -0.0041 -0.0021 122 VAL 17 O -0.0110 -0.0046 -0.0020 123 VAL 17 CB -0.0086 -0.0003 0.0001 124 VAL 17 CG1 -0.0103 -0.0004 0.0009 125 VAL 17 CG2 -0.0081 0.0015 0.0012 126 GLY 18 N -0.0079 -0.0039 -0.0031 127 GLY 18 CA -0.0082 -0.0056 -0.0042 128 GLY 18 C -0.0106 -0.0057 -0.0030 129 GLY 18 O -0.0103 -0.0042 -0.0020 130 ALA 19 N -0.0095 -0.0072 -0.0035 131 ALA 19 CA -0.0103 -0.0081 -0.0035 132 ALA 19 C -0.0128 -0.0073 -0.0022 133 ALA 19 O -0.0144 -0.0072 -0.0015 134 ALA 19 CB -0.0112 -0.0106 -0.0040 135 HIS 20 N -0.0134 -0.0060 -0.0015 136 HIS 20 CA -0.0156 -0.0052 -0.0003 137 HIS 20 C -0.0151 -0.0027 0.0003 138 HIS 20 O -0.0167 -0.0014 0.0014 139 HIS 20 CB -0.0160 -0.0048 -0.0000 140 HIS 20 CG -0.0167 -0.0066 -0.0003 141 HIS 20 ND1 -0.0187 -0.0087 -0.0002 142 HIS 20 CD2 -0.0150 -0.0082 -0.0015 143 HIS 20 CE1 -0.0182 -0.0101 -0.0008 144 HIS 20 NE2 -0.0168 -0.0101 -0.0014 145 ALA 21 N -0.0134 -0.0020 -0.0002 146 ALA 21 CA -0.0125 0.0006 0.0003 147 ALA 21 C -0.0156 0.0014 0.0019 148 ALA 21 O -0.0153 0.0032 0.0023 149 ALA 21 CB -0.0103 0.0012 -0.0004 150 GLY 22 N -0.0105 0.0030 0.0004 151 GLY 22 CA -0.0124 0.0036 0.0012 152 GLY 22 C -0.0144 0.0039 0.0021 153 GLY 22 O -0.0162 0.0049 0.0028 154 GLU 23 N -0.0158 0.0018 0.0027 155 GLU 23 CA -0.0183 0.0018 0.0037 156 GLU 23 C -0.0188 0.0043 0.0039 157 GLU 23 O -0.0207 0.0052 0.0047 158 GLU 23 CB -0.0184 -0.0008 0.0037 159 GLU 23 CG -0.0209 -0.0012 0.0048 160 GLU 23 CD -0.0208 -0.0048 0.0047 161 GLU 23 OE1 -0.0214 -0.0031 0.0050 162 GLU 23 OE2 -0.0187 -0.0059 0.0038 163 TYR 24 N -0.0172 0.0047 0.0033 164 TYR 24 CA -0.0176 0.0068 0.0034 165 TYR 24 C -0.0173 0.0091 0.0033 166 TYR 24 O -0.0187 0.0110 0.0039 167 TYR 24 CB -0.0154 0.0071 0.0025 168 TYR 24 CG -0.0160 0.0049 0.0027 169 TYR 24 CD1 -0.0145 0.0047 0.0021 170 TYR 24 CD2 -0.0176 0.0032 0.0034 171 TYR 24 CE1 -0.0150 0.0026 0.0023 172 TYR 24 CE2 -0.0181 0.0011 0.0036 173 TYR 24 CZ -0.0164 0.0011 0.0029 174 TYR 24 OH -0.0165 -0.0011 0.0029 175 GLY 25 N -0.0156 0.0103 0.0007 176 GLY 25 CA -0.0156 0.0092 0.0005 177 GLY 25 C -0.0147 0.0087 0.0009 178 GLY 25 O -0.0143 0.0080 0.0010 179 ALA 26 N -0.0141 0.0089 0.0012 180 ALA 26 CA -0.0133 0.0085 0.0015 181 ALA 26 C -0.0124 0.0086 0.0020 182 ALA 26 O -0.0118 0.0081 0.0022 183 ALA 26 CB -0.0127 0.0088 0.0019 184 GLU 27 N -0.0125 0.0097 0.0021 185 GLU 27 CA -0.0119 0.0101 0.0025 186 GLU 27 C -0.0121 0.0095 0.0023 187 GLU 27 O -0.0114 0.0093 0.0025 188 GLU 27 CB -0.0121 0.0113 0.0025 189 GLU 27 CG -0.0115 0.0117 0.0029 190 GLU 27 CD -0.0116 0.0130 0.0031 191 GLU 27 OE1 -0.0116 0.0132 0.0031 192 GLU 27 OE2 -0.0119 0.0135 0.0030 193 ALA 28 N -0.0109 0.0146 0.0034 194 ALA 28 CA -0.0124 0.0127 0.0018 195 ALA 28 C -0.0105 0.0102 0.0002 196 ALA 28 O -0.0103 0.0087 -0.0009 197 ALA 28 CB -0.0155 0.0124 0.0012 198 LEU 29 N -0.0097 0.0098 0.0000 199 LEU 29 CA -0.0073 0.0074 -0.0014 200 LEU 29 C -0.0045 0.0073 -0.0011 201 LEU 29 O -0.0037 0.0055 -0.0024 202 LEU 29 CB -0.0063 0.0069 -0.0016 203 LEU 29 CG -0.0090 0.0066 -0.0022 204 LEU 29 CD1 -0.0074 0.0069 -0.0018 205 LEU 29 CD2 -0.0096 0.0040 -0.0042 206 GLU 30 N -0.0028 0.0094 0.0006 207 GLU 30 CA -0.0004 0.0094 0.0009 208 GLU 30 C -0.0011 0.0090 0.0005 209 GLU 30 O 0.0006 0.0079 -0.0000 210 GLU 30 CB 0.0011 0.0117 0.0028 211 GLU 30 CG 0.0032 0.0117 0.0030 212 GLU 30 CD 0.0056 0.0145 0.0054 213 GLU 30 OE1 0.0039 0.0159 0.0062 214 GLU 30 OE2 0.0084 0.0138 0.0053 215 ARG 31 N 0.0009 0.0072 -0.0014 216 ARG 31 CA 0.0006 0.0048 -0.0021 217 ARG 31 C 0.0004 0.0025 -0.0029 218 ARG 31 O 0.0013 0.0009 -0.0046 219 ARG 31 CB -0.0010 0.0042 -0.0007 220 ARG 31 CG -0.0005 0.0063 -0.0003 221 ARG 31 CD -0.0022 0.0058 0.0014 222 ARG 31 NE -0.0021 0.0076 0.0020 223 ARG 31 CZ -0.0011 0.0072 0.0008 224 ARG 31 NH1 -0.0003 0.0054 -0.0009 225 ARG 31 NH2 -0.0008 0.0092 0.0014 226 MET 32 N -0.0008 0.0024 -0.0017 227 MET 32 CA -0.0011 0.0004 -0.0024 228 MET 32 C 0.0007 0.0004 -0.0043 229 MET 32 O 0.0012 -0.0016 -0.0058 230 MET 32 CB -0.0025 0.0004 -0.0008 231 MET 32 CG -0.0032 -0.0016 -0.0011 232 MET 32 SD -0.0048 -0.0011 0.0008 233 MET 32 CE -0.0030 0.0014 0.0002 234 PHE 33 N 0.0018 0.0024 -0.0045 235 PHE 33 CA 0.0037 0.0026 -0.0065 236 PHE 33 C 0.0051 0.0020 -0.0082 237 PHE 33 O 0.0061 0.0007 -0.0099 238 PHE 33 CB 0.0046 0.0052 -0.0062 239 PHE 33 CG 0.0034 0.0059 -0.0046 240 PHE 33 CD1 0.0024 0.0047 -0.0041 241 PHE 33 CD2 0.0036 0.0087 -0.0036 242 PHE 33 CE1 0.0014 0.0056 -0.0027 243 PHE 33 CE2 0.0022 0.0092 -0.0018 244 PHE 33 CZ 0.0014 0.0080 -0.0015 245 LEU 34 N 0.0115 0.0020 -0.0069 246 LEU 34 CA 0.0128 0.0016 -0.0084 247 LEU 34 C 0.0113 -0.0010 -0.0091 248 LEU 34 O 0.0123 -0.0020 -0.0109 249 LEU 34 CB 0.0132 0.0032 -0.0074 250 LEU 34 CG 0.0147 0.0055 -0.0070 251 LEU 34 CD1 0.0149 0.0076 -0.0055 252 LEU 34 CD2 0.0166 0.0059 -0.0084 253 SER 35 N 0.0089 -0.0018 -0.0076 254 SER 35 CA 0.0079 -0.0038 -0.0083 255 SER 35 C 0.0073 -0.0061 -0.0096 256 SER 35 O 0.0069 -0.0082 -0.0109 257 SER 35 CB 0.0053 -0.0042 -0.0063 258 SER 35 OG 0.0056 -0.0028 -0.0054 259 PHE 36 N 0.0071 -0.0056 -0.0091 260 PHE 36 CA 0.0067 -0.0074 -0.0101 261 PHE 36 C 0.0084 -0.0063 -0.0107 262 PHE 36 O 0.0077 -0.0057 -0.0097 263 PHE 36 CB 0.0044 -0.0079 -0.0084 264 PHE 36 CG 0.0023 -0.0087 -0.0071 265 PHE 36 CD1 0.0016 -0.0070 -0.0051 266 PHE 36 CD2 0.0018 -0.0110 -0.0085 267 PHE 36 CE1 -0.0000 -0.0077 -0.0042 268 PHE 36 CE2 0.0003 -0.0115 -0.0076 269 PHE 36 CZ -0.0004 -0.0098 -0.0055 270 PRO 37 N 0.0076 0.0015 -0.0093 271 PRO 37 CA 0.0062 0.0016 -0.0089 272 PRO 37 C 0.0054 0.0011 -0.0076 273 PRO 37 O 0.0040 0.0013 -0.0074 274 PRO 37 CB 0.0071 0.0016 -0.0092 275 PRO 37 CG 0.0088 0.0013 -0.0095 276 PRO 37 CD 0.0089 0.0013 -0.0097 277 THR 38 N 0.0059 0.0003 -0.0066 278 THR 38 CA 0.0050 -0.0003 -0.0052 279 THR 38 C 0.0035 0.0002 -0.0053 280 THR 38 O 0.0023 0.0000 -0.0045 281 THR 38 CB 0.0059 -0.0011 -0.0042 282 THR 38 OG1 0.0065 -0.0010 -0.0047 283 THR 38 CG2 0.0072 -0.0016 -0.0041 284 THR 39 N 0.0034 0.0009 -0.0064 285 THR 39 CA 0.0019 0.0013 -0.0064 286 THR 39 C 0.0006 0.0019 -0.0068 287 THR 39 O -0.0007 0.0021 -0.0066 288 THR 39 CB 0.0022 0.0018 -0.0074 289 THR 39 OG1 0.0028 0.0026 -0.0089 290 THR 39 CG2 0.0035 0.0014 -0.0072 291 LYS 40 N 0.0023 0.0055 -0.0066 292 LYS 40 CA 0.0015 0.0053 -0.0068 293 LYS 40 C 0.0008 0.0048 -0.0060 294 LYS 40 O 0.0001 0.0046 -0.0060 295 LYS 40 CB 0.0018 0.0054 -0.0066 296 LYS 40 CG 0.0022 0.0059 -0.0074 297 LYS 40 CD 0.0024 0.0059 -0.0073 298 LYS 40 CE 0.0030 0.0059 -0.0067 299 LYS 40 NZ 0.0033 0.0059 -0.0067 300 THR 41 N 0.0012 0.0046 -0.0053 301 THR 41 CA 0.0007 0.0041 -0.0046 302 THR 41 C -0.0001 0.0040 -0.0049 303 THR 41 O -0.0008 0.0036 -0.0045 304 THR 41 CB 0.0013 0.0040 -0.0038 305 THR 41 OG1 0.0016 0.0042 -0.0041 306 THR 41 CG2 0.0020 0.0041 -0.0034 307 TYR 42 N -0.0002 0.0043 -0.0057 308 TYR 42 CA -0.0009 0.0042 -0.0059 309 TYR 42 C -0.0017 0.0042 -0.0066 310 TYR 42 O -0.0024 0.0041 -0.0069 311 TYR 42 CB -0.0006 0.0046 -0.0066 312 TYR 42 CG -0.0001 0.0045 -0.0059 313 TYR 42 CD1 -0.0005 0.0041 -0.0055 314 TYR 42 CD2 0.0009 0.0047 -0.0058 315 TYR 42 CE1 0.0002 0.0041 -0.0049 316 TYR 42 CE2 0.0014 0.0047 -0.0052 317 TYR 42 CZ 0.0010 0.0043 -0.0048 318 TYR 42 OH 0.0016 0.0043 -0.0042 319 PHE 43 N -0.0021 0.0114 -0.0107 320 PHE 43 CA -0.0017 0.0097 -0.0099 321 PHE 43 C -0.0025 0.0100 -0.0099 322 PHE 43 O -0.0032 0.0087 -0.0091 323 PHE 43 CB -0.0022 0.0082 -0.0090 324 PHE 43 CG -0.0009 0.0077 -0.0090 325 PHE 43 CD1 -0.0018 0.0087 -0.0093 326 PHE 43 CD2 0.0007 0.0068 -0.0088 327 PHE 43 CE1 -0.0007 0.0083 -0.0093 328 PHE 43 CE2 0.0019 0.0064 -0.0088 329 PHE 43 CZ 0.0008 0.0072 -0.0090 330 PRO 44 N -0.0025 0.0115 -0.0107 331 PRO 44 CA -0.0036 0.0116 -0.0105 332 PRO 44 C -0.0021 0.0104 -0.0102 333 PRO 44 O -0.0029 0.0098 -0.0097 334 PRO 44 CB -0.0034 0.0133 -0.0115 335 PRO 44 CG -0.0015 0.0139 -0.0122 336 PRO 44 CD -0.0015 0.0129 -0.0116 337 HIS 45 N -0.0005 0.0099 -0.0102 338 HIS 45 CA 0.0009 0.0087 -0.0098 339 HIS 45 C 0.0009 0.0067 -0.0088 340 HIS 45 O 0.0019 0.0057 -0.0084 341 HIS 45 CB 0.0029 0.0090 -0.0104 342 HIS 45 CG 0.0041 0.0091 -0.0107 343 HIS 45 ND1 0.0028 0.0098 -0.0108 344 HIS 45 CD2 0.0054 0.0078 -0.0102 345 HIS 45 CE1 0.0039 0.0095 -0.0108 346 HIS 45 NE2 0.0056 0.0081 -0.0104 347 PHE 46 N 0.0015 0.0025 -0.0105 348 PHE 46 CA 0.0014 0.0018 -0.0085 349 PHE 46 C 0.0007 0.0014 -0.0052 350 PHE 46 O -0.0007 0.0029 -0.0040 351 PHE 46 CB -0.0002 0.0044 -0.0092 352 PHE 46 CG 0.0008 0.0040 -0.0115 353 PHE 46 CD1 -0.0001 0.0052 -0.0117 354 PHE 46 CD2 0.0022 0.0027 -0.0135 355 PHE 46 CE1 0.0006 0.0052 -0.0140 356 PHE 46 CE2 0.0033 0.0023 -0.0163 357 PHE 46 CZ 0.0026 0.0036 -0.0169 358 ASP 47 N 0.0014 -0.0004 -0.0031 359 ASP 47 CA 0.0001 -0.0001 0.0004 360 ASP 47 C -0.0019 0.0025 0.0010 361 ASP 47 O -0.0013 0.0021 0.0002 362 ASP 47 CB 0.0016 -0.0030 0.0022 363 ASP 47 CG 0.0004 -0.0028 0.0060 364 ASP 47 OD1 -0.0012 -0.0011 0.0073 365 ASP 47 OD2 0.0014 -0.0048 0.0070 366 LEU 48 N -0.0033 0.0043 0.0016 367 LEU 48 CA -0.0050 0.0066 0.0022 368 LEU 48 C -0.0065 0.0072 0.0058 369 LEU 48 O -0.0078 0.0089 0.0060 370 LEU 48 CB -0.0065 0.0095 0.0004 371 LEU 48 CG -0.0056 0.0097 -0.0031 372 LEU 48 CD1 -0.0072 0.0125 -0.0041 373 LEU 48 CD2 -0.0051 0.0098 -0.0051 374 SER 49 N -0.0070 0.0061 0.0208 375 SER 49 CA -0.0081 0.0051 0.0224 376 SER 49 C -0.0067 0.0055 0.0199 377 SER 49 O -0.0054 0.0047 0.0170 378 SER 49 CB -0.0096 0.0030 0.0243 379 SER 49 OG -0.0094 0.0007 0.0228 380 HIS 50 N -0.0071 0.0063 0.0211 381 HIS 50 CA -0.0056 0.0064 0.0182 382 HIS 50 C -0.0055 0.0034 0.0165 383 HIS 50 O -0.0071 0.0006 0.0182 384 HIS 50 CB -0.0067 0.0068 0.0205 385 HIS 50 CG -0.0057 0.0065 0.0184 386 HIS 50 ND1 -0.0042 0.0090 0.0167 387 HIS 50 CD2 -0.0065 0.0054 0.0194 388 HIS 50 CE1 -0.0035 0.0080 0.0150 389 HIS 50 NE2 -0.0049 0.0055 0.0164 390 GLY 51 N -0.0046 0.0028 0.0144 391 GLY 51 CA -0.0040 0.0003 0.0120 392 GLY 51 C -0.0040 -0.0018 0.0110 393 GLY 51 O -0.0041 -0.0044 0.0099 394 SER 52 N -0.0047 0.0004 0.0163 395 SER 52 CA -0.0009 -0.0032 0.0124 396 SER 52 C 0.0003 -0.0036 0.0097 397 SER 52 O -0.0004 -0.0014 0.0068 398 SER 52 CB -0.0013 -0.0018 0.0106 399 SER 52 OG -0.0016 0.0005 0.0061 400 ALA 53 N 0.0038 -0.0078 0.0084 401 ALA 53 CA 0.0054 -0.0086 0.0050 402 ALA 53 C 0.0056 -0.0066 -0.0007 403 ALA 53 O 0.0057 -0.0056 -0.0035 404 ALA 53 CB 0.0093 -0.0136 0.0041 405 GLN 54 N 0.0048 -0.0051 -0.0017 406 GLN 54 CA 0.0049 -0.0032 -0.0068 407 GLN 54 C 0.0016 0.0015 -0.0072 408 GLN 54 O 0.0021 0.0026 -0.0116 409 GLN 54 CB 0.0045 -0.0025 -0.0071 410 GLN 54 CG 0.0078 -0.0065 -0.0084 411 GLN 54 CD 0.0075 -0.0064 -0.0075 412 GLN 54 OE1 0.0063 -0.0065 -0.0034 413 GLN 54 NE2 0.0101 -0.0086 -0.0106 414 VAL 55 N -0.0010 0.0023 -0.0035 415 VAL 55 CA -0.0038 0.0049 -0.0036 416 VAL 55 C -0.0041 0.0051 -0.0031 417 VAL 55 O -0.0051 0.0064 -0.0048 418 VAL 55 CB -0.0058 0.0061 -0.0008 419 VAL 55 CG1 -0.0086 0.0086 -0.0003 420 VAL 55 CG2 -0.0060 0.0066 -0.0023 421 LYS 56 N -0.0028 0.0033 -0.0002 422 LYS 56 CA -0.0025 0.0029 0.0002 423 LYS 56 C -0.0020 0.0031 -0.0029 424 LYS 56 O -0.0023 0.0036 -0.0040 425 LYS 56 CB -0.0015 0.0012 0.0039 426 LYS 56 CG -0.0033 0.0022 0.0069 427 LYS 56 CD -0.0014 -0.0003 0.0106 428 LYS 56 CE -0.0030 0.0003 0.0149 429 LYS 56 NZ -0.0014 -0.0017 0.0175 430 GLY 57 N 0.0010 0.0007 -0.0046 431 GLY 57 CA 0.0024 0.0001 -0.0079 432 GLY 57 C 0.0006 0.0025 -0.0115 433 GLY 57 O 0.0006 0.0028 -0.0129 434 HIS 58 N -0.0006 0.0046 -0.0115 435 HIS 58 CA -0.0025 0.0054 -0.0140 436 HIS 58 C -0.0057 0.0057 -0.0123 437 HIS 58 O -0.0060 0.0060 -0.0136 438 HIS 58 CB -0.0033 0.0060 -0.0159 439 HIS 58 CG -0.0047 0.0069 -0.0190 440 HIS 58 ND1 -0.0033 0.0070 -0.0208 441 HIS 58 CD2 -0.0073 0.0075 -0.0200 442 HIS 58 CE1 -0.0057 0.0078 -0.0225 443 HIS 58 NE2 -0.0078 0.0081 -0.0223 444 GLY 59 N -0.0066 0.0054 -0.0103 445 GLY 59 CA -0.0092 0.0056 -0.0086 446 GLY 59 C -0.0087 0.0052 -0.0074 447 GLY 59 O -0.0102 0.0056 -0.0077 448 LYS 60 N -0.0059 0.0045 -0.0062 449 LYS 60 CA -0.0048 0.0041 -0.0054 450 LYS 60 C -0.0046 0.0045 -0.0073 451 LYS 60 O -0.0052 0.0046 -0.0073 452 LYS 60 CB -0.0018 0.0032 -0.0032 453 LYS 60 CG -0.0007 0.0027 -0.0022 454 LYS 60 CD 0.0019 0.0019 -0.0004 455 LYS 60 CE 0.0032 0.0015 0.0007 456 LYS 60 NZ 0.0070 0.0003 0.0033 457 LYS 61 N -0.0016 0.0039 -0.0072 458 LYS 61 CA -0.0004 0.0050 -0.0088 459 LYS 61 C -0.0037 0.0050 -0.0104 460 LYS 61 O -0.0029 0.0048 -0.0096 461 LYS 61 CB 0.0012 0.0072 -0.0123 462 LYS 61 CG 0.0055 0.0079 -0.0118 463 LYS 61 CD 0.0066 0.0098 -0.0150 464 LYS 61 CE 0.0085 0.0102 -0.0149 465 LYS 61 NZ 0.0106 0.0124 -0.0183 466 VAL 62 N -0.0065 0.0047 -0.0110 467 VAL 62 CA -0.0100 0.0044 -0.0121 468 VAL 62 C -0.0114 0.0023 -0.0087 469 VAL 62 O -0.0114 0.0026 -0.0091 470 VAL 62 CB -0.0130 0.0044 -0.0135 471 VAL 62 CG1 -0.0166 0.0041 -0.0146 472 VAL 62 CG2 -0.0120 0.0065 -0.0171 473 ALA 63 N -0.0110 0.0013 -0.0064 474 ALA 63 CA -0.0119 -0.0006 -0.0032 475 ALA 63 C -0.0094 -0.0009 -0.0014 476 ALA 63 O -0.0102 -0.0015 -0.0006 477 ALA 63 CB -0.0130 -0.0020 -0.0009 478 ASP 64 N -0.0022 -0.0016 -0.0016 479 ASP 64 CA -0.0011 -0.0015 0.0004 480 ASP 64 C -0.0002 -0.0014 0.0020 481 ASP 64 O 0.0006 -0.0024 0.0035 482 ASP 64 CB -0.0009 0.0010 0.0007 483 ASP 64 CG -0.0011 0.0011 0.0003 484 ASP 64 OD1 -0.0017 -0.0013 -0.0007 485 ASP 64 OD2 -0.0013 0.0033 0.0000 486 ALA 65 N -0.0007 -0.0002 0.0010 487 ALA 65 CA -0.0001 -0.0008 0.0021 488 ALA 65 C 0.0000 -0.0034 0.0024 489 ALA 65 O 0.0010 -0.0037 0.0041 490 ALA 65 CB -0.0007 0.0007 0.0012 491 LEU 66 N -0.0008 -0.0045 0.0008 492 LEU 66 CA -0.0006 -0.0069 0.0013 493 LEU 66 C 0.0002 -0.0081 0.0026 494 LEU 66 O 0.0009 -0.0095 0.0040 495 LEU 66 CB -0.0017 -0.0080 -0.0008 496 LEU 66 CG -0.0026 -0.0076 -0.0024 497 LEU 66 CD1 -0.0037 -0.0084 -0.0044 498 LEU 66 CD2 -0.0021 -0.0080 -0.0015 499 THR 67 N 0.0028 -0.0092 0.0019 500 THR 67 CA 0.0034 -0.0099 0.0021 501 THR 67 C 0.0044 -0.0095 0.0037 502 THR 67 O 0.0056 -0.0104 0.0044 503 THR 67 CB 0.0025 -0.0098 0.0010 504 THR 67 OG1 0.0019 -0.0103 -0.0001 505 THR 67 CG2 0.0032 -0.0101 0.0017 506 ASN 68 N 0.0039 -0.0080 0.0044 507 ASN 68 CA 0.0048 -0.0075 0.0060 508 ASN 68 C 0.0058 -0.0080 0.0068 509 ASN 68 O 0.0071 -0.0085 0.0078 510 ASN 68 CB 0.0042 -0.0059 0.0066 511 ASN 68 CG 0.0050 -0.0051 0.0083 512 ASN 68 OD1 0.0057 -0.0055 0.0088 513 ASN 68 ND2 0.0046 -0.0037 0.0090 514 ALA 69 N 0.0057 -0.0084 0.0063 515 ALA 69 CA 0.0068 -0.0088 0.0073 516 ALA 69 C 0.0077 -0.0106 0.0069 517 ALA 69 O 0.0087 -0.0110 0.0077 518 ALA 69 CB 0.0063 -0.0088 0.0066 519 VAL 70 N 0.0054 -0.0095 0.0052 520 VAL 70 CA 0.0060 -0.0101 0.0048 521 VAL 70 C 0.0065 -0.0103 0.0047 522 VAL 70 O 0.0072 -0.0105 0.0047 523 VAL 70 CB 0.0056 -0.0105 0.0043 524 VAL 70 CG1 0.0060 -0.0112 0.0038 525 VAL 70 CG2 0.0052 -0.0104 0.0043 526 ALA 71 N 0.0062 -0.0102 0.0047 527 ALA 71 CA 0.0066 -0.0104 0.0047 528 ALA 71 C 0.0071 -0.0100 0.0051 529 ALA 71 O 0.0077 -0.0103 0.0051 530 ALA 71 CB 0.0060 -0.0103 0.0046 531 HIS 72 N 0.0071 -0.0095 0.0056 532 HIS 72 CA 0.0076 -0.0091 0.0061 533 HIS 72 C 0.0080 -0.0088 0.0064 534 HIS 72 O 0.0080 -0.0083 0.0069 535 HIS 72 CB 0.0072 -0.0084 0.0066 536 HIS 72 CG 0.0069 -0.0087 0.0062 537 HIS 72 ND1 0.0072 -0.0087 0.0063 538 HIS 72 CD2 0.0062 -0.0088 0.0060 539 HIS 72 CE1 0.0070 -0.0092 0.0058 540 HIS 72 NE2 0.0062 -0.0091 0.0057 541 VAL 73 N 0.0072 -0.0106 0.0030 542 VAL 73 CA 0.0100 -0.0093 0.0052 543 VAL 73 C 0.0104 -0.0092 0.0059 544 VAL 73 O 0.0113 -0.0092 0.0081 545 VAL 73 CB 0.0119 -0.0078 0.0042 546 VAL 73 CG1 0.0127 -0.0065 0.0011 547 VAL 73 CG2 0.0137 -0.0072 0.0065 548 ASP 74 N 0.0097 -0.0090 0.0033 549 ASP 74 CA 0.0103 -0.0087 0.0036 550 ASP 74 C 0.0080 -0.0108 0.0058 551 ASP 74 O 0.0087 -0.0104 0.0061 552 ASP 74 CB 0.0096 -0.0084 0.0004 553 ASP 74 CG 0.0123 -0.0060 -0.0018 554 ASP 74 OD1 0.0139 -0.0051 -0.0011 555 ASP 74 OD2 0.0115 -0.0057 -0.0050 556 ASP 75 N 0.0063 -0.0121 0.0064 557 ASP 75 CA 0.0045 -0.0139 0.0088 558 ASP 75 C 0.0031 -0.0153 0.0106 559 ASP 75 O 0.0005 -0.0171 0.0111 560 ASP 75 CB 0.0010 -0.0154 0.0058 561 ASP 75 CG 0.0012 -0.0154 0.0064 562 ASP 75 OD1 0.0001 -0.0165 0.0077 563 ASP 75 OD2 -0.0030 -0.0181 0.0059 564 MET 76 N 0.0057 -0.0174 0.0137 565 MET 76 CA 0.0077 -0.0170 0.0126 566 MET 76 C 0.0078 -0.0187 0.0126 567 MET 76 O 0.0083 -0.0178 0.0122 568 MET 76 CB 0.0094 -0.0182 0.0116 569 MET 76 CG 0.0100 -0.0166 0.0113 570 MET 76 SD 0.0127 -0.0170 0.0098 571 MET 76 CE 0.0127 -0.0181 0.0098 572 PRO 77 N 0.0068 -0.0205 0.0131 573 PRO 77 CA 0.0062 -0.0213 0.0135 574 PRO 77 C 0.0056 -0.0201 0.0138 575 PRO 77 O 0.0064 -0.0203 0.0134 576 PRO 77 CB 0.0051 -0.0240 0.0142 577 PRO 77 CG 0.0058 -0.0240 0.0138 578 PRO 77 CD 0.0062 -0.0220 0.0135 579 ASN 78 N 0.0039 -0.0189 0.0147 580 ASN 78 CA 0.0028 -0.0177 0.0153 581 ASN 78 C 0.0040 -0.0155 0.0145 582 ASN 78 O 0.0047 -0.0148 0.0141 583 ASN 78 CB 0.0005 -0.0167 0.0165 584 ASN 78 CG -0.0005 -0.0177 0.0170 585 ASN 78 OD1 -0.0017 -0.0201 0.0178 586 ASN 78 ND2 -0.0010 -0.0189 0.0173 587 ALA 79 N 0.0083 -0.0155 0.0146 588 ALA 79 CA 0.0092 -0.0147 0.0151 589 ALA 79 C 0.0103 -0.0136 0.0124 590 ALA 79 O 0.0120 -0.0122 0.0127 591 ALA 79 CB 0.0079 -0.0160 0.0164 592 LEU 80 N 0.0090 -0.0144 0.0104 593 LEU 80 CA 0.0093 -0.0138 0.0074 594 LEU 80 C 0.0107 -0.0125 0.0059 595 LEU 80 O 0.0107 -0.0122 0.0033 596 LEU 80 CB 0.0074 -0.0153 0.0060 597 LEU 80 CG 0.0063 -0.0164 0.0077 598 LEU 80 CD1 0.0043 -0.0179 0.0062 599 LEU 80 CD2 0.0081 -0.0149 0.0078 600 SER 81 N 0.0114 -0.0120 0.0069 601 SER 81 CA 0.0119 -0.0114 0.0047 602 SER 81 C 0.0138 -0.0097 0.0034 603 SER 81 O 0.0138 -0.0094 0.0006 604 SER 81 CB 0.0133 -0.0105 0.0076 605 SER 81 OG 0.0133 -0.0103 0.0054 606 ALA 82 N 0.0179 -0.0076 0.0043 607 ALA 82 CA 0.0178 -0.0054 0.0031 608 ALA 82 C 0.0149 -0.0052 0.0004 609 ALA 82 O 0.0139 -0.0027 -0.0016 610 ALA 82 CB 0.0188 -0.0057 0.0041 611 LEU 83 N 0.0129 -0.0084 0.0004 612 LEU 83 CA 0.0097 -0.0082 -0.0024 613 LEU 83 C 0.0084 -0.0080 -0.0037 614 LEU 83 O 0.0065 -0.0064 -0.0061 615 LEU 83 CB 0.0081 -0.0121 -0.0018 616 LEU 83 CG 0.0065 -0.0131 -0.0027 617 LEU 83 CD1 0.0079 -0.0109 -0.0026 618 LEU 83 CD2 0.0065 -0.0167 -0.0009 619 SER 84 N 0.0093 -0.0085 -0.0027 620 SER 84 CA 0.0083 -0.0072 -0.0042 621 SER 84 C 0.0091 -0.0032 -0.0055 622 SER 84 O 0.0075 -0.0021 -0.0074 623 SER 84 CB 0.0092 -0.0083 -0.0028 624 SER 84 OG 0.0111 -0.0095 -0.0006 625 ASP 85 N 0.0124 0.0002 -0.0044 626 ASP 85 CA 0.0119 0.0045 -0.0042 627 ASP 85 C 0.0090 0.0057 -0.0059 628 ASP 85 O 0.0075 0.0078 -0.0067 629 ASP 85 CB 0.0140 0.0054 -0.0028 630 ASP 85 CG 0.0171 0.0051 -0.0008 631 ASP 85 OD1 0.0178 0.0059 -0.0003 632 ASP 85 OD2 0.0198 0.0053 0.0009 633 LEU 86 N 0.0074 0.0035 -0.0072 634 LEU 86 CA 0.0045 0.0043 -0.0090 635 LEU 86 C 0.0021 0.0045 -0.0105 636 LEU 86 O -0.0000 0.0066 -0.0116 637 LEU 86 CB 0.0039 0.0015 -0.0097 638 LEU 86 CG 0.0013 0.0019 -0.0113 639 LEU 86 CD1 0.0009 0.0048 -0.0113 640 LEU 86 CD2 -0.0004 -0.0010 -0.0128 641 HIS 87 N 0.0027 0.0014 -0.0105 642 HIS 87 CA -0.0000 0.0014 -0.0123 643 HIS 87 C 0.0006 0.0044 -0.0115 644 HIS 87 O -0.0017 0.0057 -0.0128 645 HIS 87 CB 0.0002 -0.0023 -0.0125 646 HIS 87 CG -0.0016 -0.0048 -0.0140 647 HIS 87 ND1 0.0003 -0.0066 -0.0130 648 HIS 87 CD2 -0.0042 -0.0064 -0.0159 649 HIS 87 CE1 -0.0018 -0.0084 -0.0145 650 HIS 87 NE2 -0.0044 -0.0086 -0.0162 651 ALA 88 N 0.0024 0.0038 -0.0092 652 ALA 88 CA 0.0034 0.0067 -0.0079 653 ALA 88 C 0.0015 0.0112 -0.0079 654 ALA 88 O 0.0011 0.0129 -0.0078 655 ALA 88 CB 0.0069 0.0063 -0.0057 656 HIS 89 N 0.0023 0.0116 -0.0073 657 HIS 89 CA 0.0016 0.0155 -0.0068 658 HIS 89 C -0.0014 0.0170 -0.0084 659 HIS 89 O -0.0031 0.0204 -0.0087 660 HIS 89 CB 0.0044 0.0166 -0.0047 661 HIS 89 CG 0.0075 0.0162 -0.0028 662 HIS 89 ND1 0.0081 0.0174 -0.0021 663 HIS 89 CD2 0.0110 0.0140 -0.0011 664 HIS 89 CE1 0.0111 0.0160 -0.0005 665 HIS 89 NE2 0.0122 0.0146 -0.0002 666 LYS 90 N -0.0032 0.0147 -0.0101 667 LYS 90 CA -0.0061 0.0150 -0.0119 668 LYS 90 C -0.0093 0.0139 -0.0143 669 LYS 90 O -0.0114 0.0156 -0.0152 670 LYS 90 CB -0.0055 0.0137 -0.0119 671 LYS 90 CG -0.0029 0.0166 -0.0095 672 LYS 90 CD -0.0034 0.0200 -0.0089 673 LYS 90 CE -0.0011 0.0205 -0.0073 674 LYS 90 NZ -0.0027 0.0273 -0.0067 675 LEU 91 N -0.0063 0.0077 -0.0114 676 LEU 91 CA -0.0071 0.0069 -0.0126 677 LEU 91 C -0.0067 0.0072 -0.0120 678 LEU 91 O -0.0080 0.0076 -0.0124 679 LEU 91 CB -0.0065 0.0050 -0.0141 680 LEU 91 CG -0.0070 0.0045 -0.0149 681 LEU 91 CD1 -0.0063 0.0030 -0.0160 682 LEU 91 CD2 -0.0090 0.0052 -0.0154 683 ARG 92 N -0.0049 0.0070 -0.0112 684 ARG 92 CA -0.0041 0.0076 -0.0103 685 ARG 92 C -0.0045 0.0068 -0.0113 686 ARG 92 O -0.0052 0.0074 -0.0111 687 ARG 92 CB -0.0050 0.0095 -0.0090 688 ARG 92 CG -0.0042 0.0102 -0.0078 689 ARG 92 CD -0.0066 0.0122 -0.0072 690 ARG 92 NE -0.0049 0.0121 -0.0064 691 ARG 92 CZ -0.0075 0.0146 -0.0055 692 ARG 92 NH1 -0.0091 0.0139 -0.0070 693 ARG 92 NH2 -0.0071 0.0152 -0.0046 694 VAL 93 N -0.0041 0.0053 -0.0125 695 VAL 93 CA -0.0042 0.0042 -0.0136 696 VAL 93 C -0.0028 0.0041 -0.0130 697 VAL 93 O -0.0010 0.0036 -0.0124 698 VAL 93 CB -0.0040 0.0026 -0.0150 699 VAL 93 CG1 -0.0040 0.0015 -0.0161 700 VAL 93 CG2 -0.0055 0.0027 -0.0158 701 ASP 94 N -0.0047 -0.0015 -0.0097 702 ASP 94 CA -0.0050 -0.0002 -0.0100 703 ASP 94 C -0.0049 -0.0008 -0.0099 704 ASP 94 O -0.0054 -0.0016 -0.0093 705 ASP 94 CB -0.0063 0.0003 -0.0095 706 ASP 94 CG -0.0065 0.0017 -0.0099 707 ASP 94 OD1 -0.0064 0.0027 -0.0104 708 ASP 94 OD2 -0.0068 0.0017 -0.0097 709 PRO 95 N -0.0046 -0.0000 -0.0104 710 PRO 95 CA -0.0043 -0.0004 -0.0104 711 PRO 95 C -0.0054 -0.0005 -0.0097 712 PRO 95 O -0.0054 -0.0013 -0.0094 713 PRO 95 CB -0.0039 0.0007 -0.0111 714 PRO 95 CG -0.0031 0.0010 -0.0117 715 PRO 95 CD -0.0038 0.0010 -0.0113 716 VAL 96 N -0.0065 0.0001 -0.0093 717 VAL 96 CA -0.0076 -0.0001 -0.0086 718 VAL 96 C -0.0078 -0.0014 -0.0079 719 VAL 96 O -0.0083 -0.0019 -0.0074 720 VAL 96 CB -0.0087 0.0010 -0.0083 721 VAL 96 CG1 -0.0092 0.0007 -0.0079 722 VAL 96 CG2 -0.0093 0.0010 -0.0080 723 ASN 97 N -0.0094 -0.0040 -0.0089 724 ASN 97 CA -0.0090 -0.0054 -0.0064 725 ASN 97 C -0.0083 -0.0063 -0.0051 726 ASN 97 O -0.0087 -0.0071 -0.0029 727 ASN 97 CB -0.0067 -0.0063 -0.0065 728 ASN 97 CG -0.0073 -0.0055 -0.0075 729 ASN 97 OD1 -0.0084 -0.0056 -0.0065 730 ASN 97 ND2 -0.0064 -0.0047 -0.0101 731 PHE 98 N -0.0079 -0.0059 -0.0062 732 PHE 98 CA -0.0075 -0.0066 -0.0051 733 PHE 98 C -0.0100 -0.0064 -0.0035 734 PHE 98 O -0.0099 -0.0074 -0.0014 735 PHE 98 CB -0.0064 -0.0063 -0.0066 736 PHE 98 CG -0.0040 -0.0067 -0.0078 737 PHE 98 CD1 -0.0023 -0.0079 -0.0067 738 PHE 98 CD2 -0.0035 -0.0060 -0.0097 739 PHE 98 CE1 -0.0002 -0.0084 -0.0076 740 PHE 98 CE2 -0.0009 -0.0067 -0.0106 741 PHE 98 CZ 0.0004 -0.0077 -0.0095 742 LYS 99 N -0.0120 -0.0052 -0.0041 743 LYS 99 CA -0.0144 -0.0050 -0.0026 744 LYS 99 C -0.0150 -0.0056 -0.0008 745 LYS 99 O -0.0158 -0.0062 0.0011 746 LYS 99 CB -0.0163 -0.0034 -0.0044 747 LYS 99 CG -0.0161 -0.0026 -0.0062 748 LYS 99 CD -0.0174 -0.0017 -0.0070 749 LYS 99 CE -0.0184 -0.0002 -0.0092 750 LYS 99 NZ -0.0197 0.0014 -0.0116 751 LEU 100 N -0.0118 -0.0077 -0.0007 752 LEU 100 CA -0.0107 -0.0068 -0.0017 753 LEU 100 C -0.0105 -0.0050 -0.0006 754 LEU 100 O -0.0103 -0.0045 -0.0006 755 LEU 100 CB -0.0095 -0.0067 -0.0033 756 LEU 100 CG -0.0097 -0.0085 -0.0043 757 LEU 100 CD1 -0.0083 -0.0082 -0.0061 758 LEU 100 CD2 -0.0097 -0.0096 -0.0052 759 LEU 101 N -0.0106 -0.0038 0.0004 760 LEU 101 CA -0.0105 -0.0021 0.0015 761 LEU 101 C -0.0117 -0.0023 0.0030 762 LEU 101 O -0.0116 -0.0015 0.0035 763 LEU 101 CB -0.0106 -0.0012 0.0022 764 LEU 101 CG -0.0105 0.0008 0.0035 765 LEU 101 CD1 -0.0094 0.0021 0.0029 766 LEU 101 CD2 -0.0105 0.0017 0.0042 767 SER 102 N -0.0130 -0.0039 0.0037 768 SER 102 CA -0.0141 -0.0043 0.0050 769 SER 102 C -0.0137 -0.0046 0.0042 770 SER 102 O -0.0140 -0.0039 0.0052 771 SER 102 CB -0.0152 -0.0060 0.0054 772 SER 102 OG -0.0157 -0.0056 0.0064 773 HIS 103 N -0.0142 -0.0039 0.0007 774 HIS 103 CA -0.0131 -0.0036 0.0003 775 HIS 103 C -0.0121 -0.0014 0.0007 776 HIS 103 O -0.0119 -0.0001 0.0011 777 HIS 103 CB -0.0121 -0.0052 -0.0008 778 HIS 103 CG -0.0109 -0.0049 -0.0012 779 HIS 103 ND1 -0.0088 -0.0045 -0.0021 780 HIS 103 CD2 -0.0116 -0.0046 -0.0008 781 HIS 103 CE1 -0.0085 -0.0041 -0.0021 782 HIS 103 NE2 -0.0100 -0.0040 -0.0013 783 CYS 104 N -0.0108 -0.0010 0.0002 784 CYS 104 CA -0.0093 0.0013 0.0004 785 CYS 104 C -0.0106 0.0029 0.0016 786 CYS 104 O -0.0098 0.0045 0.0018 787 CYS 104 CB -0.0078 0.0010 -0.0005 788 CYS 104 SG -0.0061 -0.0007 -0.0019 789 LEU 105 N -0.0123 0.0026 0.0022 790 LEU 105 CA -0.0133 0.0045 0.0035 791 LEU 105 C -0.0144 0.0048 0.0041 792 LEU 105 O -0.0141 0.0065 0.0046 793 LEU 105 CB -0.0149 0.0037 0.0039 794 LEU 105 CG -0.0149 0.0045 0.0042 795 LEU 105 CD1 -0.0164 0.0033 0.0045 796 LEU 105 CD2 -0.0143 0.0063 0.0046 797 LEU 106 N -0.0126 0.0043 0.0051 798 LEU 106 CA -0.0124 0.0040 0.0050 799 LEU 106 C -0.0118 0.0043 0.0043 800 LEU 106 O -0.0118 0.0048 0.0041 801 LEU 106 CB -0.0123 0.0029 0.0053 802 LEU 106 CG -0.0126 0.0024 0.0058 803 LEU 106 CD1 -0.0124 0.0014 0.0059 804 LEU 106 CD2 -0.0133 0.0028 0.0064 805 VAL 107 N -0.0113 0.0043 0.0037 806 VAL 107 CA -0.0107 0.0046 0.0029 807 VAL 107 C -0.0108 0.0057 0.0028 808 VAL 107 O -0.0106 0.0061 0.0023 809 VAL 107 CB -0.0101 0.0044 0.0024 810 VAL 107 CG1 -0.0096 0.0049 0.0017 811 VAL 107 CG2 -0.0098 0.0032 0.0024 812 THR 108 N -0.0113 0.0062 0.0031 813 THR 108 CA -0.0115 0.0073 0.0029 814 THR 108 C -0.0118 0.0075 0.0032 815 THR 108 O -0.0117 0.0082 0.0029 816 THR 108 CB -0.0120 0.0077 0.0033 817 THR 108 OG1 -0.0115 0.0075 0.0029 818 THR 108 CG2 -0.0121 0.0088 0.0031 819 LEU 109 N -0.0120 0.0056 0.0051 820 LEU 109 CA -0.0125 0.0062 0.0049 821 LEU 109 C -0.0124 0.0070 0.0053 822 LEU 109 O -0.0124 0.0075 0.0054 823 LEU 109 CB -0.0131 0.0060 0.0044 824 LEU 109 CG -0.0134 0.0054 0.0040 825 LEU 109 CD1 -0.0139 0.0052 0.0036 826 LEU 109 CD2 -0.0132 0.0053 0.0041 827 ALA 110 N -0.0122 0.0068 0.0054 828 ALA 110 CA -0.0121 0.0075 0.0057 829 ALA 110 C -0.0116 0.0079 0.0061 830 ALA 110 O -0.0115 0.0086 0.0064 831 ALA 110 CB -0.0118 0.0073 0.0057 832 ALA 111 N -0.0110 0.0075 0.0064 833 ALA 111 CA -0.0105 0.0076 0.0068 834 ALA 111 C -0.0107 0.0080 0.0068 835 ALA 111 O -0.0103 0.0083 0.0072 836 ALA 111 CB -0.0099 0.0070 0.0071 837 HIS 112 N -0.0131 0.0047 0.0050 838 HIS 112 CA -0.0134 0.0038 0.0038 839 HIS 112 C -0.0121 0.0039 0.0027 840 HIS 112 O -0.0125 0.0030 0.0017 841 HIS 112 CB -0.0142 0.0033 0.0039 842 HIS 112 CG -0.0155 0.0030 0.0047 843 HIS 112 ND1 -0.0163 0.0021 0.0040 844 HIS 112 CD2 -0.0161 0.0034 0.0059 845 HIS 112 CE1 -0.0175 0.0021 0.0052 846 HIS 112 NE2 -0.0174 0.0029 0.0064 847 LEU 113 N -0.0110 0.0046 0.0029 848 LEU 113 CA -0.0099 0.0046 0.0017 849 LEU 113 C -0.0090 0.0052 0.0017 850 LEU 113 O -0.0079 0.0059 0.0018 851 LEU 113 CB -0.0091 0.0052 0.0019 852 LEU 113 CG -0.0098 0.0047 0.0017 853 LEU 113 CD1 -0.0090 0.0051 0.0016 854 LEU 113 CD2 -0.0106 0.0036 0.0007 855 PRO 114 N -0.0092 0.0050 0.0016 856 PRO 114 CA -0.0083 0.0056 0.0018 857 PRO 114 C -0.0070 0.0057 0.0006 858 PRO 114 O -0.0061 0.0065 0.0010 859 PRO 114 CB -0.0091 0.0048 0.0012 860 PRO 114 CG -0.0100 0.0038 0.0006 861 PRO 114 CD -0.0103 0.0041 0.0013 862 ALA 115 N -0.0045 0.0028 -0.0023 863 ALA 115 CA -0.0036 0.0029 -0.0030 864 ALA 115 C -0.0028 0.0038 -0.0031 865 ALA 115 O -0.0021 0.0042 -0.0034 866 ALA 115 CB -0.0034 0.0019 -0.0036 867 GLU 116 N -0.0029 0.0038 -0.0030 868 GLU 116 CA -0.0020 0.0044 -0.0033 869 GLU 116 C -0.0021 0.0055 -0.0027 870 GLU 116 O -0.0013 0.0061 -0.0029 871 GLU 116 CB -0.0022 0.0038 -0.0035 872 GLU 116 CG -0.0020 0.0028 -0.0042 873 GLU 116 CD -0.0029 0.0021 -0.0039 874 GLU 116 OE1 -0.0038 0.0020 -0.0033 875 GLU 116 OE2 -0.0029 0.0010 -0.0045 876 PHE 117 N -0.0028 0.0058 -0.0020 877 PHE 117 CA -0.0030 0.0068 -0.0013 878 PHE 117 C -0.0025 0.0077 -0.0012 879 PHE 117 O -0.0030 0.0081 -0.0006 880 PHE 117 CB -0.0040 0.0068 -0.0006 881 PHE 117 CG -0.0042 0.0077 0.0001 882 PHE 117 CD1 -0.0040 0.0078 -0.0001 883 PHE 117 CD2 -0.0045 0.0084 0.0007 884 PHE 117 CE1 -0.0042 0.0086 0.0005 885 PHE 117 CE2 -0.0046 0.0094 0.0013 886 PHE 117 CZ -0.0044 0.0094 0.0011 887 THR 118 N 0.0027 0.0110 -0.0056 888 THR 118 CA 0.0034 0.0093 -0.0055 889 THR 118 C 0.0035 0.0089 -0.0049 890 THR 118 O 0.0031 0.0097 -0.0039 891 THR 118 CB 0.0035 0.0089 -0.0043 892 THR 118 OG1 0.0033 0.0093 -0.0026 893 THR 118 CG2 0.0035 0.0090 -0.0051 894 PRO 119 N 0.0041 0.0073 -0.0047 895 PRO 119 CA 0.0044 0.0067 -0.0039 896 PRO 119 C 0.0041 0.0071 -0.0022 897 PRO 119 O 0.0039 0.0076 -0.0014 898 PRO 119 CB 0.0051 0.0049 -0.0042 899 PRO 119 CG 0.0052 0.0047 -0.0059 900 PRO 119 CD 0.0047 0.0061 -0.0059 901 ALA 120 N 0.0042 0.0069 -0.0012 902 ALA 120 CA 0.0040 0.0072 0.0005 903 ALA 120 C 0.0032 0.0090 0.0010 904 ALA 120 O 0.0030 0.0096 0.0021 905 ALA 120 CB 0.0042 0.0066 0.0017 906 VAL 121 N 0.0016 0.0076 0.0013 907 VAL 121 CA 0.0014 0.0085 0.0014 908 VAL 121 C 0.0012 0.0090 0.0011 909 VAL 121 O 0.0010 0.0097 0.0015 910 VAL 121 CB 0.0012 0.0088 0.0009 911 VAL 121 CG1 0.0009 0.0099 0.0009 912 VAL 121 CG2 0.0014 0.0086 0.0014 913 HIS 122 N 0.0011 0.0087 0.0004 914 HIS 122 CA 0.0009 0.0090 -0.0000 915 HIS 122 C 0.0011 0.0091 0.0009 916 HIS 122 O 0.0009 0.0097 0.0009 917 HIS 122 CB 0.0009 0.0085 -0.0008 918 HIS 122 CG 0.0008 0.0086 -0.0012 919 HIS 122 ND1 0.0008 0.0082 -0.0021 920 HIS 122 CD2 0.0007 0.0092 -0.0011 921 HIS 122 CE1 0.0006 0.0086 -0.0024 922 HIS 122 NE2 0.0005 0.0092 -0.0017 923 ALA 123 N 0.0014 0.0084 0.0012 924 ALA 123 CA 0.0016 0.0083 0.0019 925 ALA 123 C 0.0015 0.0090 0.0027 926 ALA 123 O 0.0014 0.0094 0.0030 927 ALA 123 CB 0.0019 0.0074 0.0022 928 SER 124 N -0.0004 0.0080 0.0029 929 SER 124 CA -0.0007 0.0077 0.0026 930 SER 124 C -0.0005 0.0071 0.0027 931 SER 124 O -0.0007 0.0066 0.0025 932 SER 124 CB -0.0010 0.0080 0.0024 933 SER 124 OG -0.0013 0.0085 0.0022 934 LEU 125 N -0.0002 0.0072 0.0031 935 LEU 125 CA 0.0000 0.0066 0.0032 936 LEU 125 C 0.0002 0.0062 0.0034 937 LEU 125 O 0.0002 0.0056 0.0033 938 LEU 125 CB 0.0004 0.0068 0.0036 939 LEU 125 CG 0.0003 0.0071 0.0035 940 LEU 125 CD1 0.0007 0.0074 0.0039 941 LEU 125 CD2 0.0001 0.0067 0.0033 942 ASP 126 N 0.0004 0.0063 0.0036 943 ASP 126 CA 0.0006 0.0059 0.0037 944 ASP 126 C 0.0002 0.0055 0.0033 945 ASP 126 O 0.0002 0.0050 0.0032 946 ASP 126 CB 0.0008 0.0062 0.0039 947 ASP 126 CG 0.0011 0.0058 0.0042 948 ASP 126 OD1 0.0013 0.0054 0.0043 949 ASP 126 OD2 0.0010 0.0057 0.0041 950 LYS 127 N -0.0023 0.0028 0.0060 951 LYS 127 CA -0.0016 0.0031 0.0046 952 LYS 127 C -0.0014 0.0014 0.0039 953 LYS 127 O -0.0011 0.0014 0.0033 954 LYS 127 CB -0.0012 0.0047 0.0036 955 LYS 127 CG -0.0009 0.0049 0.0028 956 LYS 127 CD -0.0006 0.0070 0.0023 957 LYS 127 CE 0.0001 0.0070 0.0007 958 LYS 127 NZ 0.0007 0.0081 -0.0005 959 PHE 128 N -0.0013 0.0002 0.0037 960 PHE 128 CA -0.0011 -0.0015 0.0030 961 PHE 128 C -0.0015 -0.0023 0.0040 962 PHE 128 O -0.0012 -0.0029 0.0032 963 PHE 128 CB -0.0011 -0.0028 0.0030 964 PHE 128 CG -0.0009 -0.0046 0.0025 965 PHE 128 CD1 -0.0002 -0.0050 0.0008 966 PHE 128 CD2 -0.0014 -0.0058 0.0035 967 PHE 128 CE1 -0.0001 -0.0068 0.0006 968 PHE 128 CE2 -0.0014 -0.0078 0.0034 969 PHE 128 CZ -0.0007 -0.0080 0.0018 970 LEU 129 N -0.0022 -0.0022 0.0057 971 LEU 129 CA -0.0026 -0.0031 0.0065 972 LEU 129 C -0.0026 -0.0020 0.0066 973 LEU 129 O -0.0026 -0.0027 0.0065 974 LEU 129 CB -0.0034 -0.0034 0.0083 975 LEU 129 CG -0.0036 -0.0047 0.0087 976 LEU 129 CD1 -0.0043 -0.0047 0.0102 977 LEU 129 CD2 -0.0034 -0.0067 0.0081 978 ALA 130 N -0.0027 -0.0090 0.0066 979 ALA 130 CA -0.0032 -0.0094 0.0051 980 ALA 130 C -0.0035 -0.0104 0.0031 981 ALA 130 O -0.0032 -0.0117 0.0019 982 ALA 130 CB -0.0045 -0.0077 0.0049 983 SER 131 N -0.0042 -0.0098 0.0026 984 SER 131 CA -0.0045 -0.0107 0.0008 985 SER 131 C -0.0030 -0.0126 0.0008 986 SER 131 O -0.0031 -0.0137 -0.0009 987 SER 131 CB -0.0055 -0.0095 0.0004 988 SER 131 OG -0.0066 -0.0082 0.0002 989 VAL 132 N -0.0023 -0.0125 0.0024 990 VAL 132 CA -0.0009 -0.0144 0.0023 991 VAL 132 C -0.0002 -0.0154 0.0022 992 VAL 132 O 0.0003 -0.0171 0.0008 993 VAL 132 CB -0.0001 -0.0143 0.0041 994 VAL 132 CG1 0.0015 -0.0160 0.0047 995 VAL 132 CG2 -0.0006 -0.0134 0.0045 996 SER 133 N -0.0004 -0.0163 0.0022 997 SER 133 CA -0.0001 -0.0162 -0.0004 998 SER 133 C -0.0006 -0.0163 -0.0024 999 SER 133 O 0.0011 -0.0159 -0.0042 1000 SER 133 CB -0.0019 -0.0165 -0.0008 1001 SER 133 OG -0.0013 -0.0164 0.0007 1002 THR 134 N -0.0023 -0.0166 -0.0022 1003 THR 134 CA -0.0025 -0.0166 -0.0040 1004 THR 134 C -0.0007 -0.0163 -0.0038 1005 THR 134 O 0.0002 -0.0160 -0.0058 1006 THR 134 CB -0.0052 -0.0172 -0.0031 1007 THR 134 OG1 -0.0071 -0.0176 -0.0037 1008 THR 134 CG2 -0.0057 -0.0173 -0.0046 1009 VAL 135 N 0.0005 -0.0160 -0.0016 1010 VAL 135 CA 0.0025 -0.0156 -0.0013 1011 VAL 135 C 0.0049 -0.0151 -0.0022 1012 VAL 135 O 0.0063 -0.0148 -0.0038 1013 VAL 135 CB 0.0030 -0.0156 0.0018 1014 VAL 135 CG1 0.0056 -0.0151 0.0022 1015 VAL 135 CG2 0.0007 -0.0161 0.0028 1016 LEU 136 N 0.0046 -0.0138 -0.0040 1017 LEU 136 CA 0.0041 -0.0118 -0.0051 1018 LEU 136 C 0.0036 -0.0091 -0.0065 1019 LEU 136 O 0.0037 -0.0070 -0.0072 1020 LEU 136 CB 0.0024 -0.0130 -0.0057 1021 LEU 136 CG 0.0032 -0.0147 -0.0045 1022 LEU 136 CD1 0.0011 -0.0160 -0.0053 1023 LEU 136 CD2 0.0057 -0.0140 -0.0033 1024 THR 137 N 0.0026 -0.0095 -0.0069 1025 THR 137 CA 0.0016 -0.0071 -0.0085 1026 THR 137 C 0.0035 -0.0062 -0.0077 1027 THR 137 O 0.0031 -0.0042 -0.0087 1028 THR 137 CB -0.0010 -0.0088 -0.0094 1029 THR 137 OG1 -0.0024 -0.0086 -0.0103 1030 THR 137 CG2 -0.0010 -0.0108 -0.0086 1031 SER 138 N 0.0054 -0.0069 -0.0062 1032 SER 138 CA 0.0073 -0.0063 -0.0053 1033 SER 138 C 0.0087 -0.0032 -0.0057 1034 SER 138 O 0.0089 -0.0024 -0.0059 1035 SER 138 CB 0.0104 -0.0079 -0.0028 1036 SER 138 OG 0.0088 -0.0086 -0.0035 1037 LYS 139 N 0.0080 -0.0021 -0.0029 1038 LYS 139 CA 0.0084 0.0006 -0.0017 1039 LYS 139 C 0.0068 0.0021 -0.0029 1040 LYS 139 O 0.0066 0.0042 -0.0025 1041 LYS 139 CB 0.0088 0.0012 -0.0012 1042 LYS 139 CG 0.0104 -0.0003 -0.0001 1043 LYS 139 CD 0.0105 -0.0001 0.0001 1044 LYS 139 CE 0.0122 -0.0012 0.0014 1045 LYS 139 NZ 0.0117 -0.0009 0.0010 1046 TYR 140 N 0.0054 0.0015 -0.0043 1047 TYR 140 CA 0.0039 0.0028 -0.0054 1048 TYR 140 C 0.0042 0.0047 -0.0046 1049 TYR 140 O 0.0031 0.0068 -0.0051 1050 TYR 140 CB 0.0024 0.0014 -0.0072 1051 TYR 140 CG 0.0011 0.0007 -0.0086 1052 TYR 140 CD1 -0.0009 0.0008 -0.0105 1053 TYR 140 CD2 0.0015 -0.0003 -0.0085 1054 TYR 140 CE1 -0.0021 0.0001 -0.0118 1055 TYR 140 CE2 0.0001 -0.0012 -0.0100 1056 TYR 140 CZ -0.0017 -0.0009 -0.0118 1057 TYR 140 OH -0.0027 -0.0017 -0.0129 1058 ARG 141 N 0.0056 0.0043 -0.0034 1059 ARG 141 CA 0.0062 0.0060 -0.0024 1060 ARG 141 C 0.0084 0.0055 -0.0004 1061 ARG 141 O 0.0091 0.0034 -0.0003 1062 ARG 141 CB 0.0049 0.0063 -0.0035 1063 ARG 141 CG 0.0053 0.0035 -0.0039 1064 ARG 141 CD 0.0041 0.0044 -0.0048 1065 ARG 141 NE 0.0043 0.0019 -0.0053 1066 ARG 141 CZ 0.0038 0.0019 -0.0058 1067 ARG 141 NH1 0.0026 0.0035 -0.0064 1068 ARG 141 NH2 0.0041 -0.0005 -0.0061 1069 ARG 141 OXT 0.0087 0.0071 0.0003 1070 VAL 1 N 0.0221 -0.0076 -0.0009 1071 VAL 1 CA 0.0182 -0.0056 0.0012 1072 VAL 1 C 0.0131 -0.0045 -0.0021 1073 VAL 1 O 0.0144 -0.0050 -0.0023 1074 VAL 1 CB 0.0181 -0.0057 0.0006 1075 VAL 1 CG1 0.0177 -0.0041 0.0066 1076 VAL 1 CG2 0.0191 -0.0069 -0.0027 1077 HIS 2 N 0.0119 -0.0037 -0.0006 1078 HIS 2 CA 0.0085 -0.0032 -0.0039 1079 HIS 2 C 0.0059 -0.0029 -0.0066 1080 HIS 2 O 0.0037 -0.0018 -0.0053 1081 HIS 2 CB 0.0041 -0.0007 -0.0004 1082 HIS 2 CG 0.0017 0.0001 -0.0008 1083 HIS 2 ND1 -0.0013 0.0013 -0.0006 1084 HIS 2 CD2 -0.0007 0.0002 -0.0040 1085 HIS 2 CE1 -0.0058 0.0020 -0.0044 1086 HIS 2 NE2 -0.0055 0.0012 -0.0073 1087 LEU 3 N 0.0068 -0.0040 -0.0097 1088 LEU 3 CA 0.0043 -0.0039 -0.0130 1089 LEU 3 C 0.0016 -0.0037 -0.0164 1090 LEU 3 O 0.0022 -0.0040 -0.0165 1091 LEU 3 CB 0.0084 -0.0061 -0.0156 1092 LEU 3 CG 0.0115 -0.0067 -0.0133 1093 LEU 3 CD1 0.0141 -0.0083 -0.0159 1094 LEU 3 CD2 0.0094 -0.0061 -0.0142 1095 THR 4 N -0.0006 -0.0031 -0.0295 1096 THR 4 CA -0.0040 -0.0054 -0.0293 1097 THR 4 C -0.0074 -0.0100 -0.0275 1098 THR 4 O -0.0066 -0.0136 -0.0244 1099 THR 4 CB 0.0021 -0.0034 -0.0280 1100 THR 4 OG1 0.0056 -0.0073 -0.0235 1101 THR 4 CG2 0.0070 0.0015 -0.0295 1102 PRO 5 N -0.0102 -0.0121 -0.0271 1103 PRO 5 CA -0.0141 -0.0158 -0.0261 1104 PRO 5 C -0.0104 -0.0210 -0.0206 1105 PRO 5 O -0.0127 -0.0253 -0.0184 1106 PRO 5 CB -0.0182 -0.0176 -0.0267 1107 PRO 5 CG -0.0172 -0.0116 -0.0307 1108 PRO 5 CD -0.0134 -0.0076 -0.0319 1109 GLU 6 N -0.0051 -0.0186 -0.0200 1110 GLU 6 CA -0.0018 -0.0221 -0.0159 1111 GLU 6 C 0.0009 -0.0234 -0.0137 1112 GLU 6 O 0.0019 -0.0287 -0.0093 1113 GLU 6 CB 0.0047 -0.0196 -0.0148 1114 GLU 6 CG 0.0075 -0.0159 -0.0163 1115 GLU 6 CD 0.0036 -0.0104 -0.0222 1116 GLU 6 OE1 -0.0025 -0.0143 -0.0221 1117 GLU 6 OE2 0.0021 -0.0076 -0.0249 1118 GLU 7 N 0.0020 -0.0174 -0.0135 1119 GLU 7 CA 0.0036 -0.0155 -0.0155 1120 GLU 7 C -0.0023 -0.0170 -0.0135 1121 GLU 7 O -0.0013 -0.0188 -0.0117 1122 GLU 7 CB 0.0052 -0.0127 -0.0184 1123 GLU 7 CG 0.0124 -0.0116 -0.0201 1124 GLU 7 CD 0.0134 -0.0077 -0.0242 1125 GLU 7 OE1 0.0189 -0.0074 -0.0249 1126 GLU 7 OE2 0.0101 -0.0041 -0.0275 1127 LYS 8 N -0.0070 -0.0152 -0.0150 1128 LYS 8 CA -0.0120 -0.0158 -0.0140 1129 LYS 8 C -0.0128 -0.0202 -0.0094 1130 LYS 8 O -0.0148 -0.0225 -0.0069 1131 LYS 8 CB -0.0176 -0.0131 -0.0163 1132 LYS 8 CG -0.0208 -0.0141 -0.0150 1133 LYS 8 CD -0.0284 -0.0133 -0.0152 1134 LYS 8 CE -0.0330 -0.0152 -0.0130 1135 LYS 8 NZ -0.0410 -0.0153 -0.0122 1136 SER 9 N -0.0126 -0.0230 -0.0066 1137 SER 9 CA -0.0132 -0.0264 -0.0032 1138 SER 9 C -0.0088 -0.0300 0.0002 1139 SER 9 O -0.0105 -0.0325 0.0028 1140 SER 9 CB -0.0151 -0.0290 -0.0003 1141 SER 9 OG -0.0089 -0.0307 0.0009 1142 ALA 10 N -0.0081 -0.0206 0.0002 1143 ALA 10 CA -0.0055 -0.0223 0.0010 1144 ALA 10 C -0.0068 -0.0205 -0.0004 1145 ALA 10 O -0.0063 -0.0223 0.0014 1146 ALA 10 CB -0.0013 -0.0216 -0.0014 1147 VAL 11 N -0.0086 -0.0172 -0.0033 1148 VAL 11 CA -0.0104 -0.0155 -0.0044 1149 VAL 11 C -0.0139 -0.0170 -0.0014 1150 VAL 11 O -0.0138 -0.0177 -0.0007 1151 VAL 11 CB -0.0114 -0.0123 -0.0075 1152 VAL 11 CG1 -0.0142 -0.0103 -0.0086 1153 VAL 11 CG2 -0.0074 -0.0108 -0.0107 1154 THR 12 N -0.0168 -0.0169 -0.0004 1155 THR 12 CA -0.0213 -0.0175 0.0020 1156 THR 12 C -0.0205 -0.0209 0.0054 1157 THR 12 O -0.0217 -0.0220 0.0070 1158 THR 12 CB -0.0250 -0.0170 0.0030 1159 THR 12 OG1 -0.0257 -0.0141 0.0000 1160 THR 12 CG2 -0.0248 -0.0184 0.0043 1161 ALA 13 N -0.0235 -0.0121 0.0082 1162 ALA 13 CA -0.0226 -0.0155 0.0087 1163 ALA 13 C -0.0197 -0.0169 0.0081 1164 ALA 13 O -0.0195 -0.0185 0.0084 1165 ALA 13 CB -0.0220 -0.0178 0.0091 1166 LEU 14 N -0.0163 -0.0153 0.0065 1167 LEU 14 CA -0.0135 -0.0158 0.0056 1168 LEU 14 C -0.0142 -0.0146 0.0056 1169 LEU 14 O -0.0127 -0.0156 0.0053 1170 LEU 14 CB -0.0104 -0.0141 0.0041 1171 LEU 14 CG -0.0069 -0.0154 0.0033 1172 LEU 14 CD1 -0.0061 -0.0188 0.0039 1173 LEU 14 CD2 -0.0044 -0.0123 0.0017 1174 TRP 15 N -0.0159 -0.0110 0.0053 1175 TRP 15 CA -0.0163 -0.0092 0.0050 1176 TRP 15 C -0.0185 -0.0115 0.0063 1177 TRP 15 O -0.0176 -0.0110 0.0059 1178 TRP 15 CB -0.0178 -0.0057 0.0046 1179 TRP 15 CG -0.0175 -0.0034 0.0039 1180 TRP 15 CD1 -0.0197 -0.0024 0.0044 1181 TRP 15 CD2 -0.0145 -0.0017 0.0025 1182 TRP 15 NE1 -0.0186 -0.0001 0.0035 1183 TRP 15 CE2 -0.0149 0.0002 0.0021 1184 TRP 15 CE3 -0.0110 -0.0018 0.0013 1185 TRP 15 CZ2 -0.0123 0.0022 0.0007 1186 TRP 15 CZ3 -0.0085 0.0002 -0.0001 1187 TRP 15 CH2 -0.0094 0.0022 -0.0003 1188 GLY 16 N -0.0278 -0.0111 0.0123 1189 GLY 16 CA -0.0293 -0.0131 0.0134 1190 GLY 16 C -0.0271 -0.0154 0.0121 1191 GLY 16 O -0.0278 -0.0163 0.0126 1192 LYS 17 N -0.0246 -0.0164 0.0107 1193 LYS 17 CA -0.0222 -0.0187 0.0094 1194 LYS 17 C -0.0197 -0.0166 0.0078 1195 LYS 17 O -0.0173 -0.0184 0.0065 1196 LYS 17 CB -0.0203 -0.0213 0.0084 1197 LYS 17 CG -0.0233 -0.0236 0.0103 1198 LYS 17 CD -0.0222 -0.0263 0.0098 1199 LYS 17 CE -0.0248 -0.0286 0.0114 1200 LYS 17 NZ -0.0220 -0.0314 0.0100 1201 VAL 18 N -0.0193 -0.0131 0.0074 1202 VAL 18 CA -0.0167 -0.0108 0.0058 1203 VAL 18 C -0.0170 -0.0098 0.0059 1204 VAL 18 O -0.0194 -0.0083 0.0073 1205 VAL 18 CB -0.0171 -0.0071 0.0058 1206 VAL 18 CG1 -0.0148 -0.0046 0.0043 1207 VAL 18 CG2 -0.0152 -0.0087 0.0048 1208 ASN 19 N -0.0122 -0.0048 -0.0021 1209 ASN 19 CA -0.0104 -0.0030 -0.0023 1210 ASN 19 C -0.0090 -0.0004 -0.0016 1211 ASN 19 O -0.0075 -0.0003 -0.0029 1212 ASN 19 CB -0.0084 -0.0040 -0.0052 1213 ASN 19 CG -0.0063 -0.0019 -0.0055 1214 ASN 19 OD1 -0.0059 0.0000 -0.0043 1215 ASN 19 ND2 -0.0057 -0.0036 -0.0076 1216 VAL 20 N -0.0095 0.0013 0.0004 1217 VAL 20 CA -0.0087 0.0038 0.0018 1218 VAL 20 C -0.0064 0.0050 0.0005 1219 VAL 20 O -0.0049 0.0060 -0.0002 1220 VAL 20 CB -0.0100 0.0052 0.0043 1221 VAL 20 CG1 -0.0090 0.0077 0.0054 1222 VAL 20 CG2 -0.0126 0.0038 0.0058 1223 ASP 21 N -0.0048 0.0052 -0.0010 1224 ASP 21 CA -0.0021 0.0067 -0.0024 1225 ASP 21 C -0.0012 0.0052 -0.0045 1226 ASP 21 O 0.0003 0.0065 -0.0050 1227 ASP 21 CB -0.0015 0.0066 -0.0031 1228 ASP 21 CG -0.0018 0.0089 -0.0008 1229 ASP 21 OD1 -0.0020 0.0104 0.0007 1230 ASP 21 OD2 -0.0002 0.0090 -0.0023 1231 GLU 22 N -0.0044 0.0023 -0.0033 1232 GLU 22 CA -0.0030 0.0011 -0.0050 1233 GLU 22 C -0.0026 0.0015 -0.0051 1234 GLU 22 O -0.0013 0.0021 -0.0061 1235 GLU 22 CB -0.0037 -0.0012 -0.0049 1236 GLU 22 CG -0.0027 -0.0023 -0.0061 1237 GLU 22 CD -0.0025 -0.0050 -0.0070 1238 GLU 22 OE1 -0.0047 -0.0058 -0.0054 1239 GLU 22 OE2 -0.0034 -0.0058 -0.0065 1240 VAL 23 N -0.0042 0.0011 -0.0039 1241 VAL 23 CA -0.0041 0.0013 -0.0039 1242 VAL 23 C -0.0034 0.0039 -0.0038 1243 VAL 23 O -0.0025 0.0043 -0.0045 1244 VAL 23 CB -0.0058 0.0006 -0.0026 1245 VAL 23 CG1 -0.0058 0.0014 -0.0024 1246 VAL 23 CG2 -0.0059 -0.0018 -0.0032 1247 GLY 24 N -0.0039 0.0052 -0.0030 1248 GLY 24 CA -0.0032 0.0073 -0.0030 1249 GLY 24 C -0.0014 0.0081 -0.0044 1250 GLY 24 O -0.0004 0.0090 -0.0050 1251 GLY 25 N -0.0013 0.0043 -0.0073 1252 GLY 25 CA -0.0012 0.0042 -0.0070 1253 GLY 25 C -0.0008 0.0044 -0.0068 1254 GLY 25 O -0.0007 0.0045 -0.0068 1255 GLU 26 N -0.0005 0.0045 -0.0067 1256 GLU 26 CA -0.0001 0.0047 -0.0065 1257 GLU 26 C 0.0001 0.0050 -0.0069 1258 GLU 26 O 0.0003 0.0051 -0.0068 1259 GLU 26 CB 0.0001 0.0048 -0.0064 1260 GLU 26 CG 0.0006 0.0049 -0.0060 1261 GLU 26 CD 0.0009 0.0049 -0.0056 1262 GLU 26 OE1 0.0014 0.0053 -0.0059 1263 GLU 26 OE2 0.0006 0.0048 -0.0059 1264 ALA 27 N -0.0000 0.0051 -0.0073 1265 ALA 27 CA 0.0002 0.0054 -0.0076 1266 ALA 27 C 0.0000 0.0054 -0.0078 1267 ALA 27 O 0.0002 0.0055 -0.0079 1268 ALA 27 CB 0.0001 0.0055 -0.0080 1269 LEU 28 N 0.0018 0.0049 -0.0103 1270 LEU 28 CA 0.0016 0.0045 -0.0101 1271 LEU 28 C 0.0017 0.0045 -0.0095 1272 LEU 28 O 0.0017 0.0045 -0.0092 1273 LEU 28 CB 0.0014 0.0040 -0.0105 1274 LEU 28 CG 0.0012 0.0037 -0.0104 1275 LEU 28 CD1 0.0013 0.0039 -0.0109 1276 LEU 28 CD2 0.0010 0.0031 -0.0106 1277 GLY 29 N 0.0017 0.0044 -0.0091 1278 GLY 29 CA 0.0017 0.0044 -0.0084 1279 GLY 29 C 0.0019 0.0050 -0.0082 1280 GLY 29 O 0.0019 0.0049 -0.0078 1281 ARG 30 N 0.0022 0.0055 -0.0084 1282 ARG 30 CA 0.0024 0.0060 -0.0081 1283 ARG 30 C 0.0024 0.0060 -0.0084 1284 ARG 30 O 0.0025 0.0063 -0.0080 1285 ARG 30 CB 0.0026 0.0065 -0.0083 1286 ARG 30 CG 0.0027 0.0066 -0.0078 1287 ARG 30 CD 0.0029 0.0071 -0.0081 1288 ARG 30 NE 0.0030 0.0072 -0.0078 1289 ARG 30 CZ 0.0031 0.0075 -0.0074 1290 ARG 30 NH1 0.0033 0.0079 -0.0071 1291 ARG 30 NH2 0.0031 0.0075 -0.0070 1292 LEU 31 N 0.0038 0.0048 -0.0113 1293 LEU 31 CA 0.0037 0.0049 -0.0116 1294 LEU 31 C 0.0037 0.0042 -0.0102 1295 LEU 31 O 0.0040 0.0048 -0.0096 1296 LEU 31 CB 0.0033 0.0045 -0.0133 1297 LEU 31 CG 0.0032 0.0044 -0.0138 1298 LEU 31 CD1 0.0037 0.0062 -0.0140 1299 LEU 31 CD2 0.0026 0.0033 -0.0152 1300 LEU 32 N 0.0033 0.0027 -0.0097 1301 LEU 32 CA 0.0032 0.0018 -0.0087 1302 LEU 32 C 0.0037 0.0023 -0.0069 1303 LEU 32 O 0.0038 0.0020 -0.0057 1304 LEU 32 CB 0.0026 -0.0001 -0.0086 1305 LEU 32 CG 0.0021 -0.0008 -0.0099 1306 LEU 32 CD1 0.0020 -0.0005 -0.0113 1307 LEU 32 CD2 0.0016 -0.0025 -0.0101 1308 VAL 33 N 0.0040 0.0030 -0.0064 1309 VAL 33 CA 0.0044 0.0037 -0.0049 1310 VAL 33 C 0.0050 0.0054 -0.0048 1311 VAL 33 O 0.0053 0.0056 -0.0033 1312 VAL 33 CB 0.0046 0.0039 -0.0045 1313 VAL 33 CG1 0.0051 0.0047 -0.0029 1314 VAL 33 CG2 0.0041 0.0023 -0.0042 1315 VAL 34 N 0.0005 0.0017 -0.0036 1316 VAL 34 CA 0.0003 0.0030 -0.0032 1317 VAL 34 C 0.0003 0.0023 -0.0029 1318 VAL 34 O 0.0000 0.0029 -0.0020 1319 VAL 34 CB 0.0007 0.0040 -0.0044 1320 VAL 34 CG1 0.0006 0.0053 -0.0042 1321 VAL 34 CG2 0.0007 0.0046 -0.0046 1322 TYR 35 N 0.0005 0.0011 -0.0037 1323 TYR 35 CA 0.0004 0.0004 -0.0036 1324 TYR 35 C 0.0003 -0.0013 -0.0032 1325 TYR 35 O 0.0006 -0.0021 -0.0042 1326 TYR 35 CB 0.0008 0.0005 -0.0050 1327 TYR 35 CG 0.0010 0.0021 -0.0055 1328 TYR 35 CD1 0.0007 0.0032 -0.0047 1329 TYR 35 CD2 0.0013 0.0028 -0.0067 1330 TYR 35 CE1 0.0009 0.0047 -0.0052 1331 TYR 35 CE2 0.0013 0.0042 -0.0068 1332 TYR 35 CZ 0.0012 0.0051 -0.0063 1333 TYR 35 OH 0.0013 0.0067 -0.0066 1334 PRO 36 N -0.0000 -0.0016 -0.0019 1335 PRO 36 CA -0.0001 -0.0030 -0.0015 1336 PRO 36 C -0.0001 -0.0042 -0.0017 1337 PRO 36 O -0.0000 -0.0055 -0.0019 1338 PRO 36 CB -0.0005 -0.0030 0.0001 1339 PRO 36 CG -0.0007 -0.0016 0.0006 1340 PRO 36 CD -0.0004 -0.0008 -0.0006 1341 TRP 37 N -0.0013 -0.0039 -0.0041 1342 TRP 37 CA -0.0014 -0.0055 -0.0047 1343 TRP 37 C -0.0011 -0.0064 -0.0068 1344 TRP 37 O -0.0012 -0.0081 -0.0074 1345 TRP 37 CB -0.0013 -0.0043 -0.0046 1346 TRP 37 CG -0.0008 -0.0026 -0.0058 1347 TRP 37 CD1 -0.0004 -0.0023 -0.0078 1348 TRP 37 CD2 -0.0007 -0.0004 -0.0051 1349 TRP 37 NE1 -0.0001 -0.0003 -0.0081 1350 TRP 37 CE2 -0.0002 0.0010 -0.0068 1351 TRP 37 CE3 -0.0010 0.0006 -0.0032 1352 TRP 37 CZ2 0.0001 0.0031 -0.0067 1353 TRP 37 CZ3 -0.0007 0.0026 -0.0033 1354 TRP 37 CH2 -0.0003 0.0036 -0.0048 1355 THR 38 N -0.0007 -0.0055 -0.0080 1356 THR 38 CA -0.0004 -0.0061 -0.0100 1357 THR 38 C -0.0007 -0.0083 -0.0097 1358 THR 38 O -0.0005 -0.0092 -0.0112 1359 THR 38 CB 0.0000 -0.0047 -0.0114 1360 THR 38 OG1 -0.0001 -0.0040 -0.0101 1361 THR 38 CG2 0.0003 -0.0029 -0.0115 1362 GLN 39 N -0.0011 -0.0085 -0.0080 1363 GLN 39 CA -0.0015 -0.0104 -0.0071 1364 GLN 39 C -0.0017 -0.0123 -0.0074 1365 GLN 39 O -0.0018 -0.0139 -0.0076 1366 GLN 39 CB -0.0019 -0.0101 -0.0051 1367 GLN 39 CG -0.0017 -0.0085 -0.0049 1368 GLN 39 CD -0.0022 -0.0082 -0.0026 1369 GLN 39 OE1 -0.0026 -0.0098 -0.0016 1370 GLN 39 NE2 -0.0020 -0.0064 -0.0023 1371 ARG 40 N -0.0057 -0.0147 -0.0095 1372 ARG 40 CA -0.0050 -0.0167 -0.0087 1373 ARG 40 C -0.0042 -0.0185 -0.0114 1374 ARG 40 O -0.0035 -0.0207 -0.0104 1375 ARG 40 CB -0.0055 -0.0154 -0.0079 1376 ARG 40 CG -0.0057 -0.0146 -0.0100 1377 ARG 40 CD -0.0064 -0.0128 -0.0087 1378 ARG 40 NE -0.0061 -0.0139 -0.0070 1379 ARG 40 CZ -0.0054 -0.0159 -0.0075 1380 ARG 40 NH1 -0.0052 -0.0159 -0.0098 1381 ARG 40 NH2 -0.0053 -0.0164 -0.0046 1382 PHE 41 N -0.0042 -0.0182 -0.0137 1383 PHE 41 CA -0.0035 -0.0198 -0.0159 1384 PHE 41 C -0.0028 -0.0217 -0.0168 1385 PHE 41 O -0.0023 -0.0230 -0.0184 1386 PHE 41 CB -0.0041 -0.0178 -0.0184 1387 PHE 41 CG -0.0046 -0.0163 -0.0178 1388 PHE 41 CD1 -0.0056 -0.0137 -0.0172 1389 PHE 41 CD2 -0.0042 -0.0176 -0.0177 1390 PHE 41 CE1 -0.0061 -0.0122 -0.0167 1391 PHE 41 CE2 -0.0049 -0.0156 -0.0169 1392 PHE 41 CZ -0.0058 -0.0131 -0.0164 1393 PHE 42 N -0.0031 -0.0211 -0.0156 1394 PHE 42 CA -0.0028 -0.0217 -0.0167 1395 PHE 42 C -0.0024 -0.0233 -0.0149 1396 PHE 42 O -0.0022 -0.0238 -0.0151 1397 PHE 42 CB -0.0036 -0.0194 -0.0178 1398 PHE 42 CG -0.0038 -0.0184 -0.0199 1399 PHE 42 CD1 -0.0049 -0.0152 -0.0195 1400 PHE 42 CD2 -0.0035 -0.0188 -0.0225 1401 PHE 42 CE1 -0.0051 -0.0144 -0.0218 1402 PHE 42 CE2 -0.0038 -0.0177 -0.0244 1403 PHE 42 CZ -0.0048 -0.0149 -0.0240 1404 GLU 43 N -0.0336 -0.0430 -0.0068 1405 GLU 43 CA -0.0423 -0.0404 -0.0046 1406 GLU 43 C -0.0373 -0.0417 -0.0059 1407 GLU 43 O -0.0390 -0.0352 -0.0069 1408 GLU 43 CB -0.0463 -0.0499 -0.0011 1409 GLU 43 CG -0.0444 -0.0624 0.0011 1410 GLU 43 CD -0.0602 -0.0735 0.0088 1411 GLU 43 OE1 -0.0650 -0.0679 0.0091 1412 GLU 43 OE2 -0.0505 -0.0810 0.0074 1413 SER 44 N -0.0251 -0.0434 -0.0095 1414 SER 44 CA -0.0184 -0.0399 -0.0125 1415 SER 44 C -0.0230 -0.0283 -0.0137 1416 SER 44 O -0.0137 -0.0222 -0.0181 1417 SER 44 CB -0.0076 -0.0445 -0.0149 1418 SER 44 OG 0.0012 -0.0434 -0.0180 1419 PHE 45 N -0.0209 -0.0199 -0.0163 1420 PHE 45 CA -0.0197 -0.0080 -0.0194 1421 PHE 45 C -0.0289 -0.0023 -0.0177 1422 PHE 45 O -0.0285 0.0087 -0.0204 1423 PHE 45 CB -0.0185 -0.0056 -0.0204 1424 PHE 45 CG -0.0060 -0.0078 -0.0239 1425 PHE 45 CD1 -0.0052 -0.0023 -0.0254 1426 PHE 45 CD2 0.0003 -0.0143 -0.0244 1427 PHE 45 CE1 0.0068 -0.0060 -0.0285 1428 PHE 45 CE2 0.0109 -0.0191 -0.0268 1429 PHE 45 CZ 0.0116 -0.0121 -0.0286 1430 GLY 46 N -0.0398 0.0028 -0.0246 1431 GLY 46 CA -0.0400 0.0022 -0.0211 1432 GLY 46 C -0.0319 -0.0002 -0.0212 1433 GLY 46 O -0.0280 -0.0000 -0.0285 1434 ASP 47 N -0.0307 -0.0016 -0.0160 1435 ASP 47 CA -0.0239 -0.0034 -0.0172 1436 ASP 47 C -0.0157 -0.0063 -0.0152 1437 ASP 47 O -0.0158 -0.0072 -0.0102 1438 ASP 47 CB -0.0250 -0.0047 -0.0089 1439 ASP 47 CG -0.0213 -0.0057 -0.0095 1440 ASP 47 OD1 -0.0187 -0.0076 -0.0035 1441 ASP 47 OD2 -0.0142 -0.0064 -0.0169 1442 LEU 48 N -0.0125 -0.0058 -0.0232 1443 LEU 48 CA -0.0046 -0.0078 -0.0250 1444 LEU 48 C 0.0013 -0.0094 -0.0263 1445 LEU 48 O 0.0067 -0.0104 -0.0295 1446 LEU 48 CB -0.0056 -0.0066 -0.0298 1447 LEU 48 CG -0.0097 -0.0059 -0.0271 1448 LEU 48 CD1 -0.0104 -0.0044 -0.0340 1449 LEU 48 CD2 -0.0091 -0.0073 -0.0208 1450 SER 49 N 0.0093 -0.0060 -0.0271 1451 SER 49 CA 0.0186 -0.0033 -0.0285 1452 SER 49 C 0.0223 -0.0069 -0.0215 1453 SER 49 O 0.0333 -0.0029 -0.0243 1454 SER 49 CB 0.0150 -0.0068 -0.0240 1455 SER 49 OG 0.0128 -0.0128 -0.0150 1456 THR 50 N 0.0254 -0.0087 -0.0176 1457 THR 50 CA 0.0313 -0.0097 -0.0139 1458 THR 50 C 0.0309 -0.0102 -0.0132 1459 THR 50 O 0.0226 -0.0109 -0.0149 1460 THR 50 CB 0.0314 -0.0136 -0.0075 1461 THR 50 OG1 0.0278 -0.0185 -0.0008 1462 THR 50 CG2 0.0349 -0.0152 -0.0039 1463 PRO 51 N 0.0382 -0.0107 -0.0100 1464 PRO 51 CA 0.0372 -0.0105 -0.0108 1465 PRO 51 C 0.0308 -0.0151 -0.0053 1466 PRO 51 O 0.0234 -0.0158 -0.0066 1467 PRO 51 CB 0.0461 -0.0104 -0.0081 1468 PRO 51 CG 0.0520 -0.0070 -0.0116 1469 PRO 51 CD 0.0486 -0.0085 -0.0102 1470 ASP 52 N 0.0347 -0.0173 -0.0007 1471 ASP 52 CA 0.0292 -0.0209 0.0054 1472 ASP 52 C 0.0205 -0.0177 0.0040 1473 ASP 52 O 0.0136 -0.0188 0.0073 1474 ASP 52 CB 0.0324 -0.0249 0.0094 1475 ASP 52 CG 0.0381 -0.0310 0.0153 1476 ASP 52 OD1 0.0392 -0.0310 0.0149 1477 ASP 52 OD2 0.0455 -0.0315 0.0138 1478 ALA 53 N 0.0201 -0.0134 -0.0013 1479 ALA 53 CA 0.0117 -0.0098 -0.0033 1480 ALA 53 C 0.0060 -0.0072 -0.0048 1481 ALA 53 O -0.0008 -0.0060 -0.0043 1482 ALA 53 CB 0.0126 -0.0059 -0.0083 1483 VAL 54 N 0.0114 -0.0050 -0.0091 1484 VAL 54 CA 0.0083 -0.0024 -0.0114 1485 VAL 54 C 0.0058 -0.0059 -0.0063 1486 VAL 54 O -0.0018 -0.0049 -0.0053 1487 VAL 54 CB 0.0154 0.0008 -0.0174 1488 VAL 54 CG1 0.0118 0.0023 -0.0183 1489 VAL 54 CG2 0.0187 0.0044 -0.0230 1490 MET 55 N 0.0085 -0.0038 -0.0085 1491 MET 55 CA 0.0076 -0.0052 -0.0063 1492 MET 55 C 0.0049 -0.0056 -0.0042 1493 MET 55 O 0.0036 -0.0062 -0.0026 1494 MET 55 CB 0.0104 -0.0076 -0.0050 1495 MET 55 CG 0.0132 -0.0075 -0.0068 1496 MET 55 SD 0.0124 -0.0061 -0.0080 1497 MET 55 CE 0.0114 -0.0077 -0.0055 1498 GLY 56 N 0.0049 -0.0055 -0.0043 1499 GLY 56 CA 0.0021 -0.0059 -0.0022 1500 GLY 56 C -0.0003 -0.0036 -0.0035 1501 GLY 56 O -0.0030 -0.0035 -0.0020 1502 ASN 57 N -0.0011 -0.0017 -0.0054 1503 ASN 57 CA -0.0032 0.0004 -0.0066 1504 ASN 57 C -0.0058 0.0006 -0.0054 1505 ASN 57 O -0.0058 0.0006 -0.0054 1506 ASN 57 CB -0.0025 0.0023 -0.0094 1507 ASN 57 CG -0.0050 0.0046 -0.0107 1508 ASN 57 OD1 -0.0073 0.0052 -0.0101 1509 ASN 57 ND2 -0.0042 0.0057 -0.0125 1510 PRO 58 N -0.0040 0.0108 -0.0060 1511 PRO 58 CA -0.0028 0.0110 -0.0053 1512 PRO 58 C -0.0017 0.0094 -0.0068 1513 PRO 58 O 0.0003 0.0094 -0.0060 1514 PRO 58 CB -0.0051 0.0130 -0.0039 1515 PRO 58 CG -0.0069 0.0130 -0.0045 1516 PRO 58 CD -0.0075 0.0123 -0.0056 1517 LYS 59 N -0.0034 0.0081 -0.0089 1518 LYS 59 CA -0.0027 0.0063 -0.0107 1519 LYS 59 C -0.0001 0.0047 -0.0116 1520 LYS 59 O 0.0019 0.0039 -0.0117 1521 LYS 59 CB -0.0049 0.0055 -0.0124 1522 LYS 59 CG -0.0069 0.0065 -0.0121 1523 LYS 59 CD -0.0087 0.0071 -0.0120 1524 LYS 59 CE -0.0108 0.0084 -0.0113 1525 LYS 59 NZ -0.0135 0.0075 -0.0133 1526 VAL 60 N 0.0000 0.0050 -0.0113 1527 VAL 60 CA 0.0024 0.0037 -0.0118 1528 VAL 60 C 0.0049 0.0042 -0.0104 1529 VAL 60 O 0.0074 0.0033 -0.0104 1530 VAL 60 CB 0.0022 0.0034 -0.0123 1531 VAL 60 CG1 0.0050 0.0028 -0.0119 1532 VAL 60 CG2 -0.0001 0.0025 -0.0141 1533 LYS 61 N 0.0048 0.0057 -0.0085 1534 LYS 61 CA 0.0052 0.0051 -0.0067 1535 LYS 61 C 0.0046 0.0059 -0.0055 1536 LYS 61 O 0.0051 0.0052 -0.0047 1537 LYS 61 CB 0.0048 0.0057 -0.0057 1538 LYS 61 CG 0.0054 0.0049 -0.0061 1539 LYS 61 CD 0.0047 0.0058 -0.0052 1540 LYS 61 CE 0.0059 0.0042 -0.0050 1541 LYS 61 NZ 0.0052 0.0051 -0.0044 1542 ALA 62 N 0.0036 0.0072 -0.0058 1543 ALA 62 CA 0.0031 0.0078 -0.0049 1544 ALA 62 C 0.0036 0.0072 -0.0056 1545 ALA 62 O 0.0036 0.0072 -0.0047 1546 ALA 62 CB 0.0018 0.0094 -0.0054 1547 HIS 63 N 0.0036 0.0073 -0.0074 1548 HIS 63 CA 0.0041 0.0066 -0.0081 1549 HIS 63 C 0.0054 0.0050 -0.0074 1550 HIS 63 O 0.0056 0.0047 -0.0067 1551 HIS 63 CB 0.0041 0.0066 -0.0100 1552 HIS 63 CG 0.0043 0.0065 -0.0110 1553 HIS 63 ND1 0.0036 0.0072 -0.0101 1554 HIS 63 CD2 0.0053 0.0052 -0.0117 1555 HIS 63 CE1 0.0043 0.0065 -0.0112 1556 HIS 63 NE2 0.0050 0.0055 -0.0120 1557 GLY 64 N 0.0060 0.0124 -0.0081 1558 GLY 64 CA 0.0040 0.0088 -0.0071 1559 GLY 64 C 0.0018 0.0076 -0.0043 1560 GLY 64 O -0.0001 0.0064 -0.0021 1561 LYS 65 N 0.0021 0.0087 -0.0041 1562 LYS 65 CA 0.0003 0.0086 -0.0014 1563 LYS 65 C -0.0011 0.0107 0.0019 1564 LYS 65 O -0.0031 0.0096 0.0043 1565 LYS 65 CB 0.0009 0.0090 -0.0021 1566 LYS 65 CG 0.0012 0.0106 -0.0017 1567 LYS 65 CD 0.0019 0.0105 -0.0028 1568 LYS 65 CE -0.0005 0.0133 0.0025 1569 LYS 65 NZ 0.0016 0.0164 0.0010 1570 LYS 66 N 0.0002 0.0139 0.0017 1571 LYS 66 CA -0.0007 0.0158 0.0042 1572 LYS 66 C -0.0021 0.0150 0.0058 1573 LYS 66 O -0.0040 0.0153 0.0089 1574 LYS 66 CB 0.0011 0.0202 0.0038 1575 LYS 66 CG 0.0006 0.0230 0.0063 1576 LYS 66 CD 0.0025 0.0270 0.0054 1577 LYS 66 CE 0.0002 0.0290 0.0101 1578 LYS 66 NZ 0.0019 0.0337 0.0102 1579 VAL 67 N -0.0033 0.0207 -0.0003 1580 VAL 67 CA -0.0037 0.0186 0.0004 1581 VAL 67 C -0.0042 0.0164 0.0015 1582 VAL 67 O -0.0046 0.0156 0.0036 1583 VAL 67 CB -0.0034 0.0180 -0.0022 1584 VAL 67 CG1 -0.0037 0.0154 -0.0023 1585 VAL 67 CG2 -0.0028 0.0202 -0.0033 1586 LEU 68 N -0.0042 0.0155 0.0007 1587 LEU 68 CA -0.0047 0.0133 0.0020 1588 LEU 68 C -0.0051 0.0138 0.0047 1589 LEU 68 O -0.0056 0.0120 0.0063 1590 LEU 68 CB -0.0047 0.0120 0.0004 1591 LEU 68 CG -0.0049 0.0092 -0.0003 1592 LEU 68 CD1 -0.0052 0.0087 0.0010 1593 LEU 68 CD2 -0.0050 0.0083 -0.0008 1594 GLY 69 N -0.0048 0.0160 0.0053 1595 GLY 69 CA -0.0051 0.0166 0.0075 1596 GLY 69 C -0.0055 0.0167 0.0099 1597 GLY 69 O -0.0059 0.0156 0.0116 1598 ALA 70 N -0.0073 0.0254 0.0084 1599 ALA 70 CA -0.0076 0.0257 0.0089 1600 ALA 70 C -0.0065 0.0220 0.0093 1601 ALA 70 O -0.0070 0.0209 0.0115 1602 ALA 70 CB -0.0074 0.0284 0.0062 1603 PHE 71 N -0.0047 0.0197 0.0066 1604 PHE 71 CA -0.0035 0.0158 0.0069 1605 PHE 71 C -0.0043 0.0134 0.0110 1606 PHE 71 O -0.0045 0.0121 0.0125 1607 PHE 71 CB -0.0016 0.0141 0.0037 1608 PHE 71 CG -0.0003 0.0101 0.0035 1609 PHE 71 CD1 0.0008 0.0095 0.0014 1610 PHE 71 CD2 0.0001 0.0066 0.0055 1611 PHE 71 CE1 0.0022 0.0058 0.0009 1612 PHE 71 CE2 0.0014 0.0034 0.0049 1613 PHE 71 CZ 0.0025 0.0028 0.0025 1614 SER 72 N -0.0049 0.0136 0.0121 1615 SER 72 CA -0.0057 0.0116 0.0159 1616 SER 72 C -0.0072 0.0126 0.0187 1617 SER 72 O -0.0075 0.0101 0.0215 1618 SER 72 CB -0.0058 0.0118 0.0160 1619 SER 72 OG -0.0063 0.0097 0.0189 1620 ASP 73 N -0.0072 0.0190 0.0175 1621 ASP 73 CA -0.0073 0.0199 0.0210 1622 ASP 73 C -0.0063 0.0174 0.0204 1623 ASP 73 O -0.0055 0.0158 0.0234 1624 ASP 73 CB -0.0094 0.0251 0.0203 1625 ASP 73 CG -0.0106 0.0282 0.0225 1626 ASP 73 OD1 -0.0099 0.0269 0.0244 1627 ASP 73 OD2 -0.0119 0.0312 0.0215 1628 GLY 74 N -0.0059 0.0156 0.0164 1629 GLY 74 CA -0.0047 0.0126 0.0156 1630 GLY 74 C -0.0030 0.0088 0.0172 1631 GLY 74 O -0.0016 0.0055 0.0184 1632 LEU 75 N -0.0023 0.0071 0.0183 1633 LEU 75 CA -0.0006 0.0033 0.0199 1634 LEU 75 C -0.0003 0.0033 0.0250 1635 LEU 75 O 0.0012 -0.0001 0.0266 1636 LEU 75 CB -0.0002 0.0023 0.0203 1637 LEU 75 CG -0.0005 0.0025 0.0163 1638 LEU 75 CD1 -0.0002 0.0015 0.0154 1639 LEU 75 CD2 0.0006 -0.0008 0.0127 1640 ALA 76 N 0.0006 0.0078 0.0241 1641 ALA 76 CA -0.0004 0.0075 0.0283 1642 ALA 76 C -0.0010 0.0083 0.0285 1643 ALA 76 O -0.0012 0.0076 0.0310 1644 ALA 76 CB -0.0040 0.0116 0.0315 1645 HIS 77 N 0.0001 0.0092 0.0224 1646 HIS 77 CA -0.0006 0.0106 0.0213 1647 HIS 77 C 0.0027 0.0074 0.0173 1648 HIS 77 O 0.0027 0.0088 0.0138 1649 HIS 77 CB -0.0027 0.0149 0.0184 1650 HIS 77 CG -0.0062 0.0183 0.0227 1651 HIS 77 ND1 -0.0081 0.0206 0.0240 1652 HIS 77 CD2 -0.0074 0.0180 0.0279 1653 HIS 77 CE1 -0.0101 0.0220 0.0276 1654 HIS 77 NE2 -0.0100 0.0210 0.0299 1655 LEU 78 N 0.0053 0.0033 0.0181 1656 LEU 78 CA 0.0084 0.0005 0.0140 1657 LEU 78 C 0.0094 -0.0010 0.0139 1658 LEU 78 O 0.0103 -0.0007 0.0094 1659 LEU 78 CB 0.0113 -0.0046 0.0160 1660 LEU 78 CG 0.0116 -0.0043 0.0139 1661 LEU 78 CD1 0.0132 -0.0082 0.0177 1662 LEU 78 CD2 0.0120 -0.0027 0.0087 1663 ASP 79 N 0.0083 0.0041 0.0149 1664 ASP 79 CA 0.0082 0.0054 0.0134 1665 ASP 79 C 0.0068 0.0092 0.0099 1666 ASP 79 O 0.0053 0.0111 0.0088 1667 ASP 79 CB 0.0041 0.0054 0.0167 1668 ASP 79 CG 0.0054 0.0026 0.0191 1669 ASP 79 OD1 0.0030 0.0019 0.0219 1670 ASP 79 OD2 0.0100 0.0002 0.0185 1671 ASN 80 N 0.0046 0.0105 0.0100 1672 ASN 80 CA 0.0015 0.0147 0.0073 1673 ASN 80 C 0.0030 0.0147 0.0061 1674 ASN 80 O 0.0003 0.0164 0.0062 1675 ASN 80 CB -0.0025 0.0157 0.0094 1676 ASN 80 CG -0.0057 0.0199 0.0067 1677 ASN 80 OD1 -0.0026 0.0211 0.0028 1678 ASN 80 ND2 -0.0087 0.0201 0.0089 1679 LEU 81 N 0.0069 0.0137 0.0042 1680 LEU 81 CA 0.0070 0.0151 0.0025 1681 LEU 81 C 0.0051 0.0184 -0.0000 1682 LEU 81 O 0.0039 0.0199 -0.0010 1683 LEU 81 CB 0.0112 0.0127 0.0020 1684 LEU 81 CG 0.0136 0.0091 0.0046 1685 LEU 81 CD1 0.0181 0.0074 0.0031 1686 LEU 81 CD2 0.0122 0.0078 0.0073 1687 LYS 82 N 0.0126 0.0237 -0.0070 1688 LYS 82 CA 0.0092 0.0240 -0.0106 1689 LYS 82 C 0.0030 0.0222 -0.0118 1690 LYS 82 O -0.0013 0.0207 -0.0121 1691 LYS 82 CB 0.0125 0.0278 -0.0166 1692 LYS 82 CG 0.0181 0.0300 -0.0169 1693 LYS 82 CD 0.0212 0.0342 -0.0240 1694 LYS 82 CE 0.0190 0.0342 -0.0258 1695 LYS 82 NZ 0.0200 0.0391 -0.0364 1696 GLY 83 N 0.0004 0.0216 -0.0127 1697 GLY 83 CA -0.0074 0.0191 -0.0136 1698 GLY 83 C -0.0099 0.0156 -0.0079 1699 GLY 83 O -0.0159 0.0137 -0.0086 1700 THR 84 N -0.0067 0.0145 -0.0024 1701 THR 84 CA -0.0084 0.0110 0.0042 1702 THR 84 C -0.0107 0.0099 0.0047 1703 THR 84 O -0.0141 0.0074 0.0075 1704 THR 84 CB -0.0043 0.0099 0.0102 1705 THR 84 OG1 -0.0045 0.0106 0.0084 1706 THR 84 CG2 -0.0070 0.0067 0.0152 1707 PHE 85 N 0.0014 0.0089 -0.0016 1708 PHE 85 CA 0.0021 0.0070 0.0039 1709 PHE 85 C 0.0015 0.0051 0.0033 1710 PHE 85 O 0.0021 0.0040 0.0076 1711 PHE 85 CB 0.0040 0.0107 0.0087 1712 PHE 85 CG 0.0044 0.0110 0.0100 1713 PHE 85 CD1 0.0053 0.0155 0.0089 1714 PHE 85 CD2 0.0037 0.0062 0.0125 1715 PHE 85 CE1 0.0054 0.0149 0.0104 1716 PHE 85 CE2 0.0043 0.0072 0.0140 1717 PHE 85 CZ 0.0050 0.0111 0.0130 1718 ALA 86 N 0.0006 0.0054 -0.0013 1719 ALA 86 CA 0.0001 0.0039 -0.0020 1720 ALA 86 C -0.0007 -0.0011 0.0003 1721 ALA 86 O -0.0002 -0.0018 0.0034 1722 ALA 86 CB -0.0011 0.0047 -0.0081 1723 THR 87 N -0.0021 -0.0053 -0.0011 1724 THR 87 CA -0.0027 -0.0102 0.0014 1725 THR 87 C -0.0017 -0.0113 0.0078 1726 THR 87 O -0.0016 -0.0133 0.0107 1727 THR 87 CB -0.0046 -0.0161 -0.0004 1728 THR 87 OG1 -0.0056 -0.0160 -0.0053 1729 THR 87 CG2 -0.0059 -0.0220 0.0004 1730 LEU 88 N 0.0039 -0.0105 0.0083 1731 LEU 88 CA 0.0047 -0.0106 0.0140 1732 LEU 88 C 0.0065 -0.0080 0.0151 1733 LEU 88 O 0.0063 -0.0092 0.0192 1734 LEU 88 CB 0.0063 -0.0088 0.0172 1735 LEU 88 CG 0.0043 -0.0120 0.0179 1736 LEU 88 CD1 0.0065 -0.0095 0.0214 1737 LEU 88 CD2 0.0026 -0.0157 0.0224 1738 SER 89 N 0.0085 -0.0041 0.0113 1739 SER 89 CA 0.0103 -0.0015 0.0121 1740 SER 89 C 0.0082 -0.0047 0.0119 1741 SER 89 O 0.0083 -0.0053 0.0153 1742 SER 89 CB 0.0123 0.0027 0.0074 1743 SER 89 OG 0.0141 0.0053 0.0081 1744 GLU 90 N 0.0060 -0.0069 0.0069 1745 GLU 90 CA 0.0035 -0.0107 0.0067 1746 GLU 90 C 0.0015 -0.0147 0.0107 1747 GLU 90 O 0.0014 -0.0154 0.0131 1748 GLU 90 CB 0.0008 -0.0132 -0.0002 1749 GLU 90 CG 0.0029 -0.0092 -0.0035 1750 GLU 90 CD 0.0002 -0.0114 -0.0116 1751 GLU 90 OE1 -0.0014 -0.0140 -0.0109 1752 GLU 90 OE2 0.0001 -0.0112 -0.0133 1753 LEU 91 N 0.0058 -0.0133 0.0132 1754 LEU 91 CA 0.0048 -0.0144 0.0152 1755 LEU 91 C 0.0050 -0.0137 0.0172 1756 LEU 91 O 0.0041 -0.0147 0.0185 1757 LEU 91 CB 0.0047 -0.0145 0.0154 1758 LEU 91 CG 0.0037 -0.0155 0.0176 1759 LEU 91 CD1 0.0022 -0.0178 0.0168 1760 LEU 91 CD2 0.0037 -0.0153 0.0188 1761 HIS 92 N 0.0063 -0.0117 0.0176 1762 HIS 92 CA 0.0064 -0.0111 0.0198 1763 HIS 92 C 0.0065 -0.0109 0.0196 1764 HIS 92 O 0.0061 -0.0112 0.0214 1765 HIS 92 CB 0.0079 -0.0088 0.0204 1766 HIS 92 CG 0.0078 -0.0087 0.0218 1767 HIS 92 ND1 0.0079 -0.0088 0.0205 1768 HIS 92 CD2 0.0078 -0.0082 0.0241 1769 HIS 92 CE1 0.0077 -0.0087 0.0225 1770 HIS 92 NE2 0.0078 -0.0081 0.0243 1771 CYS 93 N 0.0069 -0.0108 0.0174 1772 CYS 93 CA 0.0068 -0.0111 0.0171 1773 CYS 93 C 0.0052 -0.0134 0.0171 1774 CYS 93 O 0.0048 -0.0137 0.0183 1775 CYS 93 CB 0.0078 -0.0102 0.0149 1776 CYS 93 SG 0.0077 -0.0105 0.0139 1777 ASP 94 N 0.0056 -0.0190 0.0180 1778 ASP 94 CA 0.0052 -0.0208 0.0181 1779 ASP 94 C 0.0042 -0.0196 0.0182 1780 ASP 94 O 0.0029 -0.0208 0.0185 1781 ASP 94 CB 0.0075 -0.0217 0.0178 1782 ASP 94 CG 0.0092 -0.0235 0.0176 1783 ASP 94 OD1 0.0078 -0.0241 0.0178 1784 ASP 94 OD2 0.0108 -0.0232 0.0173 1785 LYS 95 N 0.0044 -0.0174 0.0181 1786 LYS 95 CA 0.0031 -0.0166 0.0183 1787 LYS 95 C 0.0014 -0.0150 0.0185 1788 LYS 95 O -0.0003 -0.0149 0.0187 1789 LYS 95 CB 0.0053 -0.0152 0.0179 1790 LYS 95 CG 0.0074 -0.0168 0.0176 1791 LYS 95 CD 0.0060 -0.0188 0.0179 1792 LYS 95 CE 0.0080 -0.0200 0.0176 1793 LYS 95 NZ 0.0073 -0.0219 0.0178 1794 LEU 96 N 0.0015 -0.0133 0.0184 1795 LEU 96 CA -0.0004 -0.0118 0.0186 1796 LEU 96 C -0.0025 -0.0125 0.0190 1797 LEU 96 O -0.0043 -0.0115 0.0192 1798 LEU 96 CB 0.0006 -0.0094 0.0184 1799 LEU 96 CG 0.0029 -0.0083 0.0180 1800 LEU 96 CD1 0.0037 -0.0061 0.0178 1801 LEU 96 CD2 0.0014 -0.0077 0.0182 1802 HIS 97 N -0.0030 -0.0128 0.0075 1803 HIS 97 CA -0.0029 -0.0126 0.0076 1804 HIS 97 C -0.0022 -0.0117 0.0085 1805 HIS 97 O -0.0024 -0.0115 0.0092 1806 HIS 97 CB -0.0038 -0.0133 0.0079 1807 HIS 97 CG -0.0046 -0.0143 0.0071 1808 HIS 97 ND1 -0.0042 -0.0146 0.0058 1809 HIS 97 CD2 -0.0055 -0.0148 0.0076 1810 HIS 97 CE1 -0.0050 -0.0154 0.0055 1811 HIS 97 NE2 -0.0058 -0.0156 0.0065 1812 VAL 98 N -0.0014 -0.0110 0.0084 1813 VAL 98 CA -0.0008 -0.0101 0.0093 1814 VAL 98 C 0.0002 -0.0096 0.0086 1815 VAL 98 O 0.0009 -0.0094 0.0078 1816 VAL 98 CB -0.0004 -0.0095 0.0096 1817 VAL 98 CG1 0.0002 -0.0086 0.0105 1818 VAL 98 CG2 -0.0014 -0.0100 0.0104 1819 ASP 99 N 0.0003 -0.0092 0.0091 1820 ASP 99 CA 0.0011 -0.0088 0.0086 1821 ASP 99 C 0.0020 -0.0079 0.0088 1822 ASP 99 O 0.0021 -0.0074 0.0098 1823 ASP 99 CB 0.0010 -0.0085 0.0095 1824 ASP 99 CG 0.0019 -0.0078 0.0092 1825 ASP 99 OD1 0.0016 -0.0077 0.0099 1826 ASP 99 OD2 0.0027 -0.0076 0.0084 1827 PRO 100 N 0.0055 -0.0021 0.0104 1828 PRO 100 CA 0.0049 -0.0021 0.0099 1829 PRO 100 C 0.0022 -0.0027 0.0085 1830 PRO 100 O 0.0019 -0.0023 0.0074 1831 PRO 100 CB 0.0050 -0.0033 0.0123 1832 PRO 100 CG 0.0061 -0.0037 0.0140 1833 PRO 100 CD 0.0061 -0.0031 0.0130 1834 GLU 101 N 0.0009 -0.0031 0.0079 1835 GLU 101 CA -0.0015 -0.0034 0.0061 1836 GLU 101 C -0.0012 -0.0019 0.0037 1837 GLU 101 O -0.0021 -0.0017 0.0024 1838 GLU 101 CB -0.0031 -0.0041 0.0060 1839 GLU 101 CG -0.0055 -0.0044 0.0043 1840 GLU 101 CD -0.0074 -0.0062 0.0057 1841 GLU 101 OE1 -0.0065 -0.0068 0.0078 1842 GLU 101 OE2 -0.0085 -0.0056 0.0036 1843 ASN 102 N 0.0012 -0.0005 0.0031 1844 ASN 102 CA 0.0017 0.0010 0.0008 1845 ASN 102 C 0.0021 0.0013 0.0007 1846 ASN 102 O 0.0015 0.0021 -0.0015 1847 ASN 102 CB 0.0041 0.0022 0.0008 1848 ASN 102 CG 0.0036 0.0023 0.0001 1849 ASN 102 OD1 0.0028 0.0026 -0.0013 1850 ASN 102 ND2 0.0049 0.0019 0.0022 1851 PHE 103 N 0.0078 0.0050 0.0053 1852 PHE 103 CA 0.0076 0.0049 0.0054 1853 PHE 103 C 0.0038 0.0035 0.0037 1854 PHE 103 O 0.0031 0.0036 0.0020 1855 PHE 103 CB 0.0088 0.0046 0.0086 1856 PHE 103 CG 0.0125 0.0059 0.0104 1857 PHE 103 CD1 0.0148 0.0077 0.0080 1858 PHE 103 CD2 0.0130 0.0052 0.0139 1859 PHE 103 CE1 0.0180 0.0089 0.0095 1860 PHE 103 CE2 0.0165 0.0065 0.0153 1861 PHE 103 CZ 0.0188 0.0084 0.0127 1862 ARG 104 N 0.0014 0.0019 0.0052 1863 ARG 104 CA -0.0021 0.0005 0.0042 1864 ARG 104 C -0.0032 0.0009 0.0004 1865 ARG 104 O -0.0053 0.0005 -0.0018 1866 ARG 104 CB -0.0043 -0.0013 0.0068 1867 ARG 104 CG -0.0039 -0.0021 0.0106 1868 ARG 104 CD -0.0054 -0.0038 0.0141 1869 ARG 104 NE -0.0026 -0.0034 0.0175 1870 ARG 104 CZ -0.0070 -0.0061 0.0197 1871 ARG 104 NH1 -0.0086 -0.0067 0.0190 1872 ARG 104 NH2 -0.0076 -0.0074 0.0235 1873 LEU 105 N -0.0020 0.0019 -0.0009 1874 LEU 105 CA -0.0027 0.0025 -0.0046 1875 LEU 105 C -0.0011 0.0040 -0.0071 1876 LEU 105 O -0.0030 0.0038 -0.0098 1877 LEU 105 CB -0.0010 0.0035 -0.0052 1878 LEU 105 CG -0.0029 0.0022 -0.0035 1879 LEU 105 CD1 -0.0005 0.0035 -0.0042 1880 LEU 105 CD2 -0.0065 0.0009 -0.0052 1881 LEU 106 N -0.0023 0.0027 -0.0058 1882 LEU 106 CA -0.0013 0.0042 -0.0064 1883 LEU 106 C -0.0017 0.0035 -0.0060 1884 LEU 106 O -0.0020 0.0042 -0.0072 1885 LEU 106 CB 0.0005 0.0054 -0.0056 1886 LEU 106 CG 0.0017 0.0071 -0.0062 1887 LEU 106 CD1 0.0010 0.0081 -0.0081 1888 LEU 106 CD2 0.0033 0.0077 -0.0050 1889 GLY 107 N -0.0018 0.0021 -0.0045 1890 GLY 107 CA -0.0020 0.0015 -0.0039 1891 GLY 107 C -0.0039 0.0008 -0.0054 1892 GLY 107 O -0.0040 0.0012 -0.0059 1893 ASN 108 N -0.0053 0.0001 -0.0062 1894 ASN 108 CA -0.0068 -0.0004 -0.0074 1895 ASN 108 C -0.0069 0.0012 -0.0094 1896 ASN 108 O -0.0077 0.0012 -0.0103 1897 ASN 108 CB -0.0082 -0.0015 -0.0077 1898 ASN 108 CG -0.0087 -0.0037 -0.0057 1899 ASN 108 OD1 -0.0082 -0.0038 -0.0049 1900 ASN 108 ND2 -0.0095 -0.0040 -0.0063 1901 VAL 109 N -0.0046 0.0029 -0.0076 1902 VAL 109 CA -0.0047 0.0031 -0.0077 1903 VAL 109 C -0.0048 0.0031 -0.0067 1904 VAL 109 O -0.0047 0.0028 -0.0066 1905 VAL 109 CB -0.0049 0.0042 -0.0082 1906 VAL 109 CG1 -0.0049 0.0045 -0.0082 1907 VAL 109 CG2 -0.0047 0.0042 -0.0095 1908 LEU 110 N -0.0050 0.0035 -0.0058 1909 LEU 110 CA -0.0051 0.0034 -0.0047 1910 LEU 110 C -0.0049 0.0023 -0.0045 1911 LEU 110 O -0.0049 0.0021 -0.0040 1912 LEU 110 CB -0.0053 0.0040 -0.0040 1913 LEU 110 CG -0.0054 0.0040 -0.0027 1914 LEU 110 CD1 -0.0055 0.0044 -0.0027 1915 LEU 110 CD2 -0.0056 0.0044 -0.0019 1916 VAL 111 N -0.0047 0.0016 -0.0046 1917 VAL 111 CA -0.0045 0.0004 -0.0043 1918 VAL 111 C -0.0043 0.0001 -0.0049 1919 VAL 111 O -0.0043 -0.0005 -0.0046 1920 VAL 111 CB -0.0043 -0.0002 -0.0046 1921 VAL 111 CG1 -0.0041 -0.0013 -0.0045 1922 VAL 111 CG2 -0.0045 0.0001 -0.0036 1923 CYS 112 N -0.0072 0.0030 -0.0011 1924 CYS 112 CA -0.0069 0.0028 -0.0010 1925 CYS 112 C -0.0074 0.0029 -0.0001 1926 CYS 112 O -0.0070 0.0025 0.0004 1927 CYS 112 CB -0.0070 0.0029 -0.0015 1928 CYS 112 SG -0.0063 0.0028 -0.0025 1929 VAL 113 N -0.0081 0.0032 -0.0001 1930 VAL 113 CA -0.0086 0.0033 0.0007 1931 VAL 113 C -0.0084 0.0031 0.0014 1932 VAL 113 O -0.0084 0.0028 0.0022 1933 VAL 113 CB -0.0095 0.0038 0.0007 1934 VAL 113 CG1 -0.0099 0.0039 0.0014 1935 VAL 113 CG2 -0.0097 0.0041 0.0001 1936 LEU 114 N -0.0083 0.0030 0.0015 1937 LEU 114 CA -0.0080 0.0027 0.0022 1938 LEU 114 C -0.0073 0.0022 0.0024 1939 LEU 114 O -0.0072 0.0020 0.0032 1940 LEU 114 CB -0.0081 0.0027 0.0020 1941 LEU 114 CG -0.0088 0.0032 0.0019 1942 LEU 114 CD1 -0.0087 0.0032 0.0015 1943 LEU 114 CD2 -0.0093 0.0033 0.0027 1944 ALA 115 N -0.0087 0.0076 0.0060 1945 ALA 115 CA -0.0079 0.0068 0.0060 1946 ALA 115 C -0.0075 0.0061 0.0063 1947 ALA 115 O -0.0073 0.0052 0.0067 1948 ALA 115 CB -0.0072 0.0074 0.0054 1949 HIS 116 N -0.0074 0.0064 0.0060 1950 HIS 116 CA -0.0069 0.0057 0.0062 1951 HIS 116 C -0.0077 0.0052 0.0068 1952 HIS 116 O -0.0075 0.0043 0.0072 1953 HIS 116 CB -0.0068 0.0063 0.0058 1954 HIS 116 CG -0.0062 0.0058 0.0058 1955 HIS 116 ND1 -0.0067 0.0059 0.0060 1956 HIS 116 CD2 -0.0054 0.0052 0.0058 1957 HIS 116 CE1 -0.0059 0.0053 0.0059 1958 HIS 116 NE2 -0.0052 0.0048 0.0059 1959 HIS 117 N -0.0087 0.0056 0.0070 1960 HIS 117 CA -0.0094 0.0051 0.0076 1961 HIS 117 C -0.0096 0.0044 0.0081 1962 HIS 117 O -0.0099 0.0037 0.0086 1963 HIS 117 CB -0.0105 0.0058 0.0078 1964 HIS 117 CG -0.0109 0.0058 0.0079 1965 HIS 117 ND1 -0.0099 0.0064 0.0072 1966 HIS 117 CD2 -0.0118 0.0055 0.0085 1967 HIS 117 CE1 -0.0104 0.0067 0.0072 1968 HIS 117 NE2 -0.0115 0.0066 0.0077 1969 PHE 118 N -0.0229 0.0017 0.0263 1970 PHE 118 CA -0.0109 0.0057 0.0264 1971 PHE 118 C -0.0057 0.0111 0.0309 1972 PHE 118 O 0.0040 0.0164 0.0334 1973 PHE 118 CB -0.0047 0.0005 0.0178 1974 PHE 118 CG -0.0078 -0.0015 0.0166 1975 PHE 118 CD1 -0.0146 -0.0096 0.0096 1976 PHE 118 CD2 -0.0072 0.0038 0.0227 1977 PHE 118 CE1 -0.0177 -0.0127 0.0072 1978 PHE 118 CE2 -0.0078 0.0004 0.0189 1979 PHE 118 CZ -0.0167 -0.0059 0.0148 1980 GLY 119 N -0.0108 0.0094 0.0308 1981 GLY 119 CA -0.0058 0.0149 0.0354 1982 GLY 119 C 0.0062 0.0144 0.0302 1983 GLY 119 O 0.0106 0.0081 0.0208 1984 LYS 120 N 0.0136 0.0211 0.0352 1985 LYS 120 CA 0.0264 0.0218 0.0310 1986 LYS 120 C 0.0345 0.0199 0.0255 1987 LYS 120 O 0.0434 0.0178 0.0196 1988 LYS 120 CB 0.0343 0.0316 0.0396 1989 LYS 120 CG 0.0370 0.0366 0.0446 1990 LYS 120 CD 0.0446 0.0459 0.0527 1991 LYS 120 CE 0.0468 0.0495 0.0561 1992 LYS 120 NZ 0.0547 0.0565 0.0614 1993 GLU 121 N 0.0149 0.0161 0.0268 1994 GLU 121 CA 0.0155 0.0150 0.0230 1995 GLU 121 C 0.0145 0.0124 0.0166 1996 GLU 121 O 0.0167 0.0118 0.0124 1997 GLU 121 CB 0.0117 0.0141 0.0249 1998 GLU 121 CG 0.0135 0.0144 0.0237 1999 GLU 121 CD 0.0069 0.0125 0.0258 2000 GLU 121 OE1 0.0097 0.0117 0.0202 2001 GLU 121 OE2 0.0082 0.0146 0.0302 2002 PHE 122 N 0.0116 0.0111 0.0164 2003 PHE 122 CA 0.0106 0.0087 0.0106 2004 PHE 122 C 0.0158 0.0101 0.0087 2005 PHE 122 O 0.0154 0.0100 0.0089 2006 PHE 122 CB 0.0050 0.0068 0.0117 2007 PHE 122 CG 0.0030 0.0040 0.0060 2008 PHE 122 CD1 0.0015 0.0023 0.0029 2009 PHE 122 CD2 0.0026 0.0032 0.0043 2010 PHE 122 CE1 -0.0008 -0.0004 -0.0022 2011 PHE 122 CE2 0.0006 0.0005 -0.0011 2012 PHE 122 CZ -0.0007 -0.0010 -0.0041 2013 THR 123 N 0.0200 0.0113 0.0071 2014 THR 123 CA 0.0254 0.0130 0.0058 2015 THR 123 C 0.0250 0.0107 -0.0001 2016 THR 123 O 0.0221 0.0086 -0.0028 2017 THR 123 CB 0.0300 0.0145 0.0048 2018 THR 123 OG1 0.0298 0.0131 0.0012 2019 THR 123 CG2 0.0310 0.0169 0.0105 2020 PRO 124 N 0.0161 0.0109 0.0060 2021 PRO 124 CA 0.0161 0.0074 0.0030 2022 PRO 124 C 0.0190 0.0051 -0.0016 2023 PRO 124 O 0.0168 0.0002 -0.0036 2024 PRO 124 CB 0.0180 0.0102 0.0037 2025 PRO 124 CG 0.0167 0.0146 0.0086 2026 PRO 124 CD 0.0175 0.0165 0.0094 2027 PRO 125 N 0.0227 0.0066 -0.0036 2028 PRO 125 CA 0.0256 0.0043 -0.0082 2029 PRO 125 C 0.0231 0.0007 -0.0090 2030 PRO 125 O 0.0230 -0.0034 -0.0123 2031 PRO 125 CB 0.0303 0.0074 -0.0100 2032 PRO 125 CG 0.0309 0.0116 -0.0069 2033 PRO 125 CD 0.0266 0.0124 -0.0024 2034 VAL 126 N 0.0210 0.0022 -0.0058 2035 VAL 126 CA 0.0181 -0.0011 -0.0060 2036 VAL 126 C 0.0136 -0.0046 -0.0048 2037 VAL 126 O 0.0124 -0.0095 -0.0078 2038 VAL 126 CB 0.0167 0.0022 -0.0019 2039 VAL 126 CG1 0.0140 -0.0014 -0.0025 2040 VAL 126 CG2 0.0209 0.0051 -0.0033 2041 GLN 127 N 0.0111 -0.0003 -0.0044 2042 GLN 127 CA 0.0088 -0.0021 -0.0052 2043 GLN 127 C 0.0094 -0.0042 -0.0080 2044 GLN 127 O 0.0079 -0.0063 -0.0096 2045 GLN 127 CB 0.0077 -0.0014 -0.0036 2046 GLN 127 CG 0.0055 -0.0036 -0.0050 2047 GLN 127 CD 0.0050 -0.0028 -0.0037 2048 GLN 127 OE1 0.0060 -0.0007 -0.0019 2049 GLN 127 NE2 0.0031 -0.0045 -0.0046 2050 ALA 128 N 0.0123 -0.0038 -0.0093 2051 ALA 128 CA 0.0135 -0.0056 -0.0122 2052 ALA 128 C 0.0135 -0.0072 -0.0140 2053 ALA 128 O 0.0124 -0.0094 -0.0159 2054 ALA 128 CB 0.0166 -0.0046 -0.0128 2055 ALA 129 N 0.0144 -0.0062 -0.0134 2056 ALA 129 CA 0.0143 -0.0073 -0.0146 2057 ALA 129 C 0.0108 -0.0086 -0.0141 2058 ALA 129 O 0.0103 -0.0109 -0.0164 2059 ALA 129 CB 0.0158 -0.0056 -0.0135 2060 TYR 130 N 0.0066 -0.0072 -0.0082 2061 TYR 130 CA 0.0053 -0.0073 -0.0084 2062 TYR 130 C 0.0052 -0.0074 -0.0095 2063 TYR 130 O 0.0042 -0.0075 -0.0101 2064 TYR 130 CB 0.0050 -0.0074 -0.0071 2065 TYR 130 CG 0.0043 -0.0074 -0.0062 2066 TYR 130 CD1 0.0029 -0.0075 -0.0061 2067 TYR 130 CD2 0.0050 -0.0074 -0.0052 2068 TYR 130 CE1 0.0024 -0.0076 -0.0053 2069 TYR 130 CE2 0.0043 -0.0074 -0.0044 2070 TYR 130 CZ 0.0030 -0.0075 -0.0044 2071 TYR 130 OH 0.0023 -0.0076 -0.0036 2072 GLN 131 N 0.0062 -0.0073 -0.0099 2073 GLN 131 CA 0.0062 -0.0073 -0.0111 2074 GLN 131 C 0.0059 -0.0073 -0.0123 2075 GLN 131 O 0.0050 -0.0074 -0.0130 2076 GLN 131 CB 0.0074 -0.0072 -0.0113 2077 GLN 131 CG 0.0076 -0.0071 -0.0102 2078 GLN 131 CD 0.0069 -0.0072 -0.0104 2079 GLN 131 OE1 0.0072 -0.0072 -0.0094 2080 GLN 131 NE2 0.0062 -0.0073 -0.0112 2081 LYS 132 N 0.0065 -0.0073 -0.0124 2082 LYS 132 CA 0.0063 -0.0073 -0.0134 2083 LYS 132 C 0.0048 -0.0074 -0.0135 2084 LYS 132 O 0.0040 -0.0075 -0.0144 2085 LYS 132 CB 0.0069 -0.0072 -0.0135 2086 LYS 132 CG 0.0084 -0.0071 -0.0139 2087 LYS 132 CD 0.0091 -0.0070 -0.0138 2088 LYS 132 CE 0.0105 -0.0069 -0.0140 2089 LYS 132 NZ 0.0110 -0.0068 -0.0140 2090 VAL 133 N 0.0067 -0.0047 -0.0059 2091 VAL 133 CA 0.0080 -0.0035 -0.0057 2092 VAL 133 C 0.0097 -0.0023 -0.0062 2093 VAL 133 O 0.0107 -0.0009 -0.0050 2094 VAL 133 CB 0.0081 -0.0040 -0.0069 2095 VAL 133 CG1 0.0096 -0.0028 -0.0070 2096 VAL 133 CG2 0.0065 -0.0049 -0.0061 2097 VAL 134 N 0.0102 -0.0027 -0.0078 2098 VAL 134 CA 0.0116 -0.0018 -0.0085 2099 VAL 134 C 0.0117 -0.0011 -0.0070 2100 VAL 134 O 0.0132 0.0004 -0.0066 2101 VAL 134 CB 0.0125 -0.0021 -0.0104 2102 VAL 134 CG1 0.0126 -0.0027 -0.0118 2103 VAL 134 CG2 0.0113 -0.0034 -0.0110 2104 ALA 135 N 0.0104 -0.0017 -0.0061 2105 ALA 135 CA 0.0104 -0.0010 -0.0046 2106 ALA 135 C 0.0107 0.0001 -0.0027 2107 ALA 135 O 0.0116 0.0013 -0.0017 2108 ALA 135 CB 0.0090 -0.0020 -0.0043 2109 GLY 136 N 0.0139 0.0089 0.0040 2110 GLY 136 CA 0.0143 0.0090 0.0044 2111 GLY 136 C 0.0159 0.0088 0.0044 2112 GLY 136 O 0.0165 0.0090 0.0053 2113 VAL 137 N 0.0165 0.0083 0.0031 2114 VAL 137 CA 0.0181 0.0082 0.0030 2115 VAL 137 C 0.0189 0.0083 0.0040 2116 VAL 137 O 0.0199 0.0084 0.0048 2117 VAL 137 CB 0.0185 0.0077 0.0015 2118 VAL 137 CG1 0.0201 0.0075 0.0015 2119 VAL 137 CG2 0.0178 0.0075 0.0005 2120 ALA 138 N 0.0185 0.0085 0.0045 2121 ALA 138 CA 0.0192 0.0087 0.0055 2122 ALA 138 C 0.0193 0.0091 0.0069 2123 ALA 138 O 0.0202 0.0092 0.0079 2124 ALA 138 CB 0.0185 0.0088 0.0056 2125 ASN 139 N 0.0226 0.0192 0.0129 2126 ASN 139 CA 0.0223 0.0198 0.0107 2127 ASN 139 C 0.0209 0.0186 0.0086 2128 ASN 139 O 0.0203 0.0180 0.0079 2129 ASN 139 CB 0.0231 0.0220 0.0090 2130 ASN 139 CG 0.0237 0.0227 0.0095 2131 ASN 139 OD1 0.0249 0.0236 0.0116 2132 ASN 139 ND2 0.0256 0.0254 0.0102 2133 ALA 140 N 0.0201 0.0173 0.0086 2134 ALA 140 CA 0.0188 0.0159 0.0070 2135 ALA 140 C 0.0179 0.0140 0.0081 2136 ALA 140 O 0.0168 0.0129 0.0068 2137 ALA 140 CB 0.0182 0.0152 0.0066 2138 LEU 141 N 0.0181 0.0132 0.0102 2139 LEU 141 CA 0.0174 0.0114 0.0114 2140 LEU 141 C 0.0175 0.0118 0.0109 2141 LEU 141 O 0.0168 0.0104 0.0114 2142 LEU 141 CB 0.0177 0.0105 0.0138 2143 LEU 141 CG 0.0169 0.0091 0.0140 2144 LEU 141 CD1 0.0173 0.0085 0.0166 2145 LEU 141 CD2 0.0154 0.0070 0.0134 2146 ALA 142 N 0.0210 0.0117 0.0132 2147 ALA 142 CA 0.0224 0.0136 0.0154 2148 ALA 142 C 0.0203 0.0152 0.0086 2149 ALA 142 O 0.0213 0.0161 0.0107 2150 ALA 142 CB 0.0253 0.0194 0.0191 2151 HIS 143 N 0.0186 0.0155 0.0040 2152 HIS 143 CA 0.0172 0.0188 -0.0022 2153 HIS 143 C 0.0157 0.0147 -0.0032 2154 HIS 143 O 0.0156 0.0179 -0.0058 2155 HIS 143 CB 0.0152 0.0183 -0.0071 2156 HIS 143 CG 0.0139 0.0226 -0.0136 2157 HIS 143 ND1 0.0107 0.0158 -0.0172 2158 HIS 143 CD2 0.0156 0.0278 -0.0127 2159 HIS 143 CE1 0.0113 0.0241 -0.0217 2160 HIS 143 NE2 0.0142 0.0300 -0.0182 2161 LYS 144 N 0.0146 0.0086 -0.0017 2162 LYS 144 CA 0.0130 0.0052 -0.0037 2163 LYS 144 C 0.0147 0.0046 0.0013 2164 LYS 144 O 0.0135 0.0004 0.0011 2165 LYS 144 CB 0.0106 -0.0009 -0.0057 2166 LYS 144 CG 0.0084 0.0006 -0.0127 2167 LYS 144 CD 0.0065 0.0007 -0.0179 2168 LYS 144 CE 0.0031 -0.0001 -0.0263 2169 LYS 144 NZ 0.0001 -0.0087 -0.0281 2170 TYR 145 N 0.0101 -0.0016 0.0105 2171 TYR 145 CA 0.0102 -0.0017 0.0121 2172 TYR 145 C 0.0101 -0.0019 0.0114 2173 TYR 145 O 0.0105 -0.0005 0.0101 2174 TYR 145 CB 0.0105 -0.0011 0.0138 2175 TYR 145 CG 0.0103 -0.0017 0.0152 2176 TYR 145 CD1 0.0102 -0.0025 0.0168 2177 TYR 145 CD2 0.0103 -0.0017 0.0142 2178 TYR 145 CE1 0.0100 -0.0032 0.0179 2179 TYR 145 CE2 0.0100 -0.0027 0.0155 2180 TYR 145 CZ 0.0099 -0.0034 0.0173 2181 TYR 145 OH 0.0098 -0.0038 0.0184 2182 HIS 146 N 0.0098 -0.0027 0.0118 2183 HIS 146 CA 0.0097 -0.0030 0.0113 2184 HIS 146 C 0.0095 -0.0039 0.0127 2185 HIS 146 O 0.0093 -0.0047 0.0141 2186 HIS 146 CB 0.0094 -0.0037 0.0094 2187 HIS 146 CG 0.0086 -0.0064 0.0100 2188 HIS 146 ND1 0.0084 -0.0069 0.0088 2189 HIS 146 CD2 0.0085 -0.0066 0.0100 2190 HIS 146 CE1 0.0076 -0.0091 0.0088 2191 HIS 146 NE2 0.0079 -0.0084 0.0103 2192 HIS 146 OXT 0.0095 -0.0038 0.0126 2193 VAL 1 N 0.0029 -0.0001 0.0055 2194 VAL 1 CA 0.0023 0.0001 0.0060 2195 VAL 1 C 0.0023 -0.0004 0.0056 2196 VAL 1 O 0.0027 -0.0005 0.0053 2197 VAL 1 CB 0.0027 0.0004 0.0059 2198 VAL 1 CG1 0.0022 0.0004 0.0063 2199 VAL 1 CG2 0.0021 0.0008 0.0066 2200 LEU 2 N 0.0020 -0.0007 0.0056 2201 LEU 2 CA 0.0019 -0.0012 0.0054 2202 LEU 2 C 0.0018 -0.0011 0.0054 2203 LEU 2 O 0.0014 -0.0011 0.0058 2204 LEU 2 CB 0.0015 -0.0015 0.0054 2205 LEU 2 CG 0.0017 -0.0018 0.0051 2206 LEU 2 CD1 0.0013 -0.0020 0.0051 2207 LEU 2 CD2 0.0021 -0.0018 0.0048 2208 SER 3 N 0.0021 -0.0011 0.0053 2209 SER 3 CA 0.0020 -0.0012 0.0053 2210 SER 3 C 0.0016 -0.0016 0.0053 2211 SER 3 O 0.0015 -0.0020 0.0051 2212 SER 3 CB 0.0024 -0.0010 0.0051 2213 SER 3 OG 0.0026 -0.0014 0.0047 2214 PRO 4 N 0.0002 -0.0033 0.0057 2215 PRO 4 CA -0.0009 -0.0043 0.0048 2216 PRO 4 C -0.0003 -0.0055 0.0030 2217 PRO 4 O -0.0015 -0.0064 0.0023 2218 PRO 4 CB -0.0009 -0.0041 0.0050 2219 PRO 4 CG -0.0003 -0.0027 0.0067 2220 PRO 4 CD 0.0008 -0.0022 0.0069 2221 ALA 5 N 0.0014 -0.0052 0.0028 2222 ALA 5 CA 0.0023 -0.0062 0.0012 2223 ALA 5 C 0.0015 -0.0066 0.0009 2224 ALA 5 O 0.0013 -0.0076 -0.0003 2225 ALA 5 CB 0.0043 -0.0061 0.0006 2226 ASP 6 N 0.0020 -0.0056 0.0020 2227 ASP 6 CA 0.0015 -0.0058 0.0020 2228 ASP 6 C -0.0006 -0.0066 0.0017 2229 ASP 6 O -0.0011 -0.0074 0.0009 2230 ASP 6 CB 0.0017 -0.0046 0.0035 2231 ASP 6 CG 0.0038 -0.0039 0.0035 2232 ASP 6 OD1 0.0051 -0.0046 0.0022 2233 ASP 6 OD2 0.0042 -0.0028 0.0049 2234 LYS 7 N -0.0023 -0.0054 0.0022 2235 LYS 7 CA -0.0047 -0.0060 0.0018 2236 LYS 7 C -0.0051 -0.0070 0.0006 2237 LYS 7 O -0.0059 -0.0078 -0.0002 2238 LYS 7 CB -0.0056 -0.0051 0.0030 2239 LYS 7 CG -0.0050 -0.0039 0.0045 2240 LYS 7 CD -0.0070 -0.0030 0.0060 2241 LYS 7 CE -0.0061 -0.0022 0.0068 2242 LYS 7 NZ -0.0061 -0.0012 0.0080 2243 THR 8 N -0.0040 -0.0075 -0.0002 2244 THR 8 CA -0.0041 -0.0088 -0.0018 2245 THR 8 C -0.0037 -0.0095 -0.0027 2246 THR 8 O -0.0046 -0.0104 -0.0037 2247 THR 8 CB -0.0029 -0.0090 -0.0023 2248 THR 8 OG1 -0.0041 -0.0085 -0.0014 2249 THR 8 CG2 -0.0034 -0.0102 -0.0037 2250 ASN 9 N -0.0020 -0.0090 -0.0025 2251 ASN 9 CA -0.0012 -0.0095 -0.0033 2252 ASN 9 C -0.0023 -0.0096 -0.0032 2253 ASN 9 O -0.0027 -0.0105 -0.0043 2254 ASN 9 CB 0.0009 -0.0089 -0.0029 2255 ASN 9 CG 0.0025 -0.0093 -0.0036 2256 ASN 9 OD1 0.0020 -0.0101 -0.0046 2257 ASN 9 ND2 0.0037 -0.0085 -0.0029 2258 VAL 10 N 0.0005 -0.0075 -0.0018 2259 VAL 10 CA -0.0011 -0.0076 -0.0015 2260 VAL 10 C -0.0042 -0.0090 -0.0024 2261 VAL 10 O -0.0045 -0.0098 -0.0033 2262 VAL 10 CB -0.0017 -0.0058 0.0007 2263 VAL 10 CG1 -0.0035 -0.0056 0.0013 2264 VAL 10 CG2 0.0008 -0.0046 0.0015 2265 LYS 11 N -0.0052 -0.0089 -0.0021 2266 LYS 11 CA -0.0075 -0.0103 -0.0032 2267 LYS 11 C -0.0072 -0.0119 -0.0050 2268 LYS 11 O -0.0083 -0.0132 -0.0062 2269 LYS 11 CB -0.0088 -0.0095 -0.0020 2270 LYS 11 CG -0.0098 -0.0079 0.0001 2271 LYS 11 CD -0.0113 -0.0078 0.0005 2272 LYS 11 CE -0.0122 -0.0063 0.0024 2273 LYS 11 NZ -0.0108 -0.0048 0.0038 2274 ALA 12 N -0.0049 -0.0122 -0.0059 2275 ALA 12 CA -0.0043 -0.0138 -0.0078 2276 ALA 12 C -0.0042 -0.0148 -0.0090 2277 ALA 12 O -0.0051 -0.0163 -0.0105 2278 ALA 12 CB -0.0023 -0.0143 -0.0089 2279 ALA 13 N -0.0013 -0.0119 -0.0049 2280 ALA 13 CA -0.0009 -0.0109 -0.0029 2281 ALA 13 C -0.0017 -0.0085 -0.0032 2282 ALA 13 O -0.0018 -0.0076 -0.0027 2283 ALA 13 CB -0.0002 -0.0114 -0.0009 2284 TRP 14 N -0.0022 -0.0071 -0.0036 2285 TRP 14 CA -0.0028 -0.0046 -0.0036 2286 TRP 14 C -0.0036 -0.0043 -0.0055 2287 TRP 14 O -0.0040 -0.0027 -0.0055 2288 TRP 14 CB -0.0033 -0.0037 -0.0043 2289 TRP 14 CG -0.0036 -0.0014 -0.0032 2290 TRP 14 CD1 -0.0046 0.0004 -0.0049 2291 TRP 14 CD2 -0.0031 -0.0006 -0.0009 2292 TRP 14 NE1 -0.0045 0.0022 -0.0031 2293 TRP 14 CE2 -0.0038 0.0020 -0.0011 2294 TRP 14 CE3 -0.0023 -0.0015 0.0009 2295 TRP 14 CZ2 -0.0035 0.0031 0.0009 2296 TRP 14 CZ3 -0.0019 -0.0004 0.0031 2297 TRP 14 CH2 -0.0027 0.0024 0.0027 2298 GLY 15 N -0.0038 -0.0053 -0.0073 2299 GLY 15 CA -0.0043 -0.0058 -0.0093 2300 GLY 15 C -0.0041 -0.0058 -0.0085 2301 GLY 15 O -0.0048 -0.0037 -0.0089 2302 LYS 16 N -0.0058 -0.0032 -0.0120 2303 LYS 16 CA -0.0059 -0.0037 -0.0104 2304 LYS 16 C -0.0063 -0.0009 -0.0084 2305 LYS 16 O -0.0065 0.0006 -0.0075 2306 LYS 16 CB -0.0059 -0.0057 -0.0090 2307 LYS 16 CG -0.0058 -0.0064 -0.0105 2308 LYS 16 CD -0.0061 -0.0052 -0.0073 2309 LYS 16 CE -0.0061 -0.0044 -0.0079 2310 LYS 16 NZ -0.0065 -0.0025 -0.0052 2311 VAL 17 N -0.0064 -0.0002 -0.0081 2312 VAL 17 CA -0.0066 0.0018 -0.0065 2313 VAL 17 C -0.0066 0.0039 -0.0078 2314 VAL 17 O -0.0069 0.0062 -0.0070 2315 VAL 17 CB -0.0067 0.0018 -0.0050 2316 VAL 17 CG1 -0.0069 0.0042 -0.0046 2317 VAL 17 CG2 -0.0068 -0.0006 -0.0029 2318 GLY 18 N -0.0064 0.0041 -0.0102 2319 GLY 18 CA -0.0065 0.0064 -0.0117 2320 GLY 18 C -0.0067 0.0088 -0.0112 2321 GLY 18 O -0.0068 0.0095 -0.0098 2322 ALA 19 N -0.0049 0.0093 -0.0118 2323 ALA 19 CA -0.0061 0.0114 -0.0111 2324 ALA 19 C -0.0064 0.0121 -0.0087 2325 ALA 19 O -0.0075 0.0142 -0.0073 2326 ALA 19 CB -0.0067 0.0127 -0.0130 2327 HIS 20 N -0.0057 0.0107 -0.0069 2328 HIS 20 CA -0.0060 0.0111 -0.0042 2329 HIS 20 C -0.0059 0.0109 -0.0022 2330 HIS 20 O -0.0060 0.0111 0.0002 2331 HIS 20 CB -0.0050 0.0093 -0.0035 2332 HIS 20 CG -0.0047 0.0087 -0.0053 2333 HIS 20 ND1 -0.0060 0.0111 -0.0047 2334 HIS 20 CD2 -0.0043 0.0079 -0.0076 2335 HIS 20 CE1 -0.0057 0.0107 -0.0075 2336 HIS 20 NE2 -0.0045 0.0083 -0.0083 2337 ALA 21 N -0.0055 0.0102 -0.0032 2338 ALA 21 CA -0.0054 0.0099 -0.0014 2339 ALA 21 C -0.0064 0.0119 0.0005 2340 ALA 21 O -0.0060 0.0111 0.0029 2341 ALA 21 CB -0.0051 0.0095 -0.0034 2342 GLY 22 N -0.0035 0.0101 -0.0030 2343 GLY 22 CA -0.0036 0.0110 -0.0022 2344 GLY 22 C -0.0036 0.0110 -0.0013 2345 GLY 22 O -0.0036 0.0111 -0.0003 2346 GLU 23 N -0.0036 0.0109 -0.0009 2347 GLU 23 CA -0.0036 0.0109 0.0000 2348 GLU 23 C -0.0035 0.0098 0.0009 2349 GLU 23 O -0.0036 0.0099 0.0020 2350 GLU 23 CB -0.0036 0.0105 -0.0001 2351 GLU 23 CG -0.0036 0.0109 0.0009 2352 GLU 23 CD -0.0036 0.0109 0.0001 2353 GLU 23 OE1 -0.0035 0.0092 0.0011 2354 GLU 23 OE2 -0.0036 0.0106 -0.0005 2355 TYR 24 N -0.0034 0.0088 0.0002 2356 TYR 24 CA -0.0033 0.0079 0.0008 2357 TYR 24 C -0.0034 0.0080 0.0014 2358 TYR 24 O -0.0033 0.0076 0.0021 2359 TYR 24 CB -0.0032 0.0068 0.0001 2360 TYR 24 CG -0.0032 0.0064 -0.0003 2361 TYR 24 CD1 -0.0031 0.0053 -0.0010 2362 TYR 24 CD2 -0.0032 0.0070 0.0003 2363 TYR 24 CE1 -0.0030 0.0052 -0.0014 2364 TYR 24 CE2 -0.0032 0.0066 -0.0001 2365 TYR 24 CZ -0.0031 0.0057 -0.0008 2366 TYR 24 OH -0.0031 0.0054 -0.0013 2367 GLY 25 N -0.0026 0.0081 0.0010 2368 GLY 25 CA -0.0024 0.0090 0.0006 2369 GLY 25 C -0.0013 0.0090 0.0005 2370 GLY 25 O -0.0006 0.0096 0.0001 2371 ALA 26 N -0.0007 0.0083 0.0007 2372 ALA 26 CA 0.0003 0.0082 0.0006 2373 ALA 26 C 0.0010 0.0082 0.0005 2374 ALA 26 O 0.0018 0.0085 0.0003 2375 ALA 26 CB 0.0006 0.0074 0.0009 2376 GLU 27 N 0.0006 0.0075 0.0009 2377 GLU 27 CA 0.0013 0.0072 0.0009 2378 GLU 27 C 0.0012 0.0081 0.0005 2379 GLU 27 O 0.0020 0.0084 0.0003 2380 GLU 27 CB 0.0006 0.0065 0.0012 2381 GLU 27 CG 0.0013 0.0063 0.0013 2382 GLU 27 CD 0.0008 0.0055 0.0017 2383 GLU 27 OE1 0.0007 0.0055 0.0017 2384 GLU 27 OE2 0.0003 0.0048 0.0020 2385 ALA 28 N 0.0023 0.0074 0.0006 2386 ALA 28 CA 0.0024 0.0084 0.0004 2387 ALA 28 C 0.0027 0.0083 -0.0001 2388 ALA 28 O 0.0031 0.0088 -0.0006 2389 ALA 28 CB 0.0020 0.0088 0.0011 2390 LEU 29 N 0.0025 0.0076 0.0002 2391 LEU 29 CA 0.0028 0.0075 -0.0003 2392 LEU 29 C 0.0033 0.0073 -0.0010 2393 LEU 29 O 0.0037 0.0075 -0.0016 2394 LEU 29 CB 0.0024 0.0068 0.0002 2395 LEU 29 CG 0.0020 0.0071 0.0010 2396 LEU 29 CD1 0.0017 0.0063 0.0014 2397 LEU 29 CD2 0.0021 0.0079 0.0009 2398 GLU 30 N 0.0034 0.0066 -0.0013 2399 GLU 30 CA 0.0038 0.0062 -0.0020 2400 GLU 30 C 0.0042 0.0070 -0.0025 2401 GLU 30 O 0.0046 0.0070 -0.0032 2402 GLU 30 CB 0.0038 0.0054 -0.0020 2403 GLU 30 CG 0.0043 0.0050 -0.0028 2404 GLU 30 CD 0.0043 0.0039 -0.0029 2405 GLU 30 OE1 0.0039 0.0038 -0.0023 2406 GLU 30 OE2 0.0046 0.0038 -0.0034 2407 ARG 31 N 0.0029 0.0039 -0.0001 2408 ARG 31 CA 0.0025 0.0041 -0.0002 2409 ARG 31 C 0.0024 0.0039 -0.0007 2410 ARG 31 O 0.0022 0.0039 -0.0009 2411 ARG 31 CB 0.0023 0.0042 -0.0000 2412 ARG 31 CG 0.0023 0.0044 0.0004 2413 ARG 31 CD 0.0020 0.0045 0.0006 2414 ARG 31 NE 0.0020 0.0047 0.0010 2415 ARG 31 CZ 0.0018 0.0048 0.0012 2416 ARG 31 NH1 0.0015 0.0048 0.0009 2417 ARG 31 NH2 0.0019 0.0049 0.0015 2418 MET 32 N 0.0025 0.0038 -0.0009 2419 MET 32 CA 0.0025 0.0037 -0.0013 2420 MET 32 C 0.0027 0.0036 -0.0015 2421 MET 32 O 0.0024 0.0035 -0.0018 2422 MET 32 CB 0.0027 0.0036 -0.0014 2423 MET 32 CG 0.0026 0.0035 -0.0018 2424 MET 32 SD 0.0029 0.0033 -0.0019 2425 MET 32 CE 0.0034 0.0032 -0.0018 2426 PHE 33 N 0.0030 0.0035 -0.0014 2427 PHE 33 CA 0.0032 0.0033 -0.0016 2428 PHE 33 C 0.0030 0.0034 -0.0016 2429 PHE 33 O 0.0029 0.0033 -0.0019 2430 PHE 33 CB 0.0036 0.0032 -0.0015 2431 PHE 33 CG 0.0039 0.0031 -0.0015 2432 PHE 33 CD1 0.0038 0.0030 -0.0018 2433 PHE 33 CD2 0.0042 0.0031 -0.0012 2434 PHE 33 CE1 0.0041 0.0029 -0.0019 2435 PHE 33 CE2 0.0044 0.0030 -0.0013 2436 PHE 33 CZ 0.0043 0.0029 -0.0016 2437 LEU 34 N 0.0030 0.0021 -0.0023 2438 LEU 34 CA 0.0023 0.0026 -0.0027 2439 LEU 34 C 0.0018 0.0028 -0.0030 2440 LEU 34 O 0.0012 0.0027 -0.0035 2441 LEU 34 CB 0.0022 0.0034 -0.0025 2442 LEU 34 CG 0.0026 0.0032 -0.0023 2443 LEU 34 CD1 0.0026 0.0040 -0.0021 2444 LEU 34 CD2 0.0022 0.0026 -0.0028 2445 SER 35 N 0.0022 0.0032 -0.0026 2446 SER 35 CA 0.0017 0.0034 -0.0029 2447 SER 35 C 0.0015 0.0027 -0.0032 2448 SER 35 O 0.0011 0.0028 -0.0036 2449 SER 35 CB 0.0021 0.0040 -0.0024 2450 SER 35 OG 0.0021 0.0048 -0.0022 2451 PHE 36 N 0.0021 0.0019 -0.0030 2452 PHE 36 CA 0.0021 0.0012 -0.0032 2453 PHE 36 C 0.0023 0.0003 -0.0033 2454 PHE 36 O 0.0029 -0.0002 -0.0030 2455 PHE 36 CB 0.0027 0.0012 -0.0028 2456 PHE 36 CG 0.0026 0.0021 -0.0026 2457 PHE 36 CD1 0.0031 0.0027 -0.0020 2458 PHE 36 CD2 0.0019 0.0024 -0.0030 2459 PHE 36 CE1 0.0030 0.0035 -0.0018 2460 PHE 36 CE2 0.0019 0.0032 -0.0028 2461 PHE 36 CZ 0.0025 0.0037 -0.0022 2462 PRO 37 N 0.0012 -0.0049 0.0008 2463 PRO 37 CA 0.0005 -0.0045 0.0010 2464 PRO 37 C 0.0004 -0.0048 0.0015 2465 PRO 37 O 0.0000 -0.0045 0.0015 2466 PRO 37 CB -0.0002 -0.0043 0.0014 2467 PRO 37 CG 0.0001 -0.0046 0.0015 2468 PRO 37 CD 0.0009 -0.0049 0.0010 2469 THR 38 N 0.0009 -0.0055 0.0018 2470 THR 38 CA 0.0009 -0.0058 0.0022 2471 THR 38 C 0.0011 -0.0056 0.0018 2472 THR 38 O 0.0009 -0.0057 0.0020 2473 THR 38 CB 0.0012 -0.0067 0.0029 2474 THR 38 OG1 0.0021 -0.0069 0.0023 2475 THR 38 CG2 0.0017 -0.0067 0.0025 2476 THR 39 N 0.0016 -0.0055 0.0011 2477 THR 39 CA 0.0019 -0.0052 0.0005 2478 THR 39 C 0.0012 -0.0046 0.0004 2479 THR 39 O 0.0013 -0.0045 0.0002 2480 THR 39 CB 0.0025 -0.0051 -0.0002 2481 THR 39 OG1 0.0022 -0.0046 -0.0007 2482 THR 39 CG2 0.0031 -0.0058 -0.0000 2483 LYS 40 N -0.0006 -0.0071 0.0011 2484 LYS 40 CA -0.0007 -0.0067 0.0011 2485 LYS 40 C -0.0008 -0.0068 0.0011 2486 LYS 40 O -0.0007 -0.0066 0.0011 2487 LYS 40 CB -0.0011 -0.0064 0.0013 2488 LYS 40 CG -0.0011 -0.0062 0.0012 2489 LYS 40 CD -0.0015 -0.0060 0.0015 2490 LYS 40 CE -0.0015 -0.0058 0.0015 2491 LYS 40 NZ -0.0019 -0.0058 0.0018 2492 THR 41 N -0.0008 -0.0072 0.0012 2493 THR 41 CA -0.0009 -0.0074 0.0014 2494 THR 41 C -0.0005 -0.0074 0.0011 2495 THR 41 O -0.0006 -0.0075 0.0011 2496 THR 41 CB -0.0009 -0.0079 0.0015 2497 THR 41 OG1 -0.0007 -0.0081 0.0013 2498 THR 41 CG2 -0.0012 -0.0079 0.0017 2499 TYR 42 N -0.0002 -0.0074 0.0008 2500 TYR 42 CA 0.0001 -0.0074 0.0006 2501 TYR 42 C 0.0001 -0.0069 0.0005 2502 TYR 42 O 0.0004 -0.0068 0.0003 2503 TYR 42 CB 0.0004 -0.0075 0.0004 2504 TYR 42 CG 0.0004 -0.0080 0.0005 2505 TYR 42 CD1 0.0005 -0.0083 0.0005 2506 TYR 42 CD2 0.0003 -0.0082 0.0006 2507 TYR 42 CE1 0.0005 -0.0087 0.0006 2508 TYR 42 CE2 0.0003 -0.0086 0.0007 2509 TYR 42 CZ 0.0004 -0.0089 0.0007 2510 TYR 42 OH 0.0004 -0.0093 0.0008 2511 PHE 43 N 0.0011 -0.0050 -0.0004 2512 PHE 43 CA 0.0018 -0.0042 0.0001 2513 PHE 43 C 0.0003 -0.0046 -0.0007 2514 PHE 43 O -0.0001 -0.0032 -0.0008 2515 PHE 43 CB 0.0022 -0.0017 0.0005 2516 PHE 43 CG 0.0036 -0.0010 0.0013 2517 PHE 43 CD1 0.0029 -0.0005 0.0010 2518 PHE 43 CD2 0.0056 -0.0005 0.0023 2519 PHE 43 CE1 0.0043 0.0002 0.0018 2520 PHE 43 CE2 0.0068 -0.0001 0.0029 2521 PHE 43 CZ 0.0064 0.0004 0.0028 2522 PRO 44 N -0.0002 -0.0068 -0.0012 2523 PRO 44 CA -0.0018 -0.0071 -0.0020 2524 PRO 44 C -0.0005 -0.0074 -0.0014 2525 PRO 44 O -0.0016 -0.0071 -0.0019 2526 PRO 44 CB -0.0022 -0.0097 -0.0024 2527 PRO 44 CG -0.0004 -0.0104 -0.0017 2528 PRO 44 CD 0.0005 -0.0086 -0.0010 2529 HIS 45 N 0.0011 -0.0074 -0.0006 2530 HIS 45 CA 0.0024 -0.0073 0.0000 2531 HIS 45 C 0.0028 -0.0049 0.0005 2532 HIS 45 O 0.0040 -0.0051 0.0010 2533 HIS 45 CB 0.0043 -0.0083 0.0008 2534 HIS 45 CG 0.0059 -0.0081 0.0016 2535 HIS 45 ND1 0.0048 -0.0079 0.0011 2536 HIS 45 CD2 0.0076 -0.0073 0.0025 2537 HIS 45 CE1 0.0062 -0.0072 0.0018 2538 HIS 45 NE2 0.0081 -0.0069 0.0027 2539 PHE 46 N 0.0039 0.0008 -0.0016 2540 PHE 46 CA 0.0040 0.0009 -0.0017 2541 PHE 46 C 0.0039 0.0008 -0.0025 2542 PHE 46 O 0.0039 0.0010 -0.0033 2543 PHE 46 CB 0.0043 0.0019 -0.0014 2544 PHE 46 CG 0.0043 0.0019 -0.0006 2545 PHE 46 CD1 0.0045 0.0025 -0.0002 2546 PHE 46 CD2 0.0043 0.0016 0.0002 2547 PHE 46 CE1 0.0046 0.0027 0.0007 2548 PHE 46 CE2 0.0043 0.0017 0.0007 2549 PHE 46 CZ 0.0046 0.0025 0.0013 2550 ASP 47 N 0.0038 0.0006 -0.0028 2551 ASP 47 CA 0.0038 0.0008 -0.0036 2552 ASP 47 C 0.0041 0.0017 -0.0037 2553 ASP 47 O 0.0042 0.0019 -0.0029 2554 ASP 47 CB 0.0037 0.0001 -0.0035 2555 ASP 47 CG 0.0036 0.0002 -0.0046 2556 ASP 47 OD1 0.0038 0.0008 -0.0047 2557 ASP 47 OD2 0.0035 -0.0003 -0.0046 2558 LEU 48 N 0.0042 0.0022 -0.0042 2559 LEU 48 CA 0.0045 0.0031 -0.0041 2560 LEU 48 C 0.0045 0.0033 -0.0047 2561 LEU 48 O 0.0047 0.0041 -0.0049 2562 LEU 48 CB 0.0046 0.0036 -0.0043 2563 LEU 48 CG 0.0047 0.0036 -0.0038 2564 LEU 48 CD1 0.0048 0.0041 -0.0039 2565 LEU 48 CD2 0.0048 0.0038 -0.0027 2566 SER 49 N 0.0091 0.0011 -0.0087 2567 SER 49 CA 0.0097 -0.0001 -0.0088 2568 SER 49 C 0.0087 -0.0000 -0.0078 2569 SER 49 O 0.0077 0.0000 -0.0068 2570 SER 49 CB 0.0107 -0.0016 -0.0092 2571 SER 49 OG 0.0104 -0.0021 -0.0088 2572 HIS 50 N 0.0090 -0.0004 -0.0080 2573 HIS 50 CA 0.0082 -0.0006 -0.0070 2574 HIS 50 C 0.0077 -0.0021 -0.0059 2575 HIS 50 O 0.0084 -0.0031 -0.0063 2576 HIS 50 CB 0.0086 -0.0009 -0.0074 2577 HIS 50 CG 0.0077 -0.0008 -0.0065 2578 HIS 50 ND1 0.0078 -0.0025 -0.0059 2579 HIS 50 CD2 0.0067 -0.0002 -0.0056 2580 HIS 50 CE1 0.0068 -0.0023 -0.0049 2581 HIS 50 NE2 0.0059 -0.0008 -0.0046 2582 GLY 51 N 0.0066 -0.0018 -0.0049 2583 GLY 51 CA 0.0062 -0.0029 -0.0040 2584 GLY 51 C 0.0059 -0.0031 -0.0037 2585 GLY 51 O 0.0054 -0.0039 -0.0028 2586 SER 52 N 0.0061 -0.0004 -0.0056 2587 SER 52 CA 0.0055 -0.0007 -0.0048 2588 SER 52 C 0.0045 -0.0008 -0.0032 2589 SER 52 O 0.0038 0.0006 -0.0021 2590 SER 52 CB 0.0060 0.0007 -0.0054 2591 SER 52 OG 0.0054 0.0005 -0.0046 2592 ALA 53 N 0.0037 -0.0024 -0.0021 2593 ALA 53 CA 0.0025 -0.0024 -0.0002 2594 ALA 53 C 0.0021 -0.0006 0.0006 2595 ALA 53 O 0.0012 -0.0001 0.0021 2596 ALA 53 CB 0.0021 -0.0044 0.0003 2597 GLN 54 N 0.0029 -0.0004 -0.0006 2598 GLN 54 CA 0.0026 0.0012 0.0000 2599 GLN 54 C 0.0024 0.0035 0.0004 2600 GLN 54 O 0.0017 0.0046 0.0017 2601 GLN 54 CB 0.0032 0.0016 -0.0010 2602 GLN 54 CG 0.0032 -0.0000 -0.0011 2603 GLN 54 CD 0.0040 0.0000 -0.0024 2604 GLN 54 OE1 0.0050 0.0003 -0.0040 2605 GLN 54 NE2 0.0035 0.0003 -0.0016 2606 VAL 55 N 0.0017 0.0044 -0.0002 2607 VAL 55 CA 0.0024 0.0060 -0.0001 2608 VAL 55 C 0.0010 0.0051 0.0005 2609 VAL 55 O 0.0006 0.0063 0.0012 2610 VAL 55 CB 0.0045 0.0057 -0.0015 2611 VAL 55 CG1 0.0049 0.0068 -0.0014 2612 VAL 55 CG2 0.0056 0.0067 -0.0018 2613 LYS 56 N 0.0004 0.0030 0.0001 2614 LYS 56 CA -0.0009 0.0023 0.0006 2615 LYS 56 C -0.0025 0.0029 0.0018 2616 LYS 56 O -0.0034 0.0037 0.0027 2617 LYS 56 CB -0.0014 -0.0001 -0.0001 2618 LYS 56 CG 0.0005 -0.0010 -0.0016 2619 LYS 56 CD -0.0015 -0.0035 -0.0013 2620 LYS 56 CE 0.0016 -0.0043 -0.0035 2621 LYS 56 NZ 0.0001 -0.0067 -0.0035 2622 GLY 57 N -0.0033 0.0031 0.0024 2623 GLY 57 CA -0.0049 0.0038 0.0037 2624 GLY 57 C -0.0050 0.0060 0.0046 2625 GLY 57 O -0.0064 0.0068 0.0058 2626 HIS 58 N -0.0041 0.0083 0.0050 2627 HIS 58 CA -0.0037 0.0089 0.0056 2628 HIS 58 C -0.0032 0.0084 0.0051 2629 HIS 58 O -0.0033 0.0087 0.0055 2630 HIS 58 CB -0.0029 0.0093 0.0061 2631 HIS 58 CG -0.0026 0.0100 0.0067 2632 HIS 58 ND1 -0.0034 0.0105 0.0071 2633 HIS 58 CD2 -0.0017 0.0101 0.0069 2634 HIS 58 CE1 -0.0027 0.0110 0.0075 2635 HIS 58 NE2 -0.0016 0.0107 0.0075 2636 GLY 59 N -0.0027 0.0078 0.0047 2637 GLY 59 CA -0.0023 0.0074 0.0044 2638 GLY 59 C -0.0029 0.0071 0.0040 2639 GLY 59 O -0.0027 0.0071 0.0041 2640 LYS 60 N -0.0038 0.0069 0.0037 2641 LYS 60 CA -0.0047 0.0068 0.0035 2642 LYS 60 C -0.0051 0.0074 0.0040 2643 LYS 60 O -0.0052 0.0074 0.0040 2644 LYS 60 CB -0.0055 0.0063 0.0030 2645 LYS 60 CG -0.0062 0.0062 0.0028 2646 LYS 60 CD -0.0070 0.0056 0.0022 2647 LYS 60 CE -0.0074 0.0054 0.0019 2648 LYS 60 NZ -0.0085 0.0063 0.0025 2649 LYS 61 N -0.0074 0.0091 0.0053 2650 LYS 61 CA -0.0076 0.0097 0.0064 2651 LYS 61 C -0.0054 0.0089 0.0072 2652 LYS 61 O -0.0054 0.0089 0.0071 2653 LYS 61 CB -0.0083 0.0108 0.0082 2654 LYS 61 CG -0.0101 0.0114 0.0077 2655 LYS 61 CD -0.0111 0.0125 0.0091 2656 LYS 61 CE -0.0135 0.0132 0.0080 2657 LYS 61 NZ -0.0134 0.0142 0.0106 2658 VAL 62 N -0.0041 0.0085 0.0079 2659 VAL 62 CA -0.0022 0.0078 0.0084 2660 VAL 62 C -0.0013 0.0068 0.0069 2661 VAL 62 O -0.0007 0.0066 0.0070 2662 VAL 62 CB -0.0010 0.0076 0.0093 2663 VAL 62 CG1 0.0009 0.0068 0.0096 2664 VAL 62 CG2 -0.0017 0.0087 0.0111 2665 ALA 63 N -0.0019 0.0064 0.0053 2666 ALA 63 CA -0.0012 0.0053 0.0035 2667 ALA 63 C -0.0018 0.0055 0.0030 2668 ALA 63 O -0.0012 0.0049 0.0025 2669 ALA 63 CB -0.0014 0.0048 0.0018 2670 ASP 64 N -0.0004 0.0048 0.0026 2671 ASP 64 CA 0.0004 0.0048 0.0015 2672 ASP 64 C 0.0010 0.0036 0.0018 2673 ASP 64 O 0.0020 0.0030 0.0010 2674 ASP 64 CB -0.0001 0.0062 0.0011 2675 ASP 64 CG -0.0006 0.0078 0.0004 2676 ASP 64 OD1 -0.0005 0.0078 0.0002 2677 ASP 64 OD2 -0.0012 0.0084 0.0006 2678 ALA 65 N 0.0005 0.0030 0.0031 2679 ALA 65 CA 0.0011 0.0017 0.0034 2680 ALA 65 C 0.0020 0.0005 0.0032 2681 ALA 65 O 0.0029 -0.0004 0.0027 2682 ALA 65 CB 0.0004 0.0012 0.0048 2683 LEU 66 N 0.0018 0.0006 0.0035 2684 LEU 66 CA 0.0025 -0.0004 0.0033 2685 LEU 66 C 0.0034 -0.0002 0.0019 2686 LEU 66 O 0.0044 -0.0012 0.0014 2687 LEU 66 CB 0.0020 -0.0003 0.0040 2688 LEU 66 CG 0.0012 -0.0010 0.0056 2689 LEU 66 CD1 0.0006 -0.0005 0.0061 2690 LEU 66 CD2 0.0018 -0.0024 0.0060 2691 THR 67 N 0.0012 -0.0018 0.0009 2692 THR 67 CA 0.0023 -0.0009 0.0022 2693 THR 67 C 0.0033 -0.0018 0.0026 2694 THR 67 O 0.0038 -0.0010 0.0033 2695 THR 67 CB 0.0027 -0.0010 0.0025 2696 THR 67 OG1 0.0018 -0.0000 0.0021 2697 THR 67 CG2 0.0040 -0.0002 0.0038 2698 ASN 68 N 0.0037 -0.0035 0.0023 2699 ASN 68 CA 0.0045 -0.0042 0.0027 2700 ASN 68 C 0.0041 -0.0040 0.0024 2701 ASN 68 O 0.0050 -0.0039 0.0032 2702 ASN 68 CB 0.0049 -0.0059 0.0024 2703 ASN 68 CG 0.0060 -0.0070 0.0028 2704 ASN 68 OD1 0.0066 -0.0068 0.0034 2705 ASN 68 ND2 0.0057 -0.0087 0.0020 2706 ALA 69 N 0.0029 -0.0040 0.0015 2707 ALA 69 CA 0.0023 -0.0037 0.0011 2708 ALA 69 C 0.0025 -0.0019 0.0020 2709 ALA 69 O 0.0027 -0.0020 0.0021 2710 ALA 69 CB 0.0009 -0.0039 -0.0000 2711 VAL 70 N -0.0033 -0.0034 0.0008 2712 VAL 70 CA -0.0050 -0.0017 0.0033 2713 VAL 70 C -0.0061 -0.0022 0.0069 2714 VAL 70 O -0.0076 0.0005 0.0075 2715 VAL 70 CB -0.0043 -0.0032 0.0033 2716 VAL 70 CG1 -0.0058 -0.0016 0.0054 2717 VAL 70 CG2 -0.0035 -0.0026 0.0001 2718 ALA 71 N -0.0054 -0.0042 0.0077 2719 ALA 71 CA -0.0062 -0.0050 0.0112 2720 ALA 71 C -0.0072 -0.0028 0.0110 2721 ALA 71 O -0.0085 -0.0019 0.0134 2722 ALA 71 CB -0.0050 -0.0079 0.0121 2723 HIS 72 N -0.0068 -0.0019 0.0086 2724 HIS 72 CA -0.0074 -0.0001 0.0076 2725 HIS 72 C -0.0081 0.0024 0.0062 2726 HIS 72 O -0.0080 0.0038 0.0039 2727 HIS 72 CB -0.0060 -0.0021 0.0066 2728 HIS 72 CG -0.0054 -0.0045 0.0084 2729 HIS 72 ND1 -0.0063 -0.0052 0.0119 2730 HIS 72 CD2 -0.0042 -0.0078 0.0096 2731 HIS 72 CE1 -0.0054 -0.0076 0.0126 2732 HIS 72 NE2 -0.0040 -0.0099 0.0120 2733 VAL 73 N -0.0108 -0.0044 0.0089 2734 VAL 73 CA -0.0110 0.0004 0.0048 2735 VAL 73 C -0.0156 0.0079 0.0023 2736 VAL 73 O -0.0138 0.0117 -0.0028 2737 VAL 73 CB -0.0117 -0.0003 0.0061 2738 VAL 73 CG1 -0.0172 -0.0010 0.0117 2739 VAL 73 CG2 -0.0090 0.0033 0.0003 2740 ASP 74 N -0.0203 0.0077 0.0067 2741 ASP 74 CA -0.0248 0.0147 0.0045 2742 ASP 74 C -0.0228 0.0173 0.0003 2743 ASP 74 O -0.0260 0.0209 0.0001 2744 ASP 74 CB -0.0312 0.0142 0.0108 2745 ASP 74 CG -0.0347 0.0134 0.0147 2746 ASP 74 OD1 -0.0351 0.0157 0.0130 2747 ASP 74 OD2 -0.0366 0.0099 0.0196 2748 ASP 75 N -0.0179 0.0121 0.0006 2749 ASP 75 CA -0.0150 0.0136 -0.0034 2750 ASP 75 C -0.0081 0.0085 -0.0051 2751 ASP 75 O -0.0052 0.0066 -0.0060 2752 ASP 75 CB -0.0180 0.0106 0.0021 2753 ASP 75 CG -0.0186 0.0119 0.0014 2754 ASP 75 OD1 -0.0192 0.0175 -0.0031 2755 ASP 75 OD2 -0.0162 0.0056 0.0049 2756 MET 76 N -0.0038 0.0047 -0.0073 2757 MET 76 CA 0.0001 0.0048 -0.0075 2758 MET 76 C 0.0025 0.0053 -0.0110 2759 MET 76 O 0.0064 0.0053 -0.0106 2760 MET 76 CB -0.0022 0.0045 -0.0055 2761 MET 76 CG -0.0031 0.0039 -0.0007 2762 MET 76 SD -0.0041 0.0037 0.0006 2763 MET 76 CE -0.0087 0.0039 -0.0020 2764 PRO 77 N 0.0003 0.0058 -0.0148 2765 PRO 77 CA 0.0036 0.0063 -0.0185 2766 PRO 77 C 0.0072 0.0065 -0.0194 2767 PRO 77 O 0.0110 0.0067 -0.0205 2768 PRO 77 CB -0.0000 0.0068 -0.0224 2769 PRO 77 CG -0.0045 0.0065 -0.0210 2770 PRO 77 CD -0.0039 0.0059 -0.0162 2771 ASN 78 N 0.0070 0.0064 -0.0184 2772 ASN 78 CA 0.0103 0.0063 -0.0174 2773 ASN 78 C 0.0134 0.0061 -0.0153 2774 ASN 78 O 0.0173 0.0061 -0.0150 2775 ASN 78 CB 0.0083 0.0065 -0.0190 2776 ASN 78 CG 0.0125 0.0066 -0.0195 2777 ASN 78 OD1 0.0152 0.0070 -0.0222 2778 ASN 78 ND2 0.0138 0.0062 -0.0159 2779 ALA 79 N 0.0120 0.0034 -0.0095 2780 ALA 79 CA 0.0133 0.0043 -0.0075 2781 ALA 79 C 0.0144 0.0050 -0.0065 2782 ALA 79 O 0.0161 0.0061 -0.0054 2783 ALA 79 CB 0.0121 0.0040 -0.0050 2784 LEU 80 N 0.0131 0.0043 -0.0066 2785 LEU 80 CA 0.0138 0.0048 -0.0057 2786 LEU 80 C 0.0146 0.0049 -0.0080 2787 LEU 80 O 0.0151 0.0053 -0.0074 2788 LEU 80 CB 0.0120 0.0040 -0.0046 2789 LEU 80 CG 0.0108 0.0035 -0.0022 2790 LEU 80 CD1 0.0090 0.0028 -0.0010 2791 LEU 80 CD2 0.0125 0.0047 -0.0006 2792 SER 81 N 0.0152 0.0050 -0.0102 2793 SER 81 CA 0.0158 0.0051 -0.0124 2794 SER 81 C 0.0179 0.0063 -0.0119 2795 SER 81 O 0.0179 0.0062 -0.0125 2796 SER 81 CB 0.0165 0.0053 -0.0142 2797 SER 81 OG 0.0164 0.0050 -0.0165 2798 ALA 82 N 0.0197 0.0065 -0.0045 2799 ALA 82 CA 0.0187 0.0076 -0.0036 2800 ALA 82 C 0.0168 0.0079 -0.0019 2801 ALA 82 O 0.0155 0.0082 -0.0008 2802 ALA 82 CB 0.0196 0.0100 -0.0044 2803 LEU 83 N 0.0162 0.0085 -0.0014 2804 LEU 83 CA 0.0143 0.0089 0.0003 2805 LEU 83 C 0.0135 0.0064 0.0011 2806 LEU 83 O 0.0117 0.0065 0.0026 2807 LEU 83 CB 0.0143 0.0095 0.0003 2808 LEU 83 CG 0.0143 0.0124 0.0002 2809 LEU 83 CD1 0.0139 0.0129 0.0006 2810 LEU 83 CD2 0.0131 0.0138 0.0013 2811 SER 84 N 0.0143 0.0045 0.0004 2812 SER 84 CA 0.0135 0.0022 0.0011 2813 SER 84 C 0.0131 0.0017 0.0015 2814 SER 84 O 0.0118 0.0008 0.0027 2815 SER 84 CB 0.0144 -0.0007 0.0003 2816 SER 84 OG 0.0151 0.0002 -0.0003 2817 ASP 85 N 0.0136 -0.0023 0.0062 2818 ASP 85 CA 0.0120 -0.0046 0.0069 2819 ASP 85 C 0.0095 -0.0049 0.0058 2820 ASP 85 O 0.0079 -0.0063 0.0060 2821 ASP 85 CB 0.0132 -0.0054 0.0079 2822 ASP 85 CG 0.0156 -0.0061 0.0095 2823 ASP 85 OD1 0.0165 -0.0063 0.0100 2824 ASP 85 OD2 0.0168 -0.0062 0.0101 2825 LEU 86 N 0.0090 -0.0029 0.0044 2826 LEU 86 CA 0.0066 -0.0030 0.0033 2827 LEU 86 C 0.0046 -0.0031 0.0024 2828 LEU 86 O 0.0027 -0.0042 0.0022 2829 LEU 86 CB 0.0066 -0.0010 0.0020 2830 LEU 86 CG 0.0042 -0.0009 0.0009 2831 LEU 86 CD1 0.0031 -0.0032 0.0017 2832 LEU 86 CD2 0.0043 0.0012 -0.0004 2833 HIS 87 N 0.0059 -0.0014 0.0019 2834 HIS 87 CA 0.0042 -0.0009 0.0009 2835 HIS 87 C 0.0039 -0.0032 0.0021 2836 HIS 87 O 0.0018 -0.0038 0.0015 2837 HIS 87 CB 0.0052 0.0014 -0.0001 2838 HIS 87 CG 0.0050 0.0035 -0.0015 2839 HIS 87 ND1 0.0063 0.0042 -0.0013 2840 HIS 87 CD2 0.0030 0.0048 -0.0032 2841 HIS 87 CE1 0.0054 0.0061 -0.0029 2842 HIS 87 NE2 0.0038 0.0064 -0.0038 2843 ALA 88 N 0.0055 -0.0053 0.0044 2844 ALA 88 CA 0.0058 -0.0063 0.0062 2845 ALA 88 C 0.0027 -0.0107 0.0063 2846 ALA 88 O 0.0021 -0.0113 0.0061 2847 ALA 88 CB 0.0087 -0.0053 0.0101 2848 HIS 89 N 0.0022 -0.0131 0.0085 2849 HIS 89 CA -0.0001 -0.0174 0.0099 2850 HIS 89 C -0.0032 -0.0195 0.0071 2851 HIS 89 O -0.0052 -0.0226 0.0074 2852 HIS 89 CB 0.0016 -0.0188 0.0146 2853 HIS 89 CG 0.0046 -0.0166 0.0171 2854 HIS 89 ND1 0.0051 -0.0163 0.0175 2855 HIS 89 CD2 0.0070 -0.0150 0.0192 2856 HIS 89 CE1 0.0079 -0.0139 0.0194 2857 HIS 89 NE2 0.0095 -0.0131 0.0212 2858 LYS 90 N -0.0039 -0.0182 0.0042 2859 LYS 90 CA -0.0064 -0.0200 0.0021 2860 LYS 90 C -0.0080 -0.0184 -0.0027 2861 LYS 90 O -0.0103 -0.0199 -0.0048 2862 LYS 90 CB -0.0070 -0.0215 0.0030 2863 LYS 90 CG -0.0103 -0.0232 -0.0008 2864 LYS 90 CD -0.0099 -0.0240 0.0011 2865 LYS 90 CE -0.0143 -0.0276 -0.0021 2866 LYS 90 NZ -0.0139 -0.0311 0.0029 2867 LEU 91 N -0.0029 -0.0103 -0.0005 2868 LEU 91 CA -0.0042 -0.0090 -0.0024 2869 LEU 91 C -0.0045 -0.0093 -0.0023 2870 LEU 91 O -0.0062 -0.0093 -0.0034 2871 LEU 91 CB -0.0026 -0.0068 -0.0033 2872 LEU 91 CG -0.0023 -0.0067 -0.0031 2873 LEU 91 CD1 -0.0007 -0.0043 -0.0041 2874 LEU 91 CD2 -0.0048 -0.0070 -0.0044 2875 ARG 92 N -0.0025 -0.0092 -0.0012 2876 ARG 92 CA -0.0026 -0.0098 -0.0008 2877 ARG 92 C -0.0036 -0.0083 -0.0026 2878 ARG 92 O -0.0048 -0.0086 -0.0031 2879 ARG 92 CB -0.0041 -0.0122 0.0002 2880 ARG 92 CG -0.0026 -0.0135 0.0023 2881 ARG 92 CD -0.0041 -0.0160 0.0034 2882 ARG 92 NE -0.0027 -0.0166 0.0048 2883 ARG 92 CZ -0.0067 -0.0203 0.0053 2884 ARG 92 NH1 -0.0075 -0.0184 0.0033 2885 ARG 92 NH2 -0.0051 -0.0199 0.0060 2886 VAL 93 N -0.0024 -0.0060 -0.0038 2887 VAL 93 CA -0.0029 -0.0042 -0.0056 2888 VAL 93 C -0.0016 -0.0039 -0.0050 2889 VAL 93 O 0.0006 -0.0035 -0.0039 2890 VAL 93 CB -0.0017 -0.0021 -0.0065 2891 VAL 93 CG1 -0.0019 -0.0001 -0.0083 2892 VAL 93 CG2 -0.0028 -0.0026 -0.0069 2893 ASP 94 N 0.0003 -0.0019 -0.0009 2894 ASP 94 CA 0.0002 -0.0025 -0.0009 2895 ASP 94 C 0.0005 -0.0022 -0.0010 2896 ASP 94 O 0.0004 -0.0015 -0.0009 2897 ASP 94 CB -0.0008 -0.0027 -0.0006 2898 ASP 94 CG -0.0010 -0.0035 -0.0006 2899 ASP 94 OD1 -0.0011 -0.0041 -0.0006 2900 ASP 94 OD2 -0.0010 -0.0033 -0.0006 2901 PRO 95 N 0.0008 -0.0028 -0.0011 2902 PRO 95 CA 0.0011 -0.0026 -0.0012 2903 PRO 95 C 0.0006 -0.0023 -0.0010 2904 PRO 95 O 0.0009 -0.0017 -0.0011 2905 PRO 95 CB 0.0014 -0.0034 -0.0014 2906 PRO 95 CG 0.0015 -0.0038 -0.0015 2907 PRO 95 CD 0.0009 -0.0037 -0.0012 2908 VAL 96 N -0.0002 -0.0022 -0.0007 2909 VAL 96 CA -0.0007 -0.0018 -0.0005 2910 VAL 96 C -0.0006 -0.0009 -0.0005 2911 VAL 96 O -0.0007 -0.0004 -0.0004 2912 VAL 96 CB -0.0016 -0.0021 -0.0003 2913 VAL 96 CG1 -0.0015 -0.0030 -0.0003 2914 VAL 96 CG2 -0.0020 -0.0019 -0.0001 2915 ASN 97 N -0.0001 0.0001 -0.0001 2916 ASN 97 CA 0.0001 0.0014 0.0002 2917 ASN 97 C 0.0010 0.0022 0.0003 2918 ASN 97 O 0.0010 0.0034 0.0007 2919 ASN 97 CB 0.0005 0.0015 0.0002 2920 ASN 97 CG -0.0005 0.0010 0.0003 2921 ASN 97 OD1 -0.0017 0.0016 0.0007 2922 ASN 97 ND2 -0.0004 -0.0001 -0.0001 2923 PHE 98 N 0.0019 0.0015 -0.0002 2924 PHE 98 CA 0.0029 0.0021 -0.0002 2925 PHE 98 C 0.0022 0.0028 0.0002 2926 PHE 98 O 0.0026 0.0039 0.0005 2927 PHE 98 CB 0.0040 0.0013 -0.0008 2928 PHE 98 CG 0.0049 0.0009 -0.0011 2929 PHE 98 CD1 0.0061 0.0017 -0.0011 2930 PHE 98 CD2 0.0045 0.0001 -0.0013 2931 PHE 98 CE1 0.0070 0.0016 -0.0014 2932 PHE 98 CE2 0.0055 0.0001 -0.0016 2933 PHE 98 CZ 0.0068 0.0006 -0.0017 2934 LYS 99 N 0.0011 0.0021 0.0002 2935 LYS 99 CA 0.0003 0.0027 0.0006 2936 LYS 99 C -0.0001 0.0040 0.0012 2937 LYS 99 O -0.0004 0.0047 0.0015 2938 LYS 99 CB -0.0007 0.0016 0.0005 2939 LYS 99 CG -0.0014 0.0013 0.0006 2940 LYS 99 CD -0.0026 0.0001 0.0005 2941 LYS 99 CE -0.0043 0.0012 0.0013 2942 LYS 99 NZ -0.0056 0.0003 0.0013 2943 LEU 100 N -0.0001 0.0032 0.0003 2944 LEU 100 CA -0.0001 0.0036 0.0008 2945 LEU 100 C 0.0002 0.0039 0.0010 2946 LEU 100 O 0.0001 0.0042 0.0014 2947 LEU 100 CB -0.0001 0.0036 0.0009 2948 LEU 100 CG -0.0004 0.0032 0.0007 2949 LEU 100 CD1 -0.0004 0.0033 0.0008 2950 LEU 100 CD2 -0.0009 0.0031 0.0009 2951 LEU 101 N 0.0007 0.0040 0.0007 2952 LEU 101 CA 0.0011 0.0044 0.0008 2953 LEU 101 C 0.0009 0.0043 0.0008 2954 LEU 101 O 0.0010 0.0047 0.0012 2955 LEU 101 CB 0.0016 0.0045 0.0004 2956 LEU 101 CG 0.0020 0.0048 0.0005 2957 LEU 101 CD1 0.0019 0.0052 0.0010 2958 LEU 101 CD2 0.0025 0.0049 0.0002 2959 SER 102 N 0.0008 0.0040 0.0005 2960 SER 102 CA 0.0007 0.0039 0.0005 2961 SER 102 C 0.0003 0.0040 0.0010 2962 SER 102 O 0.0003 0.0042 0.0012 2963 SER 102 CB 0.0005 0.0035 0.0001 2964 SER 102 OG 0.0009 0.0033 -0.0003 2965 HIS 103 N -0.0015 0.0046 -0.0011 2966 HIS 103 CA -0.0017 0.0046 -0.0009 2967 HIS 103 C -0.0014 0.0044 -0.0006 2968 HIS 103 O -0.0016 0.0043 -0.0002 2969 HIS 103 CB -0.0016 0.0046 -0.0012 2970 HIS 103 CG -0.0017 0.0047 -0.0011 2971 HIS 103 ND1 -0.0014 0.0045 -0.0011 2972 HIS 103 CD2 -0.0021 0.0047 -0.0009 2973 HIS 103 CE1 -0.0016 0.0046 -0.0010 2974 HIS 103 NE2 -0.0020 0.0047 -0.0008 2975 CYS 104 N -0.0010 0.0042 -0.0006 2976 CYS 104 CA -0.0007 0.0040 -0.0003 2977 CYS 104 C -0.0008 0.0039 0.0001 2978 CYS 104 O -0.0007 0.0038 0.0005 2979 CYS 104 CB -0.0002 0.0039 -0.0005 2980 CYS 104 SG -0.0002 0.0040 -0.0009 2981 LEU 105 N -0.0009 0.0040 0.0000 2982 LEU 105 CA -0.0010 0.0039 0.0004 2983 LEU 105 C -0.0014 0.0040 0.0007 2984 LEU 105 O -0.0014 0.0039 0.0011 2985 LEU 105 CB -0.0010 0.0040 0.0003 2986 LEU 105 CG -0.0010 0.0039 0.0006 2987 LEU 105 CD1 -0.0005 0.0037 0.0005 2988 LEU 105 CD2 -0.0010 0.0040 0.0000 2989 LEU 106 N -0.0023 0.0019 0.0001 2990 LEU 106 CA -0.0024 0.0018 0.0002 2991 LEU 106 C -0.0026 0.0020 0.0005 2992 LEU 106 O -0.0025 0.0021 0.0005 2993 LEU 106 CB -0.0025 0.0012 0.0002 2994 LEU 106 CG -0.0024 0.0009 -0.0001 2995 LEU 106 CD1 -0.0026 0.0005 -0.0000 2996 LEU 106 CD2 -0.0021 0.0010 -0.0004 2997 VAL 107 N -0.0028 0.0021 0.0008 2998 VAL 107 CA -0.0030 0.0024 0.0011 2999 VAL 107 C -0.0028 0.0028 0.0011 3000 VAL 107 O -0.0028 0.0031 0.0012 3001 VAL 107 CB -0.0033 0.0024 0.0014 3002 VAL 107 CG1 -0.0034 0.0028 0.0017 3003 VAL 107 CG2 -0.0035 0.0020 0.0015 3004 THR 108 N -0.0026 0.0030 0.0009 3005 THR 108 CA -0.0024 0.0035 0.0008 3006 THR 108 C -0.0022 0.0035 0.0006 3007 THR 108 O -0.0021 0.0038 0.0007 3008 THR 108 CB -0.0021 0.0036 0.0006 3009 THR 108 OG1 -0.0023 0.0036 0.0008 3010 THR 108 CG2 -0.0019 0.0041 0.0005 3011 LEU 109 N -0.0039 0.0005 0.0004 3012 LEU 109 CA -0.0043 0.0001 0.0002 3013 LEU 109 C -0.0046 -0.0002 0.0010 3014 LEU 109 O -0.0048 -0.0004 0.0012 3015 LEU 109 CB -0.0046 -0.0000 -0.0006 3016 LEU 109 CG -0.0042 0.0004 -0.0013 3017 LEU 109 CD1 -0.0046 0.0001 -0.0021 3018 LEU 109 CD2 -0.0038 0.0007 -0.0012 3019 ALA 110 N -0.0050 -0.0006 0.0011 3020 ALA 110 CA -0.0054 -0.0010 0.0018 3021 ALA 110 C -0.0051 -0.0008 0.0025 3022 ALA 110 O -0.0054 -0.0011 0.0031 3023 ALA 110 CB -0.0056 -0.0012 0.0019 3024 ALA 111 N -0.0045 -0.0003 0.0028 3025 ALA 111 CA -0.0042 -0.0001 0.0035 3026 ALA 111 C -0.0040 0.0001 0.0035 3027 ALA 111 O -0.0038 0.0002 0.0042 3028 ALA 111 CB -0.0036 0.0004 0.0036 3029 HIS 112 N -0.0052 -0.0000 0.0025 3030 HIS 112 CA -0.0050 0.0005 0.0017 3031 HIS 112 C -0.0056 -0.0007 0.0009 3032 HIS 112 O -0.0055 -0.0004 0.0003 3033 HIS 112 CB -0.0044 0.0019 0.0005 3034 HIS 112 CG -0.0039 0.0030 0.0016 3035 HIS 112 ND1 -0.0035 0.0038 0.0020 3036 HIS 112 CD2 -0.0033 0.0042 0.0023 3037 HIS 112 CE1 -0.0029 0.0049 0.0029 3038 HIS 112 NE2 -0.0027 0.0052 0.0031 3039 LEU 113 N -0.0061 -0.0018 0.0002 3040 LEU 113 CA -0.0067 -0.0030 -0.0007 3041 LEU 113 C -0.0074 -0.0046 0.0004 3042 LEU 113 O -0.0078 -0.0054 -0.0007 3043 LEU 113 CB -0.0068 -0.0031 -0.0021 3044 LEU 113 CG -0.0064 -0.0019 -0.0032 3045 LEU 113 CD1 -0.0068 -0.0027 -0.0045 3046 LEU 113 CD2 -0.0060 -0.0011 -0.0035 3047 PRO 114 N -0.0074 -0.0049 0.0015 3048 PRO 114 CA -0.0079 -0.0062 0.0030 3049 PRO 114 C -0.0087 -0.0077 0.0015 3050 PRO 114 O -0.0091 -0.0084 0.0008 3051 PRO 114 CB -0.0075 -0.0054 0.0042 3052 PRO 114 CG -0.0073 -0.0048 0.0031 3053 PRO 114 CD -0.0068 -0.0035 0.0020 3054 ALA 115 N -0.0064 -0.0091 -0.0037 3055 ALA 115 CA -0.0069 -0.0098 -0.0043 3056 ALA 115 C -0.0073 -0.0092 -0.0045 3057 ALA 115 O -0.0074 -0.0098 -0.0048 3058 ALA 115 CB -0.0077 -0.0108 -0.0054 3059 GLU 116 N -0.0077 -0.0079 -0.0045 3060 GLU 116 CA -0.0085 -0.0072 -0.0050 3061 GLU 116 C -0.0078 -0.0064 -0.0041 3062 GLU 116 O -0.0081 -0.0064 -0.0044 3063 GLU 116 CB -0.0091 -0.0057 -0.0051 3064 GLU 116 CG -0.0093 -0.0061 -0.0054 3065 GLU 116 CD -0.0101 -0.0068 -0.0064 3066 GLU 116 OE1 -0.0104 -0.0072 -0.0068 3067 GLU 116 OE2 -0.0101 -0.0074 -0.0065 3068 PHE 117 N -0.0069 -0.0062 -0.0033 3069 PHE 117 CA -0.0061 -0.0057 -0.0024 3070 PHE 117 C -0.0054 -0.0066 -0.0020 3071 PHE 117 O -0.0045 -0.0068 -0.0013 3072 PHE 117 CB -0.0055 -0.0049 -0.0016 3073 PHE 117 CG -0.0050 -0.0037 -0.0008 3074 PHE 117 CD1 -0.0057 -0.0024 -0.0011 3075 PHE 117 CD2 -0.0039 -0.0038 0.0002 3076 PHE 117 CE1 -0.0052 -0.0013 -0.0002 3077 PHE 117 CE2 -0.0034 -0.0029 0.0009 3078 PHE 117 CZ -0.0042 -0.0016 0.0006 3079 THR 118 N -0.0030 -0.0048 -0.0011 3080 THR 118 CA -0.0027 -0.0042 -0.0013 3081 THR 118 C -0.0027 -0.0043 -0.0010 3082 THR 118 O -0.0029 -0.0049 -0.0007 3083 THR 118 CB -0.0022 -0.0039 -0.0006 3084 THR 118 OG1 -0.0022 -0.0038 -0.0008 3085 THR 118 CG2 -0.0021 -0.0041 -0.0001 3086 PRO 119 N -0.0025 -0.0040 -0.0012 3087 PRO 119 CA -0.0024 -0.0040 -0.0009 3088 PRO 119 C -0.0023 -0.0043 -0.0002 3089 PRO 119 O -0.0024 -0.0047 0.0000 3090 PRO 119 CB -0.0022 -0.0034 -0.0012 3091 PRO 119 CG -0.0022 -0.0031 -0.0018 3092 PRO 119 CD -0.0023 -0.0033 -0.0017 3093 ALA 120 N -0.0019 -0.0040 0.0002 3094 ALA 120 CA -0.0017 -0.0042 0.0009 3095 ALA 120 C -0.0020 -0.0048 0.0011 3096 ALA 120 O -0.0020 -0.0052 0.0017 3097 ALA 120 CB -0.0012 -0.0038 0.0012 3098 VAL 121 N -0.0008 -0.0052 -0.0006 3099 VAL 121 CA -0.0015 -0.0052 -0.0006 3100 VAL 121 C -0.0015 -0.0050 -0.0002 3101 VAL 121 O -0.0019 -0.0048 0.0001 3102 VAL 121 CB -0.0018 -0.0055 -0.0011 3103 VAL 121 CG1 -0.0024 -0.0055 -0.0010 3104 VAL 121 CG2 -0.0019 -0.0056 -0.0013 3105 HIS 122 N -0.0011 -0.0051 -0.0003 3106 HIS 122 CA -0.0010 -0.0049 0.0000 3107 HIS 122 C -0.0010 -0.0046 0.0006 3108 HIS 122 O -0.0013 -0.0044 0.0009 3109 HIS 122 CB -0.0006 -0.0050 -0.0003 3110 HIS 122 CG -0.0003 -0.0049 -0.0001 3111 HIS 122 ND1 0.0001 -0.0050 -0.0003 3112 HIS 122 CD2 -0.0006 -0.0046 0.0004 3113 HIS 122 CE1 0.0001 -0.0048 0.0001 3114 HIS 122 NE2 -0.0003 -0.0046 0.0005 3115 ALA 123 N -0.0006 -0.0045 0.0007 3116 ALA 123 CA -0.0005 -0.0042 0.0012 3117 ALA 123 C -0.0010 -0.0040 0.0015 3118 ALA 123 O -0.0012 -0.0038 0.0019 3119 ALA 123 CB 0.0001 -0.0041 0.0012 3120 SER 124 N 0.0022 -0.0045 -0.0002 3121 SER 124 CA 0.0016 -0.0043 -0.0002 3122 SER 124 C 0.0017 -0.0042 -0.0002 3123 SER 124 O 0.0014 -0.0038 -0.0001 3124 SER 124 CB 0.0011 -0.0048 -0.0003 3125 SER 124 OG 0.0010 -0.0049 -0.0003 3126 LEU 125 N 0.0019 -0.0046 -0.0002 3127 LEU 125 CA 0.0020 -0.0045 -0.0002 3128 LEU 125 C 0.0024 -0.0040 -0.0001 3129 LEU 125 O 0.0022 -0.0036 -0.0001 3130 LEU 125 CB 0.0023 -0.0050 -0.0003 3131 LEU 125 CG 0.0018 -0.0055 -0.0004 3132 LEU 125 CD1 0.0022 -0.0061 -0.0005 3133 LEU 125 CD2 0.0013 -0.0054 -0.0004 3134 ASP 126 N 0.0028 -0.0039 -0.0001 3135 ASP 126 CA 0.0032 -0.0033 -0.0000 3136 ASP 126 C 0.0029 -0.0028 0.0001 3137 ASP 126 O 0.0029 -0.0024 0.0001 3138 ASP 126 CB 0.0038 -0.0034 -0.0000 3139 ASP 126 CG 0.0043 -0.0030 0.0000 3140 ASP 126 OD1 0.0043 -0.0029 0.0000 3141 ASP 126 OD2 0.0044 -0.0026 0.0001 3142 LYS 127 N 0.0042 -0.0020 0.0022 3143 LYS 127 CA 0.0037 -0.0014 0.0022 3144 LYS 127 C 0.0031 -0.0011 0.0021 3145 LYS 127 O 0.0029 -0.0003 0.0022 3146 LYS 127 CB 0.0033 -0.0017 0.0020 3147 LYS 127 CG 0.0038 -0.0018 0.0021 3148 LYS 127 CD 0.0034 -0.0021 0.0020 3149 LYS 127 CE 0.0028 -0.0015 0.0019 3150 LYS 127 NZ 0.0024 -0.0018 0.0017 3151 PHE 128 N 0.0028 -0.0016 0.0019 3152 PHE 128 CA 0.0022 -0.0013 0.0017 3153 PHE 128 C 0.0026 -0.0008 0.0020 3154 PHE 128 O 0.0021 -0.0001 0.0019 3155 PHE 128 CB 0.0018 -0.0019 0.0015 3156 PHE 128 CG 0.0013 -0.0017 0.0014 3157 PHE 128 CD1 0.0006 -0.0013 0.0012 3158 PHE 128 CD2 0.0016 -0.0020 0.0014 3159 PHE 128 CE1 0.0002 -0.0013 0.0011 3160 PHE 128 CE2 0.0011 -0.0017 0.0013 3161 PHE 128 CZ 0.0005 -0.0014 0.0012 3162 LEU 129 N 0.0032 -0.0011 0.0021 3163 LEU 129 CA 0.0035 -0.0005 0.0023 3164 LEU 129 C 0.0038 0.0002 0.0025 3165 LEU 129 O 0.0037 0.0009 0.0026 3166 LEU 129 CB 0.0042 -0.0009 0.0024 3167 LEU 129 CG 0.0039 -0.0015 0.0022 3168 LEU 129 CD1 0.0046 -0.0021 0.0023 3169 LEU 129 CD2 0.0035 -0.0014 0.0021 3170 ALA 130 N 0.0055 0.0013 0.0031 3171 ALA 130 CA 0.0053 0.0016 0.0024 3172 ALA 130 C 0.0052 0.0020 0.0018 3173 ALA 130 O 0.0054 0.0024 0.0012 3174 ALA 130 CB 0.0048 0.0015 0.0023 3175 SER 131 N 0.0047 0.0018 0.0019 3176 SER 131 CA 0.0044 0.0021 0.0013 3177 SER 131 C 0.0052 0.0023 0.0013 3178 SER 131 O 0.0052 0.0027 0.0006 3179 SER 131 CB 0.0037 0.0017 0.0015 3180 SER 131 OG 0.0031 0.0016 0.0015 3181 VAL 132 N 0.0056 0.0021 0.0019 3182 VAL 132 CA 0.0063 0.0023 0.0018 3183 VAL 132 C 0.0069 0.0027 0.0014 3184 VAL 132 O 0.0072 0.0031 0.0009 3185 VAL 132 CB 0.0067 0.0020 0.0025 3186 VAL 132 CG1 0.0075 0.0023 0.0025 3187 VAL 132 CG2 0.0062 0.0016 0.0029 3188 SER 133 N 0.0087 0.0046 0.0013 3189 SER 133 CA 0.0084 0.0045 0.0019 3190 SER 133 C 0.0085 0.0038 0.0015 3191 SER 133 O 0.0085 0.0042 0.0016 3192 SER 133 CB 0.0079 0.0040 0.0029 3193 SER 133 OG 0.0078 0.0049 0.0034 3194 THR 134 N 0.0086 0.0029 0.0010 3195 THR 134 CA 0.0088 0.0021 0.0005 3196 THR 134 C 0.0093 0.0027 -0.0004 3197 THR 134 O 0.0093 0.0027 -0.0004 3198 THR 134 CB 0.0089 0.0011 0.0001 3199 THR 134 OG1 0.0084 0.0005 0.0009 3200 THR 134 CG2 0.0091 0.0003 -0.0005 3201 VAL 135 N 0.0096 0.0032 -0.0009 3202 VAL 135 CA 0.0101 0.0038 -0.0017 3203 VAL 135 C 0.0099 0.0046 -0.0012 3204 VAL 135 O 0.0102 0.0048 -0.0016 3205 VAL 135 CB 0.0105 0.0043 -0.0025 3206 VAL 135 CG1 0.0109 0.0051 -0.0032 3207 VAL 135 CG2 0.0106 0.0034 -0.0030 3208 LEU 136 N 0.0109 0.0043 0.0016 3209 LEU 136 CA 0.0100 0.0037 0.0015 3210 LEU 136 C 0.0095 0.0030 0.0019 3211 LEU 136 O 0.0088 0.0024 0.0020 3212 LEU 136 CB 0.0094 0.0043 0.0007 3213 LEU 136 CG 0.0098 0.0050 0.0004 3214 LEU 136 CD1 0.0089 0.0053 -0.0004 3215 LEU 136 CD2 0.0098 0.0045 0.0007 3216 THR 137 N 0.0098 0.0031 0.0020 3217 THR 137 CA 0.0093 0.0024 0.0022 3218 THR 137 C 0.0100 0.0018 0.0031 3219 THR 137 O 0.0097 0.0013 0.0034 3220 THR 137 CB 0.0090 0.0028 0.0017 3221 THR 137 OG1 0.0098 0.0033 0.0018 3222 THR 137 CG2 0.0081 0.0031 0.0010 3223 SER 138 N 0.0109 0.0020 0.0034 3224 SER 138 CA 0.0116 0.0016 0.0042 3225 SER 138 C 0.0112 0.0005 0.0048 3226 SER 138 O 0.0118 0.0003 0.0054 3227 SER 138 CB 0.0124 0.0019 0.0043 3228 SER 138 OG 0.0127 0.0021 0.0043 3229 LYS 139 N 0.0097 0.0026 0.0083 3230 LYS 139 CA 0.0098 0.0008 0.0090 3231 LYS 139 C 0.0087 -0.0002 0.0076 3232 LYS 139 O 0.0086 -0.0018 0.0078 3233 LYS 139 CB 0.0102 0.0001 0.0098 3234 LYS 139 CG 0.0114 0.0010 0.0114 3235 LYS 139 CD 0.0116 0.0004 0.0120 3236 LYS 139 CE 0.0131 0.0011 0.0140 3237 LYS 139 NZ 0.0128 0.0005 0.0137 3238 TYR 140 N 0.0080 0.0006 0.0063 3239 TYR 140 CA 0.0070 -0.0004 0.0050 3240 TYR 140 C 0.0069 -0.0013 0.0050 3241 TYR 140 O 0.0061 -0.0027 0.0042 3242 TYR 140 CB 0.0063 0.0010 0.0035 3243 TYR 140 CG 0.0058 0.0012 0.0027 3244 TYR 140 CD1 0.0050 0.0012 0.0014 3245 TYR 140 CD2 0.0064 0.0016 0.0036 3246 TYR 140 CE1 0.0046 0.0014 0.0008 3247 TYR 140 CE2 0.0061 0.0017 0.0029 3248 TYR 140 CZ 0.0052 0.0018 0.0016 3249 TYR 140 OH 0.0047 0.0018 0.0008 3250 ARG 141 N 0.0075 -0.0005 0.0057 3251 ARG 141 CA 0.0073 -0.0014 0.0057 3252 ARG 141 C 0.0084 -0.0011 0.0073 3253 ARG 141 O 0.0089 0.0002 0.0077 3254 ARG 141 CB 0.0064 -0.0011 0.0042 3255 ARG 141 CG 0.0065 0.0009 0.0039 3256 ARG 141 CD 0.0055 0.0006 0.0024 3257 ARG 141 NE 0.0056 0.0026 0.0020 3258 ARG 141 CZ 0.0051 0.0030 0.0010 3259 ARG 141 NH1 0.0043 0.0020 0.0002 3260 ARG 141 NH2 0.0052 0.0049 0.0008 3261 ARG 141 OXT 0.0083 -0.0019 0.0073 3262 VAL 1 N 0.0123 -0.0058 0.0052 3263 VAL 1 CA 0.0099 0.0009 0.0005 3264 VAL 1 C 0.0116 0.0058 0.0042 3265 VAL 1 O 0.0127 0.0010 0.0064 3266 VAL 1 CB 0.0068 -0.0004 -0.0061 3267 VAL 1 CG1 0.0048 -0.0032 -0.0106 3268 VAL 1 CG2 0.0068 -0.0048 -0.0064 3269 HIS 2 N 0.0096 0.0093 0.0002 3270 HIS 2 CA 0.0096 0.0138 0.0004 3271 HIS 2 C 0.0080 0.0137 -0.0030 3272 HIS 2 O 0.0058 0.0187 -0.0075 3273 HIS 2 CB 0.0124 0.0212 0.0067 3274 HIS 2 CG 0.0133 0.0230 0.0087 3275 HIS 2 ND1 0.0095 0.0309 0.0009 3276 HIS 2 CD2 0.0152 0.0244 0.0127 3277 HIS 2 CE1 0.0097 0.0339 0.0015 3278 HIS 2 NE2 0.0130 0.0286 0.0082 3279 LEU 3 N 0.0096 0.0111 0.0001 3280 LEU 3 CA 0.0074 0.0100 -0.0044 3281 LEU 3 C 0.0084 0.0168 -0.0020 3282 LEU 3 O 0.0111 0.0135 0.0035 3283 LEU 3 CB 0.0068 0.0042 -0.0059 3284 LEU 3 CG 0.0050 0.0008 -0.0099 3285 LEU 3 CD1 0.0041 -0.0050 -0.0121 3286 LEU 3 CD2 0.0023 0.0027 -0.0155 3287 THR 4 N 0.0023 0.0170 -0.0093 3288 THR 4 CA 0.0013 0.0155 -0.0106 3289 THR 4 C 0.0035 0.0106 -0.0135 3290 THR 4 O 0.0038 0.0091 -0.0145 3291 THR 4 CB -0.0053 0.0165 -0.0115 3292 THR 4 OG1 -0.0073 0.0134 -0.0142 3293 THR 4 CG2 -0.0069 0.0204 -0.0092 3294 PRO 5 N 0.0048 0.0092 -0.0142 3295 PRO 5 CA 0.0073 0.0037 -0.0174 3296 PRO 5 C 0.0032 0.0009 -0.0204 3297 PRO 5 O 0.0035 -0.0023 -0.0226 3298 PRO 5 CB 0.0061 0.0030 -0.0182 3299 PRO 5 CG 0.0065 0.0059 -0.0160 3300 PRO 5 CD 0.0062 0.0106 -0.0128 3301 GLU 6 N -0.0019 0.0028 -0.0203 3302 GLU 6 CA -0.0055 0.0004 -0.0229 3303 GLU 6 C -0.0069 0.0015 -0.0225 3304 GLU 6 O -0.0074 -0.0016 -0.0248 3305 GLU 6 CB -0.0119 0.0022 -0.0233 3306 GLU 6 CG -0.0126 0.0048 -0.0216 3307 GLU 6 CD -0.0104 0.0061 -0.0201 3308 GLU 6 OE1 -0.0073 0.0072 -0.0186 3309 GLU 6 OE2 -0.0065 0.0125 -0.0146 3310 GLU 7 N -0.0028 0.0044 -0.0171 3311 GLU 7 CA -0.0026 0.0035 -0.0177 3312 GLU 7 C -0.0006 0.0012 -0.0173 3313 GLU 7 O -0.0009 -0.0001 -0.0187 3314 GLU 7 CB -0.0023 0.0048 -0.0161 3315 GLU 7 CG -0.0045 0.0071 -0.0168 3316 GLU 7 CD -0.0041 0.0083 -0.0152 3317 GLU 7 OE1 -0.0055 0.0091 -0.0163 3318 GLU 7 OE2 -0.0027 0.0084 -0.0134 3319 LYS 8 N 0.0005 0.0013 -0.0158 3320 LYS 8 CA 0.0023 -0.0009 -0.0154 3321 LYS 8 C 0.0024 -0.0024 -0.0167 3322 LYS 8 O 0.0026 -0.0041 -0.0180 3323 LYS 8 CB 0.0035 0.0001 -0.0131 3324 LYS 8 CG 0.0052 -0.0023 -0.0130 3325 LYS 8 CD 0.0064 -0.0021 -0.0113 3326 LYS 8 CE 0.0084 -0.0050 -0.0114 3327 LYS 8 NZ 0.0105 -0.0048 -0.0087 3328 SER 9 N 0.0013 -0.0019 -0.0176 3329 SER 9 CA 0.0011 -0.0034 -0.0193 3330 SER 9 C -0.0001 -0.0039 -0.0212 3331 SER 9 O 0.0003 -0.0057 -0.0223 3332 SER 9 CB 0.0007 -0.0029 -0.0192 3333 SER 9 OG -0.0004 -0.0026 -0.0204 3334 ALA 10 N -0.0016 0.0009 -0.0114 3335 ALA 10 CA -0.0021 0.0008 -0.0110 3336 ALA 10 C -0.0026 0.0012 -0.0111 3337 ALA 10 O -0.0030 0.0011 -0.0107 3338 ALA 10 CB -0.0022 0.0010 -0.0112 3339 VAL 11 N -0.0025 0.0016 -0.0114 3340 VAL 11 CA -0.0030 0.0020 -0.0115 3341 VAL 11 C -0.0031 0.0019 -0.0113 3342 VAL 11 O -0.0035 0.0019 -0.0111 3343 VAL 11 CB -0.0028 0.0024 -0.0120 3344 VAL 11 CG1 -0.0031 0.0027 -0.0120 3345 VAL 11 CG2 -0.0029 0.0026 -0.0121 3346 THR 12 N -0.0026 0.0017 -0.0115 3347 THR 12 CA -0.0026 0.0015 -0.0113 3348 THR 12 C -0.0028 0.0012 -0.0109 3349 THR 12 O -0.0032 0.0012 -0.0107 3350 THR 12 CB -0.0019 0.0013 -0.0116 3351 THR 12 OG1 -0.0019 0.0018 -0.0120 3352 THR 12 CG2 -0.0020 0.0011 -0.0114 3353 ALA 13 N -0.0089 0.0008 -0.0037 3354 ALA 13 CA -0.0085 0.0015 -0.0034 3355 ALA 13 C -0.0077 0.0019 -0.0030 3356 ALA 13 O -0.0075 0.0026 -0.0029 3357 ALA 13 CB -0.0083 0.0015 -0.0034 3358 LEU 14 N -0.0072 0.0011 -0.0028 3359 LEU 14 CA -0.0065 0.0014 -0.0024 3360 LEU 14 C -0.0066 0.0018 -0.0025 3361 LEU 14 O -0.0061 0.0024 -0.0022 3362 LEU 14 CB -0.0059 0.0004 -0.0021 3363 LEU 14 CG -0.0051 0.0006 -0.0016 3364 LEU 14 CD1 -0.0047 0.0008 -0.0014 3365 LEU 14 CD2 -0.0047 -0.0001 -0.0014 3366 TRP 15 N -0.0072 0.0014 -0.0028 3367 TRP 15 CA -0.0072 0.0017 -0.0028 3368 TRP 15 C -0.0076 0.0027 -0.0030 3369 TRP 15 O -0.0073 0.0032 -0.0029 3370 TRP 15 CB -0.0079 0.0011 -0.0031 3371 TRP 15 CG -0.0078 0.0012 -0.0031 3372 TRP 15 CD1 -0.0083 0.0017 -0.0034 3373 TRP 15 CD2 -0.0071 0.0008 -0.0027 3374 TRP 15 NE1 -0.0081 0.0016 -0.0032 3375 TRP 15 CE2 -0.0073 0.0011 -0.0028 3376 TRP 15 CE3 -0.0065 0.0003 -0.0024 3377 TRP 15 CZ2 -0.0068 0.0009 -0.0026 3378 TRP 15 CZ3 -0.0061 -0.0001 -0.0021 3379 TRP 15 CH2 -0.0063 0.0004 -0.0023 3380 GLY 16 N -0.0115 0.0025 -0.0022 3381 GLY 16 CA -0.0121 0.0039 -0.0018 3382 GLY 16 C -0.0115 0.0045 -0.0006 3383 GLY 16 O -0.0120 0.0058 -0.0003 3384 LYS 17 N -0.0105 0.0042 0.0002 3385 LYS 17 CA -0.0097 0.0046 0.0014 3386 LYS 17 C -0.0097 0.0052 0.0019 3387 LYS 17 O -0.0093 0.0056 0.0026 3388 LYS 17 CB -0.0085 0.0037 0.0021 3389 LYS 17 CG -0.0085 0.0035 0.0019 3390 LYS 17 CD -0.0074 0.0029 0.0027 3391 LYS 17 CE -0.0066 0.0018 0.0027 3392 LYS 17 NZ -0.0057 0.0026 0.0044 3393 VAL 18 N -0.0102 0.0046 0.0009 3394 VAL 18 CA -0.0102 0.0047 0.0010 3395 VAL 18 C -0.0111 0.0063 0.0011 3396 VAL 18 O -0.0119 0.0063 0.0002 3397 VAL 18 CB -0.0103 0.0038 0.0002 3398 VAL 18 CG1 -0.0105 0.0038 -0.0001 3399 VAL 18 CG2 -0.0093 0.0022 0.0001 3400 ASN 19 N -0.0092 0.0024 -0.0031 3401 ASN 19 CA -0.0077 0.0021 -0.0030 3402 ASN 19 C -0.0072 0.0018 -0.0019 3403 ASN 19 O -0.0068 0.0016 -0.0014 3404 ASN 19 CB -0.0071 0.0021 -0.0042 3405 ASN 19 CG -0.0058 0.0019 -0.0047 3406 ASN 19 OD1 -0.0046 0.0015 -0.0037 3407 ASN 19 ND2 -0.0048 0.0019 -0.0057 3408 VAL 20 N -0.0069 0.0016 -0.0012 3409 VAL 20 CA -0.0063 0.0012 0.0004 3410 VAL 20 C -0.0054 0.0010 0.0006 3411 VAL 20 O -0.0049 0.0008 0.0014 3412 VAL 20 CB -0.0067 0.0011 0.0015 3413 VAL 20 CG1 -0.0078 0.0014 0.0011 3414 VAL 20 CG2 -0.0056 0.0009 0.0018 3415 ASP 21 N -0.0043 0.0009 -0.0003 3416 ASP 21 CA -0.0032 0.0007 -0.0006 3417 ASP 21 C -0.0031 0.0007 -0.0007 3418 ASP 21 O -0.0026 0.0005 0.0003 3419 ASP 21 CB -0.0022 0.0007 -0.0017 3420 ASP 21 CG -0.0019 0.0006 -0.0015 3421 ASP 21 OD1 -0.0019 0.0004 -0.0002 3422 ASP 21 OD2 -0.0008 0.0005 -0.0020 3423 GLU 22 N -0.0056 0.0020 -0.0004 3424 GLU 22 CA -0.0055 0.0020 -0.0004 3425 GLU 22 C -0.0058 0.0017 0.0001 3426 GLU 22 O -0.0057 0.0017 0.0003 3427 GLU 22 CB -0.0057 0.0022 -0.0009 3428 GLU 22 CG -0.0059 0.0022 -0.0009 3429 GLU 22 CD -0.0061 0.0025 -0.0015 3430 GLU 22 OE1 -0.0066 0.0027 -0.0017 3431 GLU 22 OE2 -0.0056 0.0026 -0.0017 3432 VAL 23 N -0.0063 0.0018 0.0002 3433 VAL 23 CA -0.0067 0.0016 0.0006 3434 VAL 23 C -0.0064 0.0014 0.0011 3435 VAL 23 O -0.0064 0.0012 0.0014 3436 VAL 23 CB -0.0073 0.0017 0.0006 3437 VAL 23 CG1 -0.0075 0.0015 0.0010 3438 VAL 23 CG2 -0.0074 0.0019 0.0001 3439 GLY 24 N -0.0062 0.0013 0.0012 3440 GLY 24 CA -0.0060 0.0011 0.0016 3441 GLY 24 C -0.0055 0.0010 0.0017 3442 GLY 24 O -0.0054 0.0008 0.0021 3443 GLY 25 N -0.0039 0.0010 -0.0014 3444 GLY 25 CA -0.0039 0.0011 -0.0012 3445 GLY 25 C -0.0040 0.0010 -0.0010 3446 GLY 25 O -0.0040 0.0011 -0.0008 3447 GLU 26 N -0.0042 0.0008 -0.0011 3448 GLU 26 CA -0.0044 0.0008 -0.0010 3449 GLU 26 C -0.0045 0.0008 -0.0007 3450 GLU 26 O -0.0046 0.0008 -0.0005 3451 GLU 26 CB -0.0046 0.0006 -0.0011 3452 GLU 26 CG -0.0046 0.0006 -0.0011 3453 GLU 26 CD -0.0048 0.0005 -0.0009 3454 GLU 26 OE1 -0.0049 0.0005 -0.0008 3455 GLU 26 OE2 -0.0050 0.0004 -0.0012 3456 ALA 27 N -0.0045 0.0007 -0.0008 3457 ALA 27 CA -0.0046 0.0007 -0.0006 3458 ALA 27 C -0.0045 0.0009 -0.0004 3459 ALA 27 O -0.0045 0.0009 -0.0002 3460 ALA 27 CB -0.0047 0.0006 -0.0008 3461 LEU 28 N -0.0012 -0.0003 -0.0005 3462 LEU 28 CA -0.0012 0.0001 -0.0004 3463 LEU 28 C -0.0017 0.0002 -0.0003 3464 LEU 28 O -0.0019 0.0006 -0.0002 3465 LEU 28 CB -0.0009 0.0001 -0.0005 3466 LEU 28 CG -0.0008 0.0006 -0.0004 3467 LEU 28 CD1 -0.0007 0.0009 -0.0003 3468 LEU 28 CD2 -0.0005 0.0005 -0.0005 3469 GLY 29 N -0.0019 -0.0002 -0.0004 3470 GLY 29 CA -0.0024 -0.0002 -0.0003 3471 GLY 29 C -0.0027 0.0000 -0.0002 3472 GLY 29 O -0.0030 0.0003 -0.0001 3473 ARG 30 N -0.0027 -0.0002 -0.0002 3474 ARG 30 CA -0.0030 -0.0000 -0.0001 3475 ARG 30 C -0.0029 0.0005 -0.0001 3476 ARG 30 O -0.0033 0.0007 0.0000 3477 ARG 30 CB -0.0031 -0.0004 -0.0002 3478 ARG 30 CG -0.0033 -0.0008 -0.0003 3479 ARG 30 CD -0.0033 -0.0011 -0.0003 3480 ARG 30 NE -0.0035 -0.0015 -0.0003 3481 ARG 30 CZ -0.0039 -0.0017 -0.0003 3482 ARG 30 NH1 -0.0041 -0.0021 -0.0004 3483 ARG 30 NH2 -0.0042 -0.0014 -0.0002 3484 LEU 31 N -0.0010 -0.0002 -0.0015 3485 LEU 31 CA -0.0010 -0.0000 -0.0016 3486 LEU 31 C -0.0011 0.0002 -0.0015 3487 LEU 31 O -0.0012 0.0003 -0.0014 3488 LEU 31 CB -0.0009 0.0001 -0.0020 3489 LEU 31 CG -0.0009 0.0002 -0.0021 3490 LEU 31 CD1 -0.0008 -0.0000 -0.0022 3491 LEU 31 CD2 -0.0008 0.0004 -0.0024 3492 LEU 32 N -0.0012 0.0005 -0.0014 3493 LEU 32 CA -0.0013 0.0007 -0.0013 3494 LEU 32 C -0.0014 0.0006 -0.0010 3495 LEU 32 O -0.0015 0.0008 -0.0009 3496 LEU 32 CB -0.0013 0.0009 -0.0013 3497 LEU 32 CG -0.0012 0.0010 -0.0016 3498 LEU 32 CD1 -0.0013 0.0012 -0.0016 3499 LEU 32 CD2 -0.0012 0.0012 -0.0018 3500 VAL 33 N -0.0014 0.0004 -0.0009 3501 VAL 33 CA -0.0015 0.0003 -0.0005 3502 VAL 33 C -0.0015 0.0002 -0.0005 3503 VAL 33 O -0.0016 0.0002 -0.0004 3504 VAL 33 CB -0.0015 0.0001 -0.0004 3505 VAL 33 CG1 -0.0016 -0.0000 -0.0002 3506 VAL 33 CG2 -0.0016 0.0003 -0.0004 3507 VAL 34 N -0.0009 0.0012 -0.0012 3508 VAL 34 CA -0.0006 0.0006 -0.0012 3509 VAL 34 C -0.0007 0.0009 -0.0017 3510 VAL 34 O -0.0006 0.0006 -0.0016 3511 VAL 34 CB -0.0002 -0.0003 -0.0015 3512 VAL 34 CG1 0.0001 -0.0009 -0.0016 3513 VAL 34 CG2 -0.0002 -0.0007 -0.0008 3514 TYR 35 N -0.0007 0.0014 -0.0025 3515 TYR 35 CA -0.0007 0.0018 -0.0031 3516 TYR 35 C -0.0011 0.0028 -0.0032 3517 TYR 35 O -0.0011 0.0032 -0.0039 3518 TYR 35 CB -0.0003 0.0015 -0.0041 3519 TYR 35 CG 0.0001 0.0006 -0.0041 3520 TYR 35 CD1 0.0003 0.0001 -0.0038 3521 TYR 35 CD2 0.0003 0.0002 -0.0042 3522 TYR 35 CE1 0.0007 -0.0008 -0.0038 3523 TYR 35 CE2 0.0007 -0.0007 -0.0041 3524 TYR 35 CZ 0.0009 -0.0012 -0.0040 3525 TYR 35 OH 0.0013 -0.0021 -0.0038 3526 PRO 36 N -0.0015 0.0032 -0.0025 3527 PRO 36 CA -0.0019 0.0042 -0.0025 3528 PRO 36 C -0.0020 0.0048 -0.0032 3529 PRO 36 O -0.0023 0.0055 -0.0034 3530 PRO 36 CB -0.0022 0.0043 -0.0015 3531 PRO 36 CG -0.0020 0.0035 -0.0013 3532 PRO 36 CD -0.0015 0.0029 -0.0018 3533 TRP 37 N -0.0023 0.0040 -0.0043 3534 TRP 37 CA -0.0024 0.0044 -0.0048 3535 TRP 37 C -0.0021 0.0044 -0.0050 3536 TRP 37 O -0.0022 0.0048 -0.0053 3537 TRP 37 CB -0.0021 0.0046 -0.0053 3538 TRP 37 CG -0.0014 0.0043 -0.0054 3539 TRP 37 CD1 -0.0008 0.0042 -0.0057 3540 TRP 37 CD2 -0.0012 0.0039 -0.0051 3541 TRP 37 NE1 -0.0003 0.0039 -0.0057 3542 TRP 37 CE2 -0.0005 0.0036 -0.0053 3543 TRP 37 CE3 -0.0015 0.0037 -0.0047 3544 TRP 37 CZ2 -0.0001 0.0033 -0.0051 3545 TRP 37 CZ3 -0.0012 0.0033 -0.0044 3546 TRP 37 CH2 -0.0005 0.0032 -0.0047 3547 THR 38 N -0.0017 0.0039 -0.0047 3548 THR 38 CA -0.0014 0.0038 -0.0048 3549 THR 38 C -0.0019 0.0040 -0.0046 3550 THR 38 O -0.0017 0.0040 -0.0048 3551 THR 38 CB -0.0009 0.0032 -0.0045 3552 THR 38 OG1 -0.0011 0.0029 -0.0039 3553 THR 38 CG2 -0.0003 0.0032 -0.0048 3554 GLN 39 N -0.0025 0.0040 -0.0042 3555 GLN 39 CA -0.0030 0.0041 -0.0040 3556 GLN 39 C -0.0032 0.0046 -0.0044 3557 GLN 39 O -0.0035 0.0048 -0.0044 3558 GLN 39 CB -0.0035 0.0041 -0.0036 3559 GLN 39 CG -0.0033 0.0035 -0.0031 3560 GLN 39 CD -0.0039 0.0035 -0.0027 3561 GLN 39 OE1 -0.0045 0.0039 -0.0027 3562 GLN 39 NE2 -0.0038 0.0031 -0.0023 3563 ARG 40 N -0.0010 0.0055 -0.0047 3564 ARG 40 CA -0.0010 0.0053 -0.0045 3565 ARG 40 C -0.0007 0.0049 -0.0038 3566 ARG 40 O -0.0006 0.0043 -0.0035 3567 ARG 40 CB -0.0008 0.0061 -0.0042 3568 ARG 40 CG -0.0006 0.0065 -0.0036 3569 ARG 40 CD -0.0007 0.0073 -0.0038 3570 ARG 40 NE -0.0007 0.0072 -0.0038 3571 ARG 40 CZ -0.0004 0.0068 -0.0032 3572 ARG 40 NH1 -0.0002 0.0070 -0.0026 3573 ARG 40 NH2 -0.0006 0.0068 -0.0035 3574 PHE 41 N -0.0005 0.0050 -0.0032 3575 PHE 41 CA -0.0002 0.0046 -0.0025 3576 PHE 41 C -0.0002 0.0037 -0.0026 3577 PHE 41 O 0.0000 0.0034 -0.0019 3578 PHE 41 CB 0.0001 0.0051 -0.0018 3579 PHE 41 CG 0.0001 0.0060 -0.0018 3580 PHE 41 CD1 -0.0001 0.0067 -0.0022 3581 PHE 41 CD2 0.0002 0.0060 -0.0014 3582 PHE 41 CE1 0.0000 0.0073 -0.0020 3583 PHE 41 CE2 0.0003 0.0067 -0.0013 3584 PHE 41 CZ 0.0001 0.0074 -0.0017 3585 PHE 42 N -0.0005 0.0036 -0.0033 3586 PHE 42 CA -0.0005 0.0030 -0.0032 3587 PHE 42 C -0.0007 0.0022 -0.0037 3588 PHE 42 O -0.0009 0.0019 -0.0042 3589 PHE 42 CB -0.0006 0.0033 -0.0034 3590 PHE 42 CG -0.0003 0.0038 -0.0027 3591 PHE 42 CD1 -0.0004 0.0048 -0.0030 3592 PHE 42 CD2 -0.0000 0.0036 -0.0020 3593 PHE 42 CE1 -0.0001 0.0053 -0.0023 3594 PHE 42 CE2 0.0002 0.0041 -0.0015 3595 PHE 42 CZ 0.0001 0.0050 -0.0017 3596 GLU 43 N 0.0007 0.0085 -0.0032 3597 GLU 43 CA -0.0005 0.0085 -0.0031 3598 GLU 43 C -0.0007 0.0076 -0.0030 3599 GLU 43 O -0.0016 0.0075 -0.0029 3600 GLU 43 CB -0.0006 0.0094 -0.0032 3601 GLU 43 CG -0.0004 0.0100 -0.0033 3602 GLU 43 CD -0.0013 0.0109 -0.0034 3603 GLU 43 OE1 -0.0027 0.0105 -0.0033 3604 GLU 43 OE2 -0.0017 0.0122 -0.0036 3605 SER 44 N 0.0005 0.0074 -0.0030 3606 SER 44 CA 0.0009 0.0067 -0.0030 3607 SER 44 C 0.0006 0.0056 -0.0028 3608 SER 44 O 0.0006 0.0046 -0.0026 3609 SER 44 CB 0.0020 0.0067 -0.0030 3610 SER 44 OG 0.0029 0.0062 -0.0030 3611 PHE 45 N 0.0002 0.0050 -0.0027 3612 PHE 45 CA 0.0002 0.0037 -0.0025 3613 PHE 45 C -0.0013 0.0032 -0.0023 3614 PHE 45 O -0.0010 0.0021 -0.0022 3615 PHE 45 CB 0.0004 0.0037 -0.0025 3616 PHE 45 CG 0.0017 0.0036 -0.0026 3617 PHE 45 CD1 0.0021 0.0030 -0.0025 3618 PHE 45 CD2 0.0026 0.0039 -0.0027 3619 PHE 45 CE1 0.0035 0.0029 -0.0026 3620 PHE 45 CE2 0.0038 0.0039 -0.0028 3621 PHE 45 CZ 0.0043 0.0033 -0.0027 3622 GLY 46 N -0.0006 0.0061 -0.0039 3623 GLY 46 CA 0.0002 0.0067 -0.0038 3624 GLY 46 C 0.0014 0.0064 -0.0034 3625 GLY 46 O 0.0011 0.0053 -0.0034 3626 ASP 47 N 0.0017 0.0072 -0.0035 3627 ASP 47 CA 0.0030 0.0062 -0.0031 3628 ASP 47 C 0.0023 0.0063 -0.0032 3629 ASP 47 O 0.0019 0.0072 -0.0034 3630 ASP 47 CB 0.0033 0.0077 -0.0031 3631 ASP 47 CG 0.0045 0.0074 -0.0028 3632 ASP 47 OD1 0.0048 0.0083 -0.0029 3633 ASP 47 OD2 0.0047 0.0065 -0.0027 3634 LEU 48 N 0.0025 0.0054 -0.0031 3635 LEU 48 CA 0.0021 0.0049 -0.0031 3636 LEU 48 C 0.0031 0.0046 -0.0028 3637 LEU 48 O 0.0030 0.0038 -0.0027 3638 LEU 48 CB 0.0015 0.0041 -0.0031 3639 LEU 48 CG 0.0005 0.0046 -0.0034 3640 LEU 48 CD1 -0.0003 0.0035 -0.0035 3641 LEU 48 CD2 0.0000 0.0055 -0.0037 3642 SER 49 N 0.0046 0.0060 -0.0021 3643 SER 49 CA 0.0052 0.0052 -0.0008 3644 SER 49 C 0.0057 0.0045 0.0002 3645 SER 49 O 0.0057 0.0030 0.0007 3646 SER 49 CB 0.0060 0.0064 0.0002 3647 SER 49 OG 0.0062 0.0074 0.0004 3648 THR 50 N 0.0054 0.0051 -0.0005 3649 THR 50 CA 0.0054 0.0036 -0.0000 3650 THR 50 C 0.0047 0.0036 -0.0011 3651 THR 50 O 0.0043 0.0044 -0.0022 3652 THR 50 CB 0.0061 0.0051 0.0008 3653 THR 50 OG1 0.0059 0.0064 0.0001 3654 THR 50 CG2 0.0068 0.0055 0.0020 3655 PRO 51 N 0.0047 0.0027 -0.0009 3656 PRO 51 CA 0.0041 0.0024 -0.0018 3657 PRO 51 C 0.0039 0.0036 -0.0025 3658 PRO 51 O 0.0032 0.0039 -0.0038 3659 PRO 51 CB 0.0044 0.0013 -0.0011 3660 PRO 51 CG 0.0047 0.0005 -0.0002 3661 PRO 51 CD 0.0053 0.0017 0.0004 3662 ASP 52 N 0.0051 0.0043 -0.0027 3663 ASP 52 CA 0.0048 0.0054 -0.0032 3664 ASP 52 C 0.0046 0.0054 -0.0033 3665 ASP 52 O 0.0041 0.0060 -0.0037 3666 ASP 52 CB 0.0059 0.0058 -0.0031 3667 ASP 52 CG 0.0064 0.0059 -0.0030 3668 ASP 52 OD1 0.0056 0.0058 -0.0031 3669 ASP 52 OD2 0.0069 0.0044 -0.0021 3670 ALA 53 N 0.0051 0.0049 -0.0029 3671 ALA 53 CA 0.0050 0.0049 -0.0030 3672 ALA 53 C 0.0038 0.0046 -0.0032 3673 ALA 53 O 0.0033 0.0049 -0.0035 3674 ALA 53 CB 0.0054 0.0043 -0.0026 3675 VAL 54 N 0.0035 0.0036 -0.0029 3676 VAL 54 CA 0.0023 0.0033 -0.0031 3677 VAL 54 C 0.0018 0.0040 -0.0036 3678 VAL 54 O 0.0010 0.0043 -0.0040 3679 VAL 54 CB 0.0022 0.0023 -0.0028 3680 VAL 54 CG1 0.0010 0.0021 -0.0031 3681 VAL 54 CG2 0.0027 0.0017 -0.0023 3682 MET 55 N 0.0020 0.0022 -0.0035 3683 MET 55 CA 0.0014 0.0025 -0.0041 3684 MET 55 C 0.0020 0.0030 -0.0049 3685 MET 55 O 0.0015 0.0031 -0.0052 3686 MET 55 CB 0.0011 0.0027 -0.0044 3687 MET 55 CG 0.0006 0.0024 -0.0040 3688 MET 55 SD -0.0002 0.0020 -0.0034 3689 MET 55 CE -0.0008 0.0023 -0.0041 3690 GLY 56 N 0.0028 0.0029 -0.0047 3691 GLY 56 CA 0.0029 0.0033 -0.0053 3692 GLY 56 C 0.0033 0.0032 -0.0051 3693 GLY 56 O 0.0038 0.0034 -0.0054 3694 ASN 57 N 0.0034 0.0028 -0.0044 3695 ASN 57 CA 0.0038 0.0026 -0.0041 3696 ASN 57 C 0.0033 0.0028 -0.0044 3697 ASN 57 O 0.0026 0.0028 -0.0044 3698 ASN 57 CB 0.0038 0.0022 -0.0033 3699 ASN 57 CG 0.0041 0.0020 -0.0029 3700 ASN 57 OD1 0.0039 0.0021 -0.0031 3701 ASN 57 ND2 0.0045 0.0018 -0.0024 3702 PRO 58 N 0.0033 -0.0009 -0.0031 3703 PRO 58 CA 0.0035 -0.0010 -0.0027 3704 PRO 58 C 0.0036 -0.0008 -0.0017 3705 PRO 58 O 0.0036 -0.0006 -0.0013 3706 PRO 58 CB 0.0041 -0.0019 -0.0029 3707 PRO 58 CG 0.0038 -0.0017 -0.0035 3708 PRO 58 CD 0.0039 -0.0018 -0.0035 3709 LYS 59 N 0.0038 -0.0009 -0.0013 3710 LYS 59 CA 0.0039 -0.0008 -0.0005 3711 LYS 59 C 0.0033 0.0001 -0.0000 3712 LYS 59 O 0.0034 0.0003 0.0007 3713 LYS 59 CB 0.0043 -0.0011 -0.0001 3714 LYS 59 CG 0.0049 -0.0018 -0.0001 3715 LYS 59 CD 0.0050 -0.0020 -0.0001 3716 LYS 59 CE 0.0058 -0.0027 0.0006 3717 LYS 59 NZ 0.0061 -0.0034 -0.0001 3718 VAL 60 N 0.0029 0.0004 -0.0007 3719 VAL 60 CA 0.0023 0.0013 -0.0005 3720 VAL 60 C 0.0022 0.0015 -0.0004 3721 VAL 60 O 0.0019 0.0020 0.0001 3722 VAL 60 CB 0.0019 0.0016 -0.0011 3723 VAL 60 CG1 0.0013 0.0024 -0.0010 3724 VAL 60 CG2 0.0021 0.0014 -0.0010 3725 LYS 61 N 0.0034 0.0003 -0.0004 3726 LYS 61 CA 0.0031 0.0005 -0.0007 3727 LYS 61 C 0.0035 0.0003 0.0005 3728 LYS 61 O 0.0030 0.0010 0.0013 3729 LYS 61 CB 0.0032 0.0001 -0.0025 3730 LYS 61 CG 0.0025 0.0004 -0.0039 3731 LYS 61 CD 0.0030 -0.0002 -0.0052 3732 LYS 61 CE 0.0021 0.0002 -0.0071 3733 LYS 61 NZ 0.0025 -0.0005 -0.0083 3734 ALA 62 N 0.0048 -0.0007 0.0011 3735 ALA 62 CA 0.0055 -0.0011 0.0024 3736 ALA 62 C 0.0050 -0.0003 0.0041 3737 ALA 62 O 0.0047 0.0001 0.0048 3738 ALA 62 CB 0.0068 -0.0023 0.0024 3739 HIS 63 N 0.0048 -0.0001 0.0044 3740 HIS 63 CA 0.0044 0.0007 0.0061 3741 HIS 63 C 0.0030 0.0019 0.0060 3742 HIS 63 O 0.0027 0.0024 0.0073 3743 HIS 63 CB 0.0045 0.0006 0.0067 3744 HIS 63 CG 0.0045 0.0010 0.0086 3745 HIS 63 ND1 0.0052 0.0006 0.0097 3746 HIS 63 CD2 0.0033 0.0022 0.0089 3747 HIS 63 CE1 0.0043 0.0017 0.0111 3748 HIS 63 NE2 0.0039 0.0020 0.0105 3749 GLY 64 N 0.0018 -0.0002 0.0058 3750 GLY 64 CA -0.0004 0.0010 0.0054 3751 GLY 64 C -0.0010 0.0014 0.0051 3752 GLY 64 O -0.0021 0.0022 0.0062 3753 LYS 65 N 0.0008 -0.0000 0.0038 3754 LYS 65 CA 0.0007 0.0000 0.0037 3755 LYS 65 C 0.0014 0.0001 0.0061 3756 LYS 65 O 0.0004 0.0008 0.0066 3757 LYS 65 CB 0.0024 -0.0015 0.0017 3758 LYS 65 CG 0.0022 -0.0013 0.0019 3759 LYS 65 CD 0.0051 -0.0035 -0.0003 3760 LYS 65 CE 0.0053 -0.0033 0.0010 3761 LYS 65 NZ 0.0064 -0.0046 -0.0015 3762 LYS 66 N 0.0030 -0.0005 0.0077 3763 LYS 66 CA 0.0039 -0.0006 0.0102 3764 LYS 66 C 0.0017 0.0010 0.0113 3765 LYS 66 O 0.0014 0.0016 0.0129 3766 LYS 66 CB 0.0057 -0.0014 0.0113 3767 LYS 66 CG 0.0069 -0.0018 0.0130 3768 LYS 66 CD 0.0102 -0.0038 0.0129 3769 LYS 66 CE 0.0107 -0.0035 0.0159 3770 LYS 66 NZ 0.0129 -0.0043 0.0183 3771 VAL 67 N -0.0009 -0.0030 0.0083 3772 VAL 67 CA -0.0021 -0.0026 0.0094 3773 VAL 67 C -0.0033 -0.0025 0.0086 3774 VAL 67 O -0.0041 -0.0022 0.0092 3775 VAL 67 CB -0.0023 -0.0025 0.0100 3776 VAL 67 CG1 -0.0040 -0.0021 0.0104 3777 VAL 67 CG2 -0.0010 -0.0026 0.0108 3778 LEU 68 N -0.0038 -0.0026 0.0072 3779 LEU 68 CA -0.0051 -0.0024 0.0066 3780 LEU 68 C -0.0049 -0.0025 0.0061 3781 LEU 68 O -0.0058 -0.0023 0.0060 3782 LEU 68 CB -0.0059 -0.0024 0.0052 3783 LEU 68 CG -0.0073 -0.0022 0.0051 3784 LEU 68 CD1 -0.0082 -0.0018 0.0062 3785 LEU 68 CD2 -0.0077 -0.0023 0.0039 3786 GLY 69 N -0.0034 -0.0029 0.0057 3787 GLY 69 CA -0.0030 -0.0030 0.0056 3788 GLY 69 C -0.0032 -0.0028 0.0069 3789 GLY 69 O -0.0039 -0.0026 0.0067 3790 ALA 70 N -0.0053 -0.0073 0.0061 3791 ALA 70 CA -0.0053 -0.0073 0.0060 3792 ALA 70 C -0.0048 -0.0070 0.0059 3793 ALA 70 O -0.0046 -0.0068 0.0061 3794 ALA 70 CB -0.0056 -0.0077 0.0055 3795 PHE 71 N -0.0044 -0.0068 0.0056 3796 PHE 71 CA -0.0038 -0.0064 0.0055 3797 PHE 71 C -0.0036 -0.0061 0.0061 3798 PHE 71 O -0.0034 -0.0059 0.0062 3799 PHE 71 CB -0.0035 -0.0063 0.0050 3800 PHE 71 CG -0.0029 -0.0059 0.0049 3801 PHE 71 CD1 -0.0028 -0.0060 0.0043 3802 PHE 71 CD2 -0.0027 -0.0056 0.0054 3803 PHE 71 CE1 -0.0022 -0.0056 0.0042 3804 PHE 71 CE2 -0.0022 -0.0053 0.0052 3805 PHE 71 CZ -0.0019 -0.0052 0.0046 3806 SER 72 N -0.0039 -0.0061 0.0065 3807 SER 72 CA -0.0038 -0.0059 0.0071 3808 SER 72 C -0.0038 -0.0058 0.0074 3809 SER 72 O -0.0035 -0.0054 0.0078 3810 SER 72 CB -0.0038 -0.0057 0.0077 3811 SER 72 OG -0.0038 -0.0058 0.0073 3812 ASP 73 N -0.0030 -0.0088 0.0062 3813 ASP 73 CA -0.0029 -0.0088 0.0062 3814 ASP 73 C -0.0023 -0.0085 0.0060 3815 ASP 73 O -0.0018 -0.0082 0.0063 3816 ASP 73 CB -0.0039 -0.0093 0.0062 3817 ASP 73 CG -0.0041 -0.0094 0.0070 3818 ASP 73 OD1 -0.0046 -0.0098 0.0076 3819 ASP 73 OD2 -0.0056 -0.0101 0.0065 3820 GLY 74 N -0.0019 -0.0082 0.0050 3821 GLY 74 CA -0.0012 -0.0078 0.0045 3822 GLY 74 C -0.0003 -0.0073 0.0048 3823 GLY 74 O 0.0004 -0.0069 0.0047 3824 LEU 75 N -0.0003 -0.0074 0.0053 3825 LEU 75 CA 0.0006 -0.0070 0.0058 3826 LEU 75 C 0.0009 -0.0069 0.0066 3827 LEU 75 O 0.0017 -0.0066 0.0069 3828 LEU 75 CB 0.0005 -0.0070 0.0060 3829 LEU 75 CG 0.0007 -0.0069 0.0054 3830 LEU 75 CD1 0.0010 -0.0066 0.0045 3831 LEU 75 CD2 0.0003 -0.0071 0.0052 3832 ALA 76 N 0.0038 -0.0090 0.0076 3833 ALA 76 CA 0.0018 -0.0087 0.0101 3834 ALA 76 C 0.0019 -0.0094 0.0091 3835 ALA 76 O 0.0014 -0.0087 0.0106 3836 ALA 76 CB 0.0007 -0.0094 0.0104 3837 HIS 77 N 0.0027 -0.0103 0.0070 3838 HIS 77 CA 0.0022 -0.0109 0.0067 3839 HIS 77 C 0.0035 -0.0116 0.0041 3840 HIS 77 O 0.0035 -0.0127 0.0025 3841 HIS 77 CB -0.0002 -0.0132 0.0059 3842 HIS 77 CG -0.0021 -0.0135 0.0077 3843 HIS 77 ND1 -0.0024 -0.0139 0.0075 3844 HIS 77 CD2 -0.0035 -0.0135 0.0092 3845 HIS 77 CE1 -0.0048 -0.0138 0.0103 3846 HIS 77 NE2 -0.0046 -0.0132 0.0108 3847 LEU 78 N 0.0059 -0.0096 0.0043 3848 LEU 78 CA 0.0075 -0.0093 0.0029 3849 LEU 78 C 0.0081 -0.0098 0.0015 3850 LEU 78 O 0.0090 -0.0101 0.0001 3851 LEU 78 CB 0.0099 -0.0075 0.0028 3852 LEU 78 CG 0.0110 -0.0077 0.0014 3853 LEU 78 CD1 0.0124 -0.0054 0.0031 3854 LEU 78 CD2 0.0111 -0.0085 0.0001 3855 ASP 79 N 0.0118 -0.0108 0.0073 3856 ASP 79 CA 0.0137 -0.0114 0.0038 3857 ASP 79 C 0.0097 -0.0123 0.0004 3858 ASP 79 O 0.0103 -0.0130 -0.0030 3859 ASP 79 CB 0.0130 -0.0109 0.0066 3860 ASP 79 CG 0.0147 -0.0101 0.0099 3861 ASP 79 OD1 0.0169 -0.0095 0.0122 3862 ASP 79 OD2 0.0204 -0.0102 0.0073 3863 ASN 80 N 0.0065 -0.0122 0.0020 3864 ASN 80 CA 0.0033 -0.0134 -0.0024 3865 ASN 80 C -0.0004 -0.0135 -0.0019 3866 ASN 80 O -0.0037 -0.0139 -0.0025 3867 ASN 80 CB 0.0008 -0.0134 -0.0019 3868 ASN 80 CG -0.0020 -0.0135 -0.0014 3869 ASN 80 OD1 -0.0041 -0.0146 -0.0060 3870 ASN 80 ND2 -0.0022 -0.0128 0.0024 3871 LEU 81 N 0.0025 -0.0137 -0.0037 3872 LEU 81 CA 0.0001 -0.0139 -0.0041 3873 LEU 81 C -0.0032 -0.0149 -0.0078 3874 LEU 81 O -0.0068 -0.0150 -0.0073 3875 LEU 81 CB 0.0035 -0.0138 -0.0049 3876 LEU 81 CG 0.0057 -0.0129 -0.0010 3877 LEU 81 CD1 0.0089 -0.0129 -0.0019 3878 LEU 81 CD2 0.0035 -0.0123 0.0026 3879 LYS 82 N -0.0027 -0.0240 -0.0069 3880 LYS 82 CA -0.0042 -0.0218 -0.0088 3881 LYS 82 C -0.0065 -0.0181 -0.0112 3882 LYS 82 O -0.0078 -0.0147 -0.0112 3883 LYS 82 CB -0.0038 -0.0259 -0.0121 3884 LYS 82 CG -0.0022 -0.0281 -0.0098 3885 LYS 82 CD -0.0018 -0.0323 -0.0134 3886 LYS 82 CE 0.0018 -0.0353 -0.0061 3887 LYS 82 NZ 0.0013 -0.0389 -0.0118 3888 GLY 83 N -0.0077 -0.0177 -0.0145 3889 GLY 83 CA -0.0100 -0.0144 -0.0176 3890 GLY 83 C -0.0104 -0.0109 -0.0148 3891 GLY 83 O -0.0120 -0.0063 -0.0144 3892 THR 84 N -0.0087 -0.0111 -0.0101 3893 THR 84 CA -0.0092 -0.0075 -0.0075 3894 THR 84 C -0.0097 -0.0044 -0.0055 3895 THR 84 O -0.0105 -0.0009 -0.0037 3896 THR 84 CB -0.0074 -0.0089 -0.0035 3897 THR 84 OG1 -0.0074 -0.0109 -0.0060 3898 THR 84 CG2 -0.0073 -0.0057 0.0002 3899 PHE 85 N -0.0059 -0.0059 -0.0058 3900 PHE 85 CA -0.0036 -0.0030 -0.0007 3901 PHE 85 C -0.0039 -0.0019 -0.0019 3902 PHE 85 O -0.0024 -0.0003 0.0015 3903 PHE 85 CB -0.0021 -0.0068 0.0037 3904 PHE 85 CG -0.0012 -0.0054 0.0055 3905 PHE 85 CD1 -0.0018 -0.0100 0.0050 3906 PHE 85 CD2 0.0002 -0.0010 0.0082 3907 PHE 85 CE1 -0.0010 -0.0095 0.0068 3908 PHE 85 CE2 0.0007 -0.0004 0.0093 3909 PHE 85 CZ 0.0002 -0.0042 0.0088 3910 ALA 86 N -0.0058 -0.0033 -0.0062 3911 ALA 86 CA -0.0060 -0.0034 -0.0066 3912 ALA 86 C -0.0051 0.0030 -0.0057 3913 ALA 86 O -0.0039 0.0033 -0.0028 3914 ALA 86 CB -0.0086 -0.0036 -0.0128 3915 THR 87 N -0.0055 0.0069 -0.0075 3916 THR 87 CA -0.0046 0.0123 -0.0062 3917 THR 87 C -0.0021 0.0137 -0.0003 3918 THR 87 O -0.0011 0.0157 0.0016 3919 THR 87 CB -0.0054 0.0170 -0.0091 3920 THR 87 OG1 -0.0076 0.0158 -0.0144 3921 THR 87 CG2 -0.0048 0.0221 -0.0088 3922 LEU 88 N 0.0010 0.0121 0.0036 3923 LEU 88 CA 0.0031 0.0127 0.0082 3924 LEU 88 C 0.0044 0.0088 0.0107 3925 LEU 88 O 0.0060 0.0101 0.0142 3926 LEU 88 CB 0.0042 0.0122 0.0105 3927 LEU 88 CG 0.0038 0.0168 0.0099 3928 LEU 88 CD1 0.0044 0.0149 0.0110 3929 LEU 88 CD2 0.0044 0.0209 0.0116 3930 SER 89 N 0.0035 0.0041 0.0084 3931 SER 89 CA 0.0044 0.0005 0.0099 3932 SER 89 C 0.0046 0.0026 0.0105 3933 SER 89 O 0.0059 0.0027 0.0133 3934 SER 89 CB 0.0033 -0.0042 0.0074 3935 SER 89 OG 0.0044 -0.0076 0.0094 3936 GLU 90 N 0.0025 0.0044 0.0063 3937 GLU 90 CA 0.0022 0.0073 0.0058 3938 GLU 90 C 0.0035 0.0117 0.0089 3939 GLU 90 O 0.0043 0.0122 0.0107 3940 GLU 90 CB -0.0003 0.0081 0.0005 3941 GLU 90 CG -0.0004 0.0089 0.0003 3942 GLU 90 CD -0.0042 0.0090 -0.0079 3943 GLU 90 OE1 -0.0037 0.0147 -0.0063 3944 GLU 90 OE2 -0.0043 0.0085 -0.0081 3945 LEU 91 N 0.0040 0.0100 0.0096 3946 LEU 91 CA 0.0046 0.0119 0.0112 3947 LEU 91 C 0.0058 0.0114 0.0136 3948 LEU 91 O 0.0063 0.0125 0.0149 3949 LEU 91 CB 0.0044 0.0136 0.0114 3950 LEU 91 CG 0.0051 0.0158 0.0133 3951 LEU 91 CD1 0.0045 0.0181 0.0128 3952 LEU 91 CD2 0.0052 0.0169 0.0138 3953 HIS 92 N 0.0065 0.0094 0.0145 3954 HIS 92 CA 0.0079 0.0091 0.0171 3955 HIS 92 C 0.0080 0.0072 0.0168 3956 HIS 92 O 0.0088 0.0077 0.0186 3957 HIS 92 CB 0.0083 0.0070 0.0173 3958 HIS 92 CG 0.0087 0.0083 0.0186 3959 HIS 92 ND1 0.0077 0.0094 0.0168 3960 HIS 92 CD2 0.0096 0.0091 0.0205 3961 HIS 92 CE1 0.0084 0.0104 0.0184 3962 HIS 92 NE2 0.0094 0.0108 0.0205 3963 CYS 93 N 0.0072 0.0062 0.0148 3964 CYS 93 CA 0.0073 0.0052 0.0148 3965 CYS 93 C 0.0070 0.0074 0.0148 3966 CYS 93 O 0.0076 0.0074 0.0161 3967 CYS 93 CB 0.0067 0.0031 0.0130 3968 CYS 93 SG 0.0068 0.0017 0.0128 3969 ASP 94 N 0.0074 0.0110 0.0148 3970 ASP 94 CA 0.0076 0.0116 0.0148 3971 ASP 94 C 0.0071 0.0112 0.0148 3972 ASP 94 O 0.0069 0.0116 0.0148 3973 ASP 94 CB 0.0086 0.0115 0.0147 3974 ASP 94 CG 0.0092 0.0122 0.0147 3975 ASP 94 OD1 0.0087 0.0125 0.0147 3976 ASP 94 OD2 0.0101 0.0117 0.0147 3977 LYS 95 N 0.0070 0.0103 0.0148 3978 LYS 95 CA 0.0065 0.0099 0.0149 3979 LYS 95 C 0.0056 0.0098 0.0149 3980 LYS 95 O 0.0049 0.0099 0.0149 3981 LYS 95 CB 0.0070 0.0091 0.0149 3982 LYS 95 CG 0.0080 0.0091 0.0149 3983 LYS 95 CD 0.0079 0.0101 0.0148 3984 LYS 95 CE 0.0086 0.0105 0.0148 3985 LYS 95 NZ 0.0080 0.0113 0.0148 3986 LEU 96 N 0.0053 0.0093 0.0149 3987 LEU 96 CA 0.0044 0.0090 0.0149 3988 LEU 96 C 0.0038 0.0098 0.0149 3989 LEU 96 O 0.0030 0.0096 0.0149 3990 LEU 96 CB 0.0045 0.0081 0.0150 3991 LEU 96 CG 0.0051 0.0074 0.0150 3992 LEU 96 CD1 0.0051 0.0065 0.0150 3993 LEU 96 CD2 0.0047 0.0072 0.0150 3994 HIS 97 N 0.0015 0.0063 0.0069 3995 HIS 97 CA 0.0014 0.0066 0.0065 3996 HIS 97 C 0.0017 0.0058 0.0074 3997 HIS 97 O 0.0012 0.0059 0.0078 3998 HIS 97 CB 0.0004 0.0075 0.0064 3999 HIS 97 CG 0.0000 0.0085 0.0055 4000 HIS 97 ND1 0.0008 0.0086 0.0044 4001 HIS 97 CD2 -0.0009 0.0089 0.0059 4002 HIS 97 CE1 0.0002 0.0095 0.0037 4003 HIS 97 NE2 -0.0006 0.0095 0.0047 4004 VAL 98 N 0.0026 0.0048 0.0079 4005 VAL 98 CA 0.0028 0.0040 0.0088 4006 VAL 98 C 0.0037 0.0036 0.0082 4007 VAL 98 O 0.0047 0.0033 0.0076 4008 VAL 98 CB 0.0032 0.0032 0.0095 4009 VAL 98 CG1 0.0037 0.0022 0.0104 4010 VAL 98 CG2 0.0021 0.0036 0.0102 4011 ASP 99 N 0.0036 0.0036 0.0084 4012 ASP 99 CA 0.0045 0.0032 0.0080 4013 ASP 99 C 0.0054 0.0021 0.0085 4014 ASP 99 O 0.0051 0.0016 0.0096 4015 ASP 99 CB 0.0040 0.0033 0.0085 4016 ASP 99 CG 0.0048 0.0029 0.0081 4017 ASP 99 OD1 0.0042 0.0032 0.0084 4018 ASP 99 OD2 0.0058 0.0025 0.0075 4019 PRO 100 N 0.0041 -0.0012 0.0112 4020 PRO 100 CA 0.0037 -0.0007 0.0111 4021 PRO 100 C 0.0020 -0.0000 0.0096 4022 PRO 100 O 0.0019 -0.0002 0.0093 4023 PRO 100 CB 0.0047 0.0000 0.0129 4024 PRO 100 CG 0.0050 0.0009 0.0140 4025 PRO 100 CD 0.0048 -0.0001 0.0129 4026 GLU 101 N 0.0010 0.0008 0.0091 4027 GLU 101 CA -0.0004 0.0013 0.0077 4028 GLU 101 C -0.0007 -0.0002 0.0061 4029 GLU 101 O -0.0017 -0.0000 0.0051 4030 GLU 101 CB -0.0014 0.0022 0.0073 4031 GLU 101 CG -0.0032 0.0028 0.0056 4032 GLU 101 CD -0.0042 0.0047 0.0060 4033 GLU 101 OE1 -0.0034 0.0055 0.0075 4034 GLU 101 OE2 -0.0053 0.0042 0.0041 4035 ASN 102 N 0.0003 -0.0019 0.0060 4036 ASN 102 CA 0.0003 -0.0037 0.0045 4037 ASN 102 C 0.0007 -0.0039 0.0048 4038 ASN 102 O -0.0001 -0.0046 0.0033 4039 ASN 102 CB 0.0015 -0.0052 0.0048 4040 ASN 102 CG 0.0010 -0.0052 0.0041 4041 ASN 102 OD1 0.0001 -0.0055 0.0028 4042 ASN 102 ND2 0.0019 -0.0050 0.0054 4043 PHE 103 N 0.0037 -0.0054 0.0086 4044 PHE 103 CA 0.0031 -0.0050 0.0085 4045 PHE 103 C 0.0005 -0.0032 0.0070 4046 PHE 103 O -0.0002 -0.0031 0.0052 4047 PHE 103 CB 0.0034 -0.0045 0.0110 4048 PHE 103 CG 0.0059 -0.0062 0.0126 4049 PHE 103 CD1 0.0077 -0.0083 0.0110 4050 PHE 103 CD2 0.0063 -0.0058 0.0155 4051 PHE 103 CE1 0.0099 -0.0098 0.0122 4052 PHE 103 CE2 0.0086 -0.0074 0.0167 4053 PHE 103 CZ 0.0104 -0.0094 0.0152 4054 ARG 104 N -0.0009 -0.0017 0.0078 4055 ARG 104 CA -0.0032 0.0001 0.0069 4056 ARG 104 C -0.0037 -0.0005 0.0036 4057 ARG 104 O -0.0051 0.0003 0.0020 4058 ARG 104 CB -0.0045 0.0017 0.0088 4059 ARG 104 CG -0.0041 0.0021 0.0114 4060 ARG 104 CD -0.0051 0.0037 0.0137 4061 ARG 104 NE -0.0044 0.0038 0.0164 4062 ARG 104 CZ -0.0048 0.0052 0.0200 4063 ARG 104 NH1 -0.0055 0.0052 0.0177 4064 ARG 104 NH2 -0.0060 0.0064 0.0205 4065 LEU 105 N -0.0025 -0.0016 0.0031 4066 LEU 105 CA -0.0028 -0.0022 0.0003 4067 LEU 105 C -0.0023 -0.0033 -0.0018 4068 LEU 105 O -0.0035 -0.0028 -0.0039 4069 LEU 105 CB -0.0016 -0.0033 0.0002 4070 LEU 105 CG -0.0020 -0.0026 0.0014 4071 LEU 105 CD1 -0.0007 -0.0037 0.0014 4072 LEU 105 CD2 -0.0044 -0.0007 0.0007 4073 LEU 106 N -0.0028 -0.0007 -0.0006 4074 LEU 106 CA -0.0026 -0.0014 -0.0011 4075 LEU 106 C -0.0029 -0.0009 -0.0010 4076 LEU 106 O -0.0031 -0.0011 -0.0017 4077 LEU 106 CB -0.0018 -0.0021 -0.0004 4078 LEU 106 CG -0.0015 -0.0028 -0.0009 4079 LEU 106 CD1 -0.0016 -0.0033 -0.0019 4080 LEU 106 CD2 -0.0008 -0.0033 -0.0001 4081 GLY 107 N -0.0030 -0.0002 -0.0003 4082 GLY 107 CA -0.0033 0.0004 -0.0001 4083 GLY 107 C -0.0040 0.0008 -0.0010 4084 GLY 107 O -0.0043 0.0008 -0.0015 4085 ASN 108 N -0.0044 0.0011 -0.0013 4086 ASN 108 CA -0.0051 0.0015 -0.0021 4087 ASN 108 C -0.0052 0.0009 -0.0030 4088 ASN 108 O -0.0056 0.0011 -0.0037 4089 ASN 108 CB -0.0056 0.0021 -0.0021 4090 ASN 108 CG -0.0057 0.0031 -0.0011 4091 ASN 108 OD1 -0.0058 0.0034 -0.0009 4092 ASN 108 ND2 -0.0060 0.0034 -0.0012 4093 VAL 109 N -0.0046 -0.0000 -0.0022 4094 VAL 109 CA -0.0046 -0.0001 -0.0025 4095 VAL 109 C -0.0047 0.0000 -0.0022 4096 VAL 109 O -0.0046 0.0003 -0.0025 4097 VAL 109 CB -0.0045 -0.0008 -0.0026 4098 VAL 109 CG1 -0.0045 -0.0010 -0.0029 4099 VAL 109 CG2 -0.0044 -0.0010 -0.0031 4100 LEU 110 N -0.0048 -0.0001 -0.0016 4101 LEU 110 CA -0.0049 0.0002 -0.0013 4102 LEU 110 C -0.0049 0.0008 -0.0014 4103 LEU 110 O -0.0049 0.0011 -0.0014 4104 LEU 110 CB -0.0051 0.0000 -0.0007 4105 LEU 110 CG -0.0052 0.0002 -0.0003 4106 LEU 110 CD1 -0.0051 0.0000 -0.0004 4107 LEU 110 CD2 -0.0053 0.0000 0.0003 4108 VAL 111 N -0.0049 0.0012 -0.0014 4109 VAL 111 CA -0.0048 0.0018 -0.0015 4110 VAL 111 C -0.0047 0.0020 -0.0020 4111 VAL 111 O -0.0047 0.0024 -0.0021 4112 VAL 111 CB -0.0048 0.0021 -0.0014 4113 VAL 111 CG1 -0.0048 0.0028 -0.0016 4114 VAL 111 CG2 -0.0050 0.0021 -0.0007 4115 CYS 112 N -0.0067 -0.0004 -0.0002 4116 CYS 112 CA -0.0065 -0.0003 0.0001 4117 CYS 112 C -0.0066 0.0000 0.0006 4118 CYS 112 O -0.0063 0.0001 0.0010 4119 CYS 112 CB -0.0065 -0.0004 0.0001 4120 CYS 112 SG -0.0061 -0.0008 -0.0003 4121 VAL 113 N -0.0071 0.0002 0.0005 4122 VAL 113 CA -0.0073 0.0005 0.0009 4123 VAL 113 C -0.0073 0.0006 0.0011 4124 VAL 113 O -0.0071 0.0008 0.0015 4125 VAL 113 CB -0.0079 0.0007 0.0007 4126 VAL 113 CG1 -0.0081 0.0010 0.0011 4127 VAL 113 CG2 -0.0080 0.0007 0.0006 4128 LEU 114 N -0.0072 0.0005 0.0009 4129 LEU 114 CA -0.0071 0.0005 0.0011 4130 LEU 114 C -0.0066 0.0004 0.0014 4131 LEU 114 O -0.0065 0.0006 0.0017 4132 LEU 114 CB -0.0072 0.0003 0.0007 4133 LEU 114 CG -0.0077 0.0004 0.0004 4134 LEU 114 CD1 -0.0077 0.0002 0.0000 4135 LEU 114 CD2 -0.0080 0.0007 0.0008 4136 ALA 115 N -0.0075 -0.0017 0.0037 4137 ALA 115 CA -0.0067 -0.0010 0.0033 4138 ALA 115 C -0.0065 -0.0009 0.0032 4139 ALA 115 O -0.0061 -0.0002 0.0034 4140 ALA 115 CB -0.0061 -0.0011 0.0024 4141 HIS 116 N -0.0068 -0.0016 0.0027 4142 HIS 116 CA -0.0067 -0.0016 0.0026 4143 HIS 116 C -0.0070 -0.0013 0.0035 4144 HIS 116 O -0.0066 -0.0007 0.0036 4145 HIS 116 CB -0.0071 -0.0025 0.0021 4146 HIS 116 CG -0.0069 -0.0026 0.0018 4147 HIS 116 ND1 -0.0075 -0.0031 0.0020 4148 HIS 116 CD2 -0.0062 -0.0022 0.0014 4149 HIS 116 CE1 -0.0071 -0.0031 0.0015 4150 HIS 116 NE2 -0.0063 -0.0024 0.0012 4151 HIS 117 N -0.0077 -0.0015 0.0041 4152 HIS 117 CA -0.0081 -0.0013 0.0049 4153 HIS 117 C -0.0077 -0.0004 0.0055 4154 HIS 117 O -0.0077 0.0001 0.0060 4155 HIS 117 CB -0.0090 -0.0019 0.0054 4156 HIS 117 CG -0.0094 -0.0018 0.0061 4157 HIS 117 ND1 -0.0096 -0.0022 0.0060 4158 HIS 117 CD2 -0.0096 -0.0012 0.0071 4159 HIS 117 CE1 -0.0101 -0.0017 0.0071 4160 HIS 117 NE2 -0.0101 -0.0014 0.0075 4161 PHE 118 N -0.0125 0.0021 0.0092 4162 PHE 118 CA -0.0085 0.0003 0.0106 4163 PHE 118 C -0.0070 -0.0006 0.0114 4164 PHE 118 O -0.0038 -0.0024 0.0131 4165 PHE 118 CB -0.0058 0.0009 0.0080 4166 PHE 118 CG -0.0074 0.0014 0.0080 4167 PHE 118 CD1 -0.0089 0.0031 0.0056 4168 PHE 118 CD2 -0.0068 -0.0005 0.0112 4169 PHE 118 CE1 -0.0104 0.0038 0.0051 4170 PHE 118 CE2 -0.0085 -0.0000 0.0111 4171 PHE 118 CZ -0.0108 0.0019 0.0087 4172 GLY 119 N -0.0079 0.0003 0.0102 4173 GLY 119 CA -0.0065 -0.0007 0.0114 4174 GLY 119 C -0.0019 -0.0009 0.0096 4175 GLY 119 O -0.0002 0.0000 0.0070 4176 LYS 120 N 0.0003 -0.0030 0.0123 4177 LYS 120 CA 0.0043 -0.0035 0.0112 4178 LYS 120 C 0.0066 -0.0040 0.0110 4179 LYS 120 O 0.0098 -0.0036 0.0087 4180 LYS 120 CB 0.0054 -0.0056 0.0146 4181 LYS 120 CG 0.0072 -0.0072 0.0165 4182 LYS 120 CD 0.0097 -0.0097 0.0200 4183 LYS 120 CE 0.0080 -0.0109 0.0229 4184 LYS 120 NZ 0.0129 -0.0142 0.0265 4185 GLU 121 N -0.0002 -0.0028 0.0096 4186 GLU 121 CA 0.0008 -0.0028 0.0095 4187 GLU 121 C 0.0010 -0.0016 0.0074 4188 GLU 121 O 0.0025 -0.0015 0.0071 4189 GLU 121 CB -0.0004 -0.0034 0.0109 4190 GLU 121 CG 0.0006 -0.0035 0.0110 4191 GLU 121 CD -0.0001 -0.0047 0.0133 4192 GLU 121 OE1 0.0002 -0.0041 0.0121 4193 GLU 121 OE2 -0.0021 -0.0046 0.0132 4194 PHE 122 N -0.0005 -0.0011 0.0064 4195 PHE 122 CA -0.0004 0.0000 0.0043 4196 PHE 122 C 0.0012 0.0005 0.0032 4197 PHE 122 O 0.0005 0.0012 0.0021 4198 PHE 122 CB -0.0026 0.0003 0.0038 4199 PHE 122 CG -0.0031 0.0013 0.0019 4200 PHE 122 CD1 -0.0029 0.0014 0.0018 4201 PHE 122 CD2 -0.0034 0.0024 -0.0000 4202 PHE 122 CE1 -0.0032 0.0023 -0.0000 4203 PHE 122 CE2 -0.0035 0.0033 -0.0018 4204 PHE 122 CZ -0.0035 0.0032 -0.0015 4205 THR 123 N 0.0031 0.0003 0.0036 4206 THR 123 CA 0.0047 0.0007 0.0027 4207 THR 123 C 0.0050 0.0018 0.0006 4208 THR 123 O 0.0044 0.0022 -0.0001 4209 THR 123 CB 0.0070 0.0002 0.0035 4210 THR 123 OG1 0.0076 0.0003 0.0034 4211 THR 123 CG2 0.0068 -0.0011 0.0060 4212 PRO 124 N 0.0040 0.0019 -0.0016 4213 PRO 124 CA 0.0044 0.0021 -0.0033 4214 PRO 124 C 0.0046 0.0022 -0.0040 4215 PRO 124 O 0.0038 0.0026 -0.0052 4216 PRO 124 CB 0.0056 0.0019 -0.0035 4217 PRO 124 CG 0.0054 0.0016 -0.0021 4218 PRO 124 CD 0.0050 0.0015 -0.0008 4219 PRO 125 N 0.0054 0.0019 -0.0035 4220 PRO 125 CA 0.0055 0.0020 -0.0041 4221 PRO 125 C 0.0042 0.0023 -0.0043 4222 PRO 125 O 0.0038 0.0026 -0.0053 4223 PRO 125 CB 0.0068 0.0015 -0.0033 4224 PRO 125 CG 0.0076 0.0012 -0.0027 4225 PRO 125 CD 0.0068 0.0013 -0.0023 4226 VAL 126 N 0.0033 0.0023 -0.0028 4227 VAL 126 CA 0.0018 0.0026 -0.0028 4228 VAL 126 C 0.0006 0.0031 -0.0041 4229 VAL 126 O -0.0002 0.0034 -0.0048 4230 VAL 126 CB 0.0010 0.0024 -0.0008 4231 VAL 126 CG1 -0.0004 0.0028 -0.0009 4232 VAL 126 CG2 0.0022 0.0020 -0.0001 4233 GLN 127 N 0.0008 0.0049 -0.0033 4234 GLN 127 CA 0.0006 0.0051 -0.0036 4235 GLN 127 C 0.0004 0.0049 -0.0048 4236 GLN 127 O -0.0001 0.0055 -0.0054 4237 GLN 127 CB 0.0009 0.0049 -0.0026 4238 GLN 127 CG 0.0007 0.0052 -0.0029 4239 GLN 127 CD 0.0012 0.0047 -0.0022 4240 GLN 127 OE1 0.0016 0.0044 -0.0013 4241 GLN 127 NE2 0.0009 0.0050 -0.0024 4242 ALA 128 N 0.0010 0.0039 -0.0052 4243 ALA 128 CA 0.0011 0.0034 -0.0064 4244 ALA 128 C 0.0005 0.0039 -0.0074 4245 ALA 128 O 0.0001 0.0042 -0.0081 4246 ALA 128 CB 0.0017 0.0023 -0.0066 4247 ALA 129 N 0.0003 0.0043 -0.0071 4248 ALA 129 CA -0.0002 0.0048 -0.0080 4249 ALA 129 C -0.0009 0.0058 -0.0080 4250 ALA 129 O -0.0014 0.0061 -0.0090 4251 ALA 129 CB -0.0002 0.0048 -0.0078 4252 TYR 130 N -0.0014 0.0046 -0.0051 4253 TYR 130 CA -0.0016 0.0043 -0.0052 4254 TYR 130 C -0.0017 0.0044 -0.0055 4255 TYR 130 O -0.0017 0.0042 -0.0054 4256 TYR 130 CB -0.0018 0.0041 -0.0054 4257 TYR 130 CG -0.0018 0.0038 -0.0051 4258 TYR 130 CD1 -0.0019 0.0035 -0.0050 4259 TYR 130 CD2 -0.0017 0.0038 -0.0049 4260 TYR 130 CE1 -0.0019 0.0031 -0.0047 4261 TYR 130 CE2 -0.0017 0.0035 -0.0046 4262 TYR 130 CZ -0.0017 0.0032 -0.0045 4263 TYR 130 OH -0.0017 0.0030 -0.0042 4264 GLN 131 N -0.0016 0.0047 -0.0057 4265 GLN 131 CA -0.0017 0.0048 -0.0059 4266 GLN 131 C -0.0016 0.0049 -0.0057 4267 GLN 131 O -0.0016 0.0048 -0.0057 4268 GLN 131 CB -0.0017 0.0052 -0.0062 4269 GLN 131 CG -0.0018 0.0051 -0.0065 4270 GLN 131 CD -0.0021 0.0049 -0.0069 4271 GLN 131 OE1 -0.0022 0.0048 -0.0070 4272 GLN 131 NE2 -0.0021 0.0048 -0.0068 4273 LYS 132 N -0.0014 0.0050 -0.0054 4274 LYS 132 CA -0.0012 0.0051 -0.0052 4275 LYS 132 C -0.0013 0.0048 -0.0050 4276 LYS 132 O -0.0013 0.0047 -0.0049 4277 LYS 132 CB -0.0010 0.0053 -0.0049 4278 LYS 132 CG -0.0009 0.0058 -0.0050 4279 LYS 132 CD -0.0007 0.0060 -0.0047 4280 LYS 132 CE -0.0007 0.0063 -0.0049 4281 LYS 132 NZ -0.0003 0.0065 -0.0044 4282 VAL 133 N -0.0015 -0.0003 -0.0022 4283 VAL 133 CA -0.0005 -0.0011 -0.0021 4284 VAL 133 C 0.0008 -0.0021 -0.0019 4285 VAL 133 O 0.0014 -0.0029 -0.0008 4286 VAL 133 CB -0.0003 -0.0008 -0.0035 4287 VAL 133 CG1 0.0011 -0.0018 -0.0036 4288 VAL 133 CG2 -0.0016 0.0002 -0.0035 4289 VAL 134 N 0.0012 -0.0021 -0.0029 4290 VAL 134 CA 0.0025 -0.0032 -0.0027 4291 VAL 134 C 0.0025 -0.0037 -0.0012 4292 VAL 134 O 0.0034 -0.0046 -0.0004 4293 VAL 134 CB 0.0032 -0.0032 -0.0043 4294 VAL 134 CG1 0.0033 -0.0028 -0.0057 4295 VAL 134 CG2 0.0023 -0.0025 -0.0043 4296 ALA 135 N 0.0014 -0.0030 -0.0006 4297 ALA 135 CA 0.0011 -0.0033 0.0008 4298 ALA 135 C 0.0012 -0.0038 0.0023 4299 ALA 135 O 0.0017 -0.0045 0.0034 4300 ALA 135 CB -0.0001 -0.0024 0.0013 4301 GLY 136 N 0.0008 -0.0111 0.0071 4302 GLY 136 CA 0.0006 -0.0110 0.0068 4303 GLY 136 C 0.0025 -0.0107 0.0069 4304 GLY 136 O 0.0032 -0.0109 0.0077 4305 VAL 137 N 0.0035 -0.0103 0.0058 4306 VAL 137 CA 0.0053 -0.0099 0.0056 4307 VAL 137 C 0.0066 -0.0101 0.0069 4308 VAL 137 O 0.0073 -0.0102 0.0077 4309 VAL 137 CB 0.0063 -0.0093 0.0039 4310 VAL 137 CG1 0.0083 -0.0089 0.0039 4311 VAL 137 CG2 0.0052 -0.0090 0.0025 4312 ALA 138 N 0.0064 -0.0105 0.0080 4313 ALA 138 CA 0.0074 -0.0108 0.0096 4314 ALA 138 C 0.0070 -0.0112 0.0109 4315 ALA 138 O 0.0080 -0.0114 0.0118 4316 ALA 138 CB 0.0069 -0.0111 0.0104 4317 ASN 139 N 0.0058 -0.0199 0.0158 4318 ASN 139 CA 0.0050 -0.0215 0.0149 4319 ASN 139 C 0.0044 -0.0195 0.0125 4320 ASN 139 O 0.0042 -0.0190 0.0117 4321 ASN 139 CB 0.0041 -0.0235 0.0138 4322 ASN 139 CG 0.0038 -0.0262 0.0146 4323 ASN 139 OD1 0.0028 -0.0262 0.0122 4324 ASN 139 ND2 0.0051 -0.0263 0.0177 4325 ALA 140 N 0.0040 -0.0182 0.0108 4326 ALA 140 CA 0.0034 -0.0161 0.0083 4327 ALA 140 C 0.0045 -0.0134 0.0094 4328 ALA 140 O 0.0041 -0.0127 0.0080 4329 ALA 140 CB 0.0031 -0.0150 0.0069 4330 LEU 141 N 0.0056 -0.0123 0.0114 4331 LEU 141 CA 0.0065 -0.0100 0.0124 4332 LEU 141 C 0.0068 -0.0107 0.0135 4333 LEU 141 O 0.0075 -0.0090 0.0140 4334 LEU 141 CB 0.0077 -0.0086 0.0144 4335 LEU 141 CG 0.0077 -0.0068 0.0133 4336 LEU 141 CD1 0.0090 -0.0053 0.0156 4337 LEU 141 CD2 0.0077 -0.0039 0.0119 4338 ALA 142 N 0.0095 -0.0122 0.0157 4339 ALA 142 CA 0.0099 -0.0147 0.0175 4340 ALA 142 C 0.0073 -0.0170 0.0136 4341 ALA 142 O 0.0079 -0.0181 0.0152 4342 ALA 142 CB 0.0111 -0.0195 0.0215 4343 HIS 143 N 0.0046 -0.0172 0.0089 4344 HIS 143 CA 0.0017 -0.0197 0.0047 4345 HIS 143 C 0.0016 -0.0173 0.0036 4346 HIS 143 O 0.0002 -0.0213 0.0026 4347 HIS 143 CB -0.0009 -0.0205 0.0004 4348 HIS 143 CG -0.0036 -0.0230 -0.0034 4349 HIS 143 ND1 -0.0055 -0.0207 -0.0076 4350 HIS 143 CD2 -0.0045 -0.0309 -0.0021 4351 HIS 143 CE1 -0.0077 -0.0265 -0.0094 4352 HIS 143 NE2 -0.0073 -0.0315 -0.0068 4353 LYS 144 N 0.0027 -0.0121 0.0036 4354 LYS 144 CA 0.0028 -0.0081 0.0022 4355 LYS 144 C 0.0047 -0.0087 0.0059 4356 LYS 144 O 0.0053 -0.0053 0.0056 4357 LYS 144 CB 0.0014 -0.0043 -0.0017 4358 LYS 144 CG -0.0016 -0.0051 -0.0068 4359 LYS 144 CD -0.0041 -0.0061 -0.0109 4360 LYS 144 CE -0.0065 -0.0067 -0.0149 4361 LYS 144 NZ -0.0099 -0.0039 -0.0220 4362 TYR 145 N 0.0067 -0.0026 0.0142 4363 TYR 145 CA 0.0070 -0.0028 0.0143 4364 TYR 145 C 0.0068 -0.0035 0.0137 4365 TYR 145 O 0.0068 -0.0040 0.0135 4366 TYR 145 CB 0.0077 -0.0029 0.0148 4367 TYR 145 CG 0.0079 -0.0023 0.0154 4368 TYR 145 CD1 0.0082 -0.0020 0.0158 4369 TYR 145 CD2 0.0078 -0.0018 0.0156 4370 TYR 145 CE1 0.0083 -0.0014 0.0162 4371 TYR 145 CE2 0.0079 -0.0011 0.0161 4372 TYR 145 CZ 0.0082 -0.0009 0.0164 4373 TYR 145 OH 0.0083 -0.0003 0.0170 4374 HIS 146 N 0.0066 -0.0034 0.0136 4375 HIS 146 CA 0.0065 -0.0041 0.0131 4376 HIS 146 C 0.0065 -0.0039 0.0133 4377 HIS 146 O 0.0068 -0.0036 0.0137 4378 HIS 146 CB 0.0056 -0.0039 0.0126 4379 HIS 146 CG 0.0053 -0.0031 0.0128 4380 HIS 146 ND1 0.0048 -0.0030 0.0125 4381 HIS 146 CD2 0.0053 -0.0025 0.0131 4382 HIS 146 CE1 0.0047 -0.0026 0.0125 4383 HIS 146 NE2 0.0048 -0.0019 0.0131 4384 HIS 146 OXT 0.0065 -0.0045 0.0128