1 VAL 1 N 0.0118 0.0099 0.0179 2 VAL 1 CA 0.0130 0.0085 0.0178 3 VAL 1 C 0.0117 0.0047 0.0144 4 VAL 1 O 0.0128 0.0021 0.0134 5 VAL 1 CB 0.0181 0.0073 0.0205 6 VAL 1 CG1 0.0195 0.0064 0.0208 7 VAL 1 CG2 0.0173 0.0102 0.0218 8 LEU 2 N 0.0113 0.0049 0.0142 9 LEU 2 CA 0.0110 0.0008 0.0113 10 LEU 2 C 0.0153 -0.0027 0.0119 11 LEU 2 O 0.0165 -0.0008 0.0140 12 LEU 2 CB 0.0084 0.0023 0.0105 13 LEU 2 CG 0.0045 0.0036 0.0087 14 LEU 2 CD1 0.0022 0.0028 0.0066 15 LEU 2 CD2 0.0023 0.0062 0.0089 16 SER 3 N 0.0156 -0.0048 0.0107 17 SER 3 CA 0.0194 -0.0083 0.0110 18 SER 3 C 0.0186 -0.0093 0.0097 19 SER 3 O 0.0155 -0.0093 0.0076 20 SER 3 CB 0.0194 -0.0112 0.0091 21 SER 3 OG 0.0172 -0.0133 0.0062 22 PRO 4 N 0.0227 -0.0095 0.0124 23 PRO 4 CA 0.0214 -0.0100 0.0112 24 PRO 4 C 0.0194 -0.0135 0.0073 25 PRO 4 O 0.0163 -0.0136 0.0051 26 PRO 4 CB 0.0260 -0.0140 0.0112 27 PRO 4 CG 0.0287 -0.0118 0.0147 28 PRO 4 CD 0.0269 -0.0086 0.0159 29 ALA 5 N 0.0197 -0.0154 0.0061 30 ALA 5 CA 0.0177 -0.0182 0.0027 31 ALA 5 C 0.0125 -0.0156 0.0012 32 ALA 5 O 0.0097 -0.0170 -0.0017 33 ALA 5 CB 0.0192 -0.0208 0.0018 34 ASP 6 N 0.0114 -0.0117 0.0034 35 ASP 6 CA 0.0068 -0.0088 0.0025 36 ASP 6 C 0.0053 -0.0084 0.0018 37 ASP 6 O 0.0014 -0.0086 -0.0008 38 ASP 6 CB 0.0063 -0.0052 0.0049 39 ASP 6 CG 0.0070 -0.0057 0.0049 40 ASP 6 OD1 0.0057 -0.0080 0.0024 41 ASP 6 OD2 0.0087 -0.0031 0.0080 42 LYS 7 N 0.0071 -0.0056 0.0027 43 LYS 7 CA 0.0053 -0.0063 0.0016 44 LYS 7 C 0.0044 -0.0085 -0.0007 45 LYS 7 O 0.0020 -0.0087 -0.0015 46 LYS 7 CB 0.0069 -0.0050 0.0032 47 LYS 7 CG 0.0078 -0.0027 0.0055 48 LYS 7 CD 0.0100 -0.0018 0.0069 49 LYS 7 CE 0.0112 -0.0000 0.0089 50 LYS 7 NZ 0.0127 0.0003 0.0095 51 THR 8 N 0.0071 -0.0102 -0.0016 52 THR 8 CA 0.0062 -0.0125 -0.0039 53 THR 8 C 0.0037 -0.0131 -0.0051 54 THR 8 O 0.0018 -0.0141 -0.0065 55 THR 8 CB 0.0097 -0.0141 -0.0045 56 THR 8 OG1 0.0115 -0.0137 -0.0037 57 THR 8 CG2 0.0091 -0.0161 -0.0065 58 ASN 9 N 0.0035 -0.0120 -0.0041 59 ASN 9 CA 0.0013 -0.0122 -0.0049 60 ASN 9 C -0.0022 -0.0113 -0.0049 61 ASN 9 O -0.0042 -0.0121 -0.0061 62 ASN 9 CB 0.0016 -0.0113 -0.0039 63 ASN 9 CG 0.0044 -0.0127 -0.0045 64 ASN 9 OD1 0.0052 -0.0147 -0.0062 65 ASN 9 ND2 0.0052 -0.0119 -0.0037 66 VAL 10 N -0.0033 -0.0066 -0.0034 67 VAL 10 CA -0.0045 -0.0059 -0.0033 68 VAL 10 C -0.0053 -0.0056 -0.0040 69 VAL 10 O -0.0061 -0.0052 -0.0047 70 VAL 10 CB -0.0046 -0.0055 -0.0019 71 VAL 10 CG1 -0.0058 -0.0047 -0.0018 72 VAL 10 CG2 -0.0040 -0.0057 -0.0013 73 LYS 11 N -0.0048 -0.0057 -0.0036 74 LYS 11 CA -0.0057 -0.0054 -0.0041 75 LYS 11 C -0.0056 -0.0058 -0.0056 76 LYS 11 O -0.0065 -0.0054 -0.0064 77 LYS 11 CB -0.0052 -0.0055 -0.0036 78 LYS 11 CG -0.0053 -0.0052 -0.0024 79 LYS 11 CD -0.0052 -0.0052 -0.0019 80 LYS 11 CE -0.0058 -0.0044 -0.0003 81 LYS 11 NZ -0.0051 -0.0046 0.0003 82 ALA 12 N -0.0047 -0.0064 -0.0061 83 ALA 12 CA -0.0049 -0.0066 -0.0073 84 ALA 12 C -0.0052 -0.0066 -0.0080 85 ALA 12 O -0.0061 -0.0063 -0.0091 86 ALA 12 CB -0.0037 -0.0075 -0.0077 87 ALA 13 N -0.0085 -0.0047 -0.0061 88 ALA 13 CA -0.0076 -0.0043 -0.0078 89 ALA 13 C -0.0073 -0.0023 -0.0081 90 ALA 13 O -0.0066 -0.0013 -0.0092 91 ALA 13 CB -0.0072 -0.0061 -0.0087 92 TRP 14 N -0.0079 -0.0024 -0.0069 93 TRP 14 CA -0.0077 -0.0007 -0.0072 94 TRP 14 C -0.0080 0.0012 -0.0065 95 TRP 14 O -0.0075 0.0027 -0.0072 96 TRP 14 CB -0.0084 -0.0013 -0.0061 97 TRP 14 CG -0.0079 -0.0001 -0.0068 98 TRP 14 CD1 -0.0084 0.0018 -0.0058 99 TRP 14 CD2 -0.0071 -0.0004 -0.0082 100 TRP 14 NE1 -0.0076 0.0022 -0.0071 101 TRP 14 CE2 -0.0070 0.0013 -0.0083 102 TRP 14 CE3 -0.0064 -0.0016 -0.0096 103 TRP 14 CZ2 -0.0063 0.0014 -0.0094 104 TRP 14 CZ3 -0.0057 -0.0011 -0.0108 105 TRP 14 CH2 -0.0057 0.0004 -0.0106 106 GLY 15 N -0.0086 0.0007 -0.0054 107 GLY 15 CA -0.0089 0.0025 -0.0047 108 GLY 15 C -0.0079 0.0028 -0.0064 109 GLY 15 O -0.0078 0.0052 -0.0064 110 LYS 16 N -0.0076 0.0051 -0.0033 111 LYS 16 CA -0.0064 0.0053 -0.0053 112 LYS 16 C -0.0047 0.0071 -0.0069 113 LYS 16 O -0.0038 0.0083 -0.0077 114 LYS 16 CB -0.0066 0.0033 -0.0065 115 LYS 16 CG -0.0055 0.0046 -0.0076 116 LYS 16 CD -0.0067 0.0055 -0.0046 117 LYS 16 CE -0.0047 0.0066 -0.0072 118 LYS 16 NZ -0.0042 0.0054 -0.0091 119 VAL 17 N -0.0046 0.0063 -0.0077 120 VAL 17 CA -0.0034 0.0069 -0.0094 121 VAL 17 C -0.0022 0.0104 -0.0088 122 VAL 17 O -0.0015 0.0110 -0.0096 123 VAL 17 CB -0.0032 0.0058 -0.0107 124 VAL 17 CG1 -0.0020 0.0074 -0.0116 125 VAL 17 CG2 -0.0036 0.0031 -0.0121 126 GLY 18 N -0.0037 0.0101 -0.0063 127 GLY 18 CA -0.0034 0.0124 -0.0049 128 GLY 18 C -0.0016 0.0142 -0.0067 129 GLY 18 O -0.0018 0.0132 -0.0071 130 ALA 19 N -0.0041 0.0189 -0.0105 131 ALA 19 CA -0.0039 0.0200 -0.0106 132 ALA 19 C -0.0009 0.0191 -0.0119 133 ALA 19 O 0.0003 0.0190 -0.0125 134 ALA 19 CB -0.0033 0.0230 -0.0106 135 HIS 20 N 0.0002 0.0175 -0.0125 136 HIS 20 CA 0.0028 0.0165 -0.0137 137 HIS 20 C 0.0022 0.0137 -0.0137 138 HIS 20 O 0.0041 0.0122 -0.0147 139 HIS 20 CB 0.0037 0.0162 -0.0142 140 HIS 20 CG 0.0047 0.0182 -0.0144 141 HIS 20 ND1 0.0064 0.0207 -0.0150 142 HIS 20 CD2 0.0029 0.0200 -0.0135 143 HIS 20 CE1 0.0061 0.0222 -0.0148 144 HIS 20 NE2 0.0049 0.0223 -0.0142 145 ALA 21 N 0.0001 0.0129 -0.0128 146 ALA 21 CA -0.0007 0.0099 -0.0127 147 ALA 21 C 0.0024 0.0091 -0.0142 148 ALA 21 O 0.0023 0.0069 -0.0143 149 ALA 21 CB -0.0031 0.0092 -0.0117 150 GLY 22 N 0.0016 0.0091 -0.0094 151 GLY 22 CA 0.0031 0.0086 -0.0099 152 GLY 22 C 0.0047 0.0084 -0.0105 153 GLY 22 O 0.0061 0.0076 -0.0110 154 GLU 23 N 0.0058 0.0101 -0.0110 155 GLU 23 CA 0.0078 0.0101 -0.0117 156 GLU 23 C 0.0083 0.0082 -0.0119 157 GLU 23 O 0.0098 0.0075 -0.0124 158 GLU 23 CB 0.0079 0.0122 -0.0118 159 GLU 23 CG 0.0100 0.0126 -0.0126 160 GLU 23 CD 0.0099 0.0154 -0.0126 161 GLU 23 OE1 0.0104 0.0142 -0.0127 162 GLU 23 OE2 0.0081 0.0163 -0.0120 163 TYR 24 N 0.0070 0.0080 -0.0114 164 TYR 24 CA 0.0074 0.0064 -0.0115 165 TYR 24 C 0.0072 0.0045 -0.0114 166 TYR 24 O 0.0083 0.0030 -0.0118 167 TYR 24 CB 0.0056 0.0062 -0.0108 168 TYR 24 CG 0.0061 0.0080 -0.0111 169 TYR 24 CD1 0.0050 0.0082 -0.0106 170 TYR 24 CD2 0.0075 0.0094 -0.0116 171 TYR 24 CE1 0.0054 0.0100 -0.0108 172 TYR 24 CE2 0.0078 0.0111 -0.0117 173 TYR 24 CZ 0.0065 0.0111 -0.0113 174 TYR 24 OH 0.0066 0.0129 -0.0113 175 GLY 25 N 0.0081 0.0058 -0.0108 176 GLY 25 CA 0.0079 0.0048 -0.0103 177 GLY 25 C 0.0083 0.0044 -0.0094 178 GLY 25 O 0.0087 0.0040 -0.0086 179 ALA 26 N 0.0083 0.0041 -0.0092 180 ALA 26 CA 0.0086 0.0037 -0.0085 181 ALA 26 C 0.0096 0.0041 -0.0075 182 ALA 26 O 0.0101 0.0038 -0.0067 183 ALA 26 CB 0.0086 0.0035 -0.0084 184 GLU 27 N 0.0100 0.0052 -0.0079 185 GLU 27 CA 0.0109 0.0058 -0.0073 186 GLU 27 C 0.0112 0.0058 -0.0069 187 GLU 27 O 0.0118 0.0057 -0.0061 188 GLU 27 CB 0.0111 0.0069 -0.0080 189 GLU 27 CG 0.0120 0.0076 -0.0074 190 GLU 27 CD 0.0124 0.0089 -0.0079 191 GLU 27 OE1 0.0129 0.0094 -0.0077 192 GLU 27 OE2 0.0119 0.0090 -0.0086 193 ALA 28 N 0.0106 0.0075 -0.0042 194 ALA 28 CA 0.0108 0.0072 -0.0038 195 ALA 28 C 0.0109 0.0062 -0.0030 196 ALA 28 O 0.0114 0.0060 -0.0024 197 ALA 28 CB 0.0101 0.0073 -0.0044 198 LEU 29 N 0.0101 0.0056 -0.0032 199 LEU 29 CA 0.0102 0.0045 -0.0024 200 LEU 29 C 0.0110 0.0045 -0.0016 201 LEU 29 O 0.0114 0.0040 -0.0009 202 LEU 29 CB 0.0092 0.0037 -0.0027 203 LEU 29 CG 0.0084 0.0036 -0.0033 204 LEU 29 CD1 0.0076 0.0031 -0.0035 205 LEU 29 CD2 0.0083 0.0029 -0.0028 206 GLU 30 N 0.0112 0.0050 -0.0018 207 GLU 30 CA 0.0121 0.0051 -0.0011 208 GLU 30 C 0.0130 0.0055 -0.0007 209 GLU 30 O 0.0135 0.0052 0.0000 210 GLU 30 CB 0.0121 0.0055 -0.0014 211 GLU 30 CG 0.0129 0.0056 -0.0008 212 GLU 30 CD 0.0129 0.0061 -0.0012 213 GLU 30 OE1 0.0124 0.0065 -0.0019 214 GLU 30 OE2 0.0134 0.0057 -0.0005 215 ARG 31 N 0.0103 0.0046 -0.0010 216 ARG 31 CA 0.0117 0.0043 -0.0007 217 ARG 31 C 0.0119 0.0044 0.0009 218 ARG 31 O 0.0124 0.0043 0.0011 219 ARG 31 CB 0.0129 0.0039 -0.0013 220 ARG 31 CG 0.0128 0.0037 -0.0029 221 ARG 31 CD 0.0139 0.0034 -0.0034 222 ARG 31 NE 0.0141 0.0031 -0.0051 223 ARG 31 CZ 0.0146 0.0029 -0.0058 224 ARG 31 NH1 0.0151 0.0028 -0.0052 225 ARG 31 NH2 0.0144 0.0028 -0.0072 226 MET 32 N 0.0116 0.0046 0.0017 227 MET 32 CA 0.0118 0.0047 0.0032 228 MET 32 C 0.0109 0.0050 0.0037 229 MET 32 O 0.0113 0.0050 0.0046 230 MET 32 CB 0.0115 0.0049 0.0040 231 MET 32 CG 0.0116 0.0051 0.0056 232 MET 32 SD 0.0111 0.0053 0.0064 233 MET 32 CE 0.0093 0.0057 0.0061 234 PHE 33 N 0.0096 0.0053 0.0034 235 PHE 33 CA 0.0087 0.0056 0.0038 236 PHE 33 C 0.0089 0.0055 0.0035 237 PHE 33 O 0.0089 0.0056 0.0042 238 PHE 33 CB 0.0072 0.0059 0.0033 239 PHE 33 CG 0.0066 0.0061 0.0039 240 PHE 33 CD1 0.0067 0.0063 0.0051 241 PHE 33 CD2 0.0056 0.0062 0.0028 242 PHE 33 CE1 0.0059 0.0065 0.0056 243 PHE 33 CE2 0.0051 0.0065 0.0035 244 PHE 33 CZ 0.0052 0.0066 0.0046 245 LEU 34 N 0.0114 0.0064 -0.0010 246 LEU 34 CA 0.0119 0.0063 -0.0014 247 LEU 34 C 0.0122 0.0057 -0.0013 248 LEU 34 O 0.0126 0.0055 -0.0015 249 LEU 34 CB 0.0120 0.0067 -0.0019 250 LEU 34 CG 0.0119 0.0072 -0.0022 251 LEU 34 CD1 0.0119 0.0076 -0.0026 252 LEU 34 CD2 0.0118 0.0073 -0.0022 253 SER 35 N 0.0121 0.0055 -0.0010 254 SER 35 CA 0.0125 0.0051 -0.0010 255 SER 35 C 0.0124 0.0046 -0.0005 256 SER 35 O 0.0128 0.0041 -0.0005 257 SER 35 CB 0.0123 0.0050 -0.0008 258 SER 35 OG 0.0125 0.0052 -0.0012 259 PHE 36 N 0.0120 0.0047 -0.0001 260 PHE 36 CA 0.0118 0.0044 0.0003 261 PHE 36 C 0.0115 0.0046 0.0004 262 PHE 36 O 0.0110 0.0048 0.0008 263 PHE 36 CB 0.0115 0.0042 0.0007 264 PHE 36 CG 0.0117 0.0040 0.0007 265 PHE 36 CD1 0.0116 0.0044 0.0006 266 PHE 36 CD2 0.0122 0.0035 0.0007 267 PHE 36 CE1 0.0118 0.0042 0.0005 268 PHE 36 CE2 0.0124 0.0033 0.0006 269 PHE 36 CZ 0.0122 0.0037 0.0005 270 PRO 37 N 0.0048 0.0052 0.0099 271 PRO 37 CA 0.0043 0.0051 0.0101 272 PRO 37 C 0.0040 0.0048 0.0105 273 PRO 37 O 0.0035 0.0048 0.0106 274 PRO 37 CB 0.0047 0.0050 0.0101 275 PRO 37 CG 0.0054 0.0051 0.0100 276 PRO 37 CD 0.0054 0.0052 0.0098 277 THR 38 N 0.0041 0.0045 0.0108 278 THR 38 CA 0.0037 0.0042 0.0113 279 THR 38 C 0.0031 0.0043 0.0112 280 THR 38 O 0.0027 0.0042 0.0114 281 THR 38 CB 0.0041 0.0039 0.0116 282 THR 38 OG1 0.0043 0.0041 0.0114 283 THR 38 CG2 0.0046 0.0038 0.0118 284 THR 39 N 0.0031 0.0047 0.0107 285 THR 39 CA 0.0025 0.0048 0.0106 286 THR 39 C 0.0020 0.0049 0.0105 287 THR 39 O 0.0015 0.0049 0.0105 288 THR 39 CB 0.0026 0.0051 0.0102 289 THR 39 OG1 0.0028 0.0054 0.0097 290 THR 39 CG2 0.0030 0.0050 0.0102 291 LYS 40 N 0.0005 0.0047 0.0129 292 LYS 40 CA 0.0014 0.0050 0.0130 293 LYS 40 C 0.0019 0.0045 0.0123 294 LYS 40 O 0.0025 0.0046 0.0123 295 LYS 40 CB 0.0024 0.0052 0.0130 296 LYS 40 CG 0.0022 0.0058 0.0138 297 LYS 40 CD 0.0031 0.0060 0.0139 298 LYS 40 CE 0.0032 0.0057 0.0135 299 LYS 40 NZ 0.0041 0.0059 0.0136 300 THR 41 N 0.0014 0.0038 0.0116 301 THR 41 CA 0.0017 0.0032 0.0109 302 THR 41 C 0.0015 0.0034 0.0111 303 THR 41 O 0.0018 0.0030 0.0106 304 THR 41 CB 0.0011 0.0025 0.0101 305 THR 41 OG1 0.0000 0.0025 0.0103 306 THR 41 CG2 0.0015 0.0024 0.0099 307 TYR 42 N 0.0008 0.0038 0.0117 308 TYR 42 CA 0.0005 0.0038 0.0118 309 TYR 42 C 0.0014 0.0045 0.0124 310 TYR 42 O 0.0012 0.0047 0.0126 311 TYR 42 CB -0.0005 0.0041 0.0123 312 TYR 42 CG -0.0012 0.0034 0.0116 313 TYR 42 CD1 -0.0016 0.0029 0.0111 314 TYR 42 CD2 -0.0017 0.0033 0.0116 315 TYR 42 CE1 -0.0022 0.0024 0.0105 316 TYR 42 CE2 -0.0024 0.0028 0.0110 317 TYR 42 CZ -0.0026 0.0023 0.0105 318 TYR 42 OH -0.0033 0.0017 0.0099 319 PHE 43 N 0.0010 0.0061 0.0145 320 PHE 43 CA 0.0001 0.0057 0.0137 321 PHE 43 C -0.0009 0.0056 0.0142 322 PHE 43 O -0.0013 0.0053 0.0136 323 PHE 43 CB 0.0006 0.0055 0.0127 324 PHE 43 CG 0.0015 0.0055 0.0120 325 PHE 43 CD1 0.0026 0.0058 0.0124 326 PHE 43 CD2 0.0014 0.0052 0.0114 327 PHE 43 CE1 0.0034 0.0058 0.0118 328 PHE 43 CE2 0.0022 0.0053 0.0108 329 PHE 43 CZ 0.0033 0.0056 0.0111 330 PRO 44 N -0.0013 0.0059 0.0152 331 PRO 44 CA -0.0021 0.0058 0.0156 332 PRO 44 C -0.0034 0.0053 0.0150 333 PRO 44 O -0.0042 0.0051 0.0150 334 PRO 44 CB -0.0023 0.0061 0.0166 335 PRO 44 CG -0.0019 0.0062 0.0167 336 PRO 44 CD -0.0009 0.0061 0.0159 337 HIS 45 N -0.0033 0.0052 0.0146 338 HIS 45 CA -0.0043 0.0048 0.0140 339 HIS 45 C -0.0044 0.0044 0.0128 340 HIS 45 O -0.0050 0.0041 0.0123 341 HIS 45 CB -0.0043 0.0048 0.0140 342 HIS 45 CG -0.0033 0.0049 0.0137 343 HIS 45 ND1 -0.0022 0.0052 0.0139 344 HIS 45 CD2 -0.0032 0.0046 0.0128 345 HIS 45 CE1 -0.0014 0.0053 0.0134 346 HIS 45 NE2 -0.0021 0.0049 0.0127 347 PHE 46 N -0.0081 -0.0038 0.0166 348 PHE 46 CA -0.0080 -0.0047 0.0139 349 PHE 46 C -0.0094 -0.0051 0.0159 350 PHE 46 O -0.0088 -0.0036 0.0187 351 PHE 46 CB -0.0046 -0.0024 0.0119 352 PHE 46 CG -0.0039 -0.0028 0.0091 353 PHE 46 CD1 -0.0015 -0.0019 0.0058 354 PHE 46 CD2 -0.0049 -0.0039 0.0083 355 PHE 46 CE1 -0.0004 -0.0019 0.0031 356 PHE 46 CE2 -0.0040 -0.0043 0.0050 357 PHE 46 CZ -0.0017 -0.0033 0.0022 358 ASP 47 N -0.0105 -0.0071 0.0132 359 ASP 47 CA -0.0108 -0.0069 0.0142 360 ASP 47 C -0.0073 -0.0047 0.0122 361 ASP 47 O -0.0067 -0.0052 0.0090 362 ASP 47 CB -0.0130 -0.0098 0.0116 363 ASP 47 CG -0.0135 -0.0098 0.0128 364 ASP 47 OD1 -0.0123 -0.0081 0.0146 365 ASP 47 OD2 -0.0147 -0.0118 0.0102 366 LEU 48 N -0.0063 -0.0029 0.0146 367 LEU 48 CA -0.0036 -0.0009 0.0136 368 LEU 48 C -0.0033 -0.0006 0.0138 369 LEU 48 O -0.0010 0.0009 0.0124 370 LEU 48 CB -0.0012 0.0020 0.0163 371 LEU 48 CG -0.0006 0.0024 0.0156 372 LEU 48 CD1 0.0012 0.0052 0.0192 373 LEU 48 CD2 0.0006 0.0023 0.0127 374 SER 49 N -0.0038 -0.0015 0.0191 375 SER 49 CA -0.0033 -0.0011 0.0177 376 SER 49 C -0.0005 0.0009 0.0108 377 SER 49 O -0.0012 0.0001 0.0054 378 SER 49 CB -0.0078 -0.0046 0.0211 379 SER 49 OG -0.0110 -0.0072 0.0170 380 HIS 50 N 0.0030 0.0037 0.0095 381 HIS 50 CA 0.0049 0.0049 0.0027 382 HIS 50 C 0.0017 0.0022 -0.0035 383 HIS 50 O -0.0028 -0.0014 -0.0024 384 HIS 50 CB 0.0082 0.0075 0.0020 385 HIS 50 CG 0.0099 0.0087 -0.0046 386 HIS 50 ND1 0.0149 0.0126 -0.0073 387 HIS 50 CD2 0.0106 0.0091 -0.0076 388 HIS 50 CE1 0.0158 0.0130 -0.0142 389 HIS 50 NE2 0.0124 0.0103 -0.0144 390 GLY 51 N 0.0014 0.0018 -0.0080 391 GLY 51 CA -0.0014 -0.0007 -0.0143 392 GLY 51 C -0.0067 -0.0049 -0.0139 393 GLY 51 O -0.0099 -0.0076 -0.0180 394 SER 52 N -0.0054 -0.0039 -0.0040 395 SER 52 CA -0.0086 -0.0065 -0.0039 396 SER 52 C -0.0085 -0.0066 -0.0070 397 SER 52 O -0.0065 -0.0052 -0.0088 398 SER 52 CB -0.0087 -0.0061 0.0005 399 SER 52 OG -0.0071 -0.0049 0.0003 400 ALA 53 N -0.0117 -0.0093 -0.0081 401 ALA 53 CA -0.0119 -0.0097 -0.0113 402 ALA 53 C -0.0109 -0.0088 -0.0104 403 ALA 53 O -0.0097 -0.0081 -0.0130 404 ALA 53 CB -0.0159 -0.0129 -0.0118 405 GLN 54 N -0.0108 -0.0083 -0.0061 406 GLN 54 CA -0.0098 -0.0075 -0.0051 407 GLN 54 C -0.0058 -0.0044 -0.0062 408 GLN 54 O -0.0049 -0.0039 -0.0073 409 GLN 54 CB -0.0104 -0.0075 -0.0002 410 GLN 54 CG -0.0139 -0.0102 0.0006 411 GLN 54 CD -0.0148 -0.0105 0.0049 412 GLN 54 OE1 -0.0150 -0.0105 0.0069 413 GLN 54 NE2 -0.0173 -0.0123 0.0066 414 VAL 55 N -0.0032 -0.0014 -0.0035 415 VAL 55 CA 0.0005 -0.0002 -0.0044 416 VAL 55 C 0.0015 0.0001 -0.0079 417 VAL 55 O 0.0032 0.0007 -0.0088 418 VAL 55 CB 0.0023 0.0004 -0.0033 419 VAL 55 CG1 0.0060 0.0016 -0.0045 420 VAL 55 CG2 0.0022 0.0004 0.0006 421 LYS 56 N -0.0003 -0.0005 -0.0108 422 LYS 56 CA -0.0003 -0.0005 -0.0142 423 LYS 56 C -0.0003 -0.0005 -0.0145 424 LYS 56 O 0.0008 -0.0001 -0.0166 425 LYS 56 CB -0.0018 -0.0010 -0.0173 426 LYS 56 CG -0.0003 -0.0005 -0.0167 427 LYS 56 CD -0.0027 -0.0013 -0.0215 428 LYS 56 CE -0.0015 -0.0009 -0.0215 429 LYS 56 NZ -0.0035 -0.0015 -0.0253 430 GLY 57 N -0.0039 -0.0017 -0.0132 431 GLY 57 CA -0.0049 -0.0020 -0.0132 432 GLY 57 C -0.0023 -0.0011 -0.0111 433 GLY 57 O -0.0017 -0.0009 -0.0130 434 HIS 58 N -0.0006 0.0007 -0.0105 435 HIS 58 CA 0.0004 0.0001 -0.0091 436 HIS 58 C 0.0023 0.0009 -0.0104 437 HIS 58 O 0.0021 0.0007 -0.0100 438 HIS 58 CB 0.0013 -0.0006 -0.0074 439 HIS 58 CG 0.0020 -0.0014 -0.0057 440 HIS 58 ND1 0.0005 -0.0019 -0.0049 441 HIS 58 CD2 0.0039 -0.0017 -0.0048 442 HIS 58 CE1 0.0021 -0.0023 -0.0039 443 HIS 58 NE2 0.0038 -0.0022 -0.0036 444 GLY 59 N 0.0033 0.0015 -0.0113 445 GLY 59 CA 0.0049 0.0022 -0.0126 446 GLY 59 C 0.0042 0.0028 -0.0139 447 GLY 59 O 0.0047 0.0029 -0.0140 448 LYS 60 N 0.0021 0.0030 -0.0148 449 LYS 60 CA 0.0008 0.0034 -0.0159 450 LYS 60 C 0.0002 0.0030 -0.0151 451 LYS 60 O 0.0002 0.0032 -0.0155 452 LYS 60 CB -0.0012 0.0039 -0.0173 453 LYS 60 CG -0.0024 0.0044 -0.0184 454 LYS 60 CD -0.0040 0.0047 -0.0195 455 LYS 60 CE -0.0056 0.0053 -0.0210 456 LYS 60 NZ -0.0075 0.0056 -0.0221 457 LYS 61 N -0.0011 0.0021 -0.0131 458 LYS 61 CA -0.0023 0.0011 -0.0129 459 LYS 61 C -0.0018 0.0007 -0.0126 460 LYS 61 O -0.0030 0.0008 -0.0129 461 LYS 61 CB -0.0024 -0.0006 -0.0121 462 LYS 61 CG -0.0035 -0.0008 -0.0122 463 LYS 61 CD -0.0033 -0.0023 -0.0115 464 LYS 61 CE -0.0036 -0.0025 -0.0115 465 LYS 61 NZ -0.0036 -0.0041 -0.0107 466 VAL 62 N -0.0002 0.0008 -0.0123 467 VAL 62 CA 0.0003 0.0007 -0.0121 468 VAL 62 C -0.0000 0.0022 -0.0130 469 VAL 62 O -0.0008 0.0019 -0.0130 470 VAL 62 CB 0.0021 0.0005 -0.0116 471 VAL 62 CG1 0.0029 0.0004 -0.0114 472 VAL 62 CG2 0.0022 -0.0011 -0.0108 473 ALA 63 N 0.0004 0.0033 -0.0134 474 ALA 63 CA -0.0000 0.0047 -0.0142 475 ALA 63 C -0.0016 0.0051 -0.0147 476 ALA 63 O -0.0023 0.0054 -0.0150 477 ALA 63 CB 0.0011 0.0060 -0.0146 478 ASP 64 N -0.0054 0.0041 -0.0108 479 ASP 64 CA -0.0058 0.0042 -0.0103 480 ASP 64 C -0.0059 0.0037 -0.0096 481 ASP 64 O -0.0060 0.0036 -0.0093 482 ASP 64 CB -0.0062 0.0047 -0.0102 483 ASP 64 CG -0.0065 0.0055 -0.0107 484 ASP 64 OD1 -0.0060 0.0053 -0.0112 485 ASP 64 OD2 -0.0068 0.0059 -0.0107 486 ALA 65 N -0.0057 0.0034 -0.0095 487 ALA 65 CA -0.0057 0.0029 -0.0089 488 ALA 65 C -0.0053 0.0023 -0.0089 489 ALA 65 O -0.0054 0.0021 -0.0084 490 ALA 65 CB -0.0056 0.0026 -0.0088 491 LEU 66 N -0.0049 0.0023 -0.0095 492 LEU 66 CA -0.0046 0.0018 -0.0095 493 LEU 66 C -0.0048 0.0020 -0.0095 494 LEU 66 O -0.0047 0.0016 -0.0091 495 LEU 66 CB -0.0041 0.0016 -0.0101 496 LEU 66 CG -0.0037 0.0012 -0.0102 497 LEU 66 CD1 -0.0033 0.0012 -0.0109 498 LEU 66 CD2 -0.0036 0.0006 -0.0097 499 THR 67 N -0.0047 0.0016 -0.0085 500 THR 67 CA -0.0043 0.0012 -0.0076 501 THR 67 C -0.0036 0.0015 -0.0065 502 THR 67 O -0.0033 0.0007 -0.0056 503 THR 67 CB -0.0044 0.0015 -0.0078 504 THR 67 OG1 -0.0048 0.0012 -0.0085 505 THR 67 CG2 -0.0038 0.0014 -0.0067 506 ASN 68 N -0.0035 0.0026 -0.0065 507 ASN 68 CA -0.0029 0.0030 -0.0054 508 ASN 68 C -0.0029 0.0023 -0.0052 509 ASN 68 O -0.0024 0.0019 -0.0042 510 ASN 68 CB -0.0028 0.0043 -0.0056 511 ASN 68 CG -0.0022 0.0048 -0.0046 512 ASN 68 OD1 -0.0017 0.0045 -0.0038 513 ASN 68 ND2 -0.0021 0.0058 -0.0048 514 ALA 69 N -0.0034 0.0019 -0.0061 515 ALA 69 CA -0.0033 0.0012 -0.0057 516 ALA 69 C -0.0033 -0.0001 -0.0053 517 ALA 69 O -0.0031 -0.0006 -0.0047 518 ALA 69 CB -0.0039 0.0011 -0.0068 519 VAL 70 N -0.0057 -0.0003 -0.0045 520 VAL 70 CA -0.0060 -0.0019 -0.0035 521 VAL 70 C -0.0044 -0.0023 -0.0023 522 VAL 70 O -0.0043 -0.0029 -0.0018 523 VAL 70 CB -0.0069 -0.0028 -0.0034 524 VAL 70 CG1 -0.0073 -0.0046 -0.0025 525 VAL 70 CG2 -0.0086 -0.0027 -0.0045 526 ALA 71 N -0.0032 -0.0017 -0.0021 527 ALA 71 CA -0.0015 -0.0019 -0.0010 528 ALA 71 C -0.0011 -0.0012 -0.0012 529 ALA 71 O -0.0000 -0.0018 -0.0001 530 ALA 71 CB -0.0008 -0.0013 -0.0010 531 HIS 72 N -0.0012 -0.0000 -0.0021 532 HIS 72 CA -0.0005 0.0007 -0.0022 533 HIS 72 C -0.0014 0.0009 -0.0028 534 HIS 72 O -0.0014 0.0021 -0.0037 535 HIS 72 CB 0.0005 0.0026 -0.0029 536 HIS 72 CG 0.0012 0.0021 -0.0021 537 HIS 72 ND1 0.0033 0.0024 -0.0011 538 HIS 72 CD2 0.0017 0.0024 -0.0020 539 HIS 72 CE1 0.0038 0.0015 -0.0002 540 HIS 72 NE2 0.0033 0.0022 -0.0010 541 VAL 73 N -0.0009 -0.0011 0.0005 542 VAL 73 CA -0.0030 -0.0012 -0.0007 543 VAL 73 C -0.0032 -0.0009 -0.0016 544 VAL 73 O -0.0038 -0.0005 -0.0032 545 VAL 73 CB -0.0044 -0.0020 0.0003 546 VAL 73 CG1 -0.0049 -0.0027 0.0022 547 VAL 73 CG2 -0.0059 -0.0020 -0.0007 548 ASP 74 N -0.0025 -0.0011 -0.0005 549 ASP 74 CA -0.0028 -0.0009 -0.0014 550 ASP 74 C -0.0011 0.0001 -0.0030 551 ASP 74 O -0.0015 0.0003 -0.0037 552 ASP 74 CB -0.0020 -0.0013 0.0002 553 ASP 74 CG -0.0040 -0.0024 0.0019 554 ASP 74 OD1 -0.0052 -0.0026 0.0016 555 ASP 74 OD2 -0.0034 -0.0030 0.0041 556 ASP 75 N 0.0001 0.0006 -0.0033 557 ASP 75 CA 0.0014 0.0016 -0.0051 558 ASP 75 C 0.0022 0.0020 -0.0057 559 ASP 75 O 0.0041 0.0027 -0.0061 560 ASP 75 CB 0.0040 0.0018 -0.0035 561 ASP 75 CG 0.0039 0.0019 -0.0041 562 ASP 75 OD1 0.0048 0.0027 -0.0057 563 ASP 75 OD2 0.0069 0.0027 -0.0040 564 MET 76 N 0.0007 0.0046 -0.0096 565 MET 76 CA -0.0000 0.0036 -0.0081 566 MET 76 C 0.0005 0.0046 -0.0094 567 MET 76 O 0.0012 0.0031 -0.0089 568 MET 76 CB -0.0026 0.0054 -0.0067 569 MET 76 CG -0.0030 0.0040 -0.0052 570 MET 76 SD -0.0061 0.0050 -0.0026 571 MET 76 CE -0.0075 0.0069 -0.0026 572 PRO 77 N 0.0008 0.0064 -0.0111 573 PRO 77 CA 0.0020 0.0065 -0.0126 574 PRO 77 C 0.0037 0.0048 -0.0130 575 PRO 77 O 0.0041 0.0042 -0.0130 576 PRO 77 CB 0.0022 0.0093 -0.0149 577 PRO 77 CG 0.0003 0.0102 -0.0136 578 PRO 77 CD -0.0000 0.0086 -0.0120 579 ASN 78 N 0.0054 0.0036 -0.0139 580 ASN 78 CA 0.0074 0.0019 -0.0147 581 ASN 78 C 0.0071 -0.0004 -0.0126 582 ASN 78 O 0.0078 -0.0019 -0.0122 583 ASN 78 CB 0.0094 0.0009 -0.0161 584 ASN 78 CG 0.0101 0.0018 -0.0175 585 ASN 78 OD1 0.0094 0.0049 -0.0192 586 ASN 78 ND2 0.0109 0.0025 -0.0189 587 ALA 79 N 0.0011 0.0013 -0.0110 588 ALA 79 CA 0.0010 0.0001 -0.0098 589 ALA 79 C 0.0007 -0.0006 -0.0083 590 ALA 79 O 0.0009 -0.0021 -0.0078 591 ALA 79 CB 0.0006 0.0008 -0.0091 592 LEU 80 N 0.0003 0.0006 -0.0078 593 LEU 80 CA -0.0001 0.0004 -0.0064 594 LEU 80 C 0.0002 -0.0001 -0.0072 595 LEU 80 O -0.0001 0.0001 -0.0062 596 LEU 80 CB -0.0008 0.0018 -0.0052 597 LEU 80 CG -0.0012 0.0021 -0.0044 598 LEU 80 CD1 -0.0018 0.0036 -0.0035 599 LEU 80 CD2 -0.0011 0.0004 -0.0032 600 SER 81 N 0.0008 -0.0003 -0.0089 601 SER 81 CA 0.0009 -0.0001 -0.0094 602 SER 81 C 0.0011 -0.0016 -0.0086 603 SER 81 O 0.0008 -0.0012 -0.0082 604 SER 81 CB 0.0019 -0.0011 -0.0115 605 SER 81 OG 0.0019 -0.0005 -0.0121 606 ALA 82 N -0.0002 -0.0035 -0.0074 607 ALA 82 CA -0.0004 -0.0049 -0.0066 608 ALA 82 C -0.0003 -0.0045 -0.0050 609 ALA 82 O -0.0004 -0.0051 -0.0039 610 ALA 82 CB -0.0006 -0.0061 -0.0068 611 LEU 83 N -0.0002 -0.0035 -0.0044 612 LEU 83 CA -0.0001 -0.0032 -0.0026 613 LEU 83 C 0.0000 -0.0021 -0.0023 614 LEU 83 O 0.0000 -0.0022 -0.0009 615 LEU 83 CB 0.0000 -0.0022 -0.0024 616 LEU 83 CG -0.0000 -0.0025 -0.0014 617 LEU 83 CD1 -0.0003 -0.0043 -0.0013 618 LEU 83 CD2 0.0000 -0.0022 -0.0018 619 SER 84 N 0.0002 -0.0011 -0.0032 620 SER 84 CA 0.0003 -0.0003 -0.0028 621 SER 84 C 0.0001 -0.0013 -0.0026 622 SER 84 O 0.0002 -0.0010 -0.0016 623 SER 84 CB 0.0005 0.0012 -0.0040 624 SER 84 OG 0.0004 0.0009 -0.0051 625 ASP 85 N 0.0009 -0.0030 -0.0029 626 ASP 85 CA 0.0013 -0.0040 -0.0034 627 ASP 85 C 0.0017 -0.0047 -0.0023 628 ASP 85 O 0.0018 -0.0047 -0.0021 629 ASP 85 CB 0.0017 -0.0049 -0.0042 630 ASP 85 CG 0.0013 -0.0042 -0.0056 631 ASP 85 OD1 0.0011 -0.0039 -0.0060 632 ASP 85 OD2 0.0017 -0.0051 -0.0065 633 LEU 86 N 0.0019 -0.0049 -0.0012 634 LEU 86 CA 0.0023 -0.0055 -0.0001 635 LEU 86 C 0.0020 -0.0049 0.0007 636 LEU 86 O 0.0023 -0.0053 0.0012 637 LEU 86 CB 0.0025 -0.0058 0.0007 638 LEU 86 CG 0.0028 -0.0063 0.0018 639 LEU 86 CD1 0.0034 -0.0077 0.0017 640 LEU 86 CD2 0.0030 -0.0065 0.0031 641 HIS 87 N 0.0014 -0.0036 0.0008 642 HIS 87 CA 0.0012 -0.0030 0.0018 643 HIS 87 C 0.0010 -0.0027 0.0009 644 HIS 87 O 0.0010 -0.0027 0.0015 645 HIS 87 CB 0.0006 -0.0017 0.0022 646 HIS 87 CG 0.0008 -0.0020 0.0034 647 HIS 87 ND1 0.0009 -0.0023 0.0031 648 HIS 87 CD2 0.0008 -0.0018 0.0047 649 HIS 87 CE1 0.0011 -0.0025 0.0043 650 HIS 87 NE2 0.0010 -0.0021 0.0053 651 ALA 88 N 0.0007 -0.0024 0.0003 652 ALA 88 CA 0.0004 -0.0022 -0.0010 653 ALA 88 C 0.0014 -0.0028 -0.0016 654 ALA 88 O 0.0011 -0.0026 -0.0022 655 ALA 88 CB -0.0002 -0.0019 -0.0018 656 HIS 89 N 0.0023 -0.0032 -0.0015 657 HIS 89 CA 0.0032 -0.0037 -0.0022 658 HIS 89 C 0.0040 -0.0042 -0.0017 659 HIS 89 O 0.0046 -0.0045 -0.0022 660 HIS 89 CB 0.0038 -0.0040 -0.0028 661 HIS 89 CG 0.0031 -0.0036 -0.0036 662 HIS 89 ND1 0.0023 -0.0032 -0.0045 663 HIS 89 CD2 0.0028 -0.0035 -0.0037 664 HIS 89 CE1 0.0015 -0.0027 -0.0050 665 HIS 89 NE2 0.0020 -0.0030 -0.0045 666 LYS 90 N 0.0042 -0.0043 -0.0005 667 LYS 90 CA 0.0047 -0.0046 0.0002 668 LYS 90 C 0.0044 -0.0045 0.0011 669 LYS 90 O 0.0044 -0.0045 0.0009 670 LYS 90 CB 0.0056 -0.0051 0.0010 671 LYS 90 CG 0.0064 -0.0055 -0.0001 672 LYS 90 CD 0.0069 -0.0058 -0.0009 673 LYS 90 CE 0.0079 -0.0064 -0.0010 674 LYS 90 NZ 0.0082 -0.0065 -0.0028 675 LEU 91 N 0.0033 -0.0037 0.0022 676 LEU 91 CA 0.0024 -0.0036 0.0035 677 LEU 91 C 0.0011 -0.0025 0.0030 678 LEU 91 O 0.0007 -0.0024 0.0035 679 LEU 91 CB 0.0018 -0.0038 0.0049 680 LEU 91 CG 0.0029 -0.0049 0.0056 681 LEU 91 CD1 0.0025 -0.0051 0.0065 682 LEU 91 CD2 0.0036 -0.0057 0.0061 683 ARG 92 N 0.0006 -0.0018 0.0022 684 ARG 92 CA -0.0005 -0.0006 0.0014 685 ARG 92 C -0.0017 -0.0003 0.0024 686 ARG 92 O -0.0024 0.0003 0.0023 687 ARG 92 CB 0.0002 -0.0006 0.0001 688 ARG 92 CG 0.0011 -0.0006 -0.0012 689 ARG 92 CD 0.0028 -0.0016 -0.0017 690 ARG 92 NE 0.0021 -0.0007 -0.0025 691 ARG 92 CZ 0.0041 -0.0017 -0.0033 692 ARG 92 NH1 0.0043 -0.0026 -0.0018 693 ARG 92 NH2 0.0038 -0.0012 -0.0042 694 VAL 93 N -0.0023 -0.0004 0.0035 695 VAL 93 CA -0.0035 -0.0000 0.0047 696 VAL 93 C -0.0046 0.0010 0.0041 697 VAL 93 O -0.0048 0.0015 0.0034 698 VAL 93 CB -0.0036 -0.0006 0.0060 699 VAL 93 CG1 -0.0049 -0.0001 0.0071 700 VAL 93 CG2 -0.0023 -0.0018 0.0067 701 ASP 94 N -0.0030 0.0015 0.0059 702 ASP 94 CA -0.0029 0.0019 0.0059 703 ASP 94 C -0.0029 0.0025 0.0056 704 ASP 94 O -0.0028 0.0027 0.0057 705 ASP 94 CB -0.0026 0.0020 0.0064 706 ASP 94 CG -0.0026 0.0023 0.0064 707 ASP 94 OD1 -0.0026 0.0020 0.0065 708 ASP 94 OD2 -0.0025 0.0028 0.0063 709 PRO 95 N -0.0030 0.0028 0.0053 710 PRO 95 CA -0.0031 0.0033 0.0049 711 PRO 95 C -0.0028 0.0037 0.0053 712 PRO 95 O -0.0028 0.0041 0.0051 713 PRO 95 CB -0.0031 0.0035 0.0047 714 PRO 95 CG -0.0033 0.0030 0.0045 715 PRO 95 CD -0.0032 0.0026 0.0050 716 VAL 96 N -0.0025 0.0037 0.0058 717 VAL 96 CA -0.0023 0.0042 0.0060 718 VAL 96 C -0.0022 0.0043 0.0061 719 VAL 96 O -0.0021 0.0047 0.0062 720 VAL 96 CB -0.0020 0.0041 0.0066 721 VAL 96 CG1 -0.0019 0.0038 0.0070 722 VAL 96 CG2 -0.0019 0.0045 0.0067 723 ASN 97 N 0.0008 0.0037 0.0080 724 ASN 97 CA 0.0003 0.0037 0.0069 725 ASN 97 C 0.0002 0.0039 0.0053 726 ASN 97 O 0.0003 0.0040 0.0044 727 ASN 97 CB -0.0013 0.0032 0.0072 728 ASN 97 CG -0.0013 0.0030 0.0086 729 ASN 97 OD1 -0.0010 0.0031 0.0087 730 ASN 97 ND2 -0.0016 0.0028 0.0098 731 PHE 98 N 0.0004 0.0039 0.0051 732 PHE 98 CA 0.0005 0.0041 0.0038 733 PHE 98 C 0.0019 0.0046 0.0030 734 PHE 98 O 0.0019 0.0048 0.0016 735 PHE 98 CB 0.0004 0.0041 0.0036 736 PHE 98 CG -0.0010 0.0037 0.0041 737 PHE 98 CD1 -0.0018 0.0036 0.0029 738 PHE 98 CD2 -0.0014 0.0034 0.0055 739 PHE 98 CE1 -0.0030 0.0032 0.0032 740 PHE 98 CE2 -0.0029 0.0029 0.0057 741 PHE 98 CZ -0.0035 0.0029 0.0045 742 LYS 99 N 0.0031 0.0049 0.0038 743 LYS 99 CA 0.0043 0.0053 0.0033 744 LYS 99 C 0.0043 0.0053 0.0030 745 LYS 99 O 0.0048 0.0056 0.0018 746 LYS 99 CB 0.0055 0.0055 0.0045 747 LYS 99 CG 0.0056 0.0055 0.0051 748 LYS 99 CD 0.0065 0.0057 0.0055 749 LYS 99 CE 0.0068 0.0055 0.0075 750 LYS 99 NZ 0.0081 0.0059 0.0081 751 LEU 100 N 0.0057 0.0054 0.0015 752 LEU 100 CA 0.0056 0.0053 0.0015 753 LEU 100 C 0.0051 0.0052 0.0007 754 LEU 100 O 0.0054 0.0054 0.0003 755 LEU 100 CB 0.0053 0.0050 0.0024 756 LEU 100 CG 0.0056 0.0052 0.0032 757 LEU 100 CD1 0.0052 0.0048 0.0040 758 LEU 100 CD2 0.0064 0.0056 0.0033 759 LEU 101 N 0.0045 0.0048 0.0005 760 LEU 101 CA 0.0041 0.0047 -0.0003 761 LEU 101 C 0.0045 0.0050 -0.0011 762 LEU 101 O 0.0046 0.0052 -0.0018 763 LEU 101 CB 0.0034 0.0043 -0.0004 764 LEU 101 CG 0.0029 0.0041 -0.0013 765 LEU 101 CD1 0.0027 0.0040 -0.0015 766 LEU 101 CD2 0.0022 0.0037 -0.0012 767 SER 102 N 0.0050 0.0053 -0.0011 768 SER 102 CA 0.0055 0.0057 -0.0018 769 SER 102 C 0.0061 0.0060 -0.0020 770 SER 102 O 0.0062 0.0062 -0.0027 771 SER 102 CB 0.0059 0.0059 -0.0016 772 SER 102 OG 0.0054 0.0056 -0.0017 773 HIS 103 N 0.0068 0.0023 -0.0035 774 HIS 103 CA 0.0072 0.0024 -0.0035 775 HIS 103 C 0.0073 0.0029 -0.0037 776 HIS 103 O 0.0075 0.0032 -0.0038 777 HIS 103 CB 0.0076 0.0022 -0.0035 778 HIS 103 CG 0.0080 0.0023 -0.0036 779 HIS 103 ND1 0.0084 0.0023 -0.0037 780 HIS 103 CD2 0.0081 0.0025 -0.0037 781 HIS 103 CE1 0.0086 0.0025 -0.0038 782 HIS 103 NE2 0.0085 0.0026 -0.0038 783 CYS 104 N 0.0074 0.0028 -0.0037 784 CYS 104 CA 0.0075 0.0032 -0.0038 785 CYS 104 C 0.0071 0.0036 -0.0038 786 CYS 104 O 0.0073 0.0039 -0.0040 787 CYS 104 CB 0.0076 0.0031 -0.0038 788 CYS 104 SG 0.0081 0.0027 -0.0037 789 LEU 105 N 0.0068 0.0035 -0.0038 790 LEU 105 CA 0.0065 0.0039 -0.0038 791 LEU 105 C 0.0065 0.0041 -0.0039 792 LEU 105 O 0.0065 0.0045 -0.0040 793 LEU 105 CB 0.0060 0.0037 -0.0037 794 LEU 105 CG 0.0058 0.0037 -0.0037 795 LEU 105 CD1 0.0054 0.0034 -0.0036 796 LEU 105 CD2 0.0057 0.0040 -0.0038 797 LEU 106 N 0.0054 0.0007 -0.0034 798 LEU 106 CA 0.0050 0.0005 -0.0032 799 LEU 106 C 0.0055 0.0007 -0.0035 800 LEU 106 O 0.0054 0.0012 -0.0030 801 LEU 106 CB 0.0045 -0.0007 -0.0034 802 LEU 106 CG 0.0038 -0.0012 -0.0030 803 LEU 106 CD1 0.0035 -0.0022 -0.0034 804 LEU 106 CD2 0.0032 -0.0008 -0.0020 805 VAL 107 N 0.0062 0.0007 -0.0043 806 VAL 107 CA 0.0068 0.0011 -0.0047 807 VAL 107 C 0.0071 0.0021 -0.0043 808 VAL 107 O 0.0072 0.0025 -0.0042 809 VAL 107 CB 0.0076 0.0008 -0.0056 810 VAL 107 CG1 0.0082 0.0013 -0.0060 811 VAL 107 CG2 0.0073 -0.0004 -0.0062 812 THR 108 N 0.0072 0.0027 -0.0040 813 THR 108 CA 0.0075 0.0038 -0.0036 814 THR 108 C 0.0069 0.0040 -0.0028 815 THR 108 O 0.0071 0.0047 -0.0026 816 THR 108 CB 0.0078 0.0042 -0.0036 817 THR 108 OG1 0.0084 0.0040 -0.0044 818 THR 108 CG2 0.0081 0.0052 -0.0033 819 LEU 109 N 0.0060 -0.0005 -0.0039 820 LEU 109 CA 0.0051 -0.0000 -0.0031 821 LEU 109 C 0.0043 0.0004 -0.0023 822 LEU 109 O 0.0042 0.0010 -0.0012 823 LEU 109 CB 0.0042 -0.0003 -0.0038 824 LEU 109 CG 0.0047 -0.0006 -0.0042 825 LEU 109 CD1 0.0040 -0.0010 -0.0051 826 LEU 109 CD2 0.0057 -0.0004 -0.0037 827 ALA 110 N 0.0039 0.0001 -0.0030 828 ALA 110 CA 0.0031 0.0005 -0.0023 829 ALA 110 C 0.0038 0.0009 -0.0014 830 ALA 110 O 0.0036 0.0015 -0.0003 831 ALA 110 CB 0.0027 0.0000 -0.0033 832 ALA 111 N 0.0052 0.0008 -0.0014 833 ALA 111 CA 0.0062 0.0010 -0.0007 834 ALA 111 C 0.0065 0.0016 0.0005 835 ALA 111 O 0.0070 0.0020 0.0013 836 ALA 111 CB 0.0075 0.0007 -0.0012 837 HIS 112 N 0.0055 0.0034 -0.0057 838 HIS 112 CA 0.0059 0.0048 -0.0039 839 HIS 112 C 0.0037 0.0049 -0.0025 840 HIS 112 O 0.0043 0.0063 -0.0009 841 HIS 112 CB 0.0072 0.0051 -0.0043 842 HIS 112 CG 0.0094 0.0052 -0.0053 843 HIS 112 ND1 0.0106 0.0066 -0.0040 844 HIS 112 CD2 0.0104 0.0043 -0.0071 845 HIS 112 CE1 0.0128 0.0063 -0.0057 846 HIS 112 NE2 0.0126 0.0049 -0.0076 847 LEU 113 N 0.0019 0.0040 -0.0029 848 LEU 113 CA -0.0000 0.0043 -0.0013 849 LEU 113 C -0.0014 0.0038 -0.0012 850 LEU 113 O -0.0032 0.0028 -0.0016 851 LEU 113 CB -0.0014 0.0033 -0.0020 852 LEU 113 CG -0.0004 0.0038 -0.0019 853 LEU 113 CD1 -0.0018 0.0030 -0.0022 854 LEU 113 CD2 0.0010 0.0053 -0.0004 855 PRO 114 N -0.0009 0.0043 -0.0008 856 PRO 114 CA -0.0023 0.0037 -0.0009 857 PRO 114 C -0.0046 0.0039 0.0006 858 PRO 114 O -0.0060 0.0028 -0.0001 859 PRO 114 CB -0.0010 0.0050 0.0002 860 PRO 114 CG 0.0005 0.0063 0.0011 861 PRO 114 CD 0.0009 0.0056 -0.0001 862 ALA 115 N -0.0034 0.0046 -0.0003 863 ALA 115 CA -0.0041 0.0050 -0.0002 864 ALA 115 C -0.0050 0.0040 0.0001 865 ALA 115 O -0.0054 0.0038 0.0002 866 ALA 115 CB -0.0047 0.0061 -0.0003 867 GLU 116 N -0.0055 0.0034 0.0002 868 GLU 116 CA -0.0066 0.0026 0.0005 869 GLU 116 C -0.0062 0.0013 0.0007 870 GLU 116 O -0.0070 0.0006 0.0009 871 GLU 116 CB -0.0072 0.0027 0.0006 872 GLU 116 CG -0.0079 0.0038 0.0006 873 GLU 116 CD -0.0069 0.0046 0.0003 874 GLU 116 OE1 -0.0059 0.0045 0.0001 875 GLU 116 OE2 -0.0074 0.0058 0.0002 876 PHE 117 N -0.0052 0.0009 0.0006 877 PHE 117 CA -0.0047 -0.0003 0.0007 878 PHE 117 C -0.0044 -0.0008 0.0007 879 PHE 117 O -0.0034 -0.0012 0.0006 880 PHE 117 CB -0.0037 -0.0007 0.0006 881 PHE 117 CG -0.0035 -0.0020 0.0007 882 PHE 117 CD1 -0.0043 -0.0025 0.0009 883 PHE 117 CD2 -0.0025 -0.0026 0.0007 884 PHE 117 CE1 -0.0041 -0.0037 0.0011 885 PHE 117 CE2 -0.0024 -0.0040 0.0008 886 PHE 117 CZ -0.0032 -0.0044 0.0010 887 THR 118 N -0.0073 -0.0043 0.0037 888 THR 118 CA -0.0072 -0.0041 0.0037 889 THR 118 C -0.0072 -0.0041 0.0037 890 THR 118 O -0.0073 -0.0042 0.0037 891 THR 118 CB -0.0073 -0.0041 0.0035 892 THR 118 OG1 -0.0073 -0.0041 0.0034 893 THR 118 CG2 -0.0073 -0.0041 0.0035 894 PRO 119 N -0.0072 -0.0040 0.0037 895 PRO 119 CA -0.0072 -0.0040 0.0037 896 PRO 119 C -0.0073 -0.0040 0.0036 897 PRO 119 O -0.0073 -0.0041 0.0035 898 PRO 119 CB -0.0072 -0.0038 0.0037 899 PRO 119 CG -0.0072 -0.0037 0.0038 900 PRO 119 CD -0.0072 -0.0039 0.0038 901 ALA 120 N -0.0073 -0.0040 0.0034 902 ALA 120 CA -0.0073 -0.0040 0.0033 903 ALA 120 C -0.0073 -0.0042 0.0032 904 ALA 120 O -0.0073 -0.0043 0.0032 905 ALA 120 CB -0.0073 -0.0039 0.0031 906 VAL 121 N -0.0054 -0.0053 0.0016 907 VAL 121 CA -0.0059 -0.0053 0.0017 908 VAL 121 C -0.0063 -0.0051 0.0021 909 VAL 121 O -0.0065 -0.0049 0.0024 910 VAL 121 CB -0.0063 -0.0055 0.0012 911 VAL 121 CG1 -0.0069 -0.0055 0.0012 912 VAL 121 CG2 -0.0060 -0.0057 0.0008 913 HIS 122 N -0.0063 -0.0050 0.0022 914 HIS 122 CA -0.0066 -0.0048 0.0026 915 HIS 122 C -0.0064 -0.0046 0.0031 916 HIS 122 O -0.0067 -0.0044 0.0034 917 HIS 122 CB -0.0065 -0.0049 0.0025 918 HIS 122 CG -0.0067 -0.0047 0.0029 919 HIS 122 ND1 -0.0067 -0.0047 0.0028 920 HIS 122 CD2 -0.0070 -0.0045 0.0033 921 HIS 122 CE1 -0.0070 -0.0045 0.0033 922 HIS 122 NE2 -0.0071 -0.0043 0.0036 923 ALA 123 N -0.0058 -0.0046 0.0031 924 ALA 123 CA -0.0055 -0.0044 0.0035 925 ALA 123 C -0.0057 -0.0043 0.0037 926 ALA 123 O -0.0058 -0.0041 0.0041 927 ALA 123 CB -0.0049 -0.0044 0.0035 928 SER 124 N -0.0023 -0.0054 0.0015 929 SER 124 CA -0.0022 -0.0050 0.0021 930 SER 124 C -0.0034 -0.0041 0.0022 931 SER 124 O -0.0035 -0.0034 0.0030 932 SER 124 CB -0.0019 -0.0055 0.0017 933 SER 124 OG -0.0008 -0.0062 0.0018 934 LEU 125 N -0.0042 -0.0043 0.0013 935 LEU 125 CA -0.0053 -0.0035 0.0014 936 LEU 125 C -0.0056 -0.0028 0.0020 937 LEU 125 O -0.0062 -0.0020 0.0025 938 LEU 125 CB -0.0061 -0.0038 0.0003 939 LEU 125 CG -0.0063 -0.0044 -0.0005 940 LEU 125 CD1 -0.0069 -0.0048 -0.0015 941 LEU 125 CD2 -0.0066 -0.0038 -0.0001 942 ASP 126 N -0.0053 -0.0029 0.0020 943 ASP 126 CA -0.0055 -0.0023 0.0026 944 ASP 126 C -0.0051 -0.0018 0.0037 945 ASP 126 O -0.0054 -0.0009 0.0044 946 ASP 126 CB -0.0052 -0.0027 0.0024 947 ASP 126 CG -0.0056 -0.0021 0.0029 948 ASP 126 OD1 -0.0065 -0.0015 0.0028 949 ASP 126 OD2 -0.0050 -0.0019 0.0035 950 LYS 127 N -0.0016 0.0001 0.0016 951 LYS 127 CA -0.0014 0.0003 0.0025 952 LYS 127 C -0.0019 0.0010 0.0027 953 LYS 127 O -0.0020 0.0014 0.0035 954 LYS 127 CB -0.0005 -0.0004 0.0027 955 LYS 127 CG -0.0003 -0.0004 0.0032 956 LYS 127 CD 0.0007 -0.0014 0.0032 957 LYS 127 CE 0.0009 -0.0012 0.0041 958 LYS 127 NZ 0.0017 -0.0018 0.0043 959 PHE 128 N -0.0021 0.0009 0.0023 960 PHE 128 CA -0.0027 0.0016 0.0025 961 PHE 128 C -0.0034 0.0022 0.0025 962 PHE 128 O -0.0036 0.0028 0.0032 963 PHE 128 CB -0.0029 0.0014 0.0018 964 PHE 128 CG -0.0035 0.0021 0.0019 965 PHE 128 CD1 -0.0034 0.0023 0.0027 966 PHE 128 CD2 -0.0041 0.0023 0.0013 967 PHE 128 CE1 -0.0040 0.0030 0.0027 968 PHE 128 CE2 -0.0048 0.0029 0.0011 969 PHE 128 CZ -0.0046 0.0031 0.0019 970 LEU 129 N -0.0036 0.0022 0.0019 971 LEU 129 CA -0.0043 0.0029 0.0019 972 LEU 129 C -0.0042 0.0031 0.0026 973 LEU 129 O -0.0046 0.0037 0.0030 974 LEU 129 CB -0.0047 0.0028 0.0010 975 LEU 129 CG -0.0050 0.0026 0.0001 976 LEU 129 CD1 -0.0051 0.0024 -0.0008 977 LEU 129 CD2 -0.0057 0.0034 0.0003 978 ALA 130 N -0.0038 0.0075 0.0035 979 ALA 130 CA -0.0036 0.0086 0.0034 980 ALA 130 C -0.0027 0.0088 0.0030 981 ALA 130 O -0.0025 0.0094 0.0029 982 ALA 130 CB -0.0036 0.0092 0.0034 983 SER 131 N -0.0019 0.0081 0.0027 984 SER 131 CA -0.0010 0.0083 0.0023 985 SER 131 C -0.0010 0.0078 0.0024 986 SER 131 O -0.0005 0.0084 0.0021 987 SER 131 CB -0.0002 0.0076 0.0020 988 SER 131 OG -0.0002 0.0081 0.0020 989 VAL 132 N -0.0015 0.0070 0.0025 990 VAL 132 CA -0.0015 0.0066 0.0025 991 VAL 132 C -0.0020 0.0074 0.0028 992 VAL 132 O -0.0016 0.0077 0.0026 993 VAL 132 CB -0.0020 0.0057 0.0028 994 VAL 132 CG1 -0.0023 0.0052 0.0029 995 VAL 132 CG2 -0.0015 0.0048 0.0026 996 SER 133 N -0.0020 0.0069 0.0018 997 SER 133 CA -0.0023 0.0072 0.0025 998 SER 133 C -0.0020 0.0080 0.0013 999 SER 133 O -0.0019 0.0073 0.0014 1000 SER 133 CB -0.0029 0.0082 0.0039 1001 SER 133 OG -0.0032 0.0075 0.0052 1002 THR 134 N -0.0017 0.0091 0.0003 1003 THR 134 CA -0.0014 0.0097 -0.0007 1004 THR 134 C -0.0009 0.0086 -0.0019 1005 THR 134 O -0.0007 0.0085 -0.0024 1006 THR 134 CB -0.0013 0.0112 -0.0014 1007 THR 134 OG1 -0.0016 0.0124 -0.0007 1008 THR 134 CG2 -0.0008 0.0119 -0.0030 1009 VAL 135 N -0.0006 0.0075 -0.0026 1010 VAL 135 CA -0.0001 0.0063 -0.0038 1011 VAL 135 C -0.0003 0.0049 -0.0028 1012 VAL 135 O -0.0000 0.0044 -0.0036 1013 VAL 135 CB 0.0002 0.0054 -0.0044 1014 VAL 135 CG1 0.0006 0.0038 -0.0052 1015 VAL 135 CG2 0.0004 0.0067 -0.0053 1016 LEU 136 N 0.0001 0.0031 -0.0013 1017 LEU 136 CA 0.0004 0.0020 -0.0008 1018 LEU 136 C 0.0004 0.0018 -0.0008 1019 LEU 136 O 0.0007 0.0007 -0.0006 1020 LEU 136 CB 0.0006 0.0018 0.0005 1021 LEU 136 CG 0.0007 0.0013 0.0005 1022 LEU 136 CD1 0.0008 0.0015 0.0018 1023 LEU 136 CD2 0.0008 0.0005 -0.0004 1024 THR 137 N 0.0002 0.0028 -0.0008 1025 THR 137 CA 0.0002 0.0028 -0.0006 1026 THR 137 C 0.0001 0.0030 -0.0018 1027 THR 137 O 0.0001 0.0030 -0.0019 1028 THR 137 CB -0.0000 0.0044 0.0002 1029 THR 137 OG1 0.0003 0.0035 0.0014 1030 THR 137 CG2 -0.0001 0.0049 0.0002 1031 SER 138 N -0.0000 0.0030 -0.0028 1032 SER 138 CA -0.0002 0.0033 -0.0040 1033 SER 138 C -0.0001 0.0025 -0.0048 1034 SER 138 O -0.0003 0.0029 -0.0053 1035 SER 138 CB -0.0003 0.0030 -0.0053 1036 SER 138 OG -0.0005 0.0040 -0.0049 1037 LYS 139 N -0.0000 -0.0002 -0.0014 1038 LYS 139 CA -0.0005 -0.0004 -0.0010 1039 LYS 139 C -0.0006 -0.0005 -0.0004 1040 LYS 139 O -0.0010 -0.0006 -0.0002 1041 LYS 139 CB -0.0010 -0.0007 -0.0014 1042 LYS 139 CG -0.0008 -0.0006 -0.0020 1043 LYS 139 CD -0.0013 -0.0008 -0.0025 1044 LYS 139 CE -0.0012 -0.0008 -0.0030 1045 LYS 139 NZ -0.0019 -0.0011 -0.0035 1046 TYR 140 N -0.0003 -0.0003 -0.0002 1047 TYR 140 CA -0.0004 -0.0004 0.0004 1048 TYR 140 C -0.0004 -0.0003 0.0010 1049 TYR 140 O -0.0008 -0.0005 0.0014 1050 TYR 140 CB -0.0001 -0.0002 0.0005 1051 TYR 140 CG -0.0004 -0.0003 0.0002 1052 TYR 140 CD1 -0.0004 -0.0003 0.0005 1053 TYR 140 CD2 -0.0006 -0.0005 -0.0004 1054 TYR 140 CE1 -0.0006 -0.0005 0.0002 1055 TYR 140 CE2 -0.0008 -0.0005 -0.0007 1056 TYR 140 CZ -0.0008 -0.0005 -0.0003 1057 TYR 140 OH -0.0009 -0.0006 -0.0006 1058 ARG 141 N -0.0001 -0.0002 0.0010 1059 ARG 141 CA 0.0000 -0.0001 0.0016 1060 ARG 141 C 0.0003 -0.0000 0.0013 1061 ARG 141 O 0.0005 0.0001 0.0009 1062 ARG 141 CB 0.0002 -0.0000 0.0021 1063 ARG 141 CG 0.0010 0.0003 0.0019 1064 ARG 141 CD 0.0011 0.0004 0.0026 1065 ARG 141 NE 0.0017 0.0006 0.0023 1066 ARG 141 CZ 0.0021 0.0008 0.0028 1067 ARG 141 NH1 0.0020 0.0008 0.0034 1068 ARG 141 NH2 0.0026 0.0010 0.0026 1069 ARG 141 OXT 0.0002 -0.0000 0.0018 1070 VAL 1 N 0.0057 -0.0125 -0.0106 1071 VAL 1 CA 0.0042 -0.0129 -0.0102 1072 VAL 1 C 0.0051 -0.0118 -0.0108 1073 VAL 1 O 0.0073 -0.0125 -0.0108 1074 VAL 1 CB 0.0019 -0.0118 -0.0104 1075 VAL 1 CG1 0.0005 -0.0139 -0.0093 1076 VAL 1 CG2 0.0020 -0.0104 -0.0110 1077 HIS 2 N 0.0042 -0.0122 -0.0105 1078 HIS 2 CA 0.0049 -0.0110 -0.0111 1079 HIS 2 C 0.0034 -0.0092 -0.0117 1080 HIS 2 O 0.0016 -0.0091 -0.0114 1081 HIS 2 CB 0.0035 -0.0120 -0.0105 1082 HIS 2 CG 0.0033 -0.0118 -0.0106 1083 HIS 2 ND1 0.0011 -0.0111 -0.0106 1084 HIS 2 CD2 0.0057 -0.0113 -0.0111 1085 HIS 2 CE1 0.0026 -0.0100 -0.0112 1086 HIS 2 NE2 0.0047 -0.0095 -0.0117 1087 LEU 3 N 0.0042 -0.0082 -0.0122 1088 LEU 3 CA 0.0034 -0.0064 -0.0128 1089 LEU 3 C 0.0048 -0.0054 -0.0135 1090 LEU 3 O 0.0064 -0.0060 -0.0135 1091 LEU 3 CB 0.0038 -0.0053 -0.0134 1092 LEU 3 CG 0.0024 -0.0058 -0.0130 1093 LEU 3 CD1 0.0028 -0.0048 -0.0134 1094 LEU 3 CD2 0.0007 -0.0049 -0.0131 1095 THR 4 N 0.0038 -0.0080 -0.0204 1096 THR 4 CA 0.0033 -0.0094 -0.0174 1097 THR 4 C 0.0009 -0.0103 -0.0144 1098 THR 4 O -0.0001 -0.0108 -0.0130 1099 THR 4 CB 0.0081 -0.0104 -0.0175 1100 THR 4 OG1 0.0096 -0.0120 -0.0149 1101 THR 4 CG2 0.0116 -0.0097 -0.0205 1102 PRO 5 N 0.0006 -0.0116 -0.0115 1103 PRO 5 CA -0.0018 -0.0124 -0.0089 1104 PRO 5 C -0.0005 -0.0142 -0.0057 1105 PRO 5 O -0.0030 -0.0147 -0.0035 1106 PRO 5 CB -0.0030 -0.0133 -0.0064 1107 PRO 5 CG -0.0013 -0.0120 -0.0100 1108 PRO 5 CD 0.0006 -0.0108 -0.0133 1109 GLU 6 N 0.0037 -0.0149 -0.0063 1110 GLU 6 CA 0.0056 -0.0167 -0.0034 1111 GLU 6 C 0.0049 -0.0160 -0.0046 1112 GLU 6 O 0.0045 -0.0175 -0.0013 1113 GLU 6 CB 0.0107 -0.0176 -0.0039 1114 GLU 6 CG 0.0130 -0.0170 -0.0060 1115 GLU 6 CD 0.0125 -0.0157 -0.0087 1116 GLU 6 OE1 0.0093 -0.0165 -0.0055 1117 GLU 6 OE2 0.0115 -0.0143 -0.0110 1118 GLU 7 N 0.0030 -0.0118 -0.0066 1119 GLU 7 CA 0.0030 -0.0103 -0.0091 1120 GLU 7 C -0.0018 -0.0104 -0.0070 1121 GLU 7 O -0.0019 -0.0110 -0.0059 1122 GLU 7 CB 0.0040 -0.0090 -0.0118 1123 GLU 7 CG 0.0095 -0.0092 -0.0137 1124 GLU 7 CD 0.0098 -0.0070 -0.0176 1125 GLU 7 OE1 0.0135 -0.0073 -0.0188 1126 GLU 7 OE2 0.0076 -0.0050 -0.0203 1127 LYS 8 N -0.0050 -0.0091 -0.0079 1128 LYS 8 CA -0.0090 -0.0087 -0.0068 1129 LYS 8 C -0.0096 -0.0110 -0.0027 1130 LYS 8 O -0.0119 -0.0116 -0.0007 1131 LYS 8 CB -0.0123 -0.0071 -0.0082 1132 LYS 8 CG -0.0148 -0.0073 -0.0069 1133 LYS 8 CD -0.0201 -0.0062 -0.0065 1134 LYS 8 CE -0.0237 -0.0066 -0.0043 1135 LYS 8 NZ -0.0284 -0.0065 -0.0025 1136 SER 9 N -0.0086 -0.0129 0.0002 1137 SER 9 CA -0.0090 -0.0146 0.0033 1138 SER 9 C -0.0066 -0.0165 0.0056 1139 SER 9 O -0.0084 -0.0175 0.0079 1140 SER 9 CB -0.0091 -0.0165 0.0065 1141 SER 9 OG -0.0048 -0.0178 0.0070 1142 ALA 10 N -0.0062 -0.0117 0.0015 1143 ALA 10 CA -0.0044 -0.0130 0.0023 1144 ALA 10 C -0.0063 -0.0114 0.0009 1145 ALA 10 O -0.0063 -0.0126 0.0027 1146 ALA 10 CB -0.0007 -0.0126 -0.0001 1147 VAL 11 N -0.0080 -0.0089 -0.0019 1148 VAL 11 CA -0.0102 -0.0074 -0.0030 1149 VAL 11 C -0.0134 -0.0083 -0.0000 1150 VAL 11 O -0.0138 -0.0087 0.0007 1151 VAL 11 CB -0.0111 -0.0051 -0.0062 1152 VAL 11 CG1 -0.0141 -0.0034 -0.0072 1153 VAL 11 CG2 -0.0077 -0.0043 -0.0093 1154 THR 12 N -0.0155 -0.0082 0.0009 1155 THR 12 CA -0.0194 -0.0085 0.0033 1156 THR 12 C -0.0188 -0.0109 0.0067 1157 THR 12 O -0.0203 -0.0115 0.0083 1158 THR 12 CB -0.0220 -0.0081 0.0041 1159 THR 12 OG1 -0.0227 -0.0060 0.0012 1160 THR 12 CG2 -0.0217 -0.0091 0.0055 1161 ALA 13 N -0.0197 -0.0084 0.0067 1162 ALA 13 CA -0.0188 -0.0112 0.0080 1163 ALA 13 C -0.0166 -0.0123 0.0077 1164 ALA 13 O -0.0169 -0.0135 0.0085 1165 ALA 13 CB -0.0173 -0.0133 0.0085 1166 LEU 14 N -0.0136 -0.0111 0.0058 1167 LEU 14 CA -0.0117 -0.0114 0.0052 1168 LEU 14 C -0.0132 -0.0102 0.0051 1169 LEU 14 O -0.0124 -0.0109 0.0052 1170 LEU 14 CB -0.0085 -0.0101 0.0032 1171 LEU 14 CG -0.0056 -0.0112 0.0026 1172 LEU 14 CD1 -0.0047 -0.0141 0.0039 1173 LEU 14 CD2 -0.0036 -0.0087 0.0003 1174 TRP 15 N -0.0150 -0.0072 0.0041 1175 TRP 15 CA -0.0163 -0.0055 0.0037 1176 TRP 15 C -0.0186 -0.0073 0.0057 1177 TRP 15 O -0.0186 -0.0068 0.0054 1178 TRP 15 CB -0.0178 -0.0026 0.0026 1179 TRP 15 CG -0.0185 -0.0005 0.0017 1180 TRP 15 CD1 -0.0211 0.0005 0.0022 1181 TRP 15 CD2 -0.0161 0.0009 -0.0000 1182 TRP 15 NE1 -0.0209 0.0024 0.0010 1183 TRP 15 CE2 -0.0175 0.0026 -0.0005 1184 TRP 15 CE3 -0.0128 0.0007 -0.0013 1185 TRP 15 CZ2 -0.0157 0.0043 -0.0022 1186 TRP 15 CZ3 -0.0111 0.0025 -0.0030 1187 TRP 15 CH2 -0.0128 0.0043 -0.0033 1188 GLY 16 N -0.0241 -0.0101 0.0079 1189 GLY 16 CA -0.0260 -0.0121 0.0096 1190 GLY 16 C -0.0241 -0.0142 0.0093 1191 GLY 16 O -0.0252 -0.0152 0.0103 1192 LYS 17 N -0.0213 -0.0150 0.0082 1193 LYS 17 CA -0.0191 -0.0171 0.0079 1194 LYS 17 C -0.0173 -0.0154 0.0064 1195 LYS 17 O -0.0153 -0.0171 0.0059 1196 LYS 17 CB -0.0165 -0.0193 0.0073 1197 LYS 17 CG -0.0186 -0.0212 0.0090 1198 LYS 17 CD -0.0168 -0.0235 0.0089 1199 LYS 17 CE -0.0184 -0.0254 0.0104 1200 LYS 17 NZ -0.0154 -0.0278 0.0097 1201 VAL 18 N -0.0174 -0.0123 0.0053 1202 VAL 18 CA -0.0155 -0.0103 0.0036 1203 VAL 18 C -0.0167 -0.0096 0.0041 1204 VAL 18 O -0.0194 -0.0085 0.0050 1205 VAL 18 CB -0.0158 -0.0069 0.0027 1206 VAL 18 CG1 -0.0144 -0.0048 0.0012 1207 VAL 18 CG2 -0.0131 -0.0081 0.0017 1208 ASN 19 N -0.0156 -0.0083 -0.0043 1209 ASN 19 CA -0.0134 -0.0098 -0.0046 1210 ASN 19 C -0.0114 -0.0075 -0.0022 1211 ASN 19 O -0.0093 -0.0068 -0.0010 1212 ASN 19 CB -0.0106 -0.0123 -0.0054 1213 ASN 19 CG -0.0079 -0.0132 -0.0052 1214 ASN 19 OD1 -0.0074 -0.0125 -0.0045 1215 ASN 19 ND2 -0.0070 -0.0161 -0.0070 1216 VAL 20 N -0.0123 -0.0066 -0.0019 1217 VAL 20 CA -0.0113 -0.0039 0.0005 1218 VAL 20 C -0.0081 -0.0044 0.0012 1219 VAL 20 O -0.0058 -0.0029 0.0031 1220 VAL 20 CB -0.0133 -0.0031 0.0004 1221 VAL 20 CG1 -0.0119 -0.0005 0.0027 1222 VAL 20 CG2 -0.0168 -0.0019 0.0000 1223 ASP 21 N -0.0059 -0.0067 0.0003 1224 ASP 21 CA -0.0023 -0.0073 0.0011 1225 ASP 21 C -0.0009 -0.0078 0.0012 1226 ASP 21 O 0.0014 -0.0063 0.0031 1227 ASP 21 CB -0.0016 -0.0101 -0.0007 1228 ASP 21 CG -0.0024 -0.0101 -0.0010 1229 ASP 21 OD1 -0.0027 -0.0076 0.0007 1230 ASP 21 OD2 -0.0003 -0.0127 -0.0022 1231 GLU 22 N -0.0054 -0.0084 -0.0000 1232 GLU 22 CA -0.0039 -0.0089 -0.0000 1233 GLU 22 C -0.0040 -0.0069 0.0012 1234 GLU 22 O -0.0023 -0.0063 0.0018 1235 GLU 22 CB -0.0051 -0.0103 -0.0012 1236 GLU 22 CG -0.0044 -0.0106 -0.0012 1237 GLU 22 CD -0.0048 -0.0115 -0.0019 1238 GLU 22 OE1 -0.0077 -0.0115 -0.0024 1239 GLU 22 OE2 -0.0054 -0.0141 -0.0035 1240 VAL 23 N -0.0062 -0.0060 0.0012 1241 VAL 23 CA -0.0066 -0.0042 0.0022 1242 VAL 23 C -0.0053 -0.0025 0.0035 1243 VAL 23 O -0.0045 -0.0012 0.0045 1244 VAL 23 CB -0.0092 -0.0035 0.0021 1245 VAL 23 CG1 -0.0094 -0.0015 0.0033 1246 VAL 23 CG2 -0.0096 -0.0053 0.0009 1247 GLY 24 N -0.0054 -0.0025 0.0035 1248 GLY 24 CA -0.0042 -0.0011 0.0046 1249 GLY 24 C -0.0017 -0.0011 0.0051 1250 GLY 24 O -0.0006 0.0002 0.0061 1251 GLY 25 N -0.0019 -0.0029 0.0033 1252 GLY 25 CA -0.0016 -0.0029 0.0031 1253 GLY 25 C -0.0022 -0.0028 0.0033 1254 GLY 25 O -0.0021 -0.0028 0.0036 1255 GLU 26 N -0.0029 -0.0028 0.0029 1256 GLU 26 CA -0.0036 -0.0028 0.0029 1257 GLU 26 C -0.0038 -0.0027 0.0038 1258 GLU 26 O -0.0040 -0.0027 0.0041 1259 GLU 26 CB -0.0042 -0.0028 0.0023 1260 GLU 26 CG -0.0047 -0.0028 0.0020 1261 GLU 26 CD -0.0050 -0.0028 0.0017 1262 GLU 26 OE1 -0.0066 -0.0027 0.0017 1263 GLU 26 OE2 -0.0052 -0.0028 0.0012 1264 ALA 27 N -0.0040 -0.0027 0.0041 1265 ALA 27 CA -0.0044 -0.0026 0.0050 1266 ALA 27 C -0.0038 -0.0026 0.0056 1267 ALA 27 O -0.0040 -0.0025 0.0062 1268 ALA 27 CB -0.0046 -0.0025 0.0052 1269 LEU 28 N -0.0012 -0.0020 0.0094 1270 LEU 28 CA -0.0003 -0.0017 0.0098 1271 LEU 28 C -0.0007 -0.0017 0.0090 1272 LEU 28 O -0.0009 -0.0019 0.0093 1273 LEU 28 CB 0.0011 -0.0012 0.0104 1274 LEU 28 CG 0.0017 -0.0012 0.0113 1275 LEU 28 CD1 0.0014 -0.0018 0.0127 1276 LEU 28 CD2 0.0031 -0.0005 0.0113 1277 GLY 29 N -0.0008 -0.0013 0.0075 1278 GLY 29 CA -0.0011 -0.0011 0.0066 1279 GLY 29 C -0.0026 -0.0019 0.0065 1280 GLY 29 O -0.0028 -0.0020 0.0066 1281 ARG 30 N -0.0035 -0.0023 0.0066 1282 ARG 30 CA -0.0049 -0.0030 0.0065 1283 ARG 30 C -0.0050 -0.0035 0.0082 1284 ARG 30 O -0.0058 -0.0038 0.0080 1285 ARG 30 CB -0.0059 -0.0034 0.0063 1286 ARG 30 CG -0.0065 -0.0032 0.0047 1287 ARG 30 CD -0.0074 -0.0036 0.0047 1288 ARG 30 NE -0.0076 -0.0033 0.0033 1289 ARG 30 CZ -0.0085 -0.0034 0.0022 1290 ARG 30 NH1 -0.0096 -0.0040 0.0025 1291 ARG 30 NH2 -0.0087 -0.0031 0.0009 1292 LEU 31 N -0.0042 -0.0023 0.0084 1293 LEU 31 CA -0.0042 -0.0027 0.0093 1294 LEU 31 C -0.0042 -0.0029 0.0097 1295 LEU 31 O -0.0046 -0.0031 0.0105 1296 LEU 31 CB -0.0035 -0.0030 0.0095 1297 LEU 31 CG -0.0034 -0.0035 0.0105 1298 LEU 31 CD1 -0.0043 -0.0034 0.0108 1299 LEU 31 CD2 -0.0024 -0.0039 0.0106 1300 LEU 32 N -0.0035 -0.0030 0.0094 1301 LEU 32 CA -0.0032 -0.0033 0.0099 1302 LEU 32 C -0.0039 -0.0031 0.0099 1303 LEU 32 O -0.0040 -0.0033 0.0104 1304 LEU 32 CB -0.0023 -0.0034 0.0094 1305 LEU 32 CG -0.0015 -0.0038 0.0097 1306 LEU 32 CD1 -0.0013 -0.0040 0.0101 1307 LEU 32 CD2 -0.0006 -0.0038 0.0092 1308 VAL 33 N -0.0044 -0.0026 0.0092 1309 VAL 33 CA -0.0052 -0.0023 0.0091 1310 VAL 33 C -0.0061 -0.0023 0.0098 1311 VAL 33 O -0.0066 -0.0024 0.0101 1312 VAL 33 CB -0.0054 -0.0018 0.0081 1313 VAL 33 CG1 -0.0062 -0.0015 0.0080 1314 VAL 33 CG2 -0.0046 -0.0019 0.0076 1315 VAL 34 N -0.0043 -0.0007 0.0093 1316 VAL 34 CA -0.0045 -0.0008 0.0093 1317 VAL 34 C -0.0045 -0.0010 0.0095 1318 VAL 34 O -0.0047 -0.0011 0.0095 1319 VAL 34 CB -0.0043 -0.0007 0.0093 1320 VAL 34 CG1 -0.0045 -0.0008 0.0094 1321 VAL 34 CG2 -0.0043 -0.0005 0.0092 1322 TYR 35 N -0.0043 -0.0011 0.0095 1323 TYR 35 CA -0.0043 -0.0014 0.0096 1324 TYR 35 C -0.0043 -0.0014 0.0096 1325 TYR 35 O -0.0040 -0.0015 0.0096 1326 TYR 35 CB -0.0041 -0.0015 0.0096 1327 TYR 35 CG -0.0041 -0.0014 0.0096 1328 TYR 35 CD1 -0.0043 -0.0015 0.0097 1329 TYR 35 CD2 -0.0040 -0.0013 0.0095 1330 TYR 35 CE1 -0.0044 -0.0014 0.0096 1331 TYR 35 CE2 -0.0040 -0.0012 0.0095 1332 TYR 35 CZ -0.0042 -0.0013 0.0096 1333 TYR 35 OH -0.0043 -0.0012 0.0095 1334 PRO 36 N -0.0044 -0.0014 0.0096 1335 PRO 36 CA -0.0044 -0.0014 0.0096 1336 PRO 36 C -0.0043 -0.0016 0.0097 1337 PRO 36 O -0.0042 -0.0016 0.0097 1338 PRO 36 CB -0.0046 -0.0013 0.0096 1339 PRO 36 CG -0.0048 -0.0013 0.0096 1340 PRO 36 CD -0.0047 -0.0013 0.0096 1341 TRP 37 N -0.0029 -0.0009 0.0116 1342 TRP 37 CA -0.0028 -0.0011 0.0116 1343 TRP 37 C -0.0026 -0.0011 0.0116 1344 TRP 37 O -0.0026 -0.0012 0.0116 1345 TRP 37 CB -0.0029 -0.0013 0.0116 1346 TRP 37 CG -0.0028 -0.0013 0.0116 1347 TRP 37 CD1 -0.0026 -0.0014 0.0116 1348 TRP 37 CD2 -0.0028 -0.0012 0.0116 1349 TRP 37 NE1 -0.0026 -0.0013 0.0116 1350 TRP 37 CE2 -0.0027 -0.0012 0.0116 1351 TRP 37 CE3 -0.0030 -0.0011 0.0116 1352 TRP 37 CZ2 -0.0027 -0.0012 0.0116 1353 TRP 37 CZ3 -0.0030 -0.0010 0.0116 1354 TRP 37 CH2 -0.0029 -0.0011 0.0116 1355 THR 38 N -0.0025 -0.0010 0.0116 1356 THR 38 CA -0.0023 -0.0009 0.0116 1357 THR 38 C -0.0023 -0.0009 0.0116 1358 THR 38 O -0.0021 -0.0008 0.0116 1359 THR 38 CB -0.0021 -0.0008 0.0116 1360 THR 38 OG1 -0.0022 -0.0006 0.0116 1361 THR 38 CG2 -0.0021 -0.0009 0.0116 1362 GLN 39 N -0.0025 -0.0008 0.0116 1363 GLN 39 CA -0.0025 -0.0007 0.0116 1364 GLN 39 C -0.0025 -0.0008 0.0116 1365 GLN 39 O -0.0025 -0.0008 0.0116 1366 GLN 39 CB -0.0027 -0.0006 0.0116 1367 GLN 39 CG -0.0027 -0.0004 0.0116 1368 GLN 39 CD -0.0029 -0.0003 0.0116 1369 GLN 39 OE1 -0.0030 -0.0003 0.0116 1370 GLN 39 NE2 -0.0030 -0.0001 0.0116 1371 ARG 40 N 0.0032 -0.0012 0.0128 1372 ARG 40 CA 0.0026 -0.0020 0.0121 1373 ARG 40 C 0.0024 -0.0024 0.0116 1374 ARG 40 O 0.0016 -0.0030 0.0115 1375 ARG 40 CB 0.0030 -0.0019 0.0113 1376 ARG 40 CG 0.0036 -0.0019 0.0105 1377 ARG 40 CD 0.0042 -0.0017 0.0098 1378 ARG 40 NE 0.0037 -0.0022 0.0095 1379 ARG 40 CZ 0.0033 -0.0029 0.0086 1380 ARG 40 NH1 0.0036 -0.0029 0.0081 1381 ARG 40 NH2 0.0029 -0.0033 0.0086 1382 PHE 41 N 0.0027 -0.0022 0.0114 1383 PHE 41 CA 0.0025 -0.0026 0.0107 1384 PHE 41 C 0.0019 -0.0028 0.0115 1385 PHE 41 O 0.0017 -0.0031 0.0111 1386 PHE 41 CB 0.0034 -0.0021 0.0103 1387 PHE 41 CG 0.0040 -0.0020 0.0096 1388 PHE 41 CD1 0.0047 -0.0013 0.0099 1389 PHE 41 CD2 0.0037 -0.0026 0.0086 1390 PHE 41 CE1 0.0052 -0.0012 0.0091 1391 PHE 41 CE2 0.0043 -0.0023 0.0080 1392 PHE 41 CZ 0.0050 -0.0016 0.0083 1393 PHE 42 N 0.0018 -0.0024 0.0124 1394 PHE 42 CA 0.0016 -0.0022 0.0132 1395 PHE 42 C 0.0008 -0.0025 0.0140 1396 PHE 42 O 0.0006 -0.0024 0.0148 1397 PHE 42 CB 0.0023 -0.0015 0.0137 1398 PHE 42 CG 0.0030 -0.0013 0.0130 1399 PHE 42 CD1 0.0039 -0.0006 0.0128 1400 PHE 42 CD2 0.0032 -0.0014 0.0124 1401 PHE 42 CE1 0.0045 -0.0004 0.0120 1402 PHE 42 CE2 0.0038 -0.0012 0.0117 1403 PHE 42 CZ 0.0047 -0.0005 0.0115 1404 GLU 43 N 0.0172 -0.0047 0.0143 1405 GLU 43 CA 0.0174 -0.0048 0.0144 1406 GLU 43 C 0.0178 -0.0051 0.0143 1407 GLU 43 O 0.0180 -0.0052 0.0141 1408 GLU 43 CB 0.0175 -0.0048 0.0148 1409 GLU 43 CG 0.0177 -0.0050 0.0151 1410 GLU 43 CD 0.0176 -0.0049 0.0157 1411 GLU 43 OE1 0.0175 -0.0048 0.0157 1412 GLU 43 OE2 0.0178 -0.0050 0.0157 1413 SER 44 N 0.0179 -0.0052 0.0140 1414 SER 44 CA 0.0182 -0.0054 0.0137 1415 SER 44 C 0.0181 -0.0053 0.0135 1416 SER 44 O 0.0183 -0.0055 0.0131 1417 SER 44 CB 0.0182 -0.0054 0.0137 1418 SER 44 OG 0.0181 -0.0054 0.0135 1419 PHE 45 N 0.0178 -0.0051 0.0133 1420 PHE 45 CA 0.0177 -0.0051 0.0129 1421 PHE 45 C 0.0177 -0.0051 0.0129 1422 PHE 45 O 0.0176 -0.0051 0.0126 1423 PHE 45 CB 0.0173 -0.0048 0.0129 1424 PHE 45 CG 0.0172 -0.0048 0.0127 1425 PHE 45 CD1 0.0169 -0.0046 0.0125 1426 PHE 45 CD2 0.0173 -0.0049 0.0127 1427 PHE 45 CE1 0.0168 -0.0045 0.0124 1428 PHE 45 CE2 0.0173 -0.0049 0.0126 1429 PHE 45 CZ 0.0170 -0.0047 0.0125 1430 GLY 46 N 0.0227 -0.0133 0.0163 1431 GLY 46 CA 0.0234 -0.0137 0.0150 1432 GLY 46 C 0.0200 -0.0121 0.0156 1433 GLY 46 O 0.0183 -0.0111 0.0193 1434 ASP 47 N 0.0195 -0.0120 0.0131 1435 ASP 47 CA 0.0170 -0.0107 0.0143 1436 ASP 47 C 0.0126 -0.0086 0.0130 1437 ASP 47 O 0.0119 -0.0084 0.0100 1438 ASP 47 CB 0.0176 -0.0112 0.0102 1439 ASP 47 CG 0.0166 -0.0106 0.0111 1440 ASP 47 OD1 0.0155 -0.0102 0.0083 1441 ASP 47 OD2 0.0136 -0.0091 0.0152 1442 LEU 48 N 0.0113 -0.0079 0.0172 1443 LEU 48 CA 0.0072 -0.0059 0.0180 1444 LEU 48 C 0.0051 -0.0048 0.0193 1445 LEU 48 O 0.0024 -0.0035 0.0208 1446 LEU 48 CB 0.0071 -0.0058 0.0200 1447 LEU 48 CG 0.0084 -0.0065 0.0180 1448 LEU 48 CD1 0.0083 -0.0063 0.0211 1449 LEU 48 CD2 0.0075 -0.0062 0.0145 1450 SER 49 N 0.0051 -0.0074 0.0221 1451 SER 49 CA 0.0002 -0.0072 0.0256 1452 SER 49 C -0.0021 -0.0050 0.0214 1453 SER 49 O -0.0084 -0.0045 0.0251 1454 SER 49 CB 0.0037 -0.0079 0.0248 1455 SER 49 OG 0.0047 -0.0058 0.0181 1456 THR 50 N -0.0047 -0.0029 0.0178 1457 THR 50 CA -0.0087 -0.0008 0.0151 1458 THR 50 C -0.0097 0.0007 0.0121 1459 THR 50 O -0.0051 -0.0004 0.0114 1460 THR 50 CB -0.0081 0.0002 0.0122 1461 THR 50 OG1 -0.0062 0.0016 0.0067 1462 THR 50 CG2 -0.0088 0.0001 0.0129 1463 PRO 51 N -0.0144 0.0028 0.0101 1464 PRO 51 CA -0.0150 0.0036 0.0082 1465 PRO 51 C -0.0115 0.0044 0.0033 1466 PRO 51 O -0.0077 0.0039 0.0016 1467 PRO 51 CB -0.0206 0.0058 0.0070 1468 PRO 51 CG -0.0234 0.0049 0.0117 1469 PRO 51 CD -0.0203 0.0037 0.0123 1470 ASP 52 N -0.0117 0.0062 -0.0001 1471 ASP 52 CA -0.0084 0.0072 -0.0046 1472 ASP 52 C -0.0030 0.0049 -0.0039 1473 ASP 52 O 0.0007 0.0049 -0.0067 1474 ASP 52 CB -0.0095 0.0087 -0.0068 1475 ASP 52 CG -0.0137 0.0124 -0.0111 1476 ASP 52 OD1 -0.0152 0.0130 -0.0111 1477 ASP 52 OD2 -0.0175 0.0130 -0.0094 1478 ALA 53 N -0.0019 0.0024 0.0002 1479 ALA 53 CA 0.0035 -0.0002 0.0013 1480 ALA 53 C 0.0059 -0.0013 0.0018 1481 ALA 53 O 0.0097 -0.0023 0.0009 1482 ALA 53 CB 0.0039 -0.0022 0.0053 1483 VAL 54 N 0.0021 -0.0013 0.0047 1484 VAL 54 CA 0.0030 -0.0021 0.0057 1485 VAL 54 C 0.0037 -0.0004 0.0017 1486 VAL 54 O 0.0077 -0.0013 0.0005 1487 VAL 54 CB -0.0016 -0.0025 0.0101 1488 VAL 54 CG1 -0.0006 -0.0029 0.0100 1489 VAL 54 CG2 -0.0027 -0.0043 0.0145 1490 MET 55 N 0.0020 0.0005 0.0006 1491 MET 55 CA 0.0023 0.0015 -0.0015 1492 MET 55 C 0.0060 0.0025 -0.0042 1493 MET 55 O 0.0070 0.0030 -0.0053 1494 MET 55 CB -0.0017 0.0030 -0.0039 1495 MET 55 CG -0.0056 0.0022 -0.0016 1496 MET 55 SD -0.0054 0.0007 0.0016 1497 MET 55 CE -0.0051 0.0019 -0.0009 1498 GLY 56 N 0.0070 0.0028 -0.0051 1499 GLY 56 CA 0.0107 0.0038 -0.0077 1500 GLY 56 C 0.0144 0.0025 -0.0057 1501 GLY 56 O 0.0180 0.0030 -0.0073 1502 ASN 57 N 0.0153 0.0008 -0.0024 1503 ASN 57 CA 0.0185 -0.0005 -0.0003 1504 ASN 57 C 0.0211 -0.0005 -0.0006 1505 ASN 57 O 0.0203 -0.0010 0.0004 1506 ASN 57 CB 0.0177 -0.0023 0.0035 1507 ASN 57 CG 0.0214 -0.0037 0.0059 1508 ASN 57 OD1 0.0240 -0.0040 0.0060 1509 ASN 57 ND2 0.0211 -0.0044 0.0074 1510 PRO 58 N 0.0230 0.0002 -0.0046 1511 PRO 58 CA 0.0244 0.0003 -0.0043 1512 PRO 58 C 0.0245 0.0002 -0.0004 1513 PRO 58 O 0.0240 0.0002 -0.0005 1514 PRO 58 CB 0.0285 0.0007 -0.0072 1515 PRO 58 CG 0.0287 0.0007 -0.0074 1516 PRO 58 CD 0.0266 0.0005 -0.0068 1517 LYS 59 N 0.0255 0.0002 0.0026 1518 LYS 59 CA 0.0261 0.0000 0.0070 1519 LYS 59 C 0.0217 -0.0003 0.0089 1520 LYS 59 O 0.0210 -0.0004 0.0106 1521 LYS 59 CB 0.0283 0.0001 0.0094 1522 LYS 59 CG 0.0329 0.0005 0.0090 1523 LYS 59 CD 0.0341 0.0006 0.0079 1524 LYS 59 CE 0.0408 0.0010 0.0077 1525 LYS 59 NZ 0.0412 0.0010 0.0095 1526 VAL 60 N 0.0192 -0.0004 0.0073 1527 VAL 60 CA 0.0148 -0.0008 0.0085 1528 VAL 60 C 0.0136 -0.0008 0.0073 1529 VAL 60 O 0.0113 -0.0010 0.0085 1530 VAL 60 CB 0.0120 -0.0010 0.0080 1531 VAL 60 CG1 0.0076 -0.0013 0.0077 1532 VAL 60 CG2 0.0133 -0.0009 0.0102 1533 LYS 61 N 0.0148 -0.0004 0.0033 1534 LYS 61 CA 0.0133 -0.0005 0.0012 1535 LYS 61 C 0.0155 -0.0004 0.0024 1536 LYS 61 O 0.0134 -0.0005 0.0038 1537 LYS 61 CB 0.0149 -0.0005 -0.0037 1538 LYS 61 CG 0.0127 -0.0006 -0.0056 1539 LYS 61 CD 0.0154 -0.0005 -0.0112 1540 LYS 61 CE 0.0106 -0.0008 -0.0136 1541 LYS 61 NZ 0.0134 -0.0007 -0.0183 1542 ALA 62 N 0.0195 -0.0002 0.0037 1543 ALA 62 CA 0.0214 -0.0001 0.0055 1544 ALA 62 C 0.0194 -0.0001 0.0101 1545 ALA 62 O 0.0193 -0.0001 0.0111 1546 ALA 62 CB 0.0263 0.0001 0.0061 1547 HIS 63 N 0.0196 -0.0001 0.0126 1548 HIS 63 CA 0.0173 -0.0001 0.0168 1549 HIS 63 C 0.0123 -0.0004 0.0164 1550 HIS 63 O 0.0114 -0.0004 0.0185 1551 HIS 63 CB 0.0175 -0.0001 0.0197 1552 HIS 63 CG 0.0168 -0.0001 0.0243 1553 HIS 63 ND1 0.0191 0.0000 0.0266 1554 HIS 63 CD2 0.0129 -0.0002 0.0270 1555 HIS 63 CE1 0.0167 -0.0000 0.0312 1556 HIS 63 NE2 0.0137 -0.0001 0.0311 1557 GLY 64 N 0.0096 0.0003 0.0144 1558 GLY 64 CA 0.0051 0.0009 0.0134 1559 GLY 64 C 0.0034 0.0008 0.0115 1560 GLY 64 O 0.0009 0.0014 0.0116 1561 LYS 65 N 0.0061 -0.0004 0.0087 1562 LYS 65 CA 0.0058 -0.0007 0.0070 1563 LYS 65 C 0.0059 -0.0002 0.0092 1564 LYS 65 O 0.0039 0.0000 0.0084 1565 LYS 65 CB 0.0088 -0.0023 0.0027 1566 LYS 65 CG 0.0103 -0.0024 0.0035 1567 LYS 65 CD 0.0139 -0.0047 -0.0028 1568 LYS 65 CE 0.0133 -0.0037 0.0007 1569 LYS 65 NZ 0.0198 -0.0059 -0.0031 1570 LYS 66 N 0.0085 -0.0001 0.0120 1571 LYS 66 CA 0.0089 0.0003 0.0138 1572 LYS 66 C 0.0054 0.0018 0.0173 1573 LYS 66 O 0.0040 0.0023 0.0180 1574 LYS 66 CB 0.0129 0.0002 0.0170 1575 LYS 66 CG 0.0139 0.0007 0.0200 1576 LYS 66 CD 0.0181 0.0004 0.0221 1577 LYS 66 CE 0.0196 -0.0004 0.0201 1578 LYS 66 NZ 0.0235 -0.0002 0.0240 1579 VAL 67 N 0.0027 0.0068 0.0127 1580 VAL 67 CA -0.0005 0.0096 0.0144 1581 VAL 67 C -0.0040 0.0096 0.0122 1582 VAL 67 O -0.0069 0.0112 0.0123 1583 VAL 67 CB 0.0012 0.0109 0.0170 1584 VAL 67 CG1 -0.0018 0.0131 0.0180 1585 VAL 67 CG2 0.0047 0.0109 0.0192 1586 LEU 68 N -0.0042 0.0079 0.0099 1587 LEU 68 CA -0.0079 0.0080 0.0077 1588 LEU 68 C -0.0098 0.0073 0.0056 1589 LEU 68 O -0.0134 0.0080 0.0043 1590 LEU 68 CB -0.0079 0.0067 0.0060 1591 LEU 68 CG -0.0104 0.0080 0.0061 1592 LEU 68 CD1 -0.0122 0.0062 0.0028 1593 LEU 68 CD2 -0.0111 0.0104 0.0087 1594 GLY 69 N -0.0078 0.0055 0.0045 1595 GLY 69 CA -0.0091 0.0048 0.0029 1596 GLY 69 C -0.0113 0.0070 0.0043 1597 GLY 69 O -0.0141 0.0077 0.0034 1598 ALA 70 N -0.0101 0.0177 -0.0003 1599 ALA 70 CA -0.0107 0.0182 0.0007 1600 ALA 70 C -0.0114 0.0170 0.0009 1601 ALA 70 O -0.0124 0.0168 0.0021 1602 ALA 70 CB -0.0100 0.0195 0.0005 1603 PHE 71 N -0.0109 0.0161 -0.0001 1604 PHE 71 CA -0.0116 0.0148 -0.0000 1605 PHE 71 C -0.0126 0.0137 0.0007 1606 PHE 71 O -0.0135 0.0134 0.0016 1607 PHE 71 CB -0.0108 0.0141 -0.0015 1608 PHE 71 CG -0.0114 0.0128 -0.0015 1609 PHE 71 CD1 -0.0113 0.0129 -0.0015 1610 PHE 71 CD2 -0.0119 0.0111 -0.0016 1611 PHE 71 CE1 -0.0118 0.0117 -0.0015 1612 PHE 71 CE2 -0.0123 0.0101 -0.0017 1613 PHE 71 CZ -0.0123 0.0103 -0.0017 1614 SER 72 N -0.0125 0.0134 0.0004 1615 SER 72 CA -0.0134 0.0123 0.0009 1616 SER 72 C -0.0143 0.0129 0.0024 1617 SER 72 O -0.0153 0.0121 0.0033 1618 SER 72 CB -0.0128 0.0119 -0.0000 1619 SER 72 OG -0.0135 0.0109 0.0002 1620 ASP 73 N -0.0082 0.0150 -0.0018 1621 ASP 73 CA -0.0071 0.0148 -0.0005 1622 ASP 73 C -0.0075 0.0137 0.0002 1623 ASP 73 O -0.0070 0.0131 0.0012 1624 ASP 73 CB -0.0062 0.0156 -0.0004 1625 ASP 73 CG -0.0056 0.0171 -0.0012 1626 ASP 73 OD1 -0.0058 0.0176 -0.0019 1627 ASP 73 OD2 -0.0051 0.0175 -0.0012 1628 GLY 74 N -0.0083 0.0128 0.0002 1629 GLY 74 CA -0.0088 0.0117 0.0008 1630 GLY 74 C -0.0093 0.0110 0.0010 1631 GLY 74 O -0.0095 0.0100 0.0017 1632 LEU 75 N -0.0098 0.0116 -0.0001 1633 LEU 75 CA -0.0104 0.0111 -0.0001 1634 LEU 75 C -0.0094 0.0112 0.0007 1635 LEU 75 O -0.0097 0.0105 0.0010 1636 LEU 75 CB -0.0109 0.0117 -0.0012 1637 LEU 75 CG -0.0117 0.0118 -0.0020 1638 LEU 75 CD1 -0.0124 0.0124 -0.0034 1639 LEU 75 CD2 -0.0128 0.0106 -0.0019 1640 ALA 76 N -0.0011 0.0123 -0.0037 1641 ALA 76 CA 0.0009 0.0121 -0.0015 1642 ALA 76 C 0.0023 0.0099 0.0018 1643 ALA 76 O 0.0033 0.0093 0.0035 1644 ALA 76 CB 0.0041 0.0150 -0.0010 1645 HIS 77 N 0.0005 0.0077 0.0022 1646 HIS 77 CA 0.0016 0.0055 0.0052 1647 HIS 77 C -0.0015 0.0026 0.0048 1648 HIS 77 O -0.0018 0.0009 0.0061 1649 HIS 77 CB 0.0025 0.0065 0.0052 1650 HIS 77 CG 0.0057 0.0098 0.0053 1651 HIS 77 ND1 0.0067 0.0130 0.0034 1652 HIS 77 CD2 0.0084 0.0091 0.0087 1653 HIS 77 CE1 0.0091 0.0139 0.0050 1654 HIS 77 NE2 0.0102 0.0123 0.0075 1655 LEU 78 N -0.0034 0.0017 0.0037 1656 LEU 78 CA -0.0064 -0.0007 0.0029 1657 LEU 78 C -0.0063 -0.0039 0.0061 1658 LEU 78 O -0.0077 -0.0056 0.0062 1659 LEU 78 CB -0.0084 -0.0014 0.0017 1660 LEU 78 CG -0.0100 0.0008 -0.0019 1661 LEU 78 CD1 -0.0109 0.0017 -0.0036 1662 LEU 78 CD2 -0.0116 0.0009 -0.0036 1663 ASP 79 N -0.0083 -0.0033 0.0082 1664 ASP 79 CA -0.0095 -0.0068 0.0149 1665 ASP 79 C -0.0063 -0.0063 0.0183 1666 ASP 79 O -0.0047 -0.0073 0.0229 1667 ASP 79 CB -0.0048 -0.0046 0.0164 1668 ASP 79 CG -0.0074 -0.0050 0.0137 1669 ASP 79 OD1 -0.0051 -0.0039 0.0144 1670 ASP 79 OD2 -0.0145 -0.0090 0.0130 1671 ASN 80 N -0.0019 -0.0026 0.0157 1672 ASN 80 CA 0.0033 -0.0014 0.0203 1673 ASN 80 C 0.0032 0.0010 0.0145 1674 ASN 80 O 0.0077 0.0035 0.0148 1675 ASN 80 CB 0.0082 0.0005 0.0225 1676 ASN 80 CG 0.0132 0.0011 0.0282 1677 ASN 80 OD1 0.0097 -0.0012 0.0291 1678 ASN 80 ND2 0.0178 0.0050 0.0256 1679 LEU 81 N -0.0016 -0.0010 0.0122 1680 LEU 81 CA 0.0004 0.0017 0.0087 1681 LEU 81 C 0.0038 0.0023 0.0122 1682 LEU 81 O 0.0067 0.0046 0.0107 1683 LEU 81 CB -0.0053 -0.0003 0.0052 1684 LEU 81 CG -0.0091 -0.0004 0.0002 1685 LEU 81 CD1 -0.0151 -0.0030 -0.0021 1686 LEU 81 CD2 -0.0064 0.0035 -0.0055 1687 LYS 82 N 0.0034 -0.0091 0.0184 1688 LYS 82 CA 0.0045 -0.0075 0.0186 1689 LYS 82 C 0.0086 -0.0034 0.0213 1690 LYS 82 O 0.0103 0.0005 0.0203 1691 LYS 82 CB 0.0035 -0.0139 0.0232 1692 LYS 82 CG -0.0010 -0.0179 0.0196 1693 LYS 82 CD -0.0022 -0.0245 0.0244 1694 LYS 82 CE -0.0011 -0.0234 0.0250 1695 LYS 82 NZ -0.0002 -0.0306 0.0338 1696 GLY 83 N 0.0117 -0.0027 0.0259 1697 GLY 83 CA 0.0166 0.0030 0.0284 1698 GLY 83 C 0.0174 0.0085 0.0243 1699 GLY 83 O 0.0206 0.0132 0.0250 1700 THR 84 N 0.0155 0.0086 0.0211 1701 THR 84 CA 0.0158 0.0139 0.0162 1702 THR 84 C 0.0155 0.0170 0.0125 1703 THR 84 O 0.0168 0.0217 0.0099 1704 THR 84 CB 0.0134 0.0136 0.0124 1705 THR 84 OG1 0.0153 0.0116 0.0177 1706 THR 84 CG2 0.0145 0.0185 0.0093 1707 PHE 85 N 0.0110 0.0114 0.0099 1708 PHE 85 CA 0.0077 0.0124 0.0056 1709 PHE 85 C 0.0093 0.0110 0.0084 1710 PHE 85 O 0.0064 0.0112 0.0052 1711 PHE 85 CB 0.0012 0.0103 0.0004 1712 PHE 85 CG 0.0002 0.0135 -0.0034 1713 PHE 85 CD1 -0.0020 0.0109 -0.0034 1714 PHE 85 CD2 0.0017 0.0198 -0.0072 1715 PHE 85 CE1 -0.0025 0.0152 -0.0076 1716 PHE 85 CE2 0.0000 0.0225 -0.0113 1717 PHE 85 CZ -0.0017 0.0210 -0.0117 1718 ALA 86 N 0.0127 0.0086 0.0141 1719 ALA 86 CA 0.0140 0.0064 0.0174 1720 ALA 86 C 0.0157 0.0107 0.0154 1721 ALA 86 O 0.0134 0.0096 0.0140 1722 ALA 86 CB 0.0184 0.0036 0.0244 1723 THR 87 N 0.0200 0.0164 0.0151 1724 THR 87 CA 0.0214 0.0206 0.0130 1725 THR 87 C 0.0171 0.0234 0.0061 1726 THR 87 O 0.0160 0.0237 0.0046 1727 THR 87 CB 0.0274 0.0292 0.0120 1728 THR 87 OG1 0.0312 0.0270 0.0179 1729 THR 87 CG2 0.0307 0.0317 0.0134 1730 LEU 88 N 0.0123 0.0218 0.0014 1731 LEU 88 CA 0.0077 0.0230 -0.0030 1732 LEU 88 C 0.0040 0.0180 -0.0050 1733 LEU 88 O 0.0005 0.0190 -0.0084 1734 LEU 88 CB 0.0070 0.0254 -0.0042 1735 LEU 88 CG 0.0097 0.0317 -0.0034 1736 LEU 88 CD1 0.0078 0.0323 -0.0054 1737 LEU 88 CD2 0.0068 0.0354 -0.0070 1738 SER 89 N 0.0050 0.0124 -0.0027 1739 SER 89 CA 0.0015 0.0072 -0.0044 1740 SER 89 C 0.0005 0.0071 -0.0053 1741 SER 89 O -0.0032 0.0067 -0.0086 1742 SER 89 CB 0.0038 0.0021 -0.0011 1743 SER 89 OG 0.0002 -0.0033 -0.0029 1744 GLU 90 N 0.0047 0.0076 -0.0017 1745 GLU 90 CA 0.0046 0.0090 -0.0021 1746 GLU 90 C 0.0022 0.0129 -0.0053 1747 GLU 90 O -0.0010 0.0119 -0.0079 1748 GLU 90 CB 0.0102 0.0090 0.0029 1749 GLU 90 CG 0.0113 0.0043 0.0051 1750 GLU 90 CD 0.0174 0.0032 0.0108 1751 GLU 90 OE1 0.0168 0.0045 0.0099 1752 GLU 90 OE2 0.0206 0.0053 0.0131 1753 LEU 91 N 0.0007 0.0118 -0.0036 1754 LEU 91 CA -0.0020 0.0147 -0.0048 1755 LEU 91 C -0.0046 0.0138 -0.0074 1756 LEU 91 O -0.0073 0.0146 -0.0094 1757 LEU 91 CB -0.0007 0.0179 -0.0023 1758 LEU 91 CG -0.0035 0.0210 -0.0034 1759 LEU 91 CD1 -0.0045 0.0228 -0.0035 1760 LEU 91 CD2 -0.0034 0.0237 -0.0022 1761 HIS 92 N -0.0033 0.0123 -0.0069 1762 HIS 92 CA -0.0059 0.0120 -0.0093 1763 HIS 92 C -0.0074 0.0085 -0.0121 1764 HIS 92 O -0.0101 0.0087 -0.0144 1765 HIS 92 CB -0.0044 0.0106 -0.0086 1766 HIS 92 CG -0.0045 0.0142 -0.0071 1767 HIS 92 ND1 -0.0017 0.0157 -0.0041 1768 HIS 92 CD2 -0.0060 0.0160 -0.0077 1769 HIS 92 CE1 -0.0026 0.0189 -0.0035 1770 HIS 92 NE2 -0.0049 0.0185 -0.0056 1771 CYS 93 N -0.0056 0.0058 -0.0116 1772 CYS 93 CA -0.0069 0.0032 -0.0140 1773 CYS 93 C -0.0090 0.0049 -0.0151 1774 CYS 93 O -0.0114 0.0045 -0.0173 1775 CYS 93 CB -0.0042 0.0000 -0.0130 1776 CYS 93 SG -0.0055 -0.0039 -0.0158 1777 ASP 94 N -0.0088 0.0062 -0.0159 1778 ASP 94 CA -0.0122 0.0066 -0.0186 1779 ASP 94 C -0.0151 0.0071 -0.0163 1780 ASP 94 O -0.0180 0.0074 -0.0182 1781 ASP 94 CB -0.0137 0.0067 -0.0192 1782 ASP 94 CG -0.0113 0.0062 -0.0220 1783 ASP 94 OD1 -0.0095 0.0059 -0.0236 1784 ASP 94 OD2 -0.0119 0.0064 -0.0210 1785 LYS 95 N -0.0158 0.0074 -0.0126 1786 LYS 95 CA -0.0186 0.0078 -0.0112 1787 LYS 95 C -0.0182 0.0079 -0.0090 1788 LYS 95 O -0.0197 0.0081 -0.0091 1789 LYS 95 CB -0.0206 0.0083 -0.0080 1790 LYS 95 CG -0.0223 0.0084 -0.0099 1791 LYS 95 CD -0.0254 0.0087 -0.0130 1792 LYS 95 CE -0.0276 0.0089 -0.0141 1793 LYS 95 NZ -0.0302 0.0092 -0.0170 1794 LEU 96 N -0.0145 0.0075 -0.0067 1795 LEU 96 CA -0.0133 0.0074 -0.0050 1796 LEU 96 C -0.0111 0.0070 -0.0069 1797 LEU 96 O -0.0110 0.0071 -0.0058 1798 LEU 96 CB -0.0118 0.0074 -0.0011 1799 LEU 96 CG -0.0135 0.0078 0.0015 1800 LEU 96 CD1 -0.0108 0.0076 0.0050 1801 LEU 96 CD2 -0.0173 0.0084 0.0028 1802 HIS 97 N -0.0038 0.0021 -0.0079 1803 HIS 97 CA -0.0035 0.0018 -0.0085 1804 HIS 97 C -0.0029 0.0017 -0.0081 1805 HIS 97 O -0.0029 0.0017 -0.0084 1806 HIS 97 CB -0.0042 0.0019 -0.0091 1807 HIS 97 CG -0.0049 0.0020 -0.0094 1808 HIS 97 ND1 -0.0047 0.0018 -0.0098 1809 HIS 97 CD2 -0.0055 0.0023 -0.0090 1810 HIS 97 CE1 -0.0053 0.0020 -0.0098 1811 HIS 97 NE2 -0.0059 0.0023 -0.0095 1812 VAL 98 N -0.0023 0.0017 -0.0076 1813 VAL 98 CA -0.0018 0.0017 -0.0072 1814 VAL 98 C -0.0010 0.0012 -0.0077 1815 VAL 98 O -0.0006 0.0011 -0.0076 1816 VAL 98 CB -0.0016 0.0018 -0.0063 1817 VAL 98 CG1 -0.0010 0.0018 -0.0059 1818 VAL 98 CG2 -0.0023 0.0022 -0.0058 1819 ASP 99 N -0.0008 0.0011 -0.0080 1820 ASP 99 CA -0.0001 0.0007 -0.0085 1821 ASP 99 C 0.0005 0.0007 -0.0078 1822 ASP 99 O 0.0006 0.0009 -0.0071 1823 ASP 99 CB -0.0001 0.0007 -0.0087 1824 ASP 99 CG 0.0007 0.0003 -0.0091 1825 ASP 99 OD1 0.0006 0.0002 -0.0094 1826 ASP 99 OD2 0.0012 0.0001 -0.0090 1827 PRO 100 N -0.0025 -0.0022 -0.0101 1828 PRO 100 CA -0.0018 -0.0016 -0.0102 1829 PRO 100 C -0.0005 -0.0007 -0.0090 1830 PRO 100 O -0.0002 -0.0004 -0.0087 1831 PRO 100 CB -0.0016 -0.0011 -0.0119 1832 PRO 100 CG -0.0023 -0.0015 -0.0128 1833 PRO 100 CD -0.0027 -0.0021 -0.0117 1834 GLU 101 N -0.0001 -0.0004 -0.0082 1835 GLU 101 CA 0.0010 0.0003 -0.0069 1836 GLU 101 C 0.0008 -0.0002 -0.0054 1837 GLU 101 O 0.0014 0.0002 -0.0047 1838 GLU 101 CB 0.0016 0.0008 -0.0064 1839 GLU 101 CG 0.0027 0.0015 -0.0050 1840 GLU 101 CD 0.0041 0.0030 -0.0062 1841 GLU 101 OE1 0.0038 0.0030 -0.0076 1842 GLU 101 OE2 0.0045 0.0031 -0.0047 1843 ASN 102 N -0.0005 -0.0015 -0.0051 1844 ASN 102 CA -0.0008 -0.0020 -0.0038 1845 ASN 102 C -0.0007 -0.0019 -0.0041 1846 ASN 102 O -0.0004 -0.0019 -0.0029 1847 ASN 102 CB -0.0023 -0.0034 -0.0037 1848 ASN 102 CG -0.0024 -0.0037 -0.0028 1849 ASN 102 OD1 -0.0021 -0.0037 -0.0017 1850 ASN 102 ND2 -0.0031 -0.0041 -0.0040 1851 PHE 103 N -0.0041 -0.0026 -0.0079 1852 PHE 103 CA -0.0039 -0.0024 -0.0083 1853 PHE 103 C -0.0025 -0.0013 -0.0076 1854 PHE 103 O -0.0022 -0.0011 -0.0071 1855 PHE 103 CB -0.0042 -0.0024 -0.0099 1856 PHE 103 CG -0.0056 -0.0034 -0.0107 1857 PHE 103 CD1 -0.0065 -0.0043 -0.0096 1858 PHE 103 CD2 -0.0058 -0.0033 -0.0121 1859 PHE 103 CE1 -0.0078 -0.0053 -0.0102 1860 PHE 103 CE2 -0.0071 -0.0043 -0.0127 1861 PHE 103 CZ -0.0080 -0.0052 -0.0116 1862 ARG 104 N -0.0017 -0.0006 -0.0079 1863 ARG 104 CA -0.0004 0.0005 -0.0075 1864 ARG 104 C -0.0000 0.0005 -0.0058 1865 ARG 104 O 0.0008 0.0010 -0.0050 1866 ARG 104 CB 0.0004 0.0012 -0.0083 1867 ARG 104 CG 0.0004 0.0015 -0.0100 1868 ARG 104 CD 0.0009 0.0021 -0.0113 1869 ARG 104 NE -0.0001 0.0015 -0.0129 1870 ARG 104 CZ 0.0015 0.0030 -0.0135 1871 ARG 104 NH1 0.0020 0.0032 -0.0127 1872 ARG 104 NH2 0.0020 0.0036 -0.0155 1873 LEU 105 N -0.0006 -0.0001 -0.0049 1874 LEU 105 CA -0.0005 -0.0003 -0.0032 1875 LEU 105 C -0.0010 -0.0008 -0.0025 1876 LEU 105 O -0.0003 -0.0005 -0.0014 1877 LEU 105 CB -0.0012 -0.0010 -0.0026 1878 LEU 105 CG -0.0006 -0.0005 -0.0029 1879 LEU 105 CD1 -0.0016 -0.0014 -0.0024 1880 LEU 105 CD2 0.0007 0.0005 -0.0021 1881 LEU 106 N -0.0018 0.0003 -0.0038 1882 LEU 106 CA -0.0023 -0.0004 -0.0033 1883 LEU 106 C -0.0024 -0.0007 -0.0030 1884 LEU 106 O -0.0023 -0.0014 -0.0026 1885 LEU 106 CB -0.0032 -0.0003 -0.0033 1886 LEU 106 CG -0.0038 -0.0009 -0.0027 1887 LEU 106 CD1 -0.0033 -0.0014 -0.0024 1888 LEU 106 CD2 -0.0046 -0.0006 -0.0028 1889 GLY 107 N -0.0025 -0.0004 -0.0033 1890 GLY 107 CA -0.0026 -0.0006 -0.0031 1891 GLY 107 C -0.0017 -0.0010 -0.0029 1892 GLY 107 O -0.0018 -0.0017 -0.0025 1893 ASN 108 N -0.0009 -0.0008 -0.0032 1894 ASN 108 CA -0.0002 -0.0013 -0.0030 1895 ASN 108 C -0.0000 -0.0020 -0.0025 1896 ASN 108 O 0.0003 -0.0025 -0.0021 1897 ASN 108 CB 0.0006 -0.0008 -0.0033 1898 ASN 108 CG 0.0006 -0.0002 -0.0038 1899 ASN 108 OD1 0.0001 -0.0005 -0.0035 1900 ASN 108 ND2 0.0011 0.0001 -0.0041 1901 VAL 109 N -0.0019 -0.0009 -0.0015 1902 VAL 109 CA -0.0020 -0.0015 -0.0003 1903 VAL 109 C -0.0025 -0.0018 -0.0003 1904 VAL 109 O -0.0022 -0.0021 0.0007 1905 VAL 109 CB -0.0028 -0.0022 -0.0001 1906 VAL 109 CG1 -0.0031 -0.0028 0.0010 1907 VAL 109 CG2 -0.0023 -0.0018 0.0001 1908 LEU 110 N -0.0032 -0.0019 -0.0012 1909 LEU 110 CA -0.0036 -0.0022 -0.0013 1910 LEU 110 C -0.0027 -0.0017 -0.0009 1911 LEU 110 O -0.0027 -0.0020 -0.0003 1912 LEU 110 CB -0.0044 -0.0023 -0.0024 1913 LEU 110 CG -0.0049 -0.0026 -0.0025 1914 LEU 110 CD1 -0.0053 -0.0034 -0.0015 1915 LEU 110 CD2 -0.0056 -0.0026 -0.0035 1916 VAL 111 N -0.0020 -0.0009 -0.0015 1917 VAL 111 CA -0.0010 -0.0003 -0.0013 1918 VAL 111 C -0.0006 -0.0005 -0.0001 1919 VAL 111 O -0.0002 -0.0005 0.0006 1920 VAL 111 CB -0.0004 0.0006 -0.0022 1921 VAL 111 CG1 0.0006 0.0011 -0.0018 1922 VAL 111 CG2 -0.0010 0.0007 -0.0033 1923 CYS 112 N -0.0009 -0.0009 -0.0024 1924 CYS 112 CA -0.0003 -0.0011 -0.0012 1925 CYS 112 C -0.0013 -0.0017 0.0001 1926 CYS 112 O -0.0005 -0.0019 0.0013 1927 CYS 112 CB -0.0003 -0.0012 -0.0012 1928 CYS 112 SG 0.0011 -0.0005 -0.0025 1929 VAL 113 N -0.0026 -0.0019 -0.0002 1930 VAL 113 CA -0.0035 -0.0024 0.0010 1931 VAL 113 C -0.0033 -0.0025 0.0014 1932 VAL 113 O -0.0031 -0.0029 0.0029 1933 VAL 113 CB -0.0052 -0.0027 0.0007 1934 VAL 113 CG1 -0.0061 -0.0032 0.0017 1935 VAL 113 CG2 -0.0056 -0.0028 0.0005 1936 LEU 114 N -0.0031 -0.0023 0.0007 1937 LEU 114 CA -0.0026 -0.0023 0.0012 1938 LEU 114 C -0.0012 -0.0023 0.0021 1939 LEU 114 O -0.0011 -0.0025 0.0031 1940 LEU 114 CB -0.0028 -0.0020 -0.0001 1941 LEU 114 CG -0.0043 -0.0021 -0.0008 1942 LEU 114 CD1 -0.0042 -0.0017 -0.0022 1943 LEU 114 CD2 -0.0053 -0.0026 0.0001 1944 ALA 115 N -0.0004 0.0003 -0.0005 1945 ALA 115 CA 0.0013 -0.0001 0.0002 1946 ALA 115 C 0.0011 -0.0005 0.0017 1947 ALA 115 O 0.0019 -0.0009 0.0029 1948 ALA 115 CB 0.0022 0.0002 -0.0012 1949 HIS 116 N 0.0001 -0.0004 0.0015 1950 HIS 116 CA 0.0001 -0.0008 0.0029 1951 HIS 116 C -0.0008 -0.0011 0.0042 1952 HIS 116 O -0.0004 -0.0016 0.0056 1953 HIS 116 CB -0.0009 -0.0005 0.0023 1954 HIS 116 CG -0.0010 -0.0008 0.0033 1955 HIS 116 ND1 -0.0027 -0.0009 0.0039 1956 HIS 116 CD2 0.0000 -0.0011 0.0041 1957 HIS 116 CE1 -0.0022 -0.0012 0.0048 1958 HIS 116 NE2 -0.0006 -0.0014 0.0052 1959 HIS 117 N -0.0022 -0.0010 0.0040 1960 HIS 117 CA -0.0030 -0.0012 0.0051 1961 HIS 117 C -0.0021 -0.0015 0.0060 1962 HIS 117 O -0.0024 -0.0019 0.0074 1963 HIS 117 CB -0.0047 -0.0009 0.0046 1964 HIS 117 CG -0.0061 -0.0010 0.0052 1965 HIS 117 ND1 -0.0058 -0.0007 0.0041 1966 HIS 117 CD2 -0.0076 -0.0013 0.0065 1967 HIS 117 CE1 -0.0078 -0.0007 0.0046 1968 HIS 117 NE2 -0.0088 -0.0007 0.0050 1969 PHE 118 N -0.0050 -0.0048 0.0132 1970 PHE 118 CA -0.0007 -0.0035 0.0134 1971 PHE 118 C 0.0031 -0.0018 0.0155 1972 PHE 118 O 0.0065 -0.0004 0.0169 1973 PHE 118 CB 0.0004 -0.0044 0.0092 1974 PHE 118 CG -0.0026 -0.0054 0.0087 1975 PHE 118 CD1 -0.0059 -0.0074 0.0052 1976 PHE 118 CD2 -0.0039 -0.0049 0.0119 1977 PHE 118 CE1 -0.0092 -0.0087 0.0041 1978 PHE 118 CE2 -0.0057 -0.0059 0.0101 1979 PHE 118 CZ -0.0099 -0.0077 0.0080 1980 GLY 119 N 0.0029 -0.0019 0.0153 1981 GLY 119 CA 0.0066 -0.0002 0.0175 1982 GLY 119 C 0.0111 0.0004 0.0150 1983 GLY 119 O 0.0120 -0.0007 0.0104 1984 LYS 120 N 0.0142 0.0020 0.0176 1985 LYS 120 CA 0.0194 0.0029 0.0156 1986 LYS 120 C 0.0206 0.0025 0.0130 1987 LYS 120 O 0.0244 0.0027 0.0101 1988 LYS 120 CB 0.0233 0.0053 0.0199 1989 LYS 120 CG 0.0231 0.0060 0.0225 1990 LYS 120 CD 0.0270 0.0084 0.0266 1991 LYS 120 CE 0.0259 0.0086 0.0285 1992 LYS 120 NZ 0.0287 0.0102 0.0312 1993 GLU 121 N 0.0129 -0.0017 0.0156 1994 GLU 121 CA 0.0118 -0.0017 0.0135 1995 GLU 121 C 0.0111 -0.0012 0.0093 1996 GLU 121 O 0.0110 -0.0008 0.0070 1997 GLU 121 CB 0.0083 -0.0029 0.0150 1998 GLU 121 CG 0.0081 -0.0029 0.0146 1999 GLU 121 CD 0.0031 -0.0044 0.0161 2000 GLU 121 OE1 0.0027 -0.0040 0.0131 2001 GLU 121 OE2 0.0043 -0.0046 0.0189 2002 PHE 122 N 0.0108 -0.0012 0.0088 2003 PHE 122 CA 0.0101 -0.0008 0.0050 2004 PHE 122 C 0.0139 0.0004 0.0037 2005 PHE 122 O 0.0150 0.0008 0.0035 2006 PHE 122 CB 0.0080 -0.0014 0.0053 2007 PHE 122 CG 0.0065 -0.0012 0.0017 2008 PHE 122 CD1 0.0041 -0.0015 0.0001 2009 PHE 122 CD2 0.0075 -0.0007 0.0002 2010 PHE 122 CE1 0.0024 -0.0015 -0.0032 2011 PHE 122 CE2 0.0061 -0.0005 -0.0033 2012 PHE 122 CZ 0.0037 -0.0009 -0.0048 2013 THR 123 N 0.0153 0.0009 0.0030 2014 THR 123 CA 0.0190 0.0021 0.0021 2015 THR 123 C 0.0192 0.0028 -0.0019 2016 THR 123 O 0.0168 0.0024 -0.0035 2017 THR 123 CB 0.0204 0.0025 0.0019 2018 THR 123 OG1 0.0188 0.0024 -0.0001 2019 THR 123 CG2 0.0207 0.0019 0.0057 2020 PRO 124 N 0.0161 0.0025 0.0011 2021 PRO 124 CA 0.0164 0.0023 -0.0010 2022 PRO 124 C 0.0164 0.0019 -0.0035 2023 PRO 124 O 0.0150 0.0007 -0.0050 2024 PRO 124 CB 0.0185 0.0038 -0.0009 2025 PRO 124 CG 0.0188 0.0045 0.0021 2026 PRO 124 CD 0.0180 0.0042 0.0031 2027 PRO 125 N 0.0171 0.0023 -0.0043 2028 PRO 125 CA 0.0170 0.0018 -0.0067 2029 PRO 125 C 0.0148 0.0002 -0.0070 2030 PRO 125 O 0.0140 -0.0008 -0.0091 2031 PRO 125 CB 0.0185 0.0027 -0.0072 2032 PRO 125 CG 0.0199 0.0041 -0.0055 2033 PRO 125 CD 0.0190 0.0038 -0.0031 2034 VAL 126 N 0.0138 -0.0002 -0.0050 2035 VAL 126 CA 0.0116 -0.0017 -0.0050 2036 VAL 126 C 0.0102 -0.0027 -0.0049 2037 VAL 126 O 0.0087 -0.0041 -0.0067 2038 VAL 126 CB 0.0110 -0.0018 -0.0023 2039 VAL 126 CG1 0.0087 -0.0034 -0.0025 2040 VAL 126 CG2 0.0119 -0.0011 -0.0025 2041 GLN 127 N 0.0107 -0.0022 -0.0027 2042 GLN 127 CA 0.0102 -0.0023 -0.0035 2043 GLN 127 C 0.0099 -0.0022 -0.0060 2044 GLN 127 O 0.0087 -0.0026 -0.0074 2045 GLN 127 CB 0.0113 -0.0019 -0.0022 2046 GLN 127 CG 0.0106 -0.0021 -0.0035 2047 GLN 127 CD 0.0121 -0.0016 -0.0024 2048 GLN 127 OE1 0.0135 -0.0010 -0.0008 2049 GLN 127 NE2 0.0116 -0.0017 -0.0033 2050 ALA 128 N 0.0119 -0.0011 -0.0072 2051 ALA 128 CA 0.0120 -0.0008 -0.0097 2052 ALA 128 C 0.0104 -0.0014 -0.0112 2053 ALA 128 O 0.0094 -0.0017 -0.0129 2054 ALA 128 CB 0.0144 0.0004 -0.0102 2055 ALA 129 N 0.0097 -0.0018 -0.0106 2056 ALA 129 CA 0.0081 -0.0024 -0.0117 2057 ALA 129 C 0.0058 -0.0035 -0.0112 2058 ALA 129 O 0.0047 -0.0039 -0.0133 2059 ALA 129 CB 0.0080 -0.0026 -0.0106 2060 TYR 130 N 0.0028 -0.0033 -0.0075 2061 TYR 130 CA 0.0008 -0.0039 -0.0077 2062 TYR 130 C 0.0005 -0.0041 -0.0090 2063 TYR 130 O -0.0009 -0.0046 -0.0098 2064 TYR 130 CB 0.0003 -0.0040 -0.0054 2065 TYR 130 CG -0.0007 -0.0042 -0.0044 2066 TYR 130 CD1 -0.0027 -0.0048 -0.0043 2067 TYR 130 CD2 0.0003 -0.0039 -0.0031 2068 TYR 130 CE1 -0.0034 -0.0050 -0.0034 2069 TYR 130 CE2 -0.0006 -0.0041 -0.0022 2070 TYR 130 CZ -0.0025 -0.0047 -0.0021 2071 TYR 130 OH -0.0034 -0.0049 -0.0013 2072 GLN 131 N 0.0020 -0.0036 -0.0093 2073 GLN 131 CA 0.0019 -0.0037 -0.0109 2074 GLN 131 C 0.0016 -0.0039 -0.0129 2075 GLN 131 O 0.0002 -0.0044 -0.0138 2076 GLN 131 CB 0.0037 -0.0032 -0.0110 2077 GLN 131 CG 0.0039 -0.0030 -0.0090 2078 GLN 131 CD 0.0028 -0.0034 -0.0088 2079 GLN 131 OE1 0.0032 -0.0032 -0.0072 2080 GLN 131 NE2 0.0017 -0.0037 -0.0100 2081 LYS 132 N 0.0025 -0.0037 -0.0134 2082 LYS 132 CA 0.0023 -0.0038 -0.0153 2083 LYS 132 C 0.0001 -0.0045 -0.0155 2084 LYS 132 O -0.0010 -0.0049 -0.0169 2085 LYS 132 CB 0.0033 -0.0035 -0.0157 2086 LYS 132 CG 0.0054 -0.0029 -0.0162 2087 LYS 132 CD 0.0065 -0.0025 -0.0165 2088 LYS 132 CE 0.0086 -0.0019 -0.0166 2089 LYS 132 NZ 0.0094 -0.0017 -0.0172 2090 VAL 133 N -0.0047 -0.0023 -0.0126 2091 VAL 133 CA -0.0059 -0.0019 -0.0123 2092 VAL 133 C -0.0072 -0.0017 -0.0130 2093 VAL 133 O -0.0081 -0.0017 -0.0137 2094 VAL 133 CB -0.0061 -0.0014 -0.0108 2095 VAL 133 CG1 -0.0073 -0.0009 -0.0105 2096 VAL 133 CG2 -0.0049 -0.0015 -0.0101 2097 VAL 134 N -0.0074 -0.0017 -0.0131 2098 VAL 134 CA -0.0084 -0.0015 -0.0136 2099 VAL 134 C -0.0085 -0.0020 -0.0151 2100 VAL 134 O -0.0096 -0.0019 -0.0159 2101 VAL 134 CB -0.0089 -0.0014 -0.0135 2102 VAL 134 CG1 -0.0090 -0.0008 -0.0120 2103 VAL 134 CG2 -0.0077 -0.0018 -0.0137 2104 ALA 135 N -0.0073 -0.0025 -0.0158 2105 ALA 135 CA -0.0073 -0.0030 -0.0173 2106 ALA 135 C -0.0077 -0.0030 -0.0176 2107 ALA 135 O -0.0084 -0.0031 -0.0187 2108 ALA 135 CB -0.0060 -0.0035 -0.0178 2109 GLY 136 N -0.0108 -0.0062 -0.0149 2110 GLY 136 CA -0.0094 -0.0059 -0.0132 2111 GLY 136 C -0.0093 -0.0041 -0.0136 2112 GLY 136 O -0.0088 -0.0041 -0.0130 2113 VAL 137 N -0.0095 -0.0023 -0.0144 2114 VAL 137 CA -0.0094 -0.0005 -0.0147 2115 VAL 137 C -0.0104 -0.0008 -0.0158 2116 VAL 137 O -0.0099 -0.0002 -0.0154 2117 VAL 137 CB -0.0097 0.0013 -0.0155 2118 VAL 137 CG1 -0.0096 0.0031 -0.0159 2119 VAL 137 CG2 -0.0086 0.0016 -0.0143 2120 ALA 138 N -0.0116 -0.0018 -0.0171 2121 ALA 138 CA -0.0125 -0.0023 -0.0181 2122 ALA 138 C -0.0120 -0.0033 -0.0172 2123 ALA 138 O -0.0121 -0.0032 -0.0173 2124 ALA 138 CB -0.0138 -0.0033 -0.0195 2125 ASN 139 N -0.0116 -0.0088 -0.0119 2126 ASN 139 CA -0.0106 -0.0111 -0.0095 2127 ASN 139 C -0.0077 -0.0099 -0.0071 2128 ASN 139 O -0.0073 -0.0104 -0.0064 2129 ASN 139 CB -0.0102 -0.0140 -0.0076 2130 ASN 139 CG -0.0114 -0.0151 -0.0082 2131 ASN 139 OD1 -0.0144 -0.0164 -0.0108 2132 ASN 139 ND2 -0.0136 -0.0180 -0.0090 2133 ALA 140 N -0.0061 -0.0072 -0.0069 2134 ALA 140 CA -0.0036 -0.0057 -0.0050 2135 ALA 140 C -0.0036 -0.0034 -0.0063 2136 ALA 140 O -0.0020 -0.0030 -0.0048 2137 ALA 140 CB -0.0017 -0.0035 -0.0043 2138 LEU 141 N -0.0050 -0.0017 -0.0088 2139 LEU 141 CA -0.0053 0.0003 -0.0103 2140 LEU 141 C -0.0060 -0.0016 -0.0099 2141 LEU 141 O -0.0059 -0.0004 -0.0105 2142 LEU 141 CB -0.0065 0.0027 -0.0129 2143 LEU 141 CG -0.0050 0.0058 -0.0130 2144 LEU 141 CD1 -0.0067 0.0077 -0.0159 2145 LEU 141 CD2 -0.0030 0.0083 -0.0122 2146 ALA 142 N -0.0070 -0.0068 -0.0110 2147 ALA 142 CA -0.0092 -0.0100 -0.0126 2148 ALA 142 C -0.0058 -0.0133 -0.0069 2149 ALA 142 O -0.0077 -0.0156 -0.0084 2150 ALA 142 CB -0.0131 -0.0150 -0.0155 2151 HIS 143 N -0.0029 -0.0132 -0.0032 2152 HIS 143 CA -0.0002 -0.0173 0.0019 2153 HIS 143 C 0.0010 -0.0157 0.0028 2154 HIS 143 O 0.0015 -0.0200 0.0051 2155 HIS 143 CB 0.0032 -0.0161 0.0057 2156 HIS 143 CG 0.0058 -0.0213 0.0111 2157 HIS 143 ND1 0.0098 -0.0155 0.0140 2158 HIS 143 CD2 0.0037 -0.0264 0.0105 2159 HIS 143 CE1 0.0102 -0.0240 0.0177 2160 HIS 143 NE2 0.0063 -0.0296 0.0150 2161 LYS 144 N 0.0018 -0.0101 0.0016 2162 LYS 144 CA 0.0036 -0.0087 0.0033 2163 LYS 144 C 0.0005 -0.0088 -0.0006 2164 LYS 144 O 0.0014 -0.0064 -0.0004 2165 LYS 144 CB 0.0066 -0.0025 0.0047 2166 LYS 144 CG 0.0107 -0.0034 0.0104 2167 LYS 144 CD 0.0136 -0.0050 0.0147 2168 LYS 144 CE 0.0188 -0.0059 0.0216 2169 LYS 144 NZ 0.0224 0.0026 0.0229 2170 TYR 145 N 0.0007 -0.0049 -0.0166 2171 TYR 145 CA -0.0009 -0.0054 -0.0177 2172 TYR 145 C -0.0012 -0.0072 -0.0202 2173 TYR 145 O 0.0011 -0.0080 -0.0204 2174 TYR 145 CB -0.0015 -0.0051 -0.0175 2175 TYR 145 CG -0.0027 -0.0034 -0.0156 2176 TYR 145 CD1 -0.0049 -0.0031 -0.0160 2177 TYR 145 CD2 -0.0015 -0.0024 -0.0139 2178 TYR 145 CE1 -0.0060 -0.0017 -0.0146 2179 TYR 145 CE2 -0.0030 -0.0006 -0.0121 2180 TYR 145 CZ -0.0052 -0.0003 -0.0124 2181 TYR 145 OH -0.0061 0.0011 -0.0108 2182 HIS 146 N -0.0027 -0.0075 -0.0212 2183 HIS 146 CA -0.0034 -0.0092 -0.0235 2184 HIS 146 C -0.0056 -0.0093 -0.0244 2185 HIS 146 O -0.0072 -0.0081 -0.0234 2186 HIS 146 CB -0.0027 -0.0094 -0.0237 2187 HIS 146 CG -0.0061 -0.0086 -0.0236 2188 HIS 146 ND1 -0.0057 -0.0087 -0.0237 2189 HIS 146 CD2 -0.0056 -0.0069 -0.0212 2190 HIS 146 CE1 -0.0078 -0.0073 -0.0224 2191 HIS 146 NE2 -0.0079 -0.0065 -0.0215 2192 HIS 146 OXT -0.0059 -0.0106 -0.0263 2193 VAL 1 N 0.0128 -0.0242 0.0377 2194 VAL 1 CA 0.0209 -0.0249 0.0416 2195 VAL 1 C 0.0231 -0.0187 0.0348 2196 VAL 1 O 0.0241 -0.0153 0.0311 2197 VAL 1 CB 0.0229 -0.0252 0.0425 2198 VAL 1 CG1 0.0319 -0.0234 0.0437 2199 VAL 1 CG2 0.0278 -0.0307 0.0509 2200 LEU 2 N 0.0216 -0.0178 0.0333 2201 LEU 2 CA 0.0210 -0.0137 0.0281 2202 LEU 2 C 0.0294 -0.0102 0.0269 2203 LEU 2 O 0.0310 -0.0127 0.0304 2204 LEU 2 CB 0.0175 -0.0140 0.0272 2205 LEU 2 CG 0.0094 -0.0146 0.0250 2206 LEU 2 CD1 0.0059 -0.0158 0.0251 2207 LEU 2 CD2 0.0073 -0.0129 0.0222 2208 SER 3 N 0.0321 -0.0072 0.0243 2209 SER 3 CA 0.0387 -0.0043 0.0231 2210 SER 3 C 0.0381 -0.0022 0.0204 2211 SER 3 O 0.0333 -0.0010 0.0172 2212 SER 3 CB 0.0406 -0.0018 0.0209 2213 SER 3 OG 0.0380 0.0019 0.0154 2214 PRO 4 N 0.0426 -0.0015 0.0302 2215 PRO 4 CA 0.0428 0.0007 0.0274 2216 PRO 4 C 0.0397 0.0050 0.0196 2217 PRO 4 O 0.0359 0.0052 0.0169 2218 PRO 4 CB 0.0514 0.0033 0.0290 2219 PRO 4 CG 0.0542 -0.0003 0.0357 2220 PRO 4 CD 0.0490 -0.0024 0.0355 2221 ALA 5 N 0.0417 0.0066 0.0185 2222 ALA 5 CA 0.0387 0.0104 0.0115 2223 ALA 5 C 0.0297 0.0078 0.0096 2224 ALA 5 O 0.0261 0.0098 0.0046 2225 ALA 5 CB 0.0412 0.0138 0.0083 2226 ASP 6 N 0.0277 0.0040 0.0136 2227 ASP 6 CA 0.0198 0.0010 0.0129 2228 ASP 6 C 0.0164 -0.0000 0.0122 2229 ASP 6 O 0.0102 -0.0001 0.0085 2230 ASP 6 CB 0.0177 -0.0039 0.0184 2231 ASP 6 CG 0.0193 -0.0028 0.0178 2232 ASP 6 OD1 0.0181 0.0009 0.0120 2233 ASP 6 OD2 0.0206 -0.0060 0.0230 2234 LYS 7 N 0.0155 -0.0044 0.0119 2235 LYS 7 CA 0.0144 -0.0035 0.0108 2236 LYS 7 C 0.0139 -0.0013 0.0085 2237 LYS 7 O 0.0116 -0.0000 0.0072 2238 LYS 7 CB 0.0166 -0.0053 0.0128 2239 LYS 7 CG 0.0167 -0.0079 0.0156 2240 LYS 7 CD 0.0177 -0.0100 0.0180 2241 LYS 7 CE 0.0198 -0.0115 0.0196 2242 LYS 7 NZ 0.0217 -0.0134 0.0215 2243 THR 8 N 0.0171 -0.0000 0.0071 2244 THR 8 CA 0.0170 0.0028 0.0040 2245 THR 8 C 0.0142 0.0042 0.0025 2246 THR 8 O 0.0126 0.0059 0.0007 2247 THR 8 CB 0.0216 0.0038 0.0028 2248 THR 8 OG1 0.0238 0.0027 0.0040 2249 THR 8 CG2 0.0218 0.0062 0.0002 2250 ASN 9 N 0.0132 0.0034 0.0034 2251 ASN 9 CA 0.0099 0.0043 0.0024 2252 ASN 9 C 0.0064 0.0041 0.0028 2253 ASN 9 O 0.0042 0.0059 0.0008 2254 ASN 9 CB 0.0100 0.0034 0.0035 2255 ASN 9 CG 0.0126 0.0045 0.0021 2256 ASN 9 OD1 0.0142 0.0063 0.0002 2257 ASN 9 ND2 0.0137 0.0031 0.0037 2258 VAL 10 N -0.0005 0.0003 0.0079 2259 VAL 10 CA -0.0017 0.0016 0.0085 2260 VAL 10 C -0.0039 0.0021 0.0067 2261 VAL 10 O -0.0043 0.0024 0.0068 2262 VAL 10 CB -0.0022 0.0030 0.0100 2263 VAL 10 CG1 -0.0037 0.0046 0.0108 2264 VAL 10 CG2 -0.0006 0.0029 0.0118 2265 LYS 11 N -0.0044 0.0017 0.0057 2266 LYS 11 CA -0.0059 0.0017 0.0039 2267 LYS 11 C -0.0057 0.0008 0.0028 2268 LYS 11 O -0.0066 0.0010 0.0021 2269 LYS 11 CB -0.0066 0.0019 0.0034 2270 LYS 11 CG -0.0071 0.0030 0.0045 2271 LYS 11 CD -0.0079 0.0028 0.0033 2272 LYS 11 CE -0.0085 0.0038 0.0041 2273 LYS 11 NZ -0.0073 0.0031 0.0045 2274 ALA 12 N -0.0040 -0.0006 0.0025 2275 ALA 12 CA -0.0038 -0.0014 0.0016 2276 ALA 12 C -0.0039 -0.0012 0.0017 2277 ALA 12 O -0.0047 -0.0012 0.0009 2278 ALA 12 CB -0.0022 -0.0029 0.0010 2279 ALA 13 N -0.0012 0.0034 0.0092 2280 ALA 13 CA 0.0001 0.0033 0.0091 2281 ALA 13 C -0.0028 0.0034 0.0092 2282 ALA 13 O -0.0032 0.0016 0.0076 2283 ALA 13 CB 0.0032 0.0050 0.0105 2284 TRP 14 N -0.0049 0.0055 0.0112 2285 TRP 14 CA -0.0075 0.0060 0.0117 2286 TRP 14 C -0.0103 0.0041 0.0101 2287 TRP 14 O -0.0121 0.0027 0.0089 2288 TRP 14 CB -0.0094 0.0085 0.0140 2289 TRP 14 CG -0.0105 0.0094 0.0148 2290 TRP 14 CD1 -0.0146 0.0092 0.0148 2291 TRP 14 CD2 -0.0085 0.0103 0.0156 2292 TRP 14 NE1 -0.0143 0.0105 0.0159 2293 TRP 14 CE2 -0.0116 0.0109 0.0162 2294 TRP 14 CE3 -0.0055 0.0105 0.0157 2295 TRP 14 CZ2 -0.0104 0.0114 0.0166 2296 TRP 14 CZ3 -0.0038 0.0113 0.0163 2297 TRP 14 CH2 -0.0074 0.0116 0.0167 2298 GLY 15 N -0.0114 0.0028 0.0090 2299 GLY 15 CA -0.0133 0.0006 0.0071 2300 GLY 15 C -0.0123 -0.0017 0.0050 2301 GLY 15 O -0.0151 -0.0029 0.0041 2302 LYS 16 N -0.0104 -0.0014 0.0127 2303 LYS 16 CA -0.0077 -0.0036 0.0101 2304 LYS 16 C -0.0075 -0.0045 0.0094 2305 LYS 16 O -0.0073 -0.0073 0.0076 2306 LYS 16 CB -0.0043 -0.0039 0.0085 2307 LYS 16 CG -0.0051 -0.0073 0.0066 2308 LYS 16 CD -0.0021 -0.0088 0.0043 2309 LYS 16 CE -0.0028 -0.0141 0.0012 2310 LYS 16 NZ -0.0011 -0.0148 0.0001 2311 VAL 17 N -0.0080 -0.0019 0.0113 2312 VAL 17 CA -0.0078 -0.0021 0.0111 2313 VAL 17 C -0.0107 -0.0048 0.0107 2314 VAL 17 O -0.0113 -0.0075 0.0092 2315 VAL 17 CB -0.0064 0.0013 0.0126 2316 VAL 17 CG1 -0.0078 0.0007 0.0128 2317 VAL 17 CG2 -0.0020 0.0029 0.0117 2318 GLY 18 N -0.0140 -0.0032 0.0131 2319 GLY 18 CA -0.0175 -0.0060 0.0128 2320 GLY 18 C -0.0188 -0.0064 0.0132 2321 GLY 18 O -0.0180 -0.0041 0.0143 2322 ALA 19 N -0.0267 -0.0138 0.0143 2323 ALA 19 CA -0.0273 -0.0144 0.0143 2324 ALA 19 C -0.0220 -0.0146 0.0128 2325 ALA 19 O -0.0213 -0.0143 0.0127 2326 ALA 19 CB -0.0306 -0.0199 0.0132 2327 HIS 20 N -0.0161 -0.0142 0.0114 2328 HIS 20 CA -0.0101 -0.0136 0.0100 2329 HIS 20 C -0.0086 -0.0067 0.0121 2330 HIS 20 O -0.0034 -0.0057 0.0111 2331 HIS 20 CB -0.0056 -0.0147 0.0084 2332 HIS 20 CG -0.0058 -0.0213 0.0060 2333 HIS 20 ND1 -0.0054 -0.0252 0.0045 2334 HIS 20 CD2 -0.0093 -0.0237 0.0061 2335 HIS 20 CE1 -0.0084 -0.0316 0.0029 2336 HIS 20 NE2 -0.0091 -0.0288 0.0041 2337 ALA 21 N -0.0120 -0.0028 0.0144 2338 ALA 21 CA -0.0106 0.0037 0.0165 2339 ALA 21 C -0.0091 0.0052 0.0166 2340 ALA 21 O -0.0036 0.0078 0.0161 2341 ALA 21 CB -0.0163 0.0062 0.0189 2342 GLY 22 N -0.0072 -0.0004 0.0129 2343 GLY 22 CA -0.0055 -0.0008 0.0121 2344 GLY 22 C -0.0023 -0.0023 0.0104 2345 GLY 22 O 0.0011 -0.0004 0.0093 2346 GLU 23 N -0.0004 -0.0058 0.0088 2347 GLU 23 CA 0.0031 -0.0075 0.0069 2348 GLU 23 C 0.0065 -0.0036 0.0062 2349 GLU 23 O 0.0102 -0.0033 0.0047 2350 GLU 23 CB 0.0032 -0.0116 0.0060 2351 GLU 23 CG 0.0066 -0.0140 0.0040 2352 GLU 23 CD 0.0043 -0.0198 0.0037 2353 GLU 23 OE1 0.0092 -0.0169 0.0022 2354 GLU 23 OE2 0.0026 -0.0183 0.0048 2355 TYR 24 N 0.0050 -0.0021 0.0072 2356 TYR 24 CA 0.0074 0.0012 0.0069 2357 TYR 24 C 0.0089 0.0054 0.0071 2358 TYR 24 O 0.0117 0.0076 0.0064 2359 TYR 24 CB 0.0060 0.0022 0.0077 2360 TYR 24 CG 0.0055 -0.0013 0.0072 2361 TYR 24 CD1 0.0036 0.0002 0.0083 2362 TYR 24 CD2 0.0071 -0.0051 0.0056 2363 TYR 24 CE1 0.0028 -0.0038 0.0078 2364 TYR 24 CE2 0.0066 -0.0088 0.0051 2365 TYR 24 CZ 0.0048 -0.0068 0.0063 2366 TYR 24 OH 0.0039 -0.0107 0.0059 2367 GLY 25 N 0.0049 0.0049 0.0077 2368 GLY 25 CA 0.0050 0.0058 0.0078 2369 GLY 25 C 0.0059 0.0050 0.0068 2370 GLY 25 O 0.0071 0.0062 0.0060 2371 ALA 26 N 0.0061 0.0033 0.0062 2372 ALA 26 CA 0.0071 0.0025 0.0051 2373 ALA 26 C 0.0086 0.0032 0.0038 2374 ALA 26 O 0.0096 0.0035 0.0029 2375 ALA 26 CB 0.0066 0.0003 0.0049 2376 GLU 27 N 0.0087 0.0029 0.0037 2377 GLU 27 CA 0.0101 0.0032 0.0024 2378 GLU 27 C 0.0106 0.0052 0.0024 2379 GLU 27 O 0.0120 0.0058 0.0013 2380 GLU 27 CB 0.0099 0.0030 0.0026 2381 GLU 27 CG 0.0113 0.0033 0.0013 2382 GLU 27 CD 0.0112 0.0028 0.0012 2383 GLU 27 OE1 0.0118 0.0039 0.0010 2384 GLU 27 OE2 0.0102 0.0015 0.0019 2385 ALA 28 N 0.0079 0.0055 0.0007 2386 ALA 28 CA 0.0083 0.0056 0.0012 2387 ALA 28 C 0.0078 0.0053 0.0015 2388 ALA 28 O 0.0079 0.0053 0.0015 2389 ALA 28 CB 0.0087 0.0056 0.0017 2390 LEU 29 N 0.0072 0.0049 0.0017 2391 LEU 29 CA 0.0067 0.0046 0.0019 2392 LEU 29 C 0.0065 0.0046 0.0015 2393 LEU 29 O 0.0063 0.0045 0.0015 2394 LEU 29 CB 0.0062 0.0042 0.0022 2395 LEU 29 CG 0.0064 0.0041 0.0029 2396 LEU 29 CD1 0.0059 0.0039 0.0029 2397 LEU 29 CD2 0.0066 0.0041 0.0034 2398 GLU 30 N 0.0063 0.0047 0.0008 2399 GLU 30 CA 0.0060 0.0047 0.0002 2400 GLU 30 C 0.0064 0.0050 0.0001 2401 GLU 30 O 0.0062 0.0049 -0.0001 2402 GLU 30 CB 0.0058 0.0048 -0.0005 2403 GLU 30 CG 0.0055 0.0048 -0.0010 2404 GLU 30 CD 0.0050 0.0048 -0.0019 2405 GLU 30 OE1 0.0052 0.0048 -0.0017 2406 GLU 30 OE2 0.0048 0.0047 -0.0020 2407 ARG 31 N 0.0047 0.0019 -0.0014 2408 ARG 31 CA 0.0045 0.0018 -0.0014 2409 ARG 31 C 0.0044 0.0015 -0.0015 2410 ARG 31 O 0.0041 0.0015 -0.0015 2411 ARG 31 CB 0.0046 0.0019 -0.0014 2412 ARG 31 CG 0.0046 0.0022 -0.0013 2413 ARG 31 CD 0.0047 0.0023 -0.0013 2414 ARG 31 NE 0.0047 0.0026 -0.0012 2415 ARG 31 CZ 0.0045 0.0027 -0.0012 2416 ARG 31 NH1 0.0042 0.0026 -0.0012 2417 ARG 31 NH2 0.0046 0.0030 -0.0011 2418 MET 32 N 0.0046 0.0014 -0.0016 2419 MET 32 CA 0.0045 0.0011 -0.0016 2420 MET 32 C 0.0043 0.0010 -0.0017 2421 MET 32 O 0.0041 0.0009 -0.0017 2422 MET 32 CB 0.0048 0.0009 -0.0017 2423 MET 32 CG 0.0047 0.0007 -0.0018 2424 MET 32 SD 0.0050 0.0005 -0.0019 2425 MET 32 CE 0.0051 0.0005 -0.0018 2426 PHE 33 N 0.0044 0.0011 -0.0016 2427 PHE 33 CA 0.0043 0.0010 -0.0016 2428 PHE 33 C 0.0040 0.0011 -0.0016 2429 PHE 33 O 0.0038 0.0010 -0.0016 2430 PHE 33 CB 0.0044 0.0011 -0.0016 2431 PHE 33 CG 0.0047 0.0010 -0.0017 2432 PHE 33 CD1 0.0048 0.0008 -0.0018 2433 PHE 33 CD2 0.0049 0.0012 -0.0016 2434 PHE 33 CE1 0.0050 0.0006 -0.0018 2435 PHE 33 CE2 0.0052 0.0010 -0.0017 2436 PHE 33 CZ 0.0052 0.0008 -0.0018 2437 LEU 34 N 0.0035 0.0027 -0.0024 2438 LEU 34 CA 0.0028 0.0028 -0.0015 2439 LEU 34 C 0.0020 0.0019 -0.0015 2440 LEU 34 O 0.0014 0.0016 -0.0010 2441 LEU 34 CB 0.0027 0.0034 -0.0008 2442 LEU 34 CG 0.0034 0.0044 -0.0006 2443 LEU 34 CD1 0.0034 0.0050 0.0001 2444 LEU 34 CD2 0.0034 0.0048 -0.0002 2445 SER 35 N 0.0019 0.0013 -0.0020 2446 SER 35 CA 0.0012 0.0004 -0.0020 2447 SER 35 C 0.0010 -0.0003 -0.0025 2448 SER 35 O 0.0003 -0.0009 -0.0024 2449 SER 35 CB 0.0011 -0.0000 -0.0024 2450 SER 35 OG 0.0011 0.0005 -0.0018 2451 PHE 36 N 0.0017 -0.0003 -0.0033 2452 PHE 36 CA 0.0017 -0.0010 -0.0040 2453 PHE 36 C 0.0024 -0.0004 -0.0042 2454 PHE 36 O 0.0030 -0.0003 -0.0049 2455 PHE 36 CB 0.0020 -0.0015 -0.0048 2456 PHE 36 CG 0.0014 -0.0020 -0.0047 2457 PHE 36 CD1 0.0018 -0.0016 -0.0047 2458 PHE 36 CD2 0.0005 -0.0027 -0.0043 2459 PHE 36 CE1 0.0014 -0.0020 -0.0046 2460 PHE 36 CE2 0.0002 -0.0030 -0.0042 2461 PHE 36 CZ 0.0006 -0.0026 -0.0043 2462 PRO 37 N 0.0012 -0.0000 -0.0088 2463 PRO 37 CA 0.0014 -0.0013 -0.0090 2464 PRO 37 C 0.0015 -0.0020 -0.0088 2465 PRO 37 O 0.0018 -0.0031 -0.0086 2466 PRO 37 CB 0.0012 -0.0016 -0.0103 2467 PRO 37 CG 0.0010 -0.0006 -0.0108 2468 PRO 37 CD 0.0010 0.0004 -0.0097 2469 THR 38 N 0.0014 -0.0013 -0.0089 2470 THR 38 CA 0.0016 -0.0019 -0.0085 2471 THR 38 C 0.0018 -0.0024 -0.0074 2472 THR 38 O 0.0020 -0.0032 -0.0072 2473 THR 38 CB 0.0013 -0.0008 -0.0092 2474 THR 38 OG1 0.0013 0.0001 -0.0081 2475 THR 38 CG2 0.0011 0.0002 -0.0092 2476 THR 39 N 0.0018 -0.0018 -0.0065 2477 THR 39 CA 0.0021 -0.0022 -0.0053 2478 THR 39 C 0.0023 -0.0036 -0.0052 2479 THR 39 O 0.0026 -0.0042 -0.0043 2480 THR 39 CB 0.0021 -0.0015 -0.0044 2481 THR 39 OG1 0.0021 -0.0014 -0.0047 2482 THR 39 CG2 0.0019 -0.0001 -0.0045 2483 LYS 40 N 0.0008 -0.0018 -0.0072 2484 LYS 40 CA 0.0005 -0.0029 -0.0072 2485 LYS 40 C 0.0004 -0.0033 -0.0071 2486 LYS 40 O 0.0002 -0.0042 -0.0069 2487 LYS 40 CB 0.0006 -0.0033 -0.0083 2488 LYS 40 CG 0.0007 -0.0030 -0.0086 2489 LYS 40 CD 0.0009 -0.0032 -0.0097 2490 LYS 40 CE 0.0009 -0.0033 -0.0099 2491 LYS 40 NZ 0.0010 -0.0036 -0.0111 2492 THR 41 N 0.0005 -0.0027 -0.0071 2493 THR 41 CA 0.0004 -0.0031 -0.0070 2494 THR 41 C 0.0002 -0.0033 -0.0060 2495 THR 41 O 0.0001 -0.0039 -0.0057 2496 THR 41 CB 0.0006 -0.0023 -0.0071 2497 THR 41 OG1 0.0007 -0.0016 -0.0065 2498 THR 41 CG2 0.0009 -0.0021 -0.0081 2499 TYR 42 N 0.0001 -0.0032 -0.0052 2500 TYR 42 CA -0.0001 -0.0034 -0.0042 2501 TYR 42 C -0.0003 -0.0043 -0.0040 2502 TYR 42 O -0.0005 -0.0047 -0.0033 2503 TYR 42 CB -0.0000 -0.0026 -0.0035 2504 TYR 42 CG 0.0002 -0.0018 -0.0037 2505 TYR 42 CD1 0.0001 -0.0017 -0.0031 2506 TYR 42 CD2 0.0004 -0.0010 -0.0042 2507 TYR 42 CE1 0.0003 -0.0010 -0.0032 2508 TYR 42 CE2 0.0006 -0.0002 -0.0042 2509 TYR 42 CZ 0.0005 -0.0002 -0.0037 2510 TYR 42 OH 0.0007 0.0006 -0.0037 2511 PHE 43 N 0.0001 -0.0042 -0.0051 2512 PHE 43 CA 0.0006 -0.0049 -0.0044 2513 PHE 43 C -0.0003 -0.0063 -0.0061 2514 PHE 43 O -0.0005 -0.0059 -0.0064 2515 PHE 43 CB 0.0008 -0.0025 -0.0036 2516 PHE 43 CG 0.0016 -0.0010 -0.0020 2517 PHE 43 CD1 0.0010 0.0008 -0.0025 2518 PHE 43 CD2 0.0028 -0.0013 0.0001 2519 PHE 43 CE1 0.0019 0.0021 -0.0009 2520 PHE 43 CE2 0.0035 0.0001 0.0015 2521 PHE 43 CZ 0.0032 0.0019 0.0013 2522 PRO 44 N -0.0005 -0.0084 -0.0069 2523 PRO 44 CA -0.0014 -0.0095 -0.0087 2524 PRO 44 C -0.0005 -0.0112 -0.0075 2525 PRO 44 O -0.0012 -0.0118 -0.0087 2526 PRO 44 CB -0.0016 -0.0113 -0.0094 2527 PRO 44 CG -0.0006 -0.0115 -0.0076 2528 PRO 44 CD -0.0001 -0.0091 -0.0063 2529 HIS 45 N 0.0005 -0.0114 -0.0058 2530 HIS 45 CA 0.0013 -0.0126 -0.0046 2531 HIS 45 C 0.0016 -0.0111 -0.0039 2532 HIS 45 O 0.0023 -0.0122 -0.0027 2533 HIS 45 CB 0.0025 -0.0135 -0.0027 2534 HIS 45 CG 0.0034 -0.0122 -0.0009 2535 HIS 45 ND1 0.0026 -0.0107 -0.0020 2536 HIS 45 CD2 0.0044 -0.0116 0.0010 2537 HIS 45 CE1 0.0034 -0.0097 -0.0004 2538 HIS 45 NE2 0.0046 -0.0101 0.0016 2539 PHE 46 N 0.0030 -0.0112 -0.0047 2540 PHE 46 CA 0.0032 -0.0100 -0.0038 2541 PHE 46 C 0.0024 -0.0098 -0.0052 2542 PHE 46 O 0.0014 -0.0093 -0.0072 2543 PHE 46 CB 0.0030 -0.0074 -0.0030 2544 PHE 46 CG 0.0040 -0.0075 -0.0010 2545 PHE 46 CD1 0.0042 -0.0055 0.0003 2546 PHE 46 CD2 0.0048 -0.0088 0.0001 2547 PHE 46 CE1 0.0051 -0.0052 0.0024 2548 PHE 46 CE2 0.0054 -0.0084 0.0014 2549 PHE 46 CZ 0.0058 -0.0064 0.0031 2550 ASP 47 N 0.0026 -0.0092 -0.0047 2551 ASP 47 CA 0.0017 -0.0081 -0.0060 2552 ASP 47 C 0.0013 -0.0053 -0.0054 2553 ASP 47 O 0.0021 -0.0048 -0.0035 2554 ASP 47 CB 0.0024 -0.0089 -0.0048 2555 ASP 47 CG 0.0014 -0.0081 -0.0066 2556 ASP 47 OD1 0.0009 -0.0065 -0.0068 2557 ASP 47 OD2 0.0019 -0.0088 -0.0059 2558 LEU 48 N 0.0003 -0.0046 -0.0071 2559 LEU 48 CA -0.0000 -0.0020 -0.0065 2560 LEU 48 C -0.0006 -0.0007 -0.0071 2561 LEU 48 O -0.0011 0.0016 -0.0071 2562 LEU 48 CB -0.0008 -0.0016 -0.0079 2563 LEU 48 CG -0.0005 -0.0023 -0.0076 2564 LEU 48 CD1 -0.0011 -0.0021 -0.0089 2565 LEU 48 CD2 0.0007 -0.0020 -0.0050 2566 SER 49 N -0.0033 0.0013 -0.0076 2567 SER 49 CA -0.0046 0.0035 -0.0103 2568 SER 49 C -0.0026 0.0072 -0.0072 2569 SER 49 O -0.0001 0.0076 -0.0028 2570 SER 49 CB -0.0064 -0.0002 -0.0128 2571 SER 49 OG -0.0054 -0.0038 -0.0106 2572 HIS 50 N -0.0038 0.0120 -0.0098 2573 HIS 50 CA -0.0020 0.0162 -0.0072 2574 HIS 50 C -0.0001 0.0139 -0.0037 2575 HIS 50 O -0.0015 0.0112 -0.0059 2576 HIS 50 CB -0.0036 0.0215 -0.0107 2577 HIS 50 CG -0.0016 0.0252 -0.0077 2578 HIS 50 ND1 -0.0016 0.0265 -0.0079 2579 HIS 50 CD2 0.0005 0.0282 -0.0045 2580 HIS 50 CE1 0.0005 0.0298 -0.0047 2581 HIS 50 NE2 0.0023 0.0318 -0.0018 2582 GLY 51 N 0.0023 0.0152 0.0003 2583 GLY 51 CA 0.0039 0.0135 0.0033 2584 GLY 51 C 0.0050 0.0087 0.0059 2585 GLY 51 O 0.0068 0.0066 0.0093 2586 SER 52 N 0.0041 0.0053 0.0040 2587 SER 52 CA 0.0056 0.0019 0.0042 2588 SER 52 C 0.0074 0.0017 0.0066 2589 SER 52 O 0.0076 0.0037 0.0082 2590 SER 52 CB 0.0047 0.0009 0.0022 2591 SER 52 OG 0.0061 -0.0019 0.0026 2592 ALA 53 N 0.0093 -0.0001 0.0084 2593 ALA 53 CA 0.0113 -0.0009 0.0109 2594 ALA 53 C 0.0116 -0.0014 0.0110 2595 ALA 53 O 0.0128 -0.0008 0.0131 2596 ALA 53 CB 0.0127 -0.0022 0.0122 2597 GLN 54 N 0.0106 -0.0032 0.0085 2598 GLN 54 CA 0.0109 -0.0046 0.0081 2599 GLN 54 C 0.0100 -0.0015 0.0087 2600 GLN 54 O 0.0109 -0.0015 0.0099 2601 GLN 54 CB 0.0100 -0.0067 0.0057 2602 GLN 54 CG 0.0110 -0.0095 0.0054 2603 GLN 54 CD 0.0101 -0.0121 0.0026 2604 GLN 54 OE1 0.0083 -0.0112 0.0004 2605 GLN 54 NE2 0.0112 -0.0144 0.0028 2606 VAL 55 N 0.0080 0.0006 0.0051 2607 VAL 55 CA 0.0062 0.0027 0.0050 2608 VAL 55 C 0.0065 0.0036 0.0076 2609 VAL 55 O 0.0058 0.0047 0.0082 2610 VAL 55 CB 0.0048 0.0036 0.0037 2611 VAL 55 CG1 0.0032 0.0057 0.0043 2612 VAL 55 CG2 0.0046 0.0026 0.0013 2613 LYS 56 N 0.0073 0.0035 0.0093 2614 LYS 56 CA 0.0076 0.0045 0.0117 2615 LYS 56 C 0.0084 0.0040 0.0126 2616 LYS 56 O 0.0081 0.0049 0.0138 2617 LYS 56 CB 0.0086 0.0041 0.0132 2618 LYS 56 CG 0.0074 0.0052 0.0127 2619 LYS 56 CD 0.0085 0.0058 0.0166 2620 LYS 56 CE 0.0070 0.0064 0.0143 2621 LYS 56 NZ 0.0087 0.0056 0.0166 2622 GLY 57 N 0.0098 0.0020 0.0118 2623 GLY 57 CA 0.0108 0.0012 0.0125 2624 GLY 57 C 0.0100 0.0018 0.0118 2625 GLY 57 O 0.0102 0.0022 0.0131 2626 HIS 58 N 0.0031 0.0021 0.0098 2627 HIS 58 CA 0.0026 0.0049 0.0094 2628 HIS 58 C 0.0014 0.0063 0.0105 2629 HIS 58 O 0.0003 0.0081 0.0113 2630 HIS 58 CB 0.0039 0.0059 0.0073 2631 HIS 58 CG 0.0034 0.0084 0.0069 2632 HIS 58 ND1 0.0025 0.0088 0.0080 2633 HIS 58 CD2 0.0037 0.0104 0.0057 2634 HIS 58 CE1 0.0023 0.0116 0.0073 2635 HIS 58 NE2 0.0030 0.0127 0.0058 2636 GLY 59 N 0.0021 0.0056 0.0098 2637 GLY 59 CA 0.0012 0.0068 0.0106 2638 GLY 59 C -0.0004 0.0067 0.0129 2639 GLY 59 O -0.0017 0.0087 0.0139 2640 LYS 60 N -0.0007 0.0045 0.0141 2641 LYS 60 CA -0.0023 0.0042 0.0164 2642 LYS 60 C -0.0034 0.0058 0.0172 2643 LYS 60 O -0.0048 0.0071 0.0186 2644 LYS 60 CB -0.0021 0.0012 0.0173 2645 LYS 60 CG -0.0038 0.0014 0.0195 2646 LYS 60 CD -0.0041 -0.0012 0.0211 2647 LYS 60 CE -0.0057 -0.0007 0.0229 2648 LYS 60 NZ -0.0064 -0.0006 0.0239 2649 LYS 61 N -0.0041 0.0102 0.0160 2650 LYS 61 CA -0.0050 0.0115 0.0158 2651 LYS 61 C -0.0065 0.0142 0.0153 2652 LYS 61 O -0.0079 0.0152 0.0161 2653 LYS 61 CB -0.0036 0.0116 0.0140 2654 LYS 61 CG -0.0028 0.0099 0.0147 2655 LYS 61 CD -0.0015 0.0096 0.0133 2656 LYS 61 CE -0.0007 0.0071 0.0147 2657 LYS 61 NZ 0.0010 0.0080 0.0118 2658 VAL 62 N -0.0056 0.0147 0.0137 2659 VAL 62 CA -0.0068 0.0167 0.0133 2660 VAL 62 C -0.0087 0.0174 0.0149 2661 VAL 62 O -0.0101 0.0187 0.0155 2662 VAL 62 CB -0.0055 0.0171 0.0113 2663 VAL 62 CG1 -0.0067 0.0189 0.0110 2664 VAL 62 CG2 -0.0042 0.0172 0.0096 2665 ALA 63 N -0.0081 0.0155 0.0161 2666 ALA 63 CA -0.0096 0.0154 0.0180 2667 ALA 63 C -0.0110 0.0158 0.0193 2668 ALA 63 O -0.0126 0.0168 0.0204 2669 ALA 63 CB -0.0090 0.0136 0.0189 2670 ASP 64 N -0.0105 0.0153 0.0173 2671 ASP 64 CA -0.0126 0.0156 0.0167 2672 ASP 64 C -0.0137 0.0172 0.0158 2673 ASP 64 O -0.0156 0.0171 0.0153 2674 ASP 64 CB -0.0122 0.0160 0.0166 2675 ASP 64 CG -0.0117 0.0142 0.0175 2676 ASP 64 OD1 -0.0116 0.0127 0.0181 2677 ASP 64 OD2 -0.0109 0.0152 0.0173 2678 ALA 65 N -0.0123 0.0189 0.0154 2679 ALA 65 CA -0.0133 0.0205 0.0145 2680 ALA 65 C -0.0145 0.0197 0.0145 2681 ALA 65 O -0.0163 0.0200 0.0140 2682 ALA 65 CB -0.0117 0.0221 0.0142 2683 LEU 66 N -0.0135 0.0179 0.0155 2684 LEU 66 CA -0.0143 0.0169 0.0158 2685 LEU 66 C -0.0163 0.0155 0.0158 2686 LEU 66 O -0.0181 0.0154 0.0154 2687 LEU 66 CB -0.0126 0.0157 0.0167 2688 LEU 66 CG -0.0107 0.0172 0.0165 2689 LEU 66 CD1 -0.0091 0.0161 0.0174 2690 LEU 66 CD2 -0.0115 0.0182 0.0159 2691 THR 67 N -0.0113 0.0196 0.0156 2692 THR 67 CA -0.0102 0.0203 0.0151 2693 THR 67 C -0.0090 0.0190 0.0112 2694 THR 67 O -0.0098 0.0177 0.0102 2695 THR 67 CB -0.0077 0.0235 0.0169 2696 THR 67 OG1 -0.0090 0.0245 0.0204 2697 THR 67 CG2 -0.0062 0.0241 0.0158 2698 ASN 68 N -0.0070 0.0194 0.0091 2699 ASN 68 CA -0.0063 0.0180 0.0056 2700 ASN 68 C -0.0089 0.0149 0.0041 2701 ASN 68 O -0.0087 0.0133 0.0011 2702 ASN 68 CB -0.0039 0.0190 0.0039 2703 ASN 68 CG -0.0025 0.0177 -0.0003 2704 ASN 68 OD1 -0.0021 0.0172 -0.0016 2705 ASN 68 ND2 -0.0022 0.0168 -0.0024 2706 ALA 69 N -0.0110 0.0139 0.0054 2707 ALA 69 CA -0.0140 0.0105 0.0041 2708 ALA 69 C -0.0154 0.0098 0.0048 2709 ALA 69 O -0.0165 0.0075 0.0026 2710 ALA 69 CB -0.0160 0.0098 0.0056 2711 VAL 70 N -0.0119 0.0128 0.0083 2712 VAL 70 CA -0.0143 0.0125 0.0102 2713 VAL 70 C -0.0109 0.0128 0.0071 2714 VAL 70 O -0.0138 0.0104 0.0060 2715 VAL 70 CB -0.0146 0.0149 0.0151 2716 VAL 70 CG1 -0.0167 0.0145 0.0166 2717 VAL 70 CG2 -0.0178 0.0144 0.0177 2718 ALA 71 N -0.0076 0.0145 0.0067 2719 ALA 71 CA -0.0039 0.0152 0.0038 2720 ALA 71 C -0.0053 0.0124 0.0002 2721 ALA 71 O -0.0042 0.0114 -0.0027 2722 ALA 71 CB -0.0000 0.0179 0.0045 2723 HIS 72 N -0.0060 0.0104 -0.0026 2724 HIS 72 CA -0.0069 0.0078 -0.0064 2725 HIS 72 C -0.0102 0.0050 -0.0078 2726 HIS 72 O -0.0114 0.0025 -0.0111 2727 HIS 72 CB -0.0027 0.0082 -0.0102 2728 HIS 72 CG 0.0010 0.0106 -0.0098 2729 HIS 72 ND1 0.0050 0.0110 -0.0135 2730 HIS 72 CD2 0.0044 0.0145 -0.0065 2731 HIS 72 CE1 0.0079 0.0134 -0.0123 2732 HIS 72 NE2 0.0089 0.0163 -0.0083 2733 VAL 73 N -0.0083 0.0060 0.0032 2734 VAL 73 CA -0.0141 0.0044 0.0016 2735 VAL 73 C -0.0175 0.0017 -0.0057 2736 VAL 73 O -0.0209 0.0003 -0.0081 2737 VAL 73 CB -0.0205 0.0048 0.0084 2738 VAL 73 CG1 -0.0205 0.0050 0.0095 2739 VAL 73 CG2 -0.0245 0.0035 0.0067 2740 ASP 74 N -0.0155 0.0017 -0.0072 2741 ASP 74 CA -0.0186 -0.0008 -0.0141 2742 ASP 74 C -0.0151 -0.0018 -0.0210 2743 ASP 74 O -0.0165 -0.0031 -0.0246 2744 ASP 74 CB -0.0195 -0.0005 -0.0124 2745 ASP 74 CG -0.0234 -0.0001 -0.0076 2746 ASP 74 OD1 -0.0304 -0.0008 -0.0047 2747 ASP 74 OD2 -0.0231 0.0012 -0.0030 2748 ASP 75 N -0.0092 -0.0000 -0.0191 2749 ASP 75 CA -0.0039 -0.0007 -0.0259 2750 ASP 75 C 0.0000 0.0011 -0.0224 2751 ASP 75 O 0.0057 0.0016 -0.0249 2752 ASP 75 CB 0.0013 0.0003 -0.0262 2753 ASP 75 CG 0.0058 -0.0003 -0.0322 2754 ASP 75 OD1 0.0033 -0.0023 -0.0378 2755 ASP 75 OD2 0.0111 0.0020 -0.0280 2756 MET 76 N -0.0112 -0.0080 -0.0275 2757 MET 76 CA -0.0103 -0.0041 -0.0236 2758 MET 76 C -0.0078 -0.0053 -0.0278 2759 MET 76 O -0.0032 -0.0000 -0.0262 2760 MET 76 CB -0.0190 -0.0054 -0.0158 2761 MET 76 CG -0.0195 -0.0008 -0.0095 2762 MET 76 SD -0.0295 -0.0018 0.0000 2763 MET 76 CE -0.0362 -0.0105 -0.0036 2764 PRO 77 N -0.0105 -0.0122 -0.0336 2765 PRO 77 CA -0.0061 -0.0125 -0.0387 2766 PRO 77 C 0.0016 -0.0088 -0.0424 2767 PRO 77 O 0.0054 -0.0055 -0.0423 2768 PRO 77 CB -0.0108 -0.0214 -0.0448 2769 PRO 77 CG -0.0175 -0.0254 -0.0427 2770 PRO 77 CD -0.0147 -0.0189 -0.0375 2771 ASN 78 N 0.0070 -0.0071 -0.0460 2772 ASN 78 CA 0.0153 -0.0013 -0.0478 2773 ASN 78 C 0.0187 0.0048 -0.0438 2774 ASN 78 O 0.0238 0.0100 -0.0428 2775 ASN 78 CB 0.0194 -0.0046 -0.0564 2776 ASN 78 CG 0.0300 0.0006 -0.0613 2777 ASN 78 OD1 0.0321 0.0005 -0.0636 2778 ASN 78 ND2 0.0343 0.0067 -0.0583 2779 ALA 79 N 0.0060 0.0050 -0.0366 2780 ALA 79 CA 0.0061 0.0117 -0.0338 2781 ALA 79 C 0.0028 0.0145 -0.0288 2782 ALA 79 O 0.0041 0.0204 -0.0276 2783 ALA 79 CB 0.0040 0.0136 -0.0305 2784 LEU 80 N -0.0013 0.0098 -0.0262 2785 LEU 80 CA -0.0049 0.0117 -0.0212 2786 LEU 80 C -0.0051 0.0083 -0.0226 2787 LEU 80 O -0.0079 0.0092 -0.0189 2788 LEU 80 CB -0.0098 0.0083 -0.0172 2789 LEU 80 CG -0.0110 0.0103 -0.0149 2790 LEU 80 CD1 -0.0162 0.0071 -0.0105 2791 LEU 80 CD2 -0.0099 0.0173 -0.0131 2792 SER 81 N -0.0007 0.0068 -0.0281 2793 SER 81 CA -0.0007 0.0036 -0.0296 2794 SER 81 C -0.0012 0.0084 -0.0269 2795 SER 81 O -0.0038 0.0061 -0.0249 2796 SER 81 CB 0.0050 0.0037 -0.0360 2797 SER 81 OG 0.0040 -0.0015 -0.0373 2798 ALA 82 N -0.0106 0.0088 -0.0257 2799 ALA 82 CA -0.0122 0.0122 -0.0234 2800 ALA 82 C -0.0134 0.0124 -0.0197 2801 ALA 82 O -0.0148 0.0140 -0.0167 2802 ALA 82 CB -0.0126 0.0159 -0.0261 2803 LEU 83 N -0.0130 0.0107 -0.0194 2804 LEU 83 CA -0.0143 0.0112 -0.0157 2805 LEU 83 C -0.0140 0.0075 -0.0130 2806 LEU 83 O -0.0154 0.0084 -0.0091 2807 LEU 83 CB -0.0135 0.0095 -0.0167 2808 LEU 83 CG -0.0144 0.0136 -0.0177 2809 LEU 83 CD1 -0.0138 0.0118 -0.0179 2810 LEU 83 CD2 -0.0161 0.0170 -0.0152 2811 SER 84 N -0.0127 0.0045 -0.0142 2812 SER 84 CA -0.0127 0.0016 -0.0116 2813 SER 84 C -0.0136 0.0030 -0.0098 2814 SER 84 O -0.0145 0.0025 -0.0064 2815 SER 84 CB -0.0110 -0.0031 -0.0126 2816 SER 84 OG -0.0103 -0.0032 -0.0148 2817 ASP 85 N -0.0155 0.0015 -0.0111 2818 ASP 85 CA -0.0170 0.0036 -0.0090 2819 ASP 85 C -0.0181 0.0051 -0.0073 2820 ASP 85 O -0.0185 0.0058 -0.0048 2821 ASP 85 CB -0.0183 0.0049 -0.0110 2822 ASP 85 CG -0.0174 0.0037 -0.0119 2823 ASP 85 OD1 -0.0161 0.0022 -0.0111 2824 ASP 85 OD2 -0.0186 0.0050 -0.0144 2825 LEU 86 N -0.0186 0.0055 -0.0092 2826 LEU 86 CA -0.0198 0.0071 -0.0081 2827 LEU 86 C -0.0191 0.0066 -0.0051 2828 LEU 86 O -0.0197 0.0075 -0.0027 2829 LEU 86 CB -0.0204 0.0077 -0.0106 2830 LEU 86 CG -0.0220 0.0097 -0.0100 2831 LEU 86 CD1 -0.0240 0.0122 -0.0091 2832 LEU 86 CD2 -0.0223 0.0098 -0.0124 2833 HIS 87 N -0.0171 0.0040 -0.0056 2834 HIS 87 CA -0.0162 0.0031 -0.0032 2835 HIS 87 C -0.0154 0.0024 0.0002 2836 HIS 87 O -0.0157 0.0030 0.0027 2837 HIS 87 CB -0.0141 0.0004 -0.0040 2838 HIS 87 CG -0.0147 0.0009 -0.0063 2839 HIS 87 ND1 -0.0154 0.0015 -0.0092 2840 HIS 87 CD2 -0.0148 0.0011 -0.0057 2841 HIS 87 CE1 -0.0158 0.0019 -0.0106 2842 HIS 87 NE2 -0.0154 0.0015 -0.0086 2843 ALA 88 N -0.0152 -0.0021 -0.0021 2844 ALA 88 CA -0.0144 -0.0009 -0.0001 2845 ALA 88 C -0.0154 0.0016 0.0019 2846 ALA 88 O -0.0142 0.0024 0.0039 2847 ALA 88 CB -0.0146 -0.0009 -0.0003 2848 HIS 89 N -0.0179 0.0026 0.0008 2849 HIS 89 CA -0.0196 0.0049 0.0019 2850 HIS 89 C -0.0201 0.0055 0.0021 2851 HIS 89 O -0.0205 0.0073 0.0039 2852 HIS 89 CB -0.0216 0.0058 0.0012 2853 HIS 89 CG -0.0204 0.0053 0.0016 2854 HIS 89 ND1 -0.0188 0.0057 0.0036 2855 HIS 89 CD2 -0.0212 0.0044 -0.0002 2856 HIS 89 CE1 -0.0186 0.0047 0.0026 2857 HIS 89 NE2 -0.0198 0.0040 0.0007 2858 LYS 90 N -0.0200 0.0043 0.0008 2859 LYS 90 CA -0.0210 0.0047 0.0004 2860 LYS 90 C -0.0189 0.0036 0.0010 2861 LYS 90 O -0.0181 0.0044 0.0028 2862 LYS 90 CB -0.0233 0.0049 -0.0014 2863 LYS 90 CG -0.0233 0.0053 -0.0010 2864 LYS 90 CD -0.0262 0.0051 -0.0037 2865 LYS 90 CE -0.0269 0.0065 -0.0027 2866 LYS 90 NZ -0.0304 0.0083 -0.0039 2867 LEU 91 N -0.0131 0.0021 0.0007 2868 LEU 91 CA -0.0125 0.0018 0.0005 2869 LEU 91 C -0.0110 0.0011 0.0025 2870 LEU 91 O -0.0111 0.0012 0.0033 2871 LEU 91 CB -0.0117 0.0012 -0.0021 2872 LEU 91 CG -0.0131 0.0018 -0.0038 2873 LEU 91 CD1 -0.0120 0.0010 -0.0063 2874 LEU 91 CD2 -0.0149 0.0027 -0.0039 2875 ARG 92 N -0.0093 0.0003 0.0030 2876 ARG 92 CA -0.0080 -0.0003 0.0051 2877 ARG 92 C -0.0068 -0.0009 0.0051 2878 ARG 92 O -0.0065 -0.0010 0.0064 2879 ARG 92 CB -0.0092 0.0005 0.0074 2880 ARG 92 CG -0.0094 0.0007 0.0079 2881 ARG 92 CD -0.0110 0.0016 0.0099 2882 ARG 92 NE -0.0105 0.0014 0.0105 2883 ARG 92 CZ -0.0147 0.0038 0.0125 2884 ARG 92 NH1 -0.0157 0.0041 0.0098 2885 ARG 92 NH2 -0.0135 0.0031 0.0125 2886 VAL 93 N -0.0060 -0.0015 0.0027 2887 VAL 93 CA -0.0047 -0.0022 0.0022 2888 VAL 93 C -0.0025 -0.0033 0.0033 2889 VAL 93 O -0.0013 -0.0039 0.0030 2890 VAL 93 CB -0.0044 -0.0025 -0.0006 2891 VAL 93 CG1 -0.0030 -0.0034 -0.0013 2892 VAL 93 CG2 -0.0066 -0.0015 -0.0017 2893 ASP 94 N -0.0024 -0.0033 0.0002 2894 ASP 94 CA -0.0015 -0.0021 0.0003 2895 ASP 94 C -0.0012 -0.0019 0.0002 2896 ASP 94 O -0.0011 -0.0027 -0.0006 2897 ASP 94 CB -0.0002 -0.0017 -0.0006 2898 ASP 94 CG 0.0007 -0.0003 -0.0002 2899 ASP 94 OD1 0.0008 0.0004 0.0003 2900 ASP 94 OD2 0.0013 0.0001 -0.0005 2901 PRO 95 N -0.0010 -0.0008 0.0011 2902 PRO 95 CA -0.0008 -0.0005 0.0011 2903 PRO 95 C 0.0002 -0.0006 0.0000 2904 PRO 95 O 0.0000 -0.0011 -0.0003 2905 PRO 95 CB -0.0006 0.0008 0.0021 2906 PRO 95 CG -0.0012 0.0009 0.0028 2907 PRO 95 CD -0.0011 0.0003 0.0021 2908 VAL 96 N 0.0012 -0.0005 -0.0010 2909 VAL 96 CA 0.0022 -0.0007 -0.0021 2910 VAL 96 C 0.0017 -0.0020 -0.0028 2911 VAL 96 O 0.0022 -0.0023 -0.0036 2912 VAL 96 CB 0.0031 -0.0004 -0.0028 2913 VAL 96 CG1 0.0034 0.0009 -0.0019 2914 VAL 96 CG2 0.0030 -0.0012 -0.0034 2915 ASN 97 N 0.0011 -0.0040 -0.0027 2916 ASN 97 CA 0.0010 -0.0058 -0.0028 2917 ASN 97 C -0.0001 -0.0063 -0.0020 2918 ASN 97 O -0.0000 -0.0079 -0.0023 2919 ASN 97 CB 0.0008 -0.0067 -0.0028 2920 ASN 97 CG 0.0021 -0.0065 -0.0039 2921 ASN 97 OD1 0.0033 -0.0071 -0.0050 2922 ASN 97 ND2 0.0020 -0.0054 -0.0037 2923 PHE 98 N -0.0011 -0.0054 -0.0010 2924 PHE 98 CA -0.0023 -0.0058 -0.0001 2925 PHE 98 C -0.0018 -0.0058 -0.0006 2926 PHE 98 O -0.0023 -0.0070 -0.0003 2927 PHE 98 CB -0.0036 -0.0047 0.0011 2928 PHE 98 CG -0.0042 -0.0051 0.0016 2929 PHE 98 CD1 -0.0054 -0.0064 0.0024 2930 PHE 98 CD2 -0.0037 -0.0045 0.0012 2931 PHE 98 CE1 -0.0061 -0.0070 0.0029 2932 PHE 98 CE2 -0.0046 -0.0052 0.0018 2933 PHE 98 CZ -0.0058 -0.0063 0.0027 2934 LYS 99 N -0.0008 -0.0046 -0.0012 2935 LYS 99 CA -0.0002 -0.0045 -0.0017 2936 LYS 99 C 0.0004 -0.0061 -0.0024 2937 LYS 99 O 0.0006 -0.0066 -0.0026 2938 LYS 99 CB 0.0007 -0.0026 -0.0022 2939 LYS 99 CG 0.0014 -0.0023 -0.0028 2940 LYS 99 CD 0.0025 -0.0002 -0.0034 2941 LYS 99 CE 0.0044 -0.0017 -0.0052 2942 LYS 99 NZ 0.0058 -0.0005 -0.0061 2943 LEU 100 N 0.0002 -0.0031 -0.0025 2944 LEU 100 CA 0.0010 -0.0032 -0.0016 2945 LEU 100 C 0.0013 -0.0034 -0.0006 2946 LEU 100 O 0.0011 -0.0036 0.0004 2947 LEU 100 CB 0.0019 -0.0031 -0.0021 2948 LEU 100 CG 0.0016 -0.0029 -0.0030 2949 LEU 100 CD1 0.0027 -0.0028 -0.0034 2950 LEU 100 CD2 0.0006 -0.0030 -0.0026 2951 LEU 101 N 0.0019 -0.0033 -0.0010 2952 LEU 101 CA 0.0023 -0.0034 -0.0001 2953 LEU 101 C 0.0011 -0.0036 0.0005 2954 LEU 101 O 0.0012 -0.0038 0.0016 2955 LEU 101 CB 0.0030 -0.0033 -0.0007 2956 LEU 101 CG 0.0034 -0.0034 0.0001 2957 LEU 101 CD1 0.0040 -0.0036 0.0013 2958 LEU 101 CD2 0.0042 -0.0033 -0.0005 2959 SER 102 N 0.0001 -0.0035 -0.0002 2960 SER 102 CA -0.0009 -0.0037 0.0003 2961 SER 102 C -0.0014 -0.0039 0.0013 2962 SER 102 O -0.0017 -0.0041 0.0022 2963 SER 102 CB -0.0018 -0.0035 -0.0007 2964 SER 102 OG -0.0015 -0.0033 -0.0015 2965 HIS 103 N 0.0025 -0.0012 0.0000 2966 HIS 103 CA 0.0023 -0.0006 -0.0004 2967 HIS 103 C 0.0023 -0.0008 -0.0004 2968 HIS 103 O 0.0023 -0.0003 -0.0003 2969 HIS 103 CB 0.0020 -0.0006 -0.0011 2970 HIS 103 CG 0.0018 -0.0001 -0.0016 2971 HIS 103 ND1 0.0016 -0.0005 -0.0023 2972 HIS 103 CD2 0.0017 0.0006 -0.0016 2973 HIS 103 CE1 0.0014 0.0002 -0.0026 2974 HIS 103 NE2 0.0015 0.0009 -0.0022 2975 CYS 104 N 0.0023 -0.0016 -0.0005 2976 CYS 104 CA 0.0023 -0.0019 -0.0005 2977 CYS 104 C 0.0026 -0.0018 0.0002 2978 CYS 104 O 0.0026 -0.0016 0.0002 2979 CYS 104 CB 0.0023 -0.0027 -0.0009 2980 CYS 104 SG 0.0020 -0.0027 -0.0018 2981 LEU 105 N 0.0028 -0.0019 0.0008 2982 LEU 105 CA 0.0030 -0.0017 0.0014 2983 LEU 105 C 0.0030 -0.0008 0.0015 2984 LEU 105 O 0.0031 -0.0007 0.0019 2985 LEU 105 CB 0.0033 -0.0019 0.0020 2986 LEU 105 CG 0.0035 -0.0021 0.0028 2987 LEU 105 CD1 0.0036 -0.0031 0.0027 2988 LEU 105 CD2 0.0037 -0.0026 0.0030 2989 LEU 106 N 0.0056 -0.0008 -0.0025 2990 LEU 106 CA 0.0048 -0.0007 -0.0019 2991 LEU 106 C 0.0047 -0.0005 -0.0013 2992 LEU 106 O 0.0045 -0.0003 -0.0007 2993 LEU 106 CB 0.0041 -0.0011 -0.0024 2994 LEU 106 CG 0.0040 -0.0013 -0.0030 2995 LEU 106 CD1 0.0033 -0.0016 -0.0034 2996 LEU 106 CD2 0.0041 -0.0012 -0.0028 2997 VAL 107 N 0.0047 -0.0004 -0.0012 2998 VAL 107 CA 0.0045 -0.0002 -0.0006 2999 VAL 107 C 0.0051 0.0001 0.0000 3000 VAL 107 O 0.0050 0.0004 0.0008 3001 VAL 107 CB 0.0045 -0.0003 -0.0007 3002 VAL 107 CG1 0.0045 0.0000 0.0000 3003 VAL 107 CG2 0.0038 -0.0006 -0.0011 3004 THR 108 N 0.0059 0.0002 -0.0002 3005 THR 108 CA 0.0066 0.0005 0.0003 3006 THR 108 C 0.0064 0.0006 0.0006 3007 THR 108 O 0.0066 0.0009 0.0013 3008 THR 108 CB 0.0074 0.0004 -0.0002 3009 THR 108 OG1 0.0075 0.0003 -0.0006 3010 THR 108 CG2 0.0081 0.0007 0.0002 3011 LEU 109 N 0.0074 0.0030 0.0008 3012 LEU 109 CA 0.0074 0.0031 0.0010 3013 LEU 109 C 0.0082 0.0031 -0.0002 3014 LEU 109 O 0.0082 0.0029 -0.0005 3015 LEU 109 CB 0.0074 0.0039 0.0023 3016 LEU 109 CG 0.0063 0.0037 0.0034 3017 LEU 109 CD1 0.0066 0.0047 0.0046 3018 LEU 109 CD2 0.0055 0.0028 0.0032 3019 ALA 110 N 0.0093 0.0039 -0.0004 3020 ALA 110 CA 0.0104 0.0042 -0.0014 3021 ALA 110 C 0.0101 0.0033 -0.0024 3022 ALA 110 O 0.0105 0.0031 -0.0033 3023 ALA 110 CB 0.0113 0.0049 -0.0015 3024 ALA 111 N 0.0095 0.0025 -0.0028 3025 ALA 111 CA 0.0093 0.0016 -0.0040 3026 ALA 111 C 0.0085 0.0009 -0.0040 3027 ALA 111 O 0.0085 0.0002 -0.0051 3028 ALA 111 CB 0.0089 0.0012 -0.0041 3029 HIS 112 N 0.0110 0.0006 -0.0023 3030 HIS 112 CA 0.0103 -0.0001 -0.0019 3031 HIS 112 C 0.0101 0.0003 -0.0016 3032 HIS 112 O 0.0095 -0.0004 -0.0013 3033 HIS 112 CB 0.0096 -0.0004 -0.0014 3034 HIS 112 CG 0.0098 -0.0010 -0.0019 3035 HIS 112 ND1 0.0102 -0.0006 -0.0021 3036 HIS 112 CD2 0.0097 -0.0019 -0.0022 3037 HIS 112 CE1 0.0102 -0.0014 -0.0025 3038 HIS 112 NE2 0.0099 -0.0022 -0.0026 3039 LEU 113 N 0.0101 0.0010 -0.0012 3040 LEU 113 CA 0.0099 0.0015 -0.0008 3041 LEU 113 C 0.0107 0.0020 -0.0013 3042 LEU 113 O 0.0105 0.0028 -0.0008 3043 LEU 113 CB 0.0096 0.0022 -0.0002 3044 LEU 113 CG 0.0089 0.0017 0.0003 3045 LEU 113 CD1 0.0088 0.0029 0.0010 3046 LEU 113 CD2 0.0084 0.0010 0.0005 3047 PRO 114 N 0.0110 0.0016 -0.0019 3048 PRO 114 CA 0.0118 0.0018 -0.0026 3049 PRO 114 C 0.0114 0.0024 -0.0019 3050 PRO 114 O 0.0116 0.0034 -0.0016 3051 PRO 114 CB 0.0120 0.0010 -0.0031 3052 PRO 114 CG 0.0112 0.0003 -0.0026 3053 PRO 114 CD 0.0107 0.0004 -0.0021 3054 ALA 115 N 0.0082 0.0022 -0.0041 3055 ALA 115 CA 0.0085 0.0030 -0.0033 3056 ALA 115 C 0.0087 0.0032 -0.0025 3057 ALA 115 O 0.0091 0.0042 -0.0019 3058 ALA 115 CB 0.0086 0.0032 -0.0027 3059 GLU 116 N 0.0085 0.0024 -0.0019 3060 GLU 116 CA 0.0086 0.0025 -0.0006 3061 GLU 116 C 0.0086 0.0027 -0.0009 3062 GLU 116 O 0.0089 0.0034 -0.0001 3063 GLU 116 CB 0.0082 0.0012 -0.0002 3064 GLU 116 CG 0.0077 0.0001 -0.0009 3065 GLU 116 CD 0.0080 0.0006 0.0002 3066 GLU 116 OE1 0.0083 0.0013 0.0008 3067 GLU 116 OE2 0.0078 0.0002 -0.0005 3068 PHE 117 N 0.0085 0.0025 -0.0020 3069 PHE 117 CA 0.0085 0.0028 -0.0024 3070 PHE 117 C 0.0089 0.0041 -0.0028 3071 PHE 117 O 0.0089 0.0042 -0.0038 3072 PHE 117 CB 0.0081 0.0019 -0.0033 3073 PHE 117 CG 0.0080 0.0016 -0.0036 3074 PHE 117 CD1 0.0079 0.0010 -0.0026 3075 PHE 117 CD2 0.0081 0.0020 -0.0046 3076 PHE 117 CE1 0.0078 0.0008 -0.0028 3077 PHE 117 CE2 0.0080 0.0020 -0.0047 3078 PHE 117 CZ 0.0079 0.0013 -0.0038 3079 THR 118 N 0.0079 0.0053 -0.0046 3080 THR 118 CA 0.0072 0.0065 -0.0050 3081 THR 118 C 0.0068 0.0063 -0.0058 3082 THR 118 O 0.0073 0.0051 -0.0060 3083 THR 118 CB 0.0075 0.0072 -0.0036 3084 THR 118 OG1 0.0078 0.0075 -0.0027 3085 THR 118 CG2 0.0079 0.0068 -0.0032 3086 PRO 119 N 0.0063 0.0071 -0.0062 3087 PRO 119 CA 0.0060 0.0070 -0.0070 3088 PRO 119 C 0.0065 0.0064 -0.0064 3089 PRO 119 O 0.0066 0.0056 -0.0070 3090 PRO 119 CB 0.0053 0.0081 -0.0075 3091 PRO 119 CG 0.0050 0.0088 -0.0074 3092 PRO 119 CD 0.0057 0.0084 -0.0063 3093 ALA 120 N 0.0068 0.0070 -0.0053 3094 ALA 120 CA 0.0072 0.0066 -0.0048 3095 ALA 120 C 0.0079 0.0053 -0.0045 3096 ALA 120 O 0.0082 0.0046 -0.0046 3097 ALA 120 CB 0.0074 0.0074 -0.0035 3098 VAL 121 N 0.0071 0.0058 -0.0022 3099 VAL 121 CA 0.0065 0.0043 -0.0019 3100 VAL 121 C 0.0054 0.0031 -0.0022 3101 VAL 121 O 0.0053 0.0019 -0.0012 3102 VAL 121 CB 0.0063 0.0045 -0.0023 3103 VAL 121 CG1 0.0054 0.0029 -0.0021 3104 VAL 121 CG2 0.0075 0.0054 -0.0014 3105 HIS 122 N 0.0049 0.0036 -0.0035 3106 HIS 122 CA 0.0038 0.0025 -0.0041 3107 HIS 122 C 0.0042 0.0020 -0.0029 3108 HIS 122 O 0.0037 0.0006 -0.0025 3109 HIS 122 CB 0.0034 0.0034 -0.0056 3110 HIS 122 CG 0.0025 0.0029 -0.0064 3111 HIS 122 ND1 0.0018 0.0035 -0.0079 3112 HIS 122 CD2 0.0019 0.0014 -0.0058 3113 HIS 122 CE1 0.0010 0.0026 -0.0083 3114 HIS 122 NE2 0.0009 0.0012 -0.0072 3115 ALA 123 N 0.0052 0.0030 -0.0024 3116 ALA 123 CA 0.0056 0.0024 -0.0013 3117 ALA 123 C 0.0059 0.0014 0.0001 3118 ALA 123 O 0.0056 0.0002 0.0007 3119 ALA 123 CB 0.0067 0.0040 -0.0012 3120 SER 124 N 0.0040 0.0038 0.0038 3121 SER 124 CA 0.0044 0.0023 0.0058 3122 SER 124 C 0.0022 0.0005 0.0056 3123 SER 124 O 0.0022 -0.0009 0.0073 3124 SER 124 CB 0.0056 0.0035 0.0057 3125 SER 124 OG 0.0076 0.0053 0.0059 3126 LEU 125 N 0.0010 0.0009 0.0038 3127 LEU 125 CA -0.0011 -0.0009 0.0036 3128 LEU 125 C -0.0023 -0.0023 0.0040 3129 LEU 125 O -0.0031 -0.0042 0.0053 3130 LEU 125 CB -0.0023 -0.0002 0.0014 3131 LEU 125 CG -0.0019 0.0004 0.0012 3132 LEU 125 CD1 -0.0029 0.0015 -0.0011 3133 LEU 125 CD2 -0.0022 -0.0012 0.0027 3134 ASP 126 N -0.0021 -0.0016 0.0034 3135 ASP 126 CA -0.0031 -0.0028 0.0037 3136 ASP 126 C -0.0021 -0.0039 0.0060 3137 ASP 126 O -0.0030 -0.0056 0.0070 3138 ASP 126 CB -0.0029 -0.0016 0.0024 3139 ASP 126 CG -0.0045 -0.0028 0.0021 3140 ASP 126 OD1 -0.0060 -0.0041 0.0020 3141 ASP 126 OD2 -0.0037 -0.0029 0.0030 3142 LYS 127 N -0.0027 -0.0047 0.0143 3143 LYS 127 CA -0.0018 -0.0054 0.0167 3144 LYS 127 C -0.0042 -0.0051 0.0166 3145 LYS 127 O -0.0050 -0.0057 0.0194 3146 LYS 127 CB 0.0013 -0.0057 0.0160 3147 LYS 127 CG 0.0035 -0.0060 0.0164 3148 LYS 127 CD 0.0068 -0.0063 0.0158 3149 LYS 127 CE 0.0075 -0.0069 0.0178 3150 LYS 127 NZ 0.0108 -0.0072 0.0173 3151 PHE 128 N -0.0050 -0.0044 0.0142 3152 PHE 128 CA -0.0069 -0.0041 0.0143 3153 PHE 128 C -0.0104 -0.0041 0.0157 3154 PHE 128 O -0.0114 -0.0044 0.0177 3155 PHE 128 CB -0.0076 -0.0033 0.0113 3156 PHE 128 CG -0.0106 -0.0028 0.0108 3157 PHE 128 CD1 -0.0100 -0.0031 0.0119 3158 PHE 128 CD2 -0.0124 -0.0022 0.0095 3159 PHE 128 CE1 -0.0127 -0.0026 0.0113 3160 PHE 128 CE2 -0.0152 -0.0018 0.0094 3161 PHE 128 CZ -0.0151 -0.0020 0.0101 3162 LEU 129 N -0.0114 -0.0037 0.0148 3163 LEU 129 CA -0.0145 -0.0037 0.0162 3164 LEU 129 C -0.0141 -0.0046 0.0195 3165 LEU 129 O -0.0162 -0.0049 0.0216 3166 LEU 129 CB -0.0156 -0.0032 0.0151 3167 LEU 129 CG -0.0164 -0.0023 0.0120 3168 LEU 129 CD1 -0.0171 -0.0018 0.0102 3169 LEU 129 CD2 -0.0190 -0.0019 0.0116 3170 ALA 130 N -0.0177 -0.0097 0.0178 3171 ALA 130 CA -0.0177 -0.0119 0.0188 3172 ALA 130 C -0.0164 -0.0125 0.0176 3173 ALA 130 O -0.0168 -0.0135 0.0184 3174 ALA 130 CB -0.0174 -0.0142 0.0194 3175 SER 131 N -0.0148 -0.0124 0.0158 3176 SER 131 CA -0.0133 -0.0132 0.0145 3177 SER 131 C -0.0138 -0.0106 0.0139 3178 SER 131 O -0.0136 -0.0118 0.0142 3179 SER 131 CB -0.0112 -0.0128 0.0120 3180 SER 131 OG -0.0108 -0.0150 0.0125 3181 VAL 132 N -0.0146 -0.0084 0.0139 3182 VAL 132 CA -0.0153 -0.0064 0.0138 3183 VAL 132 C -0.0168 -0.0071 0.0157 3184 VAL 132 O -0.0169 -0.0070 0.0157 3185 VAL 132 CB -0.0160 -0.0040 0.0135 3186 VAL 132 CG1 -0.0171 -0.0020 0.0138 3187 VAL 132 CG2 -0.0142 -0.0028 0.0110 3188 SER 133 N -0.0147 -0.0082 0.0082 3189 SER 133 CA -0.0151 -0.0080 0.0102 3190 SER 133 C -0.0151 -0.0099 0.0071 3191 SER 133 O -0.0142 -0.0075 0.0070 3192 SER 133 CB -0.0169 -0.0101 0.0144 3193 SER 133 OG -0.0165 -0.0073 0.0172 3194 THR 134 N -0.0160 -0.0132 0.0052 3195 THR 134 CA -0.0160 -0.0152 0.0018 3196 THR 134 C -0.0141 -0.0127 -0.0020 3197 THR 134 O -0.0135 -0.0118 -0.0031 3198 THR 134 CB -0.0174 -0.0197 0.0003 3199 THR 134 OG1 -0.0190 -0.0221 0.0035 3200 THR 134 CG2 -0.0174 -0.0220 -0.0033 3201 VAL 135 N -0.0132 -0.0111 -0.0034 3202 VAL 135 CA -0.0113 -0.0085 -0.0074 3203 VAL 135 C -0.0103 -0.0047 -0.0054 3204 VAL 135 O -0.0092 -0.0034 -0.0080 3205 VAL 135 CB -0.0103 -0.0071 -0.0095 3206 VAL 135 CG1 -0.0082 -0.0038 -0.0127 3207 VAL 135 CG2 -0.0113 -0.0109 -0.0115 3208 LEU 136 N -0.0097 -0.0045 -0.0041 3209 LEU 136 CA -0.0093 -0.0021 -0.0032 3210 LEU 136 C -0.0095 -0.0024 -0.0023 3211 LEU 136 O -0.0091 -0.0004 -0.0018 3212 LEU 136 CB -0.0094 -0.0013 -0.0012 3213 LEU 136 CG -0.0090 -0.0005 -0.0023 3214 LEU 136 CD1 -0.0091 0.0009 -0.0001 3215 LEU 136 CD2 -0.0083 0.0014 -0.0042 3216 THR 137 N -0.0101 -0.0048 -0.0017 3217 THR 137 CA -0.0103 -0.0049 -0.0004 3218 THR 137 C -0.0103 -0.0063 -0.0027 3219 THR 137 O -0.0105 -0.0066 -0.0019 3220 THR 137 CB -0.0111 -0.0067 0.0020 3221 THR 137 OG1 -0.0114 -0.0088 0.0013 3222 THR 137 CG2 -0.0110 -0.0050 0.0041 3223 SER 138 N -0.0101 -0.0069 -0.0048 3224 SER 138 CA -0.0101 -0.0082 -0.0068 3225 SER 138 C -0.0097 -0.0067 -0.0075 3226 SER 138 O -0.0098 -0.0083 -0.0087 3227 SER 138 CB -0.0094 -0.0071 -0.0099 3228 SER 138 OG -0.0100 -0.0093 -0.0091 3229 LYS 139 N -0.0086 -0.0038 -0.0033 3230 LYS 139 CA -0.0092 -0.0023 -0.0032 3231 LYS 139 C -0.0089 -0.0014 -0.0013 3232 LYS 139 O -0.0093 0.0000 -0.0010 3233 LYS 139 CB -0.0100 -0.0014 -0.0044 3234 LYS 139 CG -0.0103 -0.0023 -0.0062 3235 LYS 139 CD -0.0110 -0.0015 -0.0072 3236 LYS 139 CE -0.0115 -0.0022 -0.0093 3237 LYS 139 NZ -0.0121 -0.0012 -0.0098 3238 TYR 140 N -0.0081 -0.0022 -0.0002 3239 TYR 140 CA -0.0079 -0.0013 0.0014 3240 TYR 140 C -0.0077 -0.0008 0.0023 3241 TYR 140 O -0.0079 0.0005 0.0034 3242 TYR 140 CB -0.0070 -0.0025 0.0024 3243 TYR 140 CG -0.0071 -0.0023 0.0024 3244 TYR 140 CD1 -0.0067 -0.0022 0.0036 3245 TYR 140 CD2 -0.0077 -0.0024 0.0008 3246 TYR 140 CE1 -0.0068 -0.0020 0.0035 3247 TYR 140 CE2 -0.0078 -0.0021 0.0007 3248 TYR 140 CZ -0.0074 -0.0021 0.0020 3249 TYR 140 OH -0.0074 -0.0018 0.0021 3250 ARG 141 N -0.0075 -0.0018 0.0020 3251 ARG 141 CA -0.0073 -0.0014 0.0030 3252 ARG 141 C -0.0075 -0.0018 0.0018 3253 ARG 141 O -0.0075 -0.0029 0.0008 3254 ARG 141 CB -0.0065 -0.0017 0.0048 3255 ARG 141 CG -0.0057 -0.0036 0.0047 3256 ARG 141 CD -0.0050 -0.0036 0.0068 3257 ARG 141 NE -0.0042 -0.0054 0.0068 3258 ARG 141 CZ -0.0034 -0.0061 0.0082 3259 ARG 141 NH1 -0.0032 -0.0053 0.0096 3260 ARG 141 NH2 -0.0029 -0.0078 0.0078 3261 ARG 141 OXT -0.0074 -0.0014 0.0025 3262 VAL 1 N 0.0056 -0.0043 0.0222 3263 VAL 1 CA 0.0033 -0.0032 0.0220 3264 VAL 1 C 0.0022 -0.0030 0.0215 3265 VAL 1 O 0.0033 -0.0041 0.0206 3266 VAL 1 CB 0.0020 -0.0038 0.0202 3267 VAL 1 CG1 0.0024 -0.0037 0.0206 3268 VAL 1 CG2 0.0025 -0.0049 0.0190 3269 HIS 2 N 0.0008 -0.0023 0.0214 3270 HIS 2 CA -0.0006 -0.0019 0.0208 3271 HIS 2 C -0.0019 -0.0026 0.0188 3272 HIS 2 O -0.0036 -0.0015 0.0190 3273 HIS 2 CB -0.0008 -0.0003 0.0231 3274 HIS 2 CG -0.0012 -0.0003 0.0227 3275 HIS 2 ND1 -0.0044 0.0009 0.0219 3276 HIS 2 CD2 -0.0015 -0.0007 0.0218 3277 HIS 2 CE1 -0.0058 0.0007 0.0205 3278 HIS 2 NE2 -0.0036 -0.0003 0.0208 3279 LEU 3 N -0.0013 -0.0035 0.0179 3280 LEU 3 CA -0.0023 -0.0041 0.0163 3281 LEU 3 C -0.0036 -0.0032 0.0166 3282 LEU 3 O -0.0024 -0.0042 0.0161 3283 LEU 3 CB -0.0017 -0.0056 0.0146 3284 LEU 3 CG -0.0012 -0.0057 0.0149 3285 LEU 3 CD1 -0.0007 -0.0071 0.0132 3286 LEU 3 CD2 -0.0025 -0.0053 0.0143 3287 THR 4 N -0.0093 -0.0120 0.0147 3288 THR 4 CA -0.0117 -0.0177 0.0108 3289 THR 4 C -0.0102 -0.0187 0.0037 3290 THR 4 O -0.0077 -0.0132 0.0066 3291 THR 4 CB -0.0178 -0.0248 0.0159 3292 THR 4 OG1 -0.0178 -0.0240 0.0178 3293 THR 4 CG2 -0.0194 -0.0251 0.0206 3294 PRO 5 N -0.0104 -0.0214 -0.0014 3295 PRO 5 CA -0.0070 -0.0183 -0.0061 3296 PRO 5 C -0.0095 -0.0211 -0.0038 3297 PRO 5 O -0.0080 -0.0191 -0.0046 3298 PRO 5 CB -0.0116 -0.0288 -0.0132 3299 PRO 5 CG -0.0123 -0.0298 -0.0128 3300 PRO 5 CD -0.0118 -0.0260 -0.0065 3301 GLU 6 N -0.0138 -0.0252 0.0019 3302 GLU 6 CA -0.0163 -0.0282 0.0037 3303 GLU 6 C -0.0137 -0.0195 0.0134 3304 GLU 6 O -0.0133 -0.0194 0.0125 3305 GLU 6 CB -0.0217 -0.0335 0.0105 3306 GLU 6 CG -0.0233 -0.0355 0.0115 3307 GLU 6 CD -0.0247 -0.0412 0.0044 3308 GLU 6 OE1 -0.0226 -0.0389 0.0021 3309 GLU 6 OE2 -0.0207 -0.0327 0.0091 3310 GLU 7 N -0.0106 -0.0092 0.0113 3311 GLU 7 CA -0.0089 -0.0079 0.0130 3312 GLU 7 C -0.0059 -0.0072 0.0111 3313 GLU 7 O -0.0050 -0.0068 0.0109 3314 GLU 7 CB -0.0085 -0.0070 0.0156 3315 GLU 7 CG -0.0117 -0.0078 0.0177 3316 GLU 7 CD -0.0115 -0.0071 0.0197 3317 GLU 7 OE1 -0.0125 -0.0069 0.0219 3318 GLU 7 OE2 -0.0098 -0.0061 0.0206 3319 LYS 8 N -0.0053 -0.0071 0.0103 3320 LYS 8 CA -0.0022 -0.0063 0.0087 3321 LYS 8 C -0.0018 -0.0068 0.0064 3322 LYS 8 O -0.0005 -0.0064 0.0056 3323 LYS 8 CB -0.0024 -0.0066 0.0079 3324 LYS 8 CG 0.0010 -0.0053 0.0071 3325 LYS 8 CD 0.0019 -0.0050 0.0069 3326 LYS 8 CE 0.0053 -0.0042 0.0044 3327 LYS 8 NZ 0.0070 -0.0035 0.0044 3328 SER 9 N -0.0040 -0.0081 0.0049 3329 SER 9 CA -0.0038 -0.0086 0.0029 3330 SER 9 C -0.0041 -0.0085 0.0036 3331 SER 9 O -0.0030 -0.0086 0.0017 3332 SER 9 CB -0.0056 -0.0100 0.0008 3333 SER 9 OG -0.0073 -0.0110 -0.0002 3334 ALA 10 N -0.0018 -0.0044 0.0084 3335 ALA 10 CA -0.0007 -0.0040 0.0087 3336 ALA 10 C 0.0004 -0.0036 0.0091 3337 ALA 10 O 0.0013 -0.0028 0.0089 3338 ALA 10 CB -0.0005 -0.0049 0.0096 3339 VAL 11 N 0.0003 -0.0040 0.0093 3340 VAL 11 CA 0.0013 -0.0036 0.0097 3341 VAL 11 C 0.0015 -0.0026 0.0089 3342 VAL 11 O 0.0025 -0.0020 0.0090 3343 VAL 11 CB 0.0009 -0.0044 0.0101 3344 VAL 11 CG1 0.0016 -0.0040 0.0102 3345 VAL 11 CG2 0.0011 -0.0055 0.0111 3346 THR 12 N 0.0004 -0.0025 0.0081 3347 THR 12 CA 0.0005 -0.0013 0.0072 3348 THR 12 C 0.0009 -0.0006 0.0068 3349 THR 12 O 0.0018 0.0004 0.0065 3350 THR 12 CB -0.0011 -0.0016 0.0064 3351 THR 12 OG1 -0.0010 -0.0021 0.0069 3352 THR 12 CG2 -0.0008 -0.0005 0.0056 3353 ALA 13 N 0.0024 0.0028 0.0079 3354 ALA 13 CA 0.0030 0.0038 0.0076 3355 ALA 13 C 0.0037 0.0034 0.0067 3356 ALA 13 O 0.0038 0.0035 0.0066 3357 ALA 13 CB 0.0033 0.0048 0.0075 3358 LEU 14 N 0.0043 0.0026 0.0060 3359 LEU 14 CA 0.0049 0.0022 0.0052 3360 LEU 14 C 0.0046 0.0011 0.0053 3361 LEU 14 O 0.0051 0.0010 0.0049 3362 LEU 14 CB 0.0057 0.0018 0.0044 3363 LEU 14 CG 0.0066 0.0014 0.0034 3364 LEU 14 CD1 0.0072 0.0028 0.0031 3365 LEU 14 CD2 0.0070 0.0007 0.0028 3366 TRP 15 N 0.0039 0.0004 0.0059 3367 TRP 15 CA 0.0036 -0.0009 0.0059 3368 TRP 15 C 0.0031 -0.0005 0.0065 3369 TRP 15 O 0.0032 -0.0011 0.0063 3370 TRP 15 CB 0.0029 -0.0017 0.0065 3371 TRP 15 CG 0.0027 -0.0030 0.0064 3372 TRP 15 CD1 0.0020 -0.0036 0.0070 3373 TRP 15 CD2 0.0034 -0.0040 0.0055 3374 TRP 15 NE1 0.0021 -0.0048 0.0067 3375 TRP 15 CE2 0.0030 -0.0053 0.0057 3376 TRP 15 CE3 0.0042 -0.0040 0.0047 3377 TRP 15 CZ2 0.0034 -0.0063 0.0050 3378 TRP 15 CZ3 0.0046 -0.0052 0.0040 3379 TRP 15 CH2 0.0041 -0.0063 0.0043 3380 GLY 16 N 0.0040 0.0025 0.0071 3381 GLY 16 CA 0.0037 0.0029 0.0075 3382 GLY 16 C 0.0045 0.0032 0.0067 3383 GLY 16 O 0.0043 0.0033 0.0069 3384 LYS 17 N 0.0056 0.0034 0.0057 3385 LYS 17 CA 0.0065 0.0039 0.0048 3386 LYS 17 C 0.0070 0.0028 0.0041 3387 LYS 17 O 0.0078 0.0022 0.0032 3388 LYS 17 CB 0.0075 0.0050 0.0041 3389 LYS 17 CG 0.0070 0.0062 0.0048 3390 LYS 17 CD 0.0080 0.0069 0.0040 3391 LYS 17 CE 0.0083 0.0079 0.0038 3392 LYS 17 NZ 0.0095 0.0089 0.0028 3393 VAL 18 N 0.0066 0.0012 0.0042 3394 VAL 18 CA 0.0071 -0.0004 0.0034 3395 VAL 18 C 0.0067 -0.0010 0.0037 3396 VAL 18 O 0.0057 -0.0010 0.0047 3397 VAL 18 CB 0.0069 -0.0013 0.0035 3398 VAL 18 CG1 0.0070 -0.0027 0.0031 3399 VAL 18 CG2 0.0075 -0.0007 0.0030 3400 ASN 19 N 0.0075 -0.0000 0.0051 3401 ASN 19 CA 0.0058 -0.0008 0.0051 3402 ASN 19 C 0.0051 -0.0014 0.0040 3403 ASN 19 O 0.0052 -0.0016 0.0024 3404 ASN 19 CB 0.0055 -0.0010 0.0056 3405 ASN 19 CG 0.0037 -0.0017 0.0068 3406 ASN 19 OD1 0.0025 -0.0025 0.0053 3407 ASN 19 ND2 0.0031 -0.0020 0.0067 3408 VAL 20 N 0.0044 -0.0017 0.0039 3409 VAL 20 CA 0.0037 -0.0024 0.0021 3410 VAL 20 C 0.0031 -0.0028 0.0012 3411 VAL 20 O 0.0027 -0.0033 -0.0004 3412 VAL 20 CB 0.0035 -0.0024 0.0025 3413 VAL 20 CG1 0.0047 -0.0017 0.0030 3414 VAL 20 CG2 0.0025 -0.0031 0.0017 3415 ASP 21 N 0.0018 -0.0033 0.0022 3416 ASP 21 CA 0.0010 -0.0038 0.0014 3417 ASP 21 C 0.0012 -0.0038 0.0008 3418 ASP 21 O 0.0010 -0.0042 -0.0011 3419 ASP 21 CB -0.0003 -0.0043 0.0028 3420 ASP 21 CG -0.0012 -0.0045 0.0041 3421 ASP 21 OD1 -0.0016 -0.0048 0.0034 3422 ASP 21 OD2 -0.0024 -0.0051 0.0046 3423 GLU 22 N 0.0022 -0.0028 -0.0007 3424 GLU 22 CA 0.0025 -0.0027 -0.0011 3425 GLU 22 C 0.0033 -0.0022 -0.0028 3426 GLU 22 O 0.0033 -0.0021 -0.0035 3427 GLU 22 CB 0.0031 -0.0026 0.0001 3428 GLU 22 CG 0.0037 -0.0024 -0.0001 3429 GLU 22 CD 0.0046 -0.0022 0.0008 3430 GLU 22 OE1 0.0058 -0.0019 0.0017 3431 GLU 22 OE2 0.0035 -0.0026 0.0012 3432 VAL 23 N 0.0045 -0.0019 -0.0025 3433 VAL 23 CA 0.0054 -0.0014 -0.0037 3434 VAL 23 C 0.0046 -0.0015 -0.0050 3435 VAL 23 O 0.0048 -0.0013 -0.0062 3436 VAL 23 CB 0.0067 -0.0010 -0.0033 3437 VAL 23 CG1 0.0073 -0.0007 -0.0045 3438 VAL 23 CG2 0.0074 -0.0009 -0.0023 3439 GLY 24 N 0.0039 -0.0018 -0.0048 3440 GLY 24 CA 0.0032 -0.0019 -0.0058 3441 GLY 24 C 0.0023 -0.0021 -0.0065 3442 GLY 24 O 0.0021 -0.0020 -0.0079 3443 GLY 25 N -0.0011 0.0011 -0.0070 3444 GLY 25 CA -0.0011 0.0009 -0.0073 3445 GLY 25 C -0.0004 0.0010 -0.0076 3446 GLY 25 O -0.0004 0.0006 -0.0083 3447 GLU 26 N 0.0003 0.0013 -0.0073 3448 GLU 26 CA 0.0010 0.0014 -0.0077 3449 GLU 26 C 0.0013 0.0010 -0.0085 3450 GLU 26 O 0.0016 0.0009 -0.0090 3451 GLU 26 CB 0.0018 0.0019 -0.0072 3452 GLU 26 CG 0.0021 0.0021 -0.0069 3453 GLU 26 CD 0.0026 0.0019 -0.0075 3454 GLU 26 OE1 0.0031 0.0021 -0.0076 3455 GLU 26 OE2 0.0030 0.0025 -0.0067 3456 ALA 27 N 0.0012 0.0010 -0.0084 3457 ALA 27 CA 0.0014 0.0007 -0.0091 3458 ALA 27 C 0.0010 0.0003 -0.0098 3459 ALA 27 O 0.0013 0.0000 -0.0104 3460 ALA 27 CB 0.0014 0.0008 -0.0089 3461 LEU 28 N -0.0015 0.0030 -0.0109 3462 LEU 28 CA -0.0022 0.0030 -0.0115 3463 LEU 28 C -0.0021 0.0030 -0.0114 3464 LEU 28 O -0.0022 0.0028 -0.0121 3465 LEU 28 CB -0.0032 0.0032 -0.0114 3466 LEU 28 CG -0.0040 0.0031 -0.0123 3467 LEU 28 CD1 -0.0035 0.0027 -0.0132 3468 LEU 28 CD2 -0.0049 0.0034 -0.0121 3469 GLY 29 N -0.0021 0.0033 -0.0105 3470 GLY 29 CA -0.0020 0.0033 -0.0102 3471 GLY 29 C -0.0011 0.0030 -0.0107 3472 GLY 29 O -0.0012 0.0029 -0.0111 3473 ARG 30 N -0.0003 0.0029 -0.0105 3474 ARG 30 CA 0.0005 0.0026 -0.0108 3475 ARG 30 C 0.0005 0.0022 -0.0119 3476 ARG 30 O 0.0009 0.0021 -0.0123 3477 ARG 30 CB 0.0014 0.0025 -0.0103 3478 ARG 30 CG 0.0018 0.0028 -0.0093 3479 ARG 30 CD 0.0025 0.0027 -0.0089 3480 ARG 30 NE 0.0028 0.0029 -0.0080 3481 ARG 30 CZ 0.0034 0.0029 -0.0076 3482 ARG 30 NH1 0.0037 0.0031 -0.0067 3483 ARG 30 NH2 0.0042 0.0026 -0.0081 3484 LEU 31 N -0.0027 0.0042 -0.0107 3485 LEU 31 CA -0.0028 0.0037 -0.0107 3486 LEU 31 C -0.0023 0.0036 -0.0103 3487 LEU 31 O -0.0022 0.0032 -0.0101 3488 LEU 31 CB -0.0034 0.0036 -0.0111 3489 LEU 31 CG -0.0036 0.0031 -0.0111 3490 LEU 31 CD1 -0.0038 0.0024 -0.0111 3491 LEU 31 CD2 -0.0040 0.0033 -0.0115 3492 LEU 32 N -0.0023 0.0043 -0.0104 3493 LEU 32 CA -0.0019 0.0044 -0.0101 3494 LEU 32 C -0.0013 0.0043 -0.0096 3495 LEU 32 O -0.0009 0.0041 -0.0093 3496 LEU 32 CB -0.0019 0.0051 -0.0102 3497 LEU 32 CG -0.0024 0.0051 -0.0106 3498 LEU 32 CD1 -0.0024 0.0059 -0.0108 3499 LEU 32 CD2 -0.0026 0.0047 -0.0107 3500 VAL 33 N -0.0012 0.0044 -0.0095 3501 VAL 33 CA -0.0006 0.0044 -0.0091 3502 VAL 33 C -0.0006 0.0036 -0.0089 3503 VAL 33 O -0.0002 0.0034 -0.0085 3504 VAL 33 CB -0.0005 0.0048 -0.0091 3505 VAL 33 CG1 -0.0000 0.0046 -0.0087 3506 VAL 33 CG2 -0.0005 0.0056 -0.0092 3507 VAL 34 N -0.0009 0.0041 -0.0057 3508 VAL 34 CA -0.0008 0.0029 -0.0054 3509 VAL 34 C -0.0008 0.0021 -0.0053 3510 VAL 34 O -0.0006 0.0012 -0.0048 3511 VAL 34 CB -0.0013 0.0024 -0.0059 3512 VAL 34 CG1 -0.0014 0.0011 -0.0057 3513 VAL 34 CG2 -0.0011 0.0031 -0.0057 3514 TYR 35 N -0.0015 0.0024 -0.0060 3515 TYR 35 CA -0.0017 0.0017 -0.0061 3516 TYR 35 C -0.0015 0.0027 -0.0062 3517 TYR 35 O -0.0022 0.0029 -0.0069 3518 TYR 35 CB -0.0025 0.0012 -0.0070 3519 TYR 35 CG -0.0028 0.0005 -0.0072 3520 TYR 35 CD1 -0.0024 -0.0005 -0.0066 3521 TYR 35 CD2 -0.0032 0.0008 -0.0077 3522 TYR 35 CE1 -0.0026 -0.0014 -0.0066 3523 TYR 35 CE2 -0.0033 0.0000 -0.0077 3524 TYR 35 CZ -0.0031 -0.0010 -0.0072 3525 TYR 35 OH -0.0032 -0.0016 -0.0073 3526 PRO 36 N -0.0008 0.0029 -0.0054 3527 PRO 36 CA -0.0006 0.0040 -0.0054 3528 PRO 36 C -0.0010 0.0038 -0.0057 3529 PRO 36 O -0.0011 0.0047 -0.0060 3530 PRO 36 CB 0.0003 0.0043 -0.0044 3531 PRO 36 CG 0.0005 0.0031 -0.0039 3532 PRO 36 CD -0.0001 0.0026 -0.0045 3533 TRP 37 N -0.0018 0.0021 -0.0049 3534 TRP 37 CA -0.0018 0.0018 -0.0047 3535 TRP 37 C -0.0024 0.0022 -0.0055 3536 TRP 37 O -0.0023 0.0023 -0.0055 3537 TRP 37 CB -0.0023 0.0008 -0.0041 3538 TRP 37 CG -0.0033 0.0002 -0.0044 3539 TRP 37 CD1 -0.0042 -0.0000 -0.0049 3540 TRP 37 CD2 -0.0035 -0.0002 -0.0042 3541 TRP 37 NE1 -0.0049 -0.0005 -0.0049 3542 TRP 37 CE2 -0.0045 -0.0005 -0.0046 3543 TRP 37 CE3 -0.0028 -0.0000 -0.0038 3544 TRP 37 CZ2 -0.0050 -0.0010 -0.0045 3545 TRP 37 CZ3 -0.0032 -0.0004 -0.0038 3546 TRP 37 CH2 -0.0043 -0.0009 -0.0041 3547 THR 38 N -0.0031 0.0025 -0.0062 3548 THR 38 CA -0.0036 0.0029 -0.0071 3549 THR 38 C -0.0029 0.0039 -0.0074 3550 THR 38 O -0.0033 0.0043 -0.0080 3551 THR 38 CB -0.0044 0.0032 -0.0078 3552 THR 38 OG1 -0.0039 0.0037 -0.0080 3553 THR 38 CG2 -0.0051 0.0022 -0.0076 3554 GLN 39 N -0.0019 0.0043 -0.0070 3555 GLN 39 CA -0.0013 0.0052 -0.0073 3556 GLN 39 C -0.0010 0.0051 -0.0070 3557 GLN 39 O -0.0007 0.0057 -0.0073 3558 GLN 39 CB -0.0003 0.0054 -0.0068 3559 GLN 39 CG -0.0005 0.0056 -0.0071 3560 GLN 39 CD 0.0004 0.0059 -0.0067 3561 GLN 39 OE1 0.0014 0.0060 -0.0061 3562 GLN 39 NE2 0.0003 0.0059 -0.0067 3563 ARG 40 N -0.0019 0.0029 -0.0048 3564 ARG 40 CA -0.0011 0.0026 -0.0035 3565 ARG 40 C -0.0010 0.0032 -0.0048 3566 ARG 40 O 0.0003 0.0034 -0.0042 3567 ARG 40 CB -0.0025 0.0017 -0.0023 3568 ARG 40 CG -0.0039 0.0013 -0.0025 3569 ARG 40 CD -0.0047 0.0002 -0.0007 3570 ARG 40 NE -0.0039 -0.0001 0.0008 3571 ARG 40 CZ -0.0034 0.0000 0.0009 3572 ARG 40 NH1 -0.0044 -0.0000 0.0001 3573 ARG 40 NH2 -0.0026 -0.0005 0.0027 3574 PHE 41 N -0.0021 0.0034 -0.0063 3575 PHE 41 CA -0.0022 0.0038 -0.0073 3576 PHE 41 C -0.0007 0.0050 -0.0090 3577 PHE 41 O -0.0009 0.0053 -0.0098 3578 PHE 41 CB -0.0040 0.0036 -0.0083 3579 PHE 41 CG -0.0054 0.0025 -0.0067 3580 PHE 41 CD1 -0.0065 0.0020 -0.0064 3581 PHE 41 CD2 -0.0053 0.0021 -0.0057 3582 PHE 41 CE1 -0.0075 0.0011 -0.0051 3583 PHE 41 CE2 -0.0062 0.0012 -0.0042 3584 PHE 41 CZ -0.0075 0.0007 -0.0041 3585 PHE 42 N -0.0000 0.0052 -0.0090 3586 PHE 42 CA 0.0006 0.0062 -0.0107 3587 PHE 42 C 0.0026 0.0067 -0.0105 3588 PHE 42 O 0.0034 0.0073 -0.0112 3589 PHE 42 CB -0.0004 0.0063 -0.0118 3590 PHE 42 CG -0.0023 0.0060 -0.0126 3591 PHE 42 CD1 -0.0039 0.0050 -0.0115 3592 PHE 42 CD2 -0.0027 0.0064 -0.0139 3593 PHE 42 CE1 -0.0056 0.0047 -0.0123 3594 PHE 42 CE2 -0.0043 0.0060 -0.0142 3595 PHE 42 CZ -0.0059 0.0051 -0.0134 3596 GLU 43 N -0.0047 0.0107 -0.0100 3597 GLU 43 CA -0.0044 0.0118 -0.0085 3598 GLU 43 C -0.0038 0.0136 -0.0090 3599 GLU 43 O -0.0038 0.0141 -0.0079 3600 GLU 43 CB -0.0042 0.0128 -0.0082 3601 GLU 43 CG -0.0040 0.0133 -0.0082 3602 GLU 43 CD -0.0046 0.0121 -0.0064 3603 GLU 43 OE1 -0.0047 0.0121 -0.0047 3604 GLU 43 OE2 -0.0048 0.0119 -0.0052 3605 SER 44 N -0.0037 0.0136 -0.0107 3606 SER 44 CA -0.0032 0.0149 -0.0118 3607 SER 44 C -0.0034 0.0142 -0.0117 3608 SER 44 O -0.0032 0.0148 -0.0123 3609 SER 44 CB -0.0030 0.0151 -0.0134 3610 SER 44 OG -0.0032 0.0141 -0.0146 3611 PHE 45 N -0.0039 0.0126 -0.0112 3612 PHE 45 CA -0.0042 0.0118 -0.0116 3613 PHE 45 C -0.0042 0.0124 -0.0099 3614 PHE 45 O -0.0043 0.0116 -0.0106 3615 PHE 45 CB -0.0047 0.0099 -0.0116 3616 PHE 45 CG -0.0047 0.0095 -0.0134 3617 PHE 45 CD1 -0.0052 0.0078 -0.0138 3618 PHE 45 CD2 -0.0044 0.0101 -0.0146 3619 PHE 45 CE1 -0.0052 0.0072 -0.0157 3620 PHE 45 CE2 -0.0044 0.0096 -0.0162 3621 PHE 45 CZ -0.0048 0.0082 -0.0169 3622 GLY 46 N -0.0061 0.0097 -0.0136 3623 GLY 46 CA -0.0067 0.0094 -0.0132 3624 GLY 46 C -0.0070 0.0095 -0.0133 3625 GLY 46 O -0.0066 0.0100 -0.0140 3626 ASP 47 N -0.0069 0.0090 -0.0126 3627 ASP 47 CA -0.0076 0.0095 -0.0132 3628 ASP 47 C -0.0061 0.0092 -0.0129 3629 ASP 47 O -0.0058 0.0087 -0.0123 3630 ASP 47 CB -0.0078 0.0088 -0.0122 3631 ASP 47 CG -0.0080 0.0088 -0.0123 3632 ASP 47 OD1 -0.0081 0.0083 -0.0116 3633 ASP 47 OD2 -0.0081 0.0093 -0.0129 3634 LEU 48 N -0.0061 0.0096 -0.0135 3635 LEU 48 CA -0.0050 0.0097 -0.0137 3636 LEU 48 C -0.0052 0.0098 -0.0138 3637 LEU 48 O -0.0046 0.0101 -0.0143 3638 LEU 48 CB -0.0047 0.0101 -0.0143 3639 LEU 48 CG -0.0044 0.0099 -0.0140 3640 LEU 48 CD1 -0.0038 0.0104 -0.0148 3641 LEU 48 CD2 -0.0039 0.0093 -0.0133 3642 SER 49 N -0.0084 0.0106 -0.0170 3643 SER 49 CA -0.0088 0.0112 -0.0183 3644 SER 49 C -0.0080 0.0105 -0.0170 3645 SER 49 O -0.0067 0.0110 -0.0181 3646 SER 49 CB -0.0112 0.0113 -0.0180 3647 SER 49 OG -0.0118 0.0104 -0.0160 3648 THR 50 N -0.0075 0.0097 -0.0153 3649 THR 50 CA -0.0055 0.0095 -0.0151 3650 THR 50 C -0.0039 0.0085 -0.0134 3651 THR 50 O -0.0041 0.0084 -0.0130 3652 THR 50 CB -0.0072 0.0085 -0.0127 3653 THR 50 OG1 -0.0077 0.0077 -0.0109 3654 THR 50 CG2 -0.0090 0.0090 -0.0136 3655 PRO 51 N -0.0024 0.0081 -0.0128 3656 PRO 51 CA -0.0008 0.0075 -0.0118 3657 PRO 51 C -0.0011 0.0068 -0.0101 3658 PRO 51 O -0.0003 0.0064 -0.0095 3659 PRO 51 CB 0.0006 0.0072 -0.0113 3660 PRO 51 CG 0.0003 0.0080 -0.0130 3661 PRO 51 CD -0.0023 0.0085 -0.0135 3662 ASP 52 N -0.0035 0.0068 -0.0106 3663 ASP 52 CA -0.0036 0.0064 -0.0096 3664 ASP 52 C -0.0042 0.0066 -0.0099 3665 ASP 52 O -0.0041 0.0063 -0.0094 3666 ASP 52 CB -0.0042 0.0063 -0.0094 3667 ASP 52 CG -0.0038 0.0062 -0.0090 3668 ASP 52 OD1 -0.0030 0.0062 -0.0090 3669 ASP 52 OD2 -0.0039 0.0068 -0.0105 3670 ALA 53 N -0.0048 0.0068 -0.0105 3671 ALA 53 CA -0.0054 0.0069 -0.0108 3672 ALA 53 C -0.0048 0.0069 -0.0110 3673 ALA 53 O -0.0047 0.0069 -0.0107 3674 ALA 53 CB -0.0059 0.0071 -0.0114 3675 VAL 54 N -0.0041 0.0072 -0.0117 3676 VAL 54 CA -0.0033 0.0073 -0.0118 3677 VAL 54 C -0.0028 0.0070 -0.0111 3678 VAL 54 O -0.0028 0.0069 -0.0108 3679 VAL 54 CB -0.0027 0.0076 -0.0125 3680 VAL 54 CG1 -0.0020 0.0076 -0.0126 3681 VAL 54 CG2 -0.0031 0.0079 -0.0132 3682 MET 55 N -0.0024 0.0060 -0.0101 3683 MET 55 CA -0.0018 0.0057 -0.0095 3684 MET 55 C -0.0027 0.0058 -0.0085 3685 MET 55 O -0.0022 0.0056 -0.0084 3686 MET 55 CB -0.0010 0.0053 -0.0088 3687 MET 55 CG -0.0004 0.0052 -0.0094 3688 MET 55 SD 0.0006 0.0052 -0.0106 3689 MET 55 CE 0.0012 0.0048 -0.0099 3690 GLY 56 N -0.0035 0.0060 -0.0085 3691 GLY 56 CA -0.0039 0.0060 -0.0078 3692 GLY 56 C -0.0047 0.0064 -0.0083 3693 GLY 56 O -0.0055 0.0066 -0.0080 3694 ASN 57 N -0.0050 0.0067 -0.0095 3695 ASN 57 CA -0.0056 0.0070 -0.0101 3696 ASN 57 C -0.0053 0.0069 -0.0101 3697 ASN 57 O -0.0045 0.0067 -0.0103 3698 ASN 57 CB -0.0056 0.0073 -0.0112 3699 ASN 57 CG -0.0063 0.0076 -0.0119 3700 ASN 57 OD1 -0.0064 0.0077 -0.0121 3701 ASN 57 ND2 -0.0067 0.0079 -0.0125 3702 PRO 58 N -0.0066 0.0065 -0.0088 3703 PRO 58 CA -0.0062 0.0063 -0.0096 3704 PRO 58 C -0.0059 0.0067 -0.0111 3705 PRO 58 O -0.0054 0.0060 -0.0119 3706 PRO 58 CB -0.0067 0.0074 -0.0096 3707 PRO 58 CG -0.0072 0.0076 -0.0084 3708 PRO 58 CD -0.0073 0.0077 -0.0082 3709 LYS 59 N -0.0062 0.0074 -0.0114 3710 LYS 59 CA -0.0059 0.0076 -0.0125 3711 LYS 59 C -0.0052 0.0064 -0.0131 3712 LYS 59 O -0.0048 0.0063 -0.0142 3713 LYS 59 CB -0.0063 0.0087 -0.0128 3714 LYS 59 CG -0.0068 0.0099 -0.0129 3715 LYS 59 CD -0.0071 0.0105 -0.0127 3716 LYS 59 CE -0.0075 0.0120 -0.0137 3717 LYS 59 NZ -0.0081 0.0128 -0.0127 3718 VAL 60 N -0.0053 0.0059 -0.0119 3719 VAL 60 CA -0.0047 0.0046 -0.0122 3720 VAL 60 C -0.0042 0.0039 -0.0126 3721 VAL 60 O -0.0036 0.0031 -0.0134 3722 VAL 60 CB -0.0049 0.0043 -0.0111 3723 VAL 60 CG1 -0.0042 0.0029 -0.0113 3724 VAL 60 CG2 -0.0053 0.0052 -0.0109 3725 LYS 61 N -0.0045 0.0026 -0.0096 3726 LYS 61 CA -0.0044 0.0031 -0.0086 3727 LYS 61 C -0.0053 0.0031 -0.0087 3728 LYS 61 O -0.0050 0.0031 -0.0087 3729 LYS 61 CB -0.0044 0.0038 -0.0074 3730 LYS 61 CG -0.0033 0.0038 -0.0072 3731 LYS 61 CD -0.0037 0.0043 -0.0063 3732 LYS 61 CE -0.0024 0.0046 -0.0055 3733 LYS 61 NZ -0.0028 0.0051 -0.0046 3734 ALA 62 N -0.0065 0.0030 -0.0090 3735 ALA 62 CA -0.0076 0.0030 -0.0091 3736 ALA 62 C -0.0074 0.0025 -0.0100 3737 ALA 62 O -0.0074 0.0026 -0.0099 3738 ALA 62 CB -0.0088 0.0030 -0.0092 3739 HIS 63 N -0.0070 0.0020 -0.0110 3740 HIS 63 CA -0.0068 0.0015 -0.0120 3741 HIS 63 C -0.0054 0.0015 -0.0119 3742 HIS 63 O -0.0055 0.0013 -0.0124 3743 HIS 63 CB -0.0068 0.0010 -0.0130 3744 HIS 63 CG -0.0069 0.0003 -0.0144 3745 HIS 63 ND1 -0.0079 0.0003 -0.0145 3746 HIS 63 CD2 -0.0057 -0.0001 -0.0150 3747 HIS 63 CE1 -0.0072 -0.0003 -0.0156 3748 HIS 63 NE2 -0.0064 -0.0005 -0.0159 3749 GLY 64 N -0.0029 -0.0033 -0.0098 3750 GLY 64 CA -0.0013 -0.0023 -0.0094 3751 GLY 64 C -0.0014 -0.0013 -0.0076 3752 GLY 64 O -0.0010 -0.0010 -0.0075 3753 LYS 65 N -0.0029 -0.0011 -0.0062 3754 LYS 65 CA -0.0035 -0.0004 -0.0045 3755 LYS 65 C -0.0046 -0.0010 -0.0047 3756 LYS 65 O -0.0043 -0.0004 -0.0039 3757 LYS 65 CB -0.0047 -0.0002 -0.0032 3758 LYS 65 CG -0.0052 0.0005 -0.0016 3759 LYS 65 CD -0.0072 0.0002 -0.0005 3760 LYS 65 CE -0.0083 0.0008 0.0013 3761 LYS 65 NZ -0.0090 0.0013 0.0027 3762 LYS 66 N -0.0059 -0.0023 -0.0058 3763 LYS 66 CA -0.0071 -0.0031 -0.0061 3764 LYS 66 C -0.0055 -0.0027 -0.0068 3765 LYS 66 O -0.0058 -0.0026 -0.0065 3766 LYS 66 CB -0.0084 -0.0043 -0.0072 3767 LYS 66 CG -0.0096 -0.0052 -0.0079 3768 LYS 66 CD -0.0122 -0.0063 -0.0077 3769 LYS 66 CE -0.0136 -0.0066 -0.0071 3770 LYS 66 NZ -0.0154 -0.0084 -0.0087 3771 VAL 67 N -0.0079 -0.0092 -0.0061 3772 VAL 67 CA -0.0057 -0.0082 -0.0074 3773 VAL 67 C -0.0037 -0.0075 -0.0060 3774 VAL 67 O -0.0022 -0.0069 -0.0060 3775 VAL 67 CB -0.0062 -0.0081 -0.0101 3776 VAL 67 CG1 -0.0034 -0.0069 -0.0108 3777 VAL 67 CG2 -0.0084 -0.0088 -0.0116 3778 LEU 68 N -0.0032 -0.0075 -0.0044 3779 LEU 68 CA -0.0010 -0.0067 -0.0031 3780 LEU 68 C -0.0007 -0.0068 -0.0007 3781 LEU 68 O 0.0011 -0.0062 0.0002 3782 LEU 68 CB -0.0001 -0.0065 -0.0018 3783 LEU 68 CG 0.0018 -0.0057 -0.0024 3784 LEU 68 CD1 0.0034 -0.0049 -0.0040 3785 LEU 68 CD2 0.0021 -0.0056 -0.0015 3786 GLY 69 N -0.0030 -0.0078 0.0002 3787 GLY 69 CA -0.0031 -0.0080 0.0019 3788 GLY 69 C -0.0022 -0.0076 0.0012 3789 GLY 69 O -0.0007 -0.0071 0.0023 3790 ALA 70 N -0.0087 -0.0117 0.0043 3791 ALA 70 CA -0.0081 -0.0114 0.0034 3792 ALA 70 C -0.0063 -0.0106 0.0031 3793 ALA 70 O -0.0050 -0.0102 0.0032 3794 ALA 70 CB -0.0093 -0.0117 0.0017 3795 PHE 71 N -0.0057 -0.0104 0.0025 3796 PHE 71 CA -0.0036 -0.0095 0.0022 3797 PHE 71 C -0.0026 -0.0093 0.0041 3798 PHE 71 O -0.0014 -0.0088 0.0040 3799 PHE 71 CB -0.0035 -0.0094 0.0013 3800 PHE 71 CG -0.0015 -0.0087 0.0011 3801 PHE 71 CD1 -0.0011 -0.0083 -0.0009 3802 PHE 71 CD2 -0.0008 -0.0085 0.0029 3803 PHE 71 CE1 0.0008 -0.0076 -0.0010 3804 PHE 71 CE2 0.0011 -0.0077 0.0022 3805 PHE 71 CZ 0.0018 -0.0073 0.0003 3806 SER 72 N -0.0034 -0.0098 0.0057 3807 SER 72 CA -0.0029 -0.0097 0.0075 3808 SER 72 C -0.0021 -0.0094 0.0078 3809 SER 72 O -0.0006 -0.0089 0.0086 3810 SER 72 CB -0.0030 -0.0099 0.0096 3811 SER 72 OG -0.0036 -0.0101 0.0088 3812 ASP 73 N -0.0041 -0.0128 0.0138 3813 ASP 73 CA -0.0041 -0.0128 0.0142 3814 ASP 73 C -0.0031 -0.0121 0.0139 3815 ASP 73 O -0.0020 -0.0113 0.0148 3816 ASP 73 CB -0.0063 -0.0144 0.0144 3817 ASP 73 CG -0.0066 -0.0146 0.0159 3818 ASP 73 OD1 -0.0076 -0.0153 0.0169 3819 ASP 73 OD2 -0.0096 -0.0167 0.0147 3820 GLY 74 N -0.0021 -0.0114 0.0115 3821 GLY 74 CA -0.0007 -0.0105 0.0107 3822 GLY 74 C 0.0013 -0.0091 0.0112 3823 GLY 74 O 0.0026 -0.0081 0.0113 3824 LEU 75 N 0.0013 -0.0090 0.0121 3825 LEU 75 CA 0.0030 -0.0078 0.0132 3826 LEU 75 C 0.0036 -0.0074 0.0151 3827 LEU 75 O 0.0050 -0.0064 0.0158 3828 LEU 75 CB 0.0031 -0.0077 0.0133 3829 LEU 75 CG 0.0036 -0.0074 0.0115 3830 LEU 75 CD1 0.0043 -0.0069 0.0098 3831 LEU 75 CD2 0.0031 -0.0078 0.0109 3832 ALA 76 N 0.0045 -0.0115 0.0202 3833 ALA 76 CA 0.0048 -0.0117 0.0225 3834 ALA 76 C 0.0052 -0.0113 0.0214 3835 ALA 76 O 0.0063 -0.0107 0.0228 3836 ALA 76 CB 0.0032 -0.0129 0.0228 3837 HIS 77 N 0.0056 -0.0106 0.0194 3838 HIS 77 CA 0.0062 -0.0101 0.0190 3839 HIS 77 C 0.0068 -0.0092 0.0166 3840 HIS 77 O 0.0068 -0.0089 0.0150 3841 HIS 77 CB 0.0045 -0.0111 0.0182 3842 HIS 77 CG 0.0034 -0.0122 0.0199 3843 HIS 77 ND1 0.0020 -0.0132 0.0198 3844 HIS 77 CD2 0.0037 -0.0123 0.0212 3845 HIS 77 CE1 0.0011 -0.0143 0.0224 3846 HIS 77 NE2 0.0022 -0.0136 0.0229 3847 LEU 78 N 0.0084 -0.0081 0.0168 3848 LEU 78 CA 0.0096 -0.0071 0.0155 3849 LEU 78 C 0.0105 -0.0062 0.0141 3850 LEU 78 O 0.0110 -0.0055 0.0127 3851 LEU 78 CB 0.0106 -0.0064 0.0155 3852 LEU 78 CG 0.0098 -0.0067 0.0143 3853 LEU 78 CD1 0.0110 -0.0062 0.0160 3854 LEU 78 CD2 0.0091 -0.0070 0.0131 3855 ASP 79 N 0.0163 -0.0080 0.0156 3856 ASP 79 CA 0.0189 -0.0065 0.0124 3857 ASP 79 C 0.0163 -0.0064 0.0097 3858 ASP 79 O 0.0174 -0.0052 0.0064 3859 ASP 79 CB 0.0204 -0.0071 0.0160 3860 ASP 79 CG 0.0218 -0.0077 0.0192 3861 ASP 79 OD1 0.0263 -0.0074 0.0222 3862 ASP 79 OD2 0.0267 -0.0057 0.0163 3863 ASN 80 N 0.0123 -0.0077 0.0109 3864 ASN 80 CA 0.0094 -0.0072 0.0066 3865 ASN 80 C 0.0043 -0.0085 0.0066 3866 ASN 80 O 0.0016 -0.0090 0.0061 3867 ASN 80 CB 0.0085 -0.0077 0.0077 3868 ASN 80 CG 0.0072 -0.0084 0.0088 3869 ASN 80 OD1 0.0058 -0.0075 0.0045 3870 ASN 80 ND2 0.0068 -0.0094 0.0124 3871 LEU 81 N 0.0055 -0.0075 0.0042 3872 LEU 81 CA 0.0016 -0.0082 0.0033 3873 LEU 81 C -0.0014 -0.0080 -0.0002 3874 LEU 81 O -0.0053 -0.0090 0.0001 3875 LEU 81 CB 0.0033 -0.0074 0.0018 3876 LEU 81 CG 0.0045 -0.0081 0.0054 3877 LEU 81 CD1 0.0063 -0.0072 0.0040 3878 LEU 81 CD2 0.0021 -0.0096 0.0088 3879 LYS 82 N -0.0008 -0.0122 -0.0047 3880 LYS 82 CA -0.0026 -0.0105 -0.0068 3881 LYS 82 C -0.0041 -0.0094 -0.0072 3882 LYS 82 O -0.0062 -0.0079 -0.0075 3883 LYS 82 CB -0.0009 -0.0111 -0.0098 3884 LYS 82 CG -0.0004 -0.0114 -0.0098 3885 LYS 82 CD 0.0011 -0.0117 -0.0134 3886 LYS 82 CE 0.0022 -0.0132 -0.0101 3887 LYS 82 NZ 0.0046 -0.0142 -0.0127 3888 GLY 83 N -0.0034 -0.0099 -0.0074 3889 GLY 83 CA -0.0048 -0.0087 -0.0085 3890 GLY 83 C -0.0062 -0.0082 -0.0059 3891 GLY 83 O -0.0090 -0.0064 -0.0059 3892 THR 84 N -0.0059 -0.0091 -0.0027 3893 THR 84 CA -0.0075 -0.0085 -0.0005 3894 THR 84 C -0.0100 -0.0067 -0.0007 3895 THR 84 O -0.0116 -0.0060 0.0010 3896 THR 84 CB -0.0063 -0.0098 0.0025 3897 THR 84 OG1 -0.0047 -0.0109 0.0021 3898 THR 84 CG2 -0.0077 -0.0095 0.0055 3899 PHE 85 N -0.0069 -0.0083 -0.0089 3900 PHE 85 CA -0.0068 -0.0063 -0.0060 3901 PHE 85 C -0.0073 -0.0048 -0.0075 3902 PHE 85 O -0.0073 -0.0034 -0.0059 3903 PHE 85 CB -0.0061 -0.0084 -0.0035 3904 PHE 85 CG -0.0058 -0.0084 -0.0015 3905 PHE 85 CD1 -0.0052 -0.0115 -0.0015 3906 PHE 85 CD2 -0.0059 -0.0061 0.0006 3907 PHE 85 CE1 -0.0048 -0.0120 0.0005 3908 PHE 85 CE2 -0.0056 -0.0066 0.0022 3909 PHE 85 CZ -0.0050 -0.0094 0.0023 3910 ALA 86 N -0.0077 -0.0052 -0.0106 3911 ALA 86 CA -0.0080 -0.0044 -0.0118 3912 ALA 86 C -0.0086 -0.0006 -0.0111 3913 ALA 86 O -0.0086 0.0002 -0.0100 3914 ALA 86 CB -0.0086 -0.0044 -0.0158 3915 THR 87 N -0.0090 0.0012 -0.0116 3916 THR 87 CA -0.0096 0.0046 -0.0108 3917 THR 87 C -0.0092 0.0054 -0.0072 3918 THR 87 O -0.0094 0.0071 -0.0065 3919 THR 87 CB -0.0101 0.0067 -0.0118 3920 THR 87 OG1 -0.0105 0.0060 -0.0152 3921 THR 87 CG2 -0.0107 0.0100 -0.0117 3922 LEU 88 N -0.0040 0.0043 -0.0101 3923 LEU 88 CA -0.0032 0.0046 -0.0079 3924 LEU 88 C -0.0030 0.0029 -0.0060 3925 LEU 88 O -0.0021 0.0036 -0.0041 3926 LEU 88 CB -0.0031 0.0041 -0.0074 3927 LEU 88 CG -0.0029 0.0061 -0.0084 3928 LEU 88 CD1 -0.0032 0.0050 -0.0083 3929 LEU 88 CD2 -0.0020 0.0081 -0.0075 3930 SER 89 N -0.0039 0.0007 -0.0068 3931 SER 89 CA -0.0038 -0.0008 -0.0054 3932 SER 89 C -0.0032 0.0004 -0.0045 3933 SER 89 O -0.0025 0.0006 -0.0027 3934 SER 89 CB -0.0047 -0.0030 -0.0063 3935 SER 89 OG -0.0046 -0.0045 -0.0047 3936 GLU 90 N -0.0036 0.0013 -0.0065 3937 GLU 90 CA -0.0031 0.0029 -0.0063 3938 GLU 90 C -0.0020 0.0050 -0.0050 3939 GLU 90 O -0.0014 0.0054 -0.0037 3940 GLU 90 CB -0.0039 0.0033 -0.0089 3941 GLU 90 CG -0.0035 0.0039 -0.0084 3942 GLU 90 CD -0.0049 0.0039 -0.0124 3943 GLU 90 OE1 -0.0040 0.0067 -0.0119 3944 GLU 90 OE2 -0.0053 0.0035 -0.0131 3945 LEU 91 N 0.0040 0.0039 -0.0062 3946 LEU 91 CA 0.0061 0.0047 -0.0059 3947 LEU 91 C 0.0063 0.0046 -0.0040 3948 LEU 91 O 0.0081 0.0051 -0.0026 3949 LEU 91 CB 0.0065 0.0052 -0.0091 3950 LEU 91 CG 0.0086 0.0060 -0.0099 3951 LEU 91 CD1 0.0117 0.0072 -0.0090 3952 LEU 91 CD2 0.0085 0.0063 -0.0127 3953 HIS 92 N 0.0036 0.0036 -0.0043 3954 HIS 92 CA 0.0037 0.0035 -0.0029 3955 HIS 92 C 0.0031 0.0029 0.0006 3956 HIS 92 O 0.0043 0.0032 0.0021 3957 HIS 92 CB 0.0009 0.0025 -0.0036 3958 HIS 92 CG 0.0010 0.0028 -0.0062 3959 HIS 92 ND1 0.0010 0.0031 -0.0091 3960 HIS 92 CD2 0.0012 0.0029 -0.0072 3961 HIS 92 CE1 0.0012 0.0033 -0.0108 3962 HIS 92 NE2 0.0019 0.0035 -0.0100 3963 CYS 93 N 0.0025 0.0026 0.0013 3964 CYS 93 CA 0.0029 0.0024 0.0045 3965 CYS 93 C 0.0060 0.0035 0.0055 3966 CYS 93 O 0.0067 0.0036 0.0072 3967 CYS 93 CB 0.0006 0.0016 0.0045 3968 CYS 93 SG 0.0010 0.0013 0.0087 3969 ASP 94 N 0.0074 0.0039 0.0056 3970 ASP 94 CA 0.0123 0.0057 0.0083 3971 ASP 94 C 0.0155 0.0063 0.0067 3972 ASP 94 O 0.0184 0.0075 0.0091 3973 ASP 94 CB 0.0133 0.0056 0.0064 3974 ASP 94 CG 0.0106 0.0054 0.0089 3975 ASP 94 OD1 0.0084 0.0052 0.0112 3976 ASP 94 OD2 0.0118 0.0050 0.0052 3977 LYS 95 N 0.0156 0.0055 0.0025 3978 LYS 95 CA 0.0194 0.0063 0.0007 3979 LYS 95 C 0.0181 0.0060 0.0014 3980 LYS 95 O 0.0196 0.0067 0.0028 3981 LYS 95 CB 0.0213 0.0059 -0.0042 3982 LYS 95 CG 0.0222 0.0059 -0.0053 3983 LYS 95 CD 0.0278 0.0083 -0.0006 3984 LYS 95 CE 0.0308 0.0093 0.0006 3985 LYS 95 NZ 0.0352 0.0114 0.0052 3986 LEU 96 N 0.0129 0.0043 -0.0003 3987 LEU 96 CA 0.0115 0.0039 -0.0006 3988 LEU 96 C 0.0090 0.0041 0.0041 3989 LEU 96 O 0.0085 0.0039 0.0043 3990 LEU 96 CB 0.0090 0.0023 -0.0052 3991 LEU 96 CG 0.0111 0.0021 -0.0099 3992 LEU 96 CD1 0.0077 0.0004 -0.0141 3993 LEU 96 CD2 0.0151 0.0030 -0.0106 3994 HIS 97 N 0.0058 0.0034 0.0032 3995 HIS 97 CA 0.0052 0.0034 0.0048 3996 HIS 97 C 0.0038 0.0031 0.0046 3997 HIS 97 O 0.0035 0.0031 0.0053 3998 HIS 97 CB 0.0062 0.0038 0.0060 3999 HIS 97 CG 0.0077 0.0042 0.0064 4000 HIS 97 ND1 0.0074 0.0042 0.0068 4001 HIS 97 CD2 0.0091 0.0045 0.0058 4002 HIS 97 CE1 0.0090 0.0046 0.0070 4003 HIS 97 NE2 0.0096 0.0047 0.0064 4004 VAL 98 N 0.0029 0.0027 0.0032 4005 VAL 98 CA 0.0017 0.0024 0.0028 4006 VAL 98 C 0.0001 0.0021 0.0037 4007 VAL 98 O -0.0004 0.0019 0.0034 4008 VAL 98 CB 0.0013 0.0021 0.0011 4009 VAL 98 CG1 -0.0001 0.0017 0.0006 4010 VAL 98 CG2 0.0030 0.0024 0.0003 4011 ASP 99 N -0.0005 0.0020 0.0046 4012 ASP 99 CA -0.0021 0.0017 0.0054 4013 ASP 99 C -0.0032 0.0013 0.0040 4014 ASP 99 O -0.0033 0.0012 0.0030 4015 ASP 99 CB -0.0025 0.0017 0.0063 4016 ASP 99 CG -0.0041 0.0014 0.0073 4017 ASP 99 OD1 -0.0041 0.0015 0.0081 4018 ASP 99 OD2 -0.0049 0.0012 0.0070 4019 PRO 100 N -0.0031 -0.0014 0.0016 4020 PRO 100 CA -0.0040 -0.0012 0.0011 4021 PRO 100 C -0.0048 -0.0010 0.0005 4022 PRO 100 O -0.0054 -0.0009 -0.0003 4023 PRO 100 CB -0.0043 -0.0011 0.0017 4024 PRO 100 CG -0.0041 -0.0012 0.0028 4025 PRO 100 CD -0.0032 -0.0014 0.0028 4026 GLU 101 N -0.0049 -0.0010 0.0009 4027 GLU 101 CA -0.0056 -0.0008 0.0004 4028 GLU 101 C -0.0054 -0.0009 -0.0008 4029 GLU 101 O -0.0061 -0.0007 -0.0016 4030 GLU 101 CB -0.0056 -0.0008 0.0010 4031 GLU 101 CG -0.0064 -0.0006 0.0003 4032 GLU 101 CD -0.0081 -0.0002 0.0002 4033 GLU 101 OE1 -0.0080 -0.0002 0.0012 4034 GLU 101 OE2 -0.0081 -0.0002 -0.0006 4035 ASN 102 N -0.0043 -0.0011 -0.0011 4036 ASN 102 CA -0.0039 -0.0012 -0.0023 4037 ASN 102 C -0.0043 -0.0011 -0.0030 4038 ASN 102 O -0.0046 -0.0011 -0.0041 4039 ASN 102 CB -0.0027 -0.0015 -0.0024 4040 ASN 102 CG -0.0022 -0.0017 -0.0020 4041 ASN 102 OD1 -0.0022 -0.0017 -0.0024 4042 ASN 102 ND2 -0.0016 -0.0018 -0.0009 4043 PHE 103 N -0.0046 -0.0045 -0.0041 4044 PHE 103 CA -0.0052 -0.0041 -0.0044 4045 PHE 103 C -0.0059 -0.0036 -0.0048 4046 PHE 103 O -0.0062 -0.0033 -0.0055 4047 PHE 103 CB -0.0055 -0.0041 -0.0038 4048 PHE 103 CG -0.0048 -0.0046 -0.0033 4049 PHE 103 CD1 -0.0040 -0.0048 -0.0038 4050 PHE 103 CD2 -0.0049 -0.0048 -0.0024 4051 PHE 103 CE1 -0.0034 -0.0052 -0.0035 4052 PHE 103 CE2 -0.0043 -0.0052 -0.0021 4053 PHE 103 CZ -0.0035 -0.0055 -0.0026 4054 ARG 104 N -0.0062 -0.0036 -0.0044 4055 ARG 104 CA -0.0069 -0.0032 -0.0046 4056 ARG 104 C -0.0066 -0.0031 -0.0055 4057 ARG 104 O -0.0070 -0.0027 -0.0060 4058 ARG 104 CB -0.0073 -0.0033 -0.0038 4059 ARG 104 CG -0.0076 -0.0033 -0.0032 4060 ARG 104 CD -0.0079 -0.0034 -0.0023 4061 ARG 104 NE -0.0083 -0.0034 -0.0017 4062 ARG 104 CZ -0.0083 -0.0039 -0.0003 4063 ARG 104 NH1 -0.0080 -0.0038 -0.0008 4064 ARG 104 NH2 -0.0090 -0.0035 -0.0002 4065 LEU 105 N -0.0059 -0.0034 -0.0055 4066 LEU 105 CA -0.0055 -0.0033 -0.0063 4067 LEU 105 C -0.0054 -0.0031 -0.0071 4068 LEU 105 O -0.0057 -0.0028 -0.0077 4069 LEU 105 CB -0.0048 -0.0037 -0.0061 4070 LEU 105 CG -0.0047 -0.0040 -0.0055 4071 LEU 105 CD1 -0.0040 -0.0044 -0.0053 4072 LEU 105 CD2 -0.0054 -0.0036 -0.0056 4073 LEU 106 N -0.0029 -0.0030 -0.0063 4074 LEU 106 CA -0.0031 -0.0026 -0.0057 4075 LEU 106 C -0.0026 -0.0030 -0.0056 4076 LEU 106 O -0.0025 -0.0029 -0.0049 4077 LEU 106 CB -0.0038 -0.0021 -0.0062 4078 LEU 106 CG -0.0041 -0.0016 -0.0056 4079 LEU 106 CD1 -0.0042 -0.0013 -0.0047 4080 LEU 106 CD2 -0.0047 -0.0013 -0.0062 4081 GLY 107 N -0.0024 -0.0035 -0.0063 4082 GLY 107 CA -0.0019 -0.0039 -0.0063 4083 GLY 107 C -0.0012 -0.0043 -0.0056 4084 GLY 107 O -0.0010 -0.0043 -0.0050 4085 ASN 108 N -0.0010 -0.0045 -0.0055 4086 ASN 108 CA -0.0004 -0.0048 -0.0049 4087 ASN 108 C -0.0005 -0.0044 -0.0039 4088 ASN 108 O -0.0000 -0.0045 -0.0033 4089 ASN 108 CB -0.0000 -0.0052 -0.0050 4090 ASN 108 CG 0.0003 -0.0058 -0.0060 4091 ASN 108 OD1 0.0006 -0.0061 -0.0060 4092 ASN 108 ND2 0.0005 -0.0060 -0.0061 4093 VAL 109 N 0.0016 -0.0018 -0.0073 4094 VAL 109 CA 0.0009 -0.0021 -0.0065 4095 VAL 109 C 0.0011 -0.0024 -0.0054 4096 VAL 109 O 0.0013 -0.0026 -0.0047 4097 VAL 109 CB -0.0004 -0.0021 -0.0068 4098 VAL 109 CG1 -0.0012 -0.0025 -0.0060 4099 VAL 109 CG2 -0.0007 -0.0019 -0.0078 4100 LEU 110 N 0.0013 -0.0024 -0.0054 4101 LEU 110 CA 0.0017 -0.0027 -0.0043 4102 LEU 110 C 0.0026 -0.0028 -0.0038 4103 LEU 110 O 0.0029 -0.0030 -0.0029 4104 LEU 110 CB 0.0018 -0.0027 -0.0044 4105 LEU 110 CG 0.0021 -0.0029 -0.0035 4106 LEU 110 CD1 0.0015 -0.0033 -0.0026 4107 LEU 110 CD2 0.0023 -0.0029 -0.0036 4108 VAL 111 N 0.0035 -0.0024 -0.0046 4109 VAL 111 CA 0.0046 -0.0024 -0.0042 4110 VAL 111 C 0.0043 -0.0026 -0.0037 4111 VAL 111 O 0.0048 -0.0028 -0.0029 4112 VAL 111 CB 0.0055 -0.0020 -0.0050 4113 VAL 111 CG1 0.0064 -0.0020 -0.0047 4114 VAL 111 CG2 0.0058 -0.0019 -0.0052 4115 CYS 112 N 0.0070 0.0007 -0.0050 4116 CYS 112 CA 0.0070 0.0007 -0.0053 4117 CYS 112 C 0.0069 0.0006 -0.0051 4118 CYS 112 O 0.0070 0.0008 -0.0052 4119 CYS 112 CB 0.0069 0.0004 -0.0058 4120 CYS 112 SG 0.0071 0.0008 -0.0062 4121 VAL 113 N 0.0067 0.0002 -0.0048 4122 VAL 113 CA 0.0066 -0.0000 -0.0046 4123 VAL 113 C 0.0067 0.0003 -0.0042 4124 VAL 113 O 0.0067 0.0004 -0.0041 4125 VAL 113 CB 0.0063 -0.0005 -0.0044 4126 VAL 113 CG1 0.0062 -0.0007 -0.0041 4127 VAL 113 CG2 0.0062 -0.0009 -0.0049 4128 LEU 114 N 0.0067 0.0005 -0.0038 4129 LEU 114 CA 0.0069 0.0009 -0.0034 4130 LEU 114 C 0.0071 0.0013 -0.0037 4131 LEU 114 O 0.0071 0.0014 -0.0035 4132 LEU 114 CB 0.0069 0.0010 -0.0031 4133 LEU 114 CG 0.0067 0.0006 -0.0028 4134 LEU 114 CD1 0.0067 0.0008 -0.0025 4135 LEU 114 CD2 0.0065 0.0005 -0.0024 4136 ALA 115 N 0.0097 0.0022 -0.0039 4137 ALA 115 CA 0.0101 0.0023 -0.0040 4138 ALA 115 C 0.0102 0.0025 -0.0039 4139 ALA 115 O 0.0103 0.0027 -0.0039 4140 ALA 115 CB 0.0102 0.0021 -0.0041 4141 HIS 116 N 0.0103 0.0024 -0.0040 4142 HIS 116 CA 0.0104 0.0025 -0.0040 4143 HIS 116 C 0.0103 0.0028 -0.0038 4144 HIS 116 O 0.0104 0.0030 -0.0038 4145 HIS 116 CB 0.0104 0.0023 -0.0041 4146 HIS 116 CG 0.0106 0.0024 -0.0040 4147 HIS 116 ND1 0.0105 0.0024 -0.0040 4148 HIS 116 CD2 0.0109 0.0025 -0.0041 4149 HIS 116 CE1 0.0107 0.0025 -0.0040 4150 HIS 116 NE2 0.0109 0.0026 -0.0041 4151 HIS 117 N 0.0100 0.0028 -0.0038 4152 HIS 117 CA 0.0098 0.0030 -0.0036 4153 HIS 117 C 0.0098 0.0032 -0.0035 4154 HIS 117 O 0.0098 0.0035 -0.0034 4155 HIS 117 CB 0.0095 0.0029 -0.0036 4156 HIS 117 CG 0.0093 0.0031 -0.0035 4157 HIS 117 ND1 0.0094 0.0032 -0.0035 4158 HIS 117 CD2 0.0092 0.0033 -0.0033 4159 HIS 117 CE1 0.0091 0.0034 -0.0033 4160 HIS 117 NE2 0.0091 0.0035 -0.0033 4161 PHE 118 N 0.0121 0.0023 -0.0038 4162 PHE 118 CA 0.0108 0.0037 -0.0038 4163 PHE 118 C 0.0110 0.0045 -0.0045 4164 PHE 118 O 0.0100 0.0059 -0.0047 4165 PHE 118 CB 0.0093 0.0033 -0.0027 4166 PHE 118 CG 0.0090 0.0028 -0.0022 4167 PHE 118 CD1 0.0090 0.0015 -0.0013 4168 PHE 118 CD2 0.0086 0.0041 -0.0027 4169 PHE 118 CE1 0.0088 0.0009 -0.0008 4170 PHE 118 CE2 0.0083 0.0036 -0.0022 4171 PHE 118 CZ 0.0088 0.0021 -0.0016 4172 GLY 119 N 0.0119 0.0039 -0.0047 4173 GLY 119 CA 0.0122 0.0048 -0.0054 4174 GLY 119 C 0.0106 0.0051 -0.0046 4175 GLY 119 O 0.0096 0.0045 -0.0036 4176 LYS 120 N 0.0102 0.0068 -0.0054 4177 LYS 120 CA 0.0090 0.0072 -0.0049 4178 LYS 120 C 0.0076 0.0076 -0.0042 4179 LYS 120 O 0.0064 0.0075 -0.0034 4180 LYS 120 CB 0.0093 0.0089 -0.0061 4181 LYS 120 CG 0.0083 0.0100 -0.0062 4182 LYS 120 CD 0.0077 0.0119 -0.0070 4183 LYS 120 CE 0.0078 0.0126 -0.0075 4184 LYS 120 NZ 0.0063 0.0151 -0.0080 4185 GLU 121 N 0.0086 0.0083 -0.0038 4186 GLU 121 CA 0.0074 0.0083 -0.0030 4187 GLU 121 C 0.0067 0.0067 -0.0023 4188 GLU 121 O 0.0055 0.0068 -0.0015 4189 GLU 121 CB 0.0069 0.0085 -0.0028 4190 GLU 121 CG 0.0058 0.0087 -0.0022 4191 GLU 121 CD 0.0052 0.0096 -0.0020 4192 GLU 121 OE1 0.0041 0.0086 -0.0011 4193 GLU 121 OE2 0.0062 0.0090 -0.0025 4194 PHE 122 N 0.0077 0.0057 -0.0026 4195 PHE 122 CA 0.0072 0.0042 -0.0020 4196 PHE 122 C 0.0074 0.0042 -0.0021 4197 PHE 122 O 0.0083 0.0034 -0.0024 4198 PHE 122 CB 0.0083 0.0031 -0.0024 4199 PHE 122 CG 0.0078 0.0015 -0.0017 4200 PHE 122 CD1 0.0068 0.0011 -0.0010 4201 PHE 122 CD2 0.0083 0.0002 -0.0017 4202 PHE 122 CE1 0.0063 -0.0004 -0.0003 4203 PHE 122 CE2 0.0079 -0.0012 -0.0011 4204 PHE 122 CZ 0.0069 -0.0013 -0.0005 4205 THR 123 N 0.0064 0.0050 -0.0017 4206 THR 123 CA 0.0065 0.0052 -0.0018 4207 THR 123 C 0.0061 0.0038 -0.0012 4208 THR 123 O 0.0057 0.0029 -0.0007 4209 THR 123 CB 0.0054 0.0064 -0.0014 4210 THR 123 OG1 0.0041 0.0062 -0.0006 4211 THR 123 CG2 0.0056 0.0081 -0.0019 4212 PRO 124 N 0.0052 0.0031 -0.0010 4213 PRO 124 CA 0.0049 0.0020 -0.0003 4214 PRO 124 C 0.0036 0.0016 0.0013 4215 PRO 124 O 0.0034 -0.0000 0.0019 4216 PRO 124 CB 0.0054 0.0031 -0.0011 4217 PRO 124 CG 0.0064 0.0040 -0.0026 4218 PRO 124 CD 0.0059 0.0047 -0.0021 4219 PRO 125 N 0.0026 0.0029 0.0023 4220 PRO 125 CA 0.0015 0.0025 0.0037 4221 PRO 125 C 0.0010 0.0011 0.0046 4222 PRO 125 O 0.0003 -0.0001 0.0056 4223 PRO 125 CB 0.0007 0.0045 0.0043 4224 PRO 125 CG 0.0014 0.0058 0.0032 4225 PRO 125 CD 0.0026 0.0053 0.0019 4226 VAL 126 N 0.0017 0.0014 0.0037 4227 VAL 126 CA 0.0015 -0.0001 0.0042 4228 VAL 126 C 0.0020 -0.0023 0.0040 4229 VAL 126 O 0.0015 -0.0035 0.0048 4230 VAL 126 CB 0.0022 0.0007 0.0032 4231 VAL 126 CG1 0.0019 -0.0007 0.0038 4232 VAL 126 CG2 0.0013 0.0026 0.0040 4233 GLN 127 N 0.0021 -0.0009 0.0018 4234 GLN 127 CA 0.0025 -0.0025 0.0014 4235 GLN 127 C 0.0019 -0.0031 0.0026 4236 GLN 127 O 0.0017 -0.0047 0.0031 4237 GLN 127 CB 0.0035 -0.0023 -0.0002 4238 GLN 127 CG 0.0039 -0.0041 -0.0006 4239 GLN 127 CD 0.0047 -0.0037 -0.0021 4240 GLN 127 OE1 0.0052 -0.0025 -0.0031 4241 GLN 127 NE2 0.0051 -0.0052 -0.0024 4242 ALA 128 N 0.0014 -0.0018 0.0031 4243 ALA 128 CA 0.0008 -0.0022 0.0041 4244 ALA 128 C 0.0000 -0.0031 0.0057 4245 ALA 128 O -0.0002 -0.0044 0.0062 4246 ALA 128 CB 0.0005 -0.0005 0.0044 4247 ALA 129 N -0.0003 -0.0024 0.0060 4248 ALA 129 CA -0.0011 -0.0031 0.0076 4249 ALA 129 C -0.0008 -0.0051 0.0074 4250 ALA 129 O -0.0013 -0.0063 0.0085 4251 ALA 129 CB -0.0016 -0.0019 0.0081 4252 TYR 130 N -0.0001 -0.0025 0.0044 4253 TYR 130 CA 0.0007 -0.0043 0.0040 4254 TYR 130 C 0.0011 -0.0059 0.0039 4255 TYR 130 O 0.0010 -0.0076 0.0046 4256 TYR 130 CB 0.0018 -0.0041 0.0024 4257 TYR 130 CG 0.0014 -0.0037 0.0027 4258 TYR 130 CD1 0.0014 -0.0051 0.0033 4259 TYR 130 CD2 0.0010 -0.0018 0.0027 4260 TYR 130 CE1 0.0010 -0.0052 0.0039 4261 TYR 130 CE2 0.0006 -0.0016 0.0031 4262 TYR 130 CZ 0.0005 -0.0030 0.0037 4263 TYR 130 OH 0.0002 -0.0027 0.0041 4264 GLN 131 N 0.0013 -0.0053 0.0035 4265 GLN 131 CA 0.0016 -0.0067 0.0036 4266 GLN 131 C 0.0007 -0.0077 0.0052 4267 GLN 131 O 0.0007 -0.0093 0.0057 4268 GLN 131 CB 0.0022 -0.0060 0.0025 4269 GLN 131 CG 0.0032 -0.0054 0.0008 4270 GLN 131 CD 0.0046 -0.0073 -0.0005 4271 GLN 131 OE1 0.0054 -0.0065 -0.0019 4272 GLN 131 NE2 0.0045 -0.0089 0.0002 4273 LYS 132 N -0.0005 -0.0064 0.0064 4274 LYS 132 CA -0.0016 -0.0071 0.0082 4275 LYS 132 C -0.0018 -0.0085 0.0089 4276 LYS 132 O -0.0020 -0.0100 0.0097 4277 LYS 132 CB -0.0027 -0.0054 0.0092 4278 LYS 132 CG -0.0028 -0.0042 0.0089 4279 LYS 132 CD -0.0041 -0.0023 0.0099 4280 LYS 132 CE -0.0035 -0.0006 0.0085 4281 LYS 132 NZ -0.0058 0.0006 0.0113 4282 VAL 133 N 0.0017 -0.0055 0.0054 4283 VAL 133 CA 0.0006 -0.0064 0.0062 4284 VAL 133 C -0.0003 -0.0072 0.0050 4285 VAL 133 O -0.0011 -0.0079 0.0050 4286 VAL 133 CB 0.0004 -0.0065 0.0076 4287 VAL 133 CG1 -0.0009 -0.0075 0.0080 4288 VAL 133 CG2 0.0013 -0.0056 0.0088 4289 VAL 134 N -0.0003 -0.0073 0.0043 4290 VAL 134 CA -0.0013 -0.0082 0.0032 4291 VAL 134 C -0.0013 -0.0083 0.0018 4292 VAL 134 O -0.0022 -0.0091 0.0016 4293 VAL 134 CB -0.0014 -0.0083 0.0026 4294 VAL 134 CG1 -0.0014 -0.0083 0.0037 4295 VAL 134 CG2 -0.0003 -0.0075 0.0015 4296 ALA 135 N -0.0003 -0.0075 0.0015 4297 ALA 135 CA -0.0001 -0.0074 0.0003 4298 ALA 135 C -0.0007 -0.0079 0.0012 4299 ALA 135 O -0.0013 -0.0084 0.0005 4300 ALA 135 CB 0.0011 -0.0065 -0.0001 4301 GLY 136 N -0.0002 -0.0084 0.0008 4302 GLY 136 CA 0.0001 -0.0084 0.0009 4303 GLY 136 C -0.0012 -0.0085 0.0008 4304 GLY 136 O -0.0016 -0.0082 0.0002 4305 VAL 137 N -0.0020 -0.0089 0.0016 4306 VAL 137 CA -0.0032 -0.0090 0.0017 4307 VAL 137 C -0.0043 -0.0087 0.0009 4308 VAL 137 O -0.0047 -0.0085 0.0003 4309 VAL 137 CB -0.0040 -0.0097 0.0030 4310 VAL 137 CG1 -0.0055 -0.0098 0.0030 4311 VAL 137 CG2 -0.0031 -0.0100 0.0039 4312 ALA 138 N -0.0042 -0.0084 0.0002 4313 ALA 138 CA -0.0050 -0.0080 -0.0009 4314 ALA 138 C -0.0046 -0.0075 -0.0018 4315 ALA 138 O -0.0053 -0.0072 -0.0025 4316 ALA 138 CB -0.0049 -0.0077 -0.0013 4317 ASN 139 N -0.0045 -0.0099 -0.0029 4318 ASN 139 CA -0.0046 -0.0103 -0.0037 4319 ASN 139 C -0.0051 -0.0095 -0.0047 4320 ASN 139 O -0.0053 -0.0092 -0.0055 4321 ASN 139 CB -0.0044 -0.0112 -0.0042 4322 ASN 139 CG -0.0042 -0.0121 -0.0042 4323 ASN 139 OD1 -0.0045 -0.0120 -0.0056 4324 ASN 139 ND2 -0.0039 -0.0121 -0.0031 4325 ALA 140 N -0.0052 -0.0092 -0.0049 4326 ALA 140 CA -0.0056 -0.0084 -0.0057 4327 ALA 140 C -0.0059 -0.0073 -0.0054 4328 ALA 140 O -0.0062 -0.0068 -0.0063 4329 ALA 140 CB -0.0057 -0.0082 -0.0057 4330 LEU 141 N -0.0058 -0.0068 -0.0045 4331 LEU 141 CA -0.0061 -0.0059 -0.0042 4332 LEU 141 C -0.0061 -0.0059 -0.0044 4333 LEU 141 O -0.0063 -0.0051 -0.0044 4334 LEU 141 CB -0.0059 -0.0054 -0.0029 4335 LEU 141 CG -0.0060 -0.0049 -0.0028 4336 LEU 141 CD1 -0.0060 -0.0044 -0.0017 4337 LEU 141 CD2 -0.0066 -0.0037 -0.0035 4338 ALA 142 N -0.0058 -0.0074 -0.0025 4339 ALA 142 CA -0.0057 -0.0077 -0.0013 4340 ALA 142 C -0.0062 -0.0082 -0.0028 4341 ALA 142 O -0.0059 -0.0079 -0.0017 4342 ALA 142 CB -0.0061 -0.0097 0.0009 4343 HIS 143 N -0.0068 -0.0086 -0.0053 4344 HIS 143 CA -0.0075 -0.0094 -0.0072 4345 HIS 143 C -0.0068 -0.0076 -0.0074 4346 HIS 143 O -0.0073 -0.0088 -0.0076 4347 HIS 143 CB -0.0083 -0.0104 -0.0096 4348 HIS 143 CG -0.0089 -0.0112 -0.0112 4349 HIS 143 ND1 -0.0089 -0.0102 -0.0134 4350 HIS 143 CD2 -0.0100 -0.0143 -0.0102 4351 HIS 143 CE1 -0.0098 -0.0123 -0.0139 4352 HIS 143 NE2 -0.0104 -0.0145 -0.0125 4353 LYS 144 N -0.0059 -0.0053 -0.0076 4354 LYS 144 CA -0.0051 -0.0030 -0.0081 4355 LYS 144 C -0.0046 -0.0026 -0.0059 4356 LYS 144 O -0.0038 -0.0005 -0.0059 4357 LYS 144 CB -0.0050 -0.0016 -0.0102 4358 LYS 144 CG -0.0059 -0.0026 -0.0130 4359 LYS 144 CD -0.0062 -0.0027 -0.0148 4360 LYS 144 CE -0.0068 -0.0032 -0.0169 4361 LYS 144 NZ -0.0068 -0.0016 -0.0203 4362 TYR 145 N -0.0020 0.0010 0.0054 4363 TYR 145 CA -0.0016 0.0016 0.0076 4364 TYR 145 C -0.0015 0.0022 0.0102 4365 TYR 145 O -0.0032 0.0018 0.0105 4366 TYR 145 CB -0.0033 0.0012 0.0079 4367 TYR 145 CG -0.0023 0.0011 0.0063 4368 TYR 145 CD1 -0.0014 0.0015 0.0069 4369 TYR 145 CD2 -0.0026 0.0004 0.0035 4370 TYR 145 CE1 -0.0006 0.0013 0.0054 4371 TYR 145 CE2 -0.0017 0.0002 0.0017 4372 TYR 145 CZ -0.0008 0.0006 0.0026 4373 TYR 145 OH -0.0000 0.0005 0.0011 4374 HIS 146 N 0.0004 0.0030 0.0116 4375 HIS 146 CA 0.0006 0.0037 0.0146 4376 HIS 146 C 0.0024 0.0045 0.0159 4377 HIS 146 O 0.0030 0.0046 0.0156 4378 HIS 146 CB 0.0023 0.0039 0.0135 4379 HIS 146 CG 0.0045 0.0041 0.0120 4380 HIS 146 ND1 0.0076 0.0053 0.0137 4381 HIS 146 CD2 0.0060 0.0043 0.0109 4382 HIS 146 CE1 0.0087 0.0054 0.0129 4383 HIS 146 NE2 0.0091 0.0049 0.0105 4384 HIS 146 OXT 0.0022 0.0050 0.0184