1 VAL 1 N 0.0007 0.0106 0.0041 2 VAL 1 CA -0.0000 0.0112 0.0037 3 VAL 1 C 0.0006 0.0127 0.0042 4 VAL 1 O 0.0008 0.0137 0.0044 5 VAL 1 CB -0.0015 0.0116 0.0029 6 VAL 1 CG1 -0.0023 0.0120 0.0024 7 VAL 1 CG2 -0.0011 0.0105 0.0030 8 LEU 2 N 0.0002 0.0127 0.0040 9 LEU 2 CA 0.0005 0.0143 0.0043 10 LEU 2 C -0.0008 0.0157 0.0036 11 LEU 2 O -0.0016 0.0149 0.0030 12 LEU 2 CB 0.0007 0.0138 0.0044 13 LEU 2 CG 0.0018 0.0134 0.0050 14 LEU 2 CD1 0.0030 0.0136 0.0058 15 LEU 2 CD2 0.0018 0.0124 0.0050 16 SER 3 N -0.0004 0.0165 0.0039 17 SER 3 CA -0.0015 0.0178 0.0033 18 SER 3 C -0.0017 0.0183 0.0033 19 SER 3 O -0.0009 0.0183 0.0037 20 SER 3 CB -0.0008 0.0189 0.0038 21 SER 3 OG 0.0000 0.0197 0.0044 22 PRO 4 N -0.0039 0.0174 0.0031 23 PRO 4 CA -0.0041 0.0174 0.0029 24 PRO 4 C -0.0035 0.0184 0.0035 25 PRO 4 O -0.0031 0.0182 0.0038 26 PRO 4 CB -0.0050 0.0187 0.0020 27 PRO 4 CG -0.0054 0.0182 0.0016 28 PRO 4 CD -0.0048 0.0173 0.0023 29 ALA 5 N -0.0028 0.0193 0.0041 30 ALA 5 CA -0.0021 0.0201 0.0046 31 ALA 5 C -0.0011 0.0191 0.0057 32 ALA 5 O -0.0007 0.0194 0.0061 33 ALA 5 CB -0.0016 0.0212 0.0051 34 ASP 6 N -0.0009 0.0179 0.0059 35 ASP 6 CA -0.0002 0.0169 0.0066 36 ASP 6 C -0.0006 0.0165 0.0063 37 ASP 6 O 0.0002 0.0164 0.0071 38 ASP 6 CB -0.0001 0.0158 0.0068 39 ASP 6 CG 0.0005 0.0162 0.0073 40 ASP 6 OD1 0.0012 0.0170 0.0080 41 ASP 6 OD2 0.0001 0.0155 0.0070 42 LYS 7 N -0.0023 0.0173 0.0041 43 LYS 7 CA -0.0018 0.0167 0.0043 44 LYS 7 C -0.0016 0.0165 0.0049 45 LYS 7 O -0.0013 0.0161 0.0053 46 LYS 7 CB -0.0015 0.0167 0.0036 47 LYS 7 CG -0.0016 0.0169 0.0030 48 LYS 7 CD -0.0013 0.0168 0.0023 49 LYS 7 CE -0.0016 0.0172 0.0018 50 LYS 7 NZ -0.0012 0.0170 0.0013 51 THR 8 N -0.0021 0.0169 0.0051 52 THR 8 CA -0.0021 0.0167 0.0057 53 THR 8 C -0.0021 0.0165 0.0063 54 THR 8 O -0.0019 0.0163 0.0068 55 THR 8 CB -0.0025 0.0171 0.0057 56 THR 8 OG1 -0.0024 0.0170 0.0052 57 THR 8 CG2 -0.0026 0.0170 0.0063 58 ASN 9 N -0.0025 0.0169 0.0063 59 ASN 9 CA -0.0026 0.0169 0.0068 60 ASN 9 C -0.0022 0.0164 0.0070 61 ASN 9 O -0.0021 0.0163 0.0075 62 ASN 9 CB -0.0031 0.0173 0.0067 63 ASN 9 CG -0.0036 0.0177 0.0068 64 ASN 9 OD1 -0.0036 0.0177 0.0071 65 ASN 9 ND2 -0.0040 0.0181 0.0067 66 VAL 10 N -0.0031 0.0163 0.0070 67 VAL 10 CA -0.0041 0.0159 0.0075 68 VAL 10 C -0.0044 0.0149 0.0066 69 VAL 10 O -0.0053 0.0144 0.0068 70 VAL 10 CB -0.0040 0.0163 0.0080 71 VAL 10 CG1 -0.0049 0.0158 0.0083 72 VAL 10 CG2 -0.0038 0.0171 0.0087 73 LYS 11 N -0.0038 0.0149 0.0058 74 LYS 11 CA -0.0042 0.0140 0.0051 75 LYS 11 C -0.0043 0.0135 0.0046 76 LYS 11 O -0.0051 0.0128 0.0045 77 LYS 11 CB -0.0035 0.0139 0.0043 78 LYS 11 CG -0.0033 0.0142 0.0045 79 LYS 11 CD -0.0028 0.0141 0.0038 80 LYS 11 CE -0.0030 0.0143 0.0044 81 LYS 11 NZ -0.0022 0.0146 0.0038 82 ALA 12 N -0.0039 0.0139 0.0048 83 ALA 12 CA -0.0042 0.0133 0.0042 84 ALA 12 C -0.0047 0.0133 0.0049 85 ALA 12 O -0.0056 0.0126 0.0048 86 ALA 12 CB -0.0034 0.0139 0.0041 87 ALA 13 N -0.0098 0.0136 0.0035 88 ALA 13 CA -0.0087 0.0134 0.0042 89 ALA 13 C -0.0099 0.0123 0.0045 90 ALA 13 O -0.0093 0.0127 0.0045 91 ALA 13 CB -0.0074 0.0124 0.0057 92 TRP 14 N -0.0113 0.0112 0.0047 93 TRP 14 CA -0.0123 0.0102 0.0050 94 TRP 14 C -0.0136 0.0112 0.0035 95 TRP 14 O -0.0139 0.0109 0.0036 96 TRP 14 CB -0.0138 0.0084 0.0057 97 TRP 14 CG -0.0140 0.0076 0.0062 98 TRP 14 CD1 -0.0162 0.0070 0.0056 99 TRP 14 CD2 -0.0131 0.0064 0.0076 100 TRP 14 NE1 -0.0158 0.0056 0.0069 101 TRP 14 CE2 -0.0145 0.0052 0.0079 102 TRP 14 CE3 -0.0114 0.0063 0.0086 103 TRP 14 CZ2 -0.0139 0.0044 0.0089 104 TRP 14 CZ3 -0.0111 0.0050 0.0097 105 TRP 14 CH2 -0.0125 0.0042 0.0097 106 GLY 15 N -0.0138 0.0124 0.0025 107 GLY 15 CA -0.0151 0.0130 0.0013 108 GLY 15 C -0.0133 0.0141 0.0013 109 GLY 15 O -0.0145 0.0142 0.0006 110 LYS 16 N -0.0173 0.0131 0.0001 111 LYS 16 CA -0.0159 0.0135 -0.0008 112 LYS 16 C -0.0165 0.0136 -0.0008 113 LYS 16 O -0.0162 0.0143 -0.0016 114 LYS 16 CB -0.0138 0.0132 -0.0010 115 LYS 16 CG -0.0129 0.0142 -0.0026 116 LYS 16 CD -0.0137 0.0156 -0.0040 117 LYS 16 CE -0.0127 0.0160 -0.0048 118 LYS 16 NZ -0.0108 0.0158 -0.0051 119 VAL 17 N -0.0169 0.0124 0.0009 120 VAL 17 CA -0.0170 0.0120 0.0014 121 VAL 17 C -0.0190 0.0132 0.0005 122 VAL 17 O -0.0186 0.0135 -0.0000 123 VAL 17 CB -0.0169 0.0109 0.0028 124 VAL 17 CG1 -0.0180 0.0107 0.0033 125 VAL 17 CG2 -0.0150 0.0099 0.0035 126 GLY 18 N -0.0201 0.0131 0.0010 127 GLY 18 CA -0.0218 0.0140 0.0003 128 GLY 18 C -0.0227 0.0138 0.0009 129 GLY 18 O -0.0231 0.0127 0.0023 130 ALA 19 N -0.0293 0.0193 -0.0008 131 ALA 19 CA -0.0309 0.0200 -0.0008 132 ALA 19 C -0.0267 0.0187 -0.0011 133 ALA 19 O -0.0265 0.0179 -0.0008 134 ALA 19 CB -0.0314 0.0238 -0.0024 135 HIS 20 N -0.0235 0.0171 -0.0011 136 HIS 20 CA -0.0198 0.0157 -0.0013 137 HIS 20 C -0.0206 0.0116 0.0008 138 HIS 20 O -0.0175 0.0096 0.0010 139 HIS 20 CB -0.0168 0.0158 -0.0020 140 HIS 20 CG -0.0150 0.0189 -0.0038 141 HIS 20 ND1 -0.0142 0.0218 -0.0053 142 HIS 20 CD2 -0.0171 0.0217 -0.0046 143 HIS 20 CE1 -0.0138 0.0244 -0.0065 144 HIS 20 NE2 -0.0146 0.0248 -0.0066 145 ALA 21 N -0.0237 0.0105 0.0019 146 ALA 21 CA -0.0243 0.0064 0.0039 147 ALA 21 C -0.0212 0.0045 0.0041 148 ALA 21 O -0.0205 0.0018 0.0051 149 ALA 21 CB -0.0278 0.0053 0.0052 150 GLY 22 N -0.0208 0.0053 -0.0001 151 GLY 22 CA -0.0185 0.0039 -0.0002 152 GLY 22 C -0.0158 0.0037 -0.0003 153 GLY 22 O -0.0136 0.0021 -0.0004 154 GLU 23 N -0.0140 0.0065 -0.0006 155 GLU 23 CA -0.0107 0.0068 -0.0008 156 GLU 23 C -0.0098 0.0046 -0.0007 157 GLU 23 O -0.0073 0.0036 -0.0008 158 GLU 23 CB -0.0105 0.0104 -0.0011 159 GLU 23 CG -0.0071 0.0111 -0.0013 160 GLU 23 CD -0.0073 0.0159 -0.0016 161 GLU 23 OE1 -0.0063 0.0150 -0.0016 162 GLU 23 OE2 -0.0102 0.0168 -0.0015 163 TYR 24 N -0.0118 0.0049 -0.0006 164 TYR 24 CA -0.0110 0.0032 -0.0006 165 TYR 24 C -0.0115 -0.0002 -0.0003 166 TYR 24 O -0.0096 -0.0020 -0.0004 167 TYR 24 CB -0.0138 0.0036 -0.0004 168 TYR 24 CG -0.0130 0.0070 -0.0007 169 TYR 24 CD1 -0.0147 0.0080 -0.0007 170 TYR 24 CD2 -0.0108 0.0089 -0.0009 171 TYR 24 CE1 -0.0141 0.0111 -0.0009 172 TYR 24 CE2 -0.0102 0.0119 -0.0012 173 TYR 24 CZ -0.0122 0.0128 -0.0011 174 TYR 24 OH -0.0121 0.0158 -0.0013 175 GLY 25 N -0.0128 -0.0024 -0.0034 176 GLY 25 CA -0.0128 -0.0051 -0.0040 177 GLY 25 C -0.0102 -0.0060 -0.0040 178 GLY 25 O -0.0091 -0.0081 -0.0044 179 ALA 26 N -0.0084 -0.0049 -0.0037 180 ALA 26 CA -0.0062 -0.0054 -0.0037 181 ALA 26 C -0.0039 -0.0058 -0.0037 182 ALA 26 O -0.0022 -0.0072 -0.0039 183 ALA 26 CB -0.0045 -0.0039 -0.0033 184 GLU 27 N -0.0042 -0.0036 -0.0032 185 GLU 27 CA -0.0027 -0.0036 -0.0031 186 GLU 27 C -0.0035 -0.0058 -0.0036 187 GLU 27 O -0.0016 -0.0068 -0.0038 188 GLU 27 CB -0.0034 -0.0008 -0.0026 189 GLU 27 CG -0.0020 -0.0007 -0.0025 190 GLU 27 CD -0.0023 0.0022 -0.0019 191 GLU 27 OE1 -0.0023 0.0019 -0.0019 192 GLU 27 OE2 -0.0029 0.0039 -0.0015 193 ALA 28 N -0.0027 -0.0073 -0.0052 194 ALA 28 CA -0.0024 -0.0084 -0.0045 195 ALA 28 C -0.0023 -0.0088 -0.0042 196 ALA 28 O -0.0018 -0.0096 -0.0041 197 ALA 28 CB -0.0030 -0.0087 -0.0035 198 LEU 29 N -0.0032 -0.0080 -0.0039 199 LEU 29 CA -0.0032 -0.0082 -0.0038 200 LEU 29 C -0.0024 -0.0082 -0.0047 201 LEU 29 O -0.0019 -0.0089 -0.0045 202 LEU 29 CB -0.0044 -0.0072 -0.0034 203 LEU 29 CG -0.0052 -0.0073 -0.0024 204 LEU 29 CD1 -0.0060 -0.0062 -0.0024 205 LEU 29 CD2 -0.0052 -0.0082 -0.0015 206 GLU 30 N -0.0022 -0.0073 -0.0056 207 GLU 30 CA -0.0013 -0.0074 -0.0065 208 GLU 30 C -0.0004 -0.0084 -0.0067 209 GLU 30 O 0.0002 -0.0088 -0.0070 210 GLU 30 CB -0.0014 -0.0063 -0.0074 211 GLU 30 CG -0.0005 -0.0065 -0.0082 212 GLU 30 CD -0.0006 -0.0050 -0.0094 213 GLU 30 OE1 -0.0012 -0.0046 -0.0092 214 GLU 30 OE2 -0.0002 -0.0049 -0.0099 215 ARG 31 N 0.0011 -0.0059 -0.0044 216 ARG 31 CA 0.0004 -0.0053 -0.0044 217 ARG 31 C 0.0002 -0.0059 -0.0054 218 ARG 31 O 0.0002 -0.0057 -0.0052 219 ARG 31 CB -0.0006 -0.0045 -0.0044 220 ARG 31 CG -0.0004 -0.0039 -0.0032 221 ARG 31 CD -0.0013 -0.0031 -0.0033 222 ARG 31 NE -0.0014 -0.0023 -0.0022 223 ARG 31 CZ -0.0013 -0.0019 -0.0014 224 ARG 31 NH1 -0.0013 -0.0018 -0.0014 225 ARG 31 NH2 -0.0012 -0.0014 -0.0006 226 MET 32 N 0.0000 -0.0063 -0.0063 227 MET 32 CA -0.0001 -0.0068 -0.0072 228 MET 32 C 0.0008 -0.0075 -0.0071 229 MET 32 O 0.0007 -0.0076 -0.0074 230 MET 32 CB -0.0004 -0.0072 -0.0082 231 MET 32 CG -0.0006 -0.0078 -0.0093 232 MET 32 SD -0.0009 -0.0083 -0.0103 233 MET 32 CE 0.0004 -0.0091 -0.0099 234 PHE 33 N 0.0016 -0.0080 -0.0068 235 PHE 33 CA 0.0025 -0.0087 -0.0067 236 PHE 33 C 0.0028 -0.0085 -0.0061 237 PHE 33 O 0.0031 -0.0088 -0.0062 238 PHE 33 CB 0.0034 -0.0092 -0.0064 239 PHE 33 CG 0.0033 -0.0097 -0.0072 240 PHE 33 CD1 0.0030 -0.0101 -0.0082 241 PHE 33 CD2 0.0038 -0.0097 -0.0066 242 PHE 33 CE1 0.0031 -0.0107 -0.0089 243 PHE 33 CE2 0.0036 -0.0102 -0.0075 244 PHE 33 CZ 0.0034 -0.0106 -0.0084 245 LEU 34 N 0.0026 -0.0074 -0.0065 246 LEU 34 CA 0.0022 -0.0075 -0.0066 247 LEU 34 C 0.0018 -0.0075 -0.0068 248 LEU 34 O 0.0015 -0.0075 -0.0071 249 LEU 34 CB 0.0021 -0.0078 -0.0063 250 LEU 34 CG 0.0023 -0.0078 -0.0061 251 LEU 34 CD1 0.0022 -0.0082 -0.0057 252 LEU 34 CD2 0.0024 -0.0076 -0.0064 253 SER 35 N 0.0018 -0.0077 -0.0066 254 SER 35 CA 0.0014 -0.0078 -0.0068 255 SER 35 C 0.0014 -0.0075 -0.0072 256 SER 35 O 0.0010 -0.0074 -0.0074 257 SER 35 CB 0.0014 -0.0080 -0.0064 258 SER 35 OG 0.0012 -0.0084 -0.0061 259 PHE 36 N 0.0018 -0.0073 -0.0072 260 PHE 36 CA 0.0019 -0.0069 -0.0075 261 PHE 36 C 0.0023 -0.0066 -0.0077 262 PHE 36 O 0.0028 -0.0065 -0.0076 263 PHE 36 CB 0.0021 -0.0070 -0.0073 264 PHE 36 CG 0.0019 -0.0073 -0.0071 265 PHE 36 CD1 0.0019 -0.0076 -0.0066 266 PHE 36 CD2 0.0014 -0.0073 -0.0073 267 PHE 36 CE1 0.0017 -0.0079 -0.0064 268 PHE 36 CE2 0.0011 -0.0077 -0.0071 269 PHE 36 CZ 0.0012 -0.0079 -0.0067 270 PRO 37 N 0.0051 -0.0063 -0.0080 271 PRO 37 CA 0.0051 -0.0062 -0.0080 272 PRO 37 C 0.0053 -0.0059 -0.0081 273 PRO 37 O 0.0054 -0.0059 -0.0081 274 PRO 37 CB 0.0045 -0.0062 -0.0078 275 PRO 37 CG 0.0042 -0.0061 -0.0077 276 PRO 37 CD 0.0047 -0.0062 -0.0079 277 THR 38 N 0.0055 -0.0054 -0.0082 278 THR 38 CA 0.0058 -0.0050 -0.0083 279 THR 38 C 0.0063 -0.0053 -0.0084 280 THR 38 O 0.0066 -0.0051 -0.0085 281 THR 38 CB 0.0059 -0.0045 -0.0084 282 THR 38 OG1 0.0062 -0.0047 -0.0084 283 THR 38 CG2 0.0054 -0.0043 -0.0082 284 THR 39 N 0.0065 -0.0057 -0.0084 285 THR 39 CA 0.0070 -0.0060 -0.0086 286 THR 39 C 0.0069 -0.0063 -0.0085 287 THR 39 O 0.0073 -0.0064 -0.0086 288 THR 39 CB 0.0072 -0.0064 -0.0086 289 THR 39 OG1 0.0069 -0.0068 -0.0085 290 THR 39 CG2 0.0073 -0.0061 -0.0087 291 LYS 40 N 0.0079 -0.0081 -0.0094 292 LYS 40 CA 0.0069 -0.0081 -0.0097 293 LYS 40 C 0.0064 -0.0069 -0.0089 294 LYS 40 O 0.0057 -0.0067 -0.0088 295 LYS 40 CB 0.0054 -0.0082 -0.0102 296 LYS 40 CG 0.0055 -0.0094 -0.0112 297 LYS 40 CD 0.0042 -0.0097 -0.0117 298 LYS 40 CE 0.0038 -0.0093 -0.0115 299 LYS 40 NZ 0.0025 -0.0096 -0.0121 300 THR 41 N 0.0070 -0.0061 -0.0080 301 THR 41 CA 0.0067 -0.0049 -0.0072 302 THR 41 C 0.0072 -0.0050 -0.0071 303 THR 41 O 0.0070 -0.0041 -0.0064 304 THR 41 CB 0.0074 -0.0042 -0.0064 305 THR 41 OG1 0.0088 -0.0045 -0.0063 306 THR 41 CG2 0.0066 -0.0041 -0.0065 307 TYR 42 N 0.0082 -0.0057 -0.0074 308 TYR 42 CA 0.0088 -0.0056 -0.0071 309 TYR 42 C 0.0079 -0.0062 -0.0079 310 TYR 42 O 0.0083 -0.0062 -0.0078 311 TYR 42 CB 0.0102 -0.0063 -0.0074 312 TYR 42 CG 0.0111 -0.0056 -0.0066 313 TYR 42 CD1 0.0117 -0.0047 -0.0057 314 TYR 42 CD2 0.0114 -0.0058 -0.0067 315 TYR 42 CE1 0.0123 -0.0041 -0.0051 316 TYR 42 CE2 0.0122 -0.0052 -0.0060 317 TYR 42 CZ 0.0127 -0.0044 -0.0052 318 TYR 42 OH 0.0135 -0.0038 -0.0045 319 PHE 43 N 0.0011 -0.0091 -0.0124 320 PHE 43 CA -0.0002 -0.0081 -0.0140 321 PHE 43 C -0.0017 -0.0065 -0.0152 322 PHE 43 O -0.0023 -0.0064 -0.0173 323 PHE 43 CB 0.0005 -0.0095 -0.0155 324 PHE 43 CG 0.0018 -0.0109 -0.0140 325 PHE 43 CD1 0.0034 -0.0128 -0.0133 326 PHE 43 CD2 0.0018 -0.0104 -0.0131 327 PHE 43 CE1 0.0046 -0.0139 -0.0121 328 PHE 43 CE2 0.0031 -0.0116 -0.0116 329 PHE 43 CZ 0.0045 -0.0136 -0.0114 330 PRO 44 N -0.0022 -0.0054 -0.0142 331 PRO 44 CA -0.0035 -0.0042 -0.0159 332 PRO 44 C -0.0053 -0.0019 -0.0162 333 PRO 44 O -0.0063 -0.0011 -0.0179 334 PRO 44 CB -0.0037 -0.0033 -0.0143 335 PRO 44 CG -0.0031 -0.0031 -0.0116 336 PRO 44 CD -0.0017 -0.0051 -0.0118 337 HIS 45 N -0.0050 -0.0017 -0.0148 338 HIS 45 CA -0.0063 0.0000 -0.0150 339 HIS 45 C -0.0065 -0.0005 -0.0168 340 HIS 45 O -0.0073 0.0006 -0.0170 341 HIS 45 CB -0.0062 0.0007 -0.0127 342 HIS 45 CG -0.0047 -0.0005 -0.0107 343 HIS 45 ND1 -0.0032 -0.0026 -0.0108 344 HIS 45 CD2 -0.0044 -0.0007 -0.0102 345 HIS 45 CE1 -0.0021 -0.0036 -0.0094 346 HIS 45 NE2 -0.0029 -0.0024 -0.0092 347 PHE 46 N -0.0083 -0.0054 -0.0171 348 PHE 46 CA -0.0083 -0.0068 -0.0174 349 PHE 46 C -0.0098 -0.0070 -0.0188 350 PHE 46 O -0.0106 -0.0070 -0.0195 351 PHE 46 CB -0.0075 -0.0084 -0.0169 352 PHE 46 CG -0.0063 -0.0085 -0.0159 353 PHE 46 CD1 -0.0054 -0.0102 -0.0154 354 PHE 46 CD2 -0.0056 -0.0076 -0.0151 355 PHE 46 CE1 -0.0041 -0.0104 -0.0143 356 PHE 46 CE2 -0.0042 -0.0077 -0.0138 357 PHE 46 CZ -0.0033 -0.0090 -0.0133 358 ASP 47 N -0.0100 -0.0079 -0.0191 359 ASP 47 CA -0.0111 -0.0088 -0.0204 360 ASP 47 C -0.0106 -0.0109 -0.0203 361 ASP 47 O -0.0098 -0.0116 -0.0197 362 ASP 47 CB -0.0114 -0.0091 -0.0207 363 ASP 47 CG -0.0127 -0.0099 -0.0221 364 ASP 47 OD1 -0.0133 -0.0105 -0.0227 365 ASP 47 OD2 -0.0126 -0.0104 -0.0221 366 LEU 48 N -0.0112 -0.0110 -0.0208 367 LEU 48 CA -0.0109 -0.0125 -0.0209 368 LEU 48 C -0.0119 -0.0139 -0.0221 369 LEU 48 O -0.0115 -0.0152 -0.0220 370 LEU 48 CB -0.0106 -0.0122 -0.0206 371 LEU 48 CG -0.0094 -0.0114 -0.0194 372 LEU 48 CD1 -0.0097 -0.0110 -0.0195 373 LEU 48 CD2 -0.0083 -0.0119 -0.0184 374 SER 49 N -0.0180 -0.0149 -0.0242 375 SER 49 CA -0.0189 -0.0159 -0.0246 376 SER 49 C -0.0191 -0.0176 -0.0217 377 SER 49 O -0.0181 -0.0174 -0.0191 378 SER 49 CB -0.0180 -0.0139 -0.0263 379 SER 49 OG -0.0167 -0.0128 -0.0246 380 HIS 50 N -0.0208 -0.0198 -0.0220 381 HIS 50 CA -0.0206 -0.0210 -0.0190 382 HIS 50 C -0.0193 -0.0203 -0.0167 383 HIS 50 O -0.0185 -0.0186 -0.0177 384 HIS 50 CB -0.0225 -0.0233 -0.0198 385 HIS 50 CG -0.0226 -0.0246 -0.0172 386 HIS 50 ND1 -0.0237 -0.0268 -0.0158 387 HIS 50 CD2 -0.0233 -0.0258 -0.0169 388 HIS 50 CE1 -0.0236 -0.0280 -0.0133 389 HIS 50 NE2 -0.0231 -0.0270 -0.0139 390 GLY 51 N -0.0186 -0.0203 -0.0146 391 GLY 51 CA -0.0171 -0.0195 -0.0119 392 GLY 51 C -0.0151 -0.0168 -0.0116 393 GLY 51 O -0.0139 -0.0159 -0.0101 394 SER 52 N -0.0130 -0.0145 -0.0125 395 SER 52 CA -0.0108 -0.0122 -0.0122 396 SER 52 C -0.0101 -0.0123 -0.0101 397 SER 52 O -0.0104 -0.0133 -0.0088 398 SER 52 CB -0.0111 -0.0114 -0.0146 399 SER 52 OG -0.0112 -0.0118 -0.0141 400 ALA 53 N -0.0081 -0.0104 -0.0094 401 ALA 53 CA -0.0071 -0.0103 -0.0071 402 ALA 53 C -0.0069 -0.0101 -0.0072 403 ALA 53 O -0.0068 -0.0108 -0.0053 404 ALA 53 CB -0.0049 -0.0080 -0.0068 405 GLN 54 N -0.0074 -0.0095 -0.0096 406 GLN 54 CA -0.0072 -0.0093 -0.0097 407 GLN 54 C -0.0091 -0.0117 -0.0091 408 GLN 54 O -0.0087 -0.0118 -0.0080 409 GLN 54 CB -0.0075 -0.0083 -0.0126 410 GLN 54 CG -0.0057 -0.0060 -0.0130 411 GLN 54 CD -0.0059 -0.0051 -0.0156 412 GLN 54 OE1 -0.0067 -0.0052 -0.0171 413 GLN 54 NE2 -0.0044 -0.0030 -0.0163 414 VAL 55 N -0.0095 -0.0109 -0.0078 415 VAL 55 CA -0.0109 -0.0122 -0.0073 416 VAL 55 C -0.0113 -0.0124 -0.0055 417 VAL 55 O -0.0120 -0.0130 -0.0047 418 VAL 55 CB -0.0114 -0.0128 -0.0085 419 VAL 55 CG1 -0.0128 -0.0140 -0.0080 420 VAL 55 CG2 -0.0114 -0.0128 -0.0103 421 LYS 56 N -0.0106 -0.0118 -0.0047 422 LYS 56 CA -0.0107 -0.0117 -0.0029 423 LYS 56 C -0.0108 -0.0117 -0.0021 424 LYS 56 O -0.0112 -0.0121 -0.0007 425 LYS 56 CB -0.0101 -0.0111 -0.0021 426 LYS 56 CG -0.0106 -0.0116 -0.0031 427 LYS 56 CD -0.0097 -0.0107 -0.0014 428 LYS 56 CE -0.0100 -0.0111 -0.0023 429 LYS 56 NZ -0.0093 -0.0103 -0.0009 430 GLY 57 N -0.0095 -0.0105 -0.0024 431 GLY 57 CA -0.0092 -0.0102 -0.0017 432 GLY 57 C -0.0102 -0.0112 -0.0020 433 GLY 57 O -0.0104 -0.0114 -0.0007 434 HIS 58 N -0.0105 -0.0088 -0.0027 435 HIS 58 CA -0.0117 -0.0103 -0.0029 436 HIS 58 C -0.0126 -0.0092 -0.0027 437 HIS 58 O -0.0143 -0.0098 -0.0027 438 HIS 58 CB -0.0100 -0.0120 -0.0031 439 HIS 58 CG -0.0114 -0.0139 -0.0033 440 HIS 58 ND1 -0.0132 -0.0148 -0.0033 441 HIS 58 CD2 -0.0110 -0.0148 -0.0034 442 HIS 58 CE1 -0.0137 -0.0160 -0.0035 443 HIS 58 NE2 -0.0124 -0.0162 -0.0035 444 GLY 59 N -0.0111 -0.0080 -0.0026 445 GLY 59 CA -0.0119 -0.0068 -0.0025 446 GLY 59 C -0.0136 -0.0057 -0.0023 447 GLY 59 O -0.0153 -0.0057 -0.0022 448 LYS 60 N -0.0140 -0.0047 -0.0021 449 LYS 60 CA -0.0160 -0.0038 -0.0020 450 LYS 60 C -0.0179 -0.0048 -0.0020 451 LYS 60 O -0.0195 -0.0045 -0.0019 452 LYS 60 CB -0.0158 -0.0022 -0.0018 453 LYS 60 CG -0.0175 -0.0012 -0.0016 454 LYS 60 CD -0.0168 0.0000 -0.0015 455 LYS 60 CE -0.0194 0.0013 -0.0012 456 LYS 60 NZ -0.0167 0.0028 -0.0012 457 LYS 61 N -0.0167 -0.0054 0.0022 458 LYS 61 CA -0.0178 -0.0063 0.0019 459 LYS 61 C -0.0178 -0.0065 0.0020 460 LYS 61 O -0.0190 -0.0063 0.0015 461 LYS 61 CB -0.0177 -0.0081 0.0024 462 LYS 61 CG -0.0183 -0.0086 0.0023 463 LYS 61 CD -0.0178 -0.0102 0.0028 464 LYS 61 CE -0.0179 -0.0105 0.0028 465 LYS 61 NZ -0.0176 -0.0123 0.0033 466 VAL 62 N -0.0165 -0.0062 0.0025 467 VAL 62 CA -0.0164 -0.0061 0.0025 468 VAL 62 C -0.0170 -0.0044 0.0019 469 VAL 62 O -0.0179 -0.0047 0.0016 470 VAL 62 CB -0.0148 -0.0061 0.0031 471 VAL 62 CG1 -0.0145 -0.0060 0.0032 472 VAL 62 CG2 -0.0145 -0.0078 0.0036 473 ALA 63 N -0.0165 -0.0035 0.0019 474 ALA 63 CA -0.0171 -0.0020 0.0013 475 ALA 63 C -0.0185 -0.0017 0.0007 476 ALA 63 O -0.0193 -0.0012 0.0002 477 ALA 63 CB -0.0159 -0.0008 0.0015 478 ASP 64 N -0.0147 -0.0023 0.0025 479 ASP 64 CA -0.0136 -0.0024 0.0017 480 ASP 64 C -0.0120 -0.0013 0.0026 481 ASP 64 O -0.0105 -0.0014 0.0018 482 ASP 64 CB -0.0157 -0.0030 0.0019 483 ASP 64 CG -0.0174 -0.0049 -0.0004 484 ASP 64 OD1 -0.0163 -0.0051 -0.0012 485 ASP 64 OD2 -0.0192 -0.0050 0.0004 486 ALA 65 N -0.0126 -0.0001 0.0049 487 ALA 65 CA -0.0108 0.0010 0.0058 488 ALA 65 C -0.0083 0.0015 0.0053 489 ALA 65 O -0.0069 0.0019 0.0052 490 ALA 65 CB -0.0116 0.0023 0.0082 491 LEU 66 N -0.0087 0.0012 0.0050 492 LEU 66 CA -0.0064 0.0016 0.0044 493 LEU 66 C -0.0054 0.0006 0.0023 494 LEU 66 O -0.0033 0.0010 0.0019 495 LEU 66 CB -0.0068 0.0016 0.0046 496 LEU 66 CG -0.0073 0.0028 0.0068 497 LEU 66 CD1 -0.0080 0.0025 0.0067 498 LEU 66 CD2 -0.0055 0.0041 0.0080 499 THR 67 N -0.0088 0.0012 0.0033 500 THR 67 CA -0.0067 -0.0014 0.0022 501 THR 67 C -0.0032 -0.0004 0.0016 502 THR 67 O -0.0003 -0.0007 0.0008 503 THR 67 CB -0.0082 -0.0045 0.0019 504 THR 67 OG1 -0.0103 -0.0056 0.0022 505 THR 67 CG2 -0.0052 -0.0065 0.0007 506 ASN 68 N -0.0033 0.0014 0.0021 507 ASN 68 CA -0.0002 0.0028 0.0016 508 ASN 68 C 0.0014 0.0051 0.0017 509 ASN 68 O 0.0046 0.0052 0.0010 510 ASN 68 CB -0.0008 0.0047 0.0022 511 ASN 68 CG 0.0022 0.0065 0.0019 512 ASN 68 OD1 0.0045 0.0053 0.0010 513 ASN 68 ND2 0.0018 0.0089 0.0025 514 ALA 69 N -0.0004 0.0072 0.0026 515 ALA 69 CA 0.0015 0.0096 0.0027 516 ALA 69 C 0.0028 0.0077 0.0020 517 ALA 69 O 0.0051 0.0086 0.0016 518 ALA 69 CB -0.0010 0.0113 0.0037 519 VAL 70 N -0.0026 0.0088 0.0030 520 VAL 70 CA -0.0023 0.0080 0.0030 521 VAL 70 C 0.0003 0.0066 0.0018 522 VAL 70 O 0.0013 0.0074 0.0010 523 VAL 70 CB -0.0040 0.0062 0.0045 524 VAL 70 CG1 -0.0042 0.0048 0.0050 525 VAL 70 CG2 -0.0067 0.0078 0.0058 526 ALA 71 N 0.0016 0.0050 0.0014 527 ALA 71 CA 0.0044 0.0037 0.0000 528 ALA 71 C 0.0055 0.0058 -0.0011 529 ALA 71 O 0.0078 0.0052 -0.0024 530 ALA 71 CB 0.0047 0.0019 0.0003 531 HIS 72 N 0.0054 0.0083 -0.0017 532 HIS 72 CA 0.0070 0.0102 -0.0032 533 HIS 72 C 0.0061 0.0129 -0.0033 534 HIS 72 O 0.0061 0.0153 -0.0039 535 HIS 72 CB 0.0079 0.0111 -0.0040 536 HIS 72 CG 0.0085 0.0083 -0.0036 537 HIS 72 ND1 0.0117 0.0068 -0.0052 538 HIS 72 CD2 0.0084 0.0059 -0.0030 539 HIS 72 CE1 0.0121 0.0039 -0.0048 540 HIS 72 NE2 0.0105 0.0032 -0.0036 541 VAL 73 N 0.0039 0.0114 -0.0005 542 VAL 73 CA 0.0023 0.0144 -0.0001 543 VAL 73 C 0.0029 0.0162 -0.0020 544 VAL 73 O 0.0026 0.0183 -0.0029 545 VAL 73 CB 0.0009 0.0147 0.0016 546 VAL 73 CG1 0.0014 0.0143 0.0012 547 VAL 73 CG2 -0.0010 0.0161 0.0034 548 ASP 74 N 0.0047 0.0156 -0.0040 549 ASP 74 CA 0.0056 0.0178 -0.0067 550 ASP 74 C 0.0066 0.0173 -0.0077 551 ASP 74 O 0.0073 0.0193 -0.0099 552 ASP 74 CB 0.0073 0.0168 -0.0084 553 ASP 74 CG 0.0061 0.0175 -0.0072 554 ASP 74 OD1 0.0051 0.0188 -0.0066 555 ASP 74 OD2 0.0065 0.0150 -0.0062 556 ASP 75 N 0.0071 0.0160 -0.0076 557 ASP 75 CA 0.0079 0.0162 -0.0089 558 ASP 75 C 0.0071 0.0145 -0.0068 559 ASP 75 O 0.0083 0.0128 -0.0074 560 ASP 75 CB 0.0103 0.0126 -0.0099 561 ASP 75 CG 0.0106 0.0136 -0.0109 562 ASP 75 OD1 0.0122 0.0149 -0.0139 563 ASP 75 OD2 0.0126 0.0102 -0.0116 564 MET 76 N 0.0054 0.0134 -0.0035 565 MET 76 CA 0.0054 0.0116 -0.0009 566 MET 76 C 0.0060 0.0113 -0.0023 567 MET 76 O 0.0069 0.0088 -0.0015 568 MET 76 CB 0.0033 0.0143 0.0014 569 MET 76 CG 0.0031 0.0135 0.0033 570 MET 76 SD 0.0008 0.0154 0.0073 571 MET 76 CE -0.0006 0.0184 0.0072 572 PRO 77 N 0.0059 0.0131 -0.0046 573 PRO 77 CA 0.0070 0.0121 -0.0064 574 PRO 77 C 0.0085 0.0093 -0.0071 575 PRO 77 O 0.0093 0.0074 -0.0067 576 PRO 77 CB 0.0067 0.0149 -0.0094 577 PRO 77 CG 0.0050 0.0172 -0.0077 578 PRO 77 CD 0.0048 0.0163 -0.0058 579 ASN 78 N 0.0097 0.0082 -0.0089 580 ASN 78 CA 0.0114 0.0056 -0.0103 581 ASN 78 C 0.0116 0.0032 -0.0074 582 ASN 78 O 0.0126 0.0005 -0.0066 583 ASN 78 CB 0.0126 0.0048 -0.0128 584 ASN 78 CG 0.0130 0.0054 -0.0148 585 ASN 78 OD1 0.0118 0.0098 -0.0173 586 ASN 78 ND2 0.0136 0.0053 -0.0165 587 ALA 79 N 0.0079 0.0066 -0.0058 588 ALA 79 CA 0.0089 0.0048 -0.0022 589 ALA 79 C 0.0102 0.0026 0.0007 590 ALA 79 O 0.0118 -0.0004 0.0020 591 ALA 79 CB 0.0078 0.0072 0.0000 592 LEU 80 N 0.0092 0.0045 0.0011 593 LEU 80 CA 0.0098 0.0035 0.0039 594 LEU 80 C 0.0110 0.0011 0.0011 595 LEU 80 O 0.0112 0.0007 0.0027 596 LEU 80 CB 0.0083 0.0066 0.0063 597 LEU 80 CG 0.0074 0.0084 0.0093 598 LEU 80 CD1 0.0059 0.0116 0.0112 599 LEU 80 CD2 0.0092 0.0052 0.0124 600 SER 81 N 0.0113 0.0002 -0.0031 601 SER 81 CA 0.0117 -0.0007 -0.0054 602 SER 81 C 0.0136 -0.0042 -0.0038 603 SER 81 O 0.0138 -0.0046 -0.0037 604 SER 81 CB 0.0125 -0.0026 -0.0100 605 SER 81 OG 0.0124 -0.0026 -0.0123 606 ALA 82 N 0.0182 -0.0079 -0.0001 607 ALA 82 CA 0.0200 -0.0102 0.0010 608 ALA 82 C 0.0200 -0.0096 0.0029 609 ALA 82 O 0.0210 -0.0109 0.0034 610 ALA 82 CB 0.0213 -0.0117 0.0024 611 LEU 83 N 0.0192 -0.0077 0.0053 612 LEU 83 CA 0.0195 -0.0073 0.0077 613 LEU 83 C 0.0183 -0.0058 0.0068 614 LEU 83 O 0.0188 -0.0063 0.0078 615 LEU 83 CB 0.0186 -0.0052 0.0100 616 LEU 83 CG 0.0193 -0.0054 0.0127 617 LEU 83 CD1 0.0213 -0.0082 0.0132 618 LEU 83 CD2 0.0190 -0.0043 0.0147 619 SER 84 N 0.0169 -0.0045 0.0045 620 SER 84 CA 0.0161 -0.0037 0.0033 621 SER 84 C 0.0172 -0.0058 0.0016 622 SER 84 O 0.0171 -0.0056 0.0019 623 SER 84 CB 0.0141 -0.0015 0.0005 624 SER 84 OG 0.0140 -0.0016 0.0000 625 ASP 85 N 0.0216 -0.0098 -0.0006 626 ASP 85 CA 0.0238 -0.0116 -0.0034 627 ASP 85 C 0.0257 -0.0128 -0.0014 628 ASP 85 O 0.0258 -0.0130 -0.0024 629 ASP 85 CB 0.0260 -0.0133 -0.0044 630 ASP 85 CG 0.0240 -0.0120 -0.0074 631 ASP 85 OD1 0.0231 -0.0115 -0.0091 632 ASP 85 OD2 0.0260 -0.0136 -0.0082 633 LEU 86 N 0.0266 -0.0132 0.0024 634 LEU 86 CA 0.0284 -0.0143 0.0045 635 LEU 86 C 0.0269 -0.0132 0.0051 636 LEU 86 O 0.0280 -0.0140 0.0051 637 LEU 86 CB 0.0294 -0.0147 0.0083 638 LEU 86 CG 0.0308 -0.0156 0.0105 639 LEU 86 CD1 0.0341 -0.0181 0.0097 640 LEU 86 CD2 0.0316 -0.0159 0.0149 641 HIS 87 N 0.0238 -0.0108 0.0061 642 HIS 87 CA 0.0225 -0.0098 0.0072 643 HIS 87 C 0.0214 -0.0093 0.0031 644 HIS 87 O 0.0216 -0.0094 0.0035 645 HIS 87 CB 0.0193 -0.0073 0.0089 646 HIS 87 CG 0.0203 -0.0077 0.0132 647 HIS 87 ND1 0.0212 -0.0083 0.0142 648 HIS 87 CD2 0.0202 -0.0074 0.0165 649 HIS 87 CE1 0.0219 -0.0086 0.0178 650 HIS 87 NE2 0.0211 -0.0079 0.0194 651 ALA 88 N 0.0203 -0.0106 0.0031 652 ALA 88 CA 0.0195 -0.0088 -0.0008 653 ALA 88 C 0.0224 -0.0095 -0.0028 654 ALA 88 O 0.0212 -0.0083 -0.0048 655 ALA 88 CB 0.0189 -0.0078 -0.0031 656 HIS 89 N 0.0254 -0.0112 -0.0023 657 HIS 89 CA 0.0281 -0.0117 -0.0044 658 HIS 89 C 0.0297 -0.0129 -0.0032 659 HIS 89 O 0.0309 -0.0130 -0.0049 660 HIS 89 CB 0.0308 -0.0125 -0.0060 661 HIS 89 CG 0.0296 -0.0112 -0.0083 662 HIS 89 ND1 0.0274 -0.0092 -0.0109 663 HIS 89 CD2 0.0298 -0.0112 -0.0082 664 HIS 89 CE1 0.0257 -0.0078 -0.0123 665 HIS 89 NE2 0.0278 -0.0095 -0.0106 666 LYS 90 N 0.0296 -0.0141 0.0003 667 LYS 90 CA 0.0304 -0.0152 0.0023 668 LYS 90 C 0.0285 -0.0150 0.0046 669 LYS 90 O 0.0277 -0.0144 0.0038 670 LYS 90 CB 0.0334 -0.0175 0.0047 671 LYS 90 CG 0.0368 -0.0181 0.0017 672 LYS 90 CD 0.0385 -0.0181 -0.0006 673 LYS 90 CE 0.0424 -0.0200 -0.0007 674 LYS 90 NZ 0.0428 -0.0182 -0.0063 675 LEU 91 N 0.0203 -0.0092 0.0031 676 LEU 91 CA 0.0193 -0.0093 0.0040 677 LEU 91 C 0.0183 -0.0082 0.0037 678 LEU 91 O 0.0176 -0.0081 0.0040 679 LEU 91 CB 0.0189 -0.0098 0.0050 680 LEU 91 CG 0.0198 -0.0109 0.0055 681 LEU 91 CD1 0.0196 -0.0113 0.0061 682 LEU 91 CD2 0.0201 -0.0114 0.0058 683 ARG 92 N 0.0182 -0.0076 0.0031 684 ARG 92 CA 0.0173 -0.0065 0.0025 685 ARG 92 C 0.0162 -0.0064 0.0032 686 ARG 92 O 0.0154 -0.0058 0.0032 687 ARG 92 CB 0.0178 -0.0061 0.0016 688 ARG 92 CG 0.0187 -0.0060 0.0007 689 ARG 92 CD 0.0198 -0.0065 0.0004 690 ARG 92 NE 0.0195 -0.0057 -0.0002 691 ARG 92 CZ 0.0208 -0.0061 -0.0008 692 ARG 92 NH1 0.0207 -0.0070 0.0003 693 ARG 92 NH2 0.0207 -0.0055 -0.0014 694 VAL 93 N 0.0157 -0.0067 0.0040 695 VAL 93 CA 0.0146 -0.0067 0.0048 696 VAL 93 C 0.0139 -0.0058 0.0044 697 VAL 93 O 0.0140 -0.0055 0.0039 698 VAL 93 CB 0.0146 -0.0075 0.0057 699 VAL 93 CG1 0.0134 -0.0073 0.0065 700 VAL 93 CG2 0.0154 -0.0085 0.0062 701 ASP 94 N 0.0136 -0.0014 0.0001 702 ASP 94 CA 0.0127 -0.0022 -0.0003 703 ASP 94 C 0.0121 -0.0030 0.0009 704 ASP 94 O 0.0120 -0.0031 0.0012 705 ASP 94 CB 0.0121 -0.0024 -0.0015 706 ASP 94 CG 0.0113 -0.0031 -0.0019 707 ASP 94 OD1 0.0114 -0.0028 -0.0026 708 ASP 94 OD2 0.0106 -0.0039 -0.0014 709 PRO 95 N 0.0116 -0.0036 0.0012 710 PRO 95 CA 0.0111 -0.0043 0.0023 711 PRO 95 C 0.0104 -0.0049 0.0020 712 PRO 95 O 0.0101 -0.0054 0.0030 713 PRO 95 CB 0.0106 -0.0047 0.0023 714 PRO 95 CG 0.0113 -0.0040 0.0020 715 PRO 95 CD 0.0117 -0.0034 0.0010 716 VAL 96 N 0.0100 -0.0050 0.0009 717 VAL 96 CA 0.0092 -0.0057 0.0008 718 VAL 96 C 0.0094 -0.0057 0.0014 719 VAL 96 O 0.0090 -0.0062 0.0018 720 VAL 96 CB 0.0088 -0.0058 -0.0007 721 VAL 96 CG1 0.0091 -0.0053 -0.0014 722 VAL 96 CG2 0.0081 -0.0064 -0.0006 723 ASN 97 N 0.0094 -0.0041 0.0004 724 ASN 97 CA 0.0103 -0.0025 0.0005 725 ASN 97 C 0.0096 -0.0018 0.0031 726 ASN 97 O 0.0100 -0.0012 0.0031 727 ASN 97 CB 0.0118 -0.0005 -0.0000 728 ASN 97 CG 0.0125 -0.0009 -0.0024 729 ASN 97 OD1 0.0131 -0.0009 -0.0039 730 ASN 97 ND2 0.0124 -0.0012 -0.0028 731 PHE 98 N 0.0086 -0.0025 0.0046 732 PHE 98 CA 0.0079 -0.0021 0.0069 733 PHE 98 C 0.0070 -0.0035 0.0070 734 PHE 98 O 0.0069 -0.0027 0.0082 735 PHE 98 CB 0.0069 -0.0024 0.0087 736 PHE 98 CG 0.0078 -0.0009 0.0088 737 PHE 98 CD1 0.0080 0.0006 0.0106 738 PHE 98 CD2 0.0083 -0.0011 0.0074 739 PHE 98 CE1 0.0088 0.0020 0.0109 740 PHE 98 CE2 0.0093 0.0007 0.0076 741 PHE 98 CZ 0.0094 0.0020 0.0093 742 LYS 99 N 0.0064 -0.0053 0.0057 743 LYS 99 CA 0.0057 -0.0065 0.0055 744 LYS 99 C 0.0066 -0.0059 0.0044 745 LYS 99 O 0.0061 -0.0059 0.0054 746 LYS 99 CB 0.0048 -0.0088 0.0043 747 LYS 99 CG 0.0042 -0.0095 0.0047 748 LYS 99 CD 0.0033 -0.0110 0.0045 749 LYS 99 CE 0.0037 -0.0123 0.0017 750 LYS 99 NZ 0.0016 -0.0149 0.0029 751 LEU 100 N 0.0029 -0.0062 -0.0006 752 LEU 100 CA 0.0039 -0.0056 -0.0006 753 LEU 100 C 0.0040 -0.0045 -0.0000 754 LEU 100 O 0.0043 -0.0038 0.0003 755 LEU 100 CB 0.0050 -0.0062 -0.0012 756 LEU 100 CG 0.0049 -0.0073 -0.0017 757 LEU 100 CD1 0.0061 -0.0078 -0.0023 758 LEU 100 CD2 0.0051 -0.0073 -0.0018 759 LEU 101 N 0.0038 -0.0043 0.0002 760 LEU 101 CA 0.0038 -0.0033 0.0007 761 LEU 101 C 0.0028 -0.0027 0.0013 762 LEU 101 O 0.0029 -0.0018 0.0017 763 LEU 101 CB 0.0036 -0.0034 0.0007 764 LEU 101 CG 0.0036 -0.0022 0.0013 765 LEU 101 CD1 0.0045 -0.0014 0.0015 766 LEU 101 CD2 0.0033 -0.0024 0.0013 767 SER 102 N 0.0017 -0.0033 0.0012 768 SER 102 CA 0.0008 -0.0029 0.0017 769 SER 102 C 0.0012 -0.0024 0.0018 770 SER 102 O 0.0009 -0.0015 0.0024 771 SER 102 CB -0.0002 -0.0037 0.0015 772 SER 102 OG -0.0008 -0.0040 0.0015 773 HIS 103 N -0.0018 -0.0056 0.0011 774 HIS 103 CA -0.0011 -0.0057 0.0006 775 HIS 103 C -0.0009 -0.0047 0.0002 776 HIS 103 O -0.0007 -0.0042 -0.0001 777 HIS 103 CB -0.0005 -0.0064 0.0003 778 HIS 103 CG 0.0002 -0.0063 -0.0003 779 HIS 103 ND1 0.0008 -0.0061 -0.0008 780 HIS 103 CD2 0.0004 -0.0064 -0.0004 781 HIS 103 CE1 0.0013 -0.0061 -0.0012 782 HIS 103 NE2 0.0011 -0.0063 -0.0010 783 CYS 104 N -0.0009 -0.0043 0.0000 784 CYS 104 CA -0.0007 -0.0033 -0.0005 785 CYS 104 C -0.0013 -0.0026 -0.0002 786 CYS 104 O -0.0010 -0.0020 -0.0006 787 CYS 104 CB -0.0005 -0.0032 -0.0006 788 CYS 104 SG 0.0003 -0.0039 -0.0010 789 LEU 105 N -0.0019 -0.0027 0.0004 790 LEU 105 CA -0.0024 -0.0020 0.0005 791 LEU 105 C -0.0024 -0.0020 0.0005 792 LEU 105 O -0.0023 -0.0014 0.0003 793 LEU 105 CB -0.0032 -0.0021 0.0012 794 LEU 105 CG -0.0037 -0.0016 0.0014 795 LEU 105 CD1 -0.0043 -0.0021 0.0021 796 LEU 105 CD2 -0.0037 -0.0008 0.0012 797 LEU 106 N -0.0032 0.0015 0.0030 798 LEU 106 CA -0.0025 0.0012 0.0025 799 LEU 106 C -0.0024 0.0011 0.0020 800 LEU 106 O -0.0022 0.0010 0.0012 801 LEU 106 CB -0.0017 0.0012 0.0031 802 LEU 106 CG -0.0012 0.0011 0.0034 803 LEU 106 CD1 -0.0006 0.0011 0.0039 804 LEU 106 CD2 -0.0011 0.0011 0.0031 805 VAL 107 N -0.0027 0.0012 0.0020 806 VAL 107 CA -0.0029 0.0011 0.0015 807 VAL 107 C -0.0034 0.0011 0.0008 808 VAL 107 O -0.0033 0.0010 0.0001 809 VAL 107 CB -0.0032 0.0013 0.0018 810 VAL 107 CG1 -0.0034 0.0012 0.0012 811 VAL 107 CG2 -0.0025 0.0012 0.0024 812 THR 108 N -0.0040 0.0013 0.0009 813 THR 108 CA -0.0046 0.0013 0.0003 814 THR 108 C -0.0042 0.0011 -0.0002 815 THR 108 O -0.0043 0.0010 -0.0009 816 THR 108 CB -0.0054 0.0015 0.0008 817 THR 108 OG1 -0.0058 0.0017 0.0012 818 THR 108 CG2 -0.0059 0.0015 0.0001 819 LEU 109 N -0.0062 0.0047 0.0031 820 LEU 109 CA -0.0063 0.0050 0.0028 821 LEU 109 C -0.0055 0.0051 0.0023 822 LEU 109 O -0.0055 0.0056 0.0017 823 LEU 109 CB -0.0067 0.0047 0.0034 824 LEU 109 CG -0.0076 0.0047 0.0038 825 LEU 109 CD1 -0.0078 0.0042 0.0044 826 LEU 109 CD2 -0.0081 0.0052 0.0035 827 ALA 110 N -0.0048 0.0046 0.0026 828 ALA 110 CA -0.0040 0.0047 0.0021 829 ALA 110 C -0.0038 0.0052 0.0015 830 ALA 110 O -0.0035 0.0056 0.0009 831 ALA 110 CB -0.0033 0.0041 0.0025 832 ALA 111 N -0.0039 0.0053 0.0013 833 ALA 111 CA -0.0038 0.0057 0.0008 834 ALA 111 C -0.0043 0.0064 0.0003 835 ALA 111 O -0.0041 0.0068 -0.0003 836 ALA 111 CB -0.0038 0.0057 0.0009 837 HIS 112 N -0.0056 0.0090 -0.0008 838 HIS 112 CA -0.0063 0.0101 -0.0011 839 HIS 112 C -0.0068 0.0103 -0.0010 840 HIS 112 O -0.0072 0.0114 -0.0013 841 HIS 112 CB -0.0073 0.0101 -0.0007 842 HIS 112 CG -0.0068 0.0101 -0.0009 843 HIS 112 ND1 -0.0068 0.0112 -0.0014 844 HIS 112 CD2 -0.0066 0.0094 -0.0006 845 HIS 112 CE1 -0.0063 0.0108 -0.0014 846 HIS 112 NE2 -0.0061 0.0097 -0.0009 847 LEU 113 N -0.0068 0.0097 -0.0007 848 LEU 113 CA -0.0075 0.0100 -0.0006 849 LEU 113 C -0.0066 0.0098 -0.0008 850 LEU 113 O -0.0068 0.0091 -0.0004 851 LEU 113 CB -0.0082 0.0093 0.0001 852 LEU 113 CG -0.0093 0.0094 0.0005 853 LEU 113 CD1 -0.0104 0.0088 0.0011 854 LEU 113 CD2 -0.0098 0.0106 0.0001 855 PRO 114 N -0.0057 0.0102 -0.0013 856 PRO 114 CA -0.0048 0.0099 -0.0016 857 PRO 114 C -0.0054 0.0102 -0.0014 858 PRO 114 O -0.0052 0.0094 -0.0012 859 PRO 114 CB -0.0043 0.0109 -0.0022 860 PRO 114 CG -0.0049 0.0118 -0.0024 861 PRO 114 CD -0.0057 0.0111 -0.0018 862 ALA 115 N -0.0028 0.0113 -0.0038 863 ALA 115 CA -0.0024 0.0114 -0.0041 864 ALA 115 C -0.0027 0.0107 -0.0028 865 ALA 115 O -0.0021 0.0104 -0.0025 866 ALA 115 CB -0.0034 0.0123 -0.0052 867 GLU 116 N -0.0039 0.0105 -0.0019 868 GLU 116 CA -0.0046 0.0099 -0.0007 869 GLU 116 C -0.0039 0.0089 0.0007 870 GLU 116 O -0.0041 0.0083 0.0017 871 GLU 116 CB -0.0065 0.0102 -0.0003 872 GLU 116 CG -0.0075 0.0111 -0.0013 873 GLU 116 CD -0.0072 0.0117 -0.0024 874 GLU 116 OE1 -0.0068 0.0116 -0.0026 875 GLU 116 OE2 -0.0081 0.0126 -0.0036 876 PHE 117 N -0.0031 0.0086 0.0009 877 PHE 117 CA -0.0024 0.0077 0.0020 878 PHE 117 C -0.0007 0.0071 0.0022 879 PHE 117 O 0.0003 0.0068 0.0024 880 PHE 117 CB -0.0024 0.0076 0.0022 881 PHE 117 CG -0.0024 0.0067 0.0037 882 PHE 117 CD1 -0.0037 0.0065 0.0047 883 PHE 117 CD2 -0.0009 0.0061 0.0040 884 PHE 117 CE1 -0.0036 0.0056 0.0060 885 PHE 117 CE2 -0.0008 0.0052 0.0055 886 PHE 117 CZ -0.0022 0.0051 0.0063 887 THR 118 N 0.0019 0.0086 0.0053 888 THR 118 CA 0.0032 0.0091 0.0054 889 THR 118 C 0.0034 0.0095 0.0068 890 THR 118 O 0.0029 0.0094 0.0073 891 THR 118 CB 0.0038 0.0091 0.0045 892 THR 118 OG1 0.0037 0.0090 0.0045 893 THR 118 CG2 0.0038 0.0087 0.0031 894 PRO 119 N 0.0046 0.0100 0.0070 895 PRO 119 CA 0.0051 0.0104 0.0083 896 PRO 119 C 0.0050 0.0104 0.0085 897 PRO 119 O 0.0046 0.0105 0.0094 898 PRO 119 CB 0.0064 0.0109 0.0084 899 PRO 119 CG 0.0063 0.0107 0.0077 900 PRO 119 CD 0.0054 0.0101 0.0065 901 ALA 120 N 0.0054 0.0103 0.0074 902 ALA 120 CA 0.0054 0.0103 0.0074 903 ALA 120 C 0.0041 0.0099 0.0075 904 ALA 120 O 0.0038 0.0099 0.0083 905 ALA 120 CB 0.0062 0.0104 0.0063 906 VAL 121 N 0.0032 0.0096 0.0065 907 VAL 121 CA 0.0029 0.0101 0.0066 908 VAL 121 C 0.0032 0.0097 0.0065 909 VAL 121 O 0.0028 0.0096 0.0068 910 VAL 121 CB 0.0029 0.0110 0.0062 911 VAL 121 CG1 0.0026 0.0115 0.0062 912 VAL 121 CG2 0.0024 0.0114 0.0064 913 HIS 122 N 0.0038 0.0095 0.0061 914 HIS 122 CA 0.0043 0.0090 0.0059 915 HIS 122 C 0.0038 0.0084 0.0065 916 HIS 122 O 0.0038 0.0082 0.0066 917 HIS 122 CB 0.0050 0.0088 0.0054 918 HIS 122 CG 0.0054 0.0083 0.0053 919 HIS 122 ND1 0.0062 0.0083 0.0048 920 HIS 122 CD2 0.0054 0.0080 0.0055 921 HIS 122 CE1 0.0065 0.0078 0.0047 922 HIS 122 NE2 0.0060 0.0076 0.0051 923 ALA 123 N 0.0038 0.0079 0.0067 924 ALA 123 CA 0.0035 0.0072 0.0071 925 ALA 123 C 0.0028 0.0074 0.0076 926 ALA 123 O 0.0026 0.0070 0.0079 927 ALA 123 CB 0.0035 0.0067 0.0073 928 SER 124 N 0.0022 0.0095 0.0066 929 SER 124 CA 0.0014 0.0094 0.0066 930 SER 124 C 0.0018 0.0090 0.0066 931 SER 124 O 0.0013 0.0083 0.0065 932 SER 124 CB 0.0007 0.0103 0.0065 933 SER 124 OG 0.0003 0.0105 0.0065 934 LEU 125 N 0.0026 0.0095 0.0066 935 LEU 125 CA 0.0029 0.0091 0.0066 936 LEU 125 C 0.0033 0.0082 0.0067 937 LEU 125 O 0.0032 0.0076 0.0066 938 LEU 125 CB 0.0037 0.0098 0.0067 939 LEU 125 CG 0.0035 0.0109 0.0067 940 LEU 125 CD1 0.0043 0.0115 0.0068 941 LEU 125 CD2 0.0029 0.0108 0.0067 942 ASP 126 N 0.0038 0.0078 0.0067 943 ASP 126 CA 0.0042 0.0068 0.0067 944 ASP 126 C 0.0034 0.0061 0.0066 945 ASP 126 O 0.0033 0.0053 0.0066 946 ASP 126 CB 0.0048 0.0067 0.0067 947 ASP 126 CG 0.0054 0.0057 0.0067 948 ASP 126 OD1 0.0058 0.0055 0.0068 949 ASP 126 OD2 0.0052 0.0051 0.0067 950 LYS 127 N 0.0049 0.0093 0.0086 951 LYS 127 CA 0.0043 0.0089 0.0086 952 LYS 127 C 0.0030 0.0084 0.0084 953 LYS 127 O 0.0024 0.0077 0.0090 954 LYS 127 CB 0.0048 0.0096 0.0081 955 LYS 127 CG 0.0046 0.0095 0.0081 956 LYS 127 CD 0.0057 0.0104 0.0077 957 LYS 127 CE 0.0048 0.0101 0.0075 958 LYS 127 NZ 0.0052 0.0107 0.0069 959 PHE 128 N 0.0026 0.0087 0.0076 960 PHE 128 CA 0.0013 0.0083 0.0073 961 PHE 128 C 0.0010 0.0075 0.0082 962 PHE 128 O 0.0001 0.0068 0.0085 963 PHE 128 CB 0.0011 0.0089 0.0063 964 PHE 128 CG -0.0002 0.0084 0.0060 965 PHE 128 CD1 -0.0012 0.0081 0.0057 966 PHE 128 CD2 -0.0003 0.0083 0.0061 967 PHE 128 CE1 -0.0022 0.0077 0.0055 968 PHE 128 CE2 -0.0013 0.0080 0.0057 969 PHE 128 CZ -0.0022 0.0077 0.0054 970 LEU 129 N 0.0018 0.0076 0.0087 971 LEU 129 CA 0.0014 0.0068 0.0095 972 LEU 129 C 0.0015 0.0062 0.0105 973 LEU 129 O 0.0009 0.0054 0.0110 974 LEU 129 CB 0.0021 0.0070 0.0097 975 LEU 129 CG 0.0019 0.0076 0.0088 976 LEU 129 CD1 0.0027 0.0079 0.0089 977 LEU 129 CD2 0.0006 0.0069 0.0086 978 ALA 130 N 0.0026 0.0079 0.0098 979 ALA 130 CA 0.0024 0.0078 0.0093 980 ALA 130 C 0.0026 0.0079 0.0093 981 ALA 130 O 0.0028 0.0079 0.0089 982 ALA 130 CB 0.0019 0.0076 0.0092 983 SER 131 N 0.0025 0.0079 0.0098 984 SER 131 CA 0.0027 0.0080 0.0098 985 SER 131 C 0.0033 0.0082 0.0098 986 SER 131 O 0.0034 0.0082 0.0095 987 SER 131 CB 0.0025 0.0080 0.0104 988 SER 131 OG 0.0020 0.0078 0.0103 989 VAL 132 N 0.0035 0.0083 0.0101 990 VAL 132 CA 0.0040 0.0085 0.0100 991 VAL 132 C 0.0042 0.0085 0.0095 992 VAL 132 O 0.0045 0.0086 0.0092 993 VAL 132 CB 0.0042 0.0086 0.0103 994 VAL 132 CG1 0.0048 0.0088 0.0103 995 VAL 132 CG2 0.0042 0.0087 0.0109 996 SER 133 N 0.0050 0.0057 0.0095 997 SER 133 CA 0.0048 0.0062 0.0091 998 SER 133 C 0.0050 0.0070 0.0075 999 SER 133 O 0.0056 0.0067 0.0070 1000 SER 133 CB 0.0035 0.0068 0.0101 1001 SER 133 OG 0.0033 0.0061 0.0115 1002 THR 134 N 0.0048 0.0077 0.0068 1003 THR 134 CA 0.0051 0.0083 0.0054 1004 THR 134 C 0.0062 0.0076 0.0046 1005 THR 134 O 0.0067 0.0078 0.0035 1006 THR 134 CB 0.0044 0.0092 0.0052 1007 THR 134 OG1 0.0033 0.0101 0.0056 1008 THR 134 CG2 0.0048 0.0100 0.0035 1009 VAL 135 N 0.0070 0.0067 0.0048 1010 VAL 135 CA 0.0082 0.0059 0.0040 1011 VAL 135 C 0.0088 0.0051 0.0044 1012 VAL 135 O 0.0095 0.0050 0.0033 1013 VAL 135 CB 0.0087 0.0050 0.0045 1014 VAL 135 CG1 0.0100 0.0040 0.0040 1015 VAL 135 CG2 0.0083 0.0058 0.0042 1016 LEU 136 N 0.0097 0.0030 0.0068 1017 LEU 136 CA 0.0113 0.0018 0.0068 1018 LEU 136 C 0.0115 0.0013 0.0052 1019 LEU 136 O 0.0130 0.0001 0.0049 1020 LEU 136 CB 0.0120 0.0017 0.0091 1021 LEU 136 CG 0.0129 0.0015 0.0106 1022 LEU 136 CD1 0.0130 0.0018 0.0126 1023 LEU 136 CD2 0.0137 0.0007 0.0098 1024 THR 137 N 0.0101 0.0023 0.0047 1025 THR 137 CA 0.0100 0.0020 0.0033 1026 THR 137 C 0.0093 0.0021 0.0013 1027 THR 137 O 0.0092 0.0019 -0.0002 1028 THR 137 CB 0.0081 0.0036 0.0041 1029 THR 137 OG1 0.0097 0.0027 0.0058 1030 THR 137 CG2 0.0074 0.0043 0.0049 1031 SER 138 N 0.0090 0.0022 0.0007 1032 SER 138 CA 0.0082 0.0023 -0.0011 1033 SER 138 C 0.0091 0.0012 -0.0032 1034 SER 138 O 0.0082 0.0016 -0.0047 1035 SER 138 CB 0.0084 0.0023 -0.0011 1036 SER 138 OG 0.0070 0.0033 -0.0011 1037 LYS 139 N 0.0124 -0.0010 -0.0038 1038 LYS 139 CA 0.0125 -0.0021 -0.0046 1039 LYS 139 C 0.0126 -0.0023 -0.0036 1040 LYS 139 O 0.0128 -0.0033 -0.0038 1041 LYS 139 CB 0.0128 -0.0033 -0.0052 1042 LYS 139 CG 0.0127 -0.0029 -0.0061 1043 LYS 139 CD 0.0129 -0.0042 -0.0064 1044 LYS 139 CE 0.0129 -0.0039 -0.0075 1045 LYS 139 NZ 0.0132 -0.0055 -0.0073 1046 TYR 140 N 0.0125 -0.0017 -0.0024 1047 TYR 140 CA 0.0125 -0.0020 -0.0015 1048 TYR 140 C 0.0125 -0.0019 -0.0019 1049 TYR 140 O 0.0127 -0.0028 -0.0015 1050 TYR 140 CB 0.0124 -0.0011 -0.0000 1051 TYR 140 CG 0.0125 -0.0017 0.0010 1052 TYR 140 CD1 0.0125 -0.0017 0.0025 1053 TYR 140 CD2 0.0126 -0.0022 0.0008 1054 TYR 140 CE1 0.0126 -0.0022 0.0035 1055 TYR 140 CE2 0.0127 -0.0027 0.0019 1056 TYR 140 CZ 0.0127 -0.0026 0.0034 1057 TYR 140 OH 0.0127 -0.0030 0.0042 1058 ARG 141 N 0.0124 -0.0011 -0.0029 1059 ARG 141 CA 0.0123 -0.0008 -0.0036 1060 ARG 141 C 0.0122 -0.0003 -0.0052 1061 ARG 141 O 0.0121 0.0003 -0.0054 1062 ARG 141 CB 0.0122 -0.0003 -0.0026 1063 ARG 141 CG 0.0119 0.0014 -0.0023 1064 ARG 141 CD 0.0118 0.0019 -0.0014 1065 ARG 141 NE 0.0116 0.0032 -0.0011 1066 ARG 141 CZ 0.0114 0.0041 -0.0006 1067 ARG 141 NH1 0.0115 0.0040 0.0000 1068 ARG 141 NH2 0.0112 0.0054 -0.0004 1069 ARG 141 OXT 0.0122 -0.0004 -0.0056 1070 VAL 1 N 0.0012 -0.0176 -0.0055 1071 VAL 1 CA -0.0006 -0.0186 -0.0052 1072 VAL 1 C -0.0009 -0.0185 -0.0054 1073 VAL 1 O 0.0009 -0.0187 -0.0044 1074 VAL 1 CB -0.0023 -0.0181 -0.0065 1075 VAL 1 CG1 -0.0034 -0.0196 -0.0053 1076 VAL 1 CG2 -0.0020 -0.0170 -0.0076 1077 HIS 2 N -0.0018 -0.0190 -0.0052 1078 HIS 2 CA -0.0019 -0.0187 -0.0056 1079 HIS 2 C -0.0035 -0.0181 -0.0070 1080 HIS 2 O -0.0053 -0.0185 -0.0073 1081 HIS 2 CB -0.0038 -0.0201 -0.0047 1082 HIS 2 CG -0.0044 -0.0204 -0.0047 1083 HIS 2 ND1 -0.0066 -0.0205 -0.0055 1084 HIS 2 CD2 -0.0031 -0.0202 -0.0044 1085 HIS 2 CE1 -0.0063 -0.0204 -0.0056 1086 HIS 2 NE2 -0.0047 -0.0198 -0.0055 1087 LEU 3 N -0.0027 -0.0173 -0.0077 1088 LEU 3 CA -0.0038 -0.0166 -0.0089 1089 LEU 3 C -0.0033 -0.0162 -0.0091 1090 LEU 3 O -0.0020 -0.0164 -0.0084 1091 LEU 3 CB -0.0028 -0.0153 -0.0100 1092 LEU 3 CG -0.0032 -0.0152 -0.0102 1093 LEU 3 CD1 -0.0024 -0.0142 -0.0111 1094 LEU 3 CD2 -0.0048 -0.0151 -0.0111 1095 THR 4 N -0.0057 -0.0204 -0.0094 1096 THR 4 CA -0.0057 -0.0210 -0.0077 1097 THR 4 C -0.0054 -0.0198 -0.0074 1098 THR 4 O -0.0051 -0.0185 -0.0090 1099 THR 4 CB -0.0064 -0.0234 -0.0088 1100 THR 4 OG1 -0.0066 -0.0235 -0.0108 1101 THR 4 CG2 -0.0069 -0.0251 -0.0095 1102 PRO 5 N -0.0055 -0.0204 -0.0059 1103 PRO 5 CA -0.0052 -0.0195 -0.0050 1104 PRO 5 C -0.0052 -0.0192 -0.0075 1105 PRO 5 O -0.0048 -0.0176 -0.0079 1106 PRO 5 CB -0.0051 -0.0198 -0.0031 1107 PRO 5 CG -0.0054 -0.0212 -0.0020 1108 PRO 5 CD -0.0056 -0.0217 -0.0031 1109 GLU 6 N -0.0059 -0.0214 -0.0084 1110 GLU 6 CA -0.0061 -0.0219 -0.0099 1111 GLU 6 C -0.0058 -0.0203 -0.0124 1112 GLU 6 O -0.0057 -0.0195 -0.0139 1113 GLU 6 CB -0.0068 -0.0244 -0.0111 1114 GLU 6 CG -0.0072 -0.0257 -0.0112 1115 GLU 6 CD -0.0073 -0.0268 -0.0081 1116 GLU 6 OE1 -0.0069 -0.0259 -0.0062 1117 GLU 6 OE2 -0.0072 -0.0264 -0.0073 1118 GLU 7 N -0.0036 -0.0148 -0.0114 1119 GLU 7 CA -0.0042 -0.0148 -0.0118 1120 GLU 7 C -0.0042 -0.0141 -0.0116 1121 GLU 7 O -0.0046 -0.0138 -0.0118 1122 GLU 7 CB -0.0043 -0.0151 -0.0120 1123 GLU 7 CG -0.0044 -0.0157 -0.0123 1124 GLU 7 CD -0.0046 -0.0161 -0.0126 1125 GLU 7 OE1 -0.0049 -0.0163 -0.0129 1126 GLU 7 OE2 -0.0044 -0.0164 -0.0125 1127 LYS 8 N -0.0039 -0.0142 -0.0114 1128 LYS 8 CA -0.0039 -0.0137 -0.0113 1129 LYS 8 C -0.0039 -0.0132 -0.0111 1130 LYS 8 O -0.0042 -0.0126 -0.0111 1131 LYS 8 CB -0.0034 -0.0139 -0.0109 1132 LYS 8 CG -0.0034 -0.0136 -0.0108 1133 LYS 8 CD -0.0030 -0.0134 -0.0104 1134 LYS 8 CE -0.0030 -0.0128 -0.0102 1135 LYS 8 NZ -0.0023 -0.0127 -0.0096 1136 SER 9 N -0.0036 -0.0131 -0.0108 1137 SER 9 CA -0.0035 -0.0127 -0.0106 1138 SER 9 C -0.0040 -0.0123 -0.0109 1139 SER 9 O -0.0042 -0.0118 -0.0108 1140 SER 9 CB -0.0029 -0.0126 -0.0101 1141 SER 9 OG -0.0032 -0.0127 -0.0104 1142 ALA 10 N -0.0051 -0.0106 -0.0098 1143 ALA 10 CA -0.0057 -0.0102 -0.0101 1144 ALA 10 C -0.0065 -0.0099 -0.0105 1145 ALA 10 O -0.0070 -0.0091 -0.0106 1146 ALA 10 CB -0.0061 -0.0110 -0.0105 1147 VAL 11 N -0.0065 -0.0103 -0.0106 1148 VAL 11 CA -0.0071 -0.0100 -0.0109 1149 VAL 11 C -0.0070 -0.0090 -0.0105 1150 VAL 11 O -0.0076 -0.0084 -0.0107 1151 VAL 11 CB -0.0070 -0.0107 -0.0110 1152 VAL 11 CG1 -0.0074 -0.0104 -0.0112 1153 VAL 11 CG2 -0.0075 -0.0116 -0.0115 1154 THR 12 N -0.0062 -0.0091 -0.0101 1155 THR 12 CA -0.0059 -0.0083 -0.0097 1156 THR 12 C -0.0061 -0.0074 -0.0096 1157 THR 12 O -0.0064 -0.0067 -0.0096 1158 THR 12 CB -0.0049 -0.0084 -0.0091 1159 THR 12 OG1 -0.0050 -0.0090 -0.0093 1160 THR 12 CG2 -0.0048 -0.0082 -0.0090 1161 ALA 13 N -0.0090 -0.0026 -0.0072 1162 ALA 13 CA -0.0088 -0.0028 -0.0066 1163 ALA 13 C -0.0087 -0.0030 -0.0061 1164 ALA 13 O -0.0090 -0.0033 -0.0056 1165 ALA 13 CB -0.0082 -0.0024 -0.0065 1166 LEU 14 N -0.0084 -0.0027 -0.0060 1167 LEU 14 CA -0.0084 -0.0030 -0.0055 1168 LEU 14 C -0.0090 -0.0033 -0.0055 1169 LEU 14 O -0.0091 -0.0036 -0.0051 1170 LEU 14 CB -0.0079 -0.0026 -0.0057 1171 LEU 14 CG -0.0076 -0.0027 -0.0051 1172 LEU 14 CD1 -0.0074 -0.0028 -0.0046 1173 LEU 14 CD2 -0.0074 -0.0024 -0.0054 1174 TRP 15 N -0.0093 -0.0033 -0.0062 1175 TRP 15 CA -0.0098 -0.0036 -0.0062 1176 TRP 15 C -0.0103 -0.0040 -0.0059 1177 TRP 15 O -0.0106 -0.0043 -0.0056 1178 TRP 15 CB -0.0101 -0.0035 -0.0068 1179 TRP 15 CG -0.0106 -0.0038 -0.0069 1180 TRP 15 CD1 -0.0111 -0.0041 -0.0070 1181 TRP 15 CD2 -0.0104 -0.0037 -0.0068 1182 TRP 15 NE1 -0.0114 -0.0043 -0.0071 1183 TRP 15 CE2 -0.0110 -0.0041 -0.0068 1184 TRP 15 CE3 -0.0099 -0.0035 -0.0066 1185 TRP 15 CZ2 -0.0110 -0.0041 -0.0068 1186 TRP 15 CZ3 -0.0100 -0.0036 -0.0065 1187 TRP 15 CH2 -0.0105 -0.0038 -0.0067 1188 GLY 16 N -0.0125 -0.0010 -0.0048 1189 GLY 16 CA -0.0130 -0.0014 -0.0043 1190 GLY 16 C -0.0129 -0.0016 -0.0034 1191 GLY 16 O -0.0135 -0.0020 -0.0029 1192 LYS 17 N -0.0124 -0.0014 -0.0030 1193 LYS 17 CA -0.0123 -0.0015 -0.0021 1194 LYS 17 C -0.0126 -0.0017 -0.0020 1195 LYS 17 O -0.0126 -0.0019 -0.0012 1196 LYS 17 CB -0.0114 -0.0012 -0.0017 1197 LYS 17 CG -0.0110 -0.0009 -0.0019 1198 LYS 17 CD -0.0103 -0.0006 -0.0015 1199 LYS 17 CE -0.0097 -0.0002 -0.0017 1200 LYS 17 NZ -0.0091 -0.0001 -0.0010 1201 VAL 18 N -0.0130 -0.0018 -0.0026 1202 VAL 18 CA -0.0132 -0.0020 -0.0026 1203 VAL 18 C -0.0141 -0.0025 -0.0023 1204 VAL 18 O -0.0147 -0.0027 -0.0027 1205 VAL 18 CB -0.0133 -0.0018 -0.0035 1206 VAL 18 CG1 -0.0137 -0.0020 -0.0035 1207 VAL 18 CG2 -0.0123 -0.0013 -0.0034 1208 ASN 19 N -0.0147 -0.0037 0.0009 1209 ASN 19 CA -0.0159 -0.0052 0.0011 1210 ASN 19 C -0.0154 -0.0035 0.0005 1211 ASN 19 O -0.0133 -0.0029 0.0012 1212 ASN 19 CB -0.0144 -0.0071 0.0028 1213 ASN 19 CG -0.0150 -0.0081 0.0029 1214 ASN 19 OD1 -0.0161 -0.0077 0.0022 1215 ASN 19 ND2 -0.0147 -0.0104 0.0043 1216 VAL 20 N -0.0171 -0.0029 -0.0006 1217 VAL 20 CA -0.0170 -0.0009 -0.0016 1218 VAL 20 C -0.0162 -0.0014 -0.0009 1219 VAL 20 O -0.0144 -0.0002 -0.0007 1220 VAL 20 CB -0.0195 -0.0003 -0.0030 1221 VAL 20 CG1 -0.0191 0.0016 -0.0038 1222 VAL 20 CG2 -0.0200 0.0008 -0.0038 1223 ASP 21 N -0.0163 -0.0034 0.0000 1224 ASP 21 CA -0.0155 -0.0041 0.0007 1225 ASP 21 C -0.0132 -0.0043 0.0020 1226 ASP 21 O -0.0118 -0.0032 0.0021 1227 ASP 21 CB -0.0168 -0.0064 0.0012 1228 ASP 21 CG -0.0197 -0.0067 -0.0000 1229 ASP 21 OD1 -0.0198 -0.0047 -0.0010 1230 ASP 21 OD2 -0.0201 -0.0089 0.0009 1231 GLU 22 N -0.0102 -0.0052 0.0020 1232 GLU 22 CA -0.0076 -0.0058 0.0026 1233 GLU 22 C -0.0066 -0.0032 0.0028 1234 GLU 22 O -0.0046 -0.0026 0.0032 1235 GLU 22 CB -0.0082 -0.0076 0.0026 1236 GLU 22 CG -0.0063 -0.0078 0.0031 1237 GLU 22 CD -0.0051 -0.0089 0.0034 1238 GLU 22 OE1 -0.0080 -0.0088 0.0027 1239 GLU 22 OE2 -0.0071 -0.0121 0.0031 1240 VAL 23 N -0.0083 -0.0021 0.0023 1241 VAL 23 CA -0.0077 0.0002 0.0023 1242 VAL 23 C -0.0071 0.0022 0.0023 1243 VAL 23 O -0.0054 0.0039 0.0027 1244 VAL 23 CB -0.0096 0.0011 0.0018 1245 VAL 23 CG1 -0.0091 0.0036 0.0018 1246 VAL 23 CG2 -0.0093 -0.0011 0.0020 1247 GLY 24 N -0.0084 0.0022 0.0020 1248 GLY 24 CA -0.0079 0.0038 0.0021 1249 GLY 24 C -0.0055 0.0038 0.0027 1250 GLY 24 O -0.0040 0.0054 0.0030 1251 GLY 25 N 0.0006 0.0053 0.0049 1252 GLY 25 CA 0.0010 0.0052 0.0049 1253 GLY 25 C 0.0017 0.0052 0.0048 1254 GLY 25 O 0.0021 0.0054 0.0046 1255 GLU 26 N 0.0018 0.0049 0.0049 1256 GLU 26 CA 0.0024 0.0047 0.0048 1257 GLU 26 C 0.0026 0.0054 0.0045 1258 GLU 26 O 0.0031 0.0055 0.0044 1259 GLU 26 CB 0.0024 0.0043 0.0051 1260 GLU 26 CG 0.0031 0.0039 0.0051 1261 GLU 26 CD 0.0037 0.0036 0.0051 1262 GLU 26 OE1 0.0036 0.0035 0.0052 1263 GLU 26 OE2 0.0027 0.0033 0.0054 1264 ALA 27 N 0.0021 0.0056 0.0045 1265 ALA 27 CA 0.0023 0.0061 0.0043 1266 ALA 27 C 0.0025 0.0066 0.0040 1267 ALA 27 O 0.0029 0.0070 0.0038 1268 ALA 27 CB 0.0018 0.0063 0.0043 1269 LEU 28 N 0.0041 0.0076 0.0064 1270 LEU 28 CA 0.0046 0.0080 0.0065 1271 LEU 28 C 0.0054 0.0079 0.0065 1272 LEU 28 O 0.0059 0.0083 0.0066 1273 LEU 28 CB 0.0044 0.0081 0.0066 1274 LEU 28 CG 0.0050 0.0089 0.0068 1275 LEU 28 CD1 0.0046 0.0095 0.0070 1276 LEU 28 CD2 0.0048 0.0087 0.0068 1277 GLY 29 N 0.0056 0.0071 0.0063 1278 GLY 29 CA 0.0064 0.0070 0.0062 1279 GLY 29 C 0.0066 0.0071 0.0062 1280 GLY 29 O 0.0072 0.0075 0.0063 1281 ARG 30 N 0.0061 0.0070 0.0062 1282 ARG 30 CA 0.0063 0.0071 0.0062 1283 ARG 30 C 0.0063 0.0081 0.0065 1284 ARG 30 O 0.0068 0.0083 0.0066 1285 ARG 30 CB 0.0057 0.0068 0.0062 1286 ARG 30 CG 0.0059 0.0060 0.0059 1287 ARG 30 CD 0.0052 0.0058 0.0058 1288 ARG 30 NE 0.0052 0.0050 0.0056 1289 ARG 30 CZ 0.0055 0.0046 0.0055 1290 ARG 30 NH1 0.0058 0.0049 0.0056 1291 ARG 30 NH2 0.0055 0.0039 0.0052 1292 LEU 31 N 0.0086 0.0050 0.0080 1293 LEU 31 CA 0.0085 0.0046 0.0075 1294 LEU 31 C 0.0079 0.0046 0.0073 1295 LEU 31 O 0.0077 0.0043 0.0069 1296 LEU 31 CB 0.0087 0.0044 0.0074 1297 LEU 31 CG 0.0086 0.0040 0.0069 1298 LEU 31 CD1 0.0091 0.0037 0.0067 1299 LEU 31 CD2 0.0085 0.0039 0.0068 1300 LEU 32 N 0.0074 0.0049 0.0075 1301 LEU 32 CA 0.0068 0.0048 0.0072 1302 LEU 32 C 0.0066 0.0049 0.0073 1303 LEU 32 O 0.0061 0.0048 0.0070 1304 LEU 32 CB 0.0063 0.0052 0.0075 1305 LEU 32 CG 0.0063 0.0050 0.0073 1306 LEU 32 CD1 0.0067 0.0047 0.0071 1307 LEU 32 CD2 0.0060 0.0054 0.0076 1308 VAL 33 N 0.0068 0.0052 0.0076 1309 VAL 33 CA 0.0067 0.0053 0.0077 1310 VAL 33 C 0.0070 0.0049 0.0073 1311 VAL 33 O 0.0067 0.0048 0.0071 1312 VAL 33 CB 0.0069 0.0057 0.0082 1313 VAL 33 CG1 0.0068 0.0058 0.0083 1314 VAL 33 CG2 0.0065 0.0060 0.0085 1315 VAL 34 N 0.0085 0.0025 0.0053 1316 VAL 34 CA 0.0081 0.0016 0.0053 1317 VAL 34 C 0.0080 0.0009 0.0055 1318 VAL 34 O 0.0075 0.0004 0.0052 1319 VAL 34 CB 0.0085 0.0014 0.0057 1320 VAL 34 CG1 0.0081 0.0005 0.0057 1321 VAL 34 CG2 0.0086 0.0020 0.0055 1322 TYR 35 N 0.0086 0.0010 0.0058 1323 TYR 35 CA 0.0085 0.0004 0.0061 1324 TYR 35 C 0.0086 0.0009 0.0059 1325 TYR 35 O 0.0092 0.0010 0.0064 1326 TYR 35 CB 0.0091 -0.0001 0.0067 1327 TYR 35 CG 0.0091 -0.0005 0.0068 1328 TYR 35 CD1 0.0085 -0.0012 0.0066 1329 TYR 35 CD2 0.0096 -0.0003 0.0071 1330 TYR 35 CE1 0.0085 -0.0016 0.0067 1331 TYR 35 CE2 0.0094 -0.0006 0.0071 1332 TYR 35 CZ 0.0090 -0.0012 0.0070 1333 TYR 35 OH 0.0089 -0.0015 0.0070 1334 PRO 36 N 0.0081 0.0011 0.0054 1335 PRO 36 CA 0.0082 0.0017 0.0053 1336 PRO 36 C 0.0084 0.0013 0.0056 1337 PRO 36 O 0.0087 0.0019 0.0056 1338 PRO 36 CB 0.0075 0.0019 0.0046 1339 PRO 36 CG 0.0070 0.0015 0.0044 1340 PRO 36 CD 0.0074 0.0010 0.0049 1341 TRP 37 N 0.0086 0.0009 0.0048 1342 TRP 37 CA 0.0082 0.0012 0.0044 1343 TRP 37 C 0.0082 0.0015 0.0053 1344 TRP 37 O 0.0078 0.0020 0.0051 1345 TRP 37 CB 0.0087 0.0003 0.0037 1346 TRP 37 CG 0.0094 -0.0005 0.0042 1347 TRP 37 CD1 0.0098 -0.0008 0.0046 1348 TRP 37 CD2 0.0100 -0.0012 0.0041 1349 TRP 37 NE1 0.0105 -0.0015 0.0049 1350 TRP 37 CE2 0.0107 -0.0019 0.0047 1351 TRP 37 CE3 0.0100 -0.0013 0.0039 1352 TRP 37 CZ2 0.0113 -0.0026 0.0048 1353 TRP 37 CZ3 0.0106 -0.0021 0.0040 1354 TRP 37 CH2 0.0112 -0.0026 0.0044 1355 THR 38 N 0.0086 0.0015 0.0063 1356 THR 38 CA 0.0087 0.0018 0.0072 1357 THR 38 C 0.0079 0.0028 0.0074 1358 THR 38 O 0.0078 0.0033 0.0081 1359 THR 38 CB 0.0093 0.0015 0.0083 1360 THR 38 OG1 0.0092 0.0016 0.0084 1361 THR 38 CG2 0.0099 0.0005 0.0079 1362 GLN 39 N 0.0076 0.0031 0.0070 1363 GLN 39 CA 0.0068 0.0041 0.0070 1364 GLN 39 C 0.0063 0.0046 0.0066 1365 GLN 39 O 0.0058 0.0054 0.0069 1366 GLN 39 CB 0.0066 0.0043 0.0066 1367 GLN 39 CG 0.0070 0.0040 0.0072 1368 GLN 39 CD 0.0067 0.0041 0.0067 1369 GLN 39 OE1 0.0061 0.0047 0.0061 1370 GLN 39 NE2 0.0072 0.0037 0.0070 1371 ARG 40 N 0.0043 0.0061 0.0060 1372 ARG 40 CA 0.0033 0.0062 0.0049 1373 ARG 40 C 0.0033 0.0070 0.0061 1374 ARG 40 O 0.0020 0.0076 0.0054 1375 ARG 40 CB 0.0041 0.0048 0.0037 1376 ARG 40 CG 0.0052 0.0043 0.0043 1377 ARG 40 CD 0.0060 0.0027 0.0029 1378 ARG 40 NE 0.0052 0.0025 0.0016 1379 ARG 40 CZ 0.0047 0.0027 0.0011 1380 ARG 40 NH1 0.0054 0.0027 0.0021 1381 ARG 40 NH2 0.0038 0.0022 -0.0007 1382 PHE 41 N 0.0040 0.0072 0.0073 1383 PHE 41 CA 0.0040 0.0077 0.0081 1384 PHE 41 C 0.0029 0.0094 0.0094 1385 PHE 41 O 0.0029 0.0098 0.0099 1386 PHE 41 CB 0.0056 0.0071 0.0093 1387 PHE 41 CG 0.0064 0.0058 0.0083 1388 PHE 41 CD1 0.0075 0.0048 0.0082 1389 PHE 41 CD2 0.0062 0.0054 0.0073 1390 PHE 41 CE1 0.0083 0.0035 0.0072 1391 PHE 41 CE2 0.0071 0.0040 0.0063 1392 PHE 41 CZ 0.0081 0.0032 0.0063 1393 PHE 42 N 0.0027 0.0096 0.0094 1394 PHE 42 CA 0.0024 0.0107 0.0108 1395 PHE 42 C 0.0010 0.0117 0.0104 1396 PHE 42 O 0.0005 0.0126 0.0112 1397 PHE 42 CB 0.0035 0.0105 0.0119 1398 PHE 42 CG 0.0048 0.0099 0.0126 1399 PHE 42 CD1 0.0062 0.0084 0.0121 1400 PHE 42 CD2 0.0053 0.0102 0.0137 1401 PHE 42 CE1 0.0074 0.0079 0.0128 1402 PHE 42 CE2 0.0065 0.0094 0.0141 1403 PHE 42 CZ 0.0079 0.0081 0.0138 1404 GLU 43 N 0.0034 0.0144 0.0095 1405 GLU 43 CA 0.0034 0.0149 0.0087 1406 GLU 43 C 0.0029 0.0161 0.0090 1407 GLU 43 O 0.0028 0.0164 0.0090 1408 GLU 43 CB 0.0034 0.0151 0.0080 1409 GLU 43 CG 0.0032 0.0160 0.0076 1410 GLU 43 CD 0.0036 0.0159 0.0058 1411 GLU 43 OE1 0.0037 0.0156 0.0056 1412 GLU 43 OE2 0.0031 0.0168 0.0064 1413 SER 44 N 0.0026 0.0163 0.0100 1414 SER 44 CA 0.0022 0.0171 0.0107 1415 SER 44 C 0.0023 0.0167 0.0107 1416 SER 44 O 0.0020 0.0170 0.0117 1417 SER 44 CB 0.0019 0.0174 0.0115 1418 SER 44 OG 0.0018 0.0172 0.0124 1419 PHE 45 N 0.0026 0.0157 0.0113 1420 PHE 45 CA 0.0027 0.0151 0.0118 1421 PHE 45 C 0.0028 0.0151 0.0111 1422 PHE 45 O 0.0029 0.0146 0.0116 1423 PHE 45 CB 0.0031 0.0140 0.0121 1424 PHE 45 CG 0.0029 0.0138 0.0133 1425 PHE 45 CD1 0.0032 0.0128 0.0136 1426 PHE 45 CD2 0.0027 0.0143 0.0136 1427 PHE 45 CE1 0.0030 0.0128 0.0146 1428 PHE 45 CE2 0.0024 0.0145 0.0144 1429 PHE 45 CZ 0.0027 0.0134 0.0148 1430 GLY 46 N 0.0026 0.0149 0.0129 1431 GLY 46 CA 0.0016 0.0159 0.0129 1432 GLY 46 C 0.0008 0.0159 0.0127 1433 GLY 46 O 0.0007 0.0145 0.0123 1434 ASP 47 N 0.0006 0.0169 0.0129 1435 ASP 47 CA -0.0005 0.0169 0.0126 1436 ASP 47 C 0.0005 0.0166 0.0128 1437 ASP 47 O 0.0017 0.0172 0.0132 1438 ASP 47 CB -0.0007 0.0185 0.0129 1439 ASP 47 CG -0.0019 0.0187 0.0127 1440 ASP 47 OD1 -0.0021 0.0198 0.0129 1441 ASP 47 OD2 -0.0025 0.0173 0.0122 1442 LEU 48 N 0.0001 0.0152 0.0124 1443 LEU 48 CA 0.0008 0.0144 0.0123 1444 LEU 48 C -0.0004 0.0144 0.0120 1445 LEU 48 O -0.0002 0.0135 0.0119 1446 LEU 48 CB 0.0016 0.0132 0.0123 1447 LEU 48 CG 0.0029 0.0135 0.0126 1448 LEU 48 CD1 0.0036 0.0119 0.0124 1449 LEU 48 CD2 0.0039 0.0143 0.0131 1450 SER 49 N -0.0014 0.0155 0.0121 1451 SER 49 CA -0.0022 0.0149 0.0115 1452 SER 49 C -0.0022 0.0154 0.0115 1453 SER 49 O -0.0027 0.0144 0.0110 1454 SER 49 CB -0.0030 0.0157 0.0111 1455 SER 49 OG -0.0028 0.0168 0.0114 1456 THR 50 N -0.0018 0.0155 0.0118 1457 THR 50 CA -0.0016 0.0155 0.0119 1458 THR 50 C -0.0007 0.0154 0.0125 1459 THR 50 O -0.0002 0.0157 0.0129 1460 THR 50 CB -0.0021 0.0162 0.0118 1461 THR 50 OG1 -0.0018 0.0171 0.0121 1462 THR 50 CG2 -0.0031 0.0166 0.0112 1463 PRO 51 N -0.0006 0.0152 0.0125 1464 PRO 51 CA 0.0002 0.0151 0.0131 1465 PRO 51 C 0.0006 0.0160 0.0135 1466 PRO 51 O 0.0013 0.0162 0.0140 1467 PRO 51 CB 0.0002 0.0148 0.0130 1468 PRO 51 CG -0.0005 0.0141 0.0124 1469 PRO 51 CD -0.0011 0.0146 0.0121 1470 ASP 52 N 0.0001 0.0175 0.0150 1471 ASP 52 CA 0.0002 0.0184 0.0156 1472 ASP 52 C 0.0000 0.0177 0.0152 1473 ASP 52 O 0.0007 0.0179 0.0152 1474 ASP 52 CB -0.0010 0.0194 0.0166 1475 ASP 52 CG 0.0001 0.0210 0.0172 1476 ASP 52 OD1 0.0012 0.0209 0.0169 1477 ASP 52 OD2 -0.0009 0.0211 0.0176 1478 ALA 53 N -0.0012 0.0166 0.0148 1479 ALA 53 CA -0.0016 0.0157 0.0143 1480 ALA 53 C -0.0003 0.0151 0.0136 1481 ALA 53 O 0.0003 0.0148 0.0132 1482 ALA 53 CB -0.0029 0.0148 0.0141 1483 VAL 54 N 0.0006 0.0145 0.0130 1484 VAL 54 CA 0.0019 0.0138 0.0122 1485 VAL 54 C 0.0031 0.0147 0.0124 1486 VAL 54 O 0.0040 0.0144 0.0121 1487 VAL 54 CB 0.0024 0.0130 0.0116 1488 VAL 54 CG1 0.0040 0.0126 0.0109 1489 VAL 54 CG2 0.0011 0.0121 0.0113 1490 MET 55 N 0.0023 0.0126 0.0113 1491 MET 55 CA 0.0026 0.0127 0.0116 1492 MET 55 C 0.0024 0.0130 0.0120 1493 MET 55 O 0.0026 0.0130 0.0122 1494 MET 55 CB 0.0029 0.0127 0.0119 1495 MET 55 CG 0.0032 0.0124 0.0116 1496 MET 55 SD 0.0036 0.0121 0.0113 1497 MET 55 CE 0.0040 0.0122 0.0117 1498 GLY 56 N 0.0020 0.0131 0.0120 1499 GLY 56 CA 0.0017 0.0134 0.0123 1500 GLY 56 C 0.0013 0.0134 0.0121 1501 GLY 56 O 0.0012 0.0136 0.0123 1502 ASN 57 N 0.0014 0.0133 0.0118 1503 ASN 57 CA 0.0010 0.0133 0.0116 1504 ASN 57 C 0.0012 0.0133 0.0117 1505 ASN 57 O 0.0016 0.0131 0.0117 1506 ASN 57 CB 0.0010 0.0130 0.0111 1507 ASN 57 CG 0.0007 0.0130 0.0109 1508 ASN 57 OD1 0.0007 0.0131 0.0110 1509 ASN 57 ND2 0.0004 0.0130 0.0106 1510 PRO 58 N 0.0019 0.0097 0.0096 1511 PRO 58 CA 0.0013 0.0098 0.0098 1512 PRO 58 C 0.0009 0.0103 0.0098 1513 PRO 58 O 0.0003 0.0103 0.0100 1514 PRO 58 CB 0.0012 0.0096 0.0099 1515 PRO 58 CG 0.0017 0.0096 0.0097 1516 PRO 58 CD 0.0023 0.0096 0.0095 1517 LYS 59 N 0.0012 0.0109 0.0096 1518 LYS 59 CA 0.0009 0.0115 0.0095 1519 LYS 59 C 0.0009 0.0116 0.0095 1520 LYS 59 O 0.0004 0.0118 0.0096 1521 LYS 59 CB 0.0011 0.0120 0.0093 1522 LYS 59 CG 0.0008 0.0122 0.0094 1523 LYS 59 CD 0.0012 0.0121 0.0093 1524 LYS 59 CE 0.0005 0.0124 0.0094 1525 LYS 59 NZ 0.0013 0.0128 0.0091 1526 VAL 60 N 0.0014 0.0113 0.0094 1527 VAL 60 CA 0.0015 0.0112 0.0094 1528 VAL 60 C 0.0010 0.0109 0.0096 1529 VAL 60 O 0.0006 0.0110 0.0098 1530 VAL 60 CB 0.0021 0.0111 0.0092 1531 VAL 60 CG1 0.0021 0.0108 0.0093 1532 VAL 60 CG2 0.0026 0.0115 0.0090 1533 LYS 61 N -0.0017 0.0091 0.0075 1534 LYS 61 CA -0.0023 0.0090 0.0068 1535 LYS 61 C -0.0032 0.0087 0.0057 1536 LYS 61 O -0.0038 0.0094 0.0049 1537 LYS 61 CB -0.0023 0.0078 0.0071 1538 LYS 61 CG -0.0016 0.0079 0.0079 1539 LYS 61 CD -0.0015 0.0063 0.0085 1540 LYS 61 CE -0.0010 0.0070 0.0089 1541 LYS 61 NZ -0.0008 0.0055 0.0095 1542 ALA 62 N -0.0034 0.0080 0.0056 1543 ALA 62 CA -0.0043 0.0079 0.0046 1544 ALA 62 C -0.0044 0.0092 0.0041 1545 ALA 62 O -0.0051 0.0094 0.0033 1546 ALA 62 CB -0.0043 0.0069 0.0048 1547 HIS 63 N -0.0038 0.0097 0.0048 1548 HIS 63 CA -0.0039 0.0109 0.0043 1549 HIS 63 C -0.0040 0.0120 0.0039 1550 HIS 63 O -0.0046 0.0125 0.0030 1551 HIS 63 CB -0.0033 0.0115 0.0049 1552 HIS 63 CG -0.0034 0.0125 0.0046 1553 HIS 63 ND1 -0.0043 0.0123 0.0035 1554 HIS 63 CD2 -0.0031 0.0139 0.0045 1555 HIS 63 CE1 -0.0042 0.0137 0.0032 1556 HIS 63 NE2 -0.0036 0.0144 0.0038 1557 GLY 64 N -0.0066 0.0092 0.0017 1558 GLY 64 CA -0.0057 0.0096 0.0016 1559 GLY 64 C -0.0081 0.0090 0.0013 1560 GLY 64 O -0.0089 0.0099 0.0004 1561 LYS 65 N -0.0102 0.0067 0.0022 1562 LYS 65 CA -0.0130 0.0059 0.0018 1563 LYS 65 C -0.0155 0.0076 -0.0001 1564 LYS 65 O -0.0170 0.0078 -0.0007 1565 LYS 65 CB -0.0149 0.0024 0.0036 1566 LYS 65 CG -0.0157 0.0026 0.0032 1567 LYS 65 CD -0.0180 -0.0023 0.0058 1568 LYS 65 CE -0.0217 0.0006 0.0026 1569 LYS 65 NZ -0.0243 -0.0034 0.0045 1570 LYS 66 N -0.0157 0.0088 -0.0010 1571 LYS 66 CA -0.0178 0.0102 -0.0026 1572 LYS 66 C -0.0167 0.0134 -0.0045 1573 LYS 66 O -0.0187 0.0144 -0.0058 1574 LYS 66 CB -0.0184 0.0113 -0.0036 1575 LYS 66 CG -0.0203 0.0133 -0.0056 1576 LYS 66 CD -0.0209 0.0137 -0.0060 1577 LYS 66 CE -0.0264 0.0125 -0.0070 1578 LYS 66 NZ -0.0273 0.0142 -0.0084 1579 VAL 67 N -0.0097 0.0061 -0.0028 1580 VAL 67 CA -0.0100 0.0071 -0.0027 1581 VAL 67 C -0.0110 0.0062 -0.0027 1582 VAL 67 O -0.0125 0.0069 -0.0026 1583 VAL 67 CB -0.0081 0.0078 -0.0029 1584 VAL 67 CG1 -0.0079 0.0082 -0.0029 1585 VAL 67 CG2 -0.0071 0.0088 -0.0029 1586 LEU 68 N -0.0106 0.0045 -0.0027 1587 LEU 68 CA -0.0117 0.0036 -0.0027 1588 LEU 68 C -0.0138 0.0033 -0.0025 1589 LEU 68 O -0.0150 0.0030 -0.0025 1590 LEU 68 CB -0.0108 0.0020 -0.0027 1591 LEU 68 CG -0.0103 0.0017 -0.0028 1592 LEU 68 CD1 -0.0115 0.0002 -0.0027 1593 LEU 68 CD2 -0.0097 0.0030 -0.0028 1594 GLY 69 N -0.0143 0.0030 -0.0025 1595 GLY 69 CA -0.0159 0.0028 -0.0024 1596 GLY 69 C -0.0174 0.0044 -0.0023 1597 GLY 69 O -0.0187 0.0044 -0.0023 1598 ALA 70 N -0.0083 -0.0005 -0.0054 1599 ALA 70 CA -0.0082 -0.0009 -0.0052 1600 ALA 70 C -0.0079 -0.0020 -0.0051 1601 ALA 70 O -0.0076 -0.0025 -0.0045 1602 ALA 70 CB -0.0084 -0.0008 -0.0058 1603 PHE 71 N -0.0080 -0.0025 -0.0057 1604 PHE 71 CA -0.0077 -0.0035 -0.0057 1605 PHE 71 C -0.0074 -0.0036 -0.0047 1606 PHE 71 O -0.0072 -0.0042 -0.0043 1607 PHE 71 CB -0.0079 -0.0037 -0.0065 1608 PHE 71 CG -0.0077 -0.0047 -0.0065 1609 PHE 71 CD1 -0.0077 -0.0053 -0.0070 1610 PHE 71 CD2 -0.0075 -0.0050 -0.0061 1611 PHE 71 CE1 -0.0074 -0.0063 -0.0071 1612 PHE 71 CE2 -0.0073 -0.0059 -0.0063 1613 PHE 71 CZ -0.0073 -0.0066 -0.0068 1614 SER 72 N -0.0075 -0.0031 -0.0045 1615 SER 72 CA -0.0073 -0.0031 -0.0036 1616 SER 72 C -0.0070 -0.0032 -0.0028 1617 SER 72 O -0.0067 -0.0038 -0.0022 1618 SER 72 CB -0.0074 -0.0025 -0.0037 1619 SER 72 OG -0.0073 -0.0025 -0.0030 1620 ASP 73 N -0.0054 -0.0041 -0.0072 1621 ASP 73 CA -0.0032 -0.0050 -0.0064 1622 ASP 73 C -0.0028 -0.0069 -0.0063 1623 ASP 73 O -0.0008 -0.0081 -0.0056 1624 ASP 73 CB -0.0035 -0.0044 -0.0065 1625 ASP 73 CG -0.0034 -0.0015 -0.0062 1626 ASP 73 OD1 -0.0032 0.0004 -0.0060 1627 ASP 73 OD2 -0.0039 -0.0012 -0.0064 1628 GLY 74 N -0.0041 -0.0089 -0.0070 1629 GLY 74 CA -0.0039 -0.0109 -0.0071 1630 GLY 74 C -0.0030 -0.0115 -0.0067 1631 GLY 74 O -0.0019 -0.0130 -0.0064 1632 LEU 75 N -0.0034 -0.0094 -0.0067 1633 LEU 75 CA -0.0027 -0.0096 -0.0065 1634 LEU 75 C -0.0001 -0.0093 -0.0055 1635 LEU 75 O 0.0008 -0.0099 -0.0051 1636 LEU 75 CB -0.0034 -0.0075 -0.0066 1637 LEU 75 CG -0.0054 -0.0075 -0.0074 1638 LEU 75 CD1 -0.0068 -0.0055 -0.0078 1639 LEU 75 CD2 -0.0066 -0.0096 -0.0081 1640 ALA 76 N 0.0007 -0.0099 -0.0084 1641 ALA 76 CA 0.0028 -0.0099 -0.0081 1642 ALA 76 C 0.0042 -0.0120 -0.0073 1643 ALA 76 O 0.0055 -0.0122 -0.0071 1644 ALA 76 CB 0.0046 -0.0090 -0.0082 1645 HIS 77 N 0.0026 -0.0140 -0.0069 1646 HIS 77 CA 0.0036 -0.0163 -0.0061 1647 HIS 77 C 0.0016 -0.0175 -0.0059 1648 HIS 77 O 0.0013 -0.0193 -0.0054 1649 HIS 77 CB 0.0034 -0.0169 -0.0059 1650 HIS 77 CG 0.0052 -0.0154 -0.0061 1651 HIS 77 ND1 0.0053 -0.0137 -0.0067 1652 HIS 77 CD2 0.0080 -0.0159 -0.0056 1653 HIS 77 CE1 0.0072 -0.0134 -0.0065 1654 HIS 77 NE2 0.0087 -0.0144 -0.0060 1655 LEU 78 N 0.0009 -0.0168 -0.0062 1656 LEU 78 CA -0.0011 -0.0177 -0.0061 1657 LEU 78 C -0.0002 -0.0198 -0.0054 1658 LEU 78 O -0.0015 -0.0213 -0.0051 1659 LEU 78 CB -0.0018 -0.0166 -0.0066 1660 LEU 78 CG -0.0037 -0.0149 -0.0073 1661 LEU 78 CD1 -0.0037 -0.0129 -0.0080 1662 LEU 78 CD2 -0.0057 -0.0154 -0.0074 1663 ASP 79 N -0.0015 -0.0187 -0.0037 1664 ASP 79 CA -0.0014 -0.0202 -0.0020 1665 ASP 79 C -0.0007 -0.0208 -0.0009 1666 ASP 79 O 0.0000 -0.0216 0.0003 1667 ASP 79 CB 0.0007 -0.0195 -0.0019 1668 ASP 79 CG 0.0001 -0.0190 -0.0027 1669 ASP 79 OD1 0.0013 -0.0185 -0.0027 1670 ASP 79 OD2 -0.0021 -0.0198 -0.0028 1671 ASN 80 N 0.0003 -0.0199 -0.0016 1672 ASN 80 CA 0.0018 -0.0204 -0.0002 1673 ASN 80 C 0.0009 -0.0196 -0.0016 1674 ASN 80 O 0.0023 -0.0191 -0.0015 1675 ASN 80 CB 0.0038 -0.0199 0.0001 1676 ASN 80 CG 0.0053 -0.0206 0.0017 1677 ASN 80 OD1 0.0037 -0.0217 0.0022 1678 ASN 80 ND2 0.0068 -0.0193 0.0009 1679 LEU 81 N -0.0010 -0.0200 -0.0020 1680 LEU 81 CA -0.0011 -0.0194 -0.0027 1681 LEU 81 C -0.0002 -0.0199 -0.0017 1682 LEU 81 O 0.0003 -0.0195 -0.0020 1683 LEU 81 CB -0.0032 -0.0195 -0.0036 1684 LEU 81 CG -0.0043 -0.0188 -0.0050 1685 LEU 81 CD1 -0.0065 -0.0193 -0.0054 1686 LEU 81 CD2 -0.0036 -0.0172 -0.0065 1687 LYS 82 N -0.0010 -0.0187 0.0027 1688 LYS 82 CA 0.0001 -0.0185 0.0037 1689 LYS 82 C 0.0014 -0.0183 0.0039 1690 LYS 82 O 0.0026 -0.0180 0.0041 1691 LYS 82 CB -0.0009 -0.0188 0.0052 1692 LYS 82 CG -0.0018 -0.0190 0.0055 1693 LYS 82 CD -0.0028 -0.0193 0.0072 1694 LYS 82 CE -0.0022 -0.0192 0.0077 1695 LYS 82 NZ -0.0029 -0.0194 0.0101 1696 GLY 83 N 0.0014 -0.0182 0.0039 1697 GLY 83 CA 0.0031 -0.0179 0.0040 1698 GLY 83 C 0.0039 -0.0177 0.0026 1699 GLY 83 O 0.0054 -0.0173 0.0028 1700 THR 84 N 0.0031 -0.0178 0.0013 1701 THR 84 CA 0.0038 -0.0176 -0.0003 1702 THR 84 C 0.0049 -0.0173 -0.0002 1703 THR 84 O 0.0059 -0.0171 -0.0009 1704 THR 84 CB 0.0029 -0.0177 -0.0018 1705 THR 84 OG1 0.0022 -0.0178 -0.0016 1706 THR 84 CG2 0.0036 -0.0175 -0.0030 1707 PHE 85 N 0.0008 -0.0155 0.0016 1708 PHE 85 CA 0.0012 -0.0148 -0.0001 1709 PHE 85 C 0.0021 -0.0141 0.0012 1710 PHE 85 O 0.0022 -0.0137 0.0001 1711 PHE 85 CB -0.0004 -0.0161 -0.0021 1712 PHE 85 CG -0.0008 -0.0163 -0.0038 1713 PHE 85 CD1 -0.0023 -0.0178 -0.0040 1714 PHE 85 CD2 0.0004 -0.0147 -0.0055 1715 PHE 85 CE1 -0.0025 -0.0177 -0.0058 1716 PHE 85 CE2 -0.0003 -0.0151 -0.0073 1717 PHE 85 CZ -0.0016 -0.0164 -0.0076 1718 ALA 86 N 0.0024 -0.0141 0.0036 1719 ALA 86 CA 0.0032 -0.0136 0.0051 1720 ALA 86 C 0.0047 -0.0119 0.0044 1721 ALA 86 O 0.0049 -0.0116 0.0039 1722 ALA 86 CB 0.0035 -0.0138 0.0080 1723 THR 87 N 0.0060 -0.0105 0.0041 1724 THR 87 CA 0.0074 -0.0088 0.0033 1725 THR 87 C 0.0072 -0.0085 0.0005 1726 THR 87 O 0.0078 -0.0078 0.0000 1727 THR 87 CB 0.0091 -0.0069 0.0027 1728 THR 87 OG1 0.0095 -0.0069 0.0051 1729 THR 87 CG2 0.0111 -0.0048 0.0034 1730 LEU 88 N 0.0050 -0.0085 0.0015 1731 LEU 88 CA 0.0058 -0.0088 -0.0001 1732 LEU 88 C 0.0059 -0.0088 -0.0004 1733 LEU 88 O 0.0068 -0.0084 -0.0015 1734 LEU 88 CB 0.0053 -0.0102 -0.0011 1735 LEU 88 CG 0.0054 -0.0102 -0.0013 1736 LEU 88 CD1 0.0050 -0.0116 -0.0023 1737 LEU 88 CD2 0.0068 -0.0094 -0.0026 1738 SER 89 N 0.0049 -0.0093 0.0007 1739 SER 89 CA 0.0051 -0.0092 0.0006 1740 SER 89 C 0.0061 -0.0077 0.0007 1741 SER 89 O 0.0069 -0.0073 -0.0003 1742 SER 89 CB 0.0038 -0.0100 0.0019 1743 SER 89 OG 0.0039 -0.0099 0.0017 1744 GLU 90 N 0.0060 -0.0067 0.0021 1745 GLU 90 CA 0.0069 -0.0053 0.0021 1746 GLU 90 C 0.0083 -0.0043 0.0010 1747 GLU 90 O 0.0090 -0.0037 0.0004 1748 GLU 90 CB 0.0067 -0.0041 0.0041 1749 GLU 90 CG 0.0056 -0.0048 0.0050 1750 GLU 90 CD 0.0052 -0.0035 0.0072 1751 GLU 90 OE1 0.0060 -0.0026 0.0071 1752 GLU 90 OE2 0.0046 -0.0041 0.0077 1753 LEU 91 N 0.0051 -0.0034 -0.0004 1754 LEU 91 CA 0.0056 -0.0033 -0.0008 1755 LEU 91 C 0.0062 -0.0035 -0.0014 1756 LEU 91 O 0.0067 -0.0032 -0.0018 1757 LEU 91 CB 0.0052 -0.0038 -0.0005 1758 LEU 91 CG 0.0057 -0.0038 -0.0010 1759 LEU 91 CD1 0.0057 -0.0030 -0.0009 1760 LEU 91 CD2 0.0057 -0.0044 -0.0010 1761 HIS 92 N 0.0061 -0.0043 -0.0014 1762 HIS 92 CA 0.0067 -0.0045 -0.0020 1763 HIS 92 C 0.0071 -0.0040 -0.0022 1764 HIS 92 O 0.0076 -0.0039 -0.0027 1765 HIS 92 CB 0.0066 -0.0054 -0.0020 1766 HIS 92 CG 0.0066 -0.0061 -0.0020 1767 HIS 92 ND1 0.0060 -0.0063 -0.0015 1768 HIS 92 CD2 0.0070 -0.0067 -0.0024 1769 HIS 92 CE1 0.0062 -0.0069 -0.0017 1770 HIS 92 NE2 0.0067 -0.0071 -0.0022 1771 CYS 93 N 0.0067 -0.0036 -0.0019 1772 CYS 93 CA 0.0070 -0.0030 -0.0021 1773 CYS 93 C 0.0072 -0.0022 -0.0022 1774 CYS 93 O 0.0077 -0.0020 -0.0026 1775 CYS 93 CB 0.0065 -0.0030 -0.0016 1776 CYS 93 SG 0.0068 -0.0021 -0.0018 1777 ASP 94 N 0.0059 -0.0015 -0.0024 1778 ASP 94 CA 0.0058 -0.0011 -0.0026 1779 ASP 94 C 0.0057 -0.0008 -0.0027 1780 ASP 94 O 0.0056 -0.0006 -0.0029 1781 ASP 94 CB 0.0057 -0.0010 -0.0022 1782 ASP 94 CG 0.0058 -0.0012 -0.0020 1783 ASP 94 OD1 0.0059 -0.0014 -0.0023 1784 ASP 94 OD2 0.0058 -0.0012 -0.0017 1785 LYS 95 N 0.0057 -0.0007 -0.0025 1786 LYS 95 CA 0.0056 -0.0005 -0.0027 1787 LYS 95 C 0.0056 -0.0005 -0.0029 1788 LYS 95 O 0.0055 -0.0004 -0.0032 1789 LYS 95 CB 0.0055 -0.0002 -0.0023 1790 LYS 95 CG 0.0055 -0.0001 -0.0020 1791 LYS 95 CD 0.0054 0.0002 -0.0023 1792 LYS 95 CE 0.0054 0.0004 -0.0021 1793 LYS 95 NZ 0.0053 0.0007 -0.0023 1794 LEU 96 N 0.0057 -0.0008 -0.0028 1795 LEU 96 CA 0.0057 -0.0010 -0.0031 1796 LEU 96 C 0.0057 -0.0012 -0.0035 1797 LEU 96 O 0.0057 -0.0012 -0.0037 1798 LEU 96 CB 0.0057 -0.0011 -0.0028 1799 LEU 96 CG 0.0057 -0.0009 -0.0024 1800 LEU 96 CD1 0.0058 -0.0011 -0.0022 1801 LEU 96 CD2 0.0056 -0.0005 -0.0026 1802 HIS 97 N 0.0023 0.0005 -0.0002 1803 HIS 97 CA 0.0029 0.0001 -0.0013 1804 HIS 97 C 0.0038 -0.0004 -0.0008 1805 HIS 97 O 0.0041 -0.0005 -0.0014 1806 HIS 97 CB 0.0022 0.0004 -0.0023 1807 HIS 97 CG 0.0010 0.0010 -0.0026 1808 HIS 97 ND1 0.0011 0.0010 -0.0031 1809 HIS 97 CD2 0.0000 0.0016 -0.0022 1810 HIS 97 CE1 0.0001 0.0015 -0.0031 1811 HIS 97 NE2 -0.0006 0.0019 -0.0027 1812 VAL 98 N 0.0045 -0.0007 0.0001 1813 VAL 98 CA 0.0054 -0.0012 0.0007 1814 VAL 98 C 0.0066 -0.0018 -0.0001 1815 VAL 98 O 0.0069 -0.0020 0.0003 1816 VAL 98 CB 0.0056 -0.0012 0.0021 1817 VAL 98 CG1 0.0065 -0.0017 0.0026 1818 VAL 98 CG2 0.0044 -0.0006 0.0028 1819 ASP 99 N 0.0071 -0.0021 -0.0007 1820 ASP 99 CA 0.0081 -0.0027 -0.0014 1821 ASP 99 C 0.0089 -0.0030 -0.0002 1822 ASP 99 O 0.0091 -0.0031 0.0008 1823 ASP 99 CB 0.0085 -0.0029 -0.0019 1824 ASP 99 CG 0.0097 -0.0035 -0.0025 1825 ASP 99 OD1 0.0099 -0.0036 -0.0032 1826 ASP 99 OD2 0.0102 -0.0038 -0.0023 1827 PRO 100 N 0.0085 -0.0058 0.0015 1828 PRO 100 CA 0.0090 -0.0056 0.0017 1829 PRO 100 C 0.0096 -0.0054 0.0021 1830 PRO 100 O 0.0099 -0.0053 0.0025 1831 PRO 100 CB 0.0092 -0.0056 0.0010 1832 PRO 100 CG 0.0088 -0.0057 0.0004 1833 PRO 100 CD 0.0084 -0.0058 0.0007 1834 GLU 101 N 0.0097 -0.0054 0.0022 1835 GLU 101 CA 0.0103 -0.0052 0.0027 1836 GLU 101 C 0.0102 -0.0052 0.0035 1837 GLU 101 O 0.0105 -0.0051 0.0039 1838 GLU 101 CB 0.0105 -0.0051 0.0026 1839 GLU 101 CG 0.0110 -0.0049 0.0031 1840 GLU 101 CD 0.0119 -0.0046 0.0027 1841 GLU 101 OE1 0.0118 -0.0047 0.0021 1842 GLU 101 OE2 0.0120 -0.0046 0.0033 1843 ASN 102 N 0.0094 -0.0055 0.0036 1844 ASN 102 CA 0.0092 -0.0056 0.0044 1845 ASN 102 C 0.0094 -0.0055 0.0045 1846 ASN 102 O 0.0096 -0.0055 0.0052 1847 ASN 102 CB 0.0084 -0.0058 0.0044 1848 ASN 102 CG 0.0082 -0.0059 0.0045 1849 ASN 102 OD1 0.0083 -0.0059 0.0049 1850 ASN 102 ND2 0.0078 -0.0061 0.0038 1851 PHE 103 N 0.0070 -0.0089 0.0024 1852 PHE 103 CA 0.0073 -0.0085 0.0017 1853 PHE 103 C 0.0077 -0.0074 0.0021 1854 PHE 103 O 0.0079 -0.0070 0.0020 1855 PHE 103 CB 0.0074 -0.0087 0.0007 1856 PHE 103 CG 0.0070 -0.0098 0.0003 1857 PHE 103 CD1 0.0066 -0.0103 0.0008 1858 PHE 103 CD2 0.0070 -0.0100 -0.0003 1859 PHE 103 CE1 0.0063 -0.0113 0.0006 1860 PHE 103 CE2 0.0066 -0.0110 -0.0006 1861 PHE 103 CZ 0.0063 -0.0116 -0.0001 1862 ARG 104 N 0.0079 -0.0070 0.0022 1863 ARG 104 CA 0.0083 -0.0060 0.0024 1864 ARG 104 C 0.0082 -0.0057 0.0034 1865 ARG 104 O 0.0085 -0.0050 0.0036 1866 ARG 104 CB 0.0085 -0.0057 0.0024 1867 ARG 104 CG 0.0086 -0.0058 0.0014 1868 ARG 104 CD 0.0087 -0.0057 0.0012 1869 ARG 104 NE 0.0086 -0.0064 0.0001 1870 ARG 104 CZ 0.0090 -0.0054 0.0002 1871 ARG 104 NH1 0.0088 -0.0054 0.0012 1872 ARG 104 NH2 0.0095 -0.0051 -0.0012 1873 LEU 105 N 0.0078 -0.0063 0.0041 1874 LEU 105 CA 0.0077 -0.0061 0.0051 1875 LEU 105 C 0.0076 -0.0063 0.0051 1876 LEU 105 O 0.0078 -0.0057 0.0056 1877 LEU 105 CB 0.0073 -0.0068 0.0057 1878 LEU 105 CG 0.0073 -0.0067 0.0061 1879 LEU 105 CD1 0.0068 -0.0075 0.0066 1880 LEU 105 CD2 0.0076 -0.0058 0.0067 1881 LEU 106 N 0.0048 -0.0018 0.0011 1882 LEU 106 CA 0.0052 -0.0012 0.0007 1883 LEU 106 C 0.0045 -0.0021 0.0011 1884 LEU 106 O 0.0043 -0.0022 0.0003 1885 LEU 106 CB 0.0063 -0.0001 0.0014 1886 LEU 106 CG 0.0068 0.0007 0.0011 1887 LEU 106 CD1 0.0068 0.0010 -0.0005 1888 LEU 106 CD2 0.0076 0.0015 0.0021 1889 GLY 107 N 0.0041 -0.0029 0.0024 1890 GLY 107 CA 0.0036 -0.0037 0.0029 1891 GLY 107 C 0.0026 -0.0046 0.0017 1892 GLY 107 O 0.0023 -0.0049 0.0014 1893 ASN 108 N 0.0021 -0.0050 0.0009 1894 ASN 108 CA 0.0012 -0.0059 -0.0000 1895 ASN 108 C 0.0015 -0.0052 -0.0017 1896 ASN 108 O 0.0009 -0.0058 -0.0023 1897 ASN 108 CB 0.0007 -0.0064 -0.0004 1898 ASN 108 CG 0.0000 -0.0076 0.0011 1899 ASN 108 OD1 -0.0001 -0.0079 0.0019 1900 ASN 108 ND2 -0.0001 -0.0076 0.0005 1901 VAL 109 N 0.0021 0.0002 0.0017 1902 VAL 109 CA 0.0026 -0.0009 0.0010 1903 VAL 109 C 0.0018 -0.0016 0.0004 1904 VAL 109 O 0.0018 -0.0027 -0.0003 1905 VAL 109 CB 0.0039 -0.0009 0.0011 1906 VAL 109 CG1 0.0044 -0.0020 0.0005 1907 VAL 109 CG2 0.0051 -0.0002 0.0017 1908 LEU 110 N 0.0010 -0.0013 0.0005 1909 LEU 110 CA -0.0000 -0.0020 -0.0001 1910 LEU 110 C -0.0009 -0.0024 -0.0004 1911 LEU 110 O -0.0013 -0.0033 -0.0011 1912 LEU 110 CB -0.0006 -0.0014 0.0002 1913 LEU 110 CG -0.0017 -0.0022 -0.0004 1914 LEU 110 CD1 -0.0011 -0.0033 -0.0010 1915 LEU 110 CD2 -0.0024 -0.0017 -0.0001 1916 VAL 111 N -0.0015 -0.0016 0.0000 1917 VAL 111 CA -0.0024 -0.0018 -0.0002 1918 VAL 111 C -0.0017 -0.0027 -0.0007 1919 VAL 111 O -0.0023 -0.0035 -0.0013 1920 VAL 111 CB -0.0029 -0.0007 0.0005 1921 VAL 111 CG1 -0.0036 -0.0010 0.0002 1922 VAL 111 CG2 -0.0038 -0.0002 0.0007 1923 CYS 112 N -0.0023 0.0034 0.0015 1924 CYS 112 CA -0.0019 0.0032 0.0020 1925 CYS 112 C -0.0020 0.0023 0.0018 1926 CYS 112 O -0.0019 0.0023 0.0018 1927 CYS 112 CB -0.0014 0.0031 0.0026 1928 CYS 112 SG -0.0012 0.0041 0.0030 1929 VAL 113 N -0.0021 0.0018 0.0016 1930 VAL 113 CA -0.0022 0.0011 0.0013 1931 VAL 113 C -0.0027 0.0011 0.0007 1932 VAL 113 O -0.0026 0.0006 0.0008 1933 VAL 113 CB -0.0022 0.0004 0.0012 1934 VAL 113 CG1 -0.0024 -0.0003 0.0009 1935 VAL 113 CG2 -0.0018 0.0002 0.0018 1936 LEU 114 N -0.0031 0.0015 0.0002 1937 LEU 114 CA -0.0035 0.0016 -0.0003 1938 LEU 114 C -0.0033 0.0019 -0.0000 1939 LEU 114 O -0.0035 0.0016 -0.0004 1940 LEU 114 CB -0.0038 0.0020 -0.0007 1941 LEU 114 CG -0.0041 0.0016 -0.0011 1942 LEU 114 CD1 -0.0044 0.0022 -0.0015 1943 LEU 114 CD2 -0.0043 0.0009 -0.0015 1944 ALA 115 N -0.0038 0.0047 0.0002 1945 ALA 115 CA -0.0035 0.0046 0.0004 1946 ALA 115 C -0.0033 0.0042 0.0007 1947 ALA 115 O -0.0032 0.0040 0.0008 1948 ALA 115 CB -0.0031 0.0050 0.0003 1949 HIS 116 N -0.0032 0.0042 0.0007 1950 HIS 116 CA -0.0030 0.0038 0.0010 1951 HIS 116 C -0.0034 0.0034 0.0011 1952 HIS 116 O -0.0033 0.0031 0.0013 1953 HIS 116 CB -0.0029 0.0038 0.0010 1954 HIS 116 CG -0.0027 0.0035 0.0012 1955 HIS 116 ND1 -0.0029 0.0032 0.0013 1956 HIS 116 CD2 -0.0024 0.0033 0.0014 1957 HIS 116 CE1 -0.0025 0.0030 0.0015 1958 HIS 116 NE2 -0.0023 0.0030 0.0016 1959 HIS 117 N -0.0038 0.0034 0.0009 1960 HIS 117 CA -0.0042 0.0031 0.0010 1961 HIS 117 C -0.0043 0.0030 0.0010 1962 HIS 117 O -0.0044 0.0026 0.0012 1963 HIS 117 CB -0.0047 0.0032 0.0008 1964 HIS 117 CG -0.0049 0.0029 0.0009 1965 HIS 117 ND1 -0.0044 0.0031 0.0009 1966 HIS 117 CD2 -0.0053 0.0025 0.0010 1967 HIS 117 CE1 -0.0046 0.0029 0.0010 1968 HIS 117 NE2 -0.0051 0.0027 0.0009 1969 PHE 118 N -0.0075 0.0022 0.0014 1970 PHE 118 CA -0.0068 0.0029 0.0009 1971 PHE 118 C -0.0063 0.0039 0.0016 1972 PHE 118 O -0.0057 0.0046 0.0014 1973 PHE 118 CB -0.0064 0.0026 -0.0003 1974 PHE 118 CG -0.0068 0.0019 -0.0007 1975 PHE 118 CD1 -0.0073 0.0009 -0.0012 1976 PHE 118 CD2 -0.0068 0.0018 -0.0007 1977 PHE 118 CE1 -0.0076 0.0001 -0.0019 1978 PHE 118 CE2 -0.0070 0.0012 -0.0014 1979 PHE 118 CZ -0.0076 0.0002 -0.0016 1980 GLY 119 N -0.0065 0.0040 0.0022 1981 GLY 119 CA -0.0061 0.0050 0.0029 1982 GLY 119 C -0.0053 0.0056 0.0021 1983 GLY 119 O -0.0050 0.0053 0.0010 1984 LYS 120 N -0.0048 0.0064 0.0023 1985 LYS 120 CA -0.0039 0.0071 0.0017 1986 LYS 120 C -0.0035 0.0070 0.0005 1987 LYS 120 O -0.0029 0.0074 -0.0002 1988 LYS 120 CB -0.0033 0.0083 0.0023 1989 LYS 120 CG -0.0032 0.0084 0.0022 1990 LYS 120 CD -0.0026 0.0095 0.0029 1991 LYS 120 CE -0.0026 0.0093 0.0025 1992 LYS 120 NZ -0.0021 0.0100 0.0026 1993 GLU 121 N -0.0031 0.0044 0.0012 1994 GLU 121 CA -0.0024 0.0041 0.0010 1995 GLU 121 C -0.0025 0.0028 0.0002 1996 GLU 121 O -0.0015 0.0024 -0.0000 1997 GLU 121 CB -0.0024 0.0047 0.0013 1998 GLU 121 CG -0.0015 0.0048 0.0014 1999 GLU 121 CD -0.0020 0.0053 0.0018 2000 GLU 121 OE1 -0.0006 0.0048 0.0014 2001 GLU 121 OE2 -0.0020 0.0061 0.0022 2002 PHE 122 N -0.0035 0.0024 -0.0000 2003 PHE 122 CA -0.0036 0.0013 -0.0007 2004 PHE 122 C -0.0032 0.0008 -0.0009 2005 PHE 122 O -0.0039 0.0005 -0.0011 2006 PHE 122 CB -0.0050 0.0012 -0.0008 2007 PHE 122 CG -0.0051 0.0001 -0.0014 2008 PHE 122 CD1 -0.0046 -0.0001 -0.0015 2009 PHE 122 CD2 -0.0057 -0.0005 -0.0018 2010 PHE 122 CE1 -0.0048 -0.0011 -0.0021 2011 PHE 122 CE2 -0.0059 -0.0015 -0.0024 2012 PHE 122 CZ -0.0053 -0.0017 -0.0025 2013 THR 123 N -0.0021 0.0008 -0.0009 2014 THR 123 CA -0.0016 0.0005 -0.0011 2015 THR 123 C -0.0018 -0.0008 -0.0019 2016 THR 123 O -0.0019 -0.0011 -0.0021 2017 THR 123 CB -0.0003 0.0007 -0.0010 2018 THR 123 OG1 0.0003 0.0003 -0.0012 2019 THR 123 CG2 -0.0000 0.0019 -0.0003 2020 PRO 124 N -0.0006 -0.0040 -0.0033 2021 PRO 124 CA -0.0006 -0.0050 -0.0045 2022 PRO 124 C 0.0002 -0.0055 -0.0053 2023 PRO 124 O -0.0006 -0.0064 -0.0061 2024 PRO 124 CB 0.0002 -0.0049 -0.0046 2025 PRO 124 CG -0.0001 -0.0039 -0.0034 2026 PRO 124 CD 0.0000 -0.0031 -0.0025 2027 PRO 125 N 0.0012 -0.0053 -0.0052 2028 PRO 125 CA 0.0019 -0.0057 -0.0060 2029 PRO 125 C 0.0009 -0.0060 -0.0060 2030 PRO 125 O 0.0008 -0.0069 -0.0070 2031 PRO 125 CB 0.0033 -0.0052 -0.0058 2032 PRO 125 CG 0.0037 -0.0046 -0.0052 2033 PRO 125 CD 0.0025 -0.0042 -0.0044 2034 VAL 126 N 0.0003 -0.0054 -0.0051 2035 VAL 126 CA -0.0008 -0.0056 -0.0051 2036 VAL 126 C -0.0022 -0.0062 -0.0054 2037 VAL 126 O -0.0027 -0.0070 -0.0062 2038 VAL 126 CB -0.0013 -0.0045 -0.0037 2039 VAL 126 CG1 -0.0023 -0.0048 -0.0038 2040 VAL 126 CG2 -0.0001 -0.0039 -0.0034 2041 GLN 127 N -0.0022 -0.0070 -0.0039 2042 GLN 127 CA -0.0028 -0.0076 -0.0039 2043 GLN 127 C -0.0027 -0.0081 -0.0052 2044 GLN 127 O -0.0033 -0.0089 -0.0058 2045 GLN 127 CB -0.0029 -0.0071 -0.0028 2046 GLN 127 CG -0.0035 -0.0079 -0.0030 2047 GLN 127 CD -0.0034 -0.0073 -0.0021 2048 GLN 127 OE1 -0.0029 -0.0064 -0.0013 2049 GLN 127 NE2 -0.0039 -0.0079 -0.0022 2050 ALA 128 N -0.0017 -0.0074 -0.0058 2051 ALA 128 CA -0.0014 -0.0076 -0.0071 2052 ALA 128 C -0.0017 -0.0085 -0.0082 2053 ALA 128 O -0.0021 -0.0092 -0.0090 2054 ALA 128 CB -0.0003 -0.0066 -0.0075 2055 ALA 129 N -0.0016 -0.0084 -0.0083 2056 ALA 129 CA -0.0019 -0.0091 -0.0092 2057 ALA 129 C -0.0031 -0.0101 -0.0088 2058 ALA 129 O -0.0035 -0.0109 -0.0098 2059 ALA 129 CB -0.0016 -0.0087 -0.0091 2060 TYR 130 N -0.0036 -0.0083 -0.0064 2061 TYR 130 CA -0.0041 -0.0088 -0.0063 2062 TYR 130 C -0.0047 -0.0096 -0.0063 2063 TYR 130 O -0.0049 -0.0102 -0.0063 2064 TYR 130 CB -0.0047 -0.0081 -0.0060 2065 TYR 130 CG -0.0043 -0.0076 -0.0060 2066 TYR 130 CD1 -0.0044 -0.0079 -0.0061 2067 TYR 130 CD2 -0.0039 -0.0068 -0.0060 2068 TYR 130 CE1 -0.0039 -0.0075 -0.0062 2069 TYR 130 CE2 -0.0033 -0.0064 -0.0062 2070 TYR 130 CZ -0.0035 -0.0067 -0.0062 2071 TYR 130 OH -0.0031 -0.0063 -0.0063 2072 GLN 131 N -0.0050 -0.0096 -0.0061 2073 GLN 131 CA -0.0054 -0.0104 -0.0061 2074 GLN 131 C -0.0049 -0.0112 -0.0065 2075 GLN 131 O -0.0052 -0.0119 -0.0065 2076 GLN 131 CB -0.0056 -0.0102 -0.0060 2077 GLN 131 CG -0.0064 -0.0096 -0.0056 2078 GLN 131 CD -0.0073 -0.0099 -0.0053 2079 GLN 131 OE1 -0.0078 -0.0093 -0.0050 2080 GLN 131 NE2 -0.0076 -0.0107 -0.0053 2081 LYS 132 N -0.0041 -0.0110 -0.0068 2082 LYS 132 CA -0.0035 -0.0117 -0.0071 2083 LYS 132 C -0.0034 -0.0121 -0.0072 2084 LYS 132 O -0.0035 -0.0129 -0.0074 2085 LYS 132 CB -0.0027 -0.0115 -0.0074 2086 LYS 132 CG -0.0026 -0.0114 -0.0074 2087 LYS 132 CD -0.0018 -0.0111 -0.0077 2088 LYS 132 CE -0.0020 -0.0109 -0.0076 2089 LYS 132 NZ -0.0008 -0.0107 -0.0080 2090 VAL 133 N -0.0048 -0.0103 -0.0069 2091 VAL 133 CA -0.0041 -0.0109 -0.0072 2092 VAL 133 C -0.0035 -0.0112 -0.0065 2093 VAL 133 O -0.0030 -0.0116 -0.0062 2094 VAL 133 CB -0.0040 -0.0111 -0.0081 2095 VAL 133 CG1 -0.0033 -0.0117 -0.0083 2096 VAL 133 CG2 -0.0046 -0.0108 -0.0088 2097 VAL 134 N -0.0035 -0.0112 -0.0062 2098 VAL 134 CA -0.0030 -0.0115 -0.0056 2099 VAL 134 C -0.0030 -0.0113 -0.0048 2100 VAL 134 O -0.0023 -0.0117 -0.0042 2101 VAL 134 CB -0.0028 -0.0115 -0.0054 2102 VAL 134 CG1 -0.0027 -0.0118 -0.0063 2103 VAL 134 CG2 -0.0035 -0.0110 -0.0051 2104 ALA 135 N -0.0036 -0.0108 -0.0043 2105 ALA 135 CA -0.0036 -0.0107 -0.0035 2106 ALA 135 C -0.0033 -0.0109 -0.0036 2107 ALA 135 O -0.0029 -0.0111 -0.0029 2108 ALA 135 CB -0.0043 -0.0101 -0.0032 2109 GLY 136 N -0.0053 -0.0139 -0.0044 2110 GLY 136 CA -0.0060 -0.0135 -0.0042 2111 GLY 136 C -0.0046 -0.0138 -0.0042 2112 GLY 136 O -0.0043 -0.0130 -0.0035 2113 VAL 137 N -0.0038 -0.0150 -0.0052 2114 VAL 137 CA -0.0024 -0.0153 -0.0052 2115 VAL 137 C -0.0010 -0.0146 -0.0043 2116 VAL 137 O -0.0004 -0.0140 -0.0038 2117 VAL 137 CB -0.0018 -0.0168 -0.0064 2118 VAL 137 CG1 -0.0004 -0.0170 -0.0063 2119 VAL 137 CG2 -0.0033 -0.0174 -0.0072 2120 ALA 138 N -0.0006 -0.0142 -0.0040 2121 ALA 138 CA 0.0007 -0.0134 -0.0031 2122 ALA 138 C 0.0005 -0.0122 -0.0021 2123 ALA 138 O 0.0014 -0.0115 -0.0013 2124 ALA 138 CB 0.0011 -0.0134 -0.0030 2125 ASN 139 N -0.0006 -0.0155 -0.0010 2126 ASN 139 CA -0.0007 -0.0152 0.0004 2127 ASN 139 C -0.0002 -0.0148 0.0010 2128 ASN 139 O 0.0004 -0.0144 0.0018 2129 ASN 139 CB -0.0020 -0.0156 0.0009 2130 ASN 139 CG -0.0022 -0.0157 0.0009 2131 ASN 139 OD1 -0.0024 -0.0159 0.0005 2132 ASN 139 ND2 -0.0038 -0.0165 0.0005 2133 ALA 140 N 0.0000 -0.0149 0.0004 2134 ALA 140 CA 0.0006 -0.0145 0.0008 2135 ALA 140 C 0.0018 -0.0141 0.0006 2136 ALA 140 O 0.0025 -0.0136 0.0014 2137 ALA 140 CB 0.0005 -0.0148 0.0002 2138 LEU 141 N 0.0023 -0.0141 -0.0003 2139 LEU 141 CA 0.0034 -0.0137 -0.0005 2140 LEU 141 C 0.0037 -0.0133 0.0004 2141 LEU 141 O 0.0046 -0.0129 0.0005 2142 LEU 141 CB 0.0038 -0.0138 -0.0018 2143 LEU 141 CG 0.0041 -0.0139 -0.0026 2144 LEU 141 CD1 0.0044 -0.0141 -0.0038 2145 LEU 141 CD2 0.0052 -0.0134 -0.0024 2146 ALA 142 N 0.0042 -0.0126 0.0014 2147 ALA 142 CA 0.0043 -0.0124 0.0006 2148 ALA 142 C 0.0042 -0.0120 0.0023 2149 ALA 142 O 0.0043 -0.0116 0.0015 2150 ALA 142 CB 0.0042 -0.0139 -0.0004 2151 HIS 143 N 0.0040 -0.0123 0.0036 2152 HIS 143 CA 0.0037 -0.0125 0.0051 2153 HIS 143 C 0.0040 -0.0108 0.0052 2154 HIS 143 O 0.0039 -0.0109 0.0058 2155 HIS 143 CB 0.0035 -0.0127 0.0065 2156 HIS 143 CG 0.0033 -0.0132 0.0081 2157 HIS 143 ND1 0.0034 -0.0115 0.0092 2158 HIS 143 CD2 0.0031 -0.0142 0.0078 2159 HIS 143 CE1 0.0030 -0.0130 0.0102 2160 HIS 143 NE2 0.0030 -0.0142 0.0092 2161 LYS 144 N 0.0042 -0.0094 0.0049 2162 LYS 144 CA 0.0044 -0.0079 0.0053 2163 LYS 144 C 0.0047 -0.0075 0.0039 2164 LYS 144 O 0.0049 -0.0059 0.0039 2165 LYS 144 CB 0.0045 -0.0068 0.0060 2166 LYS 144 CG 0.0042 -0.0073 0.0079 2167 LYS 144 CD 0.0041 -0.0067 0.0092 2168 LYS 144 CE 0.0040 -0.0058 0.0114 2169 LYS 144 NZ 0.0042 -0.0041 0.0120 2170 TYR 145 N 0.0058 -0.0033 -0.0001 2171 TYR 145 CA 0.0066 -0.0028 -0.0016 2172 TYR 145 C 0.0065 -0.0014 -0.0024 2173 TYR 145 O 0.0064 -0.0022 -0.0018 2174 TYR 145 CB 0.0076 -0.0036 -0.0025 2175 TYR 145 CG 0.0078 -0.0042 -0.0024 2176 TYR 145 CD1 0.0084 -0.0037 -0.0036 2177 TYR 145 CD2 0.0072 -0.0049 -0.0010 2178 TYR 145 CE1 0.0085 -0.0040 -0.0035 2179 TYR 145 CE2 0.0072 -0.0052 -0.0008 2180 TYR 145 CZ 0.0079 -0.0048 -0.0021 2181 TYR 145 OH 0.0081 -0.0054 -0.0019 2182 HIS 146 N 0.0065 -0.0004 -0.0031 2183 HIS 146 CA 0.0065 0.0010 -0.0040 2184 HIS 146 C 0.0070 0.0019 -0.0053 2185 HIS 146 O 0.0073 0.0018 -0.0056 2186 HIS 146 CB 0.0053 0.0018 -0.0029 2187 HIS 146 CG 0.0047 0.0037 -0.0033 2188 HIS 146 ND1 0.0039 0.0042 -0.0026 2189 HIS 146 CD2 0.0043 0.0027 -0.0021 2190 HIS 146 CE1 0.0030 0.0053 -0.0020 2191 HIS 146 NE2 0.0039 0.0041 -0.0024 2192 HIS 146 OXT 0.0072 0.0027 -0.0062 2193 VAL 1 N -0.0054 0.0031 -0.0056 2194 VAL 1 CA -0.0085 0.0035 -0.0050 2195 VAL 1 C -0.0097 0.0018 -0.0008 2196 VAL 1 O -0.0108 0.0014 0.0007 2197 VAL 1 CB -0.0102 0.0046 -0.0064 2198 VAL 1 CG1 -0.0139 0.0046 -0.0044 2199 VAL 1 CG2 -0.0116 0.0063 -0.0091 2200 LEU 2 N -0.0082 0.0006 0.0011 2201 LEU 2 CA -0.0078 -0.0011 0.0043 2202 LEU 2 C -0.0120 -0.0012 0.0065 2203 LEU 2 O -0.0120 -0.0008 0.0058 2204 LEU 2 CB -0.0053 -0.0022 0.0054 2205 LEU 2 CG -0.0014 -0.0031 0.0051 2206 LEU 2 CD1 0.0011 -0.0038 0.0055 2207 LEU 2 CD2 -0.0010 -0.0033 0.0054 2208 SER 3 N -0.0139 -0.0012 0.0077 2209 SER 3 CA -0.0171 -0.0014 0.0097 2210 SER 3 C -0.0161 -0.0030 0.0124 2211 SER 3 O -0.0135 -0.0043 0.0139 2212 SER 3 CB -0.0190 -0.0012 0.0101 2213 SER 3 OG -0.0179 -0.0027 0.0127 2214 PRO 4 N -0.0196 0.0007 0.0165 2215 PRO 4 CA -0.0200 -0.0014 0.0188 2216 PRO 4 C -0.0184 -0.0039 0.0201 2217 PRO 4 O -0.0171 -0.0061 0.0213 2218 PRO 4 CB -0.0238 -0.0006 0.0206 2219 PRO 4 CG -0.0249 0.0026 0.0183 2220 PRO 4 CD -0.0223 0.0034 0.0157 2221 ALA 5 N -0.0188 -0.0026 0.0191 2222 ALA 5 CA -0.0172 -0.0045 0.0199 2223 ALA 5 C -0.0135 -0.0062 0.0189 2224 ALA 5 O -0.0120 -0.0084 0.0200 2225 ALA 5 CB -0.0178 -0.0038 0.0195 2226 ASP 6 N -0.0124 -0.0043 0.0163 2227 ASP 6 CA -0.0091 -0.0052 0.0149 2228 ASP 6 C -0.0082 -0.0075 0.0165 2229 ASP 6 O -0.0056 -0.0095 0.0166 2230 ASP 6 CB -0.0081 -0.0029 0.0120 2231 ASP 6 CG -0.0082 -0.0011 0.0103 2232 ASP 6 OD1 -0.0073 -0.0021 0.0107 2233 ASP 6 OD2 -0.0087 0.0012 0.0084 2234 LYS 7 N -0.0105 -0.0059 0.0145 2235 LYS 7 CA -0.0094 -0.0077 0.0161 2236 LYS 7 C -0.0090 -0.0090 0.0177 2237 LYS 7 O -0.0076 -0.0105 0.0185 2238 LYS 7 CB -0.0105 -0.0068 0.0159 2239 LYS 7 CG -0.0106 -0.0053 0.0137 2240 LYS 7 CD -0.0108 -0.0050 0.0135 2241 LYS 7 CE -0.0121 -0.0034 0.0125 2242 LYS 7 NZ -0.0132 -0.0021 0.0117 2243 THR 8 N -0.0111 -0.0083 0.0191 2244 THR 8 CA -0.0110 -0.0097 0.0212 2245 THR 8 C -0.0095 -0.0108 0.0212 2246 THR 8 O -0.0084 -0.0124 0.0224 2247 THR 8 CB -0.0138 -0.0086 0.0226 2248 THR 8 OG1 -0.0148 -0.0081 0.0230 2249 THR 8 CG2 -0.0138 -0.0099 0.0247 2250 ASN 9 N -0.0092 -0.0099 0.0194 2251 ASN 9 CA -0.0076 -0.0106 0.0186 2252 ASN 9 C -0.0054 -0.0119 0.0180 2253 ASN 9 O -0.0041 -0.0134 0.0189 2254 ASN 9 CB -0.0081 -0.0091 0.0169 2255 ASN 9 CG -0.0099 -0.0083 0.0177 2256 ASN 9 OD1 -0.0107 -0.0090 0.0197 2257 ASN 9 ND2 -0.0108 -0.0068 0.0163 2258 VAL 10 N -0.0056 -0.0084 0.0161 2259 VAL 10 CA -0.0058 -0.0090 0.0160 2260 VAL 10 C -0.0062 -0.0098 0.0163 2261 VAL 10 O -0.0062 -0.0103 0.0159 2262 VAL 10 CB -0.0059 -0.0090 0.0163 2263 VAL 10 CG1 -0.0061 -0.0097 0.0162 2264 VAL 10 CG2 -0.0056 -0.0085 0.0158 2265 LYS 11 N -0.0063 -0.0096 0.0170 2266 LYS 11 CA -0.0066 -0.0101 0.0173 2267 LYS 11 C -0.0065 -0.0103 0.0169 2268 LYS 11 O -0.0067 -0.0109 0.0167 2269 LYS 11 CB -0.0067 -0.0099 0.0180 2270 LYS 11 CG -0.0068 -0.0098 0.0186 2271 LYS 11 CD -0.0070 -0.0097 0.0193 2272 LYS 11 CE -0.0071 -0.0096 0.0198 2273 LYS 11 NZ -0.0069 -0.0087 0.0203 2274 ALA 12 N -0.0063 -0.0098 0.0166 2275 ALA 12 CA -0.0062 -0.0100 0.0162 2276 ALA 12 C -0.0062 -0.0105 0.0156 2277 ALA 12 O -0.0063 -0.0111 0.0152 2278 ALA 12 CB -0.0060 -0.0095 0.0159 2279 ALA 13 N -0.0108 -0.0083 0.0110 2280 ALA 13 CA -0.0091 -0.0084 0.0110 2281 ALA 13 C -0.0092 -0.0083 0.0110 2282 ALA 13 O -0.0085 -0.0094 0.0110 2283 ALA 13 CB -0.0079 -0.0073 0.0109 2284 TRP 14 N -0.0099 -0.0070 0.0109 2285 TRP 14 CA -0.0098 -0.0066 0.0108 2286 TRP 14 C -0.0109 -0.0078 0.0110 2287 TRP 14 O -0.0106 -0.0087 0.0110 2288 TRP 14 CB -0.0107 -0.0051 0.0107 2289 TRP 14 CG -0.0099 -0.0045 0.0107 2290 TRP 14 CD1 -0.0111 -0.0046 0.0107 2291 TRP 14 CD2 -0.0083 -0.0039 0.0106 2292 TRP 14 NE1 -0.0099 -0.0038 0.0106 2293 TRP 14 CE2 -0.0084 -0.0036 0.0106 2294 TRP 14 CE3 -0.0071 -0.0038 0.0105 2295 TRP 14 CZ2 -0.0069 -0.0033 0.0105 2296 TRP 14 CZ3 -0.0054 -0.0033 0.0105 2297 TRP 14 CH2 -0.0056 -0.0031 0.0105 2298 GLY 15 N -0.0120 -0.0086 0.0111 2299 GLY 15 CA -0.0132 -0.0100 0.0112 2300 GLY 15 C -0.0122 -0.0114 0.0113 2301 GLY 15 O -0.0121 -0.0121 0.0114 2302 LYS 16 N -0.0161 -0.0073 0.0063 2303 LYS 16 CA -0.0147 -0.0083 0.0045 2304 LYS 16 C -0.0152 -0.0090 0.0041 2305 LYS 16 O -0.0154 -0.0104 0.0028 2306 LYS 16 CB -0.0128 -0.0082 0.0034 2307 LYS 16 CG -0.0129 -0.0097 0.0020 2308 LYS 16 CD -0.0117 -0.0105 0.0005 2309 LYS 16 CE -0.0122 -0.0130 -0.0018 2310 LYS 16 NZ -0.0118 -0.0135 -0.0025 2311 VAL 17 N -0.0156 -0.0079 0.0054 2312 VAL 17 CA -0.0159 -0.0082 0.0053 2313 VAL 17 C -0.0177 -0.0097 0.0050 2314 VAL 17 O -0.0184 -0.0112 0.0040 2315 VAL 17 CB -0.0153 -0.0067 0.0065 2316 VAL 17 CG1 -0.0165 -0.0072 0.0066 2317 VAL 17 CG2 -0.0128 -0.0057 0.0059 2318 GLY 18 N -0.0192 -0.0090 0.0067 2319 GLY 18 CA -0.0213 -0.0105 0.0065 2320 GLY 18 C -0.0224 -0.0110 0.0067 2321 GLY 18 O -0.0222 -0.0100 0.0075 2322 ALA 19 N -0.0347 -0.0144 0.0056 2323 ALA 19 CA -0.0349 -0.0156 0.0053 2324 ALA 19 C -0.0310 -0.0161 0.0032 2325 ALA 19 O -0.0301 -0.0167 0.0027 2326 ALA 19 CB -0.0372 -0.0201 0.0051 2327 HIS 20 N -0.0268 -0.0152 0.0015 2328 HIS 20 CA -0.0224 -0.0149 -0.0005 2329 HIS 20 C -0.0214 -0.0099 0.0004 2330 HIS 20 O -0.0175 -0.0092 -0.0012 2331 HIS 20 CB -0.0194 -0.0150 -0.0020 2332 HIS 20 CG -0.0197 -0.0196 -0.0032 2333 HIS 20 ND1 -0.0190 -0.0234 -0.0046 2334 HIS 20 CD2 -0.0223 -0.0210 -0.0024 2335 HIS 20 CE1 -0.0213 -0.0279 -0.0049 2336 HIS 20 NE2 -0.0221 -0.0249 -0.0036 2337 ALA 21 N -0.0239 -0.0067 0.0026 2338 ALA 21 CA -0.0230 -0.0019 0.0036 2339 ALA 21 C -0.0216 -0.0016 0.0030 2340 ALA 21 O -0.0177 0.0006 0.0018 2341 ALA 21 CB -0.0272 0.0001 0.0062 2342 GLY 22 N -0.0203 -0.0031 -0.0019 2343 GLY 22 CA -0.0184 -0.0029 -0.0023 2344 GLY 22 C -0.0160 -0.0041 -0.0028 2345 GLY 22 O -0.0134 -0.0026 -0.0035 2346 GLU 23 N -0.0147 -0.0068 -0.0031 2347 GLU 23 CA -0.0121 -0.0081 -0.0037 2348 GLU 23 C -0.0102 -0.0057 -0.0042 2349 GLU 23 O -0.0074 -0.0054 -0.0048 2350 GLU 23 CB -0.0122 -0.0114 -0.0036 2351 GLU 23 CG -0.0094 -0.0129 -0.0042 2352 GLU 23 CD -0.0112 -0.0173 -0.0037 2353 GLU 23 OE1 -0.0086 -0.0161 -0.0044 2354 GLU 23 OE2 -0.0127 -0.0164 -0.0034 2355 TYR 24 N -0.0119 -0.0051 -0.0038 2356 TYR 24 CA -0.0107 -0.0031 -0.0041 2357 TYR 24 C -0.0094 0.0001 -0.0044 2358 TYR 24 O -0.0075 0.0016 -0.0049 2359 TYR 24 CB -0.0123 -0.0029 -0.0037 2360 TYR 24 CG -0.0130 -0.0058 -0.0035 2361 TYR 24 CD1 -0.0151 -0.0052 -0.0030 2362 TYR 24 CD2 -0.0114 -0.0084 -0.0038 2363 TYR 24 CE1 -0.0158 -0.0083 -0.0028 2364 TYR 24 CE2 -0.0121 -0.0114 -0.0036 2365 TYR 24 CZ -0.0140 -0.0104 -0.0032 2366 TYR 24 OH -0.0148 -0.0134 -0.0030 2367 GLY 25 N -0.0102 0.0021 -0.0077 2368 GLY 25 CA -0.0097 0.0038 -0.0083 2369 GLY 25 C -0.0080 0.0039 -0.0083 2370 GLY 25 O -0.0066 0.0050 -0.0087 2371 ALA 26 N -0.0069 0.0029 -0.0080 2372 ALA 26 CA -0.0051 0.0028 -0.0080 2373 ALA 26 C -0.0039 0.0027 -0.0079 2374 ALA 26 O -0.0025 0.0032 -0.0081 2375 ALA 26 CB -0.0047 0.0016 -0.0076 2376 GLU 27 N -0.0045 0.0012 -0.0074 2377 GLU 27 CA -0.0032 0.0007 -0.0072 2378 GLU 27 C -0.0033 0.0021 -0.0077 2379 GLU 27 O -0.0018 0.0026 -0.0079 2380 GLU 27 CB -0.0043 -0.0007 -0.0068 2381 GLU 27 CG -0.0031 -0.0013 -0.0066 2382 GLU 27 CD -0.0038 -0.0029 -0.0060 2383 GLU 27 OE1 -0.0040 -0.0029 -0.0060 2384 GLU 27 OE2 -0.0048 -0.0040 -0.0056 2385 ALA 28 N -0.0023 0.0035 -0.0092 2386 ALA 28 CA -0.0018 0.0038 -0.0087 2387 ALA 28 C -0.0018 0.0042 -0.0082 2388 ALA 28 O -0.0013 0.0043 -0.0079 2389 ALA 28 CB -0.0020 0.0039 -0.0087 2390 LEU 29 N -0.0025 0.0044 -0.0082 2391 LEU 29 CA -0.0025 0.0048 -0.0077 2392 LEU 29 C -0.0022 0.0047 -0.0077 2393 LEU 29 O -0.0019 0.0049 -0.0073 2394 LEU 29 CB -0.0034 0.0050 -0.0077 2395 LEU 29 CG -0.0037 0.0053 -0.0076 2396 LEU 29 CD1 -0.0044 0.0054 -0.0077 2397 LEU 29 CD2 -0.0035 0.0056 -0.0070 2398 GLU 30 N -0.0022 0.0044 -0.0081 2399 GLU 30 CA -0.0019 0.0042 -0.0083 2400 GLU 30 C -0.0012 0.0041 -0.0081 2401 GLU 30 O -0.0009 0.0042 -0.0078 2402 GLU 30 CB -0.0021 0.0038 -0.0088 2403 GLU 30 CG -0.0018 0.0037 -0.0089 2404 GLU 30 CD -0.0021 0.0032 -0.0095 2405 GLU 30 OE1 -0.0025 0.0032 -0.0097 2406 GLU 30 OE2 -0.0020 0.0033 -0.0094 2407 ARG 31 N -0.0006 0.0027 -0.0068 2408 ARG 31 CA -0.0014 0.0020 -0.0064 2409 ARG 31 C -0.0015 0.0019 -0.0071 2410 ARG 31 O -0.0017 0.0017 -0.0066 2411 ARG 31 CB -0.0020 0.0014 -0.0067 2412 ARG 31 CG -0.0021 0.0014 -0.0057 2413 ARG 31 CD -0.0027 0.0008 -0.0060 2414 ARG 31 NE -0.0028 0.0008 -0.0052 2415 ARG 31 CZ -0.0031 0.0005 -0.0042 2416 ARG 31 NH1 -0.0034 0.0002 -0.0039 2417 ARG 31 NH2 -0.0030 0.0006 -0.0036 2418 MET 32 N -0.0014 0.0020 -0.0081 2419 MET 32 CA -0.0014 0.0020 -0.0089 2420 MET 32 C -0.0008 0.0025 -0.0085 2421 MET 32 O -0.0011 0.0022 -0.0084 2422 MET 32 CB -0.0013 0.0021 -0.0100 2423 MET 32 CG -0.0013 0.0020 -0.0107 2424 MET 32 SD -0.0011 0.0022 -0.0121 2425 MET 32 CE -0.0000 0.0031 -0.0119 2426 PHE 33 N -0.0001 0.0032 -0.0083 2427 PHE 33 CA 0.0005 0.0036 -0.0080 2428 PHE 33 C 0.0002 0.0035 -0.0070 2429 PHE 33 O 0.0004 0.0036 -0.0069 2430 PHE 33 CB 0.0013 0.0044 -0.0080 2431 PHE 33 CG 0.0016 0.0047 -0.0090 2432 PHE 33 CD1 0.0015 0.0046 -0.0099 2433 PHE 33 CD2 0.0021 0.0051 -0.0090 2434 PHE 33 CE1 0.0018 0.0048 -0.0109 2435 PHE 33 CE2 0.0023 0.0053 -0.0100 2436 PHE 33 CZ 0.0022 0.0052 -0.0109 2437 LEU 34 N -0.0007 0.0033 -0.0072 2438 LEU 34 CA -0.0013 0.0036 -0.0071 2439 LEU 34 C -0.0017 0.0033 -0.0072 2440 LEU 34 O -0.0023 0.0031 -0.0072 2441 LEU 34 CB -0.0014 0.0042 -0.0069 2442 LEU 34 CG -0.0011 0.0046 -0.0069 2443 LEU 34 CD1 -0.0011 0.0053 -0.0067 2444 LEU 34 CD2 -0.0014 0.0045 -0.0069 2445 SER 35 N -0.0014 0.0032 -0.0072 2446 SER 35 CA -0.0018 0.0029 -0.0073 2447 SER 35 C -0.0020 0.0022 -0.0075 2448 SER 35 O -0.0024 0.0020 -0.0075 2449 SER 35 CB -0.0015 0.0030 -0.0073 2450 SER 35 OG -0.0015 0.0037 -0.0071 2451 PHE 36 N -0.0015 0.0018 -0.0076 2452 PHE 36 CA -0.0015 0.0012 -0.0078 2453 PHE 36 C -0.0013 0.0010 -0.0079 2454 PHE 36 O -0.0008 0.0008 -0.0079 2455 PHE 36 CB -0.0010 0.0009 -0.0079 2456 PHE 36 CG -0.0010 0.0012 -0.0078 2457 PHE 36 CD1 -0.0006 0.0016 -0.0077 2458 PHE 36 CD2 -0.0016 0.0010 -0.0078 2459 PHE 36 CE1 -0.0006 0.0019 -0.0076 2460 PHE 36 CE2 -0.0016 0.0012 -0.0078 2461 PHE 36 CZ -0.0011 0.0017 -0.0077 2462 PRO 37 N 0.0042 0.0004 -0.0081 2463 PRO 37 CA 0.0035 0.0009 -0.0079 2464 PRO 37 C 0.0034 0.0005 -0.0074 2465 PRO 37 O 0.0030 0.0009 -0.0074 2466 PRO 37 CB 0.0028 0.0011 -0.0075 2467 PRO 37 CG 0.0031 0.0007 -0.0074 2468 PRO 37 CD 0.0040 0.0004 -0.0079 2469 THR 38 N 0.0039 -0.0001 -0.0070 2470 THR 38 CA 0.0039 -0.0005 -0.0066 2471 THR 38 C 0.0041 -0.0003 -0.0071 2472 THR 38 O 0.0039 -0.0003 -0.0068 2473 THR 38 CB 0.0043 -0.0013 -0.0059 2474 THR 38 OG1 0.0052 -0.0015 -0.0065 2475 THR 38 CG2 0.0047 -0.0014 -0.0063 2476 THR 39 N 0.0046 -0.0001 -0.0078 2477 THR 39 CA 0.0049 0.0001 -0.0084 2478 THR 39 C 0.0042 0.0008 -0.0085 2479 THR 39 O 0.0042 0.0009 -0.0087 2480 THR 39 CB 0.0055 0.0003 -0.0092 2481 THR 39 OG1 0.0052 0.0008 -0.0096 2482 THR 39 CG2 0.0062 -0.0005 -0.0090 2483 LYS 40 N 0.0061 0.0022 -0.0090 2484 LYS 40 CA 0.0042 0.0035 -0.0095 2485 LYS 40 C 0.0032 0.0034 -0.0079 2486 LYS 40 O 0.0019 0.0043 -0.0082 2487 LYS 40 CB 0.0030 0.0041 -0.0094 2488 LYS 40 CG 0.0038 0.0044 -0.0112 2489 LYS 40 CD 0.0027 0.0048 -0.0104 2490 LYS 40 CE 0.0027 0.0051 -0.0113 2491 LYS 40 NZ 0.0014 0.0054 -0.0101 2492 THR 41 N 0.0038 0.0025 -0.0063 2493 THR 41 CA 0.0029 0.0023 -0.0045 2494 THR 41 C 0.0031 0.0025 -0.0053 2495 THR 41 O 0.0019 0.0028 -0.0042 2496 THR 41 CB 0.0037 0.0011 -0.0028 2497 THR 41 OG1 0.0054 0.0002 -0.0031 2498 THR 41 CG2 0.0036 0.0009 -0.0021 2499 TYR 42 N 0.0041 0.0025 -0.0068 2500 TYR 42 CA 0.0043 0.0026 -0.0073 2501 TYR 42 C 0.0031 0.0039 -0.0088 2502 TYR 42 O 0.0029 0.0042 -0.0094 2503 TYR 42 CB 0.0061 0.0019 -0.0084 2504 TYR 42 CG 0.0073 0.0006 -0.0068 2505 TYR 42 CD1 0.0074 0.0000 -0.0054 2506 TYR 42 CD2 0.0084 -0.0001 -0.0066 2507 TYR 42 CE1 0.0083 -0.0011 -0.0041 2508 TYR 42 CE2 0.0094 -0.0013 -0.0052 2509 TYR 42 CZ 0.0094 -0.0018 -0.0038 2510 TYR 42 OH 0.0105 -0.0030 -0.0026 2511 PHE 43 N -0.0000 0.0097 -0.0133 2512 PHE 43 CA -0.0008 0.0111 -0.0146 2513 PHE 43 C -0.0018 0.0122 -0.0135 2514 PHE 43 O -0.0021 0.0128 -0.0140 2515 PHE 43 CB -0.0002 0.0105 -0.0160 2516 PHE 43 CG 0.0008 0.0094 -0.0172 2517 PHE 43 CD1 0.0018 0.0078 -0.0166 2518 PHE 43 CD2 0.0006 0.0100 -0.0190 2519 PHE 43 CE1 0.0026 0.0069 -0.0178 2520 PHE 43 CE2 0.0015 0.0089 -0.0199 2521 PHE 43 CZ 0.0026 0.0073 -0.0195 2522 PRO 44 N -0.0023 0.0128 -0.0121 2523 PRO 44 CA -0.0032 0.0138 -0.0110 2524 PRO 44 C -0.0042 0.0153 -0.0121 2525 PRO 44 O -0.0049 0.0162 -0.0117 2526 PRO 44 CB -0.0034 0.0137 -0.0094 2527 PRO 44 CG -0.0030 0.0134 -0.0103 2528 PRO 44 CD -0.0020 0.0122 -0.0116 2529 HIS 45 N -0.0041 0.0155 -0.0134 2530 HIS 45 CA -0.0050 0.0169 -0.0147 2531 HIS 45 C -0.0049 0.0171 -0.0163 2532 HIS 45 O -0.0055 0.0181 -0.0173 2533 HIS 45 CB -0.0049 0.0170 -0.0156 2534 HIS 45 CG -0.0040 0.0159 -0.0166 2535 HIS 45 ND1 -0.0031 0.0144 -0.0156 2536 HIS 45 CD2 -0.0037 0.0158 -0.0184 2537 HIS 45 CE1 -0.0025 0.0139 -0.0169 2538 HIS 45 NE2 -0.0027 0.0145 -0.0186 2539 PHE 46 N -0.0051 0.0161 -0.0155 2540 PHE 46 CA -0.0050 0.0162 -0.0161 2541 PHE 46 C -0.0053 0.0165 -0.0153 2542 PHE 46 O -0.0054 0.0162 -0.0142 2543 PHE 46 CB -0.0046 0.0149 -0.0166 2544 PHE 46 CG -0.0044 0.0149 -0.0177 2545 PHE 46 CD1 -0.0040 0.0142 -0.0185 2546 PHE 46 CD2 -0.0043 0.0151 -0.0183 2547 PHE 46 CE1 -0.0037 0.0139 -0.0196 2548 PHE 46 CE2 -0.0041 0.0149 -0.0190 2549 PHE 46 CZ -0.0037 0.0140 -0.0200 2550 ASP 47 N -0.0054 0.0171 -0.0157 2551 ASP 47 CA -0.0055 0.0170 -0.0150 2552 ASP 47 C -0.0051 0.0159 -0.0153 2553 ASP 47 O -0.0049 0.0158 -0.0164 2554 ASP 47 CB -0.0057 0.0181 -0.0157 2555 ASP 47 CG -0.0059 0.0183 -0.0147 2556 ASP 47 OD1 -0.0057 0.0174 -0.0146 2557 ASP 47 OD2 -0.0060 0.0192 -0.0152 2558 LEU 48 N -0.0051 0.0152 -0.0144 2559 LEU 48 CA -0.0047 0.0140 -0.0147 2560 LEU 48 C -0.0048 0.0140 -0.0144 2561 LEU 48 O -0.0045 0.0131 -0.0144 2562 LEU 48 CB -0.0047 0.0132 -0.0139 2563 LEU 48 CG -0.0045 0.0128 -0.0140 2564 LEU 48 CD1 -0.0045 0.0120 -0.0133 2565 LEU 48 CD2 -0.0042 0.0126 -0.0155 2566 SER 49 N -0.0085 0.0175 -0.0147 2567 SER 49 CA -0.0083 0.0171 -0.0147 2568 SER 49 C -0.0086 0.0172 -0.0144 2569 SER 49 O -0.0089 0.0172 -0.0140 2570 SER 49 CB -0.0081 0.0166 -0.0149 2571 SER 49 OG -0.0081 0.0164 -0.0148 2572 HIS 50 N -0.0085 0.0171 -0.0145 2573 HIS 50 CA -0.0088 0.0171 -0.0142 2574 HIS 50 C -0.0089 0.0166 -0.0138 2575 HIS 50 O -0.0087 0.0163 -0.0140 2576 HIS 50 CB -0.0086 0.0171 -0.0143 2577 HIS 50 CG -0.0089 0.0171 -0.0140 2578 HIS 50 ND1 -0.0089 0.0166 -0.0139 2579 HIS 50 CD2 -0.0092 0.0173 -0.0137 2580 HIS 50 CE1 -0.0091 0.0167 -0.0135 2581 HIS 50 NE2 -0.0094 0.0172 -0.0134 2582 GLY 51 N -0.0092 0.0167 -0.0135 2583 GLY 51 CA -0.0094 0.0164 -0.0132 2584 GLY 51 C -0.0094 0.0162 -0.0130 2585 GLY 51 O -0.0096 0.0160 -0.0127 2586 SER 52 N -0.0077 0.0140 -0.0102 2587 SER 52 CA -0.0070 0.0142 -0.0111 2588 SER 52 C -0.0073 0.0142 -0.0109 2589 SER 52 O -0.0083 0.0143 -0.0109 2590 SER 52 CB -0.0072 0.0145 -0.0122 2591 SER 52 OG -0.0067 0.0147 -0.0129 2592 ALA 53 N -0.0066 0.0140 -0.0107 2593 ALA 53 CA -0.0068 0.0141 -0.0108 2594 ALA 53 C -0.0074 0.0144 -0.0118 2595 ALA 53 O -0.0079 0.0145 -0.0116 2596 ALA 53 CB -0.0059 0.0138 -0.0102 2597 GLN 54 N -0.0068 0.0146 -0.0125 2598 GLN 54 CA -0.0072 0.0150 -0.0137 2599 GLN 54 C -0.0087 0.0152 -0.0138 2600 GLN 54 O -0.0092 0.0154 -0.0142 2601 GLN 54 CB -0.0067 0.0152 -0.0146 2602 GLN 54 CG -0.0055 0.0151 -0.0148 2603 GLN 54 CD -0.0048 0.0152 -0.0158 2604 GLN 54 OE1 -0.0048 0.0152 -0.0158 2605 GLN 54 NE2 -0.0045 0.0154 -0.0166 2606 VAL 55 N -0.0081 0.0111 -0.0112 2607 VAL 55 CA -0.0085 0.0120 -0.0112 2608 VAL 55 C -0.0092 0.0117 -0.0105 2609 VAL 55 O -0.0098 0.0123 -0.0102 2610 VAL 55 CB -0.0080 0.0119 -0.0118 2611 VAL 55 CG1 -0.0085 0.0126 -0.0116 2612 VAL 55 CG2 -0.0075 0.0122 -0.0125 2613 LYS 56 N -0.0091 0.0109 -0.0100 2614 LYS 56 CA -0.0097 0.0106 -0.0093 2615 LYS 56 C -0.0102 0.0108 -0.0089 2616 LYS 56 O -0.0109 0.0113 -0.0085 2617 LYS 56 CB -0.0095 0.0097 -0.0090 2618 LYS 56 CG -0.0091 0.0094 -0.0093 2619 LYS 56 CD -0.0096 0.0085 -0.0082 2620 LYS 56 CE -0.0086 0.0082 -0.0091 2621 LYS 56 NZ -0.0087 0.0072 -0.0084 2622 GLY 57 N -0.0100 0.0108 -0.0091 2623 GLY 57 CA -0.0105 0.0109 -0.0087 2624 GLY 57 C -0.0109 0.0119 -0.0088 2625 GLY 57 O -0.0116 0.0122 -0.0083 2626 HIS 58 N -0.0088 0.0087 -0.0085 2627 HIS 58 CA -0.0094 0.0101 -0.0090 2628 HIS 58 C -0.0107 0.0091 -0.0087 2629 HIS 58 O -0.0120 0.0100 -0.0090 2630 HIS 58 CB -0.0080 0.0111 -0.0094 2631 HIS 58 CG -0.0085 0.0126 -0.0099 2632 HIS 58 ND1 -0.0095 0.0137 -0.0104 2633 HIS 58 CD2 -0.0081 0.0131 -0.0101 2634 HIS 58 CE1 -0.0098 0.0149 -0.0108 2635 HIS 58 NE2 -0.0089 0.0145 -0.0107 2636 GLY 59 N -0.0099 0.0079 -0.0082 2637 GLY 59 CA -0.0109 0.0072 -0.0080 2638 GLY 59 C -0.0128 0.0065 -0.0078 2639 GLY 59 O -0.0142 0.0069 -0.0079 2640 LYS 60 N -0.0131 0.0060 -0.0076 2641 LYS 60 CA -0.0149 0.0057 -0.0075 2642 LYS 60 C -0.0161 0.0072 -0.0081 2643 LYS 60 O -0.0177 0.0073 -0.0081 2644 LYS 60 CB -0.0147 0.0046 -0.0071 2645 LYS 60 CG -0.0166 0.0043 -0.0070 2646 LYS 60 CD -0.0171 0.0029 -0.0065 2647 LYS 60 CE -0.0188 0.0024 -0.0063 2648 LYS 60 NZ -0.0197 0.0042 -0.0070 2649 LYS 61 N -0.0141 0.0064 -0.0025 2650 LYS 61 CA -0.0147 0.0074 -0.0024 2651 LYS 61 C -0.0140 0.0070 -0.0022 2652 LYS 61 O -0.0147 0.0072 -0.0026 2653 LYS 61 CB -0.0144 0.0088 -0.0017 2654 LYS 61 CG -0.0152 0.0092 -0.0020 2655 LYS 61 CD -0.0152 0.0105 -0.0014 2656 LYS 61 CE -0.0164 0.0108 -0.0020 2657 LYS 61 NZ -0.0155 0.0123 -0.0008 2658 VAL 62 N -0.0126 0.0066 -0.0016 2659 VAL 62 CA -0.0120 0.0062 -0.0014 2660 VAL 62 C -0.0124 0.0051 -0.0021 2661 VAL 62 O -0.0128 0.0051 -0.0023 2662 VAL 62 CB -0.0105 0.0061 -0.0006 2663 VAL 62 CG1 -0.0098 0.0054 -0.0004 2664 VAL 62 CG2 -0.0103 0.0074 0.0001 2665 ALA 63 N -0.0125 0.0042 -0.0025 2666 ALA 63 CA -0.0128 0.0028 -0.0033 2667 ALA 63 C -0.0139 0.0031 -0.0039 2668 ALA 63 O -0.0144 0.0026 -0.0043 2669 ALA 63 CB -0.0126 0.0017 -0.0037 2670 ASP 64 N -0.0091 0.0023 -0.0013 2671 ASP 64 CA -0.0081 0.0022 -0.0017 2672 ASP 64 C -0.0065 0.0008 0.0004 2673 ASP 64 O -0.0045 0.0004 0.0000 2674 ASP 64 CB -0.0108 0.0032 -0.0022 2675 ASP 64 CG -0.0127 0.0048 -0.0049 2676 ASP 64 OD1 -0.0116 0.0052 -0.0064 2677 ASP 64 OD2 -0.0147 0.0051 -0.0041 2678 ALA 65 N -0.0074 -0.0000 0.0030 2679 ALA 65 CA -0.0058 -0.0014 0.0053 2680 ALA 65 C -0.0025 -0.0022 0.0049 2681 ALA 65 O -0.0003 -0.0029 0.0051 2682 ALA 65 CB -0.0068 -0.0022 0.0078 2683 LEU 66 N -0.0021 -0.0017 0.0034 2684 LEU 66 CA 0.0007 -0.0022 0.0027 2685 LEU 66 C 0.0023 -0.0017 0.0005 2686 LEU 66 O 0.0049 -0.0024 0.0004 2687 LEU 66 CB 0.0004 -0.0018 0.0021 2688 LEU 66 CG -0.0006 -0.0027 0.0048 2689 LEU 66 CD1 -0.0015 -0.0021 0.0039 2690 LEU 66 CD2 0.0016 -0.0041 0.0065 2691 THR 67 N -0.0013 -0.0012 0.0027 2692 THR 67 CA 0.0012 0.0003 0.0023 2693 THR 67 C 0.0033 -0.0015 0.0031 2694 THR 67 O 0.0055 -0.0011 0.0030 2695 THR 67 CB 0.0004 0.0019 0.0017 2696 THR 67 OG1 -0.0013 0.0037 0.0010 2697 THR 67 CG2 0.0032 0.0033 0.0014 2698 ASN 68 N 0.0029 -0.0035 0.0037 2699 ASN 68 CA 0.0047 -0.0052 0.0044 2700 ASN 68 C 0.0055 -0.0066 0.0049 2701 ASN 68 O 0.0083 -0.0073 0.0053 2702 ASN 68 CB 0.0039 -0.0070 0.0050 2703 ASN 68 CG 0.0059 -0.0092 0.0058 2704 ASN 68 OD1 0.0077 -0.0091 0.0059 2705 ASN 68 ND2 0.0049 -0.0119 0.0067 2706 ALA 69 N 0.0036 -0.0072 0.0050 2707 ALA 69 CA 0.0043 -0.0085 0.0055 2708 ALA 69 C 0.0063 -0.0066 0.0049 2709 ALA 69 O 0.0078 -0.0078 0.0054 2710 ALA 69 CB 0.0018 -0.0092 0.0056 2711 VAL 70 N 0.0021 -0.0063 0.0071 2712 VAL 70 CA 0.0016 -0.0049 0.0084 2713 VAL 70 C 0.0039 -0.0050 0.0086 2714 VAL 70 O 0.0029 -0.0050 0.0085 2715 VAL 70 CB 0.0011 -0.0034 0.0098 2716 VAL 70 CG1 0.0006 -0.0023 0.0108 2717 VAL 70 CG2 -0.0010 -0.0034 0.0095 2718 ALA 71 N 0.0053 -0.0050 0.0087 2719 ALA 71 CA 0.0077 -0.0051 0.0089 2720 ALA 71 C 0.0074 -0.0062 0.0078 2721 ALA 71 O 0.0085 -0.0065 0.0077 2722 ALA 71 CB 0.0093 -0.0048 0.0094 2723 HIS 72 N 0.0069 -0.0077 0.0063 2724 HIS 72 CA 0.0065 -0.0091 0.0050 2725 HIS 72 C 0.0051 -0.0097 0.0042 2726 HIS 72 O 0.0044 -0.0113 0.0026 2727 HIS 72 CB 0.0083 -0.0107 0.0036 2728 HIS 72 CG 0.0100 -0.0103 0.0043 2729 HIS 72 ND1 0.0126 -0.0106 0.0042 2730 HIS 72 CD2 0.0114 -0.0091 0.0055 2731 HIS 72 CE1 0.0138 -0.0101 0.0048 2732 HIS 72 NE2 0.0137 -0.0091 0.0058 2733 VAL 73 N 0.0042 -0.0079 0.0074 2734 VAL 73 CA 0.0019 -0.0082 0.0065 2735 VAL 73 C 0.0005 -0.0089 0.0038 2736 VAL 73 O -0.0008 -0.0093 0.0025 2737 VAL 73 CB -0.0006 -0.0077 0.0090 2738 VAL 73 CG1 -0.0007 -0.0075 0.0099 2739 VAL 73 CG2 -0.0022 -0.0080 0.0078 2740 ASP 74 N 0.0012 -0.0089 0.0037 2741 ASP 74 CA -0.0001 -0.0095 0.0011 2742 ASP 74 C 0.0014 -0.0102 -0.0017 2743 ASP 74 O 0.0007 -0.0105 -0.0029 2744 ASP 74 CB -0.0005 -0.0093 0.0023 2745 ASP 74 CG -0.0021 -0.0089 0.0043 2746 ASP 74 OD1 -0.0049 -0.0088 0.0051 2747 ASP 74 OD2 -0.0020 -0.0084 0.0063 2748 ASP 75 N 0.0038 -0.0099 -0.0010 2749 ASP 75 CA 0.0059 -0.0105 -0.0037 2750 ASP 75 C 0.0075 -0.0102 -0.0026 2751 ASP 75 O 0.0098 -0.0103 -0.0036 2752 ASP 75 CB 0.0079 -0.0103 -0.0033 2753 ASP 75 CG 0.0097 -0.0108 -0.0054 2754 ASP 75 OD1 0.0086 -0.0113 -0.0077 2755 ASP 75 OD2 0.0118 -0.0103 -0.0036 2756 MET 76 N 0.0062 -0.0089 -0.0019 2757 MET 76 CA 0.0072 -0.0079 -0.0009 2758 MET 76 C 0.0082 -0.0079 -0.0025 2759 MET 76 O 0.0100 -0.0067 -0.0020 2760 MET 76 CB 0.0050 -0.0084 0.0012 2761 MET 76 CG 0.0047 -0.0077 0.0035 2762 MET 76 SD 0.0026 -0.0081 0.0060 2763 MET 76 CE 0.0003 -0.0100 0.0047 2764 PRO 77 N 0.0072 -0.0093 -0.0044 2765 PRO 77 CA 0.0088 -0.0091 -0.0063 2766 PRO 77 C 0.0111 -0.0081 -0.0073 2767 PRO 77 O 0.0126 -0.0072 -0.0074 2768 PRO 77 CB 0.0071 -0.0109 -0.0083 2769 PRO 77 CG 0.0048 -0.0120 -0.0076 2770 PRO 77 CD 0.0055 -0.0108 -0.0056 2771 ASN 78 N 0.0121 -0.0077 -0.0080 2772 ASN 78 CA 0.0144 -0.0064 -0.0083 2773 ASN 78 C 0.0157 -0.0051 -0.0070 2774 ASN 78 O 0.0176 -0.0039 -0.0067 2775 ASN 78 CB 0.0148 -0.0071 -0.0106 2776 ASN 78 CG 0.0177 -0.0058 -0.0119 2777 ASN 78 OD1 0.0187 -0.0056 -0.0128 2778 ASN 78 ND2 0.0189 -0.0046 -0.0106 2779 ALA 79 N 0.0100 -0.0054 -0.0050 2780 ALA 79 CA 0.0113 -0.0043 -0.0030 2781 ALA 79 C 0.0125 -0.0032 -0.0014 2782 ALA 79 O 0.0141 -0.0018 -0.0004 2783 ALA 79 CB 0.0102 -0.0052 -0.0005 2784 LEU 80 N 0.0114 -0.0042 -0.0011 2785 LEU 80 CA 0.0124 -0.0033 0.0004 2786 LEU 80 C 0.0131 -0.0028 -0.0016 2787 LEU 80 O 0.0137 -0.0022 -0.0006 2788 LEU 80 CB 0.0108 -0.0046 0.0020 2789 LEU 80 CG 0.0097 -0.0056 0.0042 2790 LEU 80 CD1 0.0083 -0.0068 0.0058 2791 LEU 80 CD2 0.0113 -0.0042 0.0057 2792 SER 81 N 0.0134 -0.0024 -0.0042 2793 SER 81 CA 0.0141 -0.0019 -0.0062 2794 SER 81 C 0.0161 -0.0002 -0.0053 2795 SER 81 O 0.0162 -0.0001 -0.0055 2796 SER 81 CB 0.0144 -0.0016 -0.0087 2797 SER 81 OG 0.0144 -0.0017 -0.0106 2798 ALA 82 N 0.0169 0.0026 -0.0039 2799 ALA 82 CA 0.0177 0.0038 -0.0033 2800 ALA 82 C 0.0176 0.0038 -0.0019 2801 ALA 82 O 0.0180 0.0044 -0.0012 2802 ALA 82 CB 0.0186 0.0049 -0.0034 2803 LEU 83 N 0.0169 0.0030 -0.0004 2804 LEU 83 CA 0.0168 0.0031 0.0011 2805 LEU 83 C 0.0160 0.0020 0.0010 2806 LEU 83 O 0.0162 0.0024 0.0020 2807 LEU 83 CB 0.0161 0.0023 0.0021 2808 LEU 83 CG 0.0169 0.0034 0.0030 2809 LEU 83 CD1 0.0161 0.0025 0.0042 2810 LEU 83 CD2 0.0177 0.0046 0.0037 2811 SER 84 N 0.0154 0.0011 -0.0000 2812 SER 84 CA 0.0149 0.0004 -0.0003 2813 SER 84 C 0.0155 0.0011 -0.0008 2814 SER 84 O 0.0154 0.0011 -0.0004 2815 SER 84 CB 0.0139 -0.0010 -0.0017 2816 SER 84 OG 0.0137 -0.0013 -0.0014 2817 ASP 85 N 0.0179 0.0030 -0.0021 2818 ASP 85 CA 0.0184 0.0033 -0.0025 2819 ASP 85 C 0.0185 0.0040 -0.0016 2820 ASP 85 O 0.0184 0.0039 -0.0015 2821 ASP 85 CB 0.0193 0.0037 -0.0034 2822 ASP 85 CG 0.0192 0.0030 -0.0045 2823 ASP 85 OD1 0.0187 0.0022 -0.0049 2824 ASP 85 OD2 0.0200 0.0036 -0.0052 2825 LEU 86 N 0.0187 0.0047 -0.0007 2826 LEU 86 CA 0.0189 0.0054 0.0001 2827 LEU 86 C 0.0182 0.0051 0.0010 2828 LEU 86 O 0.0181 0.0053 0.0013 2829 LEU 86 CB 0.0192 0.0062 0.0009 2830 LEU 86 CG 0.0196 0.0072 0.0017 2831 LEU 86 CD1 0.0205 0.0077 0.0012 2832 LEU 86 CD2 0.0198 0.0078 0.0025 2833 HIS 87 N 0.0174 0.0044 0.0013 2834 HIS 87 CA 0.0166 0.0041 0.0022 2835 HIS 87 C 0.0161 0.0032 0.0016 2836 HIS 87 O 0.0159 0.0033 0.0022 2837 HIS 87 CB 0.0157 0.0035 0.0028 2838 HIS 87 CG 0.0159 0.0042 0.0037 2839 HIS 87 ND1 0.0165 0.0047 0.0033 2840 HIS 87 CD2 0.0157 0.0047 0.0050 2841 HIS 87 CE1 0.0166 0.0054 0.0044 2842 HIS 87 NE2 0.0161 0.0053 0.0052 2843 ALA 88 N 0.0165 0.0042 0.0008 2844 ALA 88 CA 0.0163 0.0030 0.0007 2845 ALA 88 C 0.0161 0.0031 0.0009 2846 ALA 88 O 0.0155 0.0022 0.0011 2847 ALA 88 CB 0.0169 0.0020 -0.0002 2848 HIS 89 N 0.0170 0.0038 0.0003 2849 HIS 89 CA 0.0173 0.0040 0.0001 2850 HIS 89 C 0.0170 0.0050 0.0007 2851 HIS 89 O 0.0167 0.0048 0.0008 2852 HIS 89 CB 0.0184 0.0037 -0.0010 2853 HIS 89 CG 0.0185 0.0023 -0.0014 2854 HIS 89 ND1 0.0179 0.0011 -0.0013 2855 HIS 89 CD2 0.0193 0.0023 -0.0021 2856 HIS 89 CE1 0.0183 0.0006 -0.0018 2857 HIS 89 NE2 0.0191 0.0010 -0.0024 2858 LYS 90 N 0.0168 0.0060 0.0012 2859 LYS 90 CA 0.0167 0.0072 0.0016 2860 LYS 90 C 0.0156 0.0075 0.0027 2861 LYS 90 O 0.0148 0.0074 0.0033 2862 LYS 90 CB 0.0176 0.0083 0.0012 2863 LYS 90 CG 0.0170 0.0093 0.0020 2864 LYS 90 CD 0.0182 0.0106 0.0013 2865 LYS 90 CE 0.0177 0.0117 0.0021 2866 LYS 90 NZ 0.0192 0.0120 0.0009 2867 LEU 91 N 0.0116 0.0050 0.0007 2868 LEU 91 CA 0.0114 0.0050 0.0012 2869 LEU 91 C 0.0114 0.0043 0.0019 2870 LEU 91 O 0.0112 0.0044 0.0026 2871 LEU 91 CB 0.0117 0.0049 0.0006 2872 LEU 91 CG 0.0117 0.0055 -0.0001 2873 LEU 91 CD1 0.0120 0.0053 -0.0006 2874 LEU 91 CD2 0.0113 0.0063 0.0003 2875 ARG 92 N 0.0118 0.0036 0.0017 2876 ARG 92 CA 0.0118 0.0029 0.0023 2877 ARG 92 C 0.0117 0.0027 0.0029 2878 ARG 92 O 0.0115 0.0026 0.0036 2879 ARG 92 CB 0.0115 0.0032 0.0028 2880 ARG 92 CG 0.0118 0.0030 0.0024 2881 ARG 92 CD 0.0115 0.0033 0.0027 2882 ARG 92 NE 0.0117 0.0030 0.0025 2883 ARG 92 CZ 0.0110 0.0044 0.0031 2884 ARG 92 NH1 0.0109 0.0051 0.0027 2885 ARG 92 NH2 0.0113 0.0039 0.0028 2886 VAL 93 N 0.0119 0.0026 0.0024 2887 VAL 93 CA 0.0118 0.0024 0.0028 2888 VAL 93 C 0.0121 0.0014 0.0031 2889 VAL 93 O 0.0124 0.0009 0.0026 2890 VAL 93 CB 0.0120 0.0025 0.0021 2891 VAL 93 CG1 0.0120 0.0022 0.0025 2892 VAL 93 CG2 0.0118 0.0034 0.0019 2893 ASP 94 N 0.0108 -0.0016 0.0018 2894 ASP 94 CA 0.0109 -0.0018 0.0019 2895 ASP 94 C 0.0112 -0.0017 0.0017 2896 ASP 94 O 0.0112 -0.0015 0.0015 2897 ASP 94 CB 0.0107 -0.0019 0.0020 2898 ASP 94 CG 0.0108 -0.0021 0.0022 2899 ASP 94 OD1 0.0108 -0.0023 0.0024 2900 ASP 94 OD2 0.0110 -0.0021 0.0021 2901 PRO 95 N 0.0115 -0.0019 0.0018 2902 PRO 95 CA 0.0118 -0.0018 0.0016 2903 PRO 95 C 0.0117 -0.0017 0.0015 2904 PRO 95 O 0.0119 -0.0016 0.0013 2905 PRO 95 CB 0.0120 -0.0021 0.0017 2906 PRO 95 CG 0.0119 -0.0022 0.0019 2907 PRO 95 CD 0.0115 -0.0022 0.0020 2908 VAL 96 N 0.0115 -0.0017 0.0016 2909 VAL 96 CA 0.0115 -0.0016 0.0015 2910 VAL 96 C 0.0114 -0.0013 0.0013 2911 VAL 96 O 0.0115 -0.0012 0.0012 2912 VAL 96 CB 0.0112 -0.0017 0.0017 2913 VAL 96 CG1 0.0113 -0.0020 0.0019 2914 VAL 96 CG2 0.0109 -0.0016 0.0018 2915 ASN 97 N 0.0092 -0.0018 -0.0010 2916 ASN 97 CA 0.0094 -0.0020 -0.0007 2917 ASN 97 C 0.0093 -0.0017 0.0001 2918 ASN 97 O 0.0094 -0.0018 0.0004 2919 ASN 97 CB 0.0098 -0.0027 -0.0008 2920 ASN 97 CG 0.0099 -0.0030 -0.0016 2921 ASN 97 OD1 0.0098 -0.0030 -0.0020 2922 ASN 97 ND2 0.0099 -0.0032 -0.0019 2923 PHE 98 N 0.0093 -0.0016 0.0005 2924 PHE 98 CA 0.0092 -0.0013 0.0013 2925 PHE 98 C 0.0089 -0.0007 0.0014 2926 PHE 98 O 0.0089 -0.0006 0.0020 2927 PHE 98 CB 0.0092 -0.0012 0.0017 2928 PHE 98 CG 0.0096 -0.0019 0.0017 2929 PHE 98 CD1 0.0099 -0.0022 0.0024 2930 PHE 98 CD2 0.0097 -0.0022 0.0011 2931 PHE 98 CE1 0.0103 -0.0028 0.0026 2932 PHE 98 CE2 0.0102 -0.0029 0.0014 2933 PHE 98 CZ 0.0104 -0.0032 0.0020 2934 LYS 99 N 0.0086 -0.0003 0.0008 2935 LYS 99 CA 0.0082 0.0003 0.0008 2936 LYS 99 C 0.0083 0.0002 0.0009 2937 LYS 99 O 0.0081 0.0006 0.0012 2938 LYS 99 CB 0.0078 0.0008 0.0003 2939 LYS 99 CG 0.0078 0.0009 -0.0002 2940 LYS 99 CD 0.0073 0.0015 -0.0008 2941 LYS 99 CE 0.0074 0.0012 -0.0015 2942 LYS 99 NZ 0.0072 0.0013 -0.0024 2943 LEU 100 N 0.0051 0.0003 -0.0032 2944 LEU 100 CA 0.0053 -0.0000 -0.0033 2945 LEU 100 C 0.0051 -0.0003 -0.0032 2946 LEU 100 O 0.0051 -0.0005 -0.0033 2947 LEU 100 CB 0.0055 0.0000 -0.0034 2948 LEU 100 CG 0.0056 0.0003 -0.0035 2949 LEU 100 CD1 0.0058 0.0003 -0.0036 2950 LEU 100 CD2 0.0058 0.0003 -0.0036 2951 LEU 101 N 0.0048 -0.0003 -0.0031 2952 LEU 101 CA 0.0047 -0.0006 -0.0031 2953 LEU 101 C 0.0045 -0.0007 -0.0030 2954 LEU 101 O 0.0045 -0.0009 -0.0030 2955 LEU 101 CB 0.0044 -0.0006 -0.0029 2956 LEU 101 CG 0.0042 -0.0009 -0.0028 2957 LEU 101 CD1 0.0044 -0.0012 -0.0030 2958 LEU 101 CD2 0.0040 -0.0009 -0.0027 2959 SER 102 N 0.0044 -0.0004 -0.0029 2960 SER 102 CA 0.0043 -0.0004 -0.0028 2961 SER 102 C 0.0045 -0.0005 -0.0030 2962 SER 102 O 0.0044 -0.0007 -0.0029 2963 SER 102 CB 0.0042 -0.0000 -0.0027 2964 SER 102 OG 0.0040 0.0001 -0.0026 2965 HIS 103 N 0.0010 0.0015 -0.0025 2966 HIS 103 CA 0.0013 0.0017 -0.0030 2967 HIS 103 C 0.0011 0.0013 -0.0034 2968 HIS 103 O 0.0012 0.0013 -0.0037 2969 HIS 103 CB 0.0015 0.0018 -0.0033 2970 HIS 103 CG 0.0017 0.0019 -0.0038 2971 HIS 103 ND1 0.0016 0.0016 -0.0043 2972 HIS 103 CD2 0.0020 0.0022 -0.0040 2973 HIS 103 CE1 0.0019 0.0018 -0.0048 2974 HIS 103 NE2 0.0022 0.0022 -0.0046 2975 CYS 104 N 0.0007 0.0009 -0.0035 2976 CYS 104 CA 0.0004 0.0005 -0.0038 2977 CYS 104 C 0.0003 0.0004 -0.0037 2978 CYS 104 O 0.0002 0.0002 -0.0041 2979 CYS 104 CB 0.0001 0.0001 -0.0039 2980 CYS 104 SG 0.0003 0.0002 -0.0042 2981 LEU 105 N 0.0002 0.0005 -0.0031 2982 LEU 105 CA 0.0001 0.0004 -0.0030 2983 LEU 105 C 0.0005 0.0007 -0.0032 2984 LEU 105 O 0.0004 0.0006 -0.0034 2985 LEU 105 CB -0.0000 0.0005 -0.0024 2986 LEU 105 CG -0.0003 0.0003 -0.0021 2987 LEU 105 CD1 -0.0008 -0.0003 -0.0021 2988 LEU 105 CD2 -0.0004 0.0004 -0.0014 2989 LEU 106 N -0.0012 -0.0020 0.0005 2990 LEU 106 CA -0.0003 -0.0015 -0.0003 2991 LEU 106 C -0.0006 -0.0011 -0.0013 2992 LEU 106 O -0.0001 -0.0007 -0.0021 2993 LEU 106 CB 0.0008 -0.0016 0.0004 2994 LEU 106 CG 0.0015 -0.0018 0.0013 2995 LEU 106 CD1 0.0021 -0.0019 0.0018 2996 LEU 106 CD2 0.0022 -0.0016 0.0010 2997 VAL 107 N -0.0013 -0.0012 -0.0014 2998 VAL 107 CA -0.0019 -0.0010 -0.0023 2999 VAL 107 C -0.0024 -0.0007 -0.0032 3000 VAL 107 O -0.0021 -0.0002 -0.0042 3001 VAL 107 CB -0.0027 -0.0012 -0.0021 3002 VAL 107 CG1 -0.0033 -0.0008 -0.0032 3003 VAL 107 CG2 -0.0021 -0.0013 -0.0015 3004 THR 108 N -0.0030 -0.0009 -0.0028 3005 THR 108 CA -0.0036 -0.0007 -0.0035 3006 THR 108 C -0.0026 -0.0004 -0.0039 3007 THR 108 O -0.0027 -0.0000 -0.0049 3008 THR 108 CB -0.0044 -0.0012 -0.0027 3009 THR 108 OG1 -0.0051 -0.0015 -0.0023 3010 THR 108 CG2 -0.0050 -0.0010 -0.0034 3011 LEU 109 N -0.0049 -0.0027 0.0004 3012 LEU 109 CA -0.0044 -0.0026 0.0001 3013 LEU 109 C -0.0039 -0.0024 -0.0007 3014 LEU 109 O -0.0037 -0.0023 -0.0013 3015 LEU 109 CB -0.0040 -0.0026 0.0010 3016 LEU 109 CG -0.0045 -0.0027 0.0016 3017 LEU 109 CD1 -0.0040 -0.0027 0.0025 3018 LEU 109 CD2 -0.0051 -0.0028 0.0012 3019 ALA 110 N -0.0033 -0.0023 -0.0005 3020 ALA 110 CA -0.0026 -0.0021 -0.0011 3021 ALA 110 C -0.0031 -0.0022 -0.0020 3022 ALA 110 O -0.0027 -0.0020 -0.0028 3023 ALA 110 CB -0.0023 -0.0021 -0.0007 3024 ALA 111 N -0.0039 -0.0023 -0.0021 3025 ALA 111 CA -0.0045 -0.0024 -0.0029 3026 ALA 111 C -0.0047 -0.0024 -0.0035 3027 ALA 111 O -0.0050 -0.0024 -0.0042 3028 ALA 111 CB -0.0053 -0.0026 -0.0026 3029 HIS 112 N -0.0061 -0.0058 -0.0043 3030 HIS 112 CA -0.0067 -0.0064 -0.0041 3031 HIS 112 C -0.0065 -0.0059 -0.0038 3032 HIS 112 O -0.0070 -0.0064 -0.0038 3033 HIS 112 CB -0.0075 -0.0068 -0.0034 3034 HIS 112 CG -0.0077 -0.0073 -0.0039 3035 HIS 112 ND1 -0.0077 -0.0072 -0.0038 3036 HIS 112 CD2 -0.0081 -0.0082 -0.0044 3037 HIS 112 CE1 -0.0080 -0.0079 -0.0043 3038 HIS 112 NE2 -0.0083 -0.0085 -0.0047 3039 LEU 113 N -0.0062 -0.0053 -0.0034 3040 LEU 113 CA -0.0059 -0.0047 -0.0030 3041 LEU 113 C -0.0050 -0.0041 -0.0036 3042 LEU 113 O -0.0049 -0.0035 -0.0029 3043 LEU 113 CB -0.0061 -0.0043 -0.0021 3044 LEU 113 CG -0.0069 -0.0048 -0.0015 3045 LEU 113 CD1 -0.0067 -0.0039 -0.0005 3046 LEU 113 CD2 -0.0075 -0.0054 -0.0015 3047 PRO 114 N -0.0048 -0.0044 -0.0044 3048 PRO 114 CA -0.0039 -0.0040 -0.0052 3049 PRO 114 C -0.0037 -0.0034 -0.0046 3050 PRO 114 O -0.0034 -0.0026 -0.0040 3051 PRO 114 CB -0.0040 -0.0047 -0.0060 3052 PRO 114 CG -0.0047 -0.0053 -0.0057 3053 PRO 114 CD -0.0053 -0.0054 -0.0048 3054 ALA 115 N -0.0016 -0.0059 -0.0047 3055 ALA 115 CA -0.0009 -0.0057 -0.0044 3056 ALA 115 C -0.0007 -0.0053 -0.0032 3057 ALA 115 O 0.0005 -0.0048 -0.0027 3058 ALA 115 CB -0.0011 -0.0060 -0.0055 3059 GLU 116 N -0.0017 -0.0052 -0.0020 3060 GLU 116 CA -0.0017 -0.0048 -0.0005 3061 GLU 116 C -0.0012 -0.0043 0.0007 3062 GLU 116 O -0.0005 -0.0039 0.0016 3063 GLU 116 CB -0.0034 -0.0051 0.0002 3064 GLU 116 CG -0.0049 -0.0061 -0.0019 3065 GLU 116 CD -0.0047 -0.0060 -0.0018 3066 GLU 116 OE1 -0.0039 -0.0057 -0.0014 3067 GLU 116 OE2 -0.0052 -0.0066 -0.0033 3068 PHE 117 N -0.0011 -0.0044 0.0003 3069 PHE 117 CA -0.0003 -0.0039 0.0013 3070 PHE 117 C 0.0014 -0.0035 0.0012 3071 PHE 117 O 0.0019 -0.0034 0.0008 3072 PHE 117 CB -0.0010 -0.0042 0.0011 3073 PHE 117 CG -0.0011 -0.0039 0.0022 3074 PHE 117 CD1 -0.0019 -0.0037 0.0036 3075 PHE 117 CD2 -0.0001 -0.0036 0.0022 3076 PHE 117 CE1 -0.0018 -0.0033 0.0049 3077 PHE 117 CE2 0.0001 -0.0032 0.0034 3078 PHE 117 CZ -0.0009 -0.0032 0.0046 3079 THR 118 N 0.0031 -0.0055 0.0064 3080 THR 118 CA 0.0046 -0.0064 0.0067 3081 THR 118 C 0.0052 -0.0064 0.0085 3082 THR 118 O 0.0041 -0.0056 0.0093 3083 THR 118 CB 0.0051 -0.0068 0.0057 3084 THR 118 OG1 0.0047 -0.0069 0.0040 3085 THR 118 CG2 0.0049 -0.0066 0.0059 3086 PRO 119 N 0.0063 -0.0069 0.0088 3087 PRO 119 CA 0.0069 -0.0070 0.0105 3088 PRO 119 C 0.0064 -0.0067 0.0108 3089 PRO 119 O 0.0061 -0.0062 0.0121 3090 PRO 119 CB 0.0084 -0.0078 0.0107 3091 PRO 119 CG 0.0086 -0.0082 0.0095 3092 PRO 119 CD 0.0074 -0.0078 0.0080 3093 ALA 120 N 0.0068 -0.0071 0.0097 3094 ALA 120 CA 0.0065 -0.0069 0.0100 3095 ALA 120 C 0.0049 -0.0059 0.0101 3096 ALA 120 O 0.0046 -0.0055 0.0111 3097 ALA 120 CB 0.0070 -0.0074 0.0087 3098 VAL 121 N 0.0033 -0.0059 0.0092 3099 VAL 121 CA 0.0034 -0.0068 0.0094 3100 VAL 121 C 0.0041 -0.0066 0.0085 3101 VAL 121 O 0.0040 -0.0065 0.0086 3102 VAL 121 CB 0.0034 -0.0078 0.0098 3103 VAL 121 CG1 0.0037 -0.0086 0.0098 3104 VAL 121 CG2 0.0026 -0.0078 0.0107 3105 HIS 122 N 0.0047 -0.0065 0.0078 3106 HIS 122 CA 0.0055 -0.0063 0.0069 3107 HIS 122 C 0.0052 -0.0053 0.0068 3108 HIS 122 O 0.0054 -0.0054 0.0066 3109 HIS 122 CB 0.0060 -0.0063 0.0064 3110 HIS 122 CG 0.0067 -0.0061 0.0055 3111 HIS 122 ND1 0.0073 -0.0062 0.0048 3112 HIS 122 CD2 0.0070 -0.0059 0.0051 3113 HIS 122 CE1 0.0079 -0.0059 0.0041 3114 HIS 122 NE2 0.0078 -0.0059 0.0042 3115 ALA 123 N 0.0047 -0.0044 0.0070 3116 ALA 123 CA 0.0045 -0.0034 0.0068 3117 ALA 123 C 0.0040 -0.0035 0.0074 3118 ALA 123 O 0.0042 -0.0033 0.0071 3119 ALA 123 CB 0.0040 -0.0025 0.0070 3120 SER 124 N 0.0011 -0.0030 0.0079 3121 SER 124 CA 0.0006 -0.0029 0.0083 3122 SER 124 C 0.0019 -0.0038 0.0079 3123 SER 124 O 0.0017 -0.0032 0.0076 3124 SER 124 CB -0.0004 -0.0039 0.0097 3125 SER 124 OG -0.0017 -0.0033 0.0101 3126 LEU 125 N 0.0027 -0.0049 0.0081 3127 LEU 125 CA 0.0039 -0.0056 0.0077 3128 LEU 125 C 0.0048 -0.0048 0.0065 3129 LEU 125 O 0.0052 -0.0045 0.0060 3130 LEU 125 CB 0.0048 -0.0069 0.0080 3131 LEU 125 CG 0.0043 -0.0082 0.0094 3132 LEU 125 CD1 0.0051 -0.0093 0.0096 3133 LEU 125 CD2 0.0041 -0.0085 0.0097 3134 ASP 126 N 0.0050 -0.0039 0.0057 3135 ASP 126 CA 0.0058 -0.0029 0.0044 3136 ASP 126 C 0.0050 -0.0019 0.0042 3137 ASP 126 O 0.0056 -0.0014 0.0035 3138 ASP 126 CB 0.0061 -0.0025 0.0039 3139 ASP 126 CG 0.0074 -0.0017 0.0024 3140 ASP 126 OD1 0.0082 -0.0024 0.0023 3141 ASP 126 OD2 0.0070 -0.0005 0.0018 3142 LYS 127 N 0.0044 -0.0027 0.0048 3143 LYS 127 CA 0.0037 -0.0018 0.0047 3144 LYS 127 C 0.0035 -0.0021 0.0049 3145 LYS 127 O 0.0034 -0.0012 0.0046 3146 LYS 127 CB 0.0027 -0.0016 0.0050 3147 LYS 127 CG 0.0029 -0.0012 0.0048 3148 LYS 127 CD 0.0018 -0.0010 0.0051 3149 LYS 127 CE 0.0010 -0.0002 0.0051 3150 LYS 127 NZ 0.0001 0.0001 0.0054 3151 PHE 128 N 0.0033 -0.0029 0.0053 3152 PHE 128 CA 0.0030 -0.0031 0.0055 3153 PHE 128 C 0.0040 -0.0031 0.0051 3154 PHE 128 O 0.0037 -0.0026 0.0050 3155 PHE 128 CB 0.0026 -0.0042 0.0060 3156 PHE 128 CG 0.0026 -0.0047 0.0062 3157 PHE 128 CD1 0.0017 -0.0042 0.0064 3158 PHE 128 CD2 0.0033 -0.0054 0.0062 3159 PHE 128 CE1 0.0018 -0.0048 0.0065 3160 PHE 128 CE2 0.0033 -0.0057 0.0063 3161 PHE 128 CZ 0.0025 -0.0055 0.0065 3162 LEU 129 N 0.0048 -0.0036 0.0049 3163 LEU 129 CA 0.0057 -0.0035 0.0046 3164 LEU 129 C 0.0060 -0.0024 0.0040 3165 LEU 129 O 0.0062 -0.0020 0.0038 3166 LEU 129 CB 0.0067 -0.0040 0.0044 3167 LEU 129 CG 0.0065 -0.0051 0.0049 3168 LEU 129 CD1 0.0073 -0.0058 0.0048 3169 LEU 129 CD2 0.0065 -0.0056 0.0050 3170 ALA 130 N 0.0064 -0.0034 0.0035 3171 ALA 130 CA 0.0062 -0.0030 0.0027 3172 ALA 130 C 0.0062 -0.0030 0.0027 3173 ALA 130 O 0.0065 -0.0030 0.0021 3174 ALA 130 CB 0.0056 -0.0024 0.0024 3175 SER 131 N 0.0059 -0.0030 0.0035 3176 SER 131 CA 0.0058 -0.0029 0.0036 3177 SER 131 C 0.0066 -0.0037 0.0038 3178 SER 131 O 0.0067 -0.0036 0.0033 3179 SER 131 CB 0.0053 -0.0028 0.0046 3180 SER 131 OG 0.0046 -0.0022 0.0044 3181 VAL 132 N 0.0070 -0.0041 0.0042 3182 VAL 132 CA 0.0077 -0.0047 0.0042 3183 VAL 132 C 0.0081 -0.0048 0.0032 3184 VAL 132 O 0.0086 -0.0050 0.0029 3185 VAL 132 CB 0.0080 -0.0052 0.0047 3186 VAL 132 CG1 0.0089 -0.0058 0.0045 3187 VAL 132 CG2 0.0077 -0.0053 0.0058 3188 SER 133 N 0.0093 -0.0042 0.0027 3189 SER 133 CA 0.0091 -0.0044 0.0026 3190 SER 133 C 0.0091 -0.0048 0.0019 3191 SER 133 O 0.0094 -0.0048 0.0016 3192 SER 133 CB 0.0084 -0.0045 0.0029 3193 SER 133 OG 0.0086 -0.0040 0.0035 3194 THR 134 N 0.0088 -0.0051 0.0017 3195 THR 134 CA 0.0088 -0.0055 0.0010 3196 THR 134 C 0.0095 -0.0055 0.0006 3197 THR 134 O 0.0097 -0.0057 0.0001 3198 THR 134 CB 0.0084 -0.0058 0.0009 3199 THR 134 OG1 0.0078 -0.0060 0.0012 3200 THR 134 CG2 0.0084 -0.0063 0.0002 3201 VAL 135 N 0.0099 -0.0052 0.0008 3202 VAL 135 CA 0.0105 -0.0051 0.0004 3203 VAL 135 C 0.0109 -0.0049 0.0003 3204 VAL 135 O 0.0113 -0.0050 -0.0001 3205 VAL 135 CB 0.0109 -0.0047 0.0006 3206 VAL 135 CG1 0.0117 -0.0046 0.0003 3207 VAL 135 CG2 0.0106 -0.0050 0.0005 3208 LEU 136 N 0.0116 -0.0032 0.0016 3209 LEU 136 CA 0.0122 -0.0025 0.0017 3210 LEU 136 C 0.0123 -0.0024 0.0015 3211 LEU 136 O 0.0128 -0.0018 0.0015 3212 LEU 136 CB 0.0124 -0.0025 0.0026 3213 LEU 136 CG 0.0124 -0.0026 0.0027 3214 LEU 136 CD1 0.0128 -0.0023 0.0035 3215 LEU 136 CD2 0.0128 -0.0021 0.0022 3216 THR 137 N 0.0118 -0.0029 0.0015 3217 THR 137 CA 0.0120 -0.0028 0.0015 3218 THR 137 C 0.0117 -0.0029 0.0005 3219 THR 137 O 0.0117 -0.0028 0.0004 3220 THR 137 CB 0.0117 -0.0032 0.0021 3221 THR 137 OG1 0.0112 -0.0037 0.0020 3222 THR 137 CG2 0.0121 -0.0029 0.0029 3223 SER 138 N 0.0114 -0.0030 0.0000 3224 SER 138 CA 0.0111 -0.0032 -0.0008 3225 SER 138 C 0.0115 -0.0026 -0.0013 3226 SER 138 O 0.0112 -0.0029 -0.0019 3227 SER 138 CB 0.0111 -0.0031 -0.0012 3228 SER 138 OG 0.0107 -0.0036 -0.0011 3229 LYS 139 N 0.0121 -0.0001 -0.0002 3230 LYS 139 CA 0.0121 0.0003 -0.0004 3231 LYS 139 C 0.0120 0.0006 0.0004 3232 LYS 139 O 0.0120 0.0011 0.0004 3233 LYS 139 CB 0.0121 0.0009 -0.0008 3234 LYS 139 CG 0.0121 0.0005 -0.0017 3235 LYS 139 CD 0.0121 0.0011 -0.0021 3236 LYS 139 CE 0.0122 0.0007 -0.0031 3237 LYS 139 NZ 0.0122 0.0015 -0.0031 3238 TYR 140 N 0.0120 0.0003 0.0010 3239 TYR 140 CA 0.0119 0.0006 0.0017 3240 TYR 140 C 0.0119 0.0005 0.0019 3241 TYR 140 O 0.0118 0.0011 0.0023 3242 TYR 140 CB 0.0119 0.0002 0.0024 3243 TYR 140 CG 0.0118 0.0007 0.0026 3244 TYR 140 CD1 0.0118 0.0008 0.0033 3245 TYR 140 CD2 0.0118 0.0009 0.0021 3246 TYR 140 CE1 0.0117 0.0012 0.0034 3247 TYR 140 CE2 0.0118 0.0013 0.0022 3248 TYR 140 CZ 0.0118 0.0014 0.0029 3249 TYR 140 OH 0.0117 0.0018 0.0032 3250 ARG 141 N 0.0119 -0.0001 0.0016 3251 ARG 141 CA 0.0119 -0.0003 0.0018 3252 ARG 141 C 0.0120 -0.0007 0.0011 3253 ARG 141 O 0.0120 -0.0010 0.0008 3254 ARG 141 CB 0.0119 -0.0005 0.0026 3255 ARG 141 CG 0.0119 -0.0013 0.0027 3256 ARG 141 CD 0.0119 -0.0015 0.0036 3257 ARG 141 NE 0.0119 -0.0022 0.0037 3258 ARG 141 CZ 0.0119 -0.0027 0.0042 3259 ARG 141 NH1 0.0118 -0.0025 0.0048 3260 ARG 141 NH2 0.0119 -0.0033 0.0042 3261 ARG 141 OXT 0.0120 -0.0008 0.0012 3262 VAL 1 N 0.0164 0.0251 0.0005 3263 VAL 1 CA 0.0112 0.0285 -0.0006 3264 VAL 1 C 0.0139 0.0267 -0.0001 3265 VAL 1 O 0.0164 0.0217 -0.0000 3266 VAL 1 CB 0.0051 0.0254 -0.0029 3267 VAL 1 CG1 0.0015 0.0277 -0.0037 3268 VAL 1 CG2 0.0052 0.0205 -0.0036 3269 HIS 2 N 0.0098 0.0291 -0.0010 3270 HIS 2 CA 0.0093 0.0283 -0.0012 3271 HIS 2 C 0.0059 0.0236 -0.0029 3272 HIS 2 O 0.0011 0.0277 -0.0038 3273 HIS 2 CB 0.0143 0.0350 0.0012 3274 HIS 2 CG 0.0159 0.0334 0.0015 3275 HIS 2 ND1 0.0077 0.0363 -0.0006 3276 HIS 2 CD2 0.0191 0.0293 0.0019 3277 HIS 2 CE1 0.0076 0.0325 -0.0012 3278 HIS 2 NE2 0.0144 0.0291 0.0004 3279 LEU 3 N 0.0089 0.0188 -0.0027 3280 LEU 3 CA 0.0046 0.0152 -0.0045 3281 LEU 3 C 0.0060 0.0172 -0.0038 3282 LEU 3 O 0.0113 0.0121 -0.0029 3283 LEU 3 CB 0.0038 0.0090 -0.0056 3284 LEU 3 CG 0.0007 0.0106 -0.0063 3285 LEU 3 CD1 -0.0008 0.0048 -0.0076 3286 LEU 3 CD2 -0.0047 0.0119 -0.0078 3287 THR 4 N 0.0009 0.0122 -0.0096 3288 THR 4 CA 0.0011 0.0074 -0.0112 3289 THR 4 C 0.0031 0.0029 -0.0141 3290 THR 4 O 0.0018 0.0052 -0.0124 3291 THR 4 CB -0.0041 0.0035 -0.0085 3292 THR 4 OG1 -0.0068 0.0016 -0.0070 3293 THR 4 CG2 -0.0053 0.0063 -0.0067 3294 PRO 5 N 0.0050 0.0000 -0.0164 3295 PRO 5 CA 0.0063 -0.0023 -0.0181 3296 PRO 5 C 0.0023 -0.0063 -0.0163 3297 PRO 5 O 0.0017 -0.0075 -0.0162 3298 PRO 5 CB 0.0077 -0.0097 -0.0214 3299 PRO 5 CG 0.0087 -0.0081 -0.0216 3300 PRO 5 CD 0.0080 -0.0019 -0.0193 3301 GLU 6 N -0.0019 -0.0075 -0.0135 3302 GLU 6 CA -0.0054 -0.0113 -0.0120 3303 GLU 6 C -0.0090 -0.0048 -0.0073 3304 GLU 6 O -0.0100 -0.0071 -0.0073 3305 GLU 6 CB -0.0108 -0.0134 -0.0086 3306 GLU 6 CG -0.0107 -0.0127 -0.0085 3307 GLU 6 CD -0.0067 -0.0153 -0.0123 3308 GLU 6 OE1 -0.0038 -0.0130 -0.0138 3309 GLU 6 OE2 -0.0039 -0.0048 -0.0112 3310 GLU 7 N -0.0069 0.0016 -0.0073 3311 GLU 7 CA -0.0082 0.0036 -0.0065 3312 GLU 7 C -0.0064 0.0035 -0.0073 3313 GLU 7 O -0.0079 0.0032 -0.0066 3314 GLU 7 CB -0.0077 0.0065 -0.0064 3315 GLU 7 CG -0.0100 0.0066 -0.0054 3316 GLU 7 CD -0.0091 0.0089 -0.0055 3317 GLU 7 OE1 -0.0116 0.0098 -0.0044 3318 GLU 7 OE2 -0.0074 0.0110 -0.0061 3319 LYS 8 N -0.0043 0.0036 -0.0082 3320 LYS 8 CA -0.0028 0.0038 -0.0088 3321 LYS 8 C -0.0030 0.0015 -0.0090 3322 LYS 8 O -0.0038 0.0010 -0.0086 3323 LYS 8 CB 0.0003 0.0039 -0.0102 3324 LYS 8 CG 0.0011 0.0047 -0.0104 3325 LYS 8 CD 0.0033 0.0055 -0.0113 3326 LYS 8 CE 0.0048 0.0049 -0.0120 3327 LYS 8 NZ 0.0081 0.0066 -0.0132 3328 SER 9 N -0.0034 -0.0009 -0.0090 3329 SER 9 CA -0.0042 -0.0031 -0.0089 3330 SER 9 C -0.0068 -0.0033 -0.0078 3331 SER 9 O -0.0070 -0.0048 -0.0079 3332 SER 9 CB -0.0033 -0.0055 -0.0096 3333 SER 9 OG -0.0042 -0.0075 -0.0094 3334 ALA 10 N -0.0078 0.0006 -0.0035 3335 ALA 10 CA -0.0090 0.0004 -0.0021 3336 ALA 10 C -0.0104 0.0018 -0.0023 3337 ALA 10 O -0.0114 0.0016 -0.0012 3338 ALA 10 CB -0.0091 0.0009 -0.0026 3339 VAL 11 N -0.0103 0.0028 -0.0035 3340 VAL 11 CA -0.0116 0.0041 -0.0036 3341 VAL 11 C -0.0119 0.0040 -0.0032 3342 VAL 11 O -0.0131 0.0042 -0.0024 3343 VAL 11 CB -0.0112 0.0051 -0.0051 3344 VAL 11 CG1 -0.0121 0.0061 -0.0053 3345 VAL 11 CG2 -0.0113 0.0055 -0.0054 3346 THR 12 N -0.0107 0.0034 -0.0037 3347 THR 12 CA -0.0110 0.0033 -0.0034 3348 THR 12 C -0.0114 0.0025 -0.0021 3349 THR 12 O -0.0125 0.0026 -0.0012 3350 THR 12 CB -0.0092 0.0026 -0.0043 3351 THR 12 OG1 -0.0094 0.0039 -0.0056 3352 THR 12 CG2 -0.0095 0.0022 -0.0036 3353 ALA 13 N -0.0150 0.0031 0.0018 3354 ALA 13 CA -0.0147 0.0036 0.0021 3355 ALA 13 C -0.0146 0.0034 0.0019 3356 ALA 13 O -0.0148 0.0035 0.0021 3357 ALA 13 CB -0.0142 0.0040 0.0022 3358 LEU 14 N -0.0143 0.0031 0.0011 3359 LEU 14 CA -0.0142 0.0029 0.0008 3360 LEU 14 C -0.0149 0.0024 0.0008 3361 LEU 14 O -0.0149 0.0024 0.0009 3362 LEU 14 CB -0.0137 0.0027 0.0001 3363 LEU 14 CG -0.0134 0.0025 -0.0003 3364 LEU 14 CD1 -0.0128 0.0031 -0.0002 3365 LEU 14 CD2 -0.0132 0.0022 -0.0010 3366 TRP 15 N -0.0153 0.0021 0.0008 3367 TRP 15 CA -0.0159 0.0016 0.0007 3368 TRP 15 C -0.0164 0.0018 0.0014 3369 TRP 15 O -0.0167 0.0016 0.0014 3370 TRP 15 CB -0.0163 0.0012 0.0006 3371 TRP 15 CG -0.0169 0.0006 0.0004 3372 TRP 15 CD1 -0.0175 0.0004 0.0007 3373 TRP 15 CD2 -0.0167 0.0002 -0.0003 3374 TRP 15 NE1 -0.0179 -0.0001 0.0003 3375 TRP 15 CE2 -0.0174 -0.0004 -0.0003 3376 TRP 15 CE3 -0.0161 0.0001 -0.0009 3377 TRP 15 CZ2 -0.0174 -0.0008 -0.0009 3378 TRP 15 CZ3 -0.0162 -0.0004 -0.0015 3379 TRP 15 CH2 -0.0169 -0.0008 -0.0014 3380 GLY 16 N -0.0196 0.0033 0.0023 3381 GLY 16 CA -0.0200 0.0042 0.0027 3382 GLY 16 C -0.0193 0.0047 0.0028 3383 GLY 16 O -0.0196 0.0053 0.0031 3384 LYS 17 N -0.0182 0.0047 0.0027 3385 LYS 17 CA -0.0173 0.0051 0.0027 3386 LYS 17 C -0.0170 0.0048 0.0025 3387 LYS 17 O -0.0163 0.0046 0.0024 3388 LYS 17 CB -0.0163 0.0053 0.0026 3389 LYS 17 CG -0.0166 0.0059 0.0029 3390 LYS 17 CD -0.0155 0.0060 0.0028 3391 LYS 17 CE -0.0151 0.0060 0.0027 3392 LYS 17 NZ -0.0139 0.0070 0.0029 3393 VAL 18 N -0.0174 0.0036 0.0022 3394 VAL 18 CA -0.0171 0.0028 0.0018 3395 VAL 18 C -0.0177 0.0032 0.0020 3396 VAL 18 O -0.0186 0.0032 0.0022 3397 VAL 18 CB -0.0173 0.0019 0.0015 3398 VAL 18 CG1 -0.0173 0.0011 0.0012 3399 VAL 18 CG2 -0.0166 0.0014 0.0013 3400 ASN 19 N -0.0159 0.0068 0.0032 3401 ASN 19 CA -0.0156 0.0076 0.0032 3402 ASN 19 C -0.0160 0.0058 0.0033 3403 ASN 19 O -0.0134 0.0044 0.0043 3404 ASN 19 CB -0.0134 0.0100 0.0037 3405 ASN 19 CG -0.0145 0.0124 0.0031 3406 ASN 19 OD1 -0.0136 0.0108 0.0035 3407 ASN 19 ND2 -0.0114 0.0142 0.0039 3408 VAL 20 N -0.0178 0.0050 0.0028 3409 VAL 20 CA -0.0177 0.0023 0.0031 3410 VAL 20 C -0.0157 0.0020 0.0038 3411 VAL 20 O -0.0142 0.0002 0.0045 3412 VAL 20 CB -0.0218 0.0007 0.0019 3413 VAL 20 CG1 -0.0224 0.0009 0.0017 3414 VAL 20 CG2 -0.0206 0.0005 0.0023 3415 ASP 21 N -0.0155 0.0046 0.0036 3416 ASP 21 CA -0.0126 0.0052 0.0045 3417 ASP 21 C -0.0106 0.0051 0.0052 3418 ASP 21 O -0.0088 0.0028 0.0060 3419 ASP 21 CB -0.0128 0.0083 0.0041 3420 ASP 21 CG -0.0162 0.0091 0.0029 3421 ASP 21 OD1 -0.0184 0.0069 0.0023 3422 ASP 21 OD2 -0.0158 0.0109 0.0028 3423 GLU 22 N -0.0078 0.0061 0.0032 3424 GLU 22 CA -0.0054 0.0061 0.0036 3425 GLU 22 C -0.0054 0.0028 0.0043 3426 GLU 22 O -0.0034 0.0020 0.0048 3427 GLU 22 CB -0.0053 0.0084 0.0031 3428 GLU 22 CG -0.0049 0.0079 0.0032 3429 GLU 22 CD -0.0024 0.0103 0.0031 3430 GLU 22 OE1 -0.0040 0.0113 0.0026 3431 GLU 22 OE2 -0.0014 0.0117 0.0029 3432 VAL 23 N -0.0072 0.0026 0.0041 3433 VAL 23 CA -0.0074 0.0001 0.0047 3434 VAL 23 C -0.0074 -0.0022 0.0052 3435 VAL 23 O -0.0061 -0.0040 0.0058 3436 VAL 23 CB -0.0099 -0.0001 0.0043 3437 VAL 23 CG1 -0.0102 -0.0025 0.0048 3438 VAL 23 CG2 -0.0090 0.0020 0.0040 3439 GLY 24 N -0.0087 -0.0022 0.0050 3440 GLY 24 CA -0.0089 -0.0041 0.0054 3441 GLY 24 C -0.0064 -0.0045 0.0059 3442 GLY 24 O -0.0051 -0.0066 0.0066 3443 GLY 25 N -0.0004 -0.0062 0.0074 3444 GLY 25 CA -0.0002 -0.0066 0.0069 3445 GLY 25 C 0.0008 -0.0065 0.0063 3446 GLY 25 O 0.0010 -0.0071 0.0055 3447 GLU 26 N 0.0015 -0.0057 0.0066 3448 GLU 26 CA 0.0025 -0.0056 0.0061 3449 GLU 26 C 0.0028 -0.0062 0.0052 3450 GLU 26 O 0.0033 -0.0065 0.0045 3451 GLU 26 CB 0.0033 -0.0046 0.0065 3452 GLU 26 CG 0.0040 -0.0043 0.0065 3453 GLU 26 CD 0.0045 -0.0045 0.0059 3454 GLU 26 OE1 0.0054 -0.0043 0.0055 3455 GLU 26 OE2 0.0049 -0.0034 0.0068 3456 ALA 27 N 0.0024 -0.0061 0.0055 3457 ALA 27 CA 0.0026 -0.0066 0.0049 3458 ALA 27 C 0.0022 -0.0075 0.0042 3459 ALA 27 O 0.0027 -0.0079 0.0034 3460 ALA 27 CB 0.0023 -0.0064 0.0053 3461 LEU 28 N 0.0045 -0.0071 0.0076 3462 LEU 28 CA 0.0047 -0.0079 0.0077 3463 LEU 28 C 0.0055 -0.0080 0.0074 3464 LEU 28 O 0.0059 -0.0087 0.0074 3465 LEU 28 CB 0.0045 -0.0080 0.0079 3466 LEU 28 CG 0.0047 -0.0090 0.0081 3467 LEU 28 CD1 0.0043 -0.0095 0.0084 3468 LEU 28 CD2 0.0045 -0.0090 0.0082 3469 GLY 29 N 0.0060 -0.0075 0.0070 3470 GLY 29 CA 0.0068 -0.0075 0.0066 3471 GLY 29 C 0.0071 -0.0077 0.0065 3472 GLY 29 O 0.0077 -0.0082 0.0064 3473 ARG 30 N 0.0067 -0.0072 0.0065 3474 ARG 30 CA 0.0070 -0.0073 0.0064 3475 ARG 30 C 0.0068 -0.0080 0.0068 3476 ARG 30 O 0.0073 -0.0084 0.0066 3477 ARG 30 CB 0.0066 -0.0065 0.0063 3478 ARG 30 CG 0.0070 -0.0057 0.0059 3479 ARG 30 CD 0.0066 -0.0050 0.0059 3480 ARG 30 NE 0.0069 -0.0044 0.0056 3481 ARG 30 CZ 0.0074 -0.0040 0.0052 3482 ARG 30 NH1 0.0076 -0.0033 0.0049 3483 ARG 30 NH2 0.0076 -0.0042 0.0052 3484 LEU 31 N 0.0095 -0.0051 0.0059 3485 LEU 31 CA 0.0095 -0.0048 0.0053 3486 LEU 31 C 0.0090 -0.0043 0.0053 3487 LEU 31 O 0.0090 -0.0042 0.0051 3488 LEU 31 CB 0.0097 -0.0046 0.0046 3489 LEU 31 CG 0.0097 -0.0043 0.0038 3490 LEU 31 CD1 0.0103 -0.0047 0.0035 3491 LEU 31 CD2 0.0096 -0.0040 0.0033 3492 LEU 32 N 0.0085 -0.0040 0.0056 3493 LEU 32 CA 0.0079 -0.0035 0.0056 3494 LEU 32 C 0.0078 -0.0036 0.0062 3495 LEU 32 O 0.0074 -0.0032 0.0061 3496 LEU 32 CB 0.0075 -0.0032 0.0058 3497 LEU 32 CG 0.0075 -0.0029 0.0051 3498 LEU 32 CD1 0.0070 -0.0026 0.0055 3499 LEU 32 CD2 0.0075 -0.0026 0.0045 3500 VAL 33 N 0.0080 -0.0041 0.0067 3501 VAL 33 CA 0.0079 -0.0043 0.0073 3502 VAL 33 C 0.0083 -0.0044 0.0070 3503 VAL 33 O 0.0081 -0.0043 0.0071 3504 VAL 33 CB 0.0080 -0.0047 0.0080 3505 VAL 33 CG1 0.0080 -0.0048 0.0085 3506 VAL 33 CG2 0.0075 -0.0043 0.0083 3507 VAL 34 N 0.0103 -0.0028 0.0031 3508 VAL 34 CA 0.0102 -0.0022 0.0030 3509 VAL 34 C 0.0102 -0.0017 0.0030 3510 VAL 34 O 0.0100 -0.0012 0.0029 3511 VAL 34 CB 0.0105 -0.0022 0.0031 3512 VAL 34 CG1 0.0104 -0.0016 0.0031 3513 VAL 34 CG2 0.0103 -0.0027 0.0030 3514 TYR 35 N 0.0107 -0.0017 0.0032 3515 TYR 35 CA 0.0108 -0.0011 0.0033 3516 TYR 35 C 0.0108 -0.0014 0.0033 3517 TYR 35 O 0.0113 -0.0015 0.0036 3518 TYR 35 CB 0.0114 -0.0009 0.0036 3519 TYR 35 CG 0.0115 -0.0008 0.0037 3520 TYR 35 CD1 0.0112 -0.0003 0.0035 3521 TYR 35 CD2 0.0117 -0.0011 0.0038 3522 TYR 35 CE1 0.0112 -0.0000 0.0035 3523 TYR 35 CE2 0.0118 -0.0009 0.0038 3524 TYR 35 CZ 0.0115 -0.0004 0.0037 3525 TYR 35 OH 0.0115 -0.0003 0.0037 3526 PRO 36 N 0.0104 -0.0015 0.0031 3527 PRO 36 CA 0.0103 -0.0019 0.0031 3528 PRO 36 C 0.0106 -0.0016 0.0032 3529 PRO 36 O 0.0108 -0.0019 0.0033 3530 PRO 36 CB 0.0097 -0.0020 0.0027 3531 PRO 36 CG 0.0095 -0.0015 0.0026 3532 PRO 36 CD 0.0099 -0.0014 0.0028 3533 TRP 37 N 0.0117 -0.0005 0.0021 3534 TRP 37 CA 0.0114 -0.0004 0.0017 3535 TRP 37 C 0.0113 -0.0004 0.0018 3536 TRP 37 O 0.0109 -0.0004 0.0016 3537 TRP 37 CB 0.0118 -0.0004 0.0011 3538 TRP 37 CG 0.0125 -0.0004 0.0012 3539 TRP 37 CD1 0.0127 -0.0004 0.0011 3540 TRP 37 CD2 0.0130 -0.0004 0.0013 3541 TRP 37 NE1 0.0133 -0.0004 0.0011 3542 TRP 37 CE2 0.0135 -0.0004 0.0013 3543 TRP 37 CE3 0.0130 -0.0004 0.0014 3544 TRP 37 CZ2 0.0141 -0.0004 0.0014 3545 TRP 37 CZ3 0.0136 -0.0005 0.0016 3546 TRP 37 CH2 0.0141 -0.0005 0.0015 3547 THR 38 N 0.0116 -0.0005 0.0023 3548 THR 38 CA 0.0115 -0.0005 0.0026 3549 THR 38 C 0.0108 -0.0005 0.0028 3550 THR 38 O 0.0107 -0.0005 0.0029 3551 THR 38 CB 0.0120 -0.0006 0.0031 3552 THR 38 OG1 0.0120 -0.0006 0.0036 3553 THR 38 CG2 0.0126 -0.0005 0.0027 3554 GLN 39 N 0.0106 -0.0005 0.0030 3555 GLN 39 CA 0.0100 -0.0005 0.0033 3556 GLN 39 C 0.0095 -0.0005 0.0028 3557 GLN 39 O 0.0090 -0.0005 0.0029 3558 GLN 39 CB 0.0098 -0.0005 0.0033 3559 GLN 39 CG 0.0102 -0.0006 0.0038 3560 GLN 39 CD 0.0100 -0.0006 0.0040 3561 GLN 39 OE1 0.0094 -0.0006 0.0037 3562 GLN 39 NE2 0.0104 -0.0006 0.0043 3563 ARG 40 N 0.0083 -0.0037 0.0049 3564 ARG 40 CA 0.0073 -0.0030 0.0030 3565 ARG 40 C 0.0066 -0.0026 0.0029 3566 ARG 40 O 0.0049 -0.0017 0.0017 3567 ARG 40 CB 0.0086 -0.0035 0.0011 3568 ARG 40 CG 0.0097 -0.0040 0.0001 3569 ARG 40 CD 0.0107 -0.0044 -0.0017 3570 ARG 40 NE 0.0099 -0.0039 -0.0032 3571 ARG 40 CZ 0.0087 -0.0032 -0.0047 3572 ARG 40 NH1 0.0094 -0.0035 -0.0051 3573 ARG 40 NH2 0.0081 -0.0028 -0.0062 3574 PHE 41 N 0.0074 -0.0031 0.0035 3575 PHE 41 CA 0.0068 -0.0027 0.0031 3576 PHE 41 C 0.0052 -0.0021 0.0051 3577 PHE 41 O 0.0050 -0.0019 0.0046 3578 PHE 41 CB 0.0084 -0.0035 0.0028 3579 PHE 41 CG 0.0098 -0.0042 0.0009 3580 PHE 41 CD1 0.0115 -0.0050 0.0015 3581 PHE 41 CD2 0.0094 -0.0038 -0.0010 3582 PHE 41 CE1 0.0124 -0.0054 -0.0005 3583 PHE 41 CE2 0.0104 -0.0042 -0.0029 3584 PHE 41 CZ 0.0121 -0.0051 -0.0022 3585 PHE 42 N 0.0051 -0.0021 0.0065 3586 PHE 42 CA 0.0044 -0.0019 0.0084 3587 PHE 42 C 0.0026 -0.0010 0.0092 3588 PHE 42 O 0.0021 -0.0009 0.0111 3589 PHE 42 CB 0.0056 -0.0026 0.0101 3590 PHE 42 CG 0.0071 -0.0034 0.0094 3591 PHE 42 CD1 0.0092 -0.0044 0.0089 3592 PHE 42 CD2 0.0070 -0.0033 0.0094 3593 PHE 42 CE1 0.0105 -0.0050 0.0084 3594 PHE 42 CE2 0.0084 -0.0039 0.0087 3595 PHE 42 CZ 0.0103 -0.0049 0.0082 3596 GLU 43 N 0.0012 -0.0009 0.0088 3597 GLU 43 CA -0.0007 -0.0004 0.0095 3598 GLU 43 C -0.0027 -0.0003 0.0108 3599 GLU 43 O -0.0037 -0.0002 0.0115 3600 GLU 43 CB -0.0016 0.0004 0.0083 3601 GLU 43 CG -0.0019 0.0009 0.0074 3602 GLU 43 CD -0.0011 0.0010 0.0065 3603 GLU 43 OE1 -0.0021 0.0008 0.0078 3604 GLU 43 OE2 -0.0010 0.0016 0.0049 3605 SER 44 N -0.0020 -0.0004 0.0105 3606 SER 44 CA -0.0031 -0.0004 0.0114 3607 SER 44 C -0.0028 -0.0012 0.0131 3608 SER 44 O -0.0034 -0.0015 0.0144 3609 SER 44 CB -0.0026 -0.0003 0.0108 3610 SER 44 OG -0.0012 -0.0009 0.0110 3611 PHE 45 N -0.0015 -0.0021 0.0140 3612 PHE 45 CA -0.0009 -0.0031 0.0159 3613 PHE 45 C -0.0024 -0.0032 0.0173 3614 PHE 45 O -0.0016 -0.0041 0.0188 3615 PHE 45 CB 0.0011 -0.0037 0.0157 3616 PHE 45 CG 0.0023 -0.0040 0.0152 3617 PHE 45 CD1 0.0040 -0.0049 0.0158 3618 PHE 45 CD2 0.0022 -0.0036 0.0143 3619 PHE 45 CE1 0.0054 -0.0051 0.0151 3620 PHE 45 CE2 0.0035 -0.0038 0.0136 3621 PHE 45 CZ 0.0050 -0.0046 0.0141 3622 GLY 46 N -0.0028 -0.0023 0.0161 3623 GLY 46 CA -0.0050 -0.0033 0.0173 3624 GLY 46 C -0.0067 -0.0032 0.0176 3625 GLY 46 O -0.0057 -0.0012 0.0159 3626 ASP 47 N -0.0070 -0.0053 0.0192 3627 ASP 47 CA -0.0097 -0.0032 0.0183 3628 ASP 47 C -0.0058 -0.0050 0.0188 3629 ASP 47 O -0.0049 -0.0071 0.0202 3630 ASP 47 CB -0.0105 -0.0063 0.0208 3631 ASP 47 CG -0.0122 -0.0062 0.0210 3632 ASP 47 OD1 -0.0128 -0.0083 0.0228 3633 ASP 47 OD2 -0.0126 -0.0043 0.0197 3634 LEU 48 N -0.0061 -0.0032 0.0175 3635 LEU 48 CA -0.0035 -0.0034 0.0171 3636 LEU 48 C -0.0049 -0.0032 0.0173 3637 LEU 48 O -0.0037 -0.0021 0.0162 3638 LEU 48 CB -0.0022 -0.0015 0.0155 3639 LEU 48 CG -0.0004 -0.0025 0.0158 3640 LEU 48 CD1 0.0017 -0.0003 0.0137 3641 LEU 48 CD2 0.0013 -0.0048 0.0172 3642 SER 49 N -0.0080 -0.0029 0.0174 3643 SER 49 CA -0.0094 -0.0016 0.0170 3644 SER 49 C -0.0103 -0.0029 0.0177 3645 SER 49 O -0.0102 -0.0020 0.0173 3646 SER 49 CB -0.0116 -0.0015 0.0173 3647 SER 49 OG -0.0123 -0.0033 0.0182 3648 THR 50 N -0.0096 -0.0046 0.0184 3649 THR 50 CA -0.0092 -0.0050 0.0185 3650 THR 50 C -0.0075 -0.0069 0.0192 3651 THR 50 O -0.0065 -0.0073 0.0192 3652 THR 50 CB -0.0112 -0.0071 0.0198 3653 THR 50 OG1 -0.0109 -0.0088 0.0205 3654 THR 50 CG2 -0.0131 -0.0060 0.0195 3655 PRO 51 N -0.0072 -0.0076 0.0195 3656 PRO 51 CA -0.0056 -0.0089 0.0198 3657 PRO 51 C -0.0052 -0.0104 0.0205 3658 PRO 51 O -0.0035 -0.0112 0.0206 3659 PRO 51 CB -0.0059 -0.0095 0.0201 3660 PRO 51 CG -0.0068 -0.0078 0.0195 3661 PRO 51 CD -0.0085 -0.0069 0.0193 3662 ASP 52 N -0.0075 -0.0121 0.0237 3663 ASP 52 CA -0.0071 -0.0141 0.0247 3664 ASP 52 C -0.0070 -0.0120 0.0233 3665 ASP 52 O -0.0059 -0.0133 0.0235 3666 ASP 52 CB -0.0096 -0.0144 0.0265 3667 ASP 52 CG -0.0104 -0.0164 0.0283 3668 ASP 52 OD1 -0.0083 -0.0173 0.0277 3669 ASP 52 OD2 -0.0115 -0.0129 0.0268 3670 ALA 53 N -0.0085 -0.0099 0.0228 3671 ALA 53 CA -0.0087 -0.0081 0.0218 3672 ALA 53 C -0.0057 -0.0078 0.0197 3673 ALA 53 O -0.0046 -0.0082 0.0193 3674 ALA 53 CB -0.0099 -0.0058 0.0209 3675 VAL 54 N -0.0045 -0.0072 0.0186 3676 VAL 54 CA -0.0016 -0.0073 0.0168 3677 VAL 54 C -0.0001 -0.0097 0.0175 3678 VAL 54 O 0.0015 -0.0099 0.0167 3679 VAL 54 CB -0.0010 -0.0066 0.0160 3680 VAL 54 CG1 0.0021 -0.0070 0.0143 3681 VAL 54 CG2 -0.0022 -0.0045 0.0153 3682 MET 55 N -0.0005 -0.0090 0.0168 3683 MET 55 CA 0.0005 -0.0100 0.0174 3684 MET 55 C 0.0001 -0.0111 0.0181 3685 MET 55 O 0.0012 -0.0114 0.0183 3686 MET 55 CB 0.0004 -0.0107 0.0178 3687 MET 55 CG 0.0009 -0.0100 0.0173 3688 MET 55 SD 0.0024 -0.0092 0.0165 3689 MET 55 CE 0.0035 -0.0103 0.0172 3690 GLY 56 N -0.0012 -0.0107 0.0181 3691 GLY 56 CA -0.0011 -0.0116 0.0187 3692 GLY 56 C -0.0011 -0.0110 0.0183 3693 GLY 56 O -0.0015 -0.0113 0.0185 3694 ASN 57 N -0.0011 -0.0098 0.0175 3695 ASN 57 CA -0.0011 -0.0092 0.0170 3696 ASN 57 C 0.0001 -0.0096 0.0172 3697 ASN 57 O 0.0014 -0.0098 0.0171 3698 ASN 57 CB -0.0012 -0.0080 0.0162 3699 ASN 57 CG -0.0011 -0.0073 0.0157 3700 ASN 57 OD1 -0.0004 -0.0074 0.0157 3701 ASN 57 ND2 -0.0019 -0.0065 0.0153 3702 PRO 58 N 0.0011 -0.0077 0.0152 3703 PRO 58 CA 0.0013 -0.0078 0.0149 3704 PRO 58 C 0.0015 -0.0075 0.0142 3705 PRO 58 O 0.0018 -0.0079 0.0139 3706 PRO 58 CB 0.0009 -0.0074 0.0150 3707 PRO 58 CG 0.0006 -0.0072 0.0155 3708 PRO 58 CD 0.0006 -0.0072 0.0155 3709 LYS 59 N 0.0013 -0.0072 0.0140 3710 LYS 59 CA 0.0015 -0.0071 0.0134 3711 LYS 59 C 0.0020 -0.0075 0.0131 3712 LYS 59 O 0.0022 -0.0075 0.0126 3713 LYS 59 CB 0.0012 -0.0065 0.0131 3714 LYS 59 CG 0.0009 -0.0061 0.0131 3715 LYS 59 CD 0.0007 -0.0058 0.0132 3716 LYS 59 CE 0.0004 -0.0051 0.0127 3717 LYS 59 NZ -0.0000 -0.0048 0.0132 3718 VAL 60 N 0.0019 -0.0077 0.0136 3719 VAL 60 CA 0.0024 -0.0083 0.0135 3720 VAL 60 C 0.0027 -0.0086 0.0134 3721 VAL 60 O 0.0031 -0.0089 0.0130 3722 VAL 60 CB 0.0022 -0.0084 0.0139 3723 VAL 60 CG1 0.0027 -0.0090 0.0138 3724 VAL 60 CG2 0.0019 -0.0079 0.0139 3725 LYS 61 N -0.0007 -0.0074 0.0118 3726 LYS 61 CA -0.0013 -0.0074 0.0107 3727 LYS 61 C -0.0018 -0.0071 0.0095 3728 LYS 61 O -0.0026 -0.0078 0.0088 3729 LYS 61 CB -0.0009 -0.0065 0.0106 3730 LYS 61 CG -0.0005 -0.0068 0.0118 3731 LYS 61 CD -0.0000 -0.0059 0.0117 3732 LYS 61 CE 0.0003 -0.0061 0.0125 3733 LYS 61 NZ 0.0007 -0.0052 0.0123 3734 ALA 62 N -0.0014 -0.0062 0.0094 3735 ALA 62 CA -0.0019 -0.0059 0.0082 3736 ALA 62 C -0.0026 -0.0069 0.0079 3737 ALA 62 O -0.0032 -0.0072 0.0070 3738 ALA 62 CB -0.0013 -0.0047 0.0083 3739 HIS 63 N -0.0022 -0.0075 0.0090 3740 HIS 63 CA -0.0028 -0.0085 0.0089 3741 HIS 63 C -0.0035 -0.0097 0.0088 3742 HIS 63 O -0.0042 -0.0103 0.0081 3743 HIS 63 CB -0.0025 -0.0088 0.0098 3744 HIS 63 CG -0.0028 -0.0096 0.0100 3745 HIS 63 ND1 -0.0031 -0.0092 0.0090 3746 HIS 63 CD2 -0.0031 -0.0109 0.0106 3747 HIS 63 CE1 -0.0037 -0.0106 0.0093 3748 HIS 63 NE2 -0.0033 -0.0110 0.0103 3749 GLY 64 N -0.0055 -0.0093 0.0080 3750 GLY 64 CA -0.0060 -0.0094 0.0079 3751 GLY 64 C -0.0091 -0.0075 0.0070 3752 GLY 64 O -0.0112 -0.0086 0.0065 3753 LYS 65 N -0.0098 -0.0041 0.0066 3754 LYS 65 CA -0.0132 -0.0023 0.0057 3755 LYS 65 C -0.0164 -0.0041 0.0049 3756 LYS 65 O -0.0188 -0.0039 0.0043 3757 LYS 65 CB -0.0125 0.0014 0.0056 3758 LYS 65 CG -0.0159 0.0030 0.0047 3759 LYS 65 CD -0.0145 0.0071 0.0049 3760 LYS 65 CE -0.0200 0.0081 0.0034 3761 LYS 65 NZ -0.0190 0.0122 0.0034 3762 LYS 66 N -0.0165 -0.0059 0.0050 3763 LYS 66 CA -0.0196 -0.0078 0.0043 3764 LYS 66 C -0.0203 -0.0103 0.0043 3765 LYS 66 O -0.0234 -0.0114 0.0035 3766 LYS 66 CB -0.0189 -0.0091 0.0046 3767 LYS 66 CG -0.0201 -0.0107 0.0043 3768 LYS 66 CD -0.0201 -0.0091 0.0043 3769 LYS 66 CE -0.0258 -0.0105 0.0029 3770 LYS 66 NZ -0.0261 -0.0133 0.0029 3771 VAL 67 N -0.0150 -0.0095 0.0035 3772 VAL 67 CA -0.0160 -0.0106 0.0039 3773 VAL 67 C -0.0168 -0.0092 0.0037 3774 VAL 67 O -0.0184 -0.0095 0.0041 3775 VAL 67 CB -0.0138 -0.0119 0.0039 3776 VAL 67 CG1 -0.0143 -0.0121 0.0040 3777 VAL 67 CG2 -0.0129 -0.0134 0.0041 3778 LEU 68 N -0.0160 -0.0075 0.0031 3779 LEU 68 CA -0.0169 -0.0062 0.0030 3780 LEU 68 C -0.0189 -0.0050 0.0030 3781 LEU 68 O -0.0204 -0.0044 0.0031 3782 LEU 68 CB -0.0157 -0.0045 0.0023 3783 LEU 68 CG -0.0151 -0.0043 0.0021 3784 LEU 68 CD1 -0.0156 -0.0054 0.0025 3785 LEU 68 CD2 -0.0138 -0.0028 0.0015 3786 GLY 69 N -0.0189 -0.0048 0.0030 3787 GLY 69 CA -0.0209 -0.0043 0.0032 3788 GLY 69 C -0.0228 -0.0055 0.0038 3789 GLY 69 O -0.0244 -0.0048 0.0039 3790 ALA 70 N -0.0187 -0.0072 0.0015 3791 ALA 70 CA -0.0175 -0.0060 0.0016 3792 ALA 70 C -0.0163 -0.0042 0.0013 3793 ALA 70 O -0.0146 -0.0031 0.0021 3794 ALA 70 CB -0.0185 -0.0059 0.0002 3795 PHE 71 N -0.0168 -0.0037 0.0001 3796 PHE 71 CA -0.0156 -0.0019 -0.0004 3797 PHE 71 C -0.0143 -0.0021 0.0015 3798 PHE 71 O -0.0129 -0.0009 0.0020 3799 PHE 71 CB -0.0167 -0.0016 -0.0020 3800 PHE 71 CG -0.0156 0.0000 -0.0024 3801 PHE 71 CD1 -0.0156 0.0016 -0.0040 3802 PHE 71 CD2 -0.0151 -0.0005 -0.0012 3803 PHE 71 CE1 -0.0144 0.0031 -0.0042 3804 PHE 71 CE2 -0.0140 0.0014 -0.0018 3805 PHE 71 CZ -0.0137 0.0031 -0.0033 3806 SER 72 N -0.0149 -0.0038 0.0025 3807 SER 72 CA -0.0140 -0.0044 0.0042 3808 SER 72 C -0.0124 -0.0036 0.0054 3809 SER 72 O -0.0108 -0.0028 0.0066 3810 SER 72 CB -0.0142 -0.0059 0.0056 3811 SER 72 OG -0.0156 -0.0062 0.0041 3812 ASP 73 N -0.0107 -0.0058 0.0035 3813 ASP 73 CA -0.0071 -0.0040 0.0042 3814 ASP 73 C -0.0042 -0.0013 0.0042 3815 ASP 73 O -0.0007 -0.0005 0.0052 3816 ASP 73 CB -0.0066 -0.0047 0.0047 3817 ASP 73 CG -0.0076 -0.0085 0.0059 3818 ASP 73 OD1 -0.0104 -0.0128 0.0067 3819 ASP 73 OD2 -0.0114 -0.0093 0.0048 3820 GLY 74 N -0.0061 0.0026 0.0018 3821 GLY 74 CA -0.0038 0.0061 0.0012 3822 GLY 74 C -0.0021 0.0066 0.0016 3823 GLY 74 O 0.0009 0.0088 0.0018 3824 LEU 75 N -0.0044 0.0032 0.0022 3825 LEU 75 CA -0.0021 0.0027 0.0033 3826 LEU 75 C 0.0021 0.0019 0.0053 3827 LEU 75 O 0.0037 0.0020 0.0059 3828 LEU 75 CB -0.0059 -0.0000 0.0030 3829 LEU 75 CG -0.0092 0.0014 0.0011 3830 LEU 75 CD1 -0.0085 0.0057 -0.0005 3831 LEU 75 CD2 -0.0128 -0.0001 0.0003 3832 ALA 76 N 0.0041 -0.0015 0.0049 3833 ALA 76 CA 0.0098 -0.0030 0.0077 3834 ALA 76 C 0.0110 0.0004 0.0071 3835 ALA 76 O 0.0158 0.0009 0.0088 3836 ALA 76 CB 0.0073 -0.0061 0.0077 3837 HIS 77 N 0.0104 0.0050 0.0053 3838 HIS 77 CA 0.0135 0.0082 0.0055 3839 HIS 77 C 0.0122 0.0134 0.0033 3840 HIS 77 O 0.0124 0.0171 0.0021 3841 HIS 77 CB 0.0139 0.0097 0.0052 3842 HIS 77 CG 0.0150 0.0059 0.0069 3843 HIS 77 ND1 0.0112 0.0030 0.0063 3844 HIS 77 CD2 0.0193 0.0058 0.0087 3845 HIS 77 CE1 0.0140 -0.0017 0.0090 3846 HIS 77 NE2 0.0170 -0.0002 0.0097 3847 LEU 78 N 0.0118 0.0132 0.0032 3848 LEU 78 CA 0.0117 0.0167 0.0020 3849 LEU 78 C 0.0130 0.0212 0.0010 3850 LEU 78 O 0.0125 0.0245 -0.0002 3851 LEU 78 CB 0.0088 0.0152 0.0013 3852 LEU 78 CG 0.0037 0.0144 -0.0005 3853 LEU 78 CD1 0.0040 0.0111 0.0007 3854 LEU 78 CD2 0.0012 0.0152 -0.0017 3855 ASP 79 N 0.0161 0.0198 0.0056 3856 ASP 79 CA 0.0184 0.0247 0.0052 3857 ASP 79 C 0.0199 0.0257 0.0058 3858 ASP 79 O 0.0210 0.0296 0.0050 3859 ASP 79 CB 0.0231 0.0225 0.0093 3860 ASP 79 CG 0.0230 0.0203 0.0102 3861 ASP 79 OD1 0.0290 0.0207 0.0143 3862 ASP 79 OD2 0.0238 0.0264 0.0082 3863 ASN 80 N 0.0166 0.0218 0.0051 3864 ASN 80 CA 0.0160 0.0239 0.0038 3865 ASN 80 C 0.0113 0.0203 0.0020 3866 ASN 80 O 0.0111 0.0190 0.0024 3867 ASN 80 CB 0.0183 0.0224 0.0060 3868 ASN 80 CG 0.0205 0.0206 0.0083 3869 ASN 80 OD1 0.0211 0.0239 0.0074 3870 ASN 80 ND2 0.0200 0.0169 0.0095 3871 LEU 81 N 0.0089 0.0233 -0.0009 3872 LEU 81 CA 0.0045 0.0214 -0.0033 3873 LEU 81 C 0.0039 0.0227 -0.0043 3874 LEU 81 O 0.0016 0.0198 -0.0047 3875 LEU 81 CB 0.0022 0.0237 -0.0059 3876 LEU 81 CG 0.0010 0.0211 -0.0056 3877 LEU 81 CD1 -0.0006 0.0235 -0.0078 3878 LEU 81 CD2 -0.0003 0.0162 -0.0045 3879 LYS 82 N 0.0034 0.0212 0.0001 3880 LYS 82 CA 0.0038 0.0215 0.0004 3881 LYS 82 C 0.0050 0.0202 0.0011 3882 LYS 82 O 0.0050 0.0195 0.0011 3883 LYS 82 CB 0.0043 0.0238 0.0010 3884 LYS 82 CG 0.0031 0.0250 0.0002 3885 LYS 82 CD 0.0036 0.0275 0.0009 3886 LYS 82 CE 0.0010 0.0279 -0.0010 3887 LYS 82 NZ 0.0028 0.0293 0.0004 3888 GLY 83 N 0.0065 0.0194 0.0021 3889 GLY 83 CA 0.0078 0.0185 0.0030 3890 GLY 83 C 0.0074 0.0165 0.0025 3891 GLY 83 O 0.0073 0.0154 0.0023 3892 THR 84 N 0.0061 0.0157 0.0014 3893 THR 84 CA 0.0056 0.0139 0.0009 3894 THR 84 C 0.0047 0.0137 0.0002 3895 THR 84 O 0.0045 0.0121 -0.0001 3896 THR 84 CB 0.0046 0.0133 0.0001 3897 THR 84 OG1 0.0055 0.0135 0.0008 3898 THR 84 CG2 0.0038 0.0114 -0.0006 3899 PHE 85 N 0.0004 0.0132 -0.0034 3900 PHE 85 CA -0.0002 0.0119 -0.0055 3901 PHE 85 C 0.0007 0.0117 -0.0039 3902 PHE 85 O 0.0004 0.0112 -0.0049 3903 PHE 85 CB -0.0018 0.0137 -0.0072 3904 PHE 85 CG -0.0024 0.0128 -0.0090 3905 PHE 85 CD1 -0.0032 0.0147 -0.0092 3906 PHE 85 CD2 -0.0026 0.0106 -0.0108 3907 PHE 85 CE1 -0.0040 0.0142 -0.0110 3908 PHE 85 CE2 -0.0032 0.0101 -0.0123 3909 PHE 85 CZ -0.0040 0.0116 -0.0126 3910 ALA 86 N 0.0017 0.0125 -0.0015 3911 ALA 86 CA 0.0023 0.0129 -0.0002 3912 ALA 86 C 0.0031 0.0100 -0.0007 3913 ALA 86 O 0.0028 0.0101 -0.0012 3914 ALA 86 CB 0.0039 0.0131 0.0028 3915 THR 87 N 0.0038 0.0080 -0.0007 3916 THR 87 CA 0.0044 0.0056 -0.0012 3917 THR 87 C 0.0032 0.0050 -0.0038 3918 THR 87 O 0.0033 0.0042 -0.0042 3919 THR 87 CB 0.0055 0.0032 -0.0009 3920 THR 87 OG1 0.0066 0.0038 0.0016 3921 THR 87 CG2 0.0063 0.0009 -0.0009 3922 LEU 88 N 0.0049 0.0057 -0.0059 3923 LEU 88 CA 0.0063 0.0055 -0.0086 3924 LEU 88 C 0.0065 0.0054 -0.0090 3925 LEU 88 O 0.0081 0.0038 -0.0105 3926 LEU 88 CB 0.0063 0.0081 -0.0110 3927 LEU 88 CG 0.0068 0.0078 -0.0117 3928 LEU 88 CD1 0.0061 0.0107 -0.0132 3929 LEU 88 CD2 0.0084 0.0054 -0.0127 3930 SER 89 N 0.0049 0.0070 -0.0072 3931 SER 89 CA 0.0049 0.0068 -0.0069 3932 SER 89 C 0.0061 0.0036 -0.0064 3933 SER 89 O 0.0073 0.0021 -0.0073 3934 SER 89 CB 0.0032 0.0083 -0.0050 3935 SER 89 OG 0.0033 0.0082 -0.0051 3936 GLU 90 N 0.0055 0.0021 -0.0037 3937 GLU 90 CA 0.0066 -0.0010 -0.0028 3938 GLU 90 C 0.0085 -0.0030 -0.0048 3939 GLU 90 O 0.0095 -0.0048 -0.0051 3940 GLU 90 CB 0.0053 -0.0014 0.0003 3941 GLU 90 CG 0.0060 -0.0042 0.0015 3942 GLU 90 CD 0.0037 -0.0041 0.0061 3943 GLU 90 OE1 0.0055 -0.0066 0.0048 3944 GLU 90 OE2 0.0030 -0.0018 0.0053 3945 LEU 91 N 0.0104 -0.0027 -0.0080 3946 LEU 91 CA 0.0126 -0.0038 -0.0095 3947 LEU 91 C 0.0136 -0.0040 -0.0108 3948 LEU 91 O 0.0155 -0.0054 -0.0114 3949 LEU 91 CB 0.0128 -0.0028 -0.0117 3950 LEU 91 CG 0.0150 -0.0034 -0.0141 3951 LEU 91 CD1 0.0172 -0.0059 -0.0131 3952 LEU 91 CD2 0.0150 -0.0023 -0.0163 3953 HIS 92 N 0.0120 -0.0019 -0.0120 3954 HIS 92 CA 0.0130 -0.0019 -0.0138 3955 HIS 92 C 0.0127 -0.0028 -0.0114 3956 HIS 92 O 0.0142 -0.0037 -0.0123 3957 HIS 92 CB 0.0110 0.0002 -0.0145 3958 HIS 92 CG 0.0114 0.0014 -0.0174 3959 HIS 92 ND1 0.0107 0.0020 -0.0173 3960 HIS 92 CD2 0.0122 0.0021 -0.0200 3961 HIS 92 CE1 0.0113 0.0029 -0.0200 3962 HIS 92 NE2 0.0126 0.0027 -0.0218 3963 CYS 93 N 0.0115 -0.0031 -0.0089 3964 CYS 93 CA 0.0119 -0.0046 -0.0069 3965 CYS 93 C 0.0142 -0.0069 -0.0063 3966 CYS 93 O 0.0153 -0.0077 -0.0066 3967 CYS 93 CB 0.0096 -0.0036 -0.0049 3968 CYS 93 SG 0.0100 -0.0053 -0.0023 3969 ASP 94 N 0.0133 -0.0078 -0.0043 3970 ASP 94 CA 0.0165 -0.0093 -0.0020 3971 ASP 94 C 0.0193 -0.0098 -0.0042 3972 ASP 94 O 0.0216 -0.0108 -0.0029 3973 ASP 94 CB 0.0160 -0.0092 -0.0012 3974 ASP 94 CG 0.0134 -0.0088 0.0019 3975 ASP 94 OD1 0.0124 -0.0086 0.0023 3976 ASP 94 OD2 0.0131 -0.0086 0.0012 3977 LYS 95 N 0.0195 -0.0094 -0.0073 3978 LYS 95 CA 0.0227 -0.0101 -0.0095 3979 LYS 95 C 0.0229 -0.0100 -0.0110 3980 LYS 95 O 0.0247 -0.0105 -0.0114 3981 LYS 95 CB 0.0234 -0.0100 -0.0119 3982 LYS 95 CG 0.0228 -0.0100 -0.0105 3983 LYS 95 CD 0.0268 -0.0118 -0.0072 3984 LYS 95 CE 0.0280 -0.0126 -0.0049 3985 LYS 95 NZ 0.0317 -0.0141 -0.0028 3986 LEU 96 N 0.0196 -0.0086 -0.0128 3987 LEU 96 CA 0.0197 -0.0083 -0.0150 3988 LEU 96 C 0.0187 -0.0083 -0.0130 3989 LEU 96 O 0.0194 -0.0082 -0.0146 3990 LEU 96 CB 0.0179 -0.0072 -0.0180 3991 LEU 96 CG 0.0187 -0.0071 -0.0201 3992 LEU 96 CD1 0.0163 -0.0059 -0.0229 3993 LEU 96 CD2 0.0219 -0.0080 -0.0214 3994 HIS 97 N 0.0119 -0.0055 -0.0078 3995 HIS 97 CA 0.0120 -0.0059 -0.0075 3996 HIS 97 C 0.0120 -0.0050 -0.0083 3997 HIS 97 O 0.0126 -0.0052 -0.0088 3998 HIS 97 CB 0.0130 -0.0069 -0.0075 3999 HIS 97 CG 0.0132 -0.0078 -0.0066 4000 HIS 97 ND1 0.0124 -0.0080 -0.0057 4001 HIS 97 CD2 0.0140 -0.0082 -0.0070 4002 HIS 97 CE1 0.0127 -0.0089 -0.0050 4003 HIS 97 NE2 0.0136 -0.0089 -0.0059 4004 VAL 98 N 0.0112 -0.0040 -0.0087 4005 VAL 98 CA 0.0112 -0.0032 -0.0095 4006 VAL 98 C 0.0104 -0.0029 -0.0090 4007 VAL 98 O 0.0094 -0.0025 -0.0084 4008 VAL 98 CB 0.0107 -0.0022 -0.0101 4009 VAL 98 CG1 0.0105 -0.0012 -0.0108 4010 VAL 98 CG2 0.0117 -0.0025 -0.0107 4011 ASP 99 N 0.0107 -0.0029 -0.0093 4012 ASP 99 CA 0.0099 -0.0025 -0.0089 4013 ASP 99 C 0.0091 -0.0014 -0.0093 4014 ASP 99 O 0.0095 -0.0008 -0.0103 4015 ASP 99 CB 0.0106 -0.0027 -0.0095 4016 ASP 99 CG 0.0099 -0.0023 -0.0092 4017 ASP 99 OD1 0.0107 -0.0027 -0.0095 4018 ASP 99 OD2 0.0089 -0.0020 -0.0086 4019 PRO 100 N 0.0086 0.0020 -0.0082 4020 PRO 100 CA 0.0083 0.0015 -0.0086 4021 PRO 100 C 0.0085 0.0009 -0.0079 4022 PRO 100 O 0.0083 0.0008 -0.0083 4023 PRO 100 CB 0.0078 0.0011 -0.0096 4024 PRO 100 CG 0.0078 0.0009 -0.0094 4025 PRO 100 CD 0.0084 0.0016 -0.0086 4026 GLU 101 N 0.0088 0.0006 -0.0071 4027 GLU 101 CA 0.0090 0.0001 -0.0065 4028 GLU 101 C 0.0093 0.0008 -0.0063 4029 GLU 101 O 0.0092 0.0005 -0.0062 4030 GLU 101 CB 0.0094 -0.0002 -0.0056 4031 GLU 101 CG 0.0096 -0.0007 -0.0048 4032 GLU 101 CD 0.0092 -0.0020 -0.0052 4033 GLU 101 OE1 0.0089 -0.0022 -0.0056 4034 GLU 101 OE2 0.0096 -0.0018 -0.0044 4035 ASN 102 N 0.0094 0.0018 -0.0064 4036 ASN 102 CA 0.0096 0.0026 -0.0063 4037 ASN 102 C 0.0093 0.0025 -0.0071 4038 ASN 102 O 0.0094 0.0027 -0.0069 4039 ASN 102 CB 0.0098 0.0036 -0.0065 4040 ASN 102 CG 0.0102 0.0038 -0.0056 4041 ASN 102 OD1 0.0106 0.0039 -0.0049 4042 ASN 102 ND2 0.0102 0.0039 -0.0057 4043 PHE 103 N 0.0068 0.0065 -0.0083 4044 PHE 103 CA 0.0067 0.0058 -0.0096 4045 PHE 103 C 0.0067 0.0040 -0.0088 4046 PHE 103 O 0.0067 0.0035 -0.0089 4047 PHE 103 CB 0.0066 0.0055 -0.0113 4048 PHE 103 CG 0.0066 0.0072 -0.0119 4049 PHE 103 CD1 0.0066 0.0088 -0.0116 4050 PHE 103 CD2 0.0065 0.0071 -0.0130 4051 PHE 103 CE1 0.0066 0.0103 -0.0123 4052 PHE 103 CE2 0.0065 0.0087 -0.0136 4053 PHE 103 CZ 0.0066 0.0103 -0.0132 4054 ARG 104 N 0.0067 0.0030 -0.0081 4055 ARG 104 CA 0.0067 0.0014 -0.0075 4056 ARG 104 C 0.0068 0.0016 -0.0058 4057 ARG 104 O 0.0068 0.0006 -0.0056 4058 ARG 104 CB 0.0067 0.0004 -0.0071 4059 ARG 104 CG 0.0066 0.0002 -0.0086 4060 ARG 104 CD 0.0066 -0.0007 -0.0084 4061 ARG 104 NE 0.0064 -0.0008 -0.0106 4062 ARG 104 CZ 0.0064 -0.0012 -0.0101 4063 ARG 104 NH1 0.0066 -0.0013 -0.0083 4064 ARG 104 NH2 0.0063 -0.0024 -0.0110 4065 LEU 105 N 0.0069 0.0027 -0.0048 4066 LEU 105 CA 0.0071 0.0031 -0.0033 4067 LEU 105 C 0.0071 0.0035 -0.0036 4068 LEU 105 O 0.0071 0.0028 -0.0030 4069 LEU 105 CB 0.0072 0.0042 -0.0024 4070 LEU 105 CG 0.0072 0.0041 -0.0014 4071 LEU 105 CD1 0.0073 0.0053 -0.0005 4072 LEU 105 CD2 0.0072 0.0024 -0.0006 4073 LEU 106 N 0.0030 -0.0021 -0.0029 4074 LEU 106 CA 0.0031 -0.0024 -0.0030 4075 LEU 106 C 0.0028 -0.0012 -0.0026 4076 LEU 106 O 0.0027 -0.0009 -0.0031 4077 LEU 106 CB 0.0034 -0.0035 -0.0019 4078 LEU 106 CG 0.0035 -0.0039 -0.0020 4079 LEU 106 CD1 0.0036 -0.0044 -0.0033 4080 LEU 106 CD2 0.0037 -0.0048 -0.0008 4081 GLY 107 N 0.0026 -0.0004 -0.0016 4082 GLY 107 CA 0.0023 0.0009 -0.0011 4083 GLY 107 C 0.0021 0.0018 -0.0024 4084 GLY 107 O 0.0019 0.0024 -0.0026 4085 ASN 108 N 0.0020 0.0019 -0.0032 4086 ASN 108 CA 0.0019 0.0028 -0.0044 4087 ASN 108 C 0.0020 0.0023 -0.0055 4088 ASN 108 O 0.0018 0.0031 -0.0062 4089 ASN 108 CB 0.0018 0.0031 -0.0050 4090 ASN 108 CG 0.0015 0.0042 -0.0038 4091 ASN 108 OD1 0.0013 0.0050 -0.0031 4092 ASN 108 ND2 0.0015 0.0042 -0.0044 4093 VAL 109 N 0.0003 -0.0033 0.0007 4094 VAL 109 CA 0.0014 -0.0024 -0.0004 4095 VAL 109 C 0.0006 -0.0011 -0.0013 4096 VAL 109 O 0.0009 -0.0000 -0.0022 4097 VAL 109 CB 0.0030 -0.0031 -0.0001 4098 VAL 109 CG1 0.0042 -0.0022 -0.0013 4099 VAL 109 CG2 0.0040 -0.0042 0.0005 4100 LEU 110 N -0.0005 -0.0012 -0.0009 4101 LEU 110 CA -0.0015 0.0000 -0.0017 4102 LEU 110 C -0.0022 0.0010 -0.0023 4103 LEU 110 O -0.0026 0.0023 -0.0033 4104 LEU 110 CB -0.0025 -0.0002 -0.0012 4105 LEU 110 CG -0.0036 0.0008 -0.0018 4106 LEU 110 CD1 -0.0027 0.0018 -0.0028 4107 LEU 110 CD2 -0.0048 0.0004 -0.0011 4108 VAL 111 N -0.0032 0.0004 -0.0015 4109 VAL 111 CA -0.0042 0.0013 -0.0020 4110 VAL 111 C -0.0030 0.0020 -0.0029 4111 VAL 111 O -0.0034 0.0032 -0.0038 4112 VAL 111 CB -0.0053 0.0004 -0.0010 4113 VAL 111 CG1 -0.0059 0.0012 -0.0015 4114 VAL 111 CG2 -0.0068 0.0000 -0.0003 4115 CYS 112 N -0.0045 -0.0040 0.0009 4116 CYS 112 CA -0.0035 -0.0036 0.0008 4117 CYS 112 C -0.0033 -0.0023 0.0004 4118 CYS 112 O -0.0030 -0.0017 0.0002 4119 CYS 112 CB -0.0025 -0.0041 0.0011 4120 CYS 112 SG -0.0025 -0.0052 0.0015 4121 VAL 113 N -0.0037 -0.0022 0.0003 4122 VAL 113 CA -0.0035 -0.0012 -0.0000 4123 VAL 113 C -0.0043 -0.0004 -0.0004 4124 VAL 113 O -0.0040 0.0004 -0.0007 4125 VAL 113 CB -0.0037 -0.0013 -0.0000 4126 VAL 113 CG1 -0.0037 -0.0002 -0.0004 4127 VAL 113 CG2 -0.0025 -0.0018 0.0003 4128 LEU 114 N -0.0053 -0.0007 -0.0004 4129 LEU 114 CA -0.0061 -0.0000 -0.0007 4130 LEU 114 C -0.0057 0.0003 -0.0008 4131 LEU 114 O -0.0057 0.0011 -0.0011 4132 LEU 114 CB -0.0072 -0.0006 -0.0006 4133 LEU 114 CG -0.0076 -0.0008 -0.0005 4134 LEU 114 CD1 -0.0088 -0.0014 -0.0004 4135 LEU 114 CD2 -0.0079 0.0003 -0.0010 4136 ALA 115 N -0.0075 -0.0029 -0.0009 4137 ALA 115 CA -0.0062 -0.0021 -0.0012 4138 ALA 115 C -0.0052 -0.0013 -0.0014 4139 ALA 115 O -0.0048 -0.0002 -0.0013 4140 ALA 115 CB -0.0054 -0.0033 -0.0016 4141 HIS 116 N -0.0047 -0.0020 -0.0016 4142 HIS 116 CA -0.0038 -0.0013 -0.0018 4143 HIS 116 C -0.0044 -0.0000 -0.0014 4144 HIS 116 O -0.0036 0.0012 -0.0015 4145 HIS 116 CB -0.0035 -0.0025 -0.0021 4146 HIS 116 CG -0.0024 -0.0019 -0.0024 4147 HIS 116 ND1 -0.0027 -0.0020 -0.0023 4148 HIS 116 CD2 -0.0012 -0.0014 -0.0027 4149 HIS 116 CE1 -0.0015 -0.0016 -0.0026 4150 HIS 116 NE2 -0.0005 -0.0010 -0.0028 4151 HIS 117 N -0.0058 -0.0001 -0.0010 4152 HIS 117 CA -0.0065 0.0010 -0.0006 4153 HIS 117 C -0.0067 0.0022 -0.0004 4154 HIS 117 O -0.0066 0.0036 -0.0002 4155 HIS 117 CB -0.0079 0.0003 -0.0003 4156 HIS 117 CG -0.0085 0.0012 0.0001 4157 HIS 117 ND1 -0.0079 0.0017 -0.0001 4158 HIS 117 CD2 -0.0095 0.0027 0.0006 4159 HIS 117 CE1 -0.0091 0.0029 0.0005 4160 HIS 117 NE2 -0.0097 0.0032 0.0007 4161 PHE 118 N -0.0080 0.0016 -0.0014 4162 PHE 118 CA -0.0092 0.0023 -0.0017 4163 PHE 118 C -0.0090 0.0024 -0.0018 4164 PHE 118 O -0.0098 0.0031 -0.0022 4165 PHE 118 CB -0.0105 0.0017 -0.0013 4166 PHE 118 CG -0.0108 0.0019 -0.0014 4167 PHE 118 CD1 -0.0109 0.0011 -0.0010 4168 PHE 118 CD2 -0.0113 0.0031 -0.0021 4169 PHE 118 CE1 -0.0111 0.0011 -0.0010 4170 PHE 118 CE2 -0.0115 0.0033 -0.0022 4171 PHE 118 CZ -0.0112 0.0024 -0.0017 4172 GLY 119 N -0.0081 0.0017 -0.0014 4173 GLY 119 CA -0.0078 0.0020 -0.0016 4174 GLY 119 C -0.0092 0.0016 -0.0013 4175 GLY 119 O -0.0101 0.0009 -0.0009 4176 LYS 120 N -0.0095 0.0025 -0.0018 4177 LYS 120 CA -0.0106 0.0023 -0.0016 4178 LYS 120 C -0.0119 0.0025 -0.0017 4179 LYS 120 O -0.0129 0.0019 -0.0013 4180 LYS 120 CB -0.0103 0.0033 -0.0022 4181 LYS 120 CG -0.0112 0.0042 -0.0027 4182 LYS 120 CD -0.0117 0.0054 -0.0034 4183 LYS 120 CE -0.0116 0.0065 -0.0040 4184 LYS 120 NZ -0.0130 0.0080 -0.0048 4185 GLU 121 N -0.0088 0.0040 -0.0005 4186 GLU 121 CA -0.0091 0.0040 -0.0004 4187 GLU 121 C -0.0094 0.0035 -0.0008 4188 GLU 121 O -0.0096 0.0035 -0.0007 4189 GLU 121 CB -0.0098 0.0041 0.0000 4190 GLU 121 CG -0.0101 0.0041 0.0002 4191 GLU 121 CD -0.0106 0.0045 0.0008 4192 GLU 121 OE1 -0.0111 0.0042 0.0007 4193 GLU 121 OE2 -0.0107 0.0043 0.0007 4194 PHE 122 N -0.0094 0.0032 -0.0011 4195 PHE 122 CA -0.0096 0.0028 -0.0015 4196 PHE 122 C -0.0090 0.0027 -0.0018 4197 PHE 122 O -0.0087 0.0025 -0.0022 4198 PHE 122 CB -0.0097 0.0025 -0.0018 4199 PHE 122 CG -0.0101 0.0020 -0.0021 4200 PHE 122 CD1 -0.0106 0.0020 -0.0020 4201 PHE 122 CD2 -0.0099 0.0017 -0.0026 4202 PHE 122 CE1 -0.0110 0.0015 -0.0023 4203 PHE 122 CE2 -0.0102 0.0012 -0.0029 4204 PHE 122 CZ -0.0107 0.0012 -0.0027 4205 THR 123 N -0.0089 0.0029 -0.0016 4206 THR 123 CA -0.0084 0.0029 -0.0019 4207 THR 123 C -0.0085 0.0025 -0.0023 4208 THR 123 O -0.0090 0.0022 -0.0024 4209 THR 123 CB -0.0083 0.0032 -0.0016 4210 THR 123 OG1 -0.0088 0.0031 -0.0014 4211 THR 123 CG2 -0.0082 0.0037 -0.0011 4212 PRO 124 N -0.0057 0.0035 -0.0042 4213 PRO 124 CA -0.0056 0.0033 -0.0053 4214 PRO 124 C -0.0059 0.0032 -0.0053 4215 PRO 124 O -0.0065 0.0030 -0.0060 4216 PRO 124 CB -0.0045 0.0034 -0.0057 4217 PRO 124 CG -0.0043 0.0036 -0.0051 4218 PRO 124 CD -0.0047 0.0037 -0.0040 4219 PRO 125 N -0.0055 0.0034 -0.0046 4220 PRO 125 CA -0.0059 0.0034 -0.0046 4221 PRO 125 C -0.0070 0.0032 -0.0044 4222 PRO 125 O -0.0075 0.0030 -0.0049 4223 PRO 125 CB -0.0052 0.0037 -0.0038 4224 PRO 125 CG -0.0043 0.0039 -0.0037 4225 PRO 125 CD -0.0045 0.0038 -0.0038 4226 VAL 126 N -0.0075 0.0032 -0.0036 4227 VAL 126 CA -0.0087 0.0030 -0.0034 4228 VAL 126 C -0.0094 0.0027 -0.0045 4229 VAL 126 O -0.0101 0.0025 -0.0047 4230 VAL 126 CB -0.0090 0.0032 -0.0023 4231 VAL 126 CG1 -0.0101 0.0030 -0.0022 4232 VAL 126 CG2 -0.0084 0.0035 -0.0015 4233 GLN 127 N -0.0073 0.0054 -0.0037 4234 GLN 127 CA -0.0074 0.0053 -0.0041 4235 GLN 127 C -0.0076 0.0049 -0.0048 4236 GLN 127 O -0.0081 0.0050 -0.0052 4237 GLN 127 CB -0.0069 0.0052 -0.0038 4238 GLN 127 CG -0.0071 0.0050 -0.0042 4239 GLN 127 CD -0.0065 0.0047 -0.0040 4240 GLN 127 OE1 -0.0060 0.0047 -0.0035 4241 GLN 127 NE2 -0.0066 0.0046 -0.0043 4242 ALA 128 N -0.0072 0.0045 -0.0050 4243 ALA 128 CA -0.0072 0.0041 -0.0057 4244 ALA 128 C -0.0079 0.0043 -0.0061 4245 ALA 128 O -0.0082 0.0042 -0.0066 4246 ALA 128 CB -0.0067 0.0037 -0.0058 4247 ALA 129 N -0.0081 0.0046 -0.0057 4248 ALA 129 CA -0.0087 0.0049 -0.0060 4249 ALA 129 C -0.0092 0.0052 -0.0061 4250 ALA 129 O -0.0097 0.0052 -0.0066 4251 ALA 129 CB -0.0087 0.0052 -0.0056 4252 TYR 130 N -0.0089 0.0068 -0.0045 4253 TYR 130 CA -0.0097 0.0066 -0.0047 4254 TYR 130 C -0.0101 0.0075 -0.0054 4255 TYR 130 O -0.0102 0.0077 -0.0056 4256 TYR 130 CB -0.0106 0.0060 -0.0045 4257 TYR 130 CG -0.0104 0.0051 -0.0039 4258 TYR 130 CD1 -0.0107 0.0049 -0.0038 4259 TYR 130 CD2 -0.0100 0.0046 -0.0034 4260 TYR 130 CE1 -0.0106 0.0040 -0.0032 4261 TYR 130 CE2 -0.0099 0.0037 -0.0027 4262 TYR 130 CZ -0.0100 0.0035 -0.0026 4263 TYR 130 OH -0.0099 0.0027 -0.0020 4264 GLN 131 N -0.0100 0.0081 -0.0058 4265 GLN 131 CA -0.0102 0.0089 -0.0065 4266 GLN 131 C -0.0096 0.0094 -0.0066 4267 GLN 131 O -0.0098 0.0098 -0.0070 4268 GLN 131 CB -0.0104 0.0095 -0.0069 4269 GLN 131 CG -0.0112 0.0091 -0.0069 4270 GLN 131 CD -0.0124 0.0093 -0.0074 4271 GLN 131 OE1 -0.0130 0.0089 -0.0072 4272 GLN 131 NE2 -0.0125 0.0097 -0.0077 4273 LYS 132 N -0.0086 0.0094 -0.0063 4274 LYS 132 CA -0.0078 0.0099 -0.0064 4275 LYS 132 C -0.0080 0.0095 -0.0062 4276 LYS 132 O -0.0080 0.0099 -0.0064 4277 LYS 132 CB -0.0068 0.0097 -0.0060 4278 LYS 132 CG -0.0064 0.0104 -0.0063 4279 LYS 132 CD -0.0053 0.0101 -0.0058 4280 LYS 132 CE -0.0054 0.0102 -0.0059 4281 LYS 132 NZ -0.0036 0.0104 -0.0055 4282 VAL 133 N -0.0065 0.0111 -0.0071 4283 VAL 133 CA -0.0066 0.0106 -0.0068 4284 VAL 133 C -0.0072 0.0107 -0.0072 4285 VAL 133 O -0.0071 0.0107 -0.0072 4286 VAL 133 CB -0.0066 0.0099 -0.0064 4287 VAL 133 CG1 -0.0069 0.0094 -0.0063 4288 VAL 133 CG2 -0.0060 0.0099 -0.0060 4289 VAL 134 N -0.0077 0.0106 -0.0075 4290 VAL 134 CA -0.0083 0.0106 -0.0078 4291 VAL 134 C -0.0083 0.0113 -0.0083 4292 VAL 134 O -0.0085 0.0113 -0.0083 4293 VAL 134 CB -0.0090 0.0103 -0.0081 4294 VAL 134 CG1 -0.0091 0.0097 -0.0077 4295 VAL 134 CG2 -0.0090 0.0109 -0.0084 4296 ALA 135 N -0.0079 0.0118 -0.0084 4297 ALA 135 CA -0.0078 0.0125 -0.0087 4298 ALA 135 C -0.0073 0.0124 -0.0084 4299 ALA 135 O -0.0074 0.0127 -0.0086 4300 ALA 135 CB -0.0075 0.0130 -0.0089 4301 GLY 136 N -0.0061 0.0196 -0.0124 4302 GLY 136 CA -0.0067 0.0193 -0.0111 4303 GLY 136 C -0.0065 0.0177 -0.0109 4304 GLY 136 O -0.0067 0.0166 -0.0100 4305 VAL 137 N -0.0061 0.0175 -0.0117 4306 VAL 137 CA -0.0059 0.0162 -0.0117 4307 VAL 137 C -0.0055 0.0148 -0.0122 4308 VAL 137 O -0.0056 0.0137 -0.0116 4309 VAL 137 CB -0.0055 0.0162 -0.0126 4310 VAL 137 CG1 -0.0052 0.0146 -0.0128 4311 VAL 137 CG2 -0.0060 0.0173 -0.0119 4312 ALA 138 N -0.0051 0.0150 -0.0132 4313 ALA 138 CA -0.0047 0.0139 -0.0138 4314 ALA 138 C -0.0051 0.0133 -0.0126 4315 ALA 138 O -0.0050 0.0121 -0.0124 4316 ALA 138 CB -0.0042 0.0145 -0.0151 4317 ASN 139 N -0.0039 0.0192 -0.0127 4318 ASN 139 CA -0.0042 0.0196 -0.0107 4319 ASN 139 C -0.0033 0.0184 -0.0093 4320 ASN 139 O -0.0027 0.0176 -0.0076 4321 ASN 139 CB -0.0052 0.0209 -0.0101 4322 ASN 139 CG -0.0061 0.0221 -0.0095 4323 ASN 139 OD1 -0.0057 0.0217 -0.0071 4324 ASN 139 ND2 -0.0060 0.0220 -0.0110 4325 ALA 140 N -0.0031 0.0182 -0.0097 4326 ALA 140 CA -0.0023 0.0171 -0.0086 4327 ALA 140 C -0.0009 0.0153 -0.0090 4328 ALA 140 O -0.0003 0.0146 -0.0074 4329 ALA 140 CB -0.0023 0.0172 -0.0094 4330 LEU 141 N -0.0005 0.0148 -0.0106 4331 LEU 141 CA 0.0007 0.0132 -0.0109 4332 LEU 141 C 0.0009 0.0129 -0.0097 4333 LEU 141 O 0.0020 0.0116 -0.0094 4334 LEU 141 CB 0.0010 0.0128 -0.0132 4335 LEU 141 CG 0.0013 0.0124 -0.0142 4336 LEU 141 CD1 0.0018 0.0117 -0.0161 4337 LEU 141 CD2 0.0027 0.0105 -0.0131 4338 ALA 142 N 0.0011 0.0118 -0.0090 4339 ALA 142 CA 0.0012 0.0115 -0.0088 4340 ALA 142 C 0.0011 0.0117 -0.0061 4341 ALA 142 O 0.0012 0.0110 -0.0060 4342 ALA 142 CB 0.0008 0.0136 -0.0107 4343 HIS 143 N 0.0010 0.0124 -0.0040 4344 HIS 143 CA 0.0008 0.0130 -0.0013 4345 HIS 143 C 0.0012 0.0107 0.0001 4346 HIS 143 O 0.0010 0.0116 0.0014 4347 HIS 143 CB 0.0005 0.0145 0.0003 4348 HIS 143 CG 0.0004 0.0151 0.0028 4349 HIS 143 ND1 0.0006 0.0141 0.0050 4350 HIS 143 CD2 -0.0002 0.0181 0.0030 4351 HIS 143 CE1 0.0002 0.0159 0.0068 4352 HIS 143 NE2 -0.0002 0.0182 0.0056 4353 LYS 144 N 0.0016 0.0084 -0.0003 4354 LYS 144 CA 0.0021 0.0057 0.0009 4355 LYS 144 C 0.0023 0.0048 -0.0002 4356 LYS 144 O 0.0027 0.0024 0.0003 4357 LYS 144 CB 0.0024 0.0044 0.0025 4358 LYS 144 CG 0.0021 0.0059 0.0044 4359 LYS 144 CD 0.0021 0.0057 0.0071 4360 LYS 144 CE 0.0019 0.0063 0.0090 4361 LYS 144 NZ 0.0022 0.0045 0.0130 4362 TYR 145 N 0.0040 0.0002 -0.0002 4363 TYR 145 CA 0.0052 -0.0015 -0.0014 4364 TYR 145 C 0.0048 -0.0028 0.0002 4365 TYR 145 O 0.0036 -0.0012 0.0014 4366 TYR 145 CB 0.0062 -0.0003 -0.0044 4367 TYR 145 CG 0.0074 -0.0006 -0.0067 4368 TYR 145 CD1 0.0090 -0.0021 -0.0088 4369 TYR 145 CD2 0.0068 0.0012 -0.0064 4370 TYR 145 CE1 0.0099 -0.0022 -0.0107 4371 TYR 145 CE2 0.0079 0.0010 -0.0086 4372 TYR 145 CZ 0.0093 -0.0005 -0.0104 4373 TYR 145 OH 0.0104 -0.0007 -0.0126 4374 HIS 146 N 0.0055 -0.0055 0.0003 4375 HIS 146 CA 0.0053 -0.0071 0.0017 4376 HIS 146 C 0.0068 -0.0097 0.0003 4377 HIS 146 O 0.0080 -0.0104 -0.0017 4378 HIS 146 CB 0.0040 -0.0079 0.0049 4379 HIS 146 CG 0.0047 -0.0094 0.0044 4380 HIS 146 ND1 0.0054 -0.0134 0.0053 4381 HIS 146 CD2 0.0057 -0.0105 0.0030 4382 HIS 146 CE1 0.0057 -0.0140 0.0053 4383 HIS 146 NE2 0.0065 -0.0134 0.0032 4384 HIS 146 OXT 0.0065 -0.0108 0.0015