1 VAL 1 N -0.0133 -0.0120 -0.0161 2 VAL 1 CA -0.0142 -0.0107 -0.0152 3 VAL 1 C -0.0133 -0.0083 -0.0142 4 VAL 1 O -0.0138 -0.0081 -0.0140 5 VAL 1 CB -0.0173 -0.0113 -0.0150 6 VAL 1 CG1 -0.0183 -0.0100 -0.0142 7 VAL 1 CG2 -0.0168 -0.0132 -0.0161 8 LEU 2 N -0.0133 -0.0071 -0.0136 9 LEU 2 CA -0.0130 -0.0049 -0.0125 10 LEU 2 C -0.0156 -0.0037 -0.0114 11 LEU 2 O -0.0166 -0.0040 -0.0114 12 LEU 2 CB -0.0117 -0.0039 -0.0122 13 LEU 2 CG -0.0093 -0.0037 -0.0125 14 LEU 2 CD1 -0.0076 -0.0039 -0.0128 15 LEU 2 CD2 -0.0082 -0.0032 -0.0124 16 SER 3 N -0.0156 -0.0034 -0.0113 17 SER 3 CA -0.0179 -0.0022 -0.0103 18 SER 3 C -0.0176 -0.0004 -0.0094 19 SER 3 O -0.0158 0.0008 -0.0091 20 SER 3 CB -0.0176 -0.0019 -0.0101 21 SER 3 OG -0.0162 -0.0005 -0.0097 22 PRO 4 N -0.0218 -0.0020 -0.0177 23 PRO 4 CA -0.0203 -0.0017 -0.0163 24 PRO 4 C -0.0190 0.0006 -0.0126 25 PRO 4 O -0.0162 0.0006 -0.0107 26 PRO 4 CB -0.0240 0.0011 -0.0157 27 PRO 4 CG -0.0261 -0.0004 -0.0190 28 PRO 4 CD -0.0251 -0.0025 -0.0207 29 ALA 5 N -0.0201 0.0021 -0.0118 30 ALA 5 CA -0.0188 0.0040 -0.0087 31 ALA 5 C -0.0147 0.0021 -0.0079 32 ALA 5 O -0.0124 0.0030 -0.0052 33 ALA 5 CB -0.0210 0.0058 -0.0081 34 ASP 6 N -0.0138 -0.0006 -0.0104 35 ASP 6 CA -0.0100 -0.0026 -0.0099 36 ASP 6 C -0.0080 -0.0030 -0.0090 37 ASP 6 O -0.0050 -0.0030 -0.0068 38 ASP 6 CB -0.0096 -0.0051 -0.0126 39 ASP 6 CG -0.0110 -0.0046 -0.0129 40 ASP 6 OD1 -0.0106 -0.0029 -0.0108 41 ASP 6 OD2 -0.0123 -0.0063 -0.0159 42 LYS 7 N -0.0085 -0.0063 -0.0080 43 LYS 7 CA -0.0061 -0.0045 -0.0064 44 LYS 7 C -0.0051 -0.0027 -0.0038 45 LYS 7 O -0.0027 -0.0018 -0.0035 46 LYS 7 CB -0.0067 -0.0050 -0.0068 47 LYS 7 CG -0.0075 -0.0067 -0.0095 48 LYS 7 CD -0.0087 -0.0070 -0.0093 49 LYS 7 CE -0.0101 -0.0088 -0.0116 50 LYS 7 NZ -0.0104 -0.0084 -0.0107 51 THR 8 N -0.0081 -0.0030 -0.0023 52 THR 8 CA -0.0074 -0.0014 0.0001 53 THR 8 C -0.0056 -0.0008 0.0001 54 THR 8 O -0.0038 0.0005 0.0013 55 THR 8 CB -0.0109 -0.0017 0.0019 56 THR 8 OG1 -0.0119 -0.0018 0.0023 57 THR 8 CG2 -0.0105 -0.0004 0.0040 58 ASN 9 N -0.0062 -0.0022 -0.0021 59 ASN 9 CA -0.0048 -0.0021 -0.0028 60 ASN 9 C -0.0012 -0.0013 -0.0036 61 ASN 9 O 0.0004 -0.0005 -0.0032 62 ASN 9 CB -0.0060 -0.0037 -0.0049 63 ASN 9 CG -0.0090 -0.0041 -0.0036 64 ASN 9 OD1 -0.0098 -0.0030 -0.0012 65 ASN 9 ND2 -0.0105 -0.0054 -0.0052 66 VAL 10 N 0.0058 -0.0076 -0.0051 67 VAL 10 CA 0.0079 -0.0050 -0.0067 68 VAL 10 C 0.0098 -0.0034 -0.0037 69 VAL 10 O 0.0110 -0.0019 -0.0047 70 VAL 10 CB 0.0085 -0.0041 -0.0081 71 VAL 10 CG1 0.0107 -0.0015 -0.0093 72 VAL 10 CG2 0.0070 -0.0054 -0.0106 73 LYS 11 N 0.0098 -0.0038 -0.0008 74 LYS 11 CA 0.0119 -0.0020 0.0019 75 LYS 11 C 0.0112 -0.0030 0.0028 76 LYS 11 O 0.0128 -0.0013 0.0031 77 LYS 11 CB 0.0119 -0.0025 0.0048 78 LYS 11 CG 0.0126 -0.0017 0.0046 79 LYS 11 CD 0.0133 -0.0014 0.0074 80 LYS 11 CE 0.0150 0.0007 0.0060 81 LYS 11 NZ 0.0145 -0.0003 0.0084 82 ALA 12 N 0.0090 -0.0052 0.0020 83 ALA 12 CA 0.0092 -0.0052 0.0036 84 ALA 12 C 0.0088 -0.0053 0.0009 85 ALA 12 O 0.0101 -0.0038 0.0008 86 ALA 12 CB 0.0065 -0.0083 0.0038 87 ALA 13 N 0.0253 -0.0072 0.0010 88 ALA 13 CA 0.0201 -0.0072 0.0011 89 ALA 13 C 0.0211 -0.0066 0.0009 90 ALA 13 O 0.0178 -0.0089 0.0016 91 ALA 13 CB 0.0165 -0.0017 -0.0005 92 TRP 14 N 0.0258 -0.0029 -0.0002 93 TRP 14 CA 0.0268 -0.0020 -0.0004 94 TRP 14 C 0.0299 -0.0078 0.0012 95 TRP 14 O 0.0287 -0.0090 0.0016 96 TRP 14 CB 0.0316 0.0042 -0.0023 97 TRP 14 CG 0.0302 0.0049 -0.0025 98 TRP 14 CD1 0.0355 0.0044 -0.0023 99 TRP 14 CD2 0.0260 0.0090 -0.0036 100 TRP 14 NE1 0.0323 0.0080 -0.0034 101 TRP 14 CE2 0.0280 0.0103 -0.0040 102 TRP 14 CE3 0.0206 0.0111 -0.0042 103 TRP 14 CZ2 0.0247 0.0129 -0.0047 104 TRP 14 CZ3 0.0176 0.0143 -0.0051 105 TRP 14 CH2 0.0201 0.0148 -0.0053 106 GLY 15 N 0.0324 -0.0109 0.0021 107 GLY 15 CA 0.0356 -0.0153 0.0033 108 GLY 15 C 0.0292 -0.0189 0.0044 109 GLY 15 O 0.0308 -0.0226 0.0054 110 LYS 16 N 0.0340 -0.0249 -0.0026 111 LYS 16 CA 0.0276 -0.0267 -0.0009 112 LYS 16 C 0.0242 -0.0270 -0.0001 113 LYS 16 O 0.0209 -0.0301 0.0010 114 LYS 16 CB 0.0233 -0.0255 -0.0001 115 LYS 16 CG 0.0182 -0.0308 0.0017 116 LYS 16 CD 0.0231 -0.0374 0.0013 117 LYS 16 CE 0.0156 -0.0394 0.0033 118 LYS 16 NZ 0.0100 -0.0386 0.0045 119 VAL 17 N 0.0248 -0.0209 -0.0009 120 VAL 17 CA 0.0218 -0.0189 -0.0005 121 VAL 17 C 0.0228 -0.0241 -0.0001 122 VAL 17 O 0.0201 -0.0258 0.0007 123 VAL 17 CB 0.0209 -0.0130 -0.0009 124 VAL 17 CG1 0.0202 -0.0119 -0.0009 125 VAL 17 CG2 0.0179 -0.0084 -0.0007 126 GLY 18 N 0.0296 -0.0238 -0.0017 127 GLY 18 CA 0.0325 -0.0281 -0.0019 128 GLY 18 C 0.0298 -0.0266 -0.0015 129 GLY 18 O 0.0313 -0.0211 -0.0024 130 ALA 19 N 0.0328 -0.0387 -0.0035 131 ALA 19 CA 0.0323 -0.0391 -0.0035 132 ALA 19 C 0.0210 -0.0356 -0.0029 133 ALA 19 O 0.0165 -0.0318 -0.0025 134 ALA 19 CB 0.0305 -0.0480 -0.0037 135 HIS 20 N 0.0161 -0.0324 -0.0025 136 HIS 20 CA 0.0062 -0.0288 -0.0019 137 HIS 20 C 0.0085 -0.0177 -0.0017 138 HIS 20 O 0.0008 -0.0124 -0.0012 139 HIS 20 CB 0.0021 -0.0305 -0.0018 140 HIS 20 CG -0.0018 -0.0392 -0.0018 141 HIS 20 ND1 -0.0082 -0.0453 -0.0017 142 HIS 20 CD2 0.0050 -0.0472 -0.0024 143 HIS 20 CE1 -0.0073 -0.0531 -0.0020 144 HIS 20 NE2 -0.0025 -0.0553 -0.0023 145 ALA 21 N 0.0164 -0.0145 -0.0020 146 ALA 21 CA 0.0194 -0.0040 -0.0019 147 ALA 21 C 0.0077 0.0021 -0.0011 148 ALA 21 O 0.0079 0.0087 -0.0009 149 ALA 21 CB 0.0290 -0.0012 -0.0023 150 GLY 22 N 0.0053 0.0002 0.0040 151 GLY 22 CA -0.0010 0.0038 0.0045 152 GLY 22 C -0.0059 0.0040 0.0038 153 GLY 22 O -0.0110 0.0074 0.0045 154 GLU 23 N -0.0092 -0.0018 0.0010 155 GLU 23 CA -0.0152 -0.0026 -0.0002 156 GLU 23 C -0.0141 0.0004 0.0012 157 GLU 23 O -0.0188 0.0023 0.0013 158 GLU 23 CB -0.0149 -0.0101 -0.0032 159 GLU 23 CG -0.0215 -0.0116 -0.0047 160 GLU 23 CD -0.0209 -0.0213 -0.0085 161 GLU 23 OE1 -0.0193 -0.0211 -0.0083 162 GLU 23 OE2 -0.0165 -0.0226 -0.0084 163 TYR 24 N -0.0082 -0.0010 0.0015 164 TYR 24 CA -0.0070 0.0011 0.0025 165 TYR 24 C -0.0068 0.0082 0.0054 166 TYR 24 O -0.0090 0.0111 0.0062 167 TYR 24 CB 0.0007 -0.0006 0.0030 168 TYR 24 CG 0.0003 -0.0080 -0.0001 169 TYR 24 CD1 0.0057 -0.0108 -0.0004 170 TYR 24 CD2 -0.0049 -0.0113 -0.0022 171 TYR 24 CE1 0.0052 -0.0174 -0.0031 172 TYR 24 CE2 -0.0056 -0.0177 -0.0048 173 TYR 24 CZ 0.0009 -0.0205 -0.0050 174 TYR 24 OH 0.0009 -0.0265 -0.0074 175 GLY 25 N -0.0054 0.0024 0.0075 176 GLY 25 CA -0.0062 0.0038 0.0096 177 GLY 25 C -0.0071 0.0046 0.0078 178 GLY 25 O -0.0070 0.0046 0.0082 179 ALA 26 N -0.0086 0.0063 0.0056 180 ALA 26 CA -0.0096 0.0073 0.0040 181 ALA 26 C -0.0087 0.0057 0.0018 182 ALA 26 O -0.0088 0.0057 0.0011 183 ALA 26 CB -0.0111 0.0089 0.0016 184 GLU 27 N -0.0074 0.0036 0.0002 185 GLU 27 CA -0.0062 0.0016 -0.0016 186 GLU 27 C -0.0049 0.0002 0.0004 187 GLU 27 O -0.0048 -0.0001 -0.0007 188 GLU 27 CB -0.0052 0.0000 -0.0031 189 GLU 27 CG -0.0039 -0.0021 -0.0050 190 GLU 27 CD -0.0027 -0.0041 -0.0070 191 GLU 27 OE1 -0.0012 -0.0061 -0.0072 192 GLU 27 OE2 -0.0034 -0.0033 -0.0075 193 ALA 28 N -0.0049 -0.0001 -0.0055 194 ALA 28 CA -0.0042 -0.0013 -0.0043 195 ALA 28 C -0.0044 -0.0015 -0.0036 196 ALA 28 O -0.0037 -0.0023 -0.0032 197 ALA 28 CB -0.0046 -0.0017 -0.0030 198 LEU 29 N -0.0059 -0.0004 -0.0032 199 LEU 29 CA -0.0063 -0.0004 -0.0026 200 LEU 29 C -0.0056 -0.0004 -0.0038 201 LEU 29 O -0.0051 -0.0010 -0.0033 202 LEU 29 CB -0.0081 0.0009 -0.0020 203 LEU 29 CG -0.0088 0.0008 -0.0007 204 LEU 29 CD1 -0.0103 0.0022 -0.0008 205 LEU 29 CD2 -0.0087 -0.0000 0.0008 206 GLU 30 N -0.0056 0.0005 -0.0054 207 GLU 30 CA -0.0048 0.0004 -0.0066 208 GLU 30 C -0.0033 -0.0009 -0.0067 209 GLU 30 O -0.0027 -0.0013 -0.0069 210 GLU 30 CB -0.0051 0.0014 -0.0081 211 GLU 30 CG -0.0043 0.0012 -0.0092 212 GLU 30 CD -0.0049 0.0028 -0.0112 213 GLU 30 OE1 -0.0053 0.0032 -0.0112 214 GLU 30 OE2 -0.0048 0.0030 -0.0119 215 ARG 31 N 0.0011 -0.0012 -0.0111 216 ARG 31 CA 0.0009 -0.0002 -0.0109 217 ARG 31 C 0.0009 0.0001 -0.0111 218 ARG 31 O 0.0007 0.0005 -0.0105 219 ARG 31 CB 0.0008 0.0005 -0.0113 220 ARG 31 CG 0.0008 0.0003 -0.0108 221 ARG 31 CD 0.0008 0.0009 -0.0114 222 ARG 31 NE 0.0007 0.0010 -0.0110 223 ARG 31 CZ 0.0005 0.0013 -0.0102 224 ARG 31 NH1 0.0004 0.0018 -0.0097 225 ARG 31 NH2 0.0006 0.0011 -0.0100 226 MET 32 N 0.0010 -0.0002 -0.0119 227 MET 32 CA 0.0010 -0.0000 -0.0122 228 MET 32 C 0.0010 -0.0005 -0.0116 229 MET 32 O 0.0009 -0.0000 -0.0113 230 MET 32 CB 0.0012 -0.0003 -0.0132 231 MET 32 CG 0.0012 -0.0001 -0.0137 232 MET 32 SD 0.0014 -0.0006 -0.0148 233 MET 32 CE 0.0016 -0.0017 -0.0144 234 PHE 33 N 0.0011 -0.0013 -0.0114 235 PHE 33 CA 0.0012 -0.0018 -0.0107 236 PHE 33 C 0.0010 -0.0015 -0.0098 237 PHE 33 O 0.0009 -0.0014 -0.0094 238 PHE 33 CB 0.0013 -0.0028 -0.0106 239 PHE 33 CG 0.0015 -0.0033 -0.0115 240 PHE 33 CD1 0.0016 -0.0032 -0.0122 241 PHE 33 CD2 0.0017 -0.0040 -0.0116 242 PHE 33 CE1 0.0018 -0.0038 -0.0130 243 PHE 33 CE2 0.0019 -0.0045 -0.0126 244 PHE 33 CZ 0.0019 -0.0044 -0.0131 245 LEU 34 N 0.0076 -0.0006 -0.0093 246 LEU 34 CA 0.0067 -0.0005 -0.0088 247 LEU 34 C 0.0062 0.0004 -0.0090 248 LEU 34 O 0.0055 0.0007 -0.0088 249 LEU 34 CB 0.0065 -0.0011 -0.0082 250 LEU 34 CG 0.0066 -0.0019 -0.0077 251 LEU 34 CD1 0.0066 -0.0027 -0.0071 252 LEU 34 CD2 0.0066 -0.0019 -0.0077 253 SER 35 N 0.0065 0.0006 -0.0094 254 SER 35 CA 0.0059 0.0012 -0.0094 255 SER 35 C 0.0060 0.0020 -0.0101 256 SER 35 O 0.0054 0.0027 -0.0102 257 SER 35 CB 0.0062 0.0013 -0.0096 258 SER 35 OG 0.0058 0.0007 -0.0090 259 PHE 36 N 0.0067 0.0020 -0.0105 260 PHE 36 CA 0.0070 0.0026 -0.0112 261 PHE 36 C 0.0074 0.0024 -0.0113 262 PHE 36 O 0.0082 0.0022 -0.0118 263 PHE 36 CB 0.0075 0.0028 -0.0117 264 PHE 36 CG 0.0073 0.0029 -0.0117 265 PHE 36 CD1 0.0075 0.0023 -0.0114 266 PHE 36 CD2 0.0065 0.0037 -0.0117 267 PHE 36 CE1 0.0072 0.0025 -0.0113 268 PHE 36 CE2 0.0062 0.0038 -0.0115 269 PHE 36 CZ 0.0065 0.0031 -0.0112 270 PRO 37 N 0.0059 0.0114 -0.0091 271 PRO 37 CA 0.0039 0.0092 -0.0081 272 PRO 37 C 0.0036 0.0088 -0.0077 273 PRO 37 O 0.0021 0.0068 -0.0078 274 PRO 37 CB 0.0034 0.0091 -0.0055 275 PRO 37 CG 0.0049 0.0112 -0.0049 276 PRO 37 CD 0.0064 0.0125 -0.0076 277 THR 38 N 0.0049 0.0105 -0.0075 278 THR 38 CA 0.0044 0.0100 -0.0071 279 THR 38 C 0.0038 0.0086 -0.0096 280 THR 38 O 0.0031 0.0076 -0.0097 281 THR 38 CB 0.0061 0.0122 -0.0068 282 THR 38 OG1 0.0075 0.0136 -0.0086 283 THR 38 CG2 0.0062 0.0132 -0.0039 284 THR 39 N 0.0044 0.0086 -0.0121 285 THR 39 CA 0.0039 0.0073 -0.0145 286 THR 39 C 0.0019 0.0048 -0.0143 287 THR 39 O 0.0013 0.0037 -0.0159 288 THR 39 CB 0.0049 0.0080 -0.0168 289 THR 39 OG1 0.0046 0.0076 -0.0170 290 THR 39 CG2 0.0068 0.0104 -0.0174 291 LYS 40 N 0.0028 0.0035 -0.0140 292 LYS 40 CA 0.0003 0.0016 -0.0142 293 LYS 40 C -0.0016 -0.0002 -0.0122 294 LYS 40 O -0.0037 -0.0018 -0.0123 295 LYS 40 CB 0.0002 0.0012 -0.0123 296 LYS 40 CG 0.0013 0.0024 -0.0145 297 LYS 40 CD 0.0010 0.0020 -0.0132 298 LYS 40 CE 0.0025 0.0028 -0.0105 299 LYS 40 NZ 0.0024 0.0026 -0.0092 300 THR 41 N -0.0003 0.0006 -0.0102 301 THR 41 CA -0.0017 -0.0008 -0.0082 302 THR 41 C -0.0033 -0.0017 -0.0103 303 THR 41 O -0.0051 -0.0033 -0.0094 304 THR 41 CB 0.0002 0.0004 -0.0059 305 THR 41 OG1 0.0016 0.0018 -0.0076 306 THR 41 CG2 0.0014 0.0011 -0.0035 307 TYR 42 N -0.0030 -0.0011 -0.0134 308 TYR 42 CA -0.0045 -0.0021 -0.0153 309 TYR 42 C -0.0070 -0.0038 -0.0173 310 TYR 42 O -0.0084 -0.0047 -0.0191 311 TYR 42 CB -0.0030 -0.0005 -0.0180 312 TYR 42 CG -0.0012 0.0006 -0.0163 313 TYR 42 CD1 -0.0019 0.0000 -0.0157 314 TYR 42 CD2 0.0014 0.0025 -0.0153 315 TYR 42 CE1 0.0000 0.0013 -0.0139 316 TYR 42 CE2 0.0030 0.0037 -0.0139 317 TYR 42 CZ 0.0023 0.0030 -0.0132 318 TYR 42 OH 0.0041 0.0042 -0.0117 319 PHE 43 N -0.0026 -0.0177 -0.0264 320 PHE 43 CA -0.0013 -0.0210 -0.0241 321 PHE 43 C 0.0006 -0.0249 -0.0202 322 PHE 43 O 0.0015 -0.0256 -0.0163 323 PHE 43 CB -0.0019 -0.0178 -0.0224 324 PHE 43 CG -0.0037 -0.0145 -0.0272 325 PHE 43 CD1 -0.0054 -0.0092 -0.0282 326 PHE 43 CD2 -0.0039 -0.0158 -0.0306 327 PHE 43 CE1 -0.0069 -0.0065 -0.0321 328 PHE 43 CE2 -0.0056 -0.0129 -0.0351 329 PHE 43 CZ -0.0071 -0.0077 -0.0351 330 PRO 44 N 0.0012 -0.0274 -0.0208 331 PRO 44 CA 0.0029 -0.0303 -0.0161 332 PRO 44 C 0.0047 -0.0366 -0.0164 333 PRO 44 O 0.0060 -0.0388 -0.0123 334 PRO 44 CB 0.0031 -0.0321 -0.0179 335 PRO 44 CG 0.0021 -0.0325 -0.0241 336 PRO 44 CD 0.0004 -0.0276 -0.0253 337 HIS 45 N 0.0041 -0.0374 -0.0204 338 HIS 45 CA 0.0054 -0.0420 -0.0211 339 HIS 45 C 0.0056 -0.0414 -0.0190 340 HIS 45 O 0.0064 -0.0445 -0.0196 341 HIS 45 CB 0.0048 -0.0437 -0.0266 342 HIS 45 CG 0.0030 -0.0405 -0.0320 343 HIS 45 ND1 0.0015 -0.0350 -0.0312 344 HIS 45 CD2 0.0024 -0.0404 -0.0347 345 HIS 45 CE1 -0.0000 -0.0325 -0.0354 346 HIS 45 NE2 0.0006 -0.0360 -0.0375 347 PHE 46 N 0.0094 -0.0131 -0.0320 348 PHE 46 CA 0.0093 -0.0112 -0.0273 349 PHE 46 C 0.0119 -0.0104 -0.0294 350 PHE 46 O 0.0111 -0.0126 -0.0334 351 PHE 46 CB 0.0032 -0.0137 -0.0244 352 PHE 46 CG 0.0018 -0.0131 -0.0207 353 PHE 46 CD1 -0.0026 -0.0137 -0.0158 354 PHE 46 CD2 0.0031 -0.0119 -0.0201 355 PHE 46 CE1 -0.0048 -0.0135 -0.0122 356 PHE 46 CE2 0.0013 -0.0113 -0.0159 357 PHE 46 CZ -0.0029 -0.0122 -0.0117 358 ASP 47 N 0.0139 -0.0072 -0.0246 359 ASP 47 CA 0.0146 -0.0070 -0.0253 360 ASP 47 C 0.0087 -0.0093 -0.0220 361 ASP 47 O 0.0074 -0.0082 -0.0173 362 ASP 47 CB 0.0186 -0.0027 -0.0207 363 ASP 47 CG 0.0197 -0.0023 -0.0215 364 ASP 47 OD1 0.0178 -0.0044 -0.0238 365 ASP 47 OD2 0.0218 0.0007 -0.0172 366 LEU 48 N 0.0071 -0.0118 -0.0255 367 LEU 48 CA 0.0024 -0.0139 -0.0238 368 LEU 48 C 0.0021 -0.0138 -0.0231 369 LEU 48 O -0.0019 -0.0154 -0.0209 370 LEU 48 CB -0.0016 -0.0184 -0.0284 371 LEU 48 CG -0.0031 -0.0192 -0.0283 372 LEU 48 CD1 -0.0060 -0.0235 -0.0342 373 LEU 48 CD2 -0.0054 -0.0190 -0.0244 374 SER 49 N -0.0051 -0.0190 -0.0457 375 SER 49 CA -0.0062 -0.0209 -0.0494 376 SER 49 C -0.0123 -0.0292 -0.0286 377 SER 49 O -0.0109 -0.0263 -0.0091 378 SER 49 CB 0.0036 -0.0065 -0.0618 379 SER 49 OG 0.0103 0.0041 -0.0497 380 HIS 50 N -0.0200 -0.0408 -0.0309 381 HIS 50 CA -0.0241 -0.0462 -0.0090 382 HIS 50 C -0.0172 -0.0351 0.0076 383 HIS 50 O -0.0075 -0.0207 -0.0006 384 HIS 50 CB -0.0311 -0.0570 -0.0161 385 HIS 50 CG -0.0349 -0.0619 0.0027 386 HIS 50 ND1 -0.0458 -0.0779 0.0131 387 HIS 50 CD2 -0.0364 -0.0641 0.0039 388 HIS 50 CE1 -0.0477 -0.0800 0.0310 389 HIS 50 NE2 -0.0404 -0.0692 0.0262 390 GLY 51 N -0.0167 -0.0336 0.0226 391 GLY 51 CA -0.0105 -0.0236 0.0423 392 GLY 51 C 0.0008 -0.0064 0.0450 393 GLY 51 O 0.0077 0.0045 0.0559 394 SER 52 N 0.0004 -0.0021 0.0309 395 SER 52 CA 0.0095 -0.0013 0.0269 396 SER 52 C 0.0088 -0.0009 0.0306 397 SER 52 O 0.0028 -0.0016 0.0315 398 SER 52 CB 0.0097 -0.0026 0.0163 399 SER 52 OG 0.0050 -0.0038 0.0124 400 ALA 53 N 0.0180 0.0005 0.0315 401 ALA 53 CA 0.0181 0.0010 0.0349 402 ALA 53 C 0.0150 -0.0004 0.0275 403 ALA 53 O 0.0110 -0.0006 0.0302 404 ALA 53 CB 0.0296 0.0026 0.0350 405 GLN 54 N 0.0147 -0.0017 0.0177 406 GLN 54 CA 0.0117 -0.0030 0.0110 407 GLN 54 C -0.0001 -0.0045 0.0127 408 GLN 54 O -0.0028 -0.0051 0.0107 409 GLN 54 CB 0.0137 -0.0041 0.0007 410 GLN 54 CG 0.0239 -0.0030 -0.0022 411 GLN 54 CD 0.0267 -0.0036 -0.0100 412 GLN 54 OE1 0.0277 -0.0035 -0.0101 413 GLN 54 NE2 0.0337 -0.0035 -0.0166 414 VAL 55 N -0.0042 -0.0028 0.0049 415 VAL 55 CA -0.0128 -0.0034 0.0064 416 VAL 55 C -0.0159 -0.0024 0.0131 417 VAL 55 O -0.0208 -0.0027 0.0138 418 VAL 55 CB -0.0149 -0.0037 0.0058 419 VAL 55 CG1 -0.0233 -0.0041 0.0083 420 VAL 55 CG2 -0.0140 -0.0052 -0.0020 421 LYS 56 N -0.0116 -0.0006 0.0198 422 LYS 56 CA -0.0127 0.0006 0.0261 423 LYS 56 C -0.0143 0.0002 0.0251 424 LYS 56 O -0.0179 0.0005 0.0283 425 LYS 56 CB -0.0088 0.0025 0.0336 426 LYS 56 CG -0.0104 0.0025 0.0341 427 LYS 56 CD -0.0052 0.0051 0.0445 428 LYS 56 CE -0.0059 0.0055 0.0468 429 LYS 56 NZ -0.0017 0.0076 0.0548 430 GLY 57 N -0.0065 0.0004 0.0219 431 GLY 57 CA -0.0058 0.0001 0.0201 432 GLY 57 C -0.0125 -0.0017 0.0145 433 GLY 57 O -0.0152 -0.0014 0.0174 434 HIS 58 N -0.0151 0.0074 0.0157 435 HIS 58 CA -0.0155 0.0056 0.0165 436 HIS 58 C -0.0152 0.0062 0.0162 437 HIS 58 O -0.0167 0.0055 0.0168 438 HIS 58 CB -0.0138 0.0039 0.0167 439 HIS 58 CG -0.0146 0.0018 0.0177 440 HIS 58 ND1 -0.0166 0.0010 0.0184 441 HIS 58 CD2 -0.0133 0.0005 0.0178 442 HIS 58 CE1 -0.0162 -0.0005 0.0189 443 HIS 58 NE2 -0.0145 -0.0009 0.0186 444 GLY 59 N -0.0137 0.0073 0.0154 445 GLY 59 CA -0.0136 0.0080 0.0151 446 GLY 59 C -0.0152 0.0091 0.0151 447 GLY 59 O -0.0162 0.0089 0.0154 448 LYS 60 N -0.0165 0.0105 0.0149 449 LYS 60 CA -0.0186 0.0114 0.0150 450 LYS 60 C -0.0203 0.0104 0.0158 451 LYS 60 O -0.0215 0.0105 0.0161 452 LYS 60 CB -0.0193 0.0134 0.0145 453 LYS 60 CG -0.0212 0.0145 0.0146 454 LYS 60 CD -0.0214 0.0160 0.0140 455 LYS 60 CE -0.0241 0.0174 0.0142 456 LYS 60 NZ -0.0229 0.0194 0.0132 457 LYS 61 N -0.0187 0.0108 0.0196 458 LYS 61 CA -0.0174 0.0115 0.0235 459 LYS 61 C -0.0099 0.0126 0.0270 460 LYS 61 O -0.0080 0.0127 0.0263 461 LYS 61 CB -0.0215 0.0121 0.0303 462 LYS 61 CG -0.0294 0.0114 0.0294 463 LYS 61 CD -0.0336 0.0119 0.0353 464 LYS 61 CE -0.0376 0.0115 0.0351 465 LYS 61 NZ -0.0434 0.0119 0.0412 466 VAL 62 N -0.0081 0.0128 0.0273 467 VAL 62 CA -0.0006 0.0138 0.0296 468 VAL 62 C 0.0048 0.0133 0.0235 469 VAL 62 O 0.0079 0.0138 0.0252 470 VAL 62 CB 0.0010 0.0141 0.0313 471 VAL 62 CG1 0.0080 0.0150 0.0334 472 VAL 62 CG2 -0.0022 0.0149 0.0381 473 ALA 63 N 0.0020 0.0124 0.0186 474 ALA 63 CA 0.0063 0.0119 0.0128 475 ALA 63 C 0.0052 0.0114 0.0103 476 ALA 63 O 0.0101 0.0117 0.0094 477 ALA 63 CB 0.0048 0.0109 0.0074 478 ASP 64 N 0.0053 0.0144 0.0125 479 ASP 64 CA 0.0067 0.0142 0.0113 480 ASP 64 C 0.0088 0.0156 0.0126 481 ASP 64 O 0.0109 0.0156 0.0113 482 ASP 64 CB 0.0036 0.0132 0.0115 483 ASP 64 CG 0.0012 0.0106 0.0082 484 ASP 64 OD1 0.0028 0.0106 0.0071 485 ASP 64 OD2 -0.0014 0.0103 0.0093 486 ALA 65 N 0.0080 0.0171 0.0159 487 ALA 65 CA 0.0106 0.0187 0.0171 488 ALA 65 C 0.0141 0.0196 0.0165 489 ALA 65 O 0.0161 0.0201 0.0162 490 ALA 65 CB 0.0095 0.0203 0.0207 491 LEU 66 N 0.0138 0.0192 0.0160 492 LEU 66 CA 0.0171 0.0199 0.0152 493 LEU 66 C 0.0183 0.0186 0.0121 494 LEU 66 O 0.0213 0.0193 0.0114 495 LEU 66 CB 0.0167 0.0199 0.0155 496 LEU 66 CG 0.0162 0.0215 0.0187 497 LEU 66 CD1 0.0153 0.0212 0.0186 498 LEU 66 CD2 0.0186 0.0233 0.0205 499 THR 67 N 0.0161 0.0213 0.0092 500 THR 67 CA 0.0154 0.0223 0.0100 501 THR 67 C 0.0140 0.0219 0.0098 502 THR 67 O 0.0125 0.0221 0.0101 503 THR 67 CB 0.0163 0.0234 0.0106 504 THR 67 OG1 0.0171 0.0238 0.0108 505 THR 67 CG2 0.0153 0.0241 0.0112 506 ASN 68 N 0.0144 0.0210 0.0092 507 ASN 68 CA 0.0132 0.0205 0.0089 508 ASN 68 C 0.0121 0.0197 0.0085 509 ASN 68 O 0.0106 0.0198 0.0087 510 ASN 68 CB 0.0139 0.0196 0.0083 511 ASN 68 CG 0.0128 0.0188 0.0079 512 ASN 68 OD1 0.0119 0.0193 0.0083 513 ASN 68 ND2 0.0132 0.0178 0.0071 514 ALA 69 N 0.0124 0.0190 0.0080 515 ALA 69 CA 0.0112 0.0182 0.0076 516 ALA 69 C 0.0102 0.0192 0.0083 517 ALA 69 O 0.0091 0.0189 0.0083 518 ALA 69 CB 0.0120 0.0176 0.0071 519 VAL 70 N 0.0146 0.0186 0.0029 520 VAL 70 CA 0.0117 0.0193 0.0055 521 VAL 70 C 0.0088 0.0214 0.0089 522 VAL 70 O 0.0053 0.0200 0.0106 523 VAL 70 CB 0.0142 0.0218 0.0053 524 VAL 70 CG1 0.0126 0.0237 0.0077 525 VAL 70 CG2 0.0167 0.0196 0.0020 526 ALA 71 N 0.0100 0.0240 0.0098 527 ALA 71 CA 0.0072 0.0260 0.0132 528 ALA 71 C 0.0048 0.0230 0.0129 529 ALA 71 O 0.0011 0.0237 0.0161 530 ALA 71 CB 0.0099 0.0288 0.0131 531 HIS 72 N 0.0046 0.0195 0.0107 532 HIS 72 CA 0.0019 0.0167 0.0109 533 HIS 72 C 0.0006 0.0127 0.0092 534 HIS 72 O 0.0004 0.0093 0.0070 535 HIS 72 CB 0.0035 0.0159 0.0092 536 HIS 72 CG 0.0046 0.0200 0.0111 537 HIS 72 ND1 0.0023 0.0222 0.0142 538 HIS 72 CD2 0.0078 0.0236 0.0112 539 HIS 72 CE1 0.0030 0.0265 0.0165 540 HIS 72 NE2 0.0073 0.0277 0.0142 541 VAL 73 N -0.0013 0.0188 0.0031 542 VAL 73 CA -0.0027 0.0161 0.0011 543 VAL 73 C -0.0048 0.0142 0.0004 544 VAL 73 O -0.0057 0.0118 -0.0017 545 VAL 73 CB -0.0033 0.0167 0.0021 546 VAL 73 CG1 -0.0056 0.0178 0.0050 547 VAL 73 CG2 -0.0023 0.0154 -0.0000 548 ASP 74 N -0.0070 0.0149 0.0028 549 ASP 74 CA -0.0102 0.0126 0.0024 550 ASP 74 C -0.0082 0.0120 0.0003 551 ASP 74 O -0.0109 0.0100 0.0000 552 ASP 74 CB -0.0123 0.0139 0.0054 553 ASP 74 CG -0.0145 0.0144 0.0075 554 ASP 74 OD1 -0.0152 0.0134 0.0069 555 ASP 74 OD2 -0.0139 0.0175 0.0105 556 ASP 75 N -0.0062 0.0127 -0.0003 557 ASP 75 CA -0.0048 0.0116 -0.0026 558 ASP 75 C -0.0008 0.0127 -0.0041 559 ASP 75 O 0.0013 0.0136 -0.0046 560 ASP 75 CB -0.0036 0.0148 0.0002 561 ASP 75 CG -0.0047 0.0136 -0.0003 562 ASP 75 OD1 -0.0061 0.0116 -0.0016 563 ASP 75 OD2 -0.0016 0.0160 0.0001 564 MET 76 N -0.0025 0.0133 -0.0066 565 MET 76 CA -0.0025 0.0122 -0.0050 566 MET 76 C -0.0021 0.0119 -0.0059 567 MET 76 O -0.0015 0.0104 -0.0054 568 MET 76 CB -0.0037 0.0138 -0.0037 569 MET 76 CG -0.0038 0.0134 -0.0025 570 MET 76 SD -0.0050 0.0146 -0.0000 571 MET 76 CE -0.0059 0.0164 -0.0001 572 PRO 77 N -0.0022 0.0129 -0.0073 573 PRO 77 CA -0.0015 0.0122 -0.0084 574 PRO 77 C -0.0006 0.0106 -0.0088 575 PRO 77 O -0.0001 0.0094 -0.0086 576 PRO 77 CB -0.0018 0.0138 -0.0102 577 PRO 77 CG -0.0028 0.0153 -0.0092 578 PRO 77 CD -0.0029 0.0148 -0.0080 579 ASN 78 N -0.0000 0.0099 -0.0099 580 ASN 78 CA 0.0010 0.0084 -0.0107 581 ASN 78 C 0.0012 0.0069 -0.0090 582 ASN 78 O 0.0018 0.0053 -0.0085 583 ASN 78 CB 0.0017 0.0079 -0.0123 584 ASN 78 CG 0.0018 0.0082 -0.0135 585 ASN 78 OD1 0.0010 0.0108 -0.0150 586 ASN 78 ND2 0.0022 0.0081 -0.0146 587 ALA 79 N -0.0017 0.0072 -0.0063 588 ALA 79 CA -0.0016 0.0059 -0.0045 589 ALA 79 C -0.0012 0.0036 -0.0009 590 ALA 79 O -0.0013 0.0010 -0.0003 591 ALA 79 CB -0.0012 0.0085 -0.0041 592 LEU 80 N -0.0007 0.0051 0.0008 593 LEU 80 CA -0.0002 0.0039 0.0045 594 LEU 80 C -0.0006 0.0012 0.0039 595 LEU 80 O -0.0001 0.0006 0.0066 596 LEU 80 CB 0.0006 0.0067 0.0069 597 LEU 80 CG 0.0009 0.0089 0.0075 598 LEU 80 CD1 0.0016 0.0117 0.0096 599 LEU 80 CD2 0.0009 0.0062 0.0092 600 SER 81 N -0.0012 0.0002 0.0007 601 SER 81 CA -0.0013 -0.0012 0.0009 602 SER 81 C -0.0014 -0.0045 0.0027 603 SER 81 O -0.0011 -0.0053 0.0047 604 SER 81 CB -0.0024 -0.0028 -0.0039 605 SER 81 OG -0.0024 -0.0034 -0.0036 606 ALA 82 N -0.0033 -0.0090 0.0045 607 ALA 82 CA 0.0001 -0.0130 0.0065 608 ALA 82 C -0.0011 -0.0116 0.0096 609 ALA 82 O 0.0005 -0.0134 0.0100 610 ALA 82 CB 0.0032 -0.0166 0.0096 611 LEU 83 N -0.0035 -0.0089 0.0144 612 LEU 83 CA -0.0042 -0.0081 0.0186 613 LEU 83 C -0.0072 -0.0047 0.0163 614 LEU 83 O -0.0069 -0.0050 0.0176 615 LEU 83 CB -0.0068 -0.0052 0.0236 616 LEU 83 CG -0.0061 -0.0061 0.0289 617 LEU 83 CD1 -0.0016 -0.0113 0.0298 618 LEU 83 CD2 -0.0067 -0.0054 0.0335 619 SER 84 N -0.0095 -0.0019 0.0120 620 SER 84 CA -0.0115 0.0004 0.0091 621 SER 84 C -0.0090 -0.0024 0.0051 622 SER 84 O -0.0100 -0.0013 0.0051 623 SER 84 CB -0.0152 0.0048 0.0037 624 SER 84 OG -0.0145 0.0039 0.0033 625 ASP 85 N -0.0076 -0.0060 0.0041 626 ASP 85 CA -0.0050 -0.0072 0.0006 627 ASP 85 C -0.0031 -0.0083 0.0023 628 ASP 85 O -0.0032 -0.0082 0.0009 629 ASP 85 CB -0.0020 -0.0088 -0.0001 630 ASP 85 CG -0.0039 -0.0076 -0.0030 631 ASP 85 OD1 -0.0050 -0.0070 -0.0049 632 ASP 85 OD2 -0.0011 -0.0091 -0.0033 633 LEU 86 N -0.0022 -0.0090 0.0066 634 LEU 86 CA -0.0005 -0.0100 0.0085 635 LEU 86 C -0.0027 -0.0088 0.0087 636 LEU 86 O -0.0017 -0.0094 0.0082 637 LEU 86 CB 0.0006 -0.0108 0.0130 638 LEU 86 CG 0.0020 -0.0117 0.0151 639 LEU 86 CD1 0.0059 -0.0138 0.0142 640 LEU 86 CD2 0.0027 -0.0123 0.0201 641 HIS 87 N -0.0064 -0.0069 0.0099 642 HIS 87 CA -0.0084 -0.0058 0.0106 643 HIS 87 C -0.0096 -0.0049 0.0058 644 HIS 87 O -0.0098 -0.0049 0.0057 645 HIS 87 CB -0.0123 -0.0038 0.0127 646 HIS 87 CG -0.0114 -0.0046 0.0174 647 HIS 87 ND1 -0.0099 -0.0054 0.0190 648 HIS 87 CD2 -0.0118 -0.0045 0.0207 649 HIS 87 CE1 -0.0094 -0.0059 0.0229 650 HIS 87 NE2 -0.0107 -0.0052 0.0242 651 ALA 88 N -0.0109 -0.0059 0.0035 652 ALA 88 CA -0.0120 -0.0055 -0.0005 653 ALA 88 C -0.0086 -0.0071 -0.0026 654 ALA 88 O -0.0095 -0.0068 -0.0047 655 ALA 88 CB -0.0139 -0.0047 -0.0028 656 HIS 89 N -0.0060 -0.0083 -0.0021 657 HIS 89 CA -0.0031 -0.0097 -0.0043 658 HIS 89 C -0.0005 -0.0109 -0.0031 659 HIS 89 O 0.0013 -0.0118 -0.0049 660 HIS 89 CB -0.0015 -0.0105 -0.0059 661 HIS 89 CG -0.0038 -0.0095 -0.0082 662 HIS 89 ND1 -0.0061 -0.0085 -0.0110 663 HIS 89 CD2 -0.0049 -0.0090 -0.0080 664 HIS 89 CE1 -0.0089 -0.0072 -0.0124 665 HIS 89 NE2 -0.0072 -0.0080 -0.0105 666 LYS 90 N 0.0001 -0.0111 0.0005 667 LYS 90 CA 0.0019 -0.0119 0.0026 668 LYS 90 C 0.0012 -0.0115 0.0049 669 LYS 90 O 0.0012 -0.0115 0.0041 670 LYS 90 CB 0.0046 -0.0130 0.0051 671 LYS 90 CG 0.0069 -0.0142 0.0020 672 LYS 90 CD 0.0087 -0.0150 -0.0004 673 LYS 90 CE 0.0117 -0.0164 -0.0004 674 LYS 90 NZ 0.0126 -0.0170 -0.0063 675 LEU 91 N -0.0052 -0.0054 0.0032 676 LEU 91 CA -0.0056 -0.0053 0.0041 677 LEU 91 C -0.0066 -0.0049 0.0035 678 LEU 91 O -0.0065 -0.0049 0.0036 679 LEU 91 CB -0.0062 -0.0051 0.0055 680 LEU 91 CG -0.0052 -0.0054 0.0063 681 LEU 91 CD1 -0.0057 -0.0053 0.0074 682 LEU 91 CD2 -0.0042 -0.0058 0.0066 683 ARG 92 N -0.0074 -0.0046 0.0029 684 ARG 92 CA -0.0084 -0.0042 0.0020 685 ARG 92 C -0.0091 -0.0040 0.0027 686 ARG 92 O -0.0094 -0.0038 0.0023 687 ARG 92 CB -0.0076 -0.0045 0.0007 688 ARG 92 CG -0.0073 -0.0046 -0.0002 689 ARG 92 CD -0.0054 -0.0053 -0.0008 690 ARG 92 NE -0.0064 -0.0049 -0.0014 691 ARG 92 CZ -0.0043 -0.0057 -0.0023 692 ARG 92 NH1 -0.0037 -0.0059 -0.0011 693 ARG 92 NH2 -0.0046 -0.0055 -0.0031 694 VAL 93 N -0.0096 -0.0038 0.0037 695 VAL 93 CA -0.0105 -0.0035 0.0046 696 VAL 93 C -0.0116 -0.0031 0.0040 697 VAL 93 O -0.0123 -0.0028 0.0037 698 VAL 93 CB -0.0106 -0.0035 0.0059 699 VAL 93 CG1 -0.0115 -0.0032 0.0067 700 VAL 93 CG2 -0.0093 -0.0040 0.0066 701 ASP 94 N -0.0084 0.0015 0.0026 702 ASP 94 CA -0.0083 -0.0005 0.0029 703 ASP 94 C -0.0088 0.0003 0.0030 704 ASP 94 O -0.0081 0.0017 0.0023 705 ASP 94 CB -0.0064 -0.0014 0.0019 706 ASP 94 CG -0.0065 -0.0035 0.0023 707 ASP 94 OD1 -0.0067 -0.0051 0.0027 708 ASP 94 OD2 -0.0064 -0.0036 0.0023 709 PRO 95 N -0.0097 -0.0008 0.0037 710 PRO 95 CA -0.0104 -0.0002 0.0040 711 PRO 95 C -0.0088 -0.0000 0.0031 712 PRO 95 O -0.0090 0.0012 0.0030 713 PRO 95 CB -0.0112 -0.0019 0.0048 714 PRO 95 CG -0.0123 -0.0025 0.0056 715 PRO 95 CD -0.0109 -0.0024 0.0047 716 VAL 96 N -0.0071 -0.0010 0.0023 717 VAL 96 CA -0.0058 -0.0007 0.0014 718 VAL 96 C -0.0053 0.0014 0.0007 719 VAL 96 O -0.0046 0.0022 0.0002 720 VAL 96 CB -0.0040 -0.0024 0.0007 721 VAL 96 CG1 -0.0030 -0.0020 0.0000 722 VAL 96 CG2 -0.0033 -0.0024 0.0003 723 ASN 97 N -0.0035 -0.0007 -0.0011 724 ASN 97 CA -0.0025 0.0037 -0.0040 725 ASN 97 C -0.0048 0.0064 -0.0021 726 ASN 97 O -0.0035 0.0088 -0.0047 727 ASN 97 CB -0.0032 0.0076 -0.0046 728 ASN 97 CG -0.0009 0.0056 -0.0067 729 ASN 97 OD1 0.0017 0.0058 -0.0101 730 ASN 97 ND2 -0.0025 0.0035 -0.0039 731 PHE 98 N -0.0072 0.0049 0.0015 732 PHE 98 CA -0.0092 0.0067 0.0033 733 PHE 98 C -0.0072 0.0049 0.0014 734 PHE 98 O -0.0073 0.0078 0.0004 735 PHE 98 CB -0.0126 0.0058 0.0079 736 PHE 98 CG -0.0145 0.0082 0.0094 737 PHE 98 CD1 -0.0167 0.0123 0.0106 738 PHE 98 CD2 -0.0144 0.0065 0.0099 739 PHE 98 CE1 -0.0186 0.0146 0.0121 740 PHE 98 CE2 -0.0165 0.0096 0.0114 741 PHE 98 CZ -0.0183 0.0132 0.0123 742 LYS 99 N -0.0051 0.0006 0.0004 743 LYS 99 CA -0.0027 -0.0011 -0.0019 744 LYS 99 C -0.0003 0.0009 -0.0057 745 LYS 99 O 0.0002 0.0021 -0.0067 746 LYS 99 CB -0.0015 -0.0069 -0.0012 747 LYS 99 CG -0.0030 -0.0092 0.0015 748 LYS 99 CD -0.0027 -0.0127 0.0024 749 LYS 99 CE -0.0004 -0.0170 0.0012 750 LYS 99 NZ -0.0024 -0.0232 0.0059 751 LEU 100 N -0.0025 0.0020 -0.0086 752 LEU 100 CA -0.0016 0.0027 -0.0099 753 LEU 100 C -0.0020 0.0044 -0.0098 754 LEU 100 O -0.0016 0.0049 -0.0106 755 LEU 100 CB -0.0010 0.0027 -0.0106 756 LEU 100 CG -0.0007 0.0011 -0.0105 757 LEU 100 CD1 -0.0000 0.0012 -0.0113 758 LEU 100 CD2 0.0003 0.0002 -0.0113 759 LEU 101 N -0.0029 0.0053 -0.0091 760 LEU 101 CA -0.0034 0.0069 -0.0090 761 LEU 101 C -0.0039 0.0069 -0.0085 762 LEU 101 O -0.0037 0.0077 -0.0089 763 LEU 101 CB -0.0043 0.0075 -0.0082 764 LEU 101 CG -0.0049 0.0093 -0.0080 765 LEU 101 CD1 -0.0042 0.0105 -0.0091 766 LEU 101 CD2 -0.0059 0.0099 -0.0070 767 SER 102 N -0.0043 0.0055 -0.0076 768 SER 102 CA -0.0047 0.0054 -0.0071 769 SER 102 C -0.0037 0.0052 -0.0082 770 SER 102 O -0.0038 0.0060 -0.0083 771 SER 102 CB -0.0051 0.0039 -0.0062 772 SER 102 OG -0.0062 0.0041 -0.0051 773 HIS 103 N -0.0013 0.0024 -0.0056 774 HIS 103 CA -0.0014 0.0017 -0.0066 775 HIS 103 C -0.0013 0.0023 -0.0071 776 HIS 103 O -0.0014 0.0019 -0.0074 777 HIS 103 CB -0.0014 0.0011 -0.0076 778 HIS 103 CG -0.0014 0.0004 -0.0087 779 HIS 103 ND1 -0.0014 0.0009 -0.0100 780 HIS 103 CD2 -0.0014 -0.0008 -0.0087 781 HIS 103 CE1 -0.0014 -0.0001 -0.0106 782 HIS 103 NE2 -0.0014 -0.0011 -0.0099 783 CYS 104 N -0.0013 0.0036 -0.0075 784 CYS 104 CA -0.0013 0.0045 -0.0082 785 CYS 104 C -0.0013 0.0049 -0.0072 786 CYS 104 O -0.0013 0.0050 -0.0077 787 CYS 104 CB -0.0013 0.0057 -0.0089 788 CYS 104 SG -0.0013 0.0053 -0.0103 789 LEU 105 N -0.0013 0.0050 -0.0059 790 LEU 105 CA -0.0013 0.0052 -0.0051 791 LEU 105 C -0.0013 0.0039 -0.0048 792 LEU 105 O -0.0013 0.0041 -0.0049 793 LEU 105 CB -0.0013 0.0058 -0.0037 794 LEU 105 CG -0.0012 0.0070 -0.0033 795 LEU 105 CD1 -0.0012 0.0072 -0.0021 796 LEU 105 CD2 -0.0012 0.0078 -0.0034 797 LEU 106 N -0.0022 0.0004 -0.0074 798 LEU 106 CA -0.0025 0.0006 -0.0072 799 LEU 106 C -0.0026 0.0006 -0.0068 800 LEU 106 O -0.0027 0.0007 -0.0064 801 LEU 106 CB -0.0028 0.0008 -0.0075 802 LEU 106 CG -0.0030 0.0010 -0.0077 803 LEU 106 CD1 -0.0033 0.0012 -0.0080 804 LEU 106 CD2 -0.0030 0.0010 -0.0078 805 VAL 107 N -0.0025 0.0006 -0.0066 806 VAL 107 CA -0.0025 0.0005 -0.0062 807 VAL 107 C -0.0023 0.0003 -0.0059 808 VAL 107 O -0.0024 0.0004 -0.0055 809 VAL 107 CB -0.0025 0.0005 -0.0062 810 VAL 107 CG1 -0.0024 0.0004 -0.0058 811 VAL 107 CG2 -0.0028 0.0008 -0.0064 812 THR 108 N -0.0020 0.0001 -0.0061 813 THR 108 CA -0.0017 -0.0001 -0.0058 814 THR 108 C -0.0018 -0.0000 -0.0057 815 THR 108 O -0.0018 -0.0000 -0.0053 816 THR 108 CB -0.0013 -0.0004 -0.0061 817 THR 108 OG1 -0.0012 -0.0004 -0.0061 818 THR 108 CG2 -0.0011 -0.0006 -0.0058 819 LEU 109 N 0.0006 0.0003 -0.0066 820 LEU 109 CA 0.0010 -0.0007 -0.0055 821 LEU 109 C -0.0007 -0.0017 -0.0050 822 LEU 109 O -0.0006 -0.0029 -0.0040 823 LEU 109 CB 0.0018 -0.0001 -0.0059 824 LEU 109 CG 0.0037 0.0005 -0.0060 825 LEU 109 CD1 0.0041 0.0013 -0.0066 826 LEU 109 CD2 0.0046 0.0002 -0.0055 827 ALA 110 N -0.0020 -0.0011 -0.0059 828 ALA 110 CA -0.0034 -0.0020 -0.0054 829 ALA 110 C -0.0040 -0.0028 -0.0047 830 ALA 110 O -0.0047 -0.0040 -0.0039 831 ALA 110 CB -0.0048 -0.0011 -0.0065 832 ALA 111 N -0.0040 -0.0025 -0.0050 833 ALA 111 CA -0.0044 -0.0030 -0.0047 834 ALA 111 C -0.0034 -0.0042 -0.0034 835 ALA 111 O -0.0039 -0.0049 -0.0029 836 ALA 111 CB -0.0045 -0.0023 -0.0054 837 HIS 112 N -0.0038 -0.0111 -0.0022 838 HIS 112 CA -0.0026 -0.0135 -0.0022 839 HIS 112 C -0.0005 -0.0145 -0.0024 840 HIS 112 O -0.0000 -0.0169 -0.0023 841 HIS 112 CB -0.0012 -0.0128 -0.0024 842 HIS 112 CG -0.0031 -0.0123 -0.0022 843 HIS 112 ND1 -0.0036 -0.0146 -0.0021 844 HIS 112 CD2 -0.0041 -0.0101 -0.0022 845 HIS 112 CE1 -0.0056 -0.0131 -0.0019 846 HIS 112 NE2 -0.0060 -0.0104 -0.0020 847 LEU 113 N 0.0003 -0.0134 -0.0025 848 LEU 113 CA 0.0026 -0.0147 -0.0027 849 LEU 113 C 0.0016 -0.0149 -0.0026 850 LEU 113 O 0.0028 -0.0137 -0.0028 851 LEU 113 CB 0.0046 -0.0129 -0.0030 852 LEU 113 CG 0.0065 -0.0126 -0.0032 853 LEU 113 CD1 0.0093 -0.0111 -0.0035 854 LEU 113 CD2 0.0067 -0.0149 -0.0031 855 PRO 114 N -0.0004 -0.0162 -0.0023 856 PRO 114 CA -0.0018 -0.0163 -0.0022 857 PRO 114 C 0.0006 -0.0174 -0.0023 858 PRO 114 O 0.0009 -0.0160 -0.0025 859 PRO 114 CB -0.0033 -0.0186 -0.0019 860 PRO 114 CG -0.0028 -0.0201 -0.0019 861 PRO 114 CD -0.0014 -0.0180 -0.0021 862 ALA 115 N -0.0019 -0.0212 0.0042 863 ALA 115 CA -0.0011 -0.0217 0.0042 864 ALA 115 C 0.0008 -0.0191 0.0020 865 ALA 115 O 0.0008 -0.0182 0.0015 866 ALA 115 CB 0.0010 -0.0248 0.0053 867 GLU 116 N 0.0028 -0.0182 0.0007 868 GLU 116 CA 0.0055 -0.0162 -0.0014 869 GLU 116 C 0.0041 -0.0126 -0.0030 870 GLU 116 O 0.0057 -0.0108 -0.0047 871 GLU 116 CB 0.0085 -0.0169 -0.0020 872 GLU 116 CG 0.0108 -0.0199 -0.0011 873 GLU 116 CD 0.0088 -0.0220 0.0009 874 GLU 116 OE1 0.0065 -0.0219 0.0016 875 GLU 116 OE2 0.0105 -0.0252 0.0022 876 PHE 117 N 0.0015 -0.0117 -0.0027 877 PHE 117 CA -0.0001 -0.0087 -0.0039 878 PHE 117 C -0.0024 -0.0069 -0.0042 879 PHE 117 O -0.0051 -0.0057 -0.0039 880 PHE 117 CB -0.0017 -0.0080 -0.0037 881 PHE 117 CG -0.0022 -0.0047 -0.0055 882 PHE 117 CD1 0.0007 -0.0039 -0.0070 883 PHE 117 CD2 -0.0054 -0.0030 -0.0054 884 PHE 117 CE1 0.0001 -0.0010 -0.0085 885 PHE 117 CE2 -0.0057 0.0003 -0.0072 886 PHE 117 CZ -0.0029 0.0010 -0.0086 887 THR 118 N -0.0035 -0.0065 -0.0055 888 THR 118 CA -0.0031 -0.0056 -0.0054 889 THR 118 C -0.0030 -0.0054 -0.0050 890 THR 118 O -0.0033 -0.0059 -0.0051 891 THR 118 CB -0.0030 -0.0053 -0.0065 892 THR 118 OG1 -0.0032 -0.0056 -0.0072 893 THR 118 CG2 -0.0030 -0.0053 -0.0070 894 PRO 119 N -0.0026 -0.0046 -0.0049 895 PRO 119 CA -0.0025 -0.0043 -0.0045 896 PRO 119 C -0.0026 -0.0046 -0.0052 897 PRO 119 O -0.0028 -0.0049 -0.0049 898 PRO 119 CB -0.0020 -0.0033 -0.0044 899 PRO 119 CG -0.0019 -0.0032 -0.0041 900 PRO 119 CD -0.0023 -0.0039 -0.0047 901 ALA 120 N -0.0026 -0.0044 -0.0061 902 ALA 120 CA -0.0027 -0.0046 -0.0068 903 ALA 120 C -0.0032 -0.0056 -0.0070 904 ALA 120 O -0.0033 -0.0060 -0.0070 905 ALA 120 CB -0.0026 -0.0042 -0.0079 906 VAL 121 N -0.0013 -0.0049 -0.0082 907 VAL 121 CA -0.0015 -0.0053 -0.0082 908 VAL 121 C -0.0019 -0.0050 -0.0078 909 VAL 121 O -0.0018 -0.0049 -0.0079 910 VAL 121 CB -0.0017 -0.0061 -0.0083 911 VAL 121 CG1 -0.0019 -0.0065 -0.0082 912 VAL 121 CG2 -0.0012 -0.0065 -0.0087 913 HIS 122 N -0.0023 -0.0048 -0.0075 914 HIS 122 CA -0.0028 -0.0043 -0.0070 915 HIS 122 C -0.0023 -0.0038 -0.0072 916 HIS 122 O -0.0025 -0.0037 -0.0070 917 HIS 122 CB -0.0032 -0.0042 -0.0067 918 HIS 122 CG -0.0036 -0.0038 -0.0063 919 HIS 122 ND1 -0.0040 -0.0037 -0.0059 920 HIS 122 CD2 -0.0037 -0.0035 -0.0061 921 HIS 122 CE1 -0.0044 -0.0033 -0.0055 922 HIS 122 NE2 -0.0042 -0.0032 -0.0056 923 ALA 123 N -0.0020 -0.0034 -0.0073 924 ALA 123 CA -0.0017 -0.0028 -0.0074 925 ALA 123 C -0.0013 -0.0030 -0.0077 926 ALA 123 O -0.0013 -0.0026 -0.0076 927 ALA 123 CB -0.0013 -0.0024 -0.0076 928 SER 124 N -0.0022 -0.0018 -0.0084 929 SER 124 CA -0.0020 -0.0016 -0.0082 930 SER 124 C -0.0023 -0.0012 -0.0082 931 SER 124 O -0.0022 -0.0009 -0.0080 932 SER 124 CB -0.0019 -0.0018 -0.0081 933 SER 124 OG -0.0016 -0.0021 -0.0080 934 LEU 125 N -0.0026 -0.0013 -0.0085 935 LEU 125 CA -0.0028 -0.0009 -0.0085 936 LEU 125 C -0.0029 -0.0006 -0.0085 937 LEU 125 O -0.0030 -0.0003 -0.0084 938 LEU 125 CB -0.0031 -0.0010 -0.0088 939 LEU 125 CG -0.0031 -0.0012 -0.0089 940 LEU 125 CD1 -0.0033 -0.0014 -0.0093 941 LEU 125 CD2 -0.0030 -0.0010 -0.0088 942 ASP 126 N -0.0029 -0.0007 -0.0085 943 ASP 126 CA -0.0030 -0.0005 -0.0085 944 ASP 126 C -0.0028 -0.0002 -0.0082 945 ASP 126 O -0.0029 0.0001 -0.0080 946 ASP 126 CB -0.0031 -0.0007 -0.0086 947 ASP 126 CG -0.0032 -0.0004 -0.0087 948 ASP 126 OD1 -0.0035 -0.0001 -0.0087 949 ASP 126 OD2 -0.0031 -0.0004 -0.0085 950 LYS 127 N -0.0053 -0.0004 -0.0094 951 LYS 127 CA -0.0047 -0.0000 -0.0081 952 LYS 127 C -0.0036 0.0021 -0.0073 953 LYS 127 O -0.0030 0.0032 -0.0072 954 LYS 127 CB -0.0052 -0.0022 -0.0068 955 LYS 127 CG -0.0049 -0.0021 -0.0060 956 LYS 127 CD -0.0058 -0.0051 -0.0051 957 LYS 127 CE -0.0050 -0.0046 -0.0034 958 LYS 127 NZ -0.0052 -0.0064 -0.0018 959 PHE 128 N -0.0032 0.0023 -0.0064 960 PHE 128 CA -0.0021 0.0042 -0.0054 961 PHE 128 C -0.0018 0.0061 -0.0071 962 PHE 128 O -0.0011 0.0076 -0.0067 963 PHE 128 CB -0.0018 0.0041 -0.0046 964 PHE 128 CG -0.0008 0.0062 -0.0040 965 PHE 128 CD1 0.0002 0.0069 -0.0020 966 PHE 128 CD2 -0.0007 0.0071 -0.0049 967 PHE 128 CE1 0.0011 0.0089 -0.0016 968 PHE 128 CE2 0.0002 0.0090 -0.0045 969 PHE 128 CZ 0.0010 0.0095 -0.0028 970 LEU 129 N -0.0026 0.0059 -0.0092 971 LEU 129 CA -0.0023 0.0078 -0.0107 972 LEU 129 C -0.0024 0.0082 -0.0115 973 LEU 129 O -0.0018 0.0099 -0.0119 974 LEU 129 CB -0.0030 0.0077 -0.0125 975 LEU 129 CG -0.0029 0.0076 -0.0121 976 LEU 129 CD1 -0.0036 0.0070 -0.0137 977 LEU 129 CD2 -0.0016 0.0100 -0.0114 978 ALA 130 N -0.0051 0.0081 -0.0068 979 ALA 130 CA -0.0048 0.0073 -0.0054 980 ALA 130 C -0.0055 0.0080 -0.0032 981 ALA 130 O -0.0060 0.0086 -0.0020 982 ALA 130 CB -0.0037 0.0051 -0.0053 983 SER 131 N -0.0057 0.0081 -0.0024 984 SER 131 CA -0.0063 0.0088 -0.0003 985 SER 131 C -0.0076 0.0110 -0.0004 986 SER 131 O -0.0080 0.0115 0.0014 987 SER 131 CB -0.0062 0.0084 0.0004 988 SER 131 OG -0.0053 0.0067 0.0006 989 VAL 132 N -0.0078 0.0118 -0.0020 990 VAL 132 CA -0.0090 0.0139 -0.0019 991 VAL 132 C -0.0091 0.0141 -0.0021 992 VAL 132 O -0.0099 0.0153 -0.0007 993 VAL 132 CB -0.0092 0.0148 -0.0038 994 VAL 132 CG1 -0.0103 0.0168 -0.0045 995 VAL 132 CG2 -0.0093 0.0149 -0.0038 996 SER 133 N -0.0154 0.0146 0.0040 997 SER 133 CA -0.0162 0.0153 0.0060 998 SER 133 C -0.0152 0.0163 0.0069 999 SER 133 O -0.0164 0.0163 0.0080 1000 SER 133 CB -0.0159 0.0159 0.0067 1001 SER 133 OG -0.0169 0.0150 0.0062 1002 THR 134 N -0.0135 0.0170 0.0063 1003 THR 134 CA -0.0128 0.0178 0.0071 1004 THR 134 C -0.0133 0.0172 0.0066 1005 THR 134 O -0.0136 0.0176 0.0077 1006 THR 134 CB -0.0107 0.0185 0.0063 1007 THR 134 OG1 -0.0099 0.0193 0.0070 1008 THR 134 CG2 -0.0095 0.0194 0.0067 1009 VAL 135 N -0.0136 0.0161 0.0049 1010 VAL 135 CA -0.0142 0.0154 0.0043 1011 VAL 135 C -0.0163 0.0147 0.0052 1012 VAL 135 O -0.0168 0.0149 0.0060 1013 VAL 135 CB -0.0140 0.0143 0.0020 1014 VAL 135 CG1 -0.0152 0.0133 0.0015 1015 VAL 135 CG2 -0.0120 0.0148 0.0010 1016 LEU 136 N -0.0185 0.0102 0.0084 1017 LEU 136 CA -0.0165 0.0075 0.0093 1018 LEU 136 C -0.0162 0.0060 0.0081 1019 LEU 136 O -0.0145 0.0033 0.0083 1020 LEU 136 CB -0.0151 0.0077 0.0125 1021 LEU 136 CG -0.0145 0.0076 0.0137 1022 LEU 136 CD1 -0.0135 0.0085 0.0169 1023 LEU 136 CD2 -0.0145 0.0060 0.0117 1024 THR 137 N -0.0173 0.0078 0.0078 1025 THR 137 CA -0.0171 0.0067 0.0071 1026 THR 137 C -0.0185 0.0066 0.0040 1027 THR 137 O -0.0185 0.0057 0.0028 1028 THR 137 CB -0.0181 0.0100 0.0088 1029 THR 137 OG1 -0.0159 0.0084 0.0117 1030 THR 137 CG2 -0.0189 0.0117 0.0094 1031 SER 138 N -0.0195 0.0069 0.0022 1032 SER 138 CA -0.0210 0.0071 -0.0008 1033 SER 138 C -0.0206 0.0043 -0.0033 1034 SER 138 O -0.0217 0.0047 -0.0051 1035 SER 138 CB -0.0220 0.0074 -0.0026 1036 SER 138 OG -0.0230 0.0093 -0.0021 1037 LYS 139 N -0.0166 -0.0007 -0.0054 1038 LYS 139 CA -0.0167 -0.0027 -0.0064 1039 LYS 139 C -0.0158 -0.0037 -0.0052 1040 LYS 139 O -0.0156 -0.0053 -0.0055 1041 LYS 139 CB -0.0169 -0.0037 -0.0069 1042 LYS 139 CG -0.0178 -0.0026 -0.0080 1043 LYS 139 CD -0.0178 -0.0033 -0.0082 1044 LYS 139 CE -0.0187 -0.0026 -0.0095 1045 LYS 139 NZ -0.0184 -0.0035 -0.0092 1046 TYR 140 N -0.0151 -0.0031 -0.0039 1047 TYR 140 CA -0.0142 -0.0039 -0.0028 1048 TYR 140 C -0.0144 -0.0050 -0.0034 1049 TYR 140 O -0.0137 -0.0066 -0.0029 1050 TYR 140 CB -0.0135 -0.0028 -0.0012 1051 TYR 140 CG -0.0127 -0.0026 0.0001 1052 TYR 140 CD1 -0.0116 -0.0027 0.0019 1053 TYR 140 CD2 -0.0129 -0.0023 -0.0001 1054 TYR 140 CE1 -0.0109 -0.0025 0.0031 1055 TYR 140 CE2 -0.0121 -0.0020 0.0013 1056 TYR 140 CZ -0.0110 -0.0022 0.0030 1057 TYR 140 OH -0.0104 -0.0019 0.0040 1058 ARG 141 N -0.0152 -0.0044 -0.0046 1059 ARG 141 CA -0.0156 -0.0052 -0.0054 1060 ARG 141 C -0.0169 -0.0046 -0.0073 1061 ARG 141 O -0.0173 -0.0032 -0.0074 1062 ARG 141 CB -0.0149 -0.0051 -0.0043 1063 ARG 141 CG -0.0152 -0.0027 -0.0039 1064 ARG 141 CD -0.0146 -0.0030 -0.0030 1065 ARG 141 NE -0.0148 -0.0010 -0.0026 1066 ARG 141 CZ -0.0146 -0.0006 -0.0021 1067 ARG 141 NH1 -0.0139 -0.0016 -0.0014 1068 ARG 141 NH2 -0.0148 0.0014 -0.0019 1069 ARG 141 OXT -0.0170 -0.0056 -0.0079 1070 VAL 1 N -0.0041 -0.0056 0.0043 1071 VAL 1 CA -0.0035 0.0001 0.0062 1072 VAL 1 C -0.0045 0.0047 0.0016 1073 VAL 1 O -0.0057 0.0023 -0.0034 1074 VAL 1 CB -0.0022 0.0010 0.0119 1075 VAL 1 CG1 -0.0014 0.0037 0.0153 1076 VAL 1 CG2 -0.0022 -0.0012 0.0123 1077 HIS 2 N -0.0041 0.0069 0.0031 1078 HIS 2 CA -0.0048 0.0096 -0.0002 1079 HIS 2 C -0.0041 0.0126 0.0026 1080 HIS 2 O -0.0032 0.0162 0.0062 1081 HIS 2 CB -0.0043 0.0163 0.0013 1082 HIS 2 CG -0.0045 0.0191 0.0006 1083 HIS 2 ND1 -0.0034 0.0236 0.0049 1084 HIS 2 CD2 -0.0060 0.0200 -0.0064 1085 HIS 2 CE1 -0.0047 0.0270 -0.0011 1086 HIS 2 NE2 -0.0059 0.0251 -0.0063 1087 LEU 3 N -0.0045 0.0103 0.0009 1088 LEU 3 CA -0.0043 0.0127 0.0019 1089 LEU 3 C -0.0053 0.0142 -0.0028 1090 LEU 3 O -0.0062 0.0128 -0.0067 1091 LEU 3 CB -0.0041 0.0069 0.0031 1092 LEU 3 CG -0.0031 0.0046 0.0079 1093 LEU 3 CD1 -0.0030 0.0006 0.0083 1094 LEU 3 CD2 -0.0023 0.0074 0.0112 1095 THR 4 N -0.0010 0.0248 -0.0006 1096 THR 4 CA -0.0042 0.0228 -0.0009 1097 THR 4 C -0.0071 0.0185 0.0004 1098 THR 4 O -0.0061 0.0151 0.0031 1099 THR 4 CB 0.0010 0.0247 0.0003 1100 THR 4 OG1 0.0041 0.0212 0.0042 1101 THR 4 CG2 0.0052 0.0294 -0.0006 1102 PRO 5 N -0.0098 0.0165 0.0003 1103 PRO 5 CA -0.0132 0.0131 0.0009 1104 PRO 5 C -0.0098 0.0083 0.0057 1105 PRO 5 O -0.0116 0.0042 0.0074 1106 PRO 5 CB -0.0171 0.0114 0.0000 1107 PRO 5 CG -0.0164 0.0171 -0.0033 1108 PRO 5 CD -0.0129 0.0208 -0.0040 1109 GLU 6 N -0.0053 0.0107 0.0063 1110 GLU 6 CA -0.0024 0.0075 0.0099 1111 GLU 6 C 0.0004 0.0062 0.0121 1112 GLU 6 O 0.0014 0.0013 0.0158 1113 GLU 6 CB 0.0031 0.0100 0.0110 1114 GLU 6 CG 0.0055 0.0135 0.0099 1115 GLU 6 CD 0.0017 0.0187 0.0046 1116 GLU 6 OE1 -0.0038 0.0150 0.0043 1117 GLU 6 OE2 0.0004 0.0212 0.0024 1118 GLU 7 N 0.0003 0.0046 0.0089 1119 GLU 7 CA 0.0024 0.0060 0.0079 1120 GLU 7 C -0.0003 0.0050 0.0087 1121 GLU 7 O 0.0012 0.0036 0.0092 1122 GLU 7 CB 0.0034 0.0081 0.0068 1123 GLU 7 CG 0.0070 0.0089 0.0061 1124 GLU 7 CD 0.0080 0.0119 0.0045 1125 GLU 7 OE1 0.0114 0.0121 0.0041 1126 GLU 7 OE2 0.0059 0.0146 0.0034 1127 LYS 8 N -0.0032 0.0064 0.0083 1128 LYS 8 CA -0.0055 0.0060 0.0088 1129 LYS 8 C -0.0059 0.0026 0.0104 1130 LYS 8 O -0.0061 0.0009 0.0113 1131 LYS 8 CB -0.0093 0.0081 0.0082 1132 LYS 8 CG -0.0109 0.0073 0.0087 1133 LYS 8 CD -0.0154 0.0080 0.0088 1134 LYS 8 CE -0.0175 0.0066 0.0097 1135 LYS 8 NZ -0.0231 0.0065 0.0103 1136 SER 9 N -0.0066 0.0004 0.0116 1137 SER 9 CA -0.0071 -0.0021 0.0128 1138 SER 9 C -0.0037 -0.0048 0.0138 1139 SER 9 O -0.0041 -0.0067 0.0148 1140 SER 9 CB -0.0094 -0.0041 0.0141 1141 SER 9 OG -0.0059 -0.0054 0.0144 1142 ALA 10 N 0.0048 -0.0017 0.0051 1143 ALA 10 CA 0.0056 -0.0023 0.0042 1144 ALA 10 C 0.0063 -0.0008 0.0032 1145 ALA 10 O 0.0068 -0.0011 0.0026 1146 ALA 10 CB 0.0063 -0.0027 0.0033 1147 VAL 11 N 0.0062 0.0007 0.0033 1148 VAL 11 CA 0.0067 0.0022 0.0027 1149 VAL 11 C 0.0063 0.0023 0.0032 1150 VAL 11 O 0.0069 0.0025 0.0024 1151 VAL 11 CB 0.0065 0.0034 0.0028 1152 VAL 11 CG1 0.0067 0.0050 0.0025 1153 VAL 11 CG2 0.0072 0.0033 0.0019 1154 THR 12 N 0.0053 0.0024 0.0044 1155 THR 12 CA 0.0047 0.0028 0.0052 1156 THR 12 C 0.0049 0.0017 0.0050 1157 THR 12 O 0.0051 0.0018 0.0046 1158 THR 12 CB 0.0034 0.0030 0.0068 1159 THR 12 OG1 0.0034 0.0042 0.0067 1160 THR 12 CG2 0.0033 0.0024 0.0070 1161 ALA 13 N 0.0108 0.0015 -0.0003 1162 ALA 13 CA 0.0109 0.0018 0.0006 1163 ALA 13 C 0.0103 0.0021 0.0006 1164 ALA 13 O 0.0097 0.0026 0.0012 1165 ALA 13 CB 0.0122 0.0014 0.0009 1166 LEU 14 N 0.0102 0.0018 -0.0003 1167 LEU 14 CA 0.0094 0.0021 -0.0005 1168 LEU 14 C 0.0083 0.0026 -0.0005 1169 LEU 14 O 0.0076 0.0030 -0.0003 1170 LEU 14 CB 0.0097 0.0015 -0.0015 1171 LEU 14 CG 0.0093 0.0017 -0.0016 1172 LEU 14 CD1 0.0096 0.0019 -0.0008 1173 LEU 14 CD2 0.0091 0.0012 -0.0029 1174 TRP 15 N 0.0080 0.0024 -0.0012 1175 TRP 15 CA 0.0068 0.0028 -0.0015 1176 TRP 15 C 0.0064 0.0035 -0.0003 1177 TRP 15 O 0.0054 0.0039 -0.0004 1178 TRP 15 CB 0.0067 0.0026 -0.0023 1179 TRP 15 CG 0.0055 0.0029 -0.0027 1180 TRP 15 CD1 0.0048 0.0033 -0.0025 1181 TRP 15 CD2 0.0049 0.0028 -0.0036 1182 TRP 15 NE1 0.0038 0.0035 -0.0032 1183 TRP 15 CE2 0.0038 0.0033 -0.0039 1184 TRP 15 CE3 0.0052 0.0025 -0.0042 1185 TRP 15 CZ2 0.0030 0.0032 -0.0047 1186 TRP 15 CZ3 0.0044 0.0025 -0.0050 1187 TRP 15 CH2 0.0034 0.0029 -0.0052 1188 GLY 16 N 0.0113 0.0052 -0.0008 1189 GLY 16 CA 0.0113 0.0065 0.0004 1190 GLY 16 C 0.0102 0.0075 0.0012 1191 GLY 16 O 0.0096 0.0085 0.0021 1192 LYS 17 N 0.0098 0.0075 0.0011 1193 LYS 17 CA 0.0089 0.0084 0.0019 1194 LYS 17 C 0.0071 0.0081 0.0014 1195 LYS 17 O 0.0058 0.0091 0.0021 1196 LYS 17 CB 0.0093 0.0086 0.0021 1197 LYS 17 CG 0.0115 0.0088 0.0026 1198 LYS 17 CD 0.0122 0.0091 0.0029 1199 LYS 17 CE 0.0144 0.0092 0.0033 1200 LYS 17 NZ 0.0140 0.0097 0.0038 1201 VAL 18 N 0.0062 0.0072 0.0004 1202 VAL 18 CA 0.0045 0.0067 -0.0003 1203 VAL 18 C 0.0032 0.0074 0.0001 1204 VAL 18 O 0.0035 0.0073 0.0001 1205 VAL 18 CB 0.0046 0.0053 -0.0016 1206 VAL 18 CG1 0.0028 0.0049 -0.0022 1207 VAL 18 CG2 0.0053 0.0048 -0.0020 1208 ASN 19 N 0.0038 0.0103 -0.0020 1209 ASN 19 CA 0.0036 0.0096 -0.0020 1210 ASN 19 C 0.0032 0.0086 -0.0019 1211 ASN 19 O 0.0025 0.0085 -0.0013 1212 ASN 19 CB 0.0029 0.0101 -0.0012 1213 ASN 19 CG 0.0025 0.0093 -0.0011 1214 ASN 19 OD1 0.0025 0.0085 -0.0013 1215 ASN 19 ND2 0.0023 0.0100 -0.0007 1216 VAL 20 N 0.0036 0.0079 -0.0024 1217 VAL 20 CA 0.0034 0.0069 -0.0026 1218 VAL 20 C 0.0027 0.0064 -0.0021 1219 VAL 20 O 0.0020 0.0060 -0.0016 1220 VAL 20 CB 0.0041 0.0063 -0.0033 1221 VAL 20 CG1 0.0038 0.0053 -0.0034 1222 VAL 20 CG2 0.0048 0.0068 -0.0038 1223 ASP 21 N 0.0023 0.0064 -0.0017 1224 ASP 21 CA 0.0015 0.0058 -0.0012 1225 ASP 21 C 0.0010 0.0064 -0.0005 1226 ASP 21 O 0.0004 0.0059 -0.0001 1227 ASP 21 CB 0.0016 0.0059 -0.0012 1228 ASP 21 CG 0.0021 0.0051 -0.0020 1229 ASP 21 OD1 0.0022 0.0044 -0.0022 1230 ASP 21 OD2 0.0018 0.0051 -0.0017 1231 GLU 22 N 0.0033 0.0074 -0.0005 1232 GLU 22 CA 0.0019 0.0079 -0.0004 1233 GLU 22 C 0.0012 0.0070 -0.0000 1234 GLU 22 O 0.0003 0.0066 0.0002 1235 GLU 22 CB 0.0020 0.0090 -0.0008 1236 GLU 22 CG 0.0009 0.0094 -0.0008 1237 GLU 22 CD -0.0000 0.0105 -0.0010 1238 GLU 22 OE1 0.0012 0.0106 -0.0012 1239 GLU 22 OE2 0.0012 0.0117 -0.0015 1240 VAL 23 N 0.0018 0.0067 -0.0000 1241 VAL 23 CA 0.0013 0.0059 0.0003 1242 VAL 23 C 0.0012 0.0046 0.0007 1243 VAL 23 O 0.0002 0.0040 0.0011 1244 VAL 23 CB 0.0020 0.0059 0.0002 1245 VAL 23 CG1 0.0016 0.0049 0.0006 1246 VAL 23 CG2 0.0017 0.0072 -0.0002 1247 GLY 24 N 0.0021 0.0043 0.0007 1248 GLY 24 CA 0.0020 0.0032 0.0011 1249 GLY 24 C 0.0010 0.0030 0.0013 1250 GLY 24 O 0.0002 0.0023 0.0016 1251 GLY 25 N 0.0015 0.0034 0.0027 1252 GLY 25 CA 0.0005 0.0039 0.0018 1253 GLY 25 C -0.0004 0.0031 0.0011 1254 GLY 25 O -0.0012 0.0027 0.0004 1255 GLU 26 N -0.0001 0.0028 0.0013 1256 GLU 26 CA -0.0008 0.0020 0.0007 1257 GLU 26 C -0.0009 0.0005 0.0006 1258 GLU 26 O -0.0018 0.0001 -0.0002 1259 GLU 26 CB -0.0004 0.0021 0.0010 1260 GLU 26 CG -0.0014 0.0019 0.0002 1261 GLU 26 CD -0.0022 0.0020 -0.0005 1262 GLU 26 OE1 -0.0011 0.0003 0.0004 1263 GLU 26 OE2 -0.0004 0.0025 0.0011 1264 ALA 27 N -0.0000 -0.0000 0.0013 1265 ALA 27 CA -0.0002 -0.0015 0.0011 1266 ALA 27 C -0.0008 -0.0017 0.0007 1267 ALA 27 O -0.0013 -0.0026 0.0001 1268 ALA 27 CB 0.0009 -0.0020 0.0020 1269 LEU 28 N 0.0012 -0.0016 0.0036 1270 LEU 28 CA 0.0019 -0.0012 0.0038 1271 LEU 28 C 0.0018 -0.0012 0.0031 1272 LEU 28 O 0.0017 -0.0012 0.0032 1273 LEU 28 CB 0.0029 -0.0007 0.0043 1274 LEU 28 CG 0.0033 -0.0005 0.0049 1275 LEU 28 CD1 0.0030 -0.0008 0.0060 1276 LEU 28 CD2 0.0043 0.0001 0.0049 1277 GLY 29 N 0.0018 -0.0011 0.0020 1278 GLY 29 CA 0.0018 -0.0010 0.0012 1279 GLY 29 C 0.0008 -0.0016 0.0011 1280 GLY 29 O 0.0008 -0.0016 0.0010 1281 ARG 30 N 0.0000 -0.0021 0.0012 1282 ARG 30 CA -0.0009 -0.0026 0.0011 1283 ARG 30 C -0.0009 -0.0028 0.0022 1284 ARG 30 O -0.0014 -0.0030 0.0020 1285 ARG 30 CB -0.0017 -0.0031 0.0010 1286 ARG 30 CG -0.0020 -0.0032 -0.0002 1287 ARG 30 CD -0.0028 -0.0037 -0.0001 1288 ARG 30 NE -0.0029 -0.0036 -0.0011 1289 ARG 30 CZ -0.0035 -0.0039 -0.0019 1290 ARG 30 NH1 -0.0042 -0.0043 -0.0019 1291 ARG 30 NH2 -0.0036 -0.0038 -0.0029 1292 LEU 31 N 0.0011 -0.0055 0.0015 1293 LEU 31 CA 0.0012 -0.0053 0.0018 1294 LEU 31 C 0.0015 -0.0052 0.0016 1295 LEU 31 O 0.0015 -0.0052 0.0017 1296 LEU 31 CB 0.0012 -0.0052 0.0022 1297 LEU 31 CG 0.0013 -0.0050 0.0025 1298 LEU 31 CD1 0.0009 -0.0051 0.0026 1299 LEU 31 CD2 0.0014 -0.0047 0.0028 1300 LEU 32 N 0.0018 -0.0051 0.0014 1301 LEU 32 CA 0.0021 -0.0049 0.0014 1302 LEU 32 C 0.0021 -0.0050 0.0010 1303 LEU 32 O 0.0023 -0.0049 0.0010 1304 LEU 32 CB 0.0024 -0.0047 0.0012 1305 LEU 32 CG 0.0025 -0.0045 0.0016 1306 LEU 32 CD1 0.0024 -0.0044 0.0019 1307 LEU 32 CD2 0.0028 -0.0043 0.0015 1308 VAL 33 N 0.0019 -0.0052 0.0008 1309 VAL 33 CA 0.0019 -0.0054 0.0005 1310 VAL 33 C 0.0016 -0.0055 0.0006 1311 VAL 33 O 0.0017 -0.0055 0.0004 1312 VAL 33 CB 0.0018 -0.0056 0.0001 1313 VAL 33 CG1 0.0017 -0.0058 -0.0002 1314 VAL 33 CG2 0.0021 -0.0055 -0.0000 1315 VAL 34 N 0.0029 -0.0040 -0.0011 1316 VAL 34 CA 0.0021 -0.0032 -0.0005 1317 VAL 34 C 0.0022 -0.0031 0.0005 1318 VAL 34 O 0.0019 -0.0028 0.0012 1319 VAL 34 CB 0.0014 -0.0029 -0.0012 1320 VAL 34 CG1 0.0006 -0.0022 -0.0007 1321 VAL 34 CG2 0.0013 -0.0030 -0.0022 1322 TYR 35 N 0.0028 -0.0035 0.0006 1323 TYR 35 CA 0.0029 -0.0034 0.0015 1324 TYR 35 C 0.0039 -0.0041 0.0019 1325 TYR 35 O 0.0042 -0.0043 0.0016 1326 TYR 35 CB 0.0026 -0.0032 0.0014 1327 TYR 35 CG 0.0016 -0.0026 0.0010 1328 TYR 35 CD1 0.0010 -0.0020 0.0016 1329 TYR 35 CD2 0.0012 -0.0025 0.0001 1330 TYR 35 CE1 0.0001 -0.0014 0.0013 1331 TYR 35 CE2 0.0004 -0.0020 -0.0003 1332 TYR 35 CZ -0.0002 -0.0015 0.0003 1333 TYR 35 OH -0.0010 -0.0009 -0.0002 1334 PRO 36 N 0.0043 -0.0043 0.0022 1335 PRO 36 CA 0.0052 -0.0049 0.0023 1336 PRO 36 C 0.0056 -0.0051 0.0030 1337 PRO 36 O 0.0064 -0.0057 0.0029 1338 PRO 36 CB 0.0055 -0.0050 0.0027 1339 PRO 36 CG 0.0048 -0.0044 0.0029 1340 PRO 36 CD 0.0040 -0.0040 0.0025 1341 TRP 37 N 0.0056 -0.0031 0.0053 1342 TRP 37 CA 0.0054 -0.0028 0.0051 1343 TRP 37 C 0.0048 -0.0028 0.0051 1344 TRP 37 O 0.0045 -0.0025 0.0050 1345 TRP 37 CB 0.0056 -0.0023 0.0050 1346 TRP 37 CG 0.0055 -0.0022 0.0049 1347 TRP 37 CD1 0.0051 -0.0019 0.0048 1348 TRP 37 CD2 0.0059 -0.0023 0.0050 1349 TRP 37 NE1 0.0052 -0.0020 0.0048 1350 TRP 37 CE2 0.0056 -0.0022 0.0049 1351 TRP 37 CE3 0.0064 -0.0026 0.0052 1352 TRP 37 CZ2 0.0058 -0.0022 0.0050 1353 TRP 37 CZ3 0.0066 -0.0026 0.0052 1354 TRP 37 CH2 0.0063 -0.0025 0.0051 1355 THR 38 N 0.0045 -0.0031 0.0052 1356 THR 38 CA 0.0039 -0.0032 0.0052 1357 THR 38 C 0.0037 -0.0034 0.0052 1358 THR 38 O 0.0032 -0.0035 0.0052 1359 THR 38 CB 0.0036 -0.0035 0.0053 1360 THR 38 OG1 0.0039 -0.0039 0.0055 1361 THR 38 CG2 0.0039 -0.0032 0.0051 1362 GLN 39 N 0.0041 -0.0037 0.0054 1363 GLN 39 CA 0.0041 -0.0040 0.0055 1364 GLN 39 C 0.0038 -0.0036 0.0053 1365 GLN 39 O 0.0036 -0.0038 0.0054 1366 GLN 39 CB 0.0045 -0.0043 0.0057 1367 GLN 39 CG 0.0047 -0.0047 0.0058 1368 GLN 39 CD 0.0052 -0.0050 0.0060 1369 GLN 39 OE1 0.0053 -0.0049 0.0060 1370 GLN 39 NE2 0.0054 -0.0052 0.0062 1371 ARG 40 N 0.0048 -0.0007 0.0080 1372 ARG 40 CA 0.0040 -0.0009 0.0071 1373 ARG 40 C 0.0037 -0.0009 0.0073 1374 ARG 40 O 0.0027 -0.0010 0.0069 1375 ARG 40 CB 0.0047 -0.0013 0.0061 1376 ARG 40 CG 0.0053 -0.0014 0.0057 1377 ARG 40 CD 0.0061 -0.0018 0.0047 1378 ARG 40 NE 0.0055 -0.0020 0.0039 1379 ARG 40 CZ 0.0049 -0.0022 0.0031 1380 ARG 40 NH1 0.0052 -0.0022 0.0032 1381 ARG 40 NH2 0.0044 -0.0025 0.0023 1382 PHE 41 N 0.0040 -0.0008 0.0077 1383 PHE 41 CA 0.0037 -0.0008 0.0076 1384 PHE 41 C 0.0028 -0.0004 0.0087 1385 PHE 41 O 0.0025 -0.0004 0.0086 1386 PHE 41 CB 0.0048 -0.0007 0.0078 1387 PHE 41 CG 0.0055 -0.0010 0.0069 1388 PHE 41 CD1 0.0065 -0.0010 0.0070 1389 PHE 41 CD2 0.0051 -0.0014 0.0058 1390 PHE 41 CE1 0.0071 -0.0013 0.0061 1391 PHE 41 CE2 0.0059 -0.0017 0.0050 1392 PHE 41 CZ 0.0069 -0.0016 0.0052 1393 PHE 42 N 0.0028 -0.0002 0.0092 1394 PHE 42 CA 0.0025 0.0001 0.0103 1395 PHE 42 C 0.0016 0.0003 0.0107 1396 PHE 42 O 0.0013 0.0006 0.0116 1397 PHE 42 CB 0.0035 0.0004 0.0112 1398 PHE 42 CG 0.0042 0.0003 0.0110 1399 PHE 42 CD1 0.0055 0.0002 0.0107 1400 PHE 42 CD2 0.0044 0.0003 0.0111 1401 PHE 42 CE1 0.0062 0.0001 0.0105 1402 PHE 42 CE2 0.0051 0.0002 0.0108 1403 PHE 42 CZ 0.0063 0.0001 0.0105 1404 GLU 43 N -0.0001 0.0015 0.0111 1405 GLU 43 CA -0.0002 0.0026 0.0093 1406 GLU 43 C 0.0002 0.0048 0.0096 1407 GLU 43 O 0.0003 0.0058 0.0089 1408 GLU 43 CB -0.0003 0.0024 0.0089 1409 GLU 43 CG -0.0001 0.0034 0.0092 1410 GLU 43 CD -0.0006 0.0025 0.0071 1411 GLU 43 OE1 -0.0008 0.0021 0.0063 1412 GLU 43 OE2 -0.0002 0.0036 0.0086 1413 SER 44 N 0.0006 0.0052 0.0115 1414 SER 44 CA 0.0011 0.0071 0.0121 1415 SER 44 C 0.0009 0.0071 0.0111 1416 SER 44 O 0.0013 0.0081 0.0122 1417 SER 44 CB 0.0014 0.0072 0.0139 1418 SER 44 OG 0.0016 0.0069 0.0154 1419 PHE 45 N 0.0007 0.0054 0.0116 1420 PHE 45 CA 0.0007 0.0051 0.0117 1421 PHE 45 C 0.0004 0.0055 0.0099 1422 PHE 45 O 0.0004 0.0052 0.0098 1423 PHE 45 CB 0.0004 0.0030 0.0124 1424 PHE 45 CG 0.0007 0.0026 0.0146 1425 PHE 45 CD1 0.0005 0.0010 0.0151 1426 PHE 45 CD2 0.0010 0.0031 0.0157 1427 PHE 45 CE1 0.0008 0.0006 0.0173 1428 PHE 45 CE2 0.0013 0.0031 0.0175 1429 PHE 45 CZ 0.0011 0.0015 0.0180 1430 GLY 46 N 0.0001 0.0098 0.0080 1431 GLY 46 CA -0.0012 0.0115 0.0062 1432 GLY 46 C -0.0024 0.0093 0.0041 1433 GLY 46 O -0.0027 0.0064 0.0034 1434 ASP 47 N -0.0026 0.0103 0.0038 1435 ASP 47 CA -0.0043 0.0085 0.0012 1436 ASP 47 C -0.0033 0.0055 0.0024 1437 ASP 47 O -0.0018 0.0059 0.0047 1438 ASP 47 CB -0.0044 0.0110 0.0011 1439 ASP 47 CG -0.0061 0.0105 -0.0014 1440 ASP 47 OD1 -0.0065 0.0113 -0.0020 1441 ASP 47 OD2 -0.0070 0.0068 -0.0032 1442 LEU 48 N -0.0038 0.0028 0.0013 1443 LEU 48 CA -0.0033 -0.0007 0.0018 1444 LEU 48 C -0.0049 -0.0021 -0.0008 1445 LEU 48 O -0.0048 -0.0048 -0.0009 1446 LEU 48 CB -0.0022 -0.0021 0.0033 1447 LEU 48 CG -0.0005 -0.0010 0.0060 1448 LEU 48 CD1 0.0004 -0.0029 0.0072 1449 LEU 48 CD2 0.0007 -0.0005 0.0080 1450 SER 49 N -0.0076 -0.0008 -0.0077 1451 SER 49 CA -0.0080 -0.0027 -0.0109 1452 SER 49 C -0.0076 -0.0026 -0.0100 1453 SER 49 O -0.0070 -0.0058 -0.0127 1454 SER 49 CB -0.0106 0.0003 -0.0125 1455 SER 49 OG -0.0104 0.0021 -0.0098 1456 THR 50 N -0.0061 -0.0036 -0.0080 1457 THR 50 CA -0.0047 -0.0050 -0.0071 1458 THR 50 C -0.0026 -0.0061 -0.0040 1459 THR 50 O -0.0026 -0.0046 -0.0023 1460 THR 50 CB -0.0058 -0.0033 -0.0072 1461 THR 50 OG1 -0.0056 -0.0016 -0.0047 1462 THR 50 CG2 -0.0079 -0.0022 -0.0101 1463 PRO 51 N -0.0012 -0.0079 -0.0036 1464 PRO 51 CA 0.0007 -0.0090 -0.0010 1465 PRO 51 C 0.0006 -0.0067 0.0017 1466 PRO 51 O 0.0013 -0.0057 0.0042 1467 PRO 51 CB 0.0020 -0.0112 -0.0011 1468 PRO 51 CG 0.0011 -0.0126 -0.0044 1469 PRO 51 CD -0.0009 -0.0104 -0.0059 1470 ASP 52 N -0.0016 -0.0060 0.0022 1471 ASP 52 CA -0.0019 -0.0045 0.0040 1472 ASP 52 C -0.0026 -0.0023 0.0047 1473 ASP 52 O -0.0027 -0.0012 0.0069 1474 ASP 52 CB -0.0024 -0.0037 0.0029 1475 ASP 52 CG -0.0014 -0.0057 0.0040 1476 ASP 52 OD1 -0.0006 -0.0071 0.0051 1477 ASP 52 OD2 -0.0015 -0.0065 0.0017 1478 ALA 53 N -0.0034 -0.0013 0.0027 1479 ALA 53 CA -0.0042 0.0009 0.0032 1480 ALA 53 C -0.0038 0.0008 0.0051 1481 ALA 53 O -0.0039 0.0018 0.0068 1482 ALA 53 CB -0.0049 0.0017 0.0009 1483 VAL 54 N -0.0029 -0.0016 0.0047 1484 VAL 54 CA -0.0023 -0.0024 0.0062 1485 VAL 54 C -0.0018 -0.0026 0.0085 1486 VAL 54 O -0.0018 -0.0017 0.0106 1487 VAL 54 CB -0.0016 -0.0048 0.0048 1488 VAL 54 CG1 -0.0009 -0.0057 0.0069 1489 VAL 54 CG2 -0.0021 -0.0047 0.0022 1490 MET 55 N -0.0011 -0.0020 0.0082 1491 MET 55 CA -0.0010 -0.0023 0.0093 1492 MET 55 C -0.0013 -0.0014 0.0100 1493 MET 55 O -0.0012 -0.0016 0.0110 1494 MET 55 CB -0.0007 -0.0034 0.0093 1495 MET 55 CG -0.0003 -0.0044 0.0087 1496 MET 55 SD -0.0002 -0.0048 0.0093 1497 MET 55 CE -0.0000 -0.0052 0.0106 1498 GLY 56 N -0.0015 -0.0007 0.0093 1499 GLY 56 CA -0.0018 0.0002 0.0100 1500 GLY 56 C -0.0022 0.0013 0.0099 1501 GLY 56 O -0.0025 0.0021 0.0106 1502 ASN 57 N -0.0022 0.0014 0.0098 1503 ASN 57 CA -0.0025 0.0023 0.0097 1504 ASN 57 C -0.0026 0.0025 0.0108 1505 ASN 57 O -0.0024 0.0019 0.0115 1506 ASN 57 CB -0.0025 0.0022 0.0089 1507 ASN 57 CG -0.0029 0.0032 0.0090 1508 ASN 57 OD1 -0.0030 0.0036 0.0097 1509 ASN 57 ND2 -0.0030 0.0035 0.0079 1510 PRO 58 N -0.0019 0.0020 0.0130 1511 PRO 58 CA -0.0015 0.0022 0.0136 1512 PRO 58 C -0.0012 0.0017 0.0134 1513 PRO 58 O -0.0006 0.0017 0.0140 1514 PRO 58 CB -0.0022 0.0032 0.0140 1515 PRO 58 CG -0.0027 0.0032 0.0134 1516 PRO 58 CD -0.0029 0.0028 0.0128 1517 LYS 59 N -0.0017 0.0015 0.0125 1518 LYS 59 CA -0.0015 0.0010 0.0122 1519 LYS 59 C -0.0008 0.0001 0.0120 1520 LYS 59 O -0.0002 -0.0002 0.0123 1521 LYS 59 CB -0.0022 0.0010 0.0115 1522 LYS 59 CG -0.0027 0.0017 0.0117 1523 LYS 59 CD -0.0033 0.0020 0.0114 1524 LYS 59 CE -0.0039 0.0030 0.0119 1525 LYS 59 NZ -0.0047 0.0028 0.0108 1526 VAL 60 N -0.0007 -0.0000 0.0119 1527 VAL 60 CA -0.0000 -0.0008 0.0118 1528 VAL 60 C 0.0007 -0.0008 0.0125 1529 VAL 60 O 0.0014 -0.0013 0.0128 1530 VAL 60 CB -0.0001 -0.0012 0.0113 1531 VAL 60 CG1 0.0007 -0.0018 0.0115 1532 VAL 60 CG2 -0.0008 -0.0013 0.0104 1533 LYS 61 N 0.0003 0.0001 0.0118 1534 LYS 61 CA 0.0007 0.0008 0.0107 1535 LYS 61 C 0.0007 -0.0001 0.0089 1536 LYS 61 O 0.0011 0.0006 0.0075 1537 LYS 61 CB 0.0005 0.0004 0.0114 1538 LYS 61 CG 0.0006 0.0014 0.0127 1539 LYS 61 CD 0.0002 0.0007 0.0139 1540 LYS 61 CE 0.0006 0.0026 0.0146 1541 LYS 61 NZ 0.0002 0.0019 0.0157 1542 ALA 62 N 0.0003 -0.0017 0.0087 1543 ALA 62 CA 0.0003 -0.0025 0.0070 1544 ALA 62 C 0.0006 -0.0020 0.0060 1545 ALA 62 O 0.0008 -0.0021 0.0046 1546 ALA 62 CB -0.0003 -0.0044 0.0073 1547 HIS 63 N 0.0004 -0.0022 0.0071 1548 HIS 63 CA 0.0007 -0.0016 0.0062 1549 HIS 63 C 0.0013 0.0002 0.0056 1550 HIS 63 O 0.0016 0.0005 0.0040 1551 HIS 63 CB 0.0005 -0.0019 0.0071 1552 HIS 63 CG 0.0006 -0.0019 0.0064 1553 HIS 63 ND1 0.0006 -0.0029 0.0046 1554 HIS 63 CD2 0.0010 -0.0006 0.0062 1555 HIS 63 CE1 0.0009 -0.0022 0.0040 1556 HIS 63 NE2 0.0011 -0.0011 0.0049 1557 GLY 64 N 0.0011 0.0007 0.0058 1558 GLY 64 CA 0.0022 0.0040 0.0047 1559 GLY 64 C 0.0023 0.0046 0.0018 1560 GLY 64 O 0.0028 0.0062 -0.0004 1561 LYS 65 N 0.0016 0.0023 0.0016 1562 LYS 65 CA 0.0015 0.0018 -0.0012 1563 LYS 65 C 0.0013 0.0011 -0.0044 1564 LYS 65 O 0.0016 0.0022 -0.0069 1565 LYS 65 CB 0.0007 -0.0007 -0.0007 1566 LYS 65 CG 0.0003 -0.0019 -0.0010 1567 LYS 65 CD -0.0007 -0.0050 -0.0001 1568 LYS 65 CE -0.0008 -0.0055 -0.0053 1569 LYS 65 NZ -0.0025 -0.0106 -0.0039 1570 LYS 66 N 0.0007 -0.0008 -0.0041 1571 LYS 66 CA 0.0004 -0.0015 -0.0066 1572 LYS 66 C 0.0013 0.0012 -0.0081 1573 LYS 66 O 0.0014 0.0016 -0.0112 1574 LYS 66 CB -0.0005 -0.0044 -0.0061 1575 LYS 66 CG -0.0009 -0.0056 -0.0084 1576 LYS 66 CD -0.0018 -0.0087 -0.0075 1577 LYS 66 CE -0.0026 -0.0111 -0.0123 1578 LYS 66 NZ -0.0035 -0.0139 -0.0122 1579 VAL 67 N 0.0029 0.0021 -0.0057 1580 VAL 67 CA 0.0028 0.0030 -0.0057 1581 VAL 67 C 0.0025 0.0033 -0.0061 1582 VAL 67 O 0.0021 0.0037 -0.0066 1583 VAL 67 CB 0.0032 0.0033 -0.0051 1584 VAL 67 CG1 0.0032 0.0041 -0.0050 1585 VAL 67 CG2 0.0035 0.0030 -0.0047 1586 LEU 68 N 0.0026 0.0030 -0.0060 1587 LEU 68 CA 0.0023 0.0033 -0.0064 1588 LEU 68 C 0.0018 0.0031 -0.0071 1589 LEU 68 O 0.0015 0.0035 -0.0075 1590 LEU 68 CB 0.0025 0.0032 -0.0061 1591 LEU 68 CG 0.0025 0.0038 -0.0060 1592 LEU 68 CD1 0.0022 0.0035 -0.0064 1593 LEU 68 CD2 0.0027 0.0044 -0.0057 1594 GLY 69 N 0.0017 0.0024 -0.0073 1595 GLY 69 CA 0.0013 0.0022 -0.0078 1596 GLY 69 C 0.0010 0.0027 -0.0083 1597 GLY 69 O 0.0007 0.0029 -0.0087 1598 ALA 70 N -0.0005 0.0053 -0.0079 1599 ALA 70 CA -0.0007 0.0053 -0.0074 1600 ALA 70 C -0.0006 0.0039 -0.0072 1601 ALA 70 O -0.0008 0.0035 -0.0063 1602 ALA 70 CB -0.0005 0.0062 -0.0082 1603 PHE 71 N -0.0002 0.0031 -0.0082 1604 PHE 71 CA -0.0001 0.0018 -0.0081 1605 PHE 71 C -0.0004 0.0010 -0.0069 1606 PHE 71 O -0.0005 0.0005 -0.0062 1607 PHE 71 CB 0.0003 0.0012 -0.0094 1608 PHE 71 CG 0.0005 -0.0002 -0.0094 1609 PHE 71 CD1 0.0006 -0.0005 -0.0100 1610 PHE 71 CD2 0.0005 -0.0013 -0.0090 1611 PHE 71 CE1 0.0008 -0.0019 -0.0101 1612 PHE 71 CE2 0.0006 -0.0025 -0.0092 1613 PHE 71 CZ 0.0008 -0.0029 -0.0097 1614 SER 72 N -0.0005 0.0012 -0.0067 1615 SER 72 CA -0.0007 0.0006 -0.0056 1616 SER 72 C -0.0011 0.0009 -0.0044 1617 SER 72 O -0.0013 0.0000 -0.0035 1618 SER 72 CB -0.0007 0.0008 -0.0059 1619 SER 72 OG -0.0008 0.0002 -0.0051 1620 ASP 73 N -0.0043 0.0021 -0.0024 1621 ASP 73 CA -0.0052 0.0031 -0.0002 1622 ASP 73 C -0.0054 0.0025 0.0002 1623 ASP 73 O -0.0062 0.0022 0.0021 1624 ASP 73 CB -0.0049 0.0058 -0.0003 1625 ASP 73 CG -0.0049 0.0063 -0.0003 1626 ASP 73 OD1 -0.0050 0.0046 -0.0003 1627 ASP 73 OD2 -0.0046 0.0079 -0.0006 1628 GLY 74 N -0.0049 0.0024 -0.0010 1629 GLY 74 CA -0.0051 0.0016 -0.0007 1630 GLY 74 C -0.0055 -0.0003 -0.0000 1631 GLY 74 O -0.0060 -0.0016 0.0010 1632 LEU 75 N -0.0054 -0.0023 -0.0006 1633 LEU 75 CA -0.0058 -0.0045 -0.0002 1634 LEU 75 C -0.0068 -0.0047 0.0022 1635 LEU 75 O -0.0073 -0.0063 0.0030 1636 LEU 75 CB -0.0056 -0.0061 -0.0010 1637 LEU 75 CG -0.0047 -0.0059 -0.0030 1638 LEU 75 CD1 -0.0042 -0.0075 -0.0044 1639 LEU 75 CD2 -0.0043 -0.0069 -0.0041 1640 ALA 76 N -0.0124 -0.0045 0.0067 1641 ALA 76 CA -0.0126 -0.0046 0.0087 1642 ALA 76 C -0.0128 -0.0046 0.0109 1643 ALA 76 O -0.0131 -0.0050 0.0123 1644 ALA 76 CB -0.0118 -0.0026 0.0095 1645 HIS 77 N -0.0127 -0.0045 0.0102 1646 HIS 77 CA -0.0128 -0.0042 0.0120 1647 HIS 77 C -0.0134 -0.0059 0.0111 1648 HIS 77 O -0.0133 -0.0056 0.0114 1649 HIS 77 CB -0.0119 -0.0024 0.0115 1650 HIS 77 CG -0.0113 -0.0006 0.0122 1651 HIS 77 ND1 -0.0106 0.0008 0.0112 1652 HIS 77 CD2 -0.0116 -0.0008 0.0151 1653 HIS 77 CE1 -0.0105 0.0014 0.0127 1654 HIS 77 NE2 -0.0109 0.0008 0.0147 1655 LEU 78 N -0.0140 -0.0077 0.0105 1656 LEU 78 CA -0.0145 -0.0091 0.0094 1657 LEU 78 C -0.0152 -0.0102 0.0114 1658 LEU 78 O -0.0151 -0.0102 0.0108 1659 LEU 78 CB -0.0154 -0.0113 0.0089 1660 LEU 78 CG -0.0150 -0.0109 0.0063 1661 LEU 78 CD1 -0.0155 -0.0123 0.0058 1662 LEU 78 CD2 -0.0145 -0.0102 0.0045 1663 ASP 79 N -0.0218 -0.0116 0.0110 1664 ASP 79 CA -0.0239 -0.0112 0.0144 1665 ASP 79 C -0.0212 -0.0096 0.0166 1666 ASP 79 O -0.0212 -0.0089 0.0190 1667 ASP 79 CB -0.0236 -0.0111 0.0144 1668 ASP 79 CG -0.0256 -0.0123 0.0127 1669 ASP 79 OD1 -0.0260 -0.0126 0.0124 1670 ASP 79 OD2 -0.0291 -0.0136 0.0125 1671 ASN 80 N -0.0177 -0.0088 0.0154 1672 ASN 80 CA -0.0148 -0.0070 0.0181 1673 ASN 80 C -0.0121 -0.0069 0.0157 1674 ASN 80 O -0.0097 -0.0061 0.0158 1675 ASN 80 CB -0.0139 -0.0065 0.0187 1676 ASN 80 CG -0.0114 -0.0047 0.0219 1677 ASN 80 OD1 -0.0114 -0.0043 0.0231 1678 ASN 80 ND2 -0.0091 -0.0044 0.0202 1679 LEU 81 N -0.0131 -0.0074 0.0151 1680 LEU 81 CA -0.0096 -0.0067 0.0138 1681 LEU 81 C -0.0074 -0.0053 0.0159 1682 LEU 81 O -0.0047 -0.0045 0.0154 1683 LEU 81 CB -0.0115 -0.0078 0.0123 1684 LEU 81 CG -0.0135 -0.0094 0.0094 1685 LEU 81 CD1 -0.0153 -0.0102 0.0087 1686 LEU 81 CD2 -0.0115 -0.0097 0.0063 1687 LYS 82 N -0.0112 -0.0139 0.0184 1688 LYS 82 CA -0.0099 -0.0125 0.0190 1689 LYS 82 C -0.0077 -0.0102 0.0204 1690 LYS 82 O -0.0061 -0.0079 0.0199 1691 LYS 82 CB -0.0111 -0.0154 0.0219 1692 LYS 82 CG -0.0132 -0.0173 0.0201 1693 LYS 82 CD -0.0143 -0.0202 0.0233 1694 LYS 82 CE -0.0135 -0.0193 0.0238 1695 LYS 82 NZ -0.0139 -0.0222 0.0293 1696 GLY 83 N -0.0067 -0.0100 0.0229 1697 GLY 83 CA -0.0039 -0.0069 0.0242 1698 GLY 83 C -0.0029 -0.0045 0.0216 1699 GLY 83 O -0.0008 -0.0018 0.0220 1700 THR 84 N -0.0041 -0.0051 0.0194 1701 THR 84 CA -0.0035 -0.0029 0.0162 1702 THR 84 C -0.0027 -0.0010 0.0143 1703 THR 84 O -0.0015 0.0014 0.0127 1704 THR 84 CB -0.0050 -0.0037 0.0136 1705 THR 84 OG1 -0.0049 -0.0049 0.0165 1706 THR 84 CG2 -0.0040 -0.0015 0.0116 1707 PHE 85 N -0.0041 -0.0029 0.0075 1708 PHE 85 CA -0.0044 -0.0022 0.0054 1709 PHE 85 C -0.0043 -0.0015 0.0054 1710 PHE 85 O -0.0046 -0.0011 0.0037 1711 PHE 85 CB -0.0050 -0.0036 0.0036 1712 PHE 85 CG -0.0051 -0.0038 0.0033 1713 PHE 85 CD1 -0.0052 -0.0055 0.0038 1714 PHE 85 CD2 -0.0050 -0.0019 0.0025 1715 PHE 85 CE1 -0.0053 -0.0053 0.0035 1716 PHE 85 CE2 -0.0051 -0.0023 0.0022 1717 PHE 85 CZ -0.0052 -0.0038 0.0027 1718 ALA 86 N -0.0040 -0.0016 0.0071 1719 ALA 86 CA -0.0039 -0.0010 0.0071 1720 ALA 86 C -0.0038 0.0009 0.0062 1721 ALA 86 O -0.0040 0.0012 0.0049 1722 ALA 86 CB -0.0035 -0.0013 0.0093 1723 THR 87 N -0.0034 0.0025 0.0069 1724 THR 87 CA -0.0034 0.0044 0.0059 1725 THR 87 C -0.0038 0.0048 0.0036 1726 THR 87 O -0.0039 0.0056 0.0024 1727 THR 87 CB -0.0029 0.0067 0.0068 1728 THR 87 OG1 -0.0025 0.0066 0.0085 1729 THR 87 CG2 -0.0026 0.0089 0.0063 1730 LEU 88 N -0.0028 0.0003 -0.0011 1731 LEU 88 CA -0.0022 0.0001 -0.0029 1732 LEU 88 C -0.0017 -0.0002 -0.0044 1733 LEU 88 O -0.0012 0.0003 -0.0060 1734 LEU 88 CB -0.0021 -0.0015 -0.0028 1735 LEU 88 CG -0.0024 -0.0010 -0.0017 1736 LEU 88 CD1 -0.0022 -0.0026 -0.0020 1737 LEU 88 CD2 -0.0021 0.0003 -0.0032 1738 SER 89 N -0.0018 -0.0013 -0.0038 1739 SER 89 CA -0.0013 -0.0016 -0.0052 1740 SER 89 C -0.0012 0.0003 -0.0062 1741 SER 89 O -0.0007 0.0007 -0.0079 1742 SER 89 CB -0.0015 -0.0029 -0.0039 1743 SER 89 OG -0.0010 -0.0032 -0.0054 1744 GLU 90 N -0.0018 0.0015 -0.0047 1745 GLU 90 CA -0.0018 0.0034 -0.0053 1746 GLU 90 C -0.0015 0.0049 -0.0067 1747 GLU 90 O -0.0011 0.0055 -0.0082 1748 GLU 90 CB -0.0026 0.0049 -0.0033 1749 GLU 90 CG -0.0027 0.0036 -0.0026 1750 GLU 90 CD -0.0035 0.0051 -0.0005 1751 GLU 90 OE1 -0.0035 0.0064 -0.0011 1752 GLU 90 OE2 -0.0039 0.0045 0.0011 1753 LEU 91 N 0.0011 0.0007 -0.0066 1754 LEU 91 CA 0.0018 0.0008 -0.0072 1755 LEU 91 C 0.0025 0.0005 -0.0079 1756 LEU 91 O 0.0032 0.0010 -0.0083 1757 LEU 91 CB 0.0014 0.0002 -0.0071 1758 LEU 91 CG 0.0021 0.0001 -0.0077 1759 LEU 91 CD1 0.0023 0.0011 -0.0075 1760 LEU 91 CD2 0.0021 -0.0006 -0.0079 1761 HIS 92 N 0.0023 -0.0004 -0.0079 1762 HIS 92 CA 0.0030 -0.0006 -0.0086 1763 HIS 92 C 0.0034 0.0000 -0.0088 1764 HIS 92 O 0.0041 0.0001 -0.0094 1765 HIS 92 CB 0.0027 -0.0017 -0.0087 1766 HIS 92 CG 0.0027 -0.0026 -0.0090 1767 HIS 92 ND1 0.0019 -0.0028 -0.0085 1768 HIS 92 CD2 0.0031 -0.0033 -0.0096 1769 HIS 92 CE1 0.0022 -0.0036 -0.0089 1770 HIS 92 NE2 0.0028 -0.0038 -0.0095 1771 CYS 93 N 0.0029 0.0005 -0.0082 1772 CYS 93 CA 0.0033 0.0012 -0.0083 1773 CYS 93 C 0.0038 0.0023 -0.0084 1774 CYS 93 O 0.0044 0.0025 -0.0088 1775 CYS 93 CB 0.0026 0.0013 -0.0077 1776 CYS 93 SG 0.0029 0.0024 -0.0076 1777 ASP 94 N 0.0019 0.0046 -0.0094 1778 ASP 94 CA 0.0025 0.0042 -0.0089 1779 ASP 94 C 0.0034 0.0016 -0.0082 1780 ASP 94 O 0.0047 0.0010 -0.0070 1781 ASP 94 CB 0.0007 0.0039 -0.0107 1782 ASP 94 CG -0.0008 0.0066 -0.0119 1783 ASP 94 OD1 0.0002 0.0081 -0.0108 1784 ASP 94 OD2 -0.0020 0.0059 -0.0133 1785 LYS 95 N 0.0033 -0.0006 -0.0085 1786 LYS 95 CA 0.0046 -0.0027 -0.0075 1787 LYS 95 C 0.0059 -0.0037 -0.0062 1788 LYS 95 O 0.0073 -0.0045 -0.0049 1789 LYS 95 CB 0.0029 -0.0051 -0.0093 1790 LYS 95 CG 0.0014 -0.0048 -0.0109 1791 LYS 95 CD 0.0027 -0.0050 -0.0095 1792 LYS 95 CE 0.0012 -0.0054 -0.0111 1793 LYS 95 NZ 0.0020 -0.0053 -0.0103 1794 LEU 96 N 0.0055 -0.0030 -0.0065 1795 LEU 96 CA 0.0070 -0.0034 -0.0051 1796 LEU 96 C 0.0085 -0.0015 -0.0033 1797 LEU 96 O 0.0099 -0.0021 -0.0020 1798 LEU 96 CB 0.0061 -0.0045 -0.0061 1799 LEU 96 CG 0.0044 -0.0064 -0.0080 1800 LEU 96 CD1 0.0035 -0.0067 -0.0089 1801 LEU 96 CD2 0.0058 -0.0090 -0.0068 1802 HIS 97 N 0.0075 -0.0012 -0.0016 1803 HIS 97 CA 0.0078 -0.0007 -0.0013 1804 HIS 97 C 0.0077 -0.0010 -0.0015 1805 HIS 97 O 0.0081 -0.0009 -0.0014 1806 HIS 97 CB 0.0087 -0.0005 -0.0009 1807 HIS 97 CG 0.0089 -0.0003 -0.0008 1808 HIS 97 ND1 0.0084 0.0002 -0.0005 1809 HIS 97 CD2 0.0094 -0.0007 -0.0010 1810 HIS 97 CE1 0.0087 0.0002 -0.0005 1811 HIS 97 NE2 0.0093 -0.0003 -0.0007 1812 VAL 98 N 0.0069 -0.0012 -0.0018 1813 VAL 98 CA 0.0068 -0.0016 -0.0021 1814 VAL 98 C 0.0062 -0.0010 -0.0018 1815 VAL 98 O 0.0055 -0.0008 -0.0018 1816 VAL 98 CB 0.0063 -0.0022 -0.0026 1817 VAL 98 CG1 0.0061 -0.0025 -0.0029 1818 VAL 98 CG2 0.0068 -0.0028 -0.0030 1819 ASP 99 N 0.0065 -0.0009 -0.0016 1820 ASP 99 CA 0.0061 -0.0003 -0.0013 1821 ASP 99 C 0.0054 -0.0007 -0.0018 1822 ASP 99 O 0.0054 -0.0013 -0.0022 1823 ASP 99 CB 0.0066 -0.0003 -0.0012 1824 ASP 99 CG 0.0062 0.0001 -0.0010 1825 ASP 99 OD1 0.0068 0.0002 -0.0008 1826 ASP 99 OD2 0.0055 0.0003 -0.0010 1827 PRO 100 N 0.0049 -0.0035 -0.0035 1828 PRO 100 CA 0.0044 -0.0033 -0.0041 1829 PRO 100 C 0.0050 -0.0028 -0.0035 1830 PRO 100 O 0.0047 -0.0030 -0.0038 1831 PRO 100 CB 0.0038 -0.0025 -0.0049 1832 PRO 100 CG 0.0039 -0.0023 -0.0049 1833 PRO 100 CD 0.0046 -0.0027 -0.0040 1834 GLU 101 N 0.0058 -0.0025 -0.0027 1835 GLU 101 CA 0.0064 -0.0022 -0.0020 1836 GLU 101 C 0.0065 -0.0032 -0.0017 1837 GLU 101 O 0.0064 -0.0033 -0.0018 1838 GLU 101 CB 0.0072 -0.0016 -0.0013 1839 GLU 101 CG 0.0079 -0.0013 -0.0006 1840 GLU 101 CD 0.0075 0.0001 -0.0013 1841 GLU 101 OE1 0.0071 0.0005 -0.0018 1842 GLU 101 OE2 0.0080 -0.0003 -0.0007 1843 ASN 102 N 0.0062 -0.0045 -0.0017 1844 ASN 102 CA 0.0062 -0.0055 -0.0015 1845 ASN 102 C 0.0055 -0.0057 -0.0022 1846 ASN 102 O 0.0057 -0.0063 -0.0020 1847 ASN 102 CB 0.0060 -0.0066 -0.0015 1848 ASN 102 CG 0.0068 -0.0067 -0.0005 1849 ASN 102 OD1 0.0073 -0.0069 0.0001 1850 ASN 102 ND2 0.0067 -0.0065 -0.0007 1851 PHE 103 N 0.0037 -0.0069 -0.0052 1852 PHE 103 CA 0.0037 -0.0067 -0.0058 1853 PHE 103 C 0.0040 -0.0058 -0.0056 1854 PHE 103 O 0.0041 -0.0056 -0.0057 1855 PHE 103 CB 0.0037 -0.0068 -0.0067 1856 PHE 103 CG 0.0034 -0.0076 -0.0070 1857 PHE 103 CD1 0.0032 -0.0083 -0.0066 1858 PHE 103 CD2 0.0033 -0.0076 -0.0074 1859 PHE 103 CE1 0.0029 -0.0090 -0.0068 1860 PHE 103 CE2 0.0031 -0.0084 -0.0076 1861 PHE 103 CZ 0.0029 -0.0091 -0.0073 1862 ARG 104 N 0.0042 -0.0053 -0.0053 1863 ARG 104 CA 0.0045 -0.0045 -0.0052 1864 ARG 104 C 0.0045 -0.0044 -0.0045 1865 ARG 104 O 0.0047 -0.0039 -0.0043 1866 ARG 104 CB 0.0046 -0.0040 -0.0051 1867 ARG 104 CG 0.0046 -0.0039 -0.0059 1868 ARG 104 CD 0.0047 -0.0036 -0.0060 1869 ARG 104 NE 0.0045 -0.0040 -0.0068 1870 ARG 104 CZ 0.0049 -0.0030 -0.0067 1871 ARG 104 NH1 0.0050 -0.0029 -0.0057 1872 ARG 104 NH2 0.0049 -0.0026 -0.0078 1873 LEU 105 N 0.0044 -0.0049 -0.0038 1874 LEU 105 CA 0.0045 -0.0049 -0.0030 1875 LEU 105 C 0.0044 -0.0053 -0.0031 1876 LEU 105 O 0.0045 -0.0049 -0.0028 1877 LEU 105 CB 0.0043 -0.0055 -0.0024 1878 LEU 105 CG 0.0044 -0.0052 -0.0020 1879 LEU 105 CD1 0.0042 -0.0059 -0.0015 1880 LEU 105 CD2 0.0047 -0.0044 -0.0015 1881 LEU 106 N 0.0033 -0.0040 -0.0060 1882 LEU 106 CA 0.0036 -0.0037 -0.0065 1883 LEU 106 C 0.0036 -0.0033 -0.0068 1884 LEU 106 O 0.0035 -0.0029 -0.0072 1885 LEU 106 CB 0.0042 -0.0040 -0.0066 1886 LEU 106 CG 0.0045 -0.0038 -0.0071 1887 LEU 106 CD1 0.0043 -0.0035 -0.0072 1888 LEU 106 CD2 0.0050 -0.0041 -0.0072 1889 GLY 107 N 0.0036 -0.0034 -0.0068 1890 GLY 107 CA 0.0036 -0.0031 -0.0071 1891 GLY 107 C 0.0030 -0.0027 -0.0070 1892 GLY 107 O 0.0030 -0.0023 -0.0074 1893 ASN 108 N 0.0026 -0.0027 -0.0067 1894 ASN 108 CA 0.0021 -0.0023 -0.0067 1895 ASN 108 C 0.0021 -0.0020 -0.0070 1896 ASN 108 O 0.0019 -0.0016 -0.0072 1897 ASN 108 CB 0.0017 -0.0025 -0.0063 1898 ASN 108 CG 0.0016 -0.0026 -0.0061 1899 ASN 108 OD1 0.0018 -0.0024 -0.0064 1900 ASN 108 ND2 0.0013 -0.0028 -0.0057 1901 VAL 109 N 0.0017 -0.0021 -0.0053 1902 VAL 109 CA 0.0016 -0.0020 -0.0050 1903 VAL 109 C 0.0018 -0.0018 -0.0054 1904 VAL 109 O 0.0018 -0.0014 -0.0052 1905 VAL 109 CB 0.0013 -0.0027 -0.0047 1906 VAL 109 CG1 0.0012 -0.0026 -0.0045 1907 VAL 109 CG2 0.0009 -0.0028 -0.0041 1908 LEU 110 N 0.0021 -0.0021 -0.0061 1909 LEU 110 CA 0.0024 -0.0019 -0.0066 1910 LEU 110 C 0.0026 -0.0011 -0.0066 1911 LEU 110 O 0.0027 -0.0007 -0.0066 1912 LEU 110 CB 0.0026 -0.0024 -0.0072 1913 LEU 110 CG 0.0030 -0.0022 -0.0077 1914 LEU 110 CD1 0.0029 -0.0023 -0.0075 1915 LEU 110 CD2 0.0032 -0.0026 -0.0083 1916 VAL 111 N 0.0027 -0.0008 -0.0067 1917 VAL 111 CA 0.0029 -0.0001 -0.0067 1918 VAL 111 C 0.0026 0.0003 -0.0062 1919 VAL 111 O 0.0028 0.0009 -0.0062 1920 VAL 111 CB 0.0029 0.0000 -0.0068 1921 VAL 111 CG1 0.0031 0.0008 -0.0068 1922 VAL 111 CG2 0.0033 -0.0003 -0.0075 1923 CYS 112 N 0.0006 -0.0022 -0.0066 1924 CYS 112 CA 0.0001 -0.0017 -0.0059 1925 CYS 112 C -0.0002 -0.0011 -0.0050 1926 CYS 112 O 0.0001 -0.0005 -0.0043 1927 CYS 112 CB -0.0009 -0.0019 -0.0059 1928 CYS 112 SG -0.0004 -0.0026 -0.0068 1929 VAL 113 N -0.0008 -0.0014 -0.0052 1930 VAL 113 CA -0.0010 -0.0008 -0.0044 1931 VAL 113 C -0.0000 -0.0004 -0.0041 1932 VAL 113 O -0.0001 0.0004 -0.0031 1933 VAL 113 CB -0.0020 -0.0011 -0.0046 1934 VAL 113 CG1 -0.0022 -0.0006 -0.0039 1935 VAL 113 CG2 -0.0031 -0.0014 -0.0047 1936 LEU 114 N 0.0009 -0.0006 -0.0046 1937 LEU 114 CA 0.0020 -0.0001 -0.0042 1938 LEU 114 C 0.0024 0.0004 -0.0036 1939 LEU 114 O 0.0030 0.0011 -0.0030 1940 LEU 114 CB 0.0026 -0.0006 -0.0050 1941 LEU 114 CG 0.0022 -0.0011 -0.0055 1942 LEU 114 CD1 0.0029 -0.0016 -0.0064 1943 LEU 114 CD2 0.0020 -0.0006 -0.0048 1944 ALA 115 N 0.0003 -0.0033 -0.0039 1945 ALA 115 CA 0.0009 -0.0031 -0.0035 1946 ALA 115 C 0.0000 -0.0021 -0.0027 1947 ALA 115 O 0.0006 -0.0015 -0.0019 1948 ALA 115 CB 0.0007 -0.0039 -0.0044 1949 HIS 116 N -0.0013 -0.0020 -0.0029 1950 HIS 116 CA -0.0021 -0.0011 -0.0021 1951 HIS 116 C -0.0018 -0.0003 -0.0012 1952 HIS 116 O -0.0017 0.0005 -0.0004 1953 HIS 116 CB -0.0035 -0.0012 -0.0026 1954 HIS 116 CG -0.0045 -0.0005 -0.0021 1955 HIS 116 ND1 -0.0055 0.0001 -0.0017 1956 HIS 116 CD2 -0.0046 -0.0000 -0.0017 1957 HIS 116 CE1 -0.0063 0.0007 -0.0013 1958 HIS 116 NE2 -0.0057 0.0007 -0.0011 1959 HIS 117 N -0.0017 -0.0003 -0.0012 1960 HIS 117 CA -0.0013 0.0004 -0.0004 1961 HIS 117 C -0.0000 0.0007 0.0001 1962 HIS 117 O 0.0001 0.0016 0.0011 1963 HIS 117 CB -0.0013 0.0002 -0.0007 1964 HIS 117 CG -0.0022 0.0008 -0.0003 1965 HIS 117 ND1 -0.0037 0.0003 -0.0011 1966 HIS 117 CD2 -0.0025 0.0016 0.0006 1967 HIS 117 CE1 -0.0051 0.0008 -0.0009 1968 HIS 117 NE2 -0.0044 0.0011 -0.0004 1969 PHE 118 N -0.0041 0.0044 0.0013 1970 PHE 118 CA 0.0043 0.0058 0.0027 1971 PHE 118 C 0.0066 0.0077 0.0044 1972 PHE 118 O 0.0134 0.0106 0.0071 1973 PHE 118 CB 0.0093 0.0016 -0.0010 1974 PHE 118 CG 0.0084 0.0021 -0.0006 1975 PHE 118 CD1 0.0042 -0.0027 -0.0049 1976 PHE 118 CD2 0.0097 0.0075 0.0043 1977 PHE 118 CE1 0.0034 -0.0029 -0.0050 1978 PHE 118 CE2 0.0104 0.0062 0.0032 1979 PHE 118 CZ 0.0047 0.0033 0.0005 1980 GLY 119 N 0.0021 0.0058 0.0026 1981 GLY 119 CA 0.0043 0.0077 0.0044 1982 GLY 119 C 0.0125 0.0054 0.0024 1983 GLY 119 O 0.0160 0.0001 -0.0022 1984 LYS 120 N 0.0174 0.0092 0.0059 1985 LYS 120 CA 0.0258 0.0073 0.0044 1986 LYS 120 C 0.0326 0.0059 0.0033 1987 LYS 120 O 0.0384 0.0024 0.0003 1988 LYS 120 CB 0.0307 0.0131 0.0096 1989 LYS 120 CG 0.0333 0.0178 0.0138 1990 LYS 120 CD 0.0378 0.0231 0.0186 1991 LYS 120 CE 0.0406 0.0274 0.0224 1992 LYS 120 NZ 0.0461 0.0318 0.0265 1993 GLU 121 N 0.0162 0.0099 0.0001 1994 GLU 121 CA 0.0172 0.0092 -0.0010 1995 GLU 121 C 0.0168 0.0072 -0.0034 1996 GLU 121 O 0.0184 0.0066 -0.0047 1997 GLU 121 CB 0.0163 0.0097 -0.0002 1998 GLU 121 CG 0.0176 0.0099 -0.0003 1999 GLU 121 CD 0.0155 0.0101 0.0006 2000 GLU 121 OE1 0.0176 0.0093 -0.0011 2001 GLU 121 OE2 0.0158 0.0114 0.0021 2002 PHE 122 N 0.0150 0.0065 -0.0038 2003 PHE 122 CA 0.0146 0.0047 -0.0059 2004 PHE 122 C 0.0164 0.0045 -0.0067 2005 PHE 122 O 0.0156 0.0042 -0.0069 2006 PHE 122 CB 0.0118 0.0042 -0.0058 2007 PHE 122 CG 0.0112 0.0024 -0.0079 2008 PHE 122 CD1 0.0113 0.0017 -0.0087 2009 PHE 122 CD2 0.0104 0.0015 -0.0088 2010 PHE 122 CE1 0.0106 0.0001 -0.0106 2011 PHE 122 CE2 0.0097 -0.0002 -0.0108 2012 PHE 122 CZ 0.0100 -0.0008 -0.0115 2013 THR 123 N 0.0186 0.0048 -0.0070 2014 THR 123 CA 0.0205 0.0048 -0.0076 2015 THR 123 C 0.0201 0.0029 -0.0098 2016 THR 123 O 0.0193 0.0020 -0.0107 2017 THR 123 CB 0.0230 0.0053 -0.0076 2018 THR 123 OG1 0.0236 0.0046 -0.0087 2019 THR 123 CG2 0.0235 0.0071 -0.0055 2020 PRO 124 N 0.0122 0.0036 -0.0073 2021 PRO 124 CA 0.0120 0.0019 -0.0076 2022 PRO 124 C 0.0134 0.0012 -0.0077 2023 PRO 124 O 0.0131 -0.0000 -0.0079 2024 PRO 124 CB 0.0117 0.0017 -0.0076 2025 PRO 124 CG 0.0110 0.0032 -0.0073 2026 PRO 124 CD 0.0118 0.0046 -0.0071 2027 PRO 125 N 0.0148 0.0015 -0.0077 2028 PRO 125 CA 0.0162 0.0008 -0.0078 2029 PRO 125 C 0.0162 0.0008 -0.0078 2030 PRO 125 O 0.0166 -0.0003 -0.0080 2031 PRO 125 CB 0.0177 0.0014 -0.0077 2032 PRO 125 CG 0.0171 0.0021 -0.0076 2033 PRO 125 CD 0.0156 0.0028 -0.0074 2034 VAL 126 N 0.0158 0.0020 -0.0076 2035 VAL 126 CA 0.0157 0.0021 -0.0076 2036 VAL 126 C 0.0143 0.0014 -0.0077 2037 VAL 126 O 0.0146 0.0004 -0.0079 2038 VAL 126 CB 0.0153 0.0039 -0.0072 2039 VAL 126 CG1 0.0153 0.0039 -0.0072 2040 VAL 126 CG2 0.0168 0.0047 -0.0071 2041 GLN 127 N 0.0109 0.0034 -0.0082 2042 GLN 127 CA 0.0105 0.0033 -0.0090 2043 GLN 127 C 0.0107 0.0029 -0.0089 2044 GLN 127 O 0.0105 0.0030 -0.0091 2045 GLN 127 CB 0.0100 0.0030 -0.0100 2046 GLN 127 CG 0.0095 0.0029 -0.0108 2047 GLN 127 CD 0.0092 0.0024 -0.0117 2048 GLN 127 OE1 0.0092 0.0021 -0.0118 2049 GLN 127 NE2 0.0087 0.0022 -0.0125 2050 ALA 128 N 0.0111 0.0017 -0.0087 2051 ALA 128 CA 0.0113 0.0011 -0.0085 2052 ALA 128 C 0.0116 0.0015 -0.0078 2053 ALA 128 O 0.0115 0.0015 -0.0080 2054 ALA 128 CB 0.0117 -0.0001 -0.0083 2055 ALA 129 N 0.0120 0.0021 -0.0069 2056 ALA 129 CA 0.0122 0.0027 -0.0062 2057 ALA 129 C 0.0117 0.0037 -0.0067 2058 ALA 129 O 0.0118 0.0038 -0.0065 2059 ALA 129 CB 0.0126 0.0031 -0.0053 2060 TYR 130 N 0.0077 0.0017 -0.0072 2061 TYR 130 CA 0.0078 0.0021 -0.0073 2062 TYR 130 C 0.0081 0.0025 -0.0075 2063 TYR 130 O 0.0081 0.0029 -0.0076 2064 TYR 130 CB 0.0081 0.0018 -0.0075 2065 TYR 130 CG 0.0079 0.0017 -0.0073 2066 TYR 130 CD1 0.0078 0.0020 -0.0073 2067 TYR 130 CD2 0.0077 0.0012 -0.0072 2068 TYR 130 CE1 0.0076 0.0019 -0.0071 2069 TYR 130 CE2 0.0074 0.0011 -0.0070 2070 TYR 130 CZ 0.0074 0.0014 -0.0070 2071 TYR 130 OH 0.0072 0.0014 -0.0068 2072 GLN 131 N 0.0083 0.0024 -0.0077 2073 GLN 131 CA 0.0085 0.0027 -0.0078 2074 GLN 131 C 0.0082 0.0031 -0.0076 2075 GLN 131 O 0.0083 0.0035 -0.0077 2076 GLN 131 CB 0.0087 0.0025 -0.0080 2077 GLN 131 CG 0.0090 0.0022 -0.0083 2078 GLN 131 CD 0.0094 0.0024 -0.0086 2079 GLN 131 OE1 0.0096 0.0021 -0.0088 2080 GLN 131 NE2 0.0095 0.0028 -0.0087 2081 LYS 132 N 0.0079 0.0030 -0.0074 2082 LYS 132 CA 0.0076 0.0033 -0.0072 2083 LYS 132 C 0.0075 0.0037 -0.0071 2084 LYS 132 O 0.0075 0.0041 -0.0071 2085 LYS 132 CB 0.0073 0.0031 -0.0069 2086 LYS 132 CG 0.0074 0.0029 -0.0069 2087 LYS 132 CD 0.0070 0.0027 -0.0066 2088 LYS 132 CE 0.0072 0.0024 -0.0068 2089 LYS 132 NZ 0.0067 0.0023 -0.0064 2090 VAL 133 N 0.0039 -0.0040 -0.0062 2091 VAL 133 CA 0.0037 -0.0037 -0.0061 2092 VAL 133 C 0.0031 -0.0037 -0.0063 2093 VAL 133 O 0.0030 -0.0038 -0.0065 2094 VAL 133 CB 0.0037 -0.0032 -0.0057 2095 VAL 133 CG1 0.0035 -0.0029 -0.0056 2096 VAL 133 CG2 0.0044 -0.0032 -0.0054 2097 VAL 134 N 0.0027 -0.0036 -0.0065 2098 VAL 134 CA 0.0022 -0.0035 -0.0067 2099 VAL 134 C 0.0022 -0.0040 -0.0071 2100 VAL 134 O 0.0018 -0.0041 -0.0074 2101 VAL 134 CB 0.0017 -0.0034 -0.0068 2102 VAL 134 CG1 0.0018 -0.0028 -0.0064 2103 VAL 134 CG2 0.0018 -0.0036 -0.0070 2104 ALA 135 N 0.0024 -0.0045 -0.0073 2105 ALA 135 CA 0.0024 -0.0050 -0.0076 2106 ALA 135 C 0.0026 -0.0050 -0.0076 2107 ALA 135 O 0.0024 -0.0053 -0.0079 2108 ALA 135 CB 0.0027 -0.0053 -0.0078 2109 GLY 136 N 0.0010 -0.0105 -0.0062 2110 GLY 136 CA 0.0006 -0.0102 -0.0058 2111 GLY 136 C -0.0000 -0.0096 -0.0059 2112 GLY 136 O -0.0003 -0.0092 -0.0062 2113 VAL 137 N -0.0003 -0.0094 -0.0055 2114 VAL 137 CA -0.0009 -0.0088 -0.0056 2115 VAL 137 C -0.0011 -0.0085 -0.0065 2116 VAL 137 O -0.0015 -0.0081 -0.0067 2117 VAL 137 CB -0.0010 -0.0087 -0.0051 2118 VAL 137 CG1 -0.0017 -0.0080 -0.0052 2119 VAL 137 CG2 -0.0009 -0.0089 -0.0042 2120 ALA 138 N -0.0007 -0.0088 -0.0071 2121 ALA 138 CA -0.0009 -0.0086 -0.0080 2122 ALA 138 C -0.0010 -0.0085 -0.0084 2123 ALA 138 O -0.0013 -0.0082 -0.0089 2124 ALA 138 CB -0.0004 -0.0091 -0.0084 2125 ASN 139 N -0.0011 -0.0146 -0.0080 2126 ASN 139 CA -0.0014 -0.0138 -0.0073 2127 ASN 139 C -0.0022 -0.0123 -0.0058 2128 ASN 139 O -0.0022 -0.0108 -0.0061 2129 ASN 139 CB -0.0017 -0.0154 -0.0061 2130 ASN 139 CG -0.0014 -0.0159 -0.0068 2131 ASN 139 OD1 -0.0006 -0.0166 -0.0088 2132 ASN 139 ND2 -0.0011 -0.0188 -0.0070 2133 ALA 140 N -0.0026 -0.0123 -0.0047 2134 ALA 140 CA -0.0033 -0.0108 -0.0034 2135 ALA 140 C -0.0030 -0.0091 -0.0044 2136 ALA 140 O -0.0033 -0.0073 -0.0040 2137 ALA 140 CB -0.0038 -0.0114 -0.0018 2138 LEU 141 N -0.0025 -0.0089 -0.0057 2139 LEU 141 CA -0.0022 -0.0073 -0.0069 2140 LEU 141 C -0.0019 -0.0063 -0.0077 2141 LEU 141 O -0.0017 -0.0047 -0.0086 2142 LEU 141 CB -0.0017 -0.0077 -0.0079 2143 LEU 141 CG -0.0021 -0.0076 -0.0069 2144 LEU 141 CD1 -0.0016 -0.0081 -0.0082 2145 LEU 141 CD2 -0.0025 -0.0056 -0.0064 2146 ALA 142 N -0.0003 -0.0085 -0.0081 2147 ALA 142 CA 0.0003 -0.0077 -0.0096 2148 ALA 142 C -0.0006 -0.0064 -0.0076 2149 ALA 142 O -0.0000 -0.0052 -0.0091 2150 ALA 142 CB 0.0010 -0.0098 -0.0113 2151 HIS 143 N -0.0013 -0.0069 -0.0055 2152 HIS 143 CA -0.0021 -0.0068 -0.0035 2153 HIS 143 C -0.0021 -0.0035 -0.0037 2154 HIS 143 O -0.0023 -0.0032 -0.0033 2155 HIS 143 CB -0.0029 -0.0074 -0.0011 2156 HIS 143 CG -0.0037 -0.0075 0.0009 2157 HIS 143 ND1 -0.0044 -0.0050 0.0026 2158 HIS 143 CD2 -0.0034 -0.0088 0.0002 2159 HIS 143 CE1 -0.0048 -0.0067 0.0038 2160 HIS 143 NE2 -0.0040 -0.0084 0.0020 2161 LYS 144 N -0.0021 -0.0016 -0.0041 2162 LYS 144 CA -0.0023 0.0011 -0.0038 2163 LYS 144 C -0.0015 0.0020 -0.0061 2164 LYS 144 O -0.0015 0.0047 -0.0064 2165 LYS 144 CB -0.0029 0.0024 -0.0024 2166 LYS 144 CG -0.0040 0.0016 0.0006 2167 LYS 144 CD -0.0046 0.0029 0.0023 2168 LYS 144 CE -0.0058 0.0047 0.0052 2169 LYS 144 NZ -0.0064 0.0069 0.0066 2170 TYR 145 N 0.0022 0.0008 -0.0112 2171 TYR 145 CA 0.0027 0.0009 -0.0107 2172 TYR 145 C 0.0026 0.0014 -0.0111 2173 TYR 145 O 0.0026 0.0021 -0.0117 2174 TYR 145 CB 0.0032 0.0010 -0.0100 2175 TYR 145 CG 0.0034 0.0002 -0.0092 2176 TYR 145 CD1 0.0037 -0.0001 -0.0086 2177 TYR 145 CD2 0.0030 -0.0001 -0.0095 2178 TYR 145 CE1 0.0037 -0.0008 -0.0080 2179 TYR 145 CE2 0.0030 -0.0010 -0.0089 2180 TYR 145 CZ 0.0034 -0.0013 -0.0082 2181 TYR 145 OH 0.0035 -0.0019 -0.0076 2182 HIS 146 N 0.0026 0.0013 -0.0110 2183 HIS 146 CA 0.0026 0.0017 -0.0114 2184 HIS 146 C 0.0029 0.0015 -0.0108 2185 HIS 146 O 0.0030 0.0008 -0.0102 2186 HIS 146 CB 0.0020 0.0016 -0.0122 2187 HIS 146 CG 0.0016 0.0005 -0.0119 2188 HIS 146 ND1 0.0012 0.0003 -0.0124 2189 HIS 146 CD2 0.0014 -0.0002 -0.0118 2190 HIS 146 CE1 0.0007 -0.0008 -0.0123 2191 HIS 146 NE2 0.0011 -0.0008 -0.0117 2192 HIS 146 OXT 0.0030 0.0019 -0.0110 2193 VAL 1 N 0.0022 -0.0127 0.0060 2194 VAL 1 CA 0.0061 -0.0132 0.0068 2195 VAL 1 C 0.0065 -0.0101 0.0061 2196 VAL 1 O 0.0057 -0.0086 0.0057 2197 VAL 1 CB 0.0055 -0.0136 0.0068 2198 VAL 1 CG1 0.0092 -0.0129 0.0072 2199 VAL 1 CG2 0.0085 -0.0164 0.0079 2200 LEU 2 N 0.0072 -0.0093 0.0061 2201 LEU 2 CA 0.0073 -0.0071 0.0056 2202 LEU 2 C 0.0096 -0.0057 0.0057 2203 LEU 2 O 0.0113 -0.0068 0.0062 2204 LEU 2 CB 0.0075 -0.0069 0.0056 2205 LEU 2 CG 0.0050 -0.0068 0.0052 2206 LEU 2 CD1 0.0051 -0.0070 0.0053 2207 LEU 2 CD2 0.0033 -0.0061 0.0047 2208 SER 3 N 0.0094 -0.0045 0.0054 2209 SER 3 CA 0.0114 -0.0032 0.0055 2210 SER 3 C 0.0124 -0.0019 0.0053 2211 SER 3 O 0.0115 -0.0009 0.0050 2212 SER 3 CB 0.0106 -0.0023 0.0051 2213 SER 3 OG 0.0095 -0.0003 0.0045 2214 PRO 4 N 0.0190 -0.0021 0.0133 2215 PRO 4 CA 0.0200 -0.0005 0.0127 2216 PRO 4 C 0.0179 0.0026 0.0095 2217 PRO 4 O 0.0167 0.0030 0.0087 2218 PRO 4 CB 0.0244 0.0012 0.0139 2219 PRO 4 CG 0.0255 -0.0015 0.0163 2220 PRO 4 CD 0.0220 -0.0030 0.0154 2221 ALA 5 N 0.0177 0.0036 0.0088 2222 ALA 5 CA 0.0155 0.0063 0.0059 2223 ALA 5 C 0.0113 0.0048 0.0047 2224 ALA 5 O 0.0096 0.0063 0.0028 2225 ALA 5 CB 0.0154 0.0085 0.0043 2226 ASP 6 N 0.0099 0.0020 0.0058 2227 ASP 6 CA 0.0061 0.0001 0.0051 2228 ASP 6 C 0.0057 -0.0003 0.0052 2229 ASP 6 O 0.0028 -0.0002 0.0036 2230 ASP 6 CB 0.0048 -0.0034 0.0068 2231 ASP 6 CG 0.0041 -0.0028 0.0061 2232 ASP 6 OD1 0.0026 -0.0002 0.0036 2233 ASP 6 OD2 0.0046 -0.0052 0.0079 2234 LYS 7 N 0.0069 -0.0031 0.0058 2235 LYS 7 CA 0.0067 -0.0018 0.0048 2236 LYS 7 C 0.0065 0.0000 0.0035 2237 LYS 7 O 0.0052 0.0014 0.0029 2238 LYS 7 CB 0.0084 -0.0032 0.0053 2239 LYS 7 CG 0.0083 -0.0052 0.0069 2240 LYS 7 CD 0.0094 -0.0065 0.0075 2241 LYS 7 CE 0.0105 -0.0081 0.0083 2242 LYS 7 NZ 0.0118 -0.0097 0.0091 2243 THR 8 N 0.0083 0.0004 0.0026 2244 THR 8 CA 0.0083 0.0026 0.0009 2245 THR 8 C 0.0064 0.0038 0.0007 2246 THR 8 O 0.0055 0.0055 -0.0003 2247 THR 8 CB 0.0110 0.0025 -0.0000 2248 THR 8 OG1 0.0127 0.0017 0.0000 2249 THR 8 CG2 0.0113 0.0044 -0.0016 2250 ASN 9 N 0.0053 0.0029 0.0017 2251 ASN 9 CA 0.0030 0.0038 0.0019 2252 ASN 9 C 0.0010 0.0043 0.0022 2253 ASN 9 O -0.0004 0.0060 0.0014 2254 ASN 9 CB 0.0026 0.0026 0.0029 2255 ASN 9 CG 0.0040 0.0028 0.0023 2256 ASN 9 OD1 0.0051 0.0041 0.0009 2257 ASN 9 ND2 0.0044 0.0013 0.0033 2258 VAL 10 N -0.0043 0.0007 0.0027 2259 VAL 10 CA -0.0048 0.0018 0.0030 2260 VAL 10 C -0.0048 0.0033 0.0019 2261 VAL 10 O -0.0052 0.0041 0.0024 2262 VAL 10 CB -0.0048 0.0017 0.0033 2263 VAL 10 CG1 -0.0053 0.0030 0.0038 2264 VAL 10 CG2 -0.0050 0.0008 0.0045 2265 LYS 11 N -0.0043 0.0029 0.0008 2266 LYS 11 CA -0.0042 0.0039 -0.0002 2267 LYS 11 C -0.0043 0.0043 -0.0003 2268 LYS 11 O -0.0046 0.0054 -0.0003 2269 LYS 11 CB -0.0038 0.0035 -0.0013 2270 LYS 11 CG -0.0037 0.0033 -0.0015 2271 LYS 11 CD -0.0031 0.0030 -0.0028 2272 LYS 11 CE -0.0030 0.0028 -0.0030 2273 LYS 11 NZ -0.0024 0.0011 -0.0035 2274 ALA 12 N -0.0041 0.0033 -0.0001 2275 ALA 12 CA -0.0043 0.0038 0.0001 2276 ALA 12 C -0.0048 0.0047 0.0008 2277 ALA 12 O -0.0051 0.0058 0.0009 2278 ALA 12 CB -0.0041 0.0029 0.0001 2279 ALA 13 N -0.0153 0.0085 0.0020 2280 ALA 13 CA -0.0143 0.0079 0.0010 2281 ALA 13 C -0.0134 0.0069 0.0011 2282 ALA 13 O -0.0126 0.0058 0.0013 2283 ALA 13 CB -0.0143 0.0088 -0.0004 2284 TRP 14 N -0.0133 0.0069 0.0008 2285 TRP 14 CA -0.0123 0.0059 0.0006 2286 TRP 14 C -0.0123 0.0050 0.0021 2287 TRP 14 O -0.0115 0.0038 0.0024 2288 TRP 14 CB -0.0125 0.0062 0.0004 2289 TRP 14 CG -0.0114 0.0054 -0.0004 2290 TRP 14 CD1 -0.0111 0.0045 0.0005 2291 TRP 14 CD2 -0.0106 0.0054 -0.0017 2292 TRP 14 NE1 -0.0101 0.0041 -0.0007 2293 TRP 14 CE2 -0.0097 0.0043 -0.0018 2294 TRP 14 CE3 -0.0106 0.0059 -0.0026 2295 TRP 14 CZ2 -0.0088 0.0039 -0.0029 2296 TRP 14 CZ3 -0.0097 0.0056 -0.0039 2297 TRP 14 CH2 -0.0087 0.0043 -0.0038 2298 GLY 15 N -0.0130 0.0051 0.0032 2299 GLY 15 CA -0.0134 0.0046 0.0048 2300 GLY 15 C -0.0128 0.0038 0.0049 2301 GLY 15 O -0.0118 0.0025 0.0054 2302 LYS 16 N -0.0165 0.0028 0.0109 2303 LYS 16 CA -0.0158 0.0021 0.0107 2304 LYS 16 C -0.0141 0.0011 0.0097 2305 LYS 16 O -0.0133 -0.0004 0.0097 2306 LYS 16 CB -0.0156 0.0024 0.0104 2307 LYS 16 CG -0.0165 0.0012 0.0118 2308 LYS 16 CD -0.0147 0.0004 0.0105 2309 LYS 16 CE -0.0147 -0.0019 0.0117 2310 LYS 16 NZ -0.0129 -0.0026 0.0105 2311 VAL 17 N -0.0138 0.0019 0.0090 2312 VAL 17 CA -0.0125 0.0014 0.0081 2313 VAL 17 C -0.0126 -0.0001 0.0090 2314 VAL 17 O -0.0116 -0.0017 0.0089 2315 VAL 17 CB -0.0118 0.0028 0.0068 2316 VAL 17 CG1 -0.0110 0.0019 0.0065 2317 VAL 17 CG2 -0.0114 0.0039 0.0058 2318 GLY 18 N -0.0138 0.0005 0.0097 2319 GLY 18 CA -0.0139 -0.0012 0.0107 2320 GLY 18 C -0.0131 -0.0019 0.0103 2321 GLY 18 O -0.0122 -0.0012 0.0092 2322 ALA 19 N -0.0180 -0.0065 0.0131 2323 ALA 19 CA -0.0148 -0.0072 0.0123 2324 ALA 19 C -0.0118 -0.0075 0.0111 2325 ALA 19 O -0.0082 -0.0079 0.0097 2326 ALA 19 CB -0.0140 -0.0094 0.0151 2327 HIS 20 N -0.0120 -0.0069 0.0105 2328 HIS 20 CA -0.0092 -0.0069 0.0088 2329 HIS 20 C -0.0090 -0.0044 0.0051 2330 HIS 20 O -0.0068 -0.0041 0.0035 2331 HIS 20 CB -0.0106 -0.0068 0.0094 2332 HIS 20 CG -0.0116 -0.0090 0.0132 2333 HIS 20 ND1 -0.0076 -0.0109 0.0138 2334 HIS 20 CD2 -0.0142 -0.0096 0.0155 2335 HIS 20 CE1 -0.0094 -0.0131 0.0179 2336 HIS 20 NE2 -0.0134 -0.0115 0.0178 2337 ALA 21 N -0.0113 -0.0028 0.0041 2338 ALA 21 CA -0.0113 -0.0005 0.0007 2339 ALA 21 C -0.0075 -0.0004 -0.0014 2340 ALA 21 O -0.0069 0.0007 -0.0034 2341 ALA 21 CB -0.0139 0.0005 0.0007 2342 GLY 22 N -0.0050 -0.0014 0.0006 2343 GLY 22 CA -0.0027 -0.0011 0.0001 2344 GLY 22 C -0.0019 -0.0015 0.0009 2345 GLY 22 O -0.0008 -0.0010 -0.0002 2346 GLU 23 N -0.0018 -0.0024 0.0030 2347 GLU 23 CA -0.0010 -0.0028 0.0040 2348 GLU 23 C -0.0024 -0.0023 0.0028 2349 GLU 23 O -0.0013 -0.0022 0.0026 2350 GLU 23 CB -0.0017 -0.0040 0.0066 2351 GLU 23 CG -0.0001 -0.0044 0.0076 2352 GLU 23 CD -0.0008 -0.0058 0.0109 2353 GLU 23 OE1 -0.0032 -0.0058 0.0107 2354 GLU 23 OE2 -0.0020 -0.0056 0.0103 2355 TYR 24 N -0.0047 -0.0023 0.0027 2356 TYR 24 CA -0.0061 -0.0019 0.0017 2357 TYR 24 C -0.0054 -0.0008 -0.0007 2358 TYR 24 O -0.0055 -0.0004 -0.0016 2359 TYR 24 CB -0.0086 -0.0021 0.0020 2360 TYR 24 CG -0.0097 -0.0031 0.0043 2361 TYR 24 CD1 -0.0124 -0.0032 0.0043 2362 TYR 24 CD2 -0.0081 -0.0038 0.0060 2363 TYR 24 CE1 -0.0129 -0.0042 0.0067 2364 TYR 24 CE2 -0.0091 -0.0049 0.0083 2365 TYR 24 CZ -0.0115 -0.0048 0.0080 2366 TYR 24 OH -0.0123 -0.0058 0.0103 2367 GLY 25 N -0.0046 -0.0042 -0.0045 2368 GLY 25 CA -0.0042 -0.0035 -0.0056 2369 GLY 25 C -0.0029 -0.0025 -0.0047 2370 GLY 25 O -0.0028 -0.0025 -0.0045 2371 ALA 26 N -0.0018 -0.0018 -0.0034 2372 ALA 26 CA -0.0007 -0.0010 -0.0022 2373 ALA 26 C -0.0011 -0.0018 -0.0009 2374 ALA 26 O -0.0008 -0.0017 -0.0003 2375 ALA 26 CB 0.0006 -0.0001 -0.0013 2376 GLU 27 N -0.0022 -0.0031 0.0002 2377 GLU 27 CA -0.0026 -0.0040 0.0019 2378 GLU 27 C -0.0035 -0.0046 0.0009 2379 GLU 27 O -0.0034 -0.0046 0.0018 2380 GLU 27 CB -0.0038 -0.0052 0.0025 2381 GLU 27 CG -0.0042 -0.0061 0.0041 2382 GLU 27 CD -0.0052 -0.0072 0.0052 2383 GLU 27 OE1 -0.0064 -0.0085 0.0055 2384 GLU 27 OE2 -0.0050 -0.0070 0.0052 2385 ALA 28 N -0.0025 -0.0062 0.0034 2386 ALA 28 CA -0.0028 -0.0060 0.0029 2387 ALA 28 C -0.0021 -0.0055 0.0027 2388 ALA 28 O -0.0021 -0.0055 0.0027 2389 ALA 28 CB -0.0034 -0.0060 0.0024 2390 LEU 29 N -0.0018 -0.0051 0.0025 2391 LEU 29 CA -0.0011 -0.0046 0.0022 2392 LEU 29 C -0.0006 -0.0047 0.0027 2393 LEU 29 O -0.0003 -0.0045 0.0026 2394 LEU 29 CB -0.0008 -0.0042 0.0019 2395 LEU 29 CG -0.0012 -0.0040 0.0013 2396 LEU 29 CD1 -0.0009 -0.0038 0.0012 2397 LEU 29 CD2 -0.0014 -0.0037 0.0008 2398 GLU 30 N -0.0004 -0.0050 0.0033 2399 GLU 30 CA 0.0001 -0.0052 0.0039 2400 GLU 30 C -0.0001 -0.0054 0.0040 2401 GLU 30 O 0.0003 -0.0052 0.0041 2402 GLU 30 CB 0.0003 -0.0055 0.0045 2403 GLU 30 CG 0.0009 -0.0056 0.0050 2404 GLU 30 CD 0.0013 -0.0059 0.0058 2405 GLU 30 OE1 0.0009 -0.0060 0.0056 2406 GLU 30 OE2 0.0017 -0.0058 0.0059 2407 ARG 31 N 0.0008 -0.0034 0.0056 2408 ARG 31 CA 0.0009 -0.0029 0.0053 2409 ARG 31 C 0.0011 -0.0023 0.0049 2410 ARG 31 O 0.0014 -0.0021 0.0045 2411 ARG 31 CB 0.0006 -0.0026 0.0056 2412 ARG 31 CG 0.0006 -0.0030 0.0057 2413 ARG 31 CD 0.0002 -0.0027 0.0061 2414 ARG 31 NE 0.0001 -0.0031 0.0063 2415 ARG 31 CZ 0.0004 -0.0032 0.0060 2416 ARG 31 NH1 0.0007 -0.0028 0.0055 2417 ARG 31 NH2 0.0003 -0.0036 0.0062 2418 MET 32 N 0.0008 -0.0021 0.0052 2419 MET 32 CA 0.0009 -0.0016 0.0050 2420 MET 32 C 0.0013 -0.0019 0.0046 2421 MET 32 O 0.0015 -0.0015 0.0041 2422 MET 32 CB 0.0005 -0.0015 0.0055 2423 MET 32 CG 0.0005 -0.0010 0.0053 2424 MET 32 SD 0.0001 -0.0008 0.0058 2425 MET 32 CE 0.0002 -0.0016 0.0058 2426 PHE 33 N 0.0014 -0.0025 0.0046 2427 PHE 33 CA 0.0018 -0.0027 0.0042 2428 PHE 33 C 0.0021 -0.0028 0.0037 2429 PHE 33 O 0.0025 -0.0026 0.0032 2430 PHE 33 CB 0.0017 -0.0034 0.0044 2431 PHE 33 CG 0.0014 -0.0034 0.0049 2432 PHE 33 CD1 0.0013 -0.0030 0.0048 2433 PHE 33 CD2 0.0012 -0.0040 0.0052 2434 PHE 33 CE1 0.0010 -0.0030 0.0052 2435 PHE 33 CE2 0.0009 -0.0039 0.0056 2436 PHE 33 CZ 0.0008 -0.0034 0.0056 2437 LEU 34 N 0.0014 -0.0025 0.0040 2438 LEU 34 CA 0.0022 -0.0027 0.0036 2439 LEU 34 C 0.0024 -0.0019 0.0033 2440 LEU 34 O 0.0032 -0.0016 0.0029 2441 LEU 34 CB 0.0022 -0.0036 0.0037 2442 LEU 34 CG 0.0022 -0.0045 0.0038 2443 LEU 34 CD1 0.0022 -0.0054 0.0039 2444 LEU 34 CD2 0.0029 -0.0048 0.0034 2445 SER 35 N 0.0018 -0.0014 0.0037 2446 SER 35 CA 0.0020 -0.0006 0.0035 2447 SER 35 C 0.0022 0.0003 0.0033 2448 SER 35 O 0.0025 0.0009 0.0030 2449 SER 35 CB 0.0013 -0.0004 0.0039 2450 SER 35 OG 0.0013 -0.0012 0.0040 2451 PHE 36 N 0.0017 0.0006 0.0035 2452 PHE 36 CA 0.0017 0.0015 0.0035 2453 PHE 36 C 0.0018 0.0012 0.0034 2454 PHE 36 O 0.0012 0.0012 0.0038 2455 PHE 36 CB 0.0009 0.0020 0.0039 2456 PHE 36 CG 0.0007 0.0022 0.0040 2457 PHE 36 CD1 0.0001 0.0016 0.0045 2458 PHE 36 CD2 0.0012 0.0028 0.0037 2459 PHE 36 CE1 -0.0002 0.0017 0.0046 2460 PHE 36 CE2 0.0009 0.0029 0.0038 2461 PHE 36 CZ 0.0003 0.0023 0.0043 2462 PRO 37 N 0.0053 0.0041 -0.0001 2463 PRO 37 CA 0.0054 0.0025 -0.0004 2464 PRO 37 C 0.0053 0.0023 0.0001 2465 PRO 37 O 0.0052 0.0010 0.0005 2466 PRO 37 CB 0.0058 0.0021 -0.0021 2467 PRO 37 CG 0.0059 0.0033 -0.0027 2468 PRO 37 CD 0.0056 0.0044 -0.0014 2469 THR 38 N 0.0052 0.0036 0.0002 2470 THR 38 CA 0.0051 0.0035 0.0009 2471 THR 38 C 0.0047 0.0029 0.0023 2472 THR 38 O 0.0047 0.0023 0.0027 2473 THR 38 CB 0.0052 0.0054 0.0000 2474 THR 38 OG1 0.0048 0.0063 0.0015 2475 THR 38 CG2 0.0052 0.0063 0.0000 2476 THR 39 N 0.0045 0.0032 0.0032 2477 THR 39 CA 0.0041 0.0026 0.0048 2478 THR 39 C 0.0042 0.0007 0.0049 2479 THR 39 O 0.0039 0.0001 0.0060 2480 THR 39 CB 0.0039 0.0031 0.0058 2481 THR 39 OG1 0.0040 0.0026 0.0053 2482 THR 39 CG2 0.0039 0.0050 0.0057 2483 LYS 40 N 0.0044 0.0002 0.0043 2484 LYS 40 CA 0.0044 -0.0008 0.0044 2485 LYS 40 C 0.0044 -0.0015 0.0044 2486 LYS 40 O 0.0045 -0.0023 0.0046 2487 LYS 40 CB 0.0042 -0.0010 0.0034 2488 LYS 40 CG 0.0042 -0.0003 0.0034 2489 LYS 40 CD 0.0040 -0.0005 0.0023 2490 LYS 40 CE 0.0040 -0.0003 0.0023 2491 LYS 40 NZ 0.0037 -0.0006 0.0011 2492 THR 41 N 0.0043 -0.0012 0.0041 2493 THR 41 CA 0.0043 -0.0019 0.0040 2494 THR 41 C 0.0045 -0.0022 0.0050 2495 THR 41 O 0.0046 -0.0031 0.0051 2496 THR 41 CB 0.0043 -0.0015 0.0037 2497 THR 41 OG1 0.0044 -0.0008 0.0043 2498 THR 41 CG2 0.0041 -0.0011 0.0028 2499 TYR 42 N 0.0047 -0.0020 0.0058 2500 TYR 42 CA 0.0049 -0.0022 0.0067 2501 TYR 42 C 0.0050 -0.0029 0.0071 2502 TYR 42 O 0.0051 -0.0033 0.0078 2503 TYR 42 CB 0.0050 -0.0015 0.0075 2504 TYR 42 CG 0.0050 -0.0009 0.0071 2505 TYR 42 CD1 0.0050 -0.0011 0.0075 2506 TYR 42 CD2 0.0048 -0.0000 0.0066 2507 TYR 42 CE1 0.0050 -0.0007 0.0072 2508 TYR 42 CE2 0.0048 0.0005 0.0065 2509 TYR 42 CZ 0.0049 0.0002 0.0068 2510 TYR 42 OH 0.0048 0.0007 0.0066 2511 PHE 43 N -0.0011 -0.0041 0.0086 2512 PHE 43 CA -0.0028 -0.0045 0.0071 2513 PHE 43 C -0.0044 -0.0048 0.0063 2514 PHE 43 O -0.0050 -0.0049 0.0044 2515 PHE 43 CB -0.0016 -0.0041 0.0051 2516 PHE 43 CG 0.0000 -0.0037 0.0055 2517 PHE 43 CD1 0.0022 -0.0032 0.0059 2518 PHE 43 CD2 -0.0007 -0.0039 0.0051 2519 PHE 43 CE1 0.0035 -0.0029 0.0062 2520 PHE 43 CE2 0.0009 -0.0035 0.0058 2521 PHE 43 CZ 0.0031 -0.0030 0.0062 2522 PRO 44 N -0.0055 -0.0051 0.0081 2523 PRO 44 CA -0.0070 -0.0055 0.0072 2524 PRO 44 C -0.0091 -0.0060 0.0069 2525 PRO 44 O -0.0103 -0.0062 0.0057 2526 PRO 44 CB -0.0072 -0.0056 0.0098 2527 PRO 44 CG -0.0068 -0.0055 0.0112 2528 PRO 44 CD -0.0049 -0.0050 0.0105 2529 HIS 45 N -0.0093 -0.0060 0.0071 2530 HIS 45 CA -0.0111 -0.0065 0.0064 2531 HIS 45 C -0.0111 -0.0064 0.0039 2532 HIS 45 O -0.0125 -0.0067 0.0038 2533 HIS 45 CB -0.0114 -0.0065 0.0079 2534 HIS 45 CG -0.0098 -0.0062 0.0089 2535 HIS 45 ND1 -0.0078 -0.0057 0.0093 2536 HIS 45 CD2 -0.0095 -0.0061 0.0085 2537 HIS 45 CE1 -0.0070 -0.0055 0.0094 2538 HIS 45 NE2 -0.0077 -0.0057 0.0092 2539 PHE 46 N -0.0092 0.0067 0.0083 2540 PHE 46 CA -0.0090 0.0065 0.0057 2541 PHE 46 C -0.0095 0.0072 0.0073 2542 PHE 46 O -0.0091 0.0063 0.0104 2543 PHE 46 CB -0.0067 0.0030 0.0042 2544 PHE 46 CG -0.0065 0.0030 0.0014 2545 PHE 46 CD1 -0.0051 0.0009 -0.0013 2546 PHE 46 CD2 -0.0070 0.0039 0.0005 2547 PHE 46 CE1 -0.0045 0.0001 -0.0042 2548 PHE 46 CE2 -0.0065 0.0033 -0.0016 2549 PHE 46 CZ -0.0048 0.0008 -0.0045 2550 ASP 47 N -0.0099 0.0082 0.0051 2551 ASP 47 CA -0.0097 0.0077 0.0063 2552 ASP 47 C -0.0077 0.0045 0.0047 2553 ASP 47 O -0.0072 0.0040 0.0016 2554 ASP 47 CB -0.0112 0.0104 0.0034 2555 ASP 47 CG -0.0113 0.0104 0.0053 2556 ASP 47 OD1 -0.0099 0.0081 0.0055 2557 ASP 47 OD2 -0.0125 0.0126 0.0035 2558 LEU 48 N -0.0068 0.0028 0.0076 2559 LEU 48 CA -0.0046 -0.0006 0.0064 2560 LEU 48 C -0.0044 -0.0010 0.0063 2561 LEU 48 O -0.0027 -0.0037 0.0057 2562 LEU 48 CB -0.0037 -0.0025 0.0095 2563 LEU 48 CG -0.0033 -0.0031 0.0101 2564 LEU 48 CD1 -0.0024 -0.0049 0.0130 2565 LEU 48 CD2 -0.0027 -0.0037 0.0063 2566 SER 49 N -0.0019 -0.0029 0.0149 2567 SER 49 CA -0.0007 -0.0042 0.0195 2568 SER 49 C -0.0021 -0.0106 0.0123 2569 SER 49 O -0.0043 -0.0114 0.0029 2570 SER 49 CB 0.0001 0.0049 0.0247 2571 SER 49 OG -0.0012 0.0118 0.0201 2572 HIS 50 N -0.0008 -0.0179 0.0170 2573 HIS 50 CA -0.0020 -0.0246 0.0107 2574 HIS 50 C -0.0042 -0.0177 0.0024 2575 HIS 50 O -0.0034 -0.0112 0.0068 2576 HIS 50 CB -0.0001 -0.0328 0.0170 2577 HIS 50 CG -0.0015 -0.0391 0.0101 2578 HIS 50 ND1 -0.0018 -0.0381 0.0091 2579 HIS 50 CD2 -0.0029 -0.0455 0.0032 2580 HIS 50 CE1 -0.0032 -0.0438 0.0018 2581 HIS 50 NE2 -0.0043 -0.0503 -0.0037 2582 GLY 51 N -0.0061 -0.0204 -0.0063 2583 GLY 51 CA -0.0078 -0.0155 -0.0131 2584 GLY 51 C -0.0094 -0.0068 -0.0181 2585 GLY 51 O -0.0113 -0.0018 -0.0257 2586 SER 52 N -0.0070 -0.0021 -0.0141 2587 SER 52 CA -0.0093 0.0004 -0.0128 2588 SER 52 C -0.0105 0.0006 -0.0149 2589 SER 52 O -0.0090 -0.0012 -0.0163 2590 SER 52 CB -0.0083 0.0008 -0.0094 2591 SER 52 OG -0.0103 0.0029 -0.0085 2592 ALA 53 N -0.0132 0.0023 -0.0168 2593 ALA 53 CA -0.0146 0.0029 -0.0186 2594 ALA 53 C -0.0139 0.0029 -0.0170 2595 ALA 53 O -0.0141 0.0023 -0.0189 2596 ALA 53 CB -0.0172 0.0044 -0.0206 2597 GLN 54 N -0.0139 0.0041 -0.0137 2598 GLN 54 CA -0.0136 0.0047 -0.0116 2599 GLN 54 C -0.0105 0.0019 -0.0119 2600 GLN 54 O -0.0105 0.0017 -0.0122 2601 GLN 54 CB -0.0137 0.0061 -0.0081 2602 GLN 54 CG -0.0164 0.0086 -0.0076 2603 GLN 54 CD -0.0168 0.0105 -0.0037 2604 GLN 54 OE1 -0.0153 0.0098 -0.0021 2605 GLN 54 NE2 -0.0181 0.0121 -0.0025 2606 VAL 55 N -0.0052 0.0018 -0.0058 2607 VAL 55 CA -0.0031 -0.0005 -0.0057 2608 VAL 55 C -0.0032 -0.0013 -0.0086 2609 VAL 55 O -0.0023 -0.0025 -0.0092 2610 VAL 55 CB -0.0020 -0.0014 -0.0043 2611 VAL 55 CG1 -0.0001 -0.0036 -0.0049 2612 VAL 55 CG2 -0.0020 -0.0005 -0.0016 2613 LYS 56 N -0.0041 -0.0009 -0.0105 2614 LYS 56 CA -0.0041 -0.0017 -0.0131 2615 LYS 56 C -0.0047 -0.0013 -0.0141 2616 LYS 56 O -0.0041 -0.0023 -0.0154 2617 LYS 56 CB -0.0052 -0.0010 -0.0148 2618 LYS 56 CG -0.0042 -0.0019 -0.0142 2619 LYS 56 CD -0.0051 -0.0022 -0.0186 2620 LYS 56 CE -0.0040 -0.0027 -0.0160 2621 LYS 56 NZ -0.0056 -0.0016 -0.0186 2622 GLY 57 N -0.0062 0.0007 -0.0133 2623 GLY 57 CA -0.0071 0.0014 -0.0140 2624 GLY 57 C -0.0060 0.0005 -0.0132 2625 GLY 57 O -0.0059 -0.0001 -0.0146 2626 HIS 58 N 0.0008 0.0031 -0.0120 2627 HIS 58 CA 0.0004 0.0008 -0.0127 2628 HIS 58 C 0.0002 0.0001 -0.0128 2629 HIS 58 O 0.0008 -0.0014 -0.0139 2630 HIS 58 CB -0.0010 -0.0002 -0.0118 2631 HIS 58 CG -0.0013 -0.0024 -0.0125 2632 HIS 58 ND1 0.0001 -0.0030 -0.0140 2633 HIS 58 CD2 -0.0025 -0.0038 -0.0121 2634 HIS 58 CE1 -0.0008 -0.0052 -0.0142 2635 HIS 58 NE2 -0.0024 -0.0059 -0.0130 2636 GLY 59 N -0.0007 0.0010 -0.0116 2637 GLY 59 CA -0.0009 0.0005 -0.0117 2638 GLY 59 C 0.0006 0.0007 -0.0129 2639 GLY 59 O 0.0008 -0.0008 -0.0137 2640 LYS 60 N 0.0019 0.0024 -0.0133 2641 LYS 60 CA 0.0035 0.0026 -0.0147 2642 LYS 60 C 0.0044 0.0011 -0.0161 2643 LYS 60 O 0.0051 0.0002 -0.0171 2644 LYS 60 CB 0.0045 0.0050 -0.0146 2645 LYS 60 CG 0.0060 0.0050 -0.0159 2646 LYS 60 CD 0.0072 0.0071 -0.0160 2647 LYS 60 CE 0.0081 0.0070 -0.0170 2648 LYS 60 NZ 0.0098 0.0063 -0.0187 2649 LYS 61 N 0.0035 -0.0005 -0.0180 2650 LYS 61 CA 0.0037 -0.0012 -0.0201 2651 LYS 61 C 0.0010 -0.0019 -0.0210 2652 LYS 61 O 0.0009 -0.0022 -0.0219 2653 LYS 61 CB 0.0046 -0.0017 -0.0217 2654 LYS 61 CG 0.0068 -0.0013 -0.0214 2655 LYS 61 CD 0.0081 -0.0017 -0.0228 2656 LYS 61 CE 0.0111 -0.0011 -0.0221 2657 LYS 61 NZ 0.0110 -0.0018 -0.0241 2658 VAL 62 N -0.0006 -0.0019 -0.0206 2659 VAL 62 CA -0.0029 -0.0023 -0.0211 2660 VAL 62 C -0.0041 -0.0021 -0.0201 2661 VAL 62 O -0.0048 -0.0025 -0.0210 2662 VAL 62 CB -0.0043 -0.0024 -0.0207 2663 VAL 62 CG1 -0.0067 -0.0027 -0.0208 2664 VAL 62 CG2 -0.0034 -0.0029 -0.0224 2665 ALA 63 N -0.0033 -0.0013 -0.0180 2666 ALA 63 CA -0.0043 -0.0008 -0.0164 2667 ALA 63 C -0.0036 -0.0010 -0.0172 2668 ALA 63 O -0.0044 -0.0011 -0.0173 2669 ALA 63 CB -0.0040 0.0001 -0.0141 2670 ASP 64 N -0.0009 0.0014 -0.0166 2671 ASP 64 CA -0.0005 0.0013 -0.0163 2672 ASP 64 C -0.0005 0.0012 -0.0165 2673 ASP 64 O -0.0005 0.0013 -0.0163 2674 ASP 64 CB 0.0002 0.0009 -0.0161 2675 ASP 64 CG 0.0005 0.0010 -0.0156 2676 ASP 64 OD1 0.0002 0.0014 -0.0154 2677 ASP 64 OD2 0.0008 0.0006 -0.0158 2678 ALA 65 N -0.0007 0.0009 -0.0171 2679 ALA 65 CA -0.0009 0.0007 -0.0174 2680 ALA 65 C -0.0014 0.0012 -0.0174 2681 ALA 65 O -0.0014 0.0014 -0.0172 2682 ALA 65 CB -0.0011 0.0004 -0.0181 2683 LEU 66 N -0.0018 0.0017 -0.0173 2684 LEU 66 CA -0.0023 0.0022 -0.0172 2685 LEU 66 C -0.0021 0.0025 -0.0166 2686 LEU 66 O -0.0022 0.0028 -0.0164 2687 LEU 66 CB -0.0028 0.0025 -0.0173 2688 LEU 66 CG -0.0031 0.0022 -0.0180 2689 LEU 66 CD1 -0.0034 0.0024 -0.0181 2690 LEU 66 CD2 -0.0035 0.0023 -0.0183 2691 THR 67 N -0.0016 0.0031 -0.0146 2692 THR 67 CA -0.0017 0.0031 -0.0143 2693 THR 67 C -0.0019 0.0032 -0.0136 2694 THR 67 O -0.0017 0.0036 -0.0133 2695 THR 67 CB -0.0021 0.0024 -0.0146 2696 THR 67 OG1 -0.0020 0.0023 -0.0153 2697 THR 67 CG2 -0.0023 0.0024 -0.0142 2698 ASN 68 N -0.0022 0.0029 -0.0132 2699 ASN 68 CA -0.0022 0.0031 -0.0125 2700 ASN 68 C -0.0018 0.0038 -0.0123 2701 ASN 68 O -0.0018 0.0041 -0.0116 2702 ASN 68 CB -0.0026 0.0027 -0.0123 2703 ASN 68 CG -0.0028 0.0029 -0.0114 2704 ASN 68 OD1 -0.0028 0.0030 -0.0111 2705 ASN 68 ND2 -0.0028 0.0029 -0.0112 2706 ALA 69 N -0.0016 0.0040 -0.0127 2707 ALA 69 CA -0.0011 0.0047 -0.0125 2708 ALA 69 C -0.0009 0.0050 -0.0125 2709 ALA 69 O -0.0007 0.0055 -0.0121 2710 ALA 69 CB -0.0009 0.0048 -0.0130 2711 VAL 70 N -0.0014 0.0050 -0.0091 2712 VAL 70 CA -0.0008 0.0045 -0.0099 2713 VAL 70 C -0.0017 0.0045 -0.0100 2714 VAL 70 O -0.0010 0.0045 -0.0100 2715 VAL 70 CB -0.0007 0.0040 -0.0108 2716 VAL 70 CG1 -0.0002 0.0035 -0.0115 2717 VAL 70 CG2 0.0001 0.0040 -0.0107 2718 ALA 71 N -0.0025 0.0046 -0.0101 2719 ALA 71 CA -0.0035 0.0046 -0.0102 2720 ALA 71 C -0.0031 0.0050 -0.0096 2721 ALA 71 O -0.0034 0.0051 -0.0095 2722 ALA 71 CB -0.0044 0.0046 -0.0105 2723 HIS 72 N -0.0030 0.0055 -0.0086 2724 HIS 72 CA -0.0027 0.0060 -0.0078 2725 HIS 72 C -0.0019 0.0062 -0.0073 2726 HIS 72 O -0.0016 0.0068 -0.0062 2727 HIS 72 CB -0.0038 0.0066 -0.0069 2728 HIS 72 CG -0.0047 0.0065 -0.0073 2729 HIS 72 ND1 -0.0057 0.0066 -0.0073 2730 HIS 72 CD2 -0.0055 0.0061 -0.0081 2731 HIS 72 CE1 -0.0064 0.0065 -0.0076 2732 HIS 72 NE2 -0.0067 0.0062 -0.0082 2733 VAL 73 N 0.0015 0.0059 -0.0049 2734 VAL 73 CA 0.0037 0.0073 -0.0049 2735 VAL 73 C 0.0035 0.0102 -0.0034 2736 VAL 73 O 0.0055 0.0117 -0.0034 2737 VAL 73 CB 0.0060 0.0059 -0.0065 2738 VAL 73 CG1 0.0041 0.0053 -0.0061 2739 VAL 73 CG2 0.0085 0.0073 -0.0067 2740 ASP 74 N 0.0011 0.0102 -0.0025 2741 ASP 74 CA 0.0008 0.0129 -0.0010 2742 ASP 74 C 0.0001 0.0148 0.0002 2743 ASP 74 O -0.0004 0.0161 0.0011 2744 ASP 74 CB -0.0010 0.0121 -0.0007 2745 ASP 74 CG -0.0007 0.0109 -0.0015 2746 ASP 74 OD1 0.0019 0.0110 -0.0024 2747 ASP 74 OD2 -0.0015 0.0092 -0.0020 2748 ASP 75 N -0.0006 0.0134 -0.0003 2749 ASP 75 CA -0.0016 0.0151 0.0010 2750 ASP 75 C -0.0008 0.0135 -0.0001 2751 ASP 75 O -0.0021 0.0136 0.0004 2752 ASP 75 CB -0.0047 0.0142 0.0017 2753 ASP 75 CG -0.0067 0.0155 0.0031 2754 ASP 75 OD1 -0.0059 0.0178 0.0040 2755 ASP 75 OD2 -0.0080 0.0134 0.0025 2756 MET 76 N 0.0020 0.0099 -0.0033 2757 MET 76 CA 0.0027 0.0084 -0.0049 2758 MET 76 C 0.0022 0.0094 -0.0039 2759 MET 76 O 0.0012 0.0073 -0.0044 2760 MET 76 CB 0.0060 0.0087 -0.0075 2761 MET 76 CG 0.0060 0.0063 -0.0090 2762 MET 76 SD 0.0103 0.0065 -0.0124 2763 MET 76 CE 0.0120 0.0101 -0.0115 2764 PRO 77 N 0.0028 0.0125 -0.0023 2765 PRO 77 CA 0.0017 0.0131 -0.0010 2766 PRO 77 C -0.0008 0.0118 0.0003 2767 PRO 77 O -0.0014 0.0107 0.0000 2768 PRO 77 CB 0.0029 0.0169 0.0007 2769 PRO 77 CG 0.0046 0.0183 0.0001 2770 PRO 77 CD 0.0035 0.0152 -0.0010 2771 ASN 78 N -0.0033 0.0110 0.0018 2772 ASN 78 CA -0.0062 0.0087 0.0026 2773 ASN 78 C -0.0069 0.0061 0.0015 2774 ASN 78 O -0.0081 0.0041 0.0011 2775 ASN 78 CB -0.0086 0.0101 0.0056 2776 ASN 78 CG -0.0123 0.0083 0.0074 2777 ASN 78 OD1 -0.0125 0.0086 0.0078 2778 ASN 78 ND2 -0.0139 0.0055 0.0069 2779 ALA 79 N -0.0029 0.0039 -0.0021 2780 ALA 79 CA -0.0038 0.0015 -0.0040 2781 ALA 79 C -0.0036 0.0001 -0.0063 2782 ALA 79 O -0.0049 -0.0023 -0.0073 2783 ALA 79 CB -0.0026 0.0015 -0.0064 2784 LEU 80 N -0.0018 0.0019 -0.0072 2785 LEU 80 CA -0.0014 0.0010 -0.0094 2786 LEU 80 C -0.0018 0.0015 -0.0078 2787 LEU 80 O -0.0015 0.0009 -0.0093 2788 LEU 80 CB 0.0008 0.0026 -0.0114 2789 LEU 80 CG 0.0018 0.0026 -0.0133 2790 LEU 80 CD1 0.0041 0.0042 -0.0155 2791 LEU 80 CD2 0.0005 -0.0001 -0.0147 2792 SER 81 N -0.0032 0.0017 -0.0047 2793 SER 81 CA -0.0036 0.0023 -0.0031 2794 SER 81 C -0.0047 0.0000 -0.0044 2795 SER 81 O -0.0041 0.0006 -0.0047 2796 SER 81 CB -0.0054 0.0021 0.0000 2797 SER 81 OG -0.0051 0.0036 0.0015 2798 ALA 82 N -0.0093 -0.0022 -0.0048 2799 ALA 82 CA -0.0119 -0.0026 -0.0044 2800 ALA 82 C -0.0099 -0.0029 -0.0059 2801 ALA 82 O -0.0103 -0.0028 -0.0054 2802 ALA 82 CB -0.0162 -0.0044 -0.0064 2803 LEU 83 N -0.0062 -0.0043 -0.0100 2804 LEU 83 CA -0.0045 -0.0047 -0.0115 2805 LEU 83 C -0.0004 -0.0027 -0.0091 2806 LEU 83 O 0.0004 -0.0024 -0.0089 2807 LEU 83 CB -0.0015 -0.0061 -0.0154 2808 LEU 83 CG -0.0046 -0.0086 -0.0190 2809 LEU 83 CD1 -0.0012 -0.0100 -0.0229 2810 LEU 83 CD2 -0.0070 -0.0093 -0.0192 2811 SER 84 N 0.0013 -0.0012 -0.0069 2812 SER 84 CA 0.0042 0.0010 -0.0039 2813 SER 84 C 0.0021 0.0022 -0.0006 2814 SER 84 O 0.0035 0.0033 0.0009 2815 SER 84 CB 0.0071 0.0033 -0.0005 2816 SER 84 OG 0.0074 0.0019 -0.0032 2817 ASP 85 N -0.0015 0.0003 0.0008 2818 ASP 85 CA -0.0032 0.0018 0.0029 2819 ASP 85 C -0.0037 0.0016 0.0026 2820 ASP 85 O -0.0033 0.0026 0.0043 2821 ASP 85 CB -0.0062 0.0021 0.0030 2822 ASP 85 CG -0.0061 0.0028 0.0043 2823 ASP 85 OD1 -0.0044 0.0034 0.0054 2824 ASP 85 OD2 -0.0089 0.0027 0.0036 2825 LEU 86 N -0.0042 -0.0000 -0.0002 2826 LEU 86 CA -0.0048 -0.0003 -0.0008 2827 LEU 86 C -0.0024 -0.0001 -0.0001 2828 LEU 86 O -0.0023 0.0005 0.0011 2829 LEU 86 CB -0.0059 -0.0020 -0.0038 2830 LEU 86 CG -0.0074 -0.0025 -0.0048 2831 LEU 86 CD1 -0.0101 -0.0013 -0.0032 2832 LEU 86 CD2 -0.0079 -0.0042 -0.0077 2833 HIS 87 N 0.0004 -0.0009 -0.0009 2834 HIS 87 CA 0.0030 -0.0011 -0.0008 2835 HIS 87 C 0.0046 0.0008 0.0026 2836 HIS 87 O 0.0054 0.0012 0.0033 2837 HIS 87 CB 0.0060 -0.0023 -0.0024 2838 HIS 87 CG 0.0053 -0.0041 -0.0054 2839 HIS 87 ND1 0.0032 -0.0048 -0.0069 2840 HIS 87 CD2 0.0061 -0.0052 -0.0071 2841 HIS 87 CE1 0.0029 -0.0063 -0.0096 2842 HIS 87 NE2 0.0047 -0.0065 -0.0095 2843 ALA 88 N 0.0044 -0.0008 0.0034 2844 ALA 88 CA 0.0052 0.0003 0.0054 2845 ALA 88 C 0.0038 0.0013 0.0070 2846 ALA 88 O 0.0049 0.0021 0.0085 2847 ALA 88 CB 0.0055 0.0008 0.0064 2848 HIS 89 N 0.0014 0.0014 0.0068 2849 HIS 89 CA -0.0006 0.0023 0.0080 2850 HIS 89 C -0.0016 0.0020 0.0074 2851 HIS 89 O -0.0023 0.0030 0.0089 2852 HIS 89 CB -0.0022 0.0029 0.0088 2853 HIS 89 CG -0.0006 0.0033 0.0098 2854 HIS 89 ND1 0.0010 0.0041 0.0115 2855 HIS 89 CD2 -0.0010 0.0029 0.0090 2856 HIS 89 CE1 0.0016 0.0039 0.0112 2857 HIS 89 NE2 0.0007 0.0035 0.0103 2858 LYS 90 N -0.0016 0.0010 0.0056 2859 LYS 90 CA -0.0030 0.0006 0.0047 2860 LYS 90 C -0.0012 -0.0000 0.0038 2861 LYS 90 O -0.0008 0.0004 0.0046 2862 LYS 90 CB -0.0053 0.0001 0.0035 2863 LYS 90 CG -0.0058 -0.0002 0.0028 2864 LYS 90 CD -0.0084 -0.0009 0.0011 2865 LYS 90 CE -0.0098 -0.0009 0.0011 2866 LYS 90 NZ -0.0130 -0.0003 0.0015 2867 LEU 91 N 0.0033 -0.0006 0.0034 2868 LEU 91 CA 0.0038 -0.0008 0.0031 2869 LEU 91 C 0.0046 -0.0007 0.0037 2870 LEU 91 O 0.0047 -0.0007 0.0038 2871 LEU 91 CB 0.0040 -0.0012 0.0022 2872 LEU 91 CG 0.0033 -0.0012 0.0018 2873 LEU 91 CD1 0.0036 -0.0016 0.0009 2874 LEU 91 CD2 0.0027 -0.0012 0.0016 2875 ARG 92 N 0.0051 -0.0007 0.0040 2876 ARG 92 CA 0.0058 -0.0006 0.0047 2877 ARG 92 C 0.0065 -0.0009 0.0044 2878 ARG 92 O 0.0068 -0.0008 0.0047 2879 ARG 92 CB 0.0054 -0.0002 0.0055 2880 ARG 92 CG 0.0051 -0.0000 0.0059 2881 ARG 92 CD 0.0045 0.0004 0.0066 2882 ARG 92 NE 0.0046 0.0005 0.0070 2883 ARG 92 CZ 0.0031 0.0010 0.0077 2884 ARG 92 NH1 0.0027 0.0007 0.0066 2885 ARG 92 NH2 0.0034 0.0010 0.0078 2886 VAL 93 N 0.0067 -0.0012 0.0036 2887 VAL 93 CA 0.0074 -0.0015 0.0032 2888 VAL 93 C 0.0083 -0.0015 0.0036 2889 VAL 93 O 0.0086 -0.0016 0.0036 2890 VAL 93 CB 0.0074 -0.0018 0.0022 2891 VAL 93 CG1 0.0081 -0.0022 0.0018 2892 VAL 93 CG2 0.0065 -0.0018 0.0019 2893 ASP 94 N 0.0081 -0.0009 0.0040 2894 ASP 94 CA 0.0081 -0.0011 0.0040 2895 ASP 94 C 0.0085 -0.0006 0.0040 2896 ASP 94 O 0.0085 0.0000 0.0038 2897 ASP 94 CB 0.0074 -0.0012 0.0039 2898 ASP 94 CG 0.0073 -0.0015 0.0040 2899 ASP 94 OD1 0.0073 -0.0021 0.0041 2900 ASP 94 OD2 0.0075 -0.0011 0.0039 2901 PRO 95 N 0.0090 -0.0008 0.0041 2902 PRO 95 CA 0.0094 -0.0003 0.0041 2903 PRO 95 C 0.0091 0.0001 0.0039 2904 PRO 95 O 0.0094 0.0007 0.0039 2905 PRO 95 CB 0.0098 -0.0008 0.0042 2906 PRO 95 CG 0.0098 -0.0014 0.0044 2907 PRO 95 CD 0.0091 -0.0015 0.0043 2908 VAL 96 N 0.0084 0.0002 0.0038 2909 VAL 96 CA 0.0081 0.0007 0.0036 2910 VAL 96 C 0.0080 0.0013 0.0035 2911 VAL 96 O 0.0081 0.0019 0.0034 2912 VAL 96 CB 0.0073 0.0004 0.0036 2913 VAL 96 CG1 0.0074 -0.0002 0.0037 2914 VAL 96 CG2 0.0068 0.0004 0.0035 2915 ASN 97 N 0.0064 0.0004 0.0039 2916 ASN 97 CA 0.0068 0.0023 0.0047 2917 ASN 97 C 0.0075 0.0025 0.0040 2918 ASN 97 O 0.0076 0.0040 0.0049 2919 ASN 97 CB 0.0077 0.0036 0.0045 2920 ASN 97 CG 0.0069 0.0037 0.0057 2921 ASN 97 OD1 0.0058 0.0042 0.0075 2922 ASN 97 ND2 0.0071 0.0029 0.0047 2923 PHE 98 N 0.0082 0.0016 0.0023 2924 PHE 98 CA 0.0089 0.0017 0.0014 2925 PHE 98 C 0.0078 0.0012 0.0025 2926 PHE 98 O 0.0082 0.0022 0.0027 2927 PHE 98 CB 0.0099 0.0006 -0.0006 2928 PHE 98 CG 0.0112 0.0015 -0.0017 2929 PHE 98 CD1 0.0126 0.0030 -0.0024 2930 PHE 98 CD2 0.0110 0.0012 -0.0016 2931 PHE 98 CE1 0.0138 0.0040 -0.0033 2932 PHE 98 CE2 0.0124 0.0024 -0.0027 2933 PHE 98 CZ 0.0138 0.0037 -0.0036 2934 LYS 99 N 0.0065 -0.0003 0.0032 2935 LYS 99 CA 0.0054 -0.0008 0.0043 2936 LYS 99 C 0.0051 0.0008 0.0059 2937 LYS 99 O 0.0046 0.0009 0.0066 2938 LYS 99 CB 0.0040 -0.0030 0.0045 2939 LYS 99 CG 0.0033 -0.0033 0.0052 2940 LYS 99 CD 0.0017 -0.0057 0.0056 2941 LYS 99 CE 0.0003 -0.0041 0.0085 2942 LYS 99 NZ -0.0010 -0.0053 0.0095 2943 LEU 100 N 0.0049 0.0015 0.0061 2944 LEU 100 CA 0.0050 0.0014 0.0060 2945 LEU 100 C 0.0049 0.0013 0.0059 2946 LEU 100 O 0.0049 0.0012 0.0058 2947 LEU 100 CB 0.0050 0.0014 0.0060 2948 LEU 100 CG 0.0051 0.0016 0.0060 2949 LEU 100 CD1 0.0051 0.0015 0.0060 2950 LEU 100 CD2 0.0052 0.0016 0.0059 2951 LEU 101 N 0.0047 0.0013 0.0060 2952 LEU 101 CA 0.0046 0.0012 0.0060 2953 LEU 101 C 0.0046 0.0012 0.0059 2954 LEU 101 O 0.0046 0.0010 0.0059 2955 LEU 101 CB 0.0044 0.0012 0.0060 2956 LEU 101 CG 0.0043 0.0011 0.0060 2957 LEU 101 CD1 0.0043 0.0009 0.0059 2958 LEU 101 CD2 0.0042 0.0011 0.0061 2959 SER 102 N 0.0046 0.0013 0.0060 2960 SER 102 CA 0.0046 0.0013 0.0060 2961 SER 102 C 0.0048 0.0012 0.0059 2962 SER 102 O 0.0047 0.0011 0.0058 2963 SER 102 CB 0.0047 0.0014 0.0061 2964 SER 102 OG 0.0045 0.0015 0.0062 2965 HIS 103 N 0.0018 0.0009 0.0052 2966 HIS 103 CA 0.0018 0.0005 0.0055 2967 HIS 103 C 0.0019 0.0005 0.0056 2968 HIS 103 O 0.0019 0.0002 0.0057 2969 HIS 103 CB 0.0021 0.0006 0.0057 2970 HIS 103 CG 0.0022 0.0003 0.0060 2971 HIS 103 ND1 0.0025 0.0004 0.0063 2972 HIS 103 CD2 0.0021 -0.0000 0.0061 2973 HIS 103 CE1 0.0025 0.0001 0.0065 2974 HIS 103 NE2 0.0023 -0.0002 0.0064 2975 CYS 104 N 0.0021 0.0008 0.0056 2976 CYS 104 CA 0.0023 0.0008 0.0058 2977 CYS 104 C 0.0020 0.0007 0.0056 2978 CYS 104 O 0.0021 0.0005 0.0058 2979 CYS 104 CB 0.0025 0.0012 0.0059 2980 CYS 104 SG 0.0028 0.0013 0.0062 2981 LEU 105 N 0.0018 0.0008 0.0053 2982 LEU 105 CA 0.0016 0.0006 0.0051 2983 LEU 105 C 0.0015 0.0002 0.0052 2984 LEU 105 O 0.0014 0.0000 0.0052 2985 LEU 105 CB 0.0014 0.0008 0.0048 2986 LEU 105 CG 0.0012 0.0008 0.0046 2987 LEU 105 CD1 0.0014 0.0012 0.0046 2988 LEU 105 CD2 0.0011 0.0013 0.0042 2989 LEU 106 N -0.0002 0.0016 0.0082 2990 LEU 106 CA 0.0001 0.0017 0.0080 2991 LEU 106 C 0.0003 0.0014 0.0075 2992 LEU 106 O 0.0003 0.0013 0.0074 2993 LEU 106 CB 0.0004 0.0024 0.0081 2994 LEU 106 CG 0.0003 0.0028 0.0086 2995 LEU 106 CD1 0.0007 0.0033 0.0086 2996 LEU 106 CD2 0.0000 0.0027 0.0089 2997 VAL 107 N 0.0005 0.0013 0.0072 2998 VAL 107 CA 0.0008 0.0010 0.0067 2999 VAL 107 C 0.0005 0.0004 0.0066 3000 VAL 107 O 0.0005 0.0001 0.0064 3001 VAL 107 CB 0.0010 0.0009 0.0063 3002 VAL 107 CG1 0.0011 0.0005 0.0059 3003 VAL 107 CG2 0.0014 0.0015 0.0063 3004 THR 108 N 0.0000 0.0002 0.0069 3005 THR 108 CA -0.0003 -0.0004 0.0068 3006 THR 108 C -0.0004 -0.0003 0.0071 3007 THR 108 O -0.0005 -0.0007 0.0068 3008 THR 108 CB -0.0007 -0.0005 0.0072 3009 THR 108 OG1 -0.0005 -0.0005 0.0070 3010 THR 108 CG2 -0.0011 -0.0011 0.0072 3011 LEU 109 N -0.0009 0.0023 0.0094 3012 LEU 109 CA -0.0015 0.0022 0.0097 3013 LEU 109 C -0.0011 0.0018 0.0095 3014 LEU 109 O -0.0013 0.0014 0.0096 3015 LEU 109 CB -0.0019 0.0028 0.0099 3016 LEU 109 CG -0.0024 0.0030 0.0102 3017 LEU 109 CD1 -0.0026 0.0037 0.0103 3018 LEU 109 CD2 -0.0027 0.0024 0.0103 3019 ALA 110 N -0.0006 0.0023 0.0093 3020 ALA 110 CA -0.0002 0.0022 0.0091 3021 ALA 110 C -0.0001 0.0014 0.0090 3022 ALA 110 O -0.0000 0.0010 0.0089 3023 ALA 110 CB 0.0003 0.0027 0.0089 3024 ALA 111 N 0.0002 0.0012 0.0088 3025 ALA 111 CA 0.0005 0.0005 0.0086 3026 ALA 111 C -0.0001 -0.0001 0.0089 3027 ALA 111 O 0.0002 -0.0007 0.0087 3028 ALA 111 CB 0.0008 0.0005 0.0085 3029 HIS 112 N -0.0027 -0.0018 0.0094 3030 HIS 112 CA -0.0036 -0.0029 0.0101 3031 HIS 112 C -0.0039 -0.0022 0.0107 3032 HIS 112 O -0.0046 -0.0031 0.0112 3033 HIS 112 CB -0.0044 -0.0034 0.0109 3034 HIS 112 CG -0.0041 -0.0043 0.0101 3035 HIS 112 ND1 -0.0037 -0.0040 0.0096 3036 HIS 112 CD2 -0.0043 -0.0058 0.0096 3037 HIS 112 CE1 -0.0036 -0.0052 0.0090 3038 HIS 112 NE2 -0.0040 -0.0063 0.0090 3039 LEU 113 N -0.0038 -0.0010 0.0112 3040 LEU 113 CA -0.0041 -0.0002 0.0119 3041 LEU 113 C -0.0032 0.0007 0.0111 3042 LEU 113 O -0.0034 0.0018 0.0118 3043 LEU 113 CB -0.0046 0.0007 0.0128 3044 LEU 113 CG -0.0054 -0.0001 0.0136 3045 LEU 113 CD1 -0.0056 0.0016 0.0146 3046 LEU 113 CD2 -0.0061 -0.0012 0.0139 3047 PRO 114 N -0.0028 0.0002 0.0103 3048 PRO 114 CA -0.0017 0.0007 0.0092 3049 PRO 114 C -0.0023 0.0018 0.0104 3050 PRO 114 O -0.0021 0.0032 0.0108 3051 PRO 114 CB -0.0015 -0.0005 0.0084 3052 PRO 114 CG -0.0026 -0.0015 0.0093 3053 PRO 114 CD -0.0031 -0.0016 0.0100 3054 ALA 115 N -0.0019 -0.0011 0.0113 3055 ALA 115 CA -0.0026 -0.0006 0.0118 3056 ALA 115 C -0.0030 0.0002 0.0120 3057 ALA 115 O -0.0035 0.0011 0.0122 3058 ALA 115 CB -0.0034 -0.0015 0.0125 3059 GLU 116 N -0.0032 0.0004 0.0121 3060 GLU 116 CA -0.0039 0.0013 0.0125 3061 GLU 116 C -0.0034 0.0023 0.0119 3062 GLU 116 O -0.0039 0.0033 0.0122 3063 GLU 116 CB -0.0040 0.0008 0.0126 3064 GLU 116 CG -0.0037 -0.0011 0.0127 3065 GLU 116 CD -0.0046 -0.0010 0.0135 3066 GLU 116 OE1 -0.0052 -0.0004 0.0138 3067 GLU 116 OE2 -0.0044 -0.0022 0.0134 3068 PHE 117 N -0.0026 0.0022 0.0113 3069 PHE 117 CA -0.0020 0.0032 0.0107 3070 PHE 117 C -0.0019 0.0041 0.0104 3071 PHE 117 O -0.0011 0.0041 0.0098 3072 PHE 117 CB -0.0012 0.0028 0.0101 3073 PHE 117 CG -0.0007 0.0035 0.0096 3074 PHE 117 CD1 -0.0011 0.0039 0.0099 3075 PHE 117 CD2 0.0001 0.0040 0.0089 3076 PHE 117 CE1 -0.0006 0.0048 0.0093 3077 PHE 117 CE2 0.0005 0.0049 0.0084 3078 PHE 117 CZ 0.0001 0.0052 0.0087 3079 THR 118 N -0.0009 -0.0001 0.0074 3080 THR 118 CA -0.0018 0.0006 0.0072 3081 THR 118 C -0.0021 0.0004 0.0062 3082 THR 118 O -0.0016 -0.0002 0.0058 3083 THR 118 CB -0.0018 0.0010 0.0080 3084 THR 118 OG1 -0.0016 0.0012 0.0089 3085 THR 118 CG2 -0.0016 0.0007 0.0080 3086 PRO 119 N -0.0028 0.0009 0.0060 3087 PRO 119 CA -0.0031 0.0008 0.0051 3088 PRO 119 C -0.0027 0.0005 0.0051 3089 PRO 119 O -0.0026 0.0000 0.0043 3090 PRO 119 CB -0.0040 0.0015 0.0048 3091 PRO 119 CG -0.0042 0.0019 0.0054 3092 PRO 119 CD -0.0034 0.0017 0.0063 3093 ALA 120 N -0.0027 0.0008 0.0058 3094 ALA 120 CA -0.0025 0.0006 0.0058 3095 ALA 120 C -0.0016 -0.0002 0.0059 3096 ALA 120 O -0.0013 -0.0006 0.0054 3097 ALA 120 CB -0.0025 0.0011 0.0067 3098 VAL 121 N -0.0034 0.0009 0.0074 3099 VAL 121 CA -0.0025 0.0008 0.0074 3100 VAL 121 C -0.0023 0.0006 0.0067 3101 VAL 121 O -0.0019 0.0004 0.0063 3102 VAL 121 CB -0.0021 0.0010 0.0081 3103 VAL 121 CG1 -0.0012 0.0009 0.0080 3104 VAL 121 CG2 -0.0022 0.0011 0.0085 3105 HIS 122 N -0.0027 0.0007 0.0068 3106 HIS 122 CA -0.0026 0.0005 0.0063 3107 HIS 122 C -0.0028 0.0003 0.0055 3108 HIS 122 O -0.0023 0.0001 0.0049 3109 HIS 122 CB -0.0031 0.0006 0.0066 3110 HIS 122 CG -0.0032 0.0005 0.0062 3111 HIS 122 ND1 -0.0036 0.0006 0.0064 3112 HIS 122 CD2 -0.0028 0.0003 0.0055 3113 HIS 122 CE1 -0.0036 0.0005 0.0059 3114 HIS 122 NE2 -0.0030 0.0003 0.0054 3115 ALA 123 N -0.0034 0.0003 0.0053 3116 ALA 123 CA -0.0036 0.0001 0.0045 3117 ALA 123 C -0.0030 -0.0001 0.0042 3118 ALA 123 O -0.0027 -0.0003 0.0036 3119 ALA 123 CB -0.0045 0.0001 0.0046 3120 SER 124 N -0.0026 0.0003 0.0059 3121 SER 124 CA -0.0015 0.0001 0.0053 3122 SER 124 C -0.0008 0.0003 0.0053 3123 SER 124 O -0.0003 -0.0001 0.0046 3124 SER 124 CB -0.0009 0.0007 0.0057 3125 SER 124 OG -0.0014 0.0006 0.0058 3126 LEU 125 N -0.0009 0.0009 0.0059 3127 LEU 125 CA -0.0003 0.0011 0.0059 3128 LEU 125 C -0.0007 0.0005 0.0054 3129 LEU 125 O -0.0001 0.0002 0.0049 3130 LEU 125 CB -0.0004 0.0019 0.0067 3131 LEU 125 CG 0.0004 0.0026 0.0072 3132 LEU 125 CD1 -0.0000 0.0033 0.0081 3133 LEU 125 CD2 0.0016 0.0026 0.0068 3134 ASP 126 N -0.0017 0.0001 0.0054 3135 ASP 126 CA -0.0022 -0.0005 0.0050 3136 ASP 126 C -0.0018 -0.0012 0.0041 3137 ASP 126 O -0.0015 -0.0016 0.0036 3138 ASP 126 CB -0.0034 -0.0006 0.0053 3139 ASP 126 CG -0.0040 -0.0011 0.0050 3140 ASP 126 OD1 -0.0034 -0.0009 0.0050 3141 ASP 126 OD2 -0.0045 -0.0018 0.0045 3142 LYS 127 N 0.0013 -0.0035 0.0023 3143 LYS 127 CA 0.0010 -0.0034 0.0007 3144 LYS 127 C 0.0019 -0.0023 -0.0001 3145 LYS 127 O 0.0022 -0.0017 -0.0014 3146 LYS 127 CB -0.0002 -0.0045 -0.0000 3147 LYS 127 CG -0.0010 -0.0054 0.0005 3148 LYS 127 CD -0.0023 -0.0065 -0.0002 3149 LYS 127 CE -0.0026 -0.0063 -0.0020 3150 LYS 127 NZ -0.0038 -0.0074 -0.0026 3151 PHE 128 N 0.0022 -0.0022 0.0004 3152 PHE 128 CA 0.0029 -0.0012 -0.0005 3153 PHE 128 C 0.0042 0.0000 -0.0001 3154 PHE 128 O 0.0046 0.0008 -0.0015 3155 PHE 128 CB 0.0031 -0.0011 0.0001 3156 PHE 128 CG 0.0043 0.0002 -0.0004 3157 PHE 128 CD1 0.0040 0.0004 -0.0020 3158 PHE 128 CD2 0.0050 0.0005 0.0009 3159 PHE 128 CE1 0.0050 0.0014 -0.0020 3160 PHE 128 CE2 0.0060 0.0018 0.0003 3161 PHE 128 CZ 0.0059 0.0020 -0.0010 3162 LEU 129 N 0.0046 0.0001 0.0013 3163 LEU 129 CA 0.0058 0.0012 0.0015 3164 LEU 129 C 0.0056 0.0013 0.0007 3165 LEU 129 O 0.0064 0.0023 -0.0001 3166 LEU 129 CB 0.0062 0.0012 0.0031 3167 LEU 129 CG 0.0065 0.0013 0.0039 3168 LEU 129 CD1 0.0068 0.0011 0.0056 3169 LEU 129 CD2 0.0075 0.0023 0.0036 3170 ALA 130 N 0.0074 -0.0005 -0.0008 3171 ALA 130 CA 0.0070 -0.0015 -0.0015 3172 ALA 130 C 0.0077 -0.0013 -0.0034 3173 ALA 130 O 0.0081 -0.0012 -0.0042 3174 ALA 130 CB 0.0060 -0.0031 -0.0013 3175 SER 131 N 0.0079 -0.0016 -0.0044 3176 SER 131 CA 0.0086 -0.0016 -0.0066 3177 SER 131 C 0.0099 0.0005 -0.0069 3178 SER 131 O 0.0102 0.0003 -0.0080 3179 SER 131 CB 0.0088 -0.0019 -0.0076 3180 SER 131 OG 0.0077 -0.0037 -0.0073 3181 VAL 132 N 0.0102 0.0016 -0.0057 3182 VAL 132 CA 0.0112 0.0033 -0.0058 3183 VAL 132 C 0.0112 0.0035 -0.0055 3184 VAL 132 O 0.0120 0.0043 -0.0065 3185 VAL 132 CB 0.0115 0.0045 -0.0047 3186 VAL 132 CG1 0.0125 0.0063 -0.0045 3187 VAL 132 CG2 0.0119 0.0047 -0.0054 3188 SER 133 N 0.0141 0.0035 -0.0057 3189 SER 133 CA 0.0144 0.0041 -0.0050 3190 SER 133 C 0.0143 0.0046 -0.0049 3191 SER 133 O 0.0142 0.0054 -0.0045 3192 SER 133 CB 0.0152 0.0037 -0.0046 3193 SER 133 OG 0.0152 0.0034 -0.0047 3194 THR 134 N 0.0143 0.0043 -0.0050 3195 THR 134 CA 0.0142 0.0048 -0.0048 3196 THR 134 C 0.0135 0.0054 -0.0051 3197 THR 134 O 0.0134 0.0061 -0.0048 3198 THR 134 CB 0.0143 0.0042 -0.0051 3199 THR 134 OG1 0.0150 0.0039 -0.0047 3200 THR 134 CG2 0.0141 0.0046 -0.0050 3201 VAL 135 N 0.0130 0.0051 -0.0057 3202 VAL 135 CA 0.0123 0.0056 -0.0060 3203 VAL 135 C 0.0123 0.0063 -0.0055 3204 VAL 135 O 0.0119 0.0070 -0.0055 3205 VAL 135 CB 0.0117 0.0052 -0.0067 3206 VAL 135 CG1 0.0110 0.0057 -0.0070 3207 VAL 135 CG2 0.0118 0.0047 -0.0070 3208 LEU 136 N 0.0118 0.0019 -0.0052 3209 LEU 136 CA 0.0095 0.0015 -0.0050 3210 LEU 136 C 0.0098 0.0020 -0.0028 3211 LEU 136 O 0.0077 0.0017 -0.0021 3212 LEU 136 CB 0.0094 0.0010 -0.0073 3213 LEU 136 CG 0.0086 0.0006 -0.0093 3214 LEU 136 CD1 0.0078 0.0000 -0.0113 3215 LEU 136 CD2 0.0064 0.0003 -0.0087 3216 THR 137 N 0.0120 0.0025 -0.0020 3217 THR 137 CA 0.0122 0.0028 -0.0003 3218 THR 137 C 0.0129 0.0035 0.0025 3219 THR 137 O 0.0131 0.0038 0.0040 3220 THR 137 CB 0.0145 0.0031 -0.0011 3221 THR 137 OG1 0.0164 0.0034 -0.0012 3222 THR 137 CG2 0.0133 0.0025 -0.0030 3223 SER 138 N 0.0131 0.0035 0.0025 3224 SER 138 CA 0.0138 0.0040 0.0047 3225 SER 138 C 0.0120 0.0042 0.0071 3226 SER 138 O 0.0131 0.0047 0.0088 3227 SER 138 CB 0.0123 0.0036 0.0037 3228 SER 138 OG 0.0146 0.0040 0.0040 3229 LYS 139 N 0.0081 0.0009 0.0074 3230 LYS 139 CA 0.0085 0.0002 0.0073 3231 LYS 139 C 0.0083 -0.0002 0.0065 3232 LYS 139 O 0.0085 -0.0008 0.0063 3233 LYS 139 CB 0.0089 -0.0001 0.0079 3234 LYS 139 CG 0.0091 0.0003 0.0086 3235 LYS 139 CD 0.0095 -0.0000 0.0091 3236 LYS 139 CE 0.0098 0.0003 0.0100 3237 LYS 139 NZ 0.0101 -0.0001 0.0103 3238 TYR 140 N 0.0079 0.0002 0.0061 3239 TYR 140 CA 0.0077 -0.0002 0.0053 3240 TYR 140 C 0.0076 -0.0005 0.0048 3241 TYR 140 O 0.0077 -0.0011 0.0043 3242 TYR 140 CB 0.0072 0.0003 0.0050 3243 TYR 140 CG 0.0073 0.0003 0.0051 3244 TYR 140 CD1 0.0071 0.0003 0.0046 3245 TYR 140 CD2 0.0076 0.0004 0.0058 3246 TYR 140 CE1 0.0071 0.0003 0.0048 3247 TYR 140 CE2 0.0077 0.0004 0.0060 3248 TYR 140 CZ 0.0074 0.0004 0.0055 3249 TYR 140 OH 0.0075 0.0004 0.0055 3250 ARG 141 N 0.0075 -0.0002 0.0049 3251 ARG 141 CA 0.0074 -0.0004 0.0044 3252 ARG 141 C 0.0075 -0.0003 0.0048 3253 ARG 141 O 0.0075 0.0002 0.0053 3254 ARG 141 CB 0.0069 -0.0003 0.0036 3255 ARG 141 CG 0.0065 0.0005 0.0037 3256 ARG 141 CD 0.0060 0.0005 0.0028 3257 ARG 141 NE 0.0056 0.0013 0.0028 3258 ARG 141 CZ 0.0051 0.0015 0.0022 3259 ARG 141 NH1 0.0050 0.0011 0.0016 3260 ARG 141 NH2 0.0048 0.0023 0.0024 3261 ARG 141 OXT 0.0074 -0.0006 0.0044 3262 VAL 1 N 0.0015 -0.0060 0.0116 3263 VAL 1 CA 0.0017 0.0028 0.0044 3264 VAL 1 C 0.0088 0.0085 0.0118 3265 VAL 1 O 0.0088 0.0018 0.0176 3266 VAL 1 CB -0.0029 0.0007 -0.0018 3267 VAL 1 CG1 -0.0092 -0.0023 -0.0100 3268 VAL 1 CG2 -0.0044 -0.0054 0.0009 3269 HIS 2 N 0.0075 0.0132 0.0055 3270 HIS 2 CA 0.0113 0.0185 0.0076 3271 HIS 2 C 0.0106 0.0176 0.0071 3272 HIS 2 O 0.0094 0.0245 -0.0010 3273 HIS 2 CB 0.0188 0.0288 0.0116 3274 HIS 2 CG 0.0223 0.0307 0.0160 3275 HIS 2 ND1 0.0212 0.0408 0.0055 3276 HIS 2 CD2 0.0278 0.0318 0.0248 3277 HIS 2 CE1 0.0254 0.0440 0.0101 3278 HIS 2 NE2 0.0277 0.0368 0.0202 3279 LEU 3 N 0.0129 0.0137 0.0144 3280 LEU 3 CA 0.0101 0.0118 0.0113 3281 LEU 3 C 0.0162 0.0205 0.0144 3282 LEU 3 O 0.0197 0.0156 0.0248 3283 LEU 3 CB 0.0072 0.0037 0.0133 3284 LEU 3 CG 0.0011 -0.0002 0.0060 3285 LEU 3 CD1 -0.0025 -0.0083 0.0068 3286 LEU 3 CD2 -0.0021 0.0023 -0.0017 3287 THR 4 N 0.0085 0.0177 0.0110 3288 THR 4 CA 0.0084 0.0118 0.0088 3289 THR 4 C 0.0117 0.0043 0.0046 3290 THR 4 O 0.0101 0.0058 0.0058 3291 THR 4 CB -0.0003 0.0084 0.0111 3292 THR 4 OG1 -0.0045 0.0046 0.0114 3293 THR 4 CG2 -0.0024 0.0135 0.0140 3294 PRO 5 N 0.0146 0.0005 0.0019 3295 PRO 5 CA 0.0169 -0.0050 -0.0011 3296 PRO 5 C 0.0106 -0.0108 -0.0007 3297 PRO 5 O 0.0098 -0.0139 -0.0016 3298 PRO 5 CB 0.0183 -0.0132 -0.0048 3299 PRO 5 CG 0.0198 -0.0098 -0.0041 3300 PRO 5 CD 0.0188 -0.0007 -0.0003 3301 GLU 6 N 0.0035 -0.0110 0.0022 3302 GLU 6 CA -0.0021 -0.0164 0.0025 3303 GLU 6 C -0.0071 -0.0090 0.0073 3304 GLU 6 O -0.0085 -0.0131 0.0063 3305 GLU 6 CB -0.0110 -0.0175 0.0057 3306 GLU 6 CG -0.0111 -0.0153 0.0066 3307 GLU 6 CD -0.0053 -0.0173 0.0034 3308 GLU 6 OE1 -0.0006 -0.0142 0.0027 3309 GLU 6 OE2 -0.0004 -0.0026 0.0070 3310 GLU 7 N -0.0048 0.0019 0.0058 3311 GLU 7 CA -0.0047 0.0025 0.0063 3312 GLU 7 C -0.0023 0.0016 0.0057 3313 GLU 7 O -0.0027 0.0011 0.0052 3314 GLU 7 CB -0.0042 0.0043 0.0078 3315 GLU 7 CG -0.0069 0.0051 0.0084 3316 GLU 7 CD -0.0063 0.0066 0.0097 3317 GLU 7 OE1 -0.0081 0.0073 0.0101 3318 GLU 7 OE2 -0.0047 0.0076 0.0105 3319 LYS 8 N -0.0010 0.0017 0.0059 3320 LYS 8 CA 0.0012 0.0010 0.0054 3321 LYS 8 C 0.0013 -0.0005 0.0041 3322 LYS 8 O 0.0015 -0.0014 0.0034 3323 LYS 8 CB 0.0027 0.0015 0.0058 3324 LYS 8 CG 0.0047 0.0010 0.0055 3325 LYS 8 CD 0.0062 0.0014 0.0059 3326 LYS 8 CE 0.0086 0.0001 0.0050 3327 LYS 8 NZ 0.0110 0.0010 0.0058 3328 SER 9 N 0.0001 -0.0015 0.0033 3329 SER 9 CA -0.0002 -0.0030 0.0020 3330 SER 9 C -0.0017 -0.0033 0.0017 3331 SER 9 O -0.0013 -0.0046 0.0006 3332 SER 9 CB -0.0006 -0.0040 0.0012 3333 SER 9 OG -0.0019 -0.0048 0.0005 3334 ALA 10 N -0.0063 -0.0007 0.0024 3335 ALA 10 CA -0.0050 -0.0001 0.0037 3336 ALA 10 C -0.0042 0.0013 0.0041 3337 ALA 10 O -0.0033 0.0026 0.0046 3338 ALA 10 CB -0.0045 -0.0015 0.0048 3339 VAL 11 N -0.0046 0.0010 0.0037 3340 VAL 11 CA -0.0039 0.0021 0.0041 3341 VAL 11 C -0.0040 0.0040 0.0033 3342 VAL 11 O -0.0031 0.0051 0.0040 3343 VAL 11 CB -0.0046 0.0012 0.0037 3344 VAL 11 CG1 -0.0041 0.0023 0.0038 3345 VAL 11 CG2 -0.0040 -0.0005 0.0051 3346 THR 12 N -0.0052 0.0038 0.0019 3347 THR 12 CA -0.0055 0.0058 0.0008 3348 THR 12 C -0.0050 0.0067 0.0011 3349 THR 12 O -0.0043 0.0085 0.0013 3350 THR 12 CB -0.0072 0.0051 -0.0010 3351 THR 12 OG1 -0.0074 0.0047 -0.0010 3352 THR 12 CG2 -0.0072 0.0068 -0.0016 3353 ALA 13 N -0.0061 0.0091 -0.0031 3354 ALA 13 CA -0.0054 0.0106 -0.0037 3355 ALA 13 C -0.0033 0.0110 -0.0037 3356 ALA 13 O -0.0025 0.0121 -0.0041 3357 ALA 13 CB -0.0057 0.0111 -0.0039 3358 LEU 14 N -0.0024 0.0095 -0.0029 3359 LEU 14 CA -0.0006 0.0096 -0.0028 3360 LEU 14 C 0.0000 0.0096 -0.0028 3361 LEU 14 O 0.0014 0.0106 -0.0031 3362 LEU 14 CB 0.0002 0.0080 -0.0020 3363 LEU 14 CG 0.0023 0.0081 -0.0018 3364 LEU 14 CD1 0.0024 0.0090 -0.0022 3365 LEU 14 CD2 0.0029 0.0067 -0.0011 3366 TRP 15 N -0.0011 0.0088 -0.0025 3367 TRP 15 CA -0.0002 0.0086 -0.0023 3368 TRP 15 C -0.0006 0.0102 -0.0031 3369 TRP 15 O 0.0005 0.0107 -0.0032 3370 TRP 15 CB -0.0015 0.0073 -0.0018 3371 TRP 15 CG -0.0006 0.0068 -0.0015 3372 TRP 15 CD1 -0.0011 0.0071 -0.0017 3373 TRP 15 CD2 0.0011 0.0058 -0.0008 3374 TRP 15 NE1 0.0000 0.0065 -0.0013 3375 TRP 15 CE2 0.0014 0.0055 -0.0007 3376 TRP 15 CE3 0.0020 0.0049 -0.0003 3377 TRP 15 CZ2 0.0029 0.0047 -0.0002 3378 TRP 15 CZ3 0.0033 0.0038 0.0003 3379 TRP 15 CH2 0.0036 0.0039 0.0003 3380 GLY 16 N -0.0010 0.0164 -0.0075 3381 GLY 16 CA -0.0003 0.0182 -0.0095 3382 GLY 16 C 0.0018 0.0191 -0.0104 3383 GLY 16 O 0.0029 0.0205 -0.0119 3384 LYS 17 N 0.0029 0.0190 -0.0102 3385 LYS 17 CA 0.0046 0.0199 -0.0110 3386 LYS 17 C 0.0074 0.0195 -0.0104 3387 LYS 17 O 0.0098 0.0194 -0.0102 3388 LYS 17 CB 0.0039 0.0199 -0.0111 3389 LYS 17 CG 0.0016 0.0206 -0.0120 3390 LYS 17 CD 0.0017 0.0207 -0.0121 3391 LYS 17 CE -0.0002 0.0204 -0.0119 3392 LYS 17 NZ 0.0019 0.0221 -0.0136 3393 VAL 18 N 0.0076 0.0176 -0.0083 3394 VAL 18 CA 0.0103 0.0162 -0.0067 3395 VAL 18 C 0.0121 0.0173 -0.0078 3396 VAL 18 O 0.0105 0.0174 -0.0080 3397 VAL 18 CB 0.0098 0.0146 -0.0049 3398 VAL 18 CG1 0.0114 0.0133 -0.0035 3399 VAL 18 CG2 0.0080 0.0134 -0.0037 3400 ASN 19 N 0.0111 0.0223 -0.0068 3401 ASN 19 CA 0.0111 0.0217 -0.0068 3402 ASN 19 C 0.0104 0.0184 -0.0067 3403 ASN 19 O 0.0139 0.0162 -0.0070 3404 ASN 19 CB 0.0140 0.0243 -0.0071 3405 ASN 19 CG 0.0121 0.0258 -0.0069 3406 ASN 19 OD1 0.0130 0.0222 -0.0070 3407 ASN 19 ND2 0.0161 0.0274 -0.0074 3408 VAL 20 N 0.0078 0.0167 -0.0064 3409 VAL 20 CA 0.0077 0.0121 -0.0063 3410 VAL 20 C 0.0102 0.0107 -0.0066 3411 VAL 20 O 0.0122 0.0077 -0.0068 3412 VAL 20 CB 0.0021 0.0101 -0.0057 3413 VAL 20 CG1 0.0016 0.0116 -0.0056 3414 VAL 20 CG2 0.0035 0.0085 -0.0058 3415 ASP 21 N 0.0103 0.0130 -0.0066 3416 ASP 21 CA 0.0141 0.0126 -0.0070 3417 ASP 21 C 0.0169 0.0125 -0.0073 3418 ASP 21 O 0.0191 0.0089 -0.0075 3419 ASP 21 CB 0.0134 0.0155 -0.0070 3420 ASP 21 CG 0.0086 0.0160 -0.0065 3421 ASP 21 OD1 0.0054 0.0127 -0.0061 3422 ASP 21 OD2 0.0088 0.0170 -0.0065 3423 GLU 22 N 0.0125 0.0141 -0.0062 3424 GLU 22 CA 0.0161 0.0144 -0.0069 3425 GLU 22 C 0.0163 0.0103 -0.0063 3426 GLU 22 O 0.0194 0.0092 -0.0066 3427 GLU 22 CB 0.0165 0.0185 -0.0075 3428 GLU 22 CG 0.0172 0.0183 -0.0076 3429 GLU 22 CD 0.0212 0.0229 -0.0089 3430 GLU 22 OE1 0.0191 0.0254 -0.0089 3431 GLU 22 OE2 0.0225 0.0239 -0.0093 3432 VAL 23 N 0.0139 0.0110 -0.0060 3433 VAL 23 CA 0.0139 0.0081 -0.0056 3434 VAL 23 C 0.0137 0.0040 -0.0049 3435 VAL 23 O 0.0157 0.0014 -0.0049 3436 VAL 23 CB 0.0104 0.0089 -0.0051 3437 VAL 23 CG1 0.0101 0.0057 -0.0046 3438 VAL 23 CG2 0.0119 0.0127 -0.0059 3439 GLY 24 N 0.0115 0.0032 -0.0045 3440 GLY 24 CA 0.0110 -0.0003 -0.0039 3441 GLY 24 C 0.0146 -0.0016 -0.0043 3442 GLY 24 O 0.0164 -0.0049 -0.0041 3443 GLY 25 N 0.0080 0.0034 -0.0051 3444 GLY 25 CA 0.0099 0.0038 -0.0041 3445 GLY 25 C 0.0099 0.0029 -0.0031 3446 GLY 25 O 0.0109 0.0023 -0.0017 3447 GLU 26 N 0.0088 0.0027 -0.0037 3448 GLU 26 CA 0.0089 0.0019 -0.0027 3449 GLU 26 C 0.0082 0.0002 -0.0012 3450 GLU 26 O 0.0090 -0.0004 0.0001 3451 GLU 26 CB 0.0078 0.0020 -0.0036 3452 GLU 26 CG 0.0098 0.0032 -0.0035 3453 GLU 26 CD 0.0081 0.0012 -0.0025 3454 GLU 26 OE1 0.0095 0.0015 -0.0018 3455 GLU 26 OE2 0.0072 0.0020 -0.0040 3456 ALA 27 N 0.0068 -0.0002 -0.0017 3457 ALA 27 CA 0.0059 -0.0018 -0.0006 3458 ALA 27 C 0.0071 -0.0021 0.0007 3459 ALA 27 O 0.0075 -0.0031 0.0022 3460 ALA 27 CB 0.0042 -0.0022 -0.0013 3461 LEU 28 N -0.0001 -0.0014 -0.0027 3462 LEU 28 CA -0.0003 -0.0012 -0.0029 3463 LEU 28 C -0.0003 -0.0011 -0.0025 3464 LEU 28 O -0.0003 -0.0011 -0.0026 3465 LEU 28 CB -0.0007 -0.0008 -0.0031 3466 LEU 28 CG -0.0009 -0.0005 -0.0034 3467 LEU 28 CD1 -0.0008 -0.0008 -0.0038 3468 LEU 28 CD2 -0.0012 -0.0002 -0.0035 3469 GLY 29 N -0.0003 -0.0009 -0.0020 3470 GLY 29 CA -0.0003 -0.0009 -0.0015 3471 GLY 29 C 0.0000 -0.0012 -0.0015 3472 GLY 29 O -0.0000 -0.0011 -0.0014 3473 ARG 30 N 0.0003 -0.0016 -0.0015 3474 ARG 30 CA 0.0006 -0.0019 -0.0014 3475 ARG 30 C 0.0006 -0.0021 -0.0019 3476 ARG 30 O 0.0007 -0.0022 -0.0017 3477 ARG 30 CB 0.0009 -0.0023 -0.0013 3478 ARG 30 CG 0.0010 -0.0023 -0.0007 3479 ARG 30 CD 0.0013 -0.0026 -0.0007 3480 ARG 30 NE 0.0014 -0.0026 -0.0002 3481 ARG 30 CZ 0.0016 -0.0027 0.0002 3482 ARG 30 NH1 0.0017 -0.0027 0.0006 3483 ARG 30 NH2 0.0019 -0.0031 0.0002 3484 LEU 31 N -0.0031 -0.0065 0.0000 3485 LEU 31 CA -0.0031 -0.0061 -0.0005 3486 LEU 31 C -0.0037 -0.0057 -0.0006 3487 LEU 31 O -0.0037 -0.0055 -0.0008 3488 LEU 31 CB -0.0029 -0.0060 -0.0009 3489 LEU 31 CG -0.0028 -0.0056 -0.0015 3490 LEU 31 CD1 -0.0023 -0.0057 -0.0018 3491 LEU 31 CD2 -0.0028 -0.0054 -0.0018 3492 LEU 32 N -0.0041 -0.0056 -0.0003 3493 LEU 32 CA -0.0046 -0.0053 -0.0004 3494 LEU 32 C -0.0049 -0.0053 -0.0001 3495 LEU 32 O -0.0053 -0.0050 -0.0002 3496 LEU 32 CB -0.0050 -0.0052 -0.0002 3497 LEU 32 CG -0.0049 -0.0050 -0.0006 3498 LEU 32 CD1 -0.0052 -0.0050 -0.0003 3499 LEU 32 CD2 -0.0048 -0.0047 -0.0011 3500 VAL 33 N -0.0047 -0.0058 0.0004 3501 VAL 33 CA -0.0049 -0.0059 0.0007 3502 VAL 33 C -0.0047 -0.0058 0.0004 3503 VAL 33 O -0.0049 -0.0057 0.0004 3504 VAL 33 CB -0.0049 -0.0063 0.0013 3505 VAL 33 CG1 -0.0050 -0.0064 0.0015 3506 VAL 33 CG2 -0.0053 -0.0062 0.0015 3507 VAL 34 N -0.0077 -0.0053 0.0022 3508 VAL 34 CA -0.0071 -0.0047 0.0017 3509 VAL 34 C -0.0072 -0.0050 0.0010 3510 VAL 34 O -0.0067 -0.0047 0.0003 3511 VAL 34 CB -0.0065 -0.0038 0.0024 3512 VAL 34 CG1 -0.0059 -0.0033 0.0019 3513 VAL 34 CG2 -0.0063 -0.0035 0.0028 3514 TYR 35 N -0.0077 -0.0055 0.0015 3515 TYR 35 CA -0.0079 -0.0058 0.0009 3516 TYR 35 C -0.0087 -0.0068 0.0009 3517 TYR 35 O -0.0091 -0.0071 0.0015 3518 TYR 35 CB -0.0078 -0.0055 0.0017 3519 TYR 35 CG -0.0071 -0.0047 0.0019 3520 TYR 35 CD1 -0.0065 -0.0043 0.0011 3521 TYR 35 CD2 -0.0070 -0.0043 0.0028 3522 TYR 35 CE1 -0.0058 -0.0034 0.0012 3523 TYR 35 CE2 -0.0063 -0.0034 0.0029 3524 TYR 35 CZ -0.0057 -0.0030 0.0022 3525 TYR 35 OH -0.0050 -0.0022 0.0024 3526 PRO 36 N -0.0088 -0.0071 0.0001 3527 PRO 36 CA -0.0096 -0.0080 0.0002 3528 PRO 36 C -0.0100 -0.0086 -0.0000 3529 PRO 36 O -0.0107 -0.0093 0.0003 3530 PRO 36 CB -0.0094 -0.0081 -0.0006 3531 PRO 36 CG -0.0087 -0.0075 -0.0013 3532 PRO 36 CD -0.0083 -0.0069 -0.0006 3533 TRP 37 N -0.0095 -0.0059 -0.0011 3534 TRP 37 CA -0.0091 -0.0055 -0.0008 3535 TRP 37 C -0.0086 -0.0056 -0.0012 3536 TRP 37 O -0.0080 -0.0052 -0.0011 3537 TRP 37 CB -0.0094 -0.0054 -0.0003 3538 TRP 37 CG -0.0098 -0.0057 -0.0005 3539 TRP 37 CD1 -0.0097 -0.0057 -0.0007 3540 TRP 37 CD2 -0.0105 -0.0060 -0.0004 3541 TRP 37 NE1 -0.0101 -0.0060 -0.0007 3542 TRP 37 CE2 -0.0106 -0.0062 -0.0006 3543 TRP 37 CE3 -0.0109 -0.0061 -0.0003 3544 TRP 37 CZ2 -0.0113 -0.0065 -0.0006 3545 TRP 37 CZ3 -0.0115 -0.0064 -0.0004 3546 TRP 37 CH2 -0.0116 -0.0065 -0.0005 3547 THR 38 N -0.0087 -0.0060 -0.0017 3548 THR 38 CA -0.0083 -0.0061 -0.0022 3549 THR 38 C -0.0077 -0.0059 -0.0024 3550 THR 38 O -0.0072 -0.0059 -0.0027 3551 THR 38 CB -0.0085 -0.0065 -0.0027 3552 THR 38 OG1 -0.0088 -0.0068 -0.0029 3553 THR 38 CG2 -0.0089 -0.0066 -0.0024 3554 GLN 39 N -0.0078 -0.0059 -0.0023 3555 GLN 39 CA -0.0073 -0.0058 -0.0025 3556 GLN 39 C -0.0068 -0.0054 -0.0022 3557 GLN 39 O -0.0063 -0.0053 -0.0024 3558 GLN 39 CB -0.0076 -0.0058 -0.0023 3559 GLN 39 CG -0.0080 -0.0063 -0.0026 3560 GLN 39 CD -0.0083 -0.0063 -0.0025 3561 GLN 39 OE1 -0.0081 -0.0059 -0.0021 3562 GLN 39 NE2 -0.0088 -0.0066 -0.0026 3563 ARG 40 N -0.0078 0.0002 -0.0079 3564 ARG 40 CA -0.0068 -0.0005 -0.0062 3565 ARG 40 C -0.0064 -0.0007 -0.0063 3566 ARG 40 O -0.0049 -0.0015 -0.0052 3567 ARG 40 CB -0.0081 -0.0002 -0.0046 3568 ARG 40 CG -0.0091 0.0002 -0.0038 3569 ARG 40 CD -0.0101 0.0003 -0.0022 3570 ARG 40 NE -0.0093 -0.0002 -0.0008 3571 ARG 40 CZ -0.0084 -0.0008 0.0004 3572 ARG 40 NH1 -0.0090 -0.0005 0.0007 3573 ARG 40 NH2 -0.0077 -0.0012 0.0018 3574 PHE 41 N -0.0071 -0.0003 -0.0069 3575 PHE 41 CA -0.0067 -0.0005 -0.0067 3576 PHE 41 C -0.0053 -0.0008 -0.0085 3577 PHE 41 O -0.0052 -0.0010 -0.0081 3578 PHE 41 CB -0.0082 0.0002 -0.0065 3579 PHE 41 CG -0.0096 0.0005 -0.0048 3580 PHE 41 CD1 -0.0110 0.0012 -0.0053 3581 PHE 41 CD2 -0.0092 0.0001 -0.0032 3582 PHE 41 CE1 -0.0118 0.0013 -0.0035 3583 PHE 41 CE2 -0.0101 0.0003 -0.0015 3584 PHE 41 CZ -0.0116 0.0010 -0.0021 3585 PHE 42 N -0.0051 -0.0008 -0.0096 3586 PHE 42 CA -0.0044 -0.0008 -0.0113 3587 PHE 42 C -0.0027 -0.0015 -0.0119 3588 PHE 42 O -0.0023 -0.0015 -0.0136 3589 PHE 42 CB -0.0055 -0.0001 -0.0128 3590 PHE 42 CG -0.0070 0.0004 -0.0123 3591 PHE 42 CD1 -0.0088 0.0011 -0.0118 3592 PHE 42 CD2 -0.0070 0.0004 -0.0124 3593 PHE 42 CE1 -0.0101 0.0017 -0.0114 3594 PHE 42 CE2 -0.0083 0.0009 -0.0119 3595 PHE 42 CZ -0.0100 0.0016 -0.0114 3596 GLU 43 N -0.0057 0.0027 -0.0133 3597 GLU 43 CA -0.0058 0.0044 -0.0110 3598 GLU 43 C -0.0051 0.0067 -0.0116 3599 GLU 43 O -0.0053 0.0074 -0.0100 3600 GLU 43 CB -0.0055 0.0061 -0.0107 3601 GLU 43 CG -0.0053 0.0070 -0.0107 3602 GLU 43 CD -0.0062 0.0054 -0.0082 3603 GLU 43 OE1 -0.0068 0.0054 -0.0057 3604 GLU 43 OE2 -0.0066 0.0055 -0.0066 3605 SER 44 N -0.0045 0.0067 -0.0141 3606 SER 44 CA -0.0038 0.0083 -0.0155 3607 SER 44 C -0.0042 0.0070 -0.0153 3608 SER 44 O -0.0038 0.0076 -0.0161 3609 SER 44 CB -0.0032 0.0087 -0.0179 3610 SER 44 OG -0.0031 0.0070 -0.0197 3611 PHE 45 N -0.0050 0.0045 -0.0146 3612 PHE 45 CA -0.0053 0.0030 -0.0149 3613 PHE 45 C -0.0057 0.0037 -0.0124 3614 PHE 45 O -0.0058 0.0022 -0.0133 3615 PHE 45 CB -0.0059 0.0003 -0.0150 3616 PHE 45 CG -0.0055 -0.0004 -0.0176 3617 PHE 45 CD1 -0.0060 -0.0030 -0.0182 3618 PHE 45 CD2 -0.0048 0.0006 -0.0194 3619 PHE 45 CE1 -0.0055 -0.0039 -0.0210 3620 PHE 45 CE2 -0.0045 -0.0002 -0.0217 3621 PHE 45 CZ -0.0047 -0.0023 -0.0227 3622 GLY 46 N -0.0084 0.0040 -0.0133 3623 GLY 46 CA -0.0074 0.0052 -0.0114 3624 GLY 46 C -0.0054 0.0038 -0.0090 3625 GLY 46 O -0.0056 0.0019 -0.0099 3626 ASP 47 N -0.0048 0.0044 -0.0078 3627 ASP 47 CA -0.0031 0.0030 -0.0057 3628 ASP 47 C -0.0029 0.0002 -0.0065 3629 ASP 47 O -0.0033 0.0013 -0.0067 3630 ASP 47 CB -0.0026 0.0050 -0.0043 3631 ASP 47 CG -0.0007 0.0036 -0.0020 3632 ASP 47 OD1 -0.0003 0.0049 -0.0009 3633 ASP 47 OD2 -0.0003 0.0023 -0.0018 3634 LEU 48 N -0.0025 -0.0013 -0.0063 3635 LEU 48 CA -0.0022 -0.0040 -0.0070 3636 LEU 48 C -0.0005 -0.0055 -0.0049 3637 LEU 48 O -0.0001 -0.0079 -0.0052 3638 LEU 48 CB -0.0030 -0.0052 -0.0085 3639 LEU 48 CG -0.0046 -0.0040 -0.0104 3640 LEU 48 CD1 -0.0056 -0.0058 -0.0126 3641 LEU 48 CD2 -0.0050 -0.0035 -0.0109 3642 SER 49 N 0.0030 -0.0057 -0.0015 3643 SER 49 CA 0.0052 -0.0080 -0.0001 3644 SER 49 C 0.0075 -0.0079 0.0015 3645 SER 49 O 0.0083 -0.0108 0.0020 3646 SER 49 CB 0.0071 -0.0061 0.0013 3647 SER 49 OG 0.0078 -0.0033 0.0019 3648 THR 50 N 0.0066 -0.0057 0.0010 3649 THR 50 CA 0.0076 -0.0077 0.0016 3650 THR 50 C 0.0060 -0.0062 0.0005 3651 THR 50 O 0.0040 -0.0047 -0.0008 3652 THR 50 CB 0.0097 -0.0038 0.0033 3653 THR 50 OG1 0.0087 -0.0006 0.0027 3654 THR 50 CG2 0.0116 -0.0041 0.0046 3655 PRO 51 N 0.0066 -0.0070 0.0009 3656 PRO 51 CA 0.0052 -0.0065 -0.0000 3657 PRO 51 C 0.0041 -0.0037 -0.0006 3658 PRO 51 O 0.0018 -0.0026 -0.0022 3659 PRO 51 CB 0.0068 -0.0078 0.0010 3660 PRO 51 CG 0.0081 -0.0102 0.0018 3661 PRO 51 CD 0.0091 -0.0091 0.0026 3662 ASP 52 N 0.0068 -0.0031 -0.0002 3663 ASP 52 CA 0.0058 -0.0005 -0.0001 3664 ASP 52 C 0.0040 -0.0000 -0.0012 3665 ASP 52 O 0.0030 0.0013 -0.0015 3666 ASP 52 CB 0.0075 0.0003 0.0013 3667 ASP 52 CG 0.0096 0.0001 0.0027 3668 ASP 52 OD1 0.0091 -0.0007 0.0021 3669 ASP 52 OD2 0.0109 -0.0032 0.0026 3670 ALA 53 N 0.0044 -0.0005 -0.0011 3671 ALA 53 CA 0.0030 -0.0000 -0.0019 3672 ALA 53 C 0.0008 -0.0008 -0.0036 3673 ALA 53 O -0.0003 -0.0001 -0.0042 3674 ALA 53 CB 0.0031 -0.0008 -0.0021 3675 VAL 54 N 0.0013 -0.0033 -0.0040 3676 VAL 54 CA -0.0004 -0.0042 -0.0056 3677 VAL 54 C -0.0010 -0.0031 -0.0056 3678 VAL 54 O -0.0029 -0.0022 -0.0066 3679 VAL 54 CB 0.0004 -0.0066 -0.0057 3680 VAL 54 CG1 -0.0014 -0.0073 -0.0072 3681 VAL 54 CG2 0.0009 -0.0078 -0.0057 3682 MET 55 N -0.0000 -0.0017 -0.0066 3683 MET 55 CA 0.0003 -0.0019 -0.0063 3684 MET 55 C -0.0004 -0.0013 -0.0057 3685 MET 55 O -0.0003 -0.0015 -0.0059 3686 MET 55 CB 0.0010 -0.0024 -0.0056 3687 MET 55 CG 0.0015 -0.0028 -0.0061 3688 MET 55 SD 0.0020 -0.0032 -0.0072 3689 MET 55 CE 0.0023 -0.0034 -0.0069 3690 GLY 56 N -0.0008 -0.0010 -0.0055 3691 GLY 56 CA -0.0013 -0.0007 -0.0051 3692 GLY 56 C -0.0020 -0.0002 -0.0057 3693 GLY 56 O -0.0027 0.0003 -0.0055 3694 ASN 57 N -0.0022 -0.0002 -0.0065 3695 ASN 57 CA -0.0029 0.0002 -0.0072 3696 ASN 57 C -0.0029 0.0002 -0.0075 3697 ASN 57 O -0.0025 -0.0001 -0.0078 3698 ASN 57 CB -0.0028 0.0001 -0.0080 3699 ASN 57 CG -0.0034 0.0004 -0.0087 3700 ASN 57 OD1 -0.0037 0.0006 -0.0091 3701 ASN 57 ND2 -0.0036 0.0006 -0.0089 3702 PRO 58 N -0.0052 -0.0017 -0.0071 3703 PRO 58 CA -0.0045 -0.0021 -0.0076 3704 PRO 58 C -0.0038 -0.0014 -0.0098 3705 PRO 58 O -0.0026 -0.0022 -0.0104 3706 PRO 58 CB -0.0057 -0.0013 -0.0072 3707 PRO 58 CG -0.0068 -0.0007 -0.0064 3708 PRO 58 CD -0.0070 -0.0006 -0.0063 3709 LYS 59 N -0.0044 -0.0003 -0.0107 3710 LYS 59 CA -0.0038 0.0002 -0.0124 3711 LYS 59 C -0.0021 -0.0008 -0.0134 3712 LYS 59 O -0.0012 -0.0009 -0.0147 3713 LYS 59 CB -0.0047 0.0016 -0.0134 3714 LYS 59 CG -0.0059 0.0027 -0.0133 3715 LYS 59 CD -0.0068 0.0036 -0.0134 3716 LYS 59 CE -0.0077 0.0054 -0.0149 3717 LYS 59 NZ -0.0093 0.0059 -0.0133 3718 VAL 60 N -0.0023 -0.0014 -0.0121 3719 VAL 60 CA -0.0006 -0.0027 -0.0125 3720 VAL 60 C 0.0004 -0.0037 -0.0125 3721 VAL 60 O 0.0018 -0.0044 -0.0135 3722 VAL 60 CB -0.0010 -0.0029 -0.0116 3723 VAL 60 CG1 0.0006 -0.0044 -0.0117 3724 VAL 60 CG2 -0.0021 -0.0017 -0.0119 3725 LYS 61 N 0.0040 -0.0037 -0.0099 3726 LYS 61 CA 0.0043 -0.0037 -0.0093 3727 LYS 61 C 0.0041 -0.0037 -0.0092 3728 LYS 61 O 0.0045 -0.0037 -0.0092 3729 LYS 61 CB 0.0042 -0.0037 -0.0086 3730 LYS 61 CG 0.0045 -0.0036 -0.0085 3731 LYS 61 CD 0.0042 -0.0036 -0.0080 3732 LYS 61 CE 0.0046 -0.0036 -0.0076 3733 LYS 61 NZ 0.0043 -0.0036 -0.0071 3734 ALA 62 N 0.0034 -0.0037 -0.0094 3735 ALA 62 CA 0.0031 -0.0038 -0.0094 3736 ALA 62 C 0.0035 -0.0038 -0.0099 3737 ALA 62 O 0.0037 -0.0037 -0.0098 3738 ALA 62 CB 0.0024 -0.0038 -0.0095 3739 HIS 63 N 0.0035 -0.0038 -0.0106 3740 HIS 63 CA 0.0039 -0.0038 -0.0111 3741 HIS 63 C 0.0047 -0.0037 -0.0111 3742 HIS 63 O 0.0049 -0.0037 -0.0113 3743 HIS 63 CB 0.0037 -0.0038 -0.0118 3744 HIS 63 CG 0.0038 -0.0039 -0.0126 3745 HIS 63 ND1 0.0035 -0.0039 -0.0126 3746 HIS 63 CD2 0.0044 -0.0038 -0.0130 3747 HIS 63 CE1 0.0040 -0.0039 -0.0133 3748 HIS 63 NE2 0.0042 -0.0039 -0.0135 3749 GLY 64 N 0.0107 -0.0052 -0.0094 3750 GLY 64 CA 0.0109 -0.0036 -0.0092 3751 GLY 64 C 0.0099 -0.0021 -0.0079 3752 GLY 64 O 0.0092 -0.0016 -0.0072 3753 LYS 65 N 0.0092 -0.0020 -0.0073 3754 LYS 65 CA 0.0080 -0.0009 -0.0060 3755 LYS 65 C 0.0066 -0.0018 -0.0050 3756 LYS 65 O 0.0059 -0.0008 -0.0041 3757 LYS 65 CB 0.0079 -0.0007 -0.0058 3758 LYS 65 CG 0.0066 0.0004 -0.0045 3759 LYS 65 CD 0.0066 -0.0002 -0.0046 3760 LYS 65 CE 0.0045 0.0006 -0.0025 3761 LYS 65 NZ 0.0046 0.0013 -0.0025 3762 LYS 66 N 0.0062 -0.0037 -0.0052 3763 LYS 66 CA 0.0049 -0.0049 -0.0043 3764 LYS 66 C 0.0051 -0.0042 -0.0042 3765 LYS 66 O 0.0039 -0.0041 -0.0032 3766 LYS 66 CB 0.0048 -0.0068 -0.0046 3767 LYS 66 CG 0.0041 -0.0082 -0.0044 3768 LYS 66 CD 0.0035 -0.0100 -0.0043 3769 LYS 66 CE 0.0012 -0.0104 -0.0024 3770 LYS 66 NZ 0.0007 -0.0131 -0.0026 3771 VAL 67 N 0.0025 -0.0077 -0.0046 3772 VAL 67 CA 0.0025 -0.0084 -0.0049 3773 VAL 67 C 0.0028 -0.0069 -0.0045 3774 VAL 67 O 0.0019 -0.0071 -0.0042 3775 VAL 67 CB 0.0045 -0.0097 -0.0060 3776 VAL 67 CG1 0.0054 -0.0095 -0.0062 3777 VAL 67 CG2 0.0043 -0.0113 -0.0065 3778 LEU 68 N 0.0038 -0.0053 -0.0042 3779 LEU 68 CA 0.0040 -0.0039 -0.0037 3780 LEU 68 C 0.0022 -0.0027 -0.0027 3781 LEU 68 O 0.0016 -0.0020 -0.0023 3782 LEU 68 CB 0.0056 -0.0021 -0.0036 3783 LEU 68 CG 0.0071 -0.0017 -0.0040 3784 LEU 68 CD1 0.0074 -0.0026 -0.0044 3785 LEU 68 CD2 0.0086 -0.0003 -0.0039 3786 GLY 69 N 0.0010 -0.0028 -0.0024 3787 GLY 69 CA -0.0010 -0.0024 -0.0016 3788 GLY 69 C -0.0025 -0.0034 -0.0015 3789 GLY 69 O -0.0032 -0.0026 -0.0010 3790 ALA 70 N -0.0060 -0.0092 0.0003 3791 ALA 70 CA -0.0073 -0.0104 0.0008 3792 ALA 70 C -0.0070 -0.0098 0.0007 3793 ALA 70 O -0.0082 -0.0097 0.0013 3794 ALA 70 CB -0.0070 -0.0124 0.0004 3795 PHE 71 N -0.0053 -0.0094 -0.0001 3796 PHE 71 CA -0.0047 -0.0085 -0.0003 3797 PHE 71 C -0.0056 -0.0065 0.0004 3798 PHE 71 O -0.0065 -0.0065 0.0008 3799 PHE 71 CB -0.0026 -0.0085 -0.0013 3800 PHE 71 CG -0.0020 -0.0076 -0.0015 3801 PHE 71 CD1 -0.0014 -0.0092 -0.0019 3802 PHE 71 CD2 -0.0018 -0.0055 -0.0013 3803 PHE 71 CE1 -0.0010 -0.0083 -0.0020 3804 PHE 71 CE2 -0.0014 -0.0051 -0.0015 3805 PHE 71 CZ -0.0009 -0.0065 -0.0018 3806 SER 72 N -0.0057 -0.0054 0.0005 3807 SER 72 CA -0.0065 -0.0036 0.0011 3808 SER 72 C -0.0082 -0.0037 0.0020 3809 SER 72 O -0.0092 -0.0027 0.0025 3810 SER 72 CB -0.0063 -0.0015 0.0013 3811 SER 72 OG -0.0046 -0.0019 0.0004 3812 ASP 73 N -0.0110 -0.0073 0.0060 3813 ASP 73 CA -0.0116 -0.0076 0.0060 3814 ASP 73 C -0.0110 -0.0074 0.0055 3815 ASP 73 O -0.0104 -0.0070 0.0060 3816 ASP 73 CB -0.0143 -0.0088 0.0059 3817 ASP 73 CG -0.0145 -0.0083 0.0075 3818 ASP 73 OD1 -0.0152 -0.0081 0.0087 3819 ASP 73 OD2 -0.0172 -0.0099 0.0064 3820 GLY 74 N -0.0095 -0.0076 0.0034 3821 GLY 74 CA -0.0083 -0.0074 0.0025 3822 GLY 74 C -0.0063 -0.0063 0.0030 3823 GLY 74 O -0.0053 -0.0059 0.0028 3824 LEU 75 N -0.0058 -0.0056 0.0041 3825 LEU 75 CA -0.0042 -0.0045 0.0052 3826 LEU 75 C -0.0044 -0.0041 0.0066 3827 LEU 75 O -0.0030 -0.0032 0.0072 3828 LEU 75 CB -0.0034 -0.0040 0.0057 3829 LEU 75 CG -0.0022 -0.0039 0.0044 3830 LEU 75 CD1 -0.0016 -0.0043 0.0027 3831 LEU 75 CD2 -0.0022 -0.0040 0.0042 3832 ALA 76 N -0.0038 -0.0073 0.0109 3833 ALA 76 CA -0.0039 -0.0074 0.0120 3834 ALA 76 C -0.0035 -0.0072 0.0106 3835 ALA 76 O -0.0025 -0.0071 0.0110 3836 ALA 76 CB -0.0057 -0.0077 0.0127 3837 HIS 77 N -0.0030 -0.0070 0.0085 3838 HIS 77 CA -0.0025 -0.0069 0.0073 3839 HIS 77 C -0.0016 -0.0066 0.0050 3840 HIS 77 O -0.0017 -0.0065 0.0032 3841 HIS 77 CB -0.0045 -0.0071 0.0059 3842 HIS 77 CG -0.0059 -0.0075 0.0073 3843 HIS 77 ND1 -0.0073 -0.0077 0.0079 3844 HIS 77 CD2 -0.0059 -0.0075 0.0077 3845 HIS 77 CE1 -0.0086 -0.0081 0.0100 3846 HIS 77 NE2 -0.0075 -0.0079 0.0099 3847 LEU 78 N 0.0003 -0.0063 0.0057 3848 LEU 78 CA 0.0018 -0.0060 0.0045 3849 LEU 78 C 0.0027 -0.0057 0.0027 3850 LEU 78 O 0.0034 -0.0055 0.0014 3851 LEU 78 CB 0.0031 -0.0058 0.0055 3852 LEU 78 CG 0.0025 -0.0059 0.0053 3853 LEU 78 CD1 0.0039 -0.0058 0.0074 3854 LEU 78 CD2 0.0019 -0.0060 0.0045 3855 ASP 79 N 0.0080 -0.0059 0.0055 3856 ASP 79 CA 0.0106 -0.0051 0.0020 3857 ASP 79 C 0.0069 -0.0060 -0.0010 3858 ASP 79 O 0.0078 -0.0056 -0.0045 3859 ASP 79 CB 0.0110 -0.0051 0.0061 3860 ASP 79 CG 0.0127 -0.0048 0.0097 3861 ASP 79 OD1 0.0163 -0.0039 0.0132 3862 ASP 79 OD2 0.0186 -0.0031 0.0065 3863 ASN 80 N 0.0029 -0.0071 0.0003 3864 ASN 80 CA -0.0005 -0.0078 -0.0043 3865 ASN 80 C -0.0053 -0.0091 -0.0045 3866 ASN 80 O -0.0086 -0.0100 -0.0050 3867 ASN 80 CB -0.0023 -0.0084 -0.0031 3868 ASN 80 CG -0.0046 -0.0090 -0.0018 3869 ASN 80 OD1 -0.0065 -0.0094 -0.0065 3870 ASN 80 ND2 -0.0049 -0.0092 0.0023 3871 LEU 81 N -0.0030 -0.0084 -0.0073 3872 LEU 81 CA -0.0065 -0.0093 -0.0084 3873 LEU 81 C -0.0100 -0.0101 -0.0123 3874 LEU 81 O -0.0141 -0.0112 -0.0120 3875 LEU 81 CB -0.0037 -0.0085 -0.0101 3876 LEU 81 CG -0.0018 -0.0081 -0.0062 3877 LEU 81 CD1 0.0010 -0.0073 -0.0079 3878 LEU 81 CD2 -0.0043 -0.0089 -0.0025 3879 LYS 82 N -0.0056 -0.0164 -0.0109 3880 LYS 82 CA -0.0062 -0.0142 -0.0120 3881 LYS 82 C -0.0068 -0.0120 -0.0136 3882 LYS 82 O -0.0075 -0.0096 -0.0136 3883 LYS 82 CB -0.0057 -0.0159 -0.0138 3884 LYS 82 CG -0.0055 -0.0169 -0.0121 3885 LYS 82 CD -0.0050 -0.0185 -0.0142 3886 LYS 82 CE -0.0044 -0.0207 -0.0095 3887 LYS 82 NZ -0.0038 -0.0228 -0.0131 3888 GLY 83 N -0.0067 -0.0123 -0.0159 3889 GLY 83 CA -0.0073 -0.0102 -0.0180 3890 GLY 83 C -0.0077 -0.0088 -0.0164 3891 GLY 83 O -0.0086 -0.0056 -0.0161 3892 THR 84 N -0.0075 -0.0097 -0.0135 3893 THR 84 CA -0.0079 -0.0080 -0.0120 3894 THR 84 C -0.0087 -0.0054 -0.0105 3895 THR 84 O -0.0092 -0.0036 -0.0095 3896 THR 84 CB -0.0075 -0.0097 -0.0096 3897 THR 84 OG1 -0.0070 -0.0113 -0.0113 3898 THR 84 CG2 -0.0078 -0.0084 -0.0074 3899 PHE 85 N 0.0026 -0.0081 -0.0125 3900 PHE 85 CA 0.0032 -0.0057 -0.0089 3901 PHE 85 C 0.0059 -0.0023 -0.0065 3902 PHE 85 O 0.0065 0.0002 -0.0029 3903 PHE 85 CB -0.0005 -0.0071 -0.0057 3904 PHE 85 CG -0.0017 -0.0093 -0.0080 3905 PHE 85 CD1 -0.0051 -0.0129 -0.0094 3906 PHE 85 CD2 -0.0005 -0.0083 -0.0081 3907 PHE 85 CE1 -0.0069 -0.0154 -0.0115 3908 PHE 85 CE2 -0.0021 -0.0111 -0.0107 3909 PHE 85 CZ -0.0052 -0.0146 -0.0126 3910 ALA 86 N 0.0072 -0.0016 -0.0073 3911 ALA 86 CA 0.0089 0.0016 -0.0040 3912 ALA 86 C 0.0127 0.0048 -0.0038 3913 ALA 86 O 0.0130 0.0071 0.0001 3914 ALA 86 CB 0.0112 0.0020 -0.0068 3915 THR 87 N 0.0147 0.0046 -0.0073 3916 THR 87 CA 0.0180 0.0078 -0.0064 3917 THR 87 C 0.0168 0.0085 -0.0032 3918 THR 87 O 0.0183 0.0112 -0.0004 3919 THR 87 CB 0.0207 0.0076 -0.0110 3920 THR 87 OG1 0.0218 0.0071 -0.0137 3921 THR 87 CG2 0.0241 0.0107 -0.0105 3922 LEU 88 N 0.0159 0.0032 -0.0062 3923 LEU 88 CA 0.0131 0.0034 -0.0031 3924 LEU 88 C 0.0105 0.0049 0.0005 3925 LEU 88 O 0.0090 0.0074 0.0035 3926 LEU 88 CB 0.0106 -0.0010 -0.0032 3927 LEU 88 CG 0.0122 -0.0020 -0.0054 3928 LEU 88 CD1 0.0102 -0.0066 -0.0060 3929 LEU 88 CD2 0.0127 0.0009 -0.0041 3930 SER 89 N 0.0105 0.0036 -0.0003 3931 SER 89 CA 0.0088 0.0053 0.0026 3932 SER 89 C 0.0098 0.0103 0.0045 3933 SER 89 O 0.0084 0.0130 0.0076 3934 SER 89 CB 0.0089 0.0041 0.0017 3935 SER 89 OG 0.0069 0.0054 0.0046 3936 GLU 90 N 0.0135 0.0124 0.0019 3937 GLU 90 CA 0.0153 0.0170 0.0026 3938 GLU 90 C 0.0149 0.0191 0.0044 3939 GLU 90 O 0.0143 0.0221 0.0068 3940 GLU 90 CB 0.0191 0.0175 -0.0011 3941 GLU 90 CG 0.0203 0.0222 0.0005 3942 GLU 90 CD 0.0257 0.0221 -0.0052 3943 GLU 90 OE1 0.0267 0.0246 -0.0047 3944 GLU 90 OE2 0.0251 0.0181 -0.0069 3945 LEU 91 N 0.0123 0.0118 0.0017 3946 LEU 91 CA 0.0110 0.0128 0.0029 3947 LEU 91 C 0.0086 0.0133 0.0050 3948 LEU 91 O 0.0074 0.0151 0.0063 3949 LEU 91 CB 0.0113 0.0104 0.0023 3950 LEU 91 CG 0.0098 0.0104 0.0035 3951 LEU 91 CD1 0.0106 0.0134 0.0034 3952 LEU 91 CD2 0.0097 0.0080 0.0033 3953 HIS 92 N 0.0075 0.0108 0.0055 3954 HIS 92 CA 0.0049 0.0109 0.0077 3955 HIS 92 C 0.0047 0.0133 0.0082 3956 HIS 92 O 0.0030 0.0145 0.0098 3957 HIS 92 CB 0.0043 0.0083 0.0077 3958 HIS 92 CG 0.0035 0.0058 0.0081 3959 HIS 92 ND1 0.0055 0.0044 0.0062 3960 HIS 92 CD2 0.0018 0.0044 0.0092 3961 HIS 92 CE1 0.0042 0.0024 0.0070 3962 HIS 92 NE2 0.0022 0.0025 0.0086 3963 CYS 93 N 0.0064 0.0143 0.0070 3964 CYS 93 CA 0.0061 0.0171 0.0076 3965 CYS 93 C 0.0064 0.0200 0.0078 3966 CYS 93 O 0.0050 0.0213 0.0091 3967 CYS 93 CB 0.0075 0.0164 0.0063 3968 CYS 93 SG 0.0072 0.0199 0.0071 3969 ASP 94 N 0.0094 0.0262 0.0057 3970 ASP 94 CA 0.0107 0.0303 0.0056 3971 ASP 94 C 0.0079 0.0282 0.0059 3972 ASP 94 O 0.0069 0.0311 0.0061 3973 ASP 94 CB 0.0165 0.0298 0.0048 3974 ASP 94 CG 0.0202 0.0331 0.0044 3975 ASP 94 OD1 0.0170 0.0347 0.0049 3976 ASP 94 OD2 0.0255 0.0303 0.0037 3977 LYS 95 N 0.0073 0.0233 0.0059 3978 LYS 95 CA 0.0047 0.0211 0.0062 3979 LYS 95 C -0.0006 0.0204 0.0069 3980 LYS 95 O -0.0043 0.0212 0.0074 3981 LYS 95 CB 0.0077 0.0164 0.0058 3982 LYS 95 CG 0.0138 0.0168 0.0050 3983 LYS 95 CD 0.0137 0.0230 0.0051 3984 LYS 95 CE 0.0178 0.0259 0.0046 3985 LYS 95 NZ 0.0150 0.0310 0.0051 3986 LEU 96 N -0.0024 0.0172 0.0070 3987 LEU 96 CA -0.0077 0.0153 0.0077 3988 LEU 96 C -0.0116 0.0195 0.0083 3989 LEU 96 O -0.0163 0.0184 0.0088 3990 LEU 96 CB -0.0074 0.0098 0.0076 3991 LEU 96 CG -0.0041 0.0055 0.0071 3992 LEU 96 CD1 -0.0039 0.0002 0.0070 3993 LEU 96 CD2 -0.0061 0.0048 0.0073 3994 HIS 97 N -0.0115 0.0166 0.0005 3995 HIS 97 CA -0.0111 0.0169 -0.0009 3996 HIS 97 C -0.0095 0.0146 0.0019 3997 HIS 97 O -0.0103 0.0147 0.0029 3998 HIS 97 CB -0.0141 0.0192 -0.0016 3999 HIS 97 CG -0.0161 0.0218 -0.0045 4000 HIS 97 ND1 -0.0143 0.0219 -0.0079 4001 HIS 97 CD2 -0.0191 0.0234 -0.0030 4002 HIS 97 CE1 -0.0166 0.0244 -0.0101 4003 HIS 97 NE2 -0.0189 0.0248 -0.0070 4004 VAL 98 N -0.0070 0.0121 0.0035 4005 VAL 98 CA -0.0057 0.0100 0.0064 4006 VAL 98 C -0.0023 0.0084 0.0044 4007 VAL 98 O 0.0000 0.0074 0.0026 4008 VAL 98 CB -0.0044 0.0081 0.0090 4009 VAL 98 CG1 -0.0024 0.0056 0.0117 4010 VAL 98 CG2 -0.0081 0.0098 0.0113 4011 ASP 99 N -0.0023 0.0081 0.0050 4012 ASP 99 CA 0.0010 0.0064 0.0035 4013 ASP 99 C 0.0037 0.0038 0.0053 4014 ASP 99 O 0.0031 0.0027 0.0091 4015 ASP 99 CB 0.0001 0.0065 0.0049 4016 ASP 99 CG 0.0031 0.0049 0.0036 4017 ASP 99 OD1 0.0017 0.0055 0.0044 4018 ASP 99 OD2 0.0058 0.0037 0.0017 4019 PRO 100 N 0.0018 0.0016 0.0080 4020 PRO 100 CA 0.0022 0.0006 0.0078 4021 PRO 100 C 0.0007 -0.0000 0.0078 4022 PRO 100 O 0.0010 -0.0012 0.0076 4023 PRO 100 CB 0.0037 0.0010 0.0077 4024 PRO 100 CG 0.0038 0.0025 0.0079 4025 PRO 100 CD 0.0027 0.0029 0.0081 4026 GLU 101 N -0.0004 0.0009 0.0081 4027 GLU 101 CA -0.0017 0.0003 0.0081 4028 GLU 101 C -0.0023 -0.0011 0.0080 4029 GLU 101 O -0.0028 -0.0022 0.0078 4030 GLU 101 CB -0.0028 0.0014 0.0084 4031 GLU 101 CG -0.0044 0.0007 0.0084 4032 GLU 101 CD -0.0042 0.0003 0.0084 4033 GLU 101 OE1 -0.0032 0.0014 0.0084 4034 GLU 101 OE2 -0.0056 -0.0004 0.0084 4035 ASN 102 N -0.0019 -0.0014 0.0079 4036 ASN 102 CA -0.0023 -0.0029 0.0077 4037 ASN 102 C -0.0014 -0.0041 0.0074 4038 ASN 102 O -0.0021 -0.0055 0.0073 4039 ASN 102 CB -0.0018 -0.0028 0.0076 4040 ASN 102 CG -0.0029 -0.0019 0.0079 4041 ASN 102 OD1 -0.0041 -0.0022 0.0080 4042 ASN 102 ND2 -0.0023 -0.0005 0.0081 4043 PHE 103 N -0.0009 -0.0039 0.0081 4044 PHE 103 CA -0.0013 -0.0042 0.0072 4045 PHE 103 C -0.0026 -0.0045 0.0069 4046 PHE 103 O -0.0029 -0.0047 0.0060 4047 PHE 103 CB -0.0014 -0.0042 0.0072 4048 PHE 103 CG -0.0002 -0.0038 0.0075 4049 PHE 103 CD1 0.0008 -0.0037 0.0069 4050 PHE 103 CD2 -0.0000 -0.0037 0.0082 4051 PHE 103 CE1 0.0019 -0.0034 0.0071 4052 PHE 103 CE2 0.0011 -0.0034 0.0083 4053 PHE 103 CZ 0.0020 -0.0033 0.0079 4054 ARG 104 N -0.0032 -0.0045 0.0079 4055 ARG 104 CA -0.0044 -0.0048 0.0079 4056 ARG 104 C -0.0044 -0.0049 0.0074 4057 ARG 104 O -0.0051 -0.0051 0.0068 4058 ARG 104 CB -0.0050 -0.0048 0.0091 4059 ARG 104 CG -0.0049 -0.0048 0.0093 4060 ARG 104 CD -0.0054 -0.0047 0.0106 4061 ARG 104 NE -0.0053 -0.0047 0.0103 4062 ARG 104 CZ -0.0054 -0.0045 0.0125 4063 ARG 104 NH1 -0.0056 -0.0045 0.0126 4064 ARG 104 NH2 -0.0062 -0.0047 0.0121 4065 LEU 105 N -0.0037 -0.0046 0.0079 4066 LEU 105 CA -0.0037 -0.0047 0.0075 4067 LEU 105 C -0.0035 -0.0048 0.0063 4068 LEU 105 O -0.0040 -0.0050 0.0057 4069 LEU 105 CB -0.0030 -0.0044 0.0082 4070 LEU 105 CG -0.0031 -0.0043 0.0094 4071 LEU 105 CD1 -0.0023 -0.0040 0.0101 4072 LEU 105 CD2 -0.0042 -0.0045 0.0097 4073 LEU 106 N -0.0013 -0.0050 0.0059 4074 LEU 106 CA -0.0013 -0.0043 0.0057 4075 LEU 106 C -0.0018 -0.0036 0.0057 4076 LEU 106 O -0.0017 -0.0029 0.0055 4077 LEU 106 CB -0.0017 -0.0046 0.0060 4078 LEU 106 CG -0.0018 -0.0039 0.0058 4079 LEU 106 CD1 -0.0011 -0.0036 0.0054 4080 LEU 106 CD2 -0.0022 -0.0042 0.0061 4081 GLY 107 N -0.0024 -0.0037 0.0061 4082 GLY 107 CA -0.0030 -0.0031 0.0061 4083 GLY 107 C -0.0026 -0.0026 0.0058 4084 GLY 107 O -0.0026 -0.0019 0.0056 4085 ASN 108 N -0.0020 -0.0030 0.0056 4086 ASN 108 CA -0.0016 -0.0027 0.0053 4087 ASN 108 C -0.0010 -0.0022 0.0049 4088 ASN 108 O -0.0009 -0.0015 0.0046 4089 ASN 108 CB -0.0012 -0.0032 0.0053 4090 ASN 108 CG -0.0019 -0.0035 0.0057 4091 ASN 108 OD1 -0.0025 -0.0029 0.0058 4092 ASN 108 ND2 -0.0014 -0.0040 0.0057 4093 VAL 109 N 0.0004 -0.0009 0.0041 4094 VAL 109 CA 0.0006 -0.0008 0.0039 4095 VAL 109 C 0.0004 -0.0004 0.0042 4096 VAL 109 O 0.0006 -0.0000 0.0040 4097 VAL 109 CB 0.0006 -0.0013 0.0038 4098 VAL 109 CG1 0.0008 -0.0013 0.0037 4099 VAL 109 CG2 0.0009 -0.0017 0.0035 4100 LEU 110 N -0.0000 -0.0005 0.0046 4101 LEU 110 CA -0.0002 -0.0001 0.0049 4102 LEU 110 C -0.0001 0.0005 0.0048 4103 LEU 110 O -0.0001 0.0009 0.0048 4104 LEU 110 CB -0.0006 -0.0002 0.0053 4105 LEU 110 CG -0.0009 0.0001 0.0056 4106 LEU 110 CD1 -0.0008 0.0002 0.0055 4107 LEU 110 CD2 -0.0013 -0.0001 0.0060 4108 VAL 111 N -0.0001 0.0006 0.0048 4109 VAL 111 CA -0.0000 0.0011 0.0047 4110 VAL 111 C 0.0004 0.0014 0.0044 4111 VAL 111 O 0.0004 0.0019 0.0043 4112 VAL 111 CB -0.0001 0.0011 0.0048 4113 VAL 111 CG1 0.0001 0.0017 0.0046 4114 VAL 111 CG2 -0.0005 0.0010 0.0052 4115 CYS 112 N 0.0026 0.0032 0.0054 4116 CYS 112 CA 0.0030 0.0033 0.0052 4117 CYS 112 C 0.0033 0.0039 0.0044 4118 CYS 112 O 0.0032 0.0041 0.0040 4119 CYS 112 CB 0.0037 0.0032 0.0057 4120 CYS 112 SG 0.0033 0.0027 0.0064 4121 VAL 113 N 0.0036 0.0039 0.0043 4122 VAL 113 CA 0.0040 0.0044 0.0037 4123 VAL 113 C 0.0034 0.0046 0.0031 4124 VAL 113 O 0.0035 0.0050 0.0026 4125 VAL 113 CB 0.0044 0.0044 0.0038 4126 VAL 113 CG1 0.0047 0.0048 0.0031 4127 VAL 113 CG2 0.0053 0.0042 0.0043 4128 LEU 114 N 0.0027 0.0045 0.0032 4129 LEU 114 CA 0.0020 0.0047 0.0027 4130 LEU 114 C 0.0018 0.0048 0.0025 4131 LEU 114 O 0.0016 0.0051 0.0019 4132 LEU 114 CB 0.0014 0.0045 0.0029 4133 LEU 114 CG 0.0017 0.0044 0.0031 4134 LEU 114 CD1 0.0010 0.0042 0.0033 4135 LEU 114 CD2 0.0018 0.0049 0.0023 4136 ALA 115 N 0.0020 0.0037 0.0039 4137 ALA 115 CA 0.0012 0.0026 0.0046 4138 ALA 115 C 0.0020 0.0034 0.0048 4139 ALA 115 O 0.0014 0.0029 0.0043 4140 ALA 115 CB 0.0007 0.0016 0.0066 4141 HIS 116 N 0.0032 0.0045 0.0058 4142 HIS 116 CA 0.0041 0.0054 0.0060 4143 HIS 116 C 0.0042 0.0061 0.0041 4144 HIS 116 O 0.0042 0.0061 0.0038 4145 HIS 116 CB 0.0054 0.0066 0.0071 4146 HIS 116 CG 0.0063 0.0075 0.0076 4147 HIS 116 ND1 0.0074 0.0088 0.0073 4148 HIS 116 CD2 0.0059 0.0069 0.0085 4149 HIS 116 CE1 0.0081 0.0094 0.0082 4150 HIS 116 NE2 0.0071 0.0081 0.0088 4151 HIS 117 N 0.0045 0.0067 0.0028 4152 HIS 117 CA 0.0048 0.0075 0.0010 4153 HIS 117 C 0.0035 0.0063 -0.0002 4154 HIS 117 O 0.0035 0.0066 -0.0013 4155 HIS 117 CB 0.0054 0.0084 0.0001 4156 HIS 117 CG 0.0057 0.0091 -0.0015 4157 HIS 117 ND1 0.0072 0.0107 -0.0014 4158 HIS 117 CD2 0.0053 0.0091 -0.0037 4159 HIS 117 CE1 0.0069 0.0110 -0.0038 4160 HIS 117 NE2 0.0061 0.0103 -0.0046 4161 PHE 118 N 0.0046 0.0090 0.0032 4162 PHE 118 CA 0.0027 0.0076 0.0014 4163 PHE 118 C 0.0016 0.0060 0.0026 4164 PHE 118 O 0.0001 0.0048 0.0011 4165 PHE 118 CB 0.0018 0.0068 0.0005 4166 PHE 118 CG 0.0030 0.0086 -0.0013 4167 PHE 118 CD1 0.0040 0.0096 -0.0011 4168 PHE 118 CD2 0.0028 0.0092 -0.0039 4169 PHE 118 CE1 0.0051 0.0111 -0.0024 4170 PHE 118 CE2 0.0041 0.0109 -0.0055 4171 PHE 118 CZ 0.0053 0.0120 -0.0046 4172 GLY 119 N 0.0017 0.0054 0.0051 4173 GLY 119 CA 0.0006 0.0040 0.0061 4174 GLY 119 C -0.0014 0.0019 0.0057 4175 GLY 119 O -0.0020 0.0013 0.0055 4176 LYS 120 N -0.0027 0.0009 0.0046 4177 LYS 120 CA -0.0046 -0.0011 0.0046 4178 LYS 120 C -0.0053 -0.0013 0.0023 4179 LYS 120 O -0.0068 -0.0028 0.0023 4180 LYS 120 CB -0.0055 -0.0020 0.0043 4181 LYS 120 CG -0.0061 -0.0020 0.0017 4182 LYS 120 CD -0.0074 -0.0028 -0.0001 4183 LYS 120 CE -0.0064 -0.0011 -0.0023 4184 LYS 120 NZ -0.0087 -0.0027 -0.0053 4185 GLU 121 N -0.0010 0.0029 0.0024 4186 GLU 121 CA -0.0017 0.0029 0.0010 4187 GLU 121 C -0.0019 0.0023 0.0013 4188 GLU 121 O -0.0029 0.0018 0.0001 4189 GLU 121 CB -0.0012 0.0048 -0.0006 4190 GLU 121 CG -0.0018 0.0048 -0.0019 4191 GLU 121 CD -0.0016 0.0066 -0.0040 4192 GLU 121 OE1 -0.0020 0.0067 -0.0048 4193 GLU 121 OE2 -0.0005 0.0077 -0.0030 4194 PHE 122 N -0.0010 0.0026 0.0028 4195 PHE 122 CA -0.0011 0.0021 0.0033 4196 PHE 122 C -0.0019 0.0002 0.0043 4197 PHE 122 O -0.0014 -0.0003 0.0060 4198 PHE 122 CB 0.0001 0.0031 0.0045 4199 PHE 122 CG 0.0003 0.0031 0.0047 4200 PHE 122 CD1 -0.0000 0.0036 0.0035 4201 PHE 122 CD2 0.0005 0.0023 0.0064 4202 PHE 122 CE1 0.0001 0.0036 0.0036 4203 PHE 122 CE2 0.0005 0.0021 0.0067 4204 PHE 122 CZ 0.0003 0.0028 0.0052 4205 THR 123 N -0.0030 -0.0008 0.0033 4206 THR 123 CA -0.0038 -0.0026 0.0042 4207 THR 123 C -0.0039 -0.0033 0.0048 4208 THR 123 O -0.0037 -0.0027 0.0045 4209 THR 123 CB -0.0050 -0.0035 0.0028 4210 THR 123 OG1 -0.0056 -0.0032 0.0013 4211 THR 123 CG2 -0.0049 -0.0025 0.0017 4212 PRO 124 N -0.0020 -0.0027 0.0067 4213 PRO 124 CA -0.0021 -0.0031 0.0065 4214 PRO 124 C -0.0024 -0.0031 0.0054 4215 PRO 124 O -0.0024 -0.0028 0.0052 4216 PRO 124 CB -0.0020 -0.0041 0.0071 4217 PRO 124 CG -0.0018 -0.0040 0.0079 4218 PRO 124 CD -0.0019 -0.0034 0.0073 4219 PRO 125 N -0.0026 -0.0034 0.0047 4220 PRO 125 CA -0.0028 -0.0034 0.0037 4221 PRO 125 C -0.0029 -0.0024 0.0032 4222 PRO 125 O -0.0030 -0.0021 0.0026 4223 PRO 125 CB -0.0030 -0.0039 0.0032 4224 PRO 125 CG -0.0029 -0.0046 0.0039 4225 PRO 125 CD -0.0026 -0.0042 0.0048 4226 VAL 126 N -0.0027 -0.0016 0.0036 4227 VAL 126 CA -0.0027 -0.0006 0.0032 4228 VAL 126 C -0.0026 -0.0001 0.0036 4229 VAL 126 O -0.0027 0.0004 0.0031 4230 VAL 126 CB -0.0026 0.0002 0.0036 4231 VAL 126 CG1 -0.0026 0.0011 0.0032 4232 VAL 126 CG2 -0.0028 -0.0004 0.0030 4233 GLN 127 N -0.0014 0.0011 0.0057 4234 GLN 127 CA -0.0014 0.0008 0.0055 4235 GLN 127 C -0.0017 0.0005 0.0051 4236 GLN 127 O -0.0020 0.0004 0.0049 4237 GLN 127 CB -0.0009 0.0007 0.0058 4238 GLN 127 CG -0.0009 0.0004 0.0056 4239 GLN 127 CD -0.0004 0.0002 0.0057 4240 GLN 127 OE1 -0.0001 0.0003 0.0060 4241 GLN 127 NE2 -0.0004 -0.0000 0.0056 4242 ALA 128 N -0.0015 0.0001 0.0050 4243 ALA 128 CA -0.0017 -0.0003 0.0046 4244 ALA 128 C -0.0023 -0.0002 0.0044 4245 ALA 128 O -0.0025 -0.0004 0.0041 4246 ALA 128 CB -0.0015 -0.0006 0.0046 4247 ALA 129 N -0.0024 0.0002 0.0045 4248 ALA 129 CA -0.0029 0.0004 0.0043 4249 ALA 129 C -0.0032 0.0006 0.0043 4250 ALA 129 O -0.0036 0.0005 0.0040 4251 ALA 129 CB -0.0031 0.0008 0.0045 4252 TYR 130 N -0.0025 0.0025 0.0041 4253 TYR 130 CA -0.0023 0.0018 0.0039 4254 TYR 130 C -0.0022 0.0014 0.0038 4255 TYR 130 O -0.0022 0.0007 0.0041 4256 TYR 130 CB -0.0020 0.0017 0.0033 4257 TYR 130 CG -0.0021 0.0017 0.0035 4258 TYR 130 CD1 -0.0021 0.0011 0.0037 4259 TYR 130 CD2 -0.0022 0.0023 0.0035 4260 TYR 130 CE1 -0.0021 0.0009 0.0040 4261 TYR 130 CE2 -0.0023 0.0023 0.0037 4262 TYR 130 CZ -0.0023 0.0017 0.0040 4263 TYR 130 OH -0.0023 0.0016 0.0042 4264 GLN 131 N -0.0021 0.0017 0.0036 4265 GLN 131 CA -0.0021 0.0014 0.0036 4266 GLN 131 C -0.0023 0.0011 0.0042 4267 GLN 131 O -0.0022 0.0005 0.0044 4268 GLN 131 CB -0.0019 0.0018 0.0031 4269 GLN 131 CG -0.0017 0.0019 0.0024 4270 GLN 131 CD -0.0013 0.0012 0.0018 4271 GLN 131 OE1 -0.0011 0.0014 0.0013 4272 GLN 131 NE2 -0.0013 0.0007 0.0021 4273 LYS 132 N -0.0026 0.0016 0.0048 4274 LYS 132 CA -0.0028 0.0014 0.0055 4275 LYS 132 C -0.0029 0.0008 0.0058 4276 LYS 132 O -0.0029 0.0003 0.0061 4277 LYS 132 CB -0.0031 0.0020 0.0059 4278 LYS 132 CG -0.0032 0.0026 0.0058 4279 LYS 132 CD -0.0035 0.0033 0.0063 4280 LYS 132 CE -0.0034 0.0040 0.0057 4281 LYS 132 NZ -0.0039 0.0045 0.0068 4282 VAL 133 N -0.0064 -0.0040 0.0039 4283 VAL 133 CA -0.0072 -0.0041 0.0041 4284 VAL 133 C -0.0070 -0.0050 0.0037 4285 VAL 133 O -0.0077 -0.0057 0.0038 4286 VAL 133 CB -0.0073 -0.0031 0.0045 4287 VAL 133 CG1 -0.0078 -0.0033 0.0047 4288 VAL 133 CG2 -0.0076 -0.0023 0.0049 4289 VAL 134 N -0.0061 -0.0049 0.0034 4290 VAL 134 CA -0.0059 -0.0057 0.0031 4291 VAL 134 C -0.0060 -0.0069 0.0027 4292 VAL 134 O -0.0064 -0.0076 0.0026 4293 VAL 134 CB -0.0049 -0.0054 0.0028 4294 VAL 134 CG1 -0.0048 -0.0045 0.0031 4295 VAL 134 CG2 -0.0041 -0.0056 0.0024 4296 ALA 135 N -0.0058 -0.0069 0.0026 4297 ALA 135 CA -0.0058 -0.0079 0.0022 4298 ALA 135 C -0.0071 -0.0083 0.0026 4299 ALA 135 O -0.0074 -0.0092 0.0024 4300 ALA 135 CB -0.0054 -0.0079 0.0021 4301 GLY 136 N -0.0115 -0.0117 0.0014 4302 GLY 136 CA -0.0113 -0.0115 0.0007 4303 GLY 136 C -0.0096 -0.0106 0.0007 4304 GLY 136 O -0.0089 -0.0102 0.0011 4305 VAL 137 N -0.0090 -0.0103 0.0001 4306 VAL 137 CA -0.0076 -0.0095 -0.0001 4307 VAL 137 C -0.0066 -0.0090 0.0012 4308 VAL 137 O -0.0058 -0.0086 0.0017 4309 VAL 137 CB -0.0069 -0.0091 -0.0013 4310 VAL 137 CG1 -0.0052 -0.0082 -0.0012 4311 VAL 137 CG2 -0.0076 -0.0094 -0.0028 4312 ALA 138 N -0.0071 -0.0093 0.0025 4313 ALA 138 CA -0.0065 -0.0090 0.0042 4314 ALA 138 C -0.0065 -0.0090 0.0049 4315 ALA 138 O -0.0057 -0.0086 0.0056 4316 ALA 138 CB -0.0073 -0.0094 0.0054 4317 ASN 139 N -0.0099 -0.0142 0.0076 4318 ASN 139 CA -0.0100 -0.0142 0.0081 4319 ASN 139 C -0.0078 -0.0122 0.0056 4320 ASN 139 O -0.0064 -0.0104 0.0059 4321 ASN 139 CB -0.0115 -0.0163 0.0068 4322 ASN 139 CG -0.0132 -0.0179 0.0087 4323 ASN 139 OD1 -0.0119 -0.0167 0.0072 4324 ASN 139 ND2 -0.0138 -0.0175 0.0123 4325 ALA 140 N -0.0073 -0.0126 0.0023 4326 ALA 140 CA -0.0052 -0.0110 -0.0006 4327 ALA 140 C -0.0031 -0.0079 0.0008 4328 ALA 140 O -0.0015 -0.0063 0.0001 4329 ALA 140 CB -0.0051 -0.0118 -0.0036 4330 LEU 141 N -0.0029 -0.0072 0.0025 4331 LEU 141 CA -0.0010 -0.0045 0.0038 4332 LEU 141 C -0.0006 -0.0031 0.0067 4333 LEU 141 O 0.0011 -0.0006 0.0078 4334 LEU 141 CB -0.0011 -0.0043 0.0048 4335 LEU 141 CG -0.0004 -0.0043 0.0020 4336 LEU 141 CD1 -0.0001 -0.0033 0.0040 4337 LEU 141 CD2 0.0026 -0.0010 0.0009 4338 ALA 142 N -0.0010 -0.0007 0.0085 4339 ALA 142 CA -0.0009 0.0008 0.0121 4340 ALA 142 C -0.0001 0.0012 0.0110 4341 ALA 142 O 0.0005 0.0030 0.0140 4342 ALA 142 CB -0.0041 -0.0016 0.0155 4343 HIS 143 N 0.0000 -0.0001 0.0068 4344 HIS 143 CA 0.0004 -0.0004 0.0050 4345 HIS 143 C 0.0035 0.0035 0.0059 4346 HIS 143 O 0.0027 0.0030 0.0070 4347 HIS 143 CB -0.0005 -0.0029 0.0006 4348 HIS 143 CG -0.0003 -0.0032 -0.0010 4349 HIS 143 ND1 0.0018 -0.0021 -0.0042 4350 HIS 143 CD2 -0.0038 -0.0062 0.0017 4351 HIS 143 CE1 0.0003 -0.0035 -0.0035 4352 HIS 143 NE2 -0.0029 -0.0063 -0.0012 4353 LYS 144 N 0.0060 0.0060 0.0051 4354 LYS 144 CA 0.0094 0.0099 0.0051 4355 LYS 144 C 0.0098 0.0120 0.0095 4356 LYS 144 O 0.0127 0.0154 0.0101 4357 LYS 144 CB 0.0117 0.0112 0.0014 4358 LYS 144 CG 0.0110 0.0085 -0.0038 4359 LYS 144 CD 0.0121 0.0091 -0.0056 4360 LYS 144 CE 0.0123 0.0081 -0.0088 4361 LYS 144 NZ 0.0159 0.0106 -0.0132 4362 TYR 145 N 0.0058 0.0104 0.0112 4363 TYR 145 CA 0.0054 0.0107 0.0108 4364 TYR 145 C 0.0056 0.0113 0.0109 4365 TYR 145 O 0.0059 0.0118 0.0111 4366 TYR 145 CB 0.0048 0.0108 0.0103 4367 TYR 145 CG 0.0044 0.0101 0.0100 4368 TYR 145 CD1 0.0040 0.0098 0.0096 4369 TYR 145 CD2 0.0047 0.0096 0.0102 4370 TYR 145 CE1 0.0036 0.0092 0.0094 4371 TYR 145 CE2 0.0043 0.0089 0.0100 4372 TYR 145 CZ 0.0039 0.0087 0.0096 4373 TYR 145 OH 0.0035 0.0081 0.0093 4374 HIS 146 N 0.0055 0.0112 0.0109 4375 HIS 146 CA 0.0056 0.0119 0.0109 4376 HIS 146 C 0.0052 0.0117 0.0106 4377 HIS 146 O 0.0048 0.0113 0.0103 4378 HIS 146 CB 0.0063 0.0116 0.0115 4379 HIS 146 CG 0.0063 0.0109 0.0116 4380 HIS 146 ND1 0.0063 0.0107 0.0116 4381 HIS 146 CD2 0.0060 0.0102 0.0114 4382 HIS 146 CE1 0.0063 0.0103 0.0117 4383 HIS 146 NE2 0.0061 0.0096 0.0114 4384 HIS 146 OXT 0.0053 0.0123 0.0106