1 MET 1 N 0.0013 0.0113 0.0180 2 MET 1 CA -0.0021 0.0021 0.0181 3 MET 1 C 0.0040 -0.0030 0.0238 4 MET 1 CB -0.0087 0.0023 0.0134 5 MET 1 O 0.0038 -0.0113 0.0258 6 MET 1 CG -0.0160 0.0048 0.0076 7 MET 1 SD -0.0243 0.0031 0.0022 8 MET 1 CE -0.0316 0.0070 -0.0040 9 ALA 2 N 0.0032 0.0016 0.0169 10 ALA 2 CA 0.0011 0.0032 0.0143 11 ALA 2 C 0.0036 0.0012 0.0162 12 ALA 2 CB 0.0008 0.0029 0.0078 13 ALA 2 O 0.0016 0.0031 0.0174 14 GLU 3 N 0.0066 -0.0000 0.0182 15 GLU 3 CA 0.0111 -0.0059 0.0195 16 GLU 3 C 0.0090 -0.0071 0.0277 17 GLU 3 CB 0.0163 -0.0120 0.0190 18 GLU 3 O 0.0104 -0.0091 0.0283 19 GLU 3 CG 0.0194 -0.0119 0.0105 20 GLU 3 CD 0.0243 -0.0176 0.0101 21 GLU 3 OE1 0.0291 -0.0228 0.0089 22 GLU 3 OE2 0.0234 -0.0170 0.0111 23 ALA 4 N 0.0061 -0.0126 0.0295 24 ALA 4 CA 0.0049 -0.0121 0.0367 25 ALA 4 C 0.0022 -0.0053 0.0352 26 ALA 4 CB 0.0033 -0.0113 0.0449 27 ALA 4 O 0.0024 -0.0062 0.0369 28 LEU 5 N -0.0014 0.0026 0.0264 29 LEU 5 CA -0.0028 0.0051 0.0259 30 LEU 5 C -0.0036 0.0051 0.0237 31 LEU 5 CB -0.0037 0.0064 0.0252 32 LEU 5 O -0.0043 0.0067 0.0239 33 LEU 5 CG -0.0050 0.0092 0.0249 34 LEU 5 CD1 -0.0048 0.0107 0.0275 35 LEU 5 CD2 -0.0058 0.0101 0.0240 36 PHE 6 N -0.0014 0.0075 0.0185 37 PHE 6 CA 0.0001 0.0065 0.0155 38 PHE 6 C 0.0008 0.0037 0.0165 39 PHE 6 CB 0.0014 0.0054 0.0130 40 PHE 6 O 0.0012 0.0038 0.0153 41 PHE 6 CG 0.0029 0.0048 0.0096 42 PHE 6 CD1 0.0043 0.0015 0.0091 43 PHE 6 CD2 0.0030 0.0074 0.0070 44 PHE 6 CE1 0.0057 0.0009 0.0061 45 PHE 6 CE2 0.0044 0.0068 0.0039 46 PHE 6 CZ 0.0057 0.0035 0.0034 47 LYS 7 N 0.0022 0.0003 0.0179 48 LYS 7 CA 0.0046 -0.0083 0.0221 49 LYS 7 C 0.0014 -0.0000 0.0305 50 LYS 7 CB 0.0079 -0.0208 0.0313 51 LYS 7 O 0.0023 -0.0025 0.0292 52 LYS 7 CG 0.0122 -0.0324 0.0225 53 LYS 7 CD 0.0155 -0.0452 0.0320 54 LYS 7 CE 0.0197 -0.0567 0.0233 55 LYS 7 NZ 0.0231 -0.0694 0.0323 56 GLU 8 N -0.0021 -0.0005 0.0218 57 GLU 8 CA -0.0019 -0.0009 0.0214 58 GLU 8 C -0.0005 -0.0009 0.0207 59 GLU 8 CB -0.0022 -0.0002 0.0221 60 GLU 8 O -0.0002 -0.0017 0.0199 61 GLU 8 CG -0.0023 -0.0007 0.0218 62 GLU 8 CD -0.0029 -0.0001 0.0225 63 GLU 8 OE1 -0.0022 0.0008 0.0229 64 GLU 8 OE2 -0.0040 -0.0005 0.0228 65 ILE 9 N -0.0022 0.0011 0.0133 66 ILE 9 CA -0.0021 0.0039 0.0100 67 ILE 9 C -0.0018 0.0014 0.0065 68 ILE 9 CB -0.0021 0.0065 0.0084 69 ILE 9 O -0.0018 0.0027 0.0045 70 ILE 9 CG1 -0.0024 0.0089 0.0120 71 ILE 9 CG2 -0.0020 0.0093 0.0049 72 ILE 9 CD1 -0.0024 0.0111 0.0108 73 ASP 10 N -0.0013 0.0037 0.0070 74 ASP 10 CA -0.0002 0.0017 0.0051 75 ASP 10 C -0.0013 -0.0013 0.0045 76 ASP 10 CB -0.0007 0.0019 0.0056 77 ASP 10 O -0.0029 -0.0030 0.0050 78 ASP 10 CG 0.0006 0.0002 0.0037 79 ASP 10 OD1 0.0024 -0.0003 0.0019 80 ASP 10 OD2 -0.0003 -0.0006 0.0040 81 VAL 11 N 0.0011 -0.0012 0.0031 82 VAL 11 CA -0.0021 -0.0083 -0.0012 83 VAL 11 C -0.0020 -0.0128 -0.0049 84 VAL 11 CB 0.0028 -0.0104 -0.0049 85 VAL 11 O -0.0076 -0.0178 -0.0066 86 VAL 11 CG1 -0.0003 -0.0180 -0.0097 87 VAL 11 CG2 0.0023 -0.0062 -0.0013 88 ASN 12 N 0.0003 -0.0095 -0.0014 89 ASN 12 CA 0.0016 -0.0116 -0.0027 90 ASN 12 C -0.0005 -0.0096 -0.0013 91 ASN 12 CB 0.0071 -0.0116 -0.0035 92 ASN 12 O -0.0001 -0.0112 -0.0022 93 ASN 12 CG 0.0094 -0.0071 -0.0014 94 ASN 12 ND2 0.0140 -0.0068 -0.0020 95 ASN 12 OD1 0.0070 -0.0039 0.0006 96 GLY 13 N -0.0043 -0.0096 0.0005 97 GLY 13 CA -0.0070 -0.0042 0.0013 98 GLY 13 C -0.0017 -0.0008 0.0036 99 GLY 13 O -0.0028 0.0015 0.0039 100 ASP 14 N 0.0059 0.0070 0.0062 101 ASP 14 CA 0.0092 0.0087 0.0074 102 ASP 14 C 0.0092 0.0130 0.0082 103 ASP 14 CB 0.0129 0.0067 0.0078 104 ASP 14 O 0.0118 0.0150 0.0093 105 ASP 14 CG 0.0136 0.0073 0.0082 106 ASP 14 OD1 0.0110 0.0086 0.0078 107 ASP 14 OD2 0.0169 0.0066 0.0088 108 GLY 15 N 0.0071 0.0085 0.0057 109 GLY 15 CA 0.0071 0.0083 0.0065 110 GLY 15 C 0.0076 0.0122 0.0050 111 GLY 15 O 0.0076 0.0123 0.0050 112 ALA 16 N 0.0073 0.0153 0.0041 113 ALA 16 CA 0.0082 0.0148 0.0046 114 ALA 16 C 0.0080 0.0129 0.0040 115 ALA 16 CB 0.0097 0.0148 0.0058 116 ALA 16 O 0.0078 0.0118 0.0036 117 VAL 17 N 0.0054 0.0129 -0.0011 118 VAL 17 CA 0.0051 0.0124 -0.0010 119 VAL 17 C 0.0066 0.0125 -0.0014 120 VAL 17 CB 0.0038 0.0135 -0.0005 121 VAL 17 O 0.0073 0.0138 -0.0015 122 VAL 17 CG1 0.0035 0.0130 -0.0005 123 VAL 17 CG2 0.0023 0.0134 -0.0001 124 SER 18 N 0.0102 0.0144 -0.0033 125 SER 18 CA 0.0130 0.0123 -0.0019 126 SER 18 C 0.0137 0.0097 -0.0029 127 SER 18 CB 0.0137 0.0108 -0.0022 128 SER 18 O 0.0120 0.0092 -0.0050 129 SER 18 OG 0.0129 0.0132 -0.0014 130 TYR 19 N 0.0233 0.0078 -0.0134 131 TYR 19 CA 0.0195 0.0052 -0.0136 132 TYR 19 C 0.0159 0.0001 -0.0124 133 TYR 19 CB 0.0227 0.0038 -0.0116 134 TYR 19 O 0.0108 -0.0009 -0.0139 135 TYR 19 CG 0.0191 0.0008 -0.0116 136 TYR 19 CD1 0.0190 -0.0047 -0.0089 137 TYR 19 CD2 0.0157 0.0036 -0.0142 138 TYR 19 CE1 0.0156 -0.0074 -0.0089 139 TYR 19 CE2 0.0123 0.0008 -0.0142 140 TYR 19 OH 0.0089 -0.0073 -0.0115 141 TYR 19 CZ 0.0123 -0.0046 -0.0115 142 GLU 20 N 0.0351 0.0027 -0.0098 143 GLU 20 CA 0.0236 -0.0185 -0.0087 144 GLU 20 C -0.0012 -0.0183 -0.0048 145 GLU 20 CB 0.0356 -0.0392 -0.0112 146 GLU 20 O -0.0160 -0.0266 -0.0027 147 GLU 20 CG 0.0592 -0.0435 -0.0150 148 GLU 20 CD 0.0691 -0.0664 -0.0173 149 GLU 20 OE1 0.0712 -0.0819 -0.0182 150 GLU 20 OE2 0.0747 -0.0690 -0.0183 151 GLU 21 N 0.0098 -0.0041 -0.0036 152 GLU 21 CA 0.0058 -0.0034 -0.0042 153 GLU 21 C 0.0038 -0.0015 -0.0042 154 GLU 21 CB 0.0053 -0.0008 -0.0038 155 GLU 21 O 0.0006 -0.0025 -0.0050 156 GLU 21 CG 0.0064 -0.0028 -0.0040 157 GLU 21 CD 0.0057 -0.0003 -0.0037 158 GLU 21 OE1 0.0034 -0.0013 -0.0043 159 GLU 21 OE2 0.0075 0.0027 -0.0029 160 VAL 22 N 0.0076 0.0018 -0.0054 161 VAL 22 CA 0.0057 0.0021 -0.0068 162 VAL 22 C 0.0040 -0.0002 -0.0063 163 VAL 22 CB 0.0065 0.0034 -0.0073 164 VAL 22 O 0.0020 -0.0006 -0.0074 165 VAL 22 CG1 0.0044 0.0035 -0.0086 166 VAL 22 CG2 0.0078 0.0058 -0.0080 167 LYS 23 N 0.0073 -0.0030 -0.0100 168 LYS 23 CA 0.0050 -0.0062 -0.0087 169 LYS 23 C 0.0030 -0.0080 -0.0083 170 LYS 23 CB 0.0072 -0.0081 -0.0059 171 LYS 23 O -0.0001 -0.0095 -0.0089 172 LYS 23 CG 0.0050 -0.0113 -0.0046 173 LYS 23 CD 0.0073 -0.0130 -0.0018 174 LYS 23 CE 0.0051 -0.0162 -0.0004 175 LYS 23 NZ 0.0073 -0.0179 0.0023 176 ALA 24 N 0.0076 -0.0068 -0.0067 177 ALA 24 CA 0.0064 -0.0078 -0.0072 178 ALA 24 C 0.0049 -0.0071 -0.0074 179 ALA 24 CB 0.0064 -0.0081 -0.0073 180 ALA 24 O 0.0040 -0.0078 -0.0078 181 PHE 25 N 0.0025 -0.0042 -0.0068 182 PHE 25 CA 0.0009 -0.0037 -0.0032 183 PHE 25 C 0.0060 -0.0027 -0.0013 184 PHE 25 CB -0.0026 -0.0030 0.0019 185 PHE 25 O 0.0061 -0.0027 -0.0015 186 PHE 25 CG -0.0046 -0.0024 0.0057 187 PHE 25 CD1 -0.0017 -0.0011 0.0106 188 PHE 25 CD2 -0.0093 -0.0032 0.0045 189 PHE 25 CE1 -0.0036 -0.0006 0.0141 190 PHE 25 CE2 -0.0111 -0.0027 0.0080 191 PHE 25 CZ -0.0083 -0.0014 0.0129 192 VAL 26 N 0.0065 -0.0038 -0.0063 193 VAL 26 CA 0.0065 -0.0026 -0.0059 194 VAL 26 C 0.0065 -0.0028 -0.0060 195 VAL 26 CB 0.0074 -0.0017 -0.0064 196 VAL 26 O 0.0062 -0.0021 -0.0054 197 VAL 26 CG1 0.0075 -0.0005 -0.0061 198 VAL 26 CG2 0.0073 -0.0014 -0.0063 199 SER 27 N 0.0030 -0.0052 -0.0060 200 SER 27 CA 0.0021 -0.0065 -0.0051 201 SER 27 C 0.0055 -0.0036 -0.0108 202 SER 27 CB 0.0005 -0.0031 0.0024 203 SER 27 O 0.0053 -0.0069 -0.0135 204 SER 27 OG -0.0031 -0.0068 0.0078 205 LYS 28 N 0.0077 -0.0058 -0.0147 206 LYS 28 CA 0.0075 -0.0042 -0.0193 207 LYS 28 C 0.0075 -0.0062 -0.0233 208 LYS 28 CB 0.0073 0.0013 -0.0195 209 LYS 28 O 0.0074 -0.0075 -0.0271 210 LYS 28 CG 0.0071 0.0034 -0.0238 211 LYS 28 CD 0.0069 0.0088 -0.0235 212 LYS 28 CE 0.0067 0.0109 -0.0278 213 LYS 28 NZ 0.0065 0.0162 -0.0276 214 LYS 29 N 0.0086 -0.0067 -0.0148 215 LYS 29 CA 0.0098 -0.0066 -0.0125 216 LYS 29 C 0.0096 -0.0031 -0.0125 217 LYS 29 CB 0.0097 -0.0098 -0.0131 218 LYS 29 O 0.0106 -0.0025 -0.0105 219 LYS 29 CG 0.0102 -0.0135 -0.0125 220 LYS 29 CD 0.0122 -0.0142 -0.0089 221 LYS 29 CE 0.0127 -0.0180 -0.0083 222 LYS 29 NZ 0.0146 -0.0186 -0.0048 223 ARG 30 N -0.0013 0.0014 -0.0172 224 ARG 30 CA 0.0072 -0.0021 -0.0171 225 ARG 30 C 0.0107 -0.0022 -0.0086 226 ARG 30 CB 0.0099 -0.0043 -0.0242 227 ARG 30 O 0.0167 -0.0046 -0.0083 228 ARG 30 CG 0.0085 -0.0052 -0.0329 229 ARG 30 CD 0.0122 -0.0078 -0.0395 230 ARG 30 NE 0.0103 -0.0084 -0.0480 231 ARG 30 NH1 0.0221 -0.0141 -0.0532 232 ARG 30 NH2 0.0128 -0.0116 -0.0617 233 ARG 30 CZ 0.0151 -0.0113 -0.0543 234 ALA 31 N 0.0048 -0.0028 -0.0164 235 ALA 31 CA 0.0039 -0.0046 -0.0200 236 ALA 31 C -0.0004 -0.0032 -0.0241 237 ALA 31 CB 0.0072 -0.0094 -0.0218 238 ALA 31 O -0.0026 -0.0024 -0.0260 239 ILE 32 N -0.0049 0.0017 -0.0151 240 ILE 32 CA -0.0102 -0.0006 -0.0136 241 ILE 32 C -0.0139 0.0001 -0.0054 242 ILE 32 CB -0.0068 0.0007 -0.0150 243 ILE 32 O -0.0105 0.0035 0.0001 244 ILE 32 CG1 -0.0031 0.0001 -0.0233 245 ILE 32 CG2 -0.0124 -0.0016 -0.0133 246 ILE 32 CD1 0.0009 0.0017 -0.0250 247 LYS 33 N -0.0494 -0.0181 0.0088 248 LYS 33 CA -0.0679 -0.0141 0.0414 249 LYS 33 C -0.0931 -0.0238 0.0650 250 LYS 33 CB -0.0801 -0.0326 0.0341 251 LYS 33 O -0.1036 -0.0116 0.0969 252 LYS 33 CG -0.0569 -0.0201 0.0172 253 LYS 33 CD -0.0707 -0.0380 0.0129 254 LYS 33 CE -0.0475 -0.0260 -0.0047 255 LYS 33 NZ -0.0610 -0.0419 -0.0065 256 ASN 34 N -0.0851 -0.0074 0.0313 257 ASN 34 CA -0.0674 0.0024 0.0147 258 ASN 34 C -0.0414 -0.0064 0.0040 259 ASN 34 CB -0.0759 0.0310 0.0029 260 ASN 34 O -0.0369 0.0002 -0.0026 261 ASN 34 CG -0.0617 0.0419 -0.0122 262 ASN 34 ND2 -0.0749 0.0602 -0.0150 263 ASN 34 OD1 -0.0390 0.0339 -0.0214 264 GLU 35 N -0.0475 -0.0160 -0.0031 265 GLU 35 CA -0.0212 -0.0225 -0.0093 266 GLU 35 C -0.0053 0.0032 -0.0233 267 GLU 35 CB -0.0029 -0.0457 -0.0073 268 GLU 35 O 0.0079 0.0070 -0.0289 269 GLU 35 CG -0.0132 -0.0744 0.0059 270 GLU 35 CD 0.0068 -0.0977 0.0074 271 GLU 35 OE1 0.0238 -0.1111 0.0065 272 GLU 35 OE2 0.0056 -0.1025 0.0095 273 GLN 36 N -0.0099 0.0120 -0.0318 274 GLN 36 CA -0.0045 0.0226 -0.0454 275 GLN 36 C -0.0103 0.0198 -0.0302 276 GLN 36 CB -0.0012 0.0519 -0.0523 277 GLN 36 O -0.0067 0.0123 -0.0403 278 GLN 36 CG 0.0064 0.0559 -0.0722 279 GLN 36 CD 0.0098 0.0850 -0.0795 280 GLN 36 NE2 0.0177 0.0928 -0.1002 281 GLN 36 OE1 0.0054 0.1004 -0.0665 282 LEU 37 N -0.0197 0.0150 -0.0268 283 LEU 37 CA -0.0174 0.0133 -0.0285 284 LEU 37 C -0.0115 0.0095 -0.0279 285 LEU 37 CB -0.0191 0.0150 -0.0246 286 LEU 37 O -0.0089 0.0073 -0.0320 287 LEU 37 CG -0.0173 0.0135 -0.0263 288 LEU 37 CD1 -0.0194 0.0141 -0.0327 289 LEU 37 CD2 -0.0189 0.0152 -0.0216 290 LEU 38 N -0.0107 0.0042 -0.0219 291 LEU 38 CA -0.0063 0.0021 -0.0211 292 LEU 38 C -0.0023 0.0019 -0.0242 293 LEU 38 CB -0.0057 -0.0004 -0.0162 294 LEU 38 O 0.0009 0.0016 -0.0261 295 LEU 38 CG -0.0015 -0.0028 -0.0148 296 LEU 38 CD1 -0.0021 -0.0024 -0.0150 297 LEU 38 CD2 -0.0009 -0.0052 -0.0100 298 GLN 39 N -0.0013 0.0062 -0.0282 299 GLN 39 CA -0.0041 0.0037 -0.0318 300 GLN 39 C -0.0043 0.0031 -0.0258 301 GLN 39 CB -0.0011 0.0074 -0.0391 302 GLN 39 O -0.0086 -0.0012 -0.0254 303 GLN 39 CG -0.0045 0.0045 -0.0441 304 GLN 39 CD -0.0018 0.0079 -0.0519 305 GLN 39 NE2 -0.0049 0.0053 -0.0572 306 GLN 39 OE1 0.0030 0.0128 -0.0531 307 LEU 40 N -0.0072 0.0060 -0.0246 308 LEU 40 CA -0.0071 0.0039 -0.0230 309 LEU 40 C -0.0069 0.0011 -0.0209 310 LEU 40 CB -0.0049 0.0054 -0.0218 311 LEU 40 O -0.0083 -0.0015 -0.0205 312 LEU 40 CG -0.0052 0.0075 -0.0236 313 LEU 40 CD1 -0.0027 0.0092 -0.0222 314 LEU 40 CD2 -0.0074 0.0057 -0.0246 315 ILE 41 N -0.0042 -0.0017 -0.0216 316 ILE 41 CA -0.0044 -0.0022 -0.0210 317 ILE 41 C -0.0060 -0.0024 -0.0212 318 ILE 41 CB -0.0034 -0.0017 -0.0214 319 ILE 41 O -0.0066 -0.0032 -0.0205 320 ILE 41 CG1 -0.0018 -0.0016 -0.0211 321 ILE 41 CG2 -0.0037 -0.0022 -0.0209 322 ILE 41 CD1 -0.0007 -0.0010 -0.0216 323 PHE 42 N -0.0033 -0.0075 -0.0184 324 PHE 42 CA -0.0012 -0.0043 -0.0164 325 PHE 42 C -0.0014 -0.0043 -0.0156 326 PHE 42 CB -0.0015 -0.0031 -0.0123 327 PHE 42 O 0.0006 -0.0021 -0.0166 328 PHE 42 CG 0.0008 0.0004 -0.0101 329 PHE 42 CD1 0.0003 0.0009 -0.0072 330 PHE 42 CD2 0.0033 0.0031 -0.0111 331 PHE 42 CE1 0.0023 0.0041 -0.0052 332 PHE 42 CE2 0.0054 0.0063 -0.0091 333 PHE 42 CZ 0.0049 0.0068 -0.0062 334 LYS 43 N -0.0101 -0.0031 -0.0140 335 LYS 43 CA -0.0155 -0.0071 -0.0114 336 LYS 43 C -0.0141 -0.0135 -0.0070 337 LYS 43 CB -0.0159 -0.0067 -0.0117 338 LYS 43 O -0.0190 -0.0170 -0.0048 339 LYS 43 CG -0.0196 -0.0011 -0.0155 340 LYS 43 CD -0.0210 -0.0014 -0.0153 341 LYS 43 CE -0.0253 0.0038 -0.0189 342 LYS 43 NZ -0.0271 0.0033 -0.0186 343 SER 44 N -0.0122 -0.0086 -0.0117 344 SER 44 CA -0.0118 -0.0098 -0.0104 345 SER 44 C -0.0124 -0.0109 -0.0098 346 SER 44 CB -0.0101 -0.0094 -0.0095 347 SER 44 O -0.0129 -0.0122 -0.0091 348 SER 44 OG -0.0096 -0.0086 -0.0098 349 ILE 45 N -0.0089 -0.0053 -0.0078 350 ILE 45 CA -0.0056 -0.0025 -0.0093 351 ILE 45 C -0.0049 -0.0003 -0.0068 352 ILE 45 CB -0.0039 -0.0006 -0.0093 353 ILE 45 O -0.0029 0.0011 -0.0083 354 ILE 45 CG1 -0.0047 -0.0029 -0.0118 355 ILE 45 CG2 -0.0005 0.0022 -0.0108 356 ILE 45 CD1 -0.0034 -0.0014 -0.0115 357 ASP 46 N -0.0100 -0.0053 -0.0073 358 ASP 46 CA -0.0114 -0.0013 -0.0021 359 ASP 46 C -0.0136 -0.0047 -0.0000 360 ASP 46 CB -0.0136 0.0001 0.0031 361 ASP 46 O -0.0170 -0.0074 0.0045 362 ASP 46 CG -0.0147 0.0048 0.0084 363 ASP 46 OD1 -0.0128 0.0088 0.0075 364 ASP 46 OD2 -0.0175 0.0045 0.0135 365 ALA 47 N -0.0163 -0.0017 -0.0019 366 ALA 47 CA -0.0184 -0.0065 0.0025 367 ALA 47 C -0.0236 -0.0035 0.0091 368 ALA 47 CB -0.0164 -0.0069 -0.0004 369 ALA 47 O -0.0261 -0.0081 0.0140 370 ASP 48 N -0.0188 -0.0002 0.0132 371 ASP 48 CA -0.0181 0.0047 0.0227 372 ASP 48 C -0.0220 0.0019 0.0333 373 ASP 48 CB -0.0119 0.0158 0.0224 374 ASP 48 O -0.0224 0.0046 0.0421 375 ASP 48 CG -0.0099 0.0199 0.0236 376 ASP 48 OD1 -0.0132 0.0142 0.0242 377 ASP 48 OD2 -0.0049 0.0290 0.0239 378 GLY 49 N -0.0268 0.0061 0.0180 379 GLY 49 CA -0.0335 -0.0045 0.0371 380 GLY 49 C -0.0234 0.0035 0.0554 381 GLY 49 O -0.0246 -0.0008 0.0735 382 ASN 50 N -0.0167 0.0086 0.0448 383 ASN 50 CA -0.0159 0.0180 0.0509 384 ASN 50 C -0.0154 0.0191 0.0504 385 ASN 50 CB -0.0114 0.0276 0.0474 386 ASN 50 O -0.0146 0.0266 0.0550 387 ASN 50 CG -0.0068 0.0297 0.0369 388 ASN 50 ND2 -0.0027 0.0390 0.0341 389 ASN 50 OD1 -0.0068 0.0232 0.0312 390 GLY 51 N -0.0092 0.0092 0.0275 391 GLY 51 CA -0.0068 0.0099 0.0217 392 GLY 51 C -0.0057 0.0147 0.0144 393 GLY 51 O -0.0040 0.0162 0.0091 394 GLU 52 N -0.0034 0.0177 0.0109 395 GLU 52 CA -0.0031 0.0189 0.0090 396 GLU 52 C -0.0030 0.0192 0.0071 397 GLU 52 CB -0.0025 0.0212 0.0097 398 GLU 52 O -0.0029 0.0194 0.0076 399 GLU 52 CG -0.0026 0.0211 0.0116 400 GLU 52 CD -0.0021 0.0234 0.0124 401 GLU 52 OE1 -0.0018 0.0243 0.0115 402 GLU 52 OE2 -0.0018 0.0243 0.0140 403 ILE 53 N 0.0026 0.0153 0.0001 404 ILE 53 CA 0.0032 0.0150 -0.0021 405 ILE 53 C 0.0038 0.0180 -0.0030 406 ILE 53 CB 0.0037 0.0131 -0.0046 407 ILE 53 O 0.0043 0.0196 -0.0042 408 ILE 53 CG1 0.0031 0.0101 -0.0036 409 ILE 53 CG2 0.0044 0.0130 -0.0069 410 ILE 53 CD1 0.0036 0.0083 -0.0059 411 ASP 54 N 0.0065 0.0154 0.0012 412 ASP 54 CA 0.0073 0.0171 0.0006 413 ASP 54 C 0.0062 0.0178 -0.0015 414 ASP 54 CB 0.0089 0.0187 0.0010 415 ASP 54 O 0.0049 0.0171 -0.0025 416 ASP 54 CG 0.0087 0.0191 0.0004 417 ASP 54 OD1 0.0089 0.0182 0.0014 418 ASP 54 OD2 0.0083 0.0202 -0.0013 419 GLN 55 N 0.0064 0.0093 -0.0030 420 GLN 55 CA 0.0067 0.0084 0.0015 421 GLN 55 C 0.0053 0.0111 -0.0018 422 GLN 55 CB 0.0106 0.0017 0.0032 423 GLN 55 O 0.0034 0.0138 0.0018 424 GLN 55 CG 0.0119 -0.0010 0.0081 425 GLN 55 CD 0.0156 -0.0076 0.0101 426 GLN 55 NE2 0.0168 -0.0101 0.0150 427 GLN 55 OE1 0.0175 -0.0103 0.0071 428 ASN 56 N 0.0006 0.0153 -0.0019 429 ASN 56 CA 0.0016 0.0185 0.0013 430 ASN 56 C 0.0049 0.0139 0.0013 431 ASN 56 CB 0.0044 0.0227 0.0070 432 ASN 56 O 0.0036 0.0147 0.0006 433 ASN 56 CG 0.0048 0.0268 0.0103 434 ASN 56 ND2 0.0097 0.0257 0.0145 435 ASN 56 OD1 0.0007 0.0308 0.0091 436 GLU 57 N 0.0080 0.0117 -0.0053 437 GLU 57 CA 0.0059 0.0107 -0.0053 438 GLU 57 C 0.0065 0.0108 -0.0056 439 GLU 57 CB 0.0040 0.0112 -0.0032 440 GLU 57 O 0.0056 0.0095 -0.0067 441 GLU 57 CG 0.0030 0.0108 -0.0030 442 GLU 57 CD 0.0014 0.0116 -0.0007 443 GLU 57 OE1 -0.0005 0.0108 -0.0006 444 GLU 57 OE2 0.0021 0.0130 0.0009 445 PHE 58 N -0.0016 0.0081 -0.0057 446 PHE 58 CA -0.0022 0.0088 -0.0027 447 PHE 58 C -0.0019 0.0085 -0.0025 448 PHE 58 CB -0.0011 0.0075 -0.0003 449 PHE 58 O -0.0032 0.0099 -0.0013 450 PHE 58 CG -0.0019 0.0084 0.0028 451 PHE 58 CD1 -0.0010 0.0074 0.0046 452 PHE 58 CD2 -0.0035 0.0101 0.0039 453 PHE 58 CE1 -0.0017 0.0082 0.0074 454 PHE 58 CE2 -0.0043 0.0109 0.0067 455 PHE 58 CZ -0.0034 0.0100 0.0085 456 ALA 59 N -0.0015 0.0100 0.0002 457 ALA 59 CA -0.0008 0.0099 -0.0016 458 ALA 59 C -0.0016 0.0082 -0.0024 459 ALA 59 CB 0.0000 0.0112 -0.0018 460 ALA 59 O -0.0014 0.0076 -0.0039 461 LYS 60 N -0.0091 0.0115 -0.0055 462 LYS 60 CA -0.0047 0.0100 -0.0010 463 LYS 60 C -0.0047 -0.0061 -0.0080 464 LYS 60 CB 0.0074 0.0116 0.0138 465 LYS 60 O -0.0079 -0.0066 -0.0121 466 LYS 60 CG 0.0077 0.0288 0.0217 467 LYS 60 CD 0.0198 0.0299 0.0363 468 LYS 60 CE 0.0202 0.0470 0.0443 469 LYS 60 NZ 0.0318 0.0483 0.0585 470 PHE 61 N -0.0092 -0.0013 -0.0051 471 PHE 61 CA -0.0088 -0.0013 -0.0053 472 PHE 61 C -0.0087 -0.0013 -0.0054 473 PHE 61 CB -0.0089 -0.0011 -0.0056 474 PHE 61 O -0.0083 -0.0013 -0.0053 475 PHE 61 CG -0.0085 -0.0011 -0.0059 476 PHE 61 CD1 -0.0085 -0.0010 -0.0062 477 PHE 61 CD2 -0.0081 -0.0012 -0.0058 478 PHE 61 CE1 -0.0081 -0.0009 -0.0065 479 PHE 61 CE2 -0.0078 -0.0011 -0.0060 480 PHE 61 CZ -0.0077 -0.0010 -0.0064 481 TYR 62 N -0.0103 0.0024 -0.0016 482 TYR 62 CA -0.0085 0.0023 0.0013 483 TYR 62 C -0.0079 0.0012 0.0004 484 TYR 62 CB -0.0058 0.0006 0.0029 485 TYR 62 O -0.0078 0.0022 0.0023 486 TYR 62 CG -0.0041 0.0009 0.0062 487 TYR 62 CD1 -0.0019 -0.0011 0.0065 488 TYR 62 CD2 -0.0046 0.0030 0.0090 489 TYR 62 CE1 -0.0003 -0.0009 0.0096 490 TYR 62 CE2 -0.0030 0.0033 0.0121 491 TYR 62 OH 0.0007 0.0015 0.0154 492 TYR 62 CZ -0.0009 0.0013 0.0123 493 GLY 63 N -0.0062 -0.0012 0.0003 494 GLY 63 CA -0.0036 -0.0058 0.0026 495 GLY 63 C 0.0003 -0.0086 0.0034 496 GLY 63 O 0.0046 -0.0110 0.0039 497 SER 64 N -0.0005 -0.0112 0.0003 498 SER 64 CA -0.0013 -0.0127 0.0000 499 SER 64 C 0.0009 -0.0106 0.0003 500 SER 64 CB -0.0056 -0.0126 0.0005 501 SER 64 O 0.0017 -0.0121 -0.0002 502 SER 64 OG -0.0077 -0.0148 0.0002 503 ILE 65 N 0.0014 -0.0142 0.0017 504 ILE 65 CA 0.0036 -0.0107 0.0031 505 ILE 65 C 0.0068 -0.0118 0.0056 506 ILE 65 CB 0.0023 -0.0072 0.0017 507 ILE 65 O 0.0090 -0.0093 0.0071 508 ILE 65 CG1 0.0015 -0.0085 0.0012 509 ILE 65 CG2 -0.0007 -0.0058 -0.0007 510 ILE 65 CD1 0.0008 -0.0050 0.0004 511 GLN 66 N 0.0096 -0.0100 0.0106 512 GLN 66 CA 0.0096 -0.0097 0.0100 513 GLN 66 C 0.0149 -0.0114 0.0114 514 GLN 66 CB 0.0048 -0.0105 0.0129 515 GLN 66 O 0.0165 -0.0139 0.0153 516 GLN 66 CG 0.0035 -0.0094 0.0113 517 GLN 66 CD -0.0009 -0.0105 0.0145 518 GLN 66 NE2 0.0001 -0.0115 0.0159 519 GLN 66 OE1 -0.0051 -0.0105 0.0157 520 GLY 67 N 0.0208 -0.0105 0.0073 521 GLY 67 CA 0.0285 -0.0184 0.0005 522 GLY 67 C 0.0248 -0.0168 0.0031 523 GLY 67 O 0.0309 -0.0223 -0.0020 524 GLN 68 N 0.0172 -0.0216 0.0060 525 GLN 68 CA 0.0169 -0.0184 0.0060 526 GLN 68 C 0.0170 -0.0190 0.0081 527 GLN 68 CB 0.0168 -0.0172 0.0021 528 GLN 68 O 0.0172 -0.0221 0.0084 529 GLN 68 CG 0.0167 -0.0164 -0.0002 530 GLN 68 CD 0.0165 -0.0128 0.0007 531 GLN 68 NE2 0.0165 -0.0129 0.0021 532 GLN 68 OE1 0.0162 -0.0099 0.0001 533 ASP 69 N 0.0181 -0.0322 0.0094 534 ASP 69 CA 0.0177 -0.0332 0.0174 535 ASP 69 C 0.0181 -0.0327 0.0095 536 ASP 69 CB 0.0157 -0.0226 0.0273 537 ASP 69 O 0.0171 -0.0230 0.0036 538 ASP 69 CG 0.0154 -0.0253 0.0383 539 ASP 69 OD1 0.0146 -0.0198 0.0387 540 ASP 69 OD2 0.0159 -0.0330 0.0466 541 LEU 70 N 0.0179 -0.0371 0.0046 542 LEU 70 CA 0.0163 -0.0354 0.0009 543 LEU 70 C 0.0185 -0.0320 -0.0002 544 LEU 70 CB 0.0133 -0.0374 -0.0003 545 LEU 70 O 0.0177 -0.0300 -0.0032 546 LEU 70 CG 0.0106 -0.0407 0.0000 547 LEU 70 CD1 0.0085 -0.0430 0.0001 548 LEU 70 CD2 0.0087 -0.0400 -0.0029 549 SER 71 N 0.0216 -0.0321 0.0069 550 SER 71 CA 0.0219 -0.0258 0.0113 551 SER 71 C 0.0221 -0.0139 0.0085 552 SER 71 CB 0.0221 -0.0272 0.0235 553 SER 71 O 0.0223 -0.0075 0.0104 554 SER 71 OG 0.0219 -0.0382 0.0262 555 ASP 72 N 0.0147 -0.0127 0.0040 556 ASP 72 CA 0.0139 -0.0041 0.0018 557 ASP 72 C 0.0118 0.0001 -0.0059 558 ASP 72 CB 0.0134 -0.0052 -0.0001 559 ASP 72 O 0.0104 -0.0046 -0.0121 560 ASP 72 CG 0.0135 0.0035 0.0010 561 ASP 72 OD1 0.0117 0.0085 -0.0054 562 ASP 72 OD2 0.0153 0.0053 0.0082 563 ASP 73 N 0.0067 -0.0004 -0.0160 564 ASP 73 CA 0.0072 -0.0013 -0.0152 565 ASP 73 C 0.0080 -0.0006 -0.0156 566 ASP 73 CB 0.0059 -0.0022 -0.0147 567 ASP 73 O 0.0089 -0.0010 -0.0151 568 ASP 73 CG 0.0062 -0.0028 -0.0141 569 ASP 73 OD1 0.0058 -0.0024 -0.0145 570 ASP 73 OD2 0.0069 -0.0037 -0.0132 571 LYS 74 N 0.0103 0.0097 -0.0152 572 LYS 74 CA 0.0093 0.0098 -0.0180 573 LYS 74 C 0.0112 0.0082 -0.0200 574 LYS 74 CB 0.0075 0.0107 -0.0191 575 LYS 74 O 0.0107 0.0080 -0.0226 576 LYS 74 CG 0.0054 0.0124 -0.0175 577 LYS 74 CD 0.0037 0.0133 -0.0187 578 LYS 74 CE 0.0015 0.0150 -0.0171 579 LYS 74 NZ -0.0001 0.0158 -0.0183 580 ILE 75 N 0.0088 0.0000 -0.0156 581 ILE 75 CA 0.0080 -0.0046 -0.0166 582 ILE 75 C 0.0069 -0.0048 -0.0215 583 ILE 75 CB 0.0079 -0.0082 -0.0153 584 ILE 75 O 0.0063 -0.0070 -0.0227 585 ILE 75 CG1 0.0071 -0.0130 -0.0159 586 ILE 75 CG2 0.0073 -0.0074 -0.0180 587 ILE 75 CD1 0.0076 -0.0140 -0.0132 588 GLY 76 N 0.0020 -0.0003 -0.0243 589 GLY 76 CA 0.0009 -0.0003 -0.0260 590 GLY 76 C 0.0029 -0.0002 -0.0231 591 GLY 76 O 0.0008 -0.0014 -0.0221 592 LEU 77 N 0.0078 0.0083 -0.0140 593 LEU 77 CA 0.0081 0.0085 -0.0137 594 LEU 77 C 0.0080 0.0064 -0.0121 595 LEU 77 CB 0.0098 0.0107 -0.0129 596 LEU 77 O 0.0074 0.0056 -0.0124 597 LEU 77 CG 0.0099 0.0130 -0.0145 598 LEU 77 CD1 0.0117 0.0149 -0.0134 599 LEU 77 CD2 0.0089 0.0134 -0.0163 600 LYS 78 N 0.0082 0.0051 -0.0132 601 LYS 78 CA 0.0070 0.0031 -0.0095 602 LYS 78 C 0.0036 0.0009 -0.0101 603 LYS 78 CB 0.0067 0.0024 -0.0076 604 LYS 78 O 0.0031 -0.0002 -0.0078 605 LYS 78 CG 0.0100 0.0042 -0.0059 606 LYS 78 CD 0.0095 0.0033 -0.0038 607 LYS 78 CE 0.0128 0.0051 -0.0020 608 LYS 78 NZ 0.0123 0.0041 0.0003 609 VAL 79 N 0.0014 -0.0016 -0.0102 610 VAL 79 CA -0.0009 -0.0031 -0.0108 611 VAL 79 C -0.0013 -0.0029 -0.0115 612 VAL 79 CB -0.0023 -0.0030 -0.0129 613 VAL 79 O -0.0024 -0.0043 -0.0107 614 VAL 79 CG1 -0.0047 -0.0043 -0.0138 615 VAL 79 CG2 -0.0023 -0.0034 -0.0120 616 LEU 80 N -0.0022 -0.0025 -0.0148 617 LEU 80 CA -0.0020 -0.0020 -0.0156 618 LEU 80 C -0.0010 -0.0025 -0.0127 619 LEU 80 CB -0.0001 0.0002 -0.0178 620 LEU 80 O -0.0021 -0.0035 -0.0123 621 LEU 80 CG -0.0013 0.0008 -0.0212 622 LEU 80 CD1 0.0009 0.0031 -0.0231 623 LEU 80 CD2 -0.0037 -0.0003 -0.0226 624 TYR 81 N 0.0038 0.0054 -0.0092 625 TYR 81 CA 0.0045 0.0068 -0.0068 626 TYR 81 C 0.0030 0.0042 -0.0055 627 TYR 81 CB 0.0053 0.0085 -0.0035 628 TYR 81 O 0.0033 0.0046 -0.0056 629 TYR 81 CG 0.0062 0.0101 -0.0010 630 TYR 81 CD1 0.0052 0.0086 0.0020 631 TYR 81 CD2 0.0079 0.0132 -0.0017 632 TYR 81 CE1 0.0060 0.0101 0.0043 633 TYR 81 CE2 0.0087 0.0147 0.0006 634 TYR 81 OH 0.0085 0.0147 0.0059 635 TYR 81 CZ 0.0077 0.0132 0.0036 636 LYS 82 N -0.0018 0.0005 -0.0048 637 LYS 82 CA -0.0038 -0.0035 -0.0030 638 LYS 82 C -0.0082 -0.0050 -0.0049 639 LYS 82 CB -0.0033 -0.0040 -0.0022 640 LYS 82 O -0.0099 -0.0083 -0.0034 641 LYS 82 CG 0.0005 -0.0048 0.0010 642 LYS 82 CD -0.0004 -0.0081 0.0030 643 LYS 82 CE 0.0034 -0.0086 0.0061 644 LYS 82 NZ 0.0026 -0.0126 0.0087 645 LEU 83 N -0.0071 -0.0047 -0.0073 646 LEU 83 CA -0.0083 -0.0046 -0.0072 647 LEU 83 C -0.0074 -0.0049 -0.0058 648 LEU 83 CB -0.0086 -0.0043 -0.0092 649 LEU 83 O -0.0084 -0.0051 -0.0047 650 LEU 83 CG -0.0101 -0.0040 -0.0106 651 LEU 83 CD1 -0.0101 -0.0036 -0.0127 652 LEU 83 CD2 -0.0122 -0.0040 -0.0097 653 MET 84 N -0.0024 -0.0008 0.0013 654 MET 84 CA -0.0008 -0.0002 0.0022 655 MET 84 C -0.0011 0.0006 0.0042 656 MET 84 CB 0.0010 -0.0002 0.0015 657 MET 84 O -0.0003 0.0012 0.0052 658 MET 84 CG 0.0017 -0.0008 -0.0005 659 MET 84 SD 0.0040 -0.0007 -0.0011 660 MET 84 CE 0.0035 -0.0009 -0.0014 661 ASP 85 N -0.0014 0.0040 -0.0002 662 ASP 85 CA -0.0018 0.0046 0.0024 663 ASP 85 C -0.0043 0.0053 0.0039 664 ASP 85 CB -0.0021 0.0046 0.0020 665 ASP 85 O -0.0066 0.0055 0.0038 666 ASP 85 CG -0.0020 0.0052 0.0047 667 ASP 85 OD1 -0.0009 0.0055 0.0068 668 ASP 85 OD2 -0.0031 0.0053 0.0046 669 VAL 86 N -0.0039 0.0062 0.0056 670 VAL 86 CA -0.0101 0.0107 0.0105 671 VAL 86 C -0.0139 0.0140 0.0154 672 VAL 86 CB -0.0067 0.0108 0.0169 673 VAL 86 O -0.0213 0.0178 0.0159 674 VAL 86 CG1 -0.0132 0.0155 0.0224 675 VAL 86 CG2 -0.0033 0.0077 0.0120 676 ASP 87 N -0.0103 0.0126 0.0151 677 ASP 87 CA -0.0119 0.0145 0.0173 678 ASP 87 C -0.0141 0.0146 0.0144 679 ASP 87 CB -0.0088 0.0140 0.0204 680 ASP 87 O -0.0159 0.0163 0.0156 681 ASP 87 CG -0.0061 0.0114 0.0185 682 ASP 87 OD1 -0.0066 0.0101 0.0147 683 ASP 87 OD2 -0.0034 0.0107 0.0207 684 GLY 88 N -0.0097 0.0117 0.0103 685 GLY 88 CA -0.0098 0.0121 0.0082 686 GLY 88 C -0.0072 0.0110 0.0091 687 GLY 88 O -0.0077 0.0112 0.0087 688 ASP 89 N -0.0034 0.0083 0.0087 689 ASP 89 CA -0.0010 0.0077 0.0103 690 ASP 89 C 0.0014 0.0084 0.0086 691 ASP 89 CB 0.0001 0.0070 0.0121 692 ASP 89 O 0.0035 0.0081 0.0096 693 ASP 89 CG 0.0015 0.0076 0.0107 694 ASP 89 OD1 0.0011 0.0086 0.0082 695 ASP 89 OD2 0.0030 0.0072 0.0119 696 GLY 90 N 0.0012 0.0085 0.0078 697 GLY 90 CA 0.0032 0.0091 0.0062 698 GLY 90 C 0.0063 0.0099 0.0055 699 GLY 90 O 0.0084 0.0105 0.0044 700 LYS 91 N 0.0086 0.0088 0.0051 701 LYS 91 CA 0.0075 0.0086 0.0053 702 LYS 91 C 0.0064 0.0088 0.0057 703 LYS 91 CB 0.0073 0.0075 0.0046 704 LYS 91 O 0.0063 0.0085 0.0055 705 LYS 91 CG 0.0083 0.0072 0.0041 706 LYS 91 CD 0.0081 0.0060 0.0035 707 LYS 91 CE 0.0091 0.0057 0.0030 708 LYS 91 NZ 0.0089 0.0045 0.0023 709 LEU 92 N 0.0059 0.0096 0.0066 710 LEU 92 CA 0.0057 0.0096 0.0050 711 LEU 92 C 0.0063 0.0106 0.0048 712 LEU 92 CB 0.0058 0.0100 0.0039 713 LEU 92 O 0.0071 0.0117 0.0051 714 LEU 92 CG 0.0052 0.0090 0.0038 715 LEU 92 CD1 0.0055 0.0096 0.0027 716 LEU 92 CD2 0.0043 0.0077 0.0032 717 THR 93 N 0.0043 0.0097 0.0091 718 THR 93 CA 0.0011 0.0093 0.0067 719 THR 93 C -0.0011 0.0102 0.0082 720 THR 93 CB 0.0023 0.0078 0.0029 721 THR 93 O 0.0004 0.0108 0.0105 722 THR 93 CG2 0.0046 0.0069 0.0013 723 THR 93 OG1 0.0045 0.0075 0.0031 724 LYS 94 N -0.0139 0.0141 0.0099 725 LYS 94 CA -0.0159 0.0160 0.0074 726 LYS 94 C -0.0098 0.0110 0.0016 727 LYS 94 CB -0.0228 0.0222 0.0017 728 LYS 94 O -0.0084 0.0097 0.0030 729 LYS 94 CG -0.0258 0.0250 -0.0002 730 LYS 94 CD -0.0326 0.0312 -0.0058 731 LYS 94 CE -0.0354 0.0338 -0.0082 732 LYS 94 NZ -0.0420 0.0398 -0.0141 733 GLU 95 N -0.0293 0.0213 0.0059 734 GLU 95 CA -0.0144 0.0073 -0.0113 735 GLU 95 C 0.0139 0.0012 0.0122 736 GLU 95 CB -0.0033 -0.0103 -0.0435 737 GLU 95 O 0.0177 -0.0005 0.0131 738 GLU 95 CG -0.0308 -0.0063 -0.0714 739 GLU 95 CD -0.0195 -0.0238 -0.1032 740 GLU 95 OE1 -0.0158 -0.0342 -0.1263 741 GLU 95 OE2 -0.0142 -0.0272 -0.1051 742 GLU 96 N 0.0063 0.0006 0.0120 743 GLU 96 CA 0.0076 0.0002 0.0132 744 GLU 96 C 0.0076 -0.0021 0.0157 745 GLU 96 CB 0.0060 0.0006 0.0119 746 GLU 96 O 0.0097 -0.0025 0.0172 747 GLU 96 CG 0.0065 0.0029 0.0096 748 GLU 96 CD 0.0049 0.0033 0.0084 749 GLU 96 OE1 0.0063 0.0045 0.0078 750 GLU 96 OE2 0.0024 0.0023 0.0082 751 VAL 97 N 0.0036 0.0007 0.0179 752 VAL 97 CA 0.0033 0.0005 0.0187 753 VAL 97 C 0.0039 0.0005 0.0175 754 VAL 97 CB 0.0019 0.0016 0.0196 755 VAL 97 O 0.0045 -0.0004 0.0178 756 VAL 97 CG1 0.0017 0.0015 0.0204 757 VAL 97 CG2 0.0014 0.0016 0.0209 758 THR 98 N 0.0051 -0.0011 0.0201 759 THR 98 CA 0.0030 -0.0005 0.0164 760 THR 98 C 0.0053 -0.0042 0.0145 761 THR 98 CB 0.0004 0.0004 0.0121 762 THR 98 O 0.0048 -0.0039 0.0139 763 THR 98 CG2 -0.0018 0.0012 0.0083 764 THR 98 OG1 -0.0018 0.0039 0.0139 765 SER 99 N -0.0014 -0.0044 0.0168 766 SER 99 CA -0.0036 -0.0086 0.0149 767 SER 99 C -0.0059 -0.0131 0.0125 768 SER 99 CB -0.0064 -0.0093 0.0195 769 SER 99 O -0.0062 -0.0161 0.0084 770 SER 99 OG -0.0077 -0.0124 0.0174 771 PHE 100 N 0.0006 -0.0186 0.0199 772 PHE 100 CA -0.0012 -0.0167 0.0157 773 PHE 100 C -0.0007 -0.0142 0.0109 774 PHE 100 CB 0.0021 -0.0162 0.0157 775 PHE 100 O -0.0045 -0.0131 0.0077 776 PHE 100 CG -0.0001 -0.0146 0.0120 777 PHE 100 CD1 0.0019 -0.0119 0.0074 778 PHE 100 CD2 -0.0041 -0.0159 0.0132 779 PHE 100 CE1 -0.0001 -0.0105 0.0040 780 PHE 100 CE2 -0.0061 -0.0145 0.0098 781 PHE 100 CZ -0.0042 -0.0118 0.0052 782 PHE 101 N -0.0022 -0.0124 0.0097 783 PHE 101 CA -0.0008 -0.0105 0.0051 784 PHE 101 C -0.0020 -0.0110 0.0020 785 PHE 101 CB 0.0035 -0.0072 0.0057 786 PHE 101 O -0.0027 -0.0108 -0.0023 787 PHE 101 CG 0.0049 -0.0063 0.0071 788 PHE 101 CD1 0.0055 -0.0052 0.0037 789 PHE 101 CD2 0.0056 -0.0065 0.0118 790 PHE 101 CE1 0.0068 -0.0043 0.0049 791 PHE 101 CE2 0.0070 -0.0056 0.0131 792 PHE 101 CZ 0.0075 -0.0046 0.0096 793 LYS 102 N -0.0044 -0.0079 0.0061 794 LYS 102 CA -0.0080 -0.0103 -0.0034 795 LYS 102 C -0.0104 -0.0189 -0.0064 796 LYS 102 CB -0.0087 -0.0124 -0.0043 797 LYS 102 O -0.0130 -0.0188 -0.0142 798 LYS 102 CG -0.0120 -0.0124 -0.0143 799 LYS 102 CD -0.0123 -0.0133 -0.0147 800 LYS 102 CE -0.0158 -0.0135 -0.0247 801 LYS 102 NZ -0.0161 -0.0145 -0.0252 802 LYS 103 N -0.0228 -0.0187 -0.0130 803 LYS 103 CA -0.0347 -0.0337 -0.0184 804 LYS 103 C -0.0361 -0.0326 -0.0305 805 LYS 103 CB -0.0398 -0.0451 -0.0012 806 LYS 103 O -0.0442 -0.0404 -0.0435 807 LYS 103 CG -0.0524 -0.0614 -0.0055 808 LYS 103 CD -0.0572 -0.0725 0.0121 809 LYS 103 CE -0.0699 -0.0889 0.0078 810 LYS 103 NZ -0.0747 -0.0999 0.0250 811 HIS 104 N -0.0254 -0.0160 -0.0114 812 HIS 104 CA -0.0252 -0.0117 -0.0145 813 HIS 104 C -0.0250 -0.0065 -0.0183 814 HIS 104 CB -0.0200 -0.0105 -0.0118 815 HIS 104 O -0.0251 -0.0025 -0.0213 816 HIS 104 CG -0.0205 -0.0149 -0.0088 817 HIS 104 CD2 -0.0222 -0.0155 -0.0096 818 HIS 104 ND1 -0.0191 -0.0194 -0.0044 819 HIS 104 CE1 -0.0199 -0.0225 -0.0026 820 HIS 104 NE2 -0.0218 -0.0203 -0.0056 821 GLY 105 N -0.0210 -0.0120 -0.0119 822 GLY 105 CA -0.0237 -0.0104 -0.0116 823 GLY 105 C -0.0209 -0.0085 -0.0122 824 GLY 105 O -0.0224 -0.0054 -0.0123 825 ILE 106 N -0.0110 -0.0052 -0.0042 826 ILE 106 CA -0.0032 -0.0034 -0.0082 827 ILE 106 C 0.0043 -0.0057 -0.0028 828 ILE 106 CB -0.0030 -0.0021 -0.0113 829 ILE 106 O 0.0066 -0.0077 0.0018 830 ILE 106 CG1 -0.0110 -0.0001 -0.0160 831 ILE 106 CG2 0.0050 0.0000 -0.0161 832 ILE 106 CD1 -0.0121 0.0008 -0.0180 833 GLU 107 N 0.0168 -0.0058 0.0014 834 GLU 107 CA 0.0201 -0.0158 0.0040 835 GLU 107 C 0.0318 -0.0111 0.0023 836 GLU 107 CB 0.0072 -0.0190 0.0052 837 GLU 107 O 0.0401 -0.0192 0.0043 838 GLU 107 CG -0.0041 -0.0264 0.0075 839 GLU 107 CD -0.0169 -0.0292 0.0087 840 GLU 107 OE1 -0.0176 -0.0400 0.0116 841 GLU 107 OE2 -0.0264 -0.0206 0.0066 842 LYS 108 N 0.0564 -0.0127 -0.0085 843 LYS 108 CA 0.0266 -0.0197 0.0027 844 LYS 108 C 0.0262 -0.0188 -0.0100 845 LYS 108 CB 0.0245 -0.0231 0.0415 846 LYS 108 O -0.0000 -0.0235 -0.0197 847 LYS 108 CG 0.0108 -0.0269 0.0556 848 LYS 108 CD 0.0031 -0.0314 0.0933 849 LYS 108 CE -0.0103 -0.0352 0.1075 850 LYS 108 NZ -0.0168 -0.0393 0.1447 851 VAL 109 N 0.0155 -0.0092 0.0020 852 VAL 109 CA 0.0155 -0.0093 0.0028 853 VAL 109 C 0.0164 -0.0099 0.0071 854 VAL 109 CB 0.0115 -0.0096 0.0016 855 VAL 109 O 0.0183 -0.0099 0.0081 856 VAL 109 CG1 0.0115 -0.0098 0.0027 857 VAL 109 CG2 0.0107 -0.0090 -0.0027 858 ALA 110 N 0.0110 -0.0081 0.0104 859 ALA 110 CA 0.0103 -0.0035 0.0123 860 ALA 110 C 0.0103 0.0009 0.0135 861 ALA 110 CB 0.0133 -0.0020 0.0100 862 ALA 110 O 0.0078 0.0038 0.0165 863 GLU 111 N 0.0175 -0.0039 0.0136 864 GLU 111 CA 0.0165 -0.0035 0.0136 865 GLU 111 C 0.0135 -0.0046 0.0138 866 GLU 111 CB 0.0186 -0.0050 0.0137 867 GLU 111 O 0.0117 -0.0033 0.0137 868 GLU 111 CG 0.0215 -0.0034 0.0135 869 GLU 111 CD 0.0235 -0.0047 0.0136 870 GLU 111 OE1 0.0233 -0.0038 0.0135 871 GLU 111 OE2 0.0252 -0.0067 0.0138 872 GLN 112 N 0.0121 -0.0028 0.0153 873 GLN 112 CA 0.0086 -0.0038 0.0185 874 GLN 112 C 0.0051 -0.0028 0.0222 875 GLN 112 CB 0.0081 -0.0095 0.0179 876 GLN 112 O 0.0025 -0.0006 0.0251 877 GLN 112 CG 0.0111 -0.0106 0.0148 878 GLN 112 CD 0.0097 -0.0152 0.0153 879 GLN 112 NE2 0.0110 -0.0198 0.0131 880 GLN 112 OE1 0.0075 -0.0147 0.0175 881 VAL 113 N 0.0079 -0.0010 0.0190 882 VAL 113 CA 0.0048 0.0016 0.0188 883 VAL 113 C 0.0045 0.0047 0.0192 884 VAL 113 CB 0.0054 0.0034 0.0191 885 VAL 113 O 0.0014 0.0058 0.0188 886 VAL 113 CG1 0.0023 0.0065 0.0190 887 VAL 113 CG2 0.0053 0.0004 0.0187 888 MET 114 N -0.0000 0.0083 0.0193 889 MET 114 CA -0.0019 0.0094 0.0169 890 MET 114 C -0.0051 0.0093 0.0177 891 MET 114 CB -0.0015 0.0099 0.0158 892 MET 114 O -0.0068 0.0101 0.0159 893 MET 114 CG 0.0015 0.0103 0.0145 894 MET 114 SD 0.0017 0.0110 0.0129 895 MET 114 CE 0.0055 0.0113 0.0117 896 LYS 115 N -0.0027 0.0039 0.0182 897 LYS 115 CA -0.0071 0.0028 0.0190 898 LYS 115 C -0.0103 0.0027 0.0192 899 LYS 115 CB -0.0068 -0.0008 0.0217 900 LYS 115 O -0.0143 0.0029 0.0191 901 LYS 115 CG -0.0047 -0.0007 0.0216 902 LYS 115 CD -0.0050 -0.0043 0.0242 903 LYS 115 CE -0.0030 -0.0042 0.0241 904 LYS 115 NZ -0.0030 -0.0078 0.0267 905 ALA 116 N -0.0027 0.0024 0.0203 906 ALA 116 CA -0.0030 0.0033 0.0176 907 ALA 116 C -0.0039 0.0046 0.0128 908 ALA 116 CB 0.0006 0.0057 0.0188 909 ALA 116 O -0.0051 0.0049 0.0100 910 ASP 117 N -0.0117 0.0091 0.0148 911 ASP 117 CA -0.0127 0.0096 0.0085 912 ASP 117 C -0.0181 0.0062 0.0062 913 ASP 117 CB -0.0115 0.0106 0.0075 914 ASP 117 O -0.0213 0.0041 0.0060 915 ASP 117 CG -0.0120 0.0114 0.0009 916 ASP 117 OD1 -0.0114 0.0125 -0.0029 917 ASP 117 OD2 -0.0130 0.0110 -0.0005 918 ALA 118 N -0.0189 0.0070 0.0035 919 ALA 118 CA -0.0255 -0.0014 -0.0010 920 ALA 118 C -0.0284 -0.0059 -0.0112 921 ALA 118 CB -0.0235 0.0006 -0.0048 922 ALA 118 O -0.0353 -0.0143 -0.0122 923 ASN 119 N -0.0272 0.0025 -0.0077 924 ASN 119 CA -0.0286 -0.0014 -0.0160 925 ASN 119 C -0.0316 -0.0039 -0.0176 926 ASN 119 CB -0.0216 0.0008 -0.0222 927 ASN 119 O -0.0332 -0.0074 -0.0243 928 ASN 119 CG -0.0157 0.0045 -0.0222 929 ASN 119 ND2 -0.0095 0.0065 -0.0276 930 ASN 119 OD1 -0.0167 0.0057 -0.0175 931 GLY 120 N -0.0272 -0.0009 -0.0109 932 GLY 120 CA -0.0311 -0.0041 -0.0081 933 GLY 120 C -0.0286 -0.0039 -0.0120 934 GLY 120 O -0.0315 -0.0084 -0.0124 935 ASP 121 N -0.0202 0.0072 -0.0108 936 ASP 121 CA -0.0173 0.0077 -0.0157 937 ASP 121 C -0.0146 0.0099 -0.0136 938 ASP 121 CB -0.0134 0.0091 -0.0191 939 ASP 121 O -0.0121 0.0105 -0.0171 940 ASP 121 CG -0.0090 0.0126 -0.0159 941 ASP 121 OD1 -0.0092 0.0139 -0.0107 942 ASP 121 OD2 -0.0054 0.0141 -0.0185 943 GLY 122 N -0.0120 0.0131 -0.0037 944 GLY 122 CA -0.0102 0.0140 -0.0027 945 GLY 122 C -0.0054 0.0161 -0.0014 946 GLY 122 O -0.0035 0.0171 -0.0003 947 TYR 123 N -0.0043 0.0139 -0.0037 948 TYR 123 CA -0.0025 0.0147 -0.0032 949 TYR 123 C -0.0023 0.0155 -0.0017 950 TYR 123 CB -0.0010 0.0143 -0.0046 951 TYR 123 O -0.0031 0.0153 -0.0017 952 TYR 123 CG -0.0010 0.0135 -0.0061 953 TYR 123 CD1 -0.0000 0.0137 -0.0063 954 TYR 123 CD2 -0.0020 0.0125 -0.0075 955 TYR 123 CE1 -0.0000 0.0129 -0.0076 956 TYR 123 CE2 -0.0020 0.0117 -0.0088 957 TYR 123 OH -0.0010 0.0112 -0.0103 958 TYR 123 CZ -0.0010 0.0119 -0.0089 959 ILE 124 N 0.0043 0.0136 0.0027 960 ILE 124 CA 0.0047 0.0146 0.0037 961 ILE 124 C 0.0072 0.0163 0.0020 962 ILE 124 CB 0.0042 0.0158 0.0072 963 ILE 124 O 0.0089 0.0183 0.0024 964 ILE 124 CG1 0.0018 0.0141 0.0089 965 ILE 124 CG2 0.0046 0.0167 0.0083 966 ILE 124 CD1 0.0013 0.0153 0.0123 967 THR 125 N 0.0096 0.0154 0.0016 968 THR 125 CA 0.0126 0.0168 0.0001 969 THR 125 C 0.0133 0.0204 0.0006 970 THR 125 CB 0.0149 0.0147 -0.0019 971 THR 125 O 0.0117 0.0215 0.0019 972 THR 125 CG2 0.0144 0.0111 -0.0025 973 THR 125 OG1 0.0148 0.0146 -0.0018 974 LEU 126 N 0.0145 0.0207 -0.0019 975 LEU 126 CA 0.0143 0.0213 -0.0026 976 LEU 126 C 0.0161 0.0241 -0.0023 977 LEU 126 CB 0.0141 0.0191 -0.0009 978 LEU 126 O 0.0159 0.0256 -0.0041 979 LEU 126 CG 0.0138 0.0194 -0.0016 980 LEU 126 CD1 0.0120 0.0189 -0.0044 981 LEU 126 CD2 0.0139 0.0174 0.0005 982 GLU 127 N 0.0157 0.0286 -0.0054 983 GLU 127 CA 0.0207 0.0262 -0.0099 984 GLU 127 C 0.0143 0.0225 -0.0038 985 GLU 127 CB 0.0280 0.0160 -0.0164 986 GLU 127 O 0.0152 0.0268 -0.0048 987 GLU 127 CG 0.0357 0.0198 -0.0237 988 GLU 127 CD 0.0432 0.0098 -0.0302 989 GLU 127 OE1 0.0501 0.0103 -0.0367 990 GLU 127 OE2 0.0421 0.0015 -0.0289 991 GLU 128 N 0.0087 0.0204 -0.0029 992 GLU 128 CA 0.0060 0.0189 -0.0004 993 GLU 128 C 0.0061 0.0207 0.0033 994 GLU 128 CB 0.0048 0.0172 -0.0010 995 GLU 128 O 0.0044 0.0200 0.0056 996 GLU 128 CG 0.0040 0.0148 -0.0043 997 GLU 128 CD 0.0027 0.0132 -0.0049 998 GLU 128 OE1 0.0004 0.0106 -0.0052 999 GLU 128 OE2 0.0040 0.0145 -0.0051 1000 PHE 129 N 0.0134 0.0247 0.0025 1001 PHE 129 CA 0.0133 0.0234 0.0006 1002 PHE 129 C 0.0130 0.0227 0.0001 1003 PHE 129 CB 0.0121 0.0218 0.0006 1004 PHE 129 O 0.0136 0.0226 -0.0016 1005 PHE 129 CG 0.0121 0.0206 -0.0015 1006 PHE 129 CD1 0.0111 0.0190 -0.0019 1007 PHE 129 CD2 0.0131 0.0210 -0.0029 1008 PHE 129 CE1 0.0111 0.0178 -0.0038 1009 PHE 129 CE2 0.0130 0.0199 -0.0048 1010 PHE 129 CZ 0.0120 0.0183 -0.0052 1011 LEU 130 N 0.0144 0.0260 -0.0089 1012 LEU 130 CA 0.0141 0.0254 -0.0089 1013 LEU 130 C 0.0135 0.0244 -0.0088 1014 LEU 130 CB 0.0137 0.0259 -0.0097 1015 LEU 130 O 0.0134 0.0237 -0.0083 1016 LEU 130 CG 0.0142 0.0269 -0.0099 1017 LEU 130 CD1 0.0137 0.0273 -0.0108 1018 LEU 130 CD2 0.0147 0.0268 -0.0091 1019 GLU 131 N 0.0076 0.0149 -0.0070 1020 GLU 131 CA 0.0087 0.0102 -0.0079 1021 GLU 131 C 0.0130 0.0068 -0.0056 1022 GLU 131 CB 0.0086 0.0116 -0.0075 1023 GLU 131 O 0.0137 0.0021 -0.0069 1024 GLU 131 CG 0.0042 0.0124 -0.0108 1025 GLU 131 CD 0.0043 0.0127 -0.0106 1026 GLU 131 OE1 0.0048 0.0087 -0.0118 1027 GLU 131 OE2 0.0039 0.0171 -0.0092 1028 PHE 132 N 0.0107 0.0033 -0.0024 1029 PHE 132 CA 0.0077 0.0012 0.0072 1030 PHE 132 C 0.0092 0.0056 0.0133 1031 PHE 132 CB 0.0082 0.0033 0.0113 1032 PHE 132 O 0.0061 0.0023 0.0198 1033 PHE 132 CG 0.0048 0.0003 0.0208 1034 PHE 132 CD1 0.0066 0.0057 0.0288 1035 PHE 132 CD2 -0.0002 -0.0079 0.0217 1036 PHE 132 CE1 0.0034 0.0030 0.0376 1037 PHE 132 CE2 -0.0033 -0.0106 0.0305 1038 PHE 132 CZ -0.0015 -0.0052 0.0384 1039 SER 133 N 0.0132 0.0120 0.0063 1040 SER 133 CA 0.0138 0.0097 0.0070 1041 SER 133 C 0.0102 0.0051 0.0040 1042 SER 133 CB 0.0140 0.0146 0.0068 1043 SER 133 O 0.0107 0.0017 0.0047 1044 SER 133 OG 0.0149 0.0124 0.0079 1045 LEU 134 N 0.0089 -0.0214 0.0110 1046 LEU 134 CA -0.0067 -0.0429 0.0047 1047 LEU 134 C -0.0358 -0.0842 0.0222 1048 LEU 134 CB -0.0077 -0.0422 -0.0472 1049 LEU 134 O -0.0473 -0.1010 0.0418 1050 LEU 134 CG 0.0107 -0.0160 -0.0603 1051 LEU 134 CD1 0.0311 0.0138 -0.0972 1052 LEU 134 CD2 -0.0066 -0.0395 -0.0782