FMODB: The database of quantum mechanical data based on the FMO method
Last updated: 2025-10-17
All entries: 77277
Number of unique PDB entries: 32023
FMODB ID: 2L42R
Calculation Name: 3ALZ-AB-Other466
Preferred Name:
Target Type:
Ligand Name: 2-acetamido-2-deoxy-beta-d-glucopyranose
Ligand 3-letter code: NAG
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 3ALZ
Chain ID: AB
UniProt ID: P08362
Base Structure: Homology modeling
Registration Date: 2024-03-27
Reference:
Apendix: None
Modeling method
| Optimization | AMBER15:AMBER14SB |
|---|---|
| Restraint | OptAll |
| Protonation | MOE:Protonate 3D |
| Complement | MOE:Structure Preparation |
| Water | All crystal waters in PDB. |
| Procedure | Manual calculation |
| Remarks |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 572 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -12676861.432118 |
|---|---|
| FMO2-HF: Nuclear repulsion | 12449374.852954 |
| FMO2-HF: Total energy | -227486.579164 |
| FMO2-MP2: Total energy | -228138.096123 |
3D Structure
Ligand structure
Ligand Interaction
trp6 interaction enegry (frag 6 : frag 1-4,8-20)
| IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
|---|---|---|---|---|---|
| IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
| 38.43747 | 51.25546 | 10.38731 | -9.2223 | -13.9830 | 0.0792 |
Interactive mode: IFIE and PIEDA for fragment #1(A:151:ACE)
Summations of interaction energy for
fragment #1(A:151:ACE)
| IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
|---|---|---|---|---|---|
| IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
| 2.594 | 4.397 | 0.088 | -0.751 | -1.142 | 0 |
Interaction energy analysis for fragmet #1(A:151:ACE)
| frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 3 | A | 153 | TYR | 0 | 0.056 | 0.040 | 3.393 | 0.283 | 1.411 | 0.012 | -0.525 | -0.615 | 0.000 |
| 4 | A | 154 | CYS | 0 | 0.006 | -0.006 | 3.173 | 0.406 | 0.911 | 0.077 | -0.169 | -0.414 | 0.000 |
| 5 | A | 155 | ALA | 0 | -0.004 | -0.001 | 4.406 | 0.688 | 0.858 | -0.001 | -0.057 | -0.113 | 0.000 |
| 6 | A | 156 | ASP | -1 | -0.862 | -0.918 | 6.283 | -0.317 | -0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 157 | VAL | 0 | 0.066 | 0.032 | 8.353 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 158 | ALA | 0 | -0.033 | -0.014 | 8.645 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 159 | ALA | 0 | -0.031 | -0.006 | 10.299 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 160 | GLU | -1 | -0.915 | -0.974 | 12.164 | -0.412 | -0.412 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 161 | GLU | -1 | -0.876 | -0.925 | 13.423 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 162 | LEU | 0 | -0.024 | -0.017 | 14.287 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 163 | MET | 0 | -0.089 | -0.018 | 16.773 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 164 | ASN | 0 | -0.007 | -0.024 | 17.145 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 165 | ALA | 0 | 0.017 | 0.017 | 19.442 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 166 | LEU | 0 | -0.035 | -0.026 | 21.291 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 167 | VAL | 0 | 0.014 | -0.006 | 24.058 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 168 | ASN | 0 | -0.066 | -0.033 | 24.010 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 169 | SER | 0 | -0.026 | 0.013 | 27.523 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 170 | THR | 0 | -0.071 | -0.043 | 28.018 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 171 | LEU | 0 | 0.005 | 0.014 | 28.393 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 172 | LEU | 0 | 0.056 | 0.016 | 22.534 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 173 | GLU | -1 | -0.808 | -0.899 | 23.570 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 174 | ALA | 0 | 0.051 | 0.026 | 25.550 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 175 | ARG | 1 | 0.780 | 0.884 | 27.090 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 176 | ALA | 0 | 0.087 | 0.045 | 28.386 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 177 | THR | 0 | 0.016 | -0.001 | 30.123 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 178 | ASN | 0 | 0.016 | 0.022 | 31.664 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 179 | GLN | 0 | -0.025 | -0.021 | 31.605 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 180 | PHE | 0 | 0.029 | 0.028 | 34.309 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 181 | LEU | 0 | -0.032 | -0.018 | 36.286 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 182 | ALA | 0 | -0.062 | -0.013 | 37.228 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 183 | VAL | 0 | 0.000 | 0.011 | 38.378 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 184 | SER | 0 | -0.016 | -0.012 | 40.029 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 185 | LYS | 1 | 0.881 | 0.954 | 42.437 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 186 | GLY | 0 | 0.044 | 0.001 | 44.535 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 187 | ASN | 0 | -0.032 | -0.008 | 47.434 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 188 | CYS | 0 | -0.044 | -0.010 | 50.431 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 189 | SER | 0 | 0.012 | -0.016 | 53.271 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 190 | GLY | 0 | 0.034 | 0.016 | 56.311 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 191 | PRO | 0 | -0.041 | -0.018 | 56.158 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 192 | THR | 0 | -0.008 | -0.022 | 52.804 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 193 | THR | 0 | -0.037 | -0.034 | 52.896 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 194 | ILE | 0 | 0.006 | 0.007 | 47.530 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 195 | ARG | 1 | 0.911 | 0.962 | 46.925 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 196 | GLY | 0 | 0.059 | 0.014 | 44.879 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 197 | GLN | 0 | -0.084 | -0.057 | 41.289 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 198 | PHE | 0 | 0.041 | 0.002 | 42.468 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 199 | SER | 0 | -0.006 | 0.002 | 38.469 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 200 | ASN | 0 | 0.069 | 0.029 | 38.428 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 201 | MET | 0 | -0.012 | 0.013 | 36.313 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 202 | SER | 0 | -0.037 | -0.060 | 31.795 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 203 | LEU | 0 | -0.014 | -0.007 | 29.102 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 204 | SER | 0 | -0.021 | -0.019 | 27.585 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 205 | LEU | 0 | 0.004 | -0.005 | 25.931 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 206 | LEU | 0 | 0.025 | 0.028 | 28.776 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 207 | ASP | -1 | -0.766 | -0.886 | 30.769 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 208 | LEU | 0 | -0.028 | 0.016 | 30.625 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 209 | TYR | 0 | -0.033 | -0.055 | 28.266 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 210 | LEU | 0 | 0.013 | 0.007 | 34.201 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 211 | SER | 0 | -0.067 | -0.047 | 36.210 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 212 | ARG | 1 | 0.861 | 0.928 | 35.440 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 213 | GLY | 0 | 0.015 | 0.023 | 38.359 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 214 | TYR | 0 | -0.027 | -0.007 | 34.991 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 215 | ASN | 0 | 0.003 | -0.004 | 37.753 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 216 | VAL | 0 | -0.017 | -0.017 | 33.532 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 217 | SER | 0 | -0.008 | 0.006 | 34.475 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 218 | SER | 0 | 0.041 | 0.027 | 32.111 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 219 | ILE | 0 | -0.025 | 0.009 | 31.213 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 220 | VAL | 0 | -0.026 | 0.004 | 28.835 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 221 | THR | 0 | -0.011 | -0.013 | 28.103 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 222 | MET | 0 | -0.015 | 0.007 | 25.974 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 223 | THR | 0 | 0.060 | 0.030 | 26.822 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 224 | SER | 0 | -0.070 | -0.045 | 24.367 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 225 | GLN | 0 | 0.023 | 0.004 | 20.623 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 226 | GLY | 0 | 0.041 | 0.023 | 23.405 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 227 | MET | 0 | -0.044 | 0.006 | 19.415 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 228 | TYR | 0 | -0.029 | -0.039 | 23.953 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 229 | GLY | 0 | 0.039 | 0.017 | 23.101 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 230 | GLY | 0 | -0.006 | -0.014 | 23.990 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 231 | THR | 0 | -0.069 | -0.032 | 24.450 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 232 | TYR | 0 | -0.003 | -0.019 | 26.644 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 233 | LEU | 0 | -0.007 | 0.011 | 28.976 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 234 | VAL | 0 | -0.003 | -0.017 | 30.527 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 235 | GLY | 0 | 0.026 | 0.014 | 33.180 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 236 | LYS | 1 | 0.813 | 0.888 | 29.281 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 237 | PRO | 0 | 0.022 | 0.014 | 35.141 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 238 | ASN | 0 | -0.026 | -0.011 | 35.693 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 239 | LEU | 0 | -0.015 | -0.011 | 33.724 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 240 | SER | 0 | 0.061 | 0.021 | 36.890 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 241 | SER | 0 | -0.010 | 0.008 | 34.608 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 242 | LYS | 1 | 0.927 | 0.963 | 30.417 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 243 | GLY | 0 | 0.097 | 0.045 | 36.172 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 244 | SER | 0 | -0.046 | -0.031 | 35.554 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 245 | GLU | -1 | -0.958 | -0.986 | 37.595 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 246 | LEU | 0 | 0.015 | 0.015 | 40.226 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 247 | SER | 0 | -0.071 | -0.028 | 39.207 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 248 | GLN | 0 | 0.027 | 0.018 | 41.049 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 249 | LEU | 0 | -0.020 | -0.021 | 37.716 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 250 | SER | 0 | -0.009 | 0.009 | 32.902 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 251 | MET | 0 | 0.041 | 0.024 | 33.803 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 252 | HIS | 0 | -0.040 | -0.023 | 27.795 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 253 | ARG | 1 | 0.868 | 0.925 | 25.839 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 254 | VAL | 0 | -0.012 | -0.006 | 25.060 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 255 | PHE | 0 | -0.008 | -0.011 | 21.162 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 256 | GLU | -1 | -0.713 | -0.823 | 21.929 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 257 | VAL | 0 | -0.008 | -0.002 | 17.790 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 258 | GLY | 0 | 0.053 | 0.021 | 21.202 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 259 | VAL | 0 | -0.004 | -0.002 | 21.413 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 260 | ILE | 0 | -0.028 | -0.004 | 23.983 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 261 | ARG | 1 | 0.901 | 0.947 | 24.158 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 262 | ASN | 0 | 0.058 | 0.015 | 28.923 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 263 | PRO | 0 | -0.017 | -0.016 | 31.491 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 264 | GLY | 0 | 0.030 | 0.026 | 33.260 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 265 | LEU | 0 | -0.016 | -0.012 | 35.728 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 266 | GLY | 0 | 0.001 | 0.011 | 38.377 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 267 | ALA | 0 | -0.024 | -0.022 | 37.396 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 268 | PRO | 0 | -0.053 | 0.004 | 32.609 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 269 | VAL | 0 | -0.012 | -0.005 | 30.814 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 270 | PHE | 0 | -0.009 | -0.002 | 28.430 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 271 | HIS | 0 | 0.037 | 0.015 | 23.897 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 272 | MET | 0 | 0.018 | 0.029 | 22.803 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 273 | THR | 0 | -0.055 | -0.048 | 19.320 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 274 | ASN | 0 | -0.069 | -0.064 | 15.008 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 275 | TYR | 0 | 0.027 | 0.010 | 18.912 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 276 | PHE | 0 | -0.027 | -0.017 | 14.522 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 277 | GLU | -1 | -0.797 | -0.860 | 20.775 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 278 | GLN | 0 | -0.008 | -0.011 | 21.911 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 279 | PRO | 0 | -0.003 | 0.005 | 25.874 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 280 | VAL | 0 | 0.003 | 0.013 | 28.017 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 281 | SER | 0 | -0.034 | -0.014 | 28.012 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 282 | ASN | 0 | -0.010 | -0.036 | 29.913 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 283 | ASP | -1 | -0.823 | -0.883 | 33.214 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 284 | PHE | 0 | 0.016 | -0.009 | 34.122 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 285 | SER | 0 | -0.026 | -0.024 | 30.067 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 286 | ASN | 0 | -0.019 | -0.003 | 31.943 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 287 | CYS | 0 | -0.050 | -0.032 | 23.434 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 288 | MET | 0 | -0.036 | 0.000 | 25.352 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 289 | VAL | 0 | 0.010 | 0.004 | 23.714 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 290 | ALA | 0 | -0.003 | 0.006 | 21.486 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 291 | LEU | 0 | 0.020 | 0.010 | 20.898 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 292 | GLY | 0 | -0.021 | -0.017 | 20.089 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 293 | GLU | -1 | -0.847 | -0.938 | 15.223 | -0.310 | -0.310 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 294 | LEU | 0 | 0.046 | 0.020 | 15.588 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 295 | LYS | 1 | 0.826 | 0.915 | 12.178 | 0.484 | 0.484 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 296 | PHE | 0 | 0.062 | 0.012 | 16.214 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 297 | ALA | 0 | -0.018 | -0.006 | 16.725 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 298 | ALA | 0 | -0.009 | -0.002 | 18.788 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 299 | LEU | 0 | -0.020 | -0.011 | 20.866 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 301 | HIS | 0 | -0.015 | -0.029 | 26.270 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 302 | ARG | 1 | 0.869 | 0.928 | 29.091 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 303 | GLU | -1 | -0.848 | -0.906 | 32.129 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 304 | ASP | -1 | -0.820 | -0.889 | 33.801 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 305 | SER | 0 | -0.044 | -0.048 | 36.139 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 306 | ILE | 0 | -0.048 | -0.010 | 31.068 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 307 | THR | 0 | 0.015 | 0.004 | 34.438 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 308 | ILE | 0 | -0.025 | -0.002 | 32.530 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 309 | PRO | 0 | -0.047 | -0.022 | 32.966 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 310 | TYR | 0 | 0.034 | 0.019 | 35.453 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 311 | GLN | 0 | 0.026 | 0.000 | 36.291 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 312 | GLY | 0 | 0.007 | 0.006 | 33.000 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 313 | SER | 0 | -0.042 | -0.004 | 33.907 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 314 | GLY | 0 | 0.035 | 0.015 | 34.152 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 315 | LYS | 1 | 0.953 | 0.977 | 31.149 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 316 | GLY | 0 | 0.070 | 0.012 | 27.693 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 317 | VAL | 0 | -0.032 | -0.027 | 28.127 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 318 | SER | 0 | -0.013 | 0.014 | 24.892 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 319 | PHE | 0 | 0.054 | 0.043 | 24.301 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 320 | GLN | 0 | -0.020 | -0.011 | 20.734 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 321 | LEU | 0 | -0.004 | 0.001 | 17.396 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 322 | VAL | 0 | -0.024 | -0.024 | 17.280 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 323 | LYS | 1 | 0.874 | 0.951 | 9.320 | 0.830 | 0.830 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 324 | LEU | 0 | -0.029 | -0.001 | 14.370 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 325 | GLY | 0 | 0.058 | 0.021 | 12.640 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 326 | VAL | 0 | 0.027 | 0.009 | 13.490 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 327 | TRP | 0 | 0.030 | 0.029 | 15.017 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 328 | LYS | 1 | 0.851 | 0.940 | 13.409 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 329 | SER | 0 | 0.033 | 0.018 | 9.371 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 330 | PRO | 0 | -0.014 | -0.026 | 5.971 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 331 | THR | 0 | 0.018 | 0.007 | 6.915 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 332 | ASP | -1 | -0.785 | -0.879 | 7.915 | -0.357 | -0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 333 | MET | 0 | -0.045 | -0.016 | 10.465 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 334 | ARG | 1 | 0.940 | 0.970 | 12.886 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 335 | SER | 0 | -0.022 | -0.002 | 16.142 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 336 | TRP | 0 | 0.027 | 0.024 | 18.119 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 337 | VAL | 0 | -0.009 | -0.006 | 18.654 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 338 | PRO | 0 | 0.022 | 0.021 | 21.755 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 339 | LEU | 0 | -0.008 | -0.002 | 23.826 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 340 | SER | 0 | -0.024 | -0.016 | 25.266 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 341 | THR | 0 | -0.011 | -0.020 | 26.998 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 342 | ASP | -1 | -0.945 | -0.969 | 28.215 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 343 | ASP | -1 | -0.789 | -0.869 | 30.227 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 344 | PRO | 0 | -0.009 | -0.003 | 32.564 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 345 | VAL | 0 | -0.005 | 0.003 | 35.331 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 346 | ILE | 0 | -0.013 | -0.005 | 33.065 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 347 | ASP | -1 | -0.827 | -0.890 | 37.172 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 348 | ARG | 1 | 0.895 | 0.920 | 37.031 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 349 | LEU | 0 | -0.008 | 0.001 | 31.283 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 350 | TYR | 0 | 0.000 | 0.001 | 35.749 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 351 | LEU | 0 | -0.050 | -0.012 | 30.630 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 352 | SER | 0 | 0.043 | 0.011 | 33.502 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 353 | SER | 0 | 0.039 | 0.019 | 32.087 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 354 | HIS | 0 | -0.020 | -0.003 | 29.334 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 355 | ARG | 1 | 0.807 | 0.885 | 27.826 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 356 | GLY | 0 | 0.051 | 0.009 | 25.858 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 357 | VAL | 0 | -0.032 | -0.011 | 23.109 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 358 | ILE | 0 | -0.031 | -0.004 | 17.054 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 359 | ALA | 0 | -0.046 | -0.036 | 19.511 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 360 | ASP | -1 | -0.829 | -0.900 | 18.079 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 361 | ASN | 0 | -0.034 | -0.011 | 12.321 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 362 | GLN | 0 | -0.014 | -0.011 | 15.054 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 363 | ALA | 0 | 0.031 | 0.029 | 17.778 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 364 | LYS | 1 | 0.784 | 0.887 | 20.122 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 365 | TRP | 0 | 0.004 | -0.024 | 21.412 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 366 | ALA | 0 | 0.021 | 0.001 | 27.150 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 367 | VAL | 0 | 0.014 | 0.004 | 30.487 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 368 | PRO | 0 | 0.020 | 0.011 | 33.231 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 369 | THR | 0 | -0.051 | -0.027 | 34.985 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 370 | THR | 0 | 0.068 | 0.038 | 37.971 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 371 | ARG | 1 | 0.815 | 0.887 | 36.915 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 372 | THR | 0 | 0.005 | -0.018 | 40.724 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 373 | ASP | -1 | -0.736 | -0.844 | 41.833 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 374 | ASP | -1 | -0.786 | -0.889 | 44.125 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 375 | LYS | 1 | 0.879 | 0.927 | 45.435 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 376 | LEU | 0 | -0.039 | -0.005 | 46.184 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 377 | ARG | 1 | 0.827 | 0.914 | 42.680 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 378 | MET | 0 | 0.042 | 0.019 | 45.857 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 379 | GLU | -1 | -0.781 | -0.891 | 48.330 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 380 | THR | 0 | -0.036 | -0.020 | 51.627 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 381 | CYS | 0 | -0.034 | -0.002 | 49.390 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 382 | PHE | 0 | 0.035 | 0.009 | 48.816 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 383 | GLN | 0 | 0.007 | -0.022 | 51.444 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 384 | GLN | 0 | 0.022 | 0.023 | 54.580 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 385 | ALA | 0 | 0.006 | -0.002 | 51.547 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 386 | CYS | 0 | -0.052 | -0.012 | 50.723 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 387 | LYS | 1 | 0.803 | 0.902 | 54.528 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 388 | GLY | 0 | 0.053 | 0.016 | 56.357 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 389 | LYS | 1 | 0.901 | 0.958 | 52.695 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 390 | ASN | 0 | 0.050 | 0.016 | 48.868 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 391 | GLN | 0 | 0.005 | 0.003 | 52.428 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 392 | ALA | 0 | -0.002 | 0.000 | 55.092 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 393 | LEU | 0 | -0.017 | -0.002 | 47.958 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 395 | GLU | -1 | -0.798 | -0.887 | 52.251 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 396 | ASN | 0 | -0.056 | -0.041 | 55.471 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 397 | PRO | 0 | 0.001 | 0.030 | 50.265 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 398 | GLU | -1 | -0.829 | -0.937 | 48.718 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 399 | TRP | 0 | -0.002 | -0.006 | 40.341 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 400 | ALA | 0 | 0.023 | 0.016 | 42.919 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 401 | PRO | 0 | 0.028 | 0.030 | 42.616 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 402 | LEU | 0 | -0.001 | -0.010 | 45.179 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 403 | LYS | 1 | 0.840 | 0.922 | 47.851 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 404 | ASP | -1 | -0.903 | -0.945 | 45.233 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 405 | ASN | 0 | -0.075 | -0.030 | 48.813 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 406 | ARG | 1 | 0.742 | 0.852 | 44.327 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 407 | ILE | 0 | -0.025 | -0.006 | 45.893 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 408 | PRO | 0 | -0.043 | -0.025 | 42.615 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 409 | SER | 0 | -0.018 | -0.009 | 38.930 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 410 | TYR | 0 | -0.067 | -0.059 | 35.598 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 411 | GLY | 0 | 0.055 | 0.025 | 33.284 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 412 | VAL | 0 | -0.052 | -0.028 | 27.335 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 413 | LEU | 0 | 0.050 | 0.029 | 26.101 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 414 | SER | 0 | -0.055 | -0.040 | 21.968 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 415 | VAL | 0 | 0.013 | 0.023 | 18.649 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 416 | ASN | 0 | -0.012 | -0.018 | 13.547 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 417 | LEU | 0 | 0.031 | 0.007 | 13.420 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 418 | SER | 0 | 0.020 | 0.009 | 9.320 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 419 | LEU | 0 | -0.056 | -0.009 | 8.484 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 420 | THR | 0 | -0.037 | -0.029 | 9.830 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 421 | VAL | 0 | 0.034 | 0.012 | 11.127 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 422 | GLU | -1 | -0.875 | -0.915 | 13.325 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 423 | LEU | 0 | -0.001 | 0.011 | 13.997 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 424 | LYS | 1 | 0.863 | 0.902 | 17.176 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 425 | ILE | 0 | -0.028 | -0.007 | 20.493 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 426 | LYS | 1 | 0.892 | 0.933 | 18.695 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 427 | ILE | 0 | -0.004 | -0.013 | 24.217 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 428 | ALA | 0 | 0.040 | 0.035 | 27.908 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 429 | SER | 0 | -0.012 | -0.037 | 30.669 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 430 | GLY | 0 | -0.010 | -0.004 | 34.230 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 431 | PHE | 0 | 0.005 | -0.009 | 37.443 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 432 | GLY | 0 | 0.031 | 0.018 | 40.217 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 433 | PRO | 0 | 0.005 | 0.017 | 41.546 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 434 | LEU | 0 | 0.013 | 0.024 | 42.948 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 435 | ILE | 0 | -0.030 | -0.012 | 39.386 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 436 | THR | 0 | -0.032 | -0.012 | 43.357 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 437 | HIS | 0 | 0.035 | 0.009 | 42.813 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 438 | GLY | 0 | 0.026 | 0.016 | 39.653 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 439 | SER | 0 | -0.028 | -0.025 | 38.673 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 440 | GLY | 0 | 0.059 | 0.023 | 35.522 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 441 | MET | 0 | -0.098 | -0.036 | 33.819 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 442 | ASP | -1 | -0.760 | -0.852 | 31.430 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 443 | LEU | 0 | -0.039 | -0.019 | 27.841 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 444 | TYR | 0 | 0.003 | -0.008 | 29.159 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 445 | LYS | 1 | 0.905 | 0.948 | 23.618 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 446 | THR | 0 | 0.010 | 0.017 | 29.200 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 447 | ASN | 0 | -0.035 | -0.041 | 30.405 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 448 | HIS | 0 | 0.031 | 0.032 | 31.061 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 449 | ASN | 0 | 0.085 | 0.023 | 24.467 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 450 | ASN | 0 | -0.019 | -0.018 | 27.963 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 451 | VAL | 0 | -0.025 | -0.004 | 29.676 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 452 | TYR | 0 | 0.017 | 0.013 | 24.882 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 453 | TRP | 0 | 0.022 | 0.009 | 31.310 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 454 | LEU | 0 | 0.013 | -0.003 | 32.519 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 455 | THR | 0 | -0.058 | -0.025 | 34.786 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 456 | ILE | 0 | 0.045 | 0.013 | 36.274 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 457 | PRO | 0 | 0.045 | 0.036 | 38.003 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 458 | PRO | 0 | -0.004 | -0.018 | 40.774 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 459 | MET | 0 | -0.023 | 0.024 | 44.523 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 460 | LYS | 1 | 0.901 | 0.917 | 46.003 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 461 | ASN | 0 | -0.034 | -0.018 | 47.761 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 462 | LEU | 0 | 0.018 | 0.020 | 50.693 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 463 | ALA | 0 | 0.012 | 0.008 | 49.008 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 464 | LEU | 0 | -0.022 | -0.002 | 46.901 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 465 | GLY | 0 | 0.023 | 0.013 | 43.439 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 466 | VAL | 0 | -0.041 | -0.032 | 41.265 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 467 | ILE | 0 | -0.022 | -0.004 | 38.423 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 468 | ASN | 0 | 0.056 | 0.018 | 38.324 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 469 | THR | 0 | -0.022 | -0.016 | 35.826 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 470 | LEU | 0 | -0.001 | 0.004 | 30.063 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 471 | GLU | -1 | -0.890 | -0.939 | 32.489 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 472 | TRP | 0 | 0.004 | -0.017 | 24.289 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 473 | ILE | 0 | -0.008 | 0.018 | 26.142 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 474 | PRO | 0 | -0.010 | 0.001 | 29.873 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 475 | ARG | 1 | 0.960 | 0.961 | 33.290 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 476 | PHE | 0 | 0.020 | 0.041 | 31.680 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 477 | LYS | 1 | 0.769 | 0.859 | 33.931 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 478 | VAL | 0 | -0.023 | 0.004 | 35.529 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 479 | SER | 0 | 0.027 | -0.007 | 37.794 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 480 | PRO | 0 | -0.001 | 0.002 | 40.199 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 481 | ASN | 0 | -0.073 | -0.036 | 40.763 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 482 | LEU | 0 | 0.013 | 0.003 | 42.771 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 483 | PHE | 0 | 0.018 | 0.015 | 43.655 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 484 | THR | 0 | 0.010 | 0.021 | 44.124 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 485 | VAL | 0 | -0.038 | -0.032 | 46.839 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 486 | PRO | 0 | 0.019 | -0.002 | 50.064 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 487 | ILE | 0 | -0.047 | -0.027 | 51.488 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 488 | LYS | 1 | 0.878 | 0.951 | 53.789 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 489 | GLU | -1 | -0.867 | -0.969 | 55.719 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 490 | ALA | 0 | -0.012 | 0.001 | 51.537 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 491 | GLY | 0 | -0.010 | 0.007 | 50.055 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 492 | GLU | -1 | -0.938 | -0.965 | 47.901 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 493 | ASP | -1 | -0.897 | -0.936 | 44.003 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 494 | CYS | 0 | 0.011 | 0.027 | 46.922 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 495 | HIS | 0 | 0.002 | -0.013 | 46.505 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 496 | ALA | 0 | 0.023 | 0.013 | 47.258 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 497 | PRO | 0 | -0.003 | -0.003 | 45.741 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 498 | THR | 0 | -0.031 | -0.016 | 48.244 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 499 | TYR | 0 | 0.052 | -0.001 | 50.725 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 500 | LEU | 0 | -0.015 | 0.003 | 51.085 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 501 | PRO | 0 | 0.007 | 0.008 | 54.968 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 502 | ALA | 0 | 0.001 | 0.001 | 57.900 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 503 | GLU | -1 | -0.955 | -0.992 | 57.065 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 504 | VAL | 0 | 0.015 | 0.026 | 54.856 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 505 | ASP | -1 | -0.766 | -0.909 | 52.678 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 506 | GLY | 0 | 0.023 | 0.007 | 53.551 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 507 | ASP | -1 | -0.844 | -0.909 | 54.853 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 508 | VAL | 0 | 0.002 | 0.016 | 48.411 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 509 | LYS | 1 | 0.847 | 0.923 | 49.518 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 510 | LEU | 0 | 0.002 | -0.011 | 42.850 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 511 | SER | 0 | -0.003 | 0.008 | 44.274 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 512 | SER | 0 | 0.014 | 0.003 | 38.817 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 513 | ASN | 0 | 0.009 | -0.008 | 34.871 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 514 | LEU | 0 | 0.010 | 0.008 | 37.383 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 515 | VAL | 0 | 0.001 | 0.002 | 32.808 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 516 | ILE | 0 | 0.002 | -0.002 | 33.447 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 517 | LEU | 0 | -0.035 | -0.016 | 33.432 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 518 | PRO | 0 | -0.049 | -0.027 | 29.984 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 519 | GLY | 0 | 0.059 | 0.011 | 32.730 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 520 | GLN | 0 | -0.037 | -0.002 | 33.999 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 521 | ASP | -1 | -0.801 | -0.879 | 36.575 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 522 | LEU | 0 | 0.018 | 0.008 | 37.546 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 523 | GLN | 0 | 0.005 | -0.006 | 38.016 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 524 | TYR | 0 | -0.006 | -0.018 | 37.839 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 525 | VAL | 0 | -0.011 | -0.009 | 38.386 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 526 | LEU | 0 | 0.043 | 0.030 | 39.196 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 527 | ALA | 0 | 0.008 | 0.007 | 40.669 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 528 | THR | 0 | -0.002 | 0.014 | 42.357 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 529 | TYR | 0 | 0.033 | 0.011 | 45.166 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 530 | ASP | -1 | -0.774 | -0.875 | 46.734 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 531 | THR | 0 | -0.058 | -0.043 | 50.382 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 532 | SER | 0 | -0.057 | -0.055 | 53.568 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 533 | ARG | 1 | 0.759 | 0.876 | 51.764 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 534 | VAL | 0 | 0.045 | 0.031 | 55.516 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 535 | GLU | -1 | -0.871 | -0.900 | 51.454 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 536 | HIS | 0 | 0.037 | 0.015 | 50.019 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 537 | ALA | 0 | 0.016 | 0.002 | 47.929 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 538 | VAL | 0 | 0.018 | 0.017 | 41.782 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 539 | VAL | 0 | -0.029 | -0.014 | 45.194 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 540 | TYR | 0 | 0.023 | 0.002 | 39.929 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 541 | TYR | 0 | 0.031 | 0.002 | 43.747 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 542 | VAL | 0 | -0.015 | 0.000 | 41.911 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 543 | TYR | 0 | 0.030 | 0.012 | 42.775 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 544 | SER | 0 | -0.015 | -0.013 | 42.487 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 545 | PRO | 0 | 0.004 | -0.005 | 42.849 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 546 | SER | 0 | -0.008 | 0.001 | 42.117 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 547 | ARG | 1 | 0.751 | 0.843 | 43.023 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 548 | SER | 0 | -0.036 | -0.038 | 47.336 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 549 | PHE | 0 | -0.021 | -0.020 | 47.698 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 550 | SER | 0 | 0.000 | -0.001 | 47.082 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 551 | TYR | 0 | -0.035 | -0.039 | 43.810 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 552 | PHE | 0 | 0.044 | 0.036 | 47.010 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 553 | TYR | 0 | -0.011 | -0.022 | 45.858 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 554 | PRO | 0 | -0.005 | 0.010 | 46.540 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 555 | PHE | 0 | -0.014 | -0.003 | 43.188 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 556 | ARG | 1 | 0.823 | 0.888 | 46.372 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 557 | LEU | 0 | -0.008 | 0.000 | 43.934 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 558 | PRO | 0 | -0.012 | 0.000 | 45.059 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 559 | ILE | 0 | 0.025 | 0.012 | 45.072 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 560 | LYS | 1 | 0.878 | 0.932 | 49.216 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 561 | GLY | 0 | 0.078 | 0.041 | 49.880 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 562 | VAL | 0 | -0.044 | -0.016 | 49.611 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 563 | PRO | 0 | -0.050 | -0.013 | 44.988 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 564 | ILE | 0 | -0.020 | -0.010 | 41.541 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 565 | GLU | -1 | -0.765 | -0.891 | 35.546 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 566 | LEU | 0 | -0.060 | -0.030 | 39.717 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 567 | GLN | 0 | 0.016 | 0.012 | 34.116 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 568 | VAL | 0 | -0.027 | -0.023 | 35.821 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 569 | GLU | -1 | -0.811 | -0.905 | 29.950 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 570 | CYS | 0 | -0.039 | -0.033 | 33.327 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 571 | PHE | 0 | 0.015 | -0.002 | 31.522 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 572 | THR | 0 | -0.022 | -0.014 | 33.501 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 573 | TRP | 0 | 0.008 | -0.016 | 31.783 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 574 | ASP | -1 | -0.893 | -0.947 | 35.444 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 575 | LYS | 1 | 0.933 | 0.953 | 37.823 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 576 | LYS | 1 | 0.875 | 0.950 | 39.443 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 577 | LEU | 0 | 0.006 | 0.004 | 37.288 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 578 | TRP | 0 | 0.003 | 0.020 | 35.612 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 579 | CYS | 0 | -0.058 | -0.013 | 36.262 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 580 | ARG | 1 | 0.855 | 0.921 | 33.074 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 581 | HIS | 0 | 0.032 | 0.024 | 36.109 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 582 | PHE | 0 | 0.060 | 0.027 | 32.232 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 583 | CYS | 0 | -0.029 | -0.005 | 37.052 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 584 | VAL | 0 | 0.039 | 0.028 | 38.421 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 585 | LEU | 0 | -0.019 | -0.019 | 41.184 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 586 | ALA | 0 | 0.049 | 0.021 | 44.971 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 587 | ASP | -1 | -0.888 | -0.959 | 47.592 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 588 | SER | 0 | -0.038 | -0.035 | 49.381 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 589 | GLU | -1 | -0.917 | -0.938 | 51.621 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 590 | SER | 0 | -0.041 | -0.029 | 52.058 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 591 | GLY | 0 | -0.021 | -0.015 | 50.829 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 592 | GLY | 0 | 0.011 | 0.022 | 48.061 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 593 | HIS | 0 | -0.035 | -0.027 | 40.360 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 594 | ILE | 0 | 0.039 | 0.039 | 42.957 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 595 | THR | 0 | -0.017 | -0.028 | 37.406 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 596 | HIS | 0 | 0.003 | 0.000 | 40.229 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 597 | SER | 0 | 0.000 | 0.001 | 36.344 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 598 | GLY | 0 | -0.001 | 0.001 | 38.422 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 599 | MET | 0 | -0.045 | -0.009 | 33.940 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 600 | VAL | 0 | -0.014 | -0.007 | 39.024 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 601 | GLY | 0 | 0.072 | 0.031 | 39.546 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 602 | MET | 0 | -0.060 | -0.028 | 40.801 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 603 | GLY | 0 | 0.048 | 0.039 | 43.009 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 604 | VAL | 0 | -0.032 | -0.026 | 45.038 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 605 | SER | 0 | -0.005 | 0.002 | 47.949 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 607 | NME | 0 | 0.012 | 0.037 | 54.746 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | B | 20 | ACE | 0 | -0.008 | -0.015 | 75.438 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | B | 21 | ALA | 0 | 0.024 | 0.019 | 73.297 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | B | 22 | SER | 0 | -0.007 | -0.029 | 70.892 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | B | 23 | TYR | 0 | 0.033 | 0.013 | 67.788 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | B | 24 | GLY | 0 | 0.077 | 0.044 | 67.316 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | B | 25 | THR | 0 | -0.060 | -0.030 | 61.202 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | B | 26 | GLY | 0 | 0.048 | 0.033 | 62.087 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | B | 27 | GLY | 0 | 0.000 | -0.008 | 59.446 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | B | 28 | ARG | 1 | 0.937 | 0.943 | 53.601 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | B | 29 | MET | 0 | -0.015 | 0.012 | 47.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | B | 30 | MET | 0 | 0.036 | 0.024 | 53.078 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | B | 31 | ASN | 0 | -0.013 | 0.026 | 55.222 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | B | 32 | CYS | 0 | 0.013 | 0.009 | 57.256 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | B | 33 | PRO | 0 | -0.008 | 0.003 | 60.074 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | B | 34 | LYS | 1 | 0.966 | 0.999 | 63.183 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | B | 35 | ILE | 0 | -0.038 | -0.010 | 65.695 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | B | 36 | LEU | 0 | -0.016 | -0.003 | 68.240 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | B | 37 | ARG | 1 | 0.861 | 0.932 | 70.999 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | B | 38 | GLN | 0 | 0.065 | 0.019 | 72.782 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | B | 39 | LEU | 0 | 0.034 | 0.011 | 70.018 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | B | 40 | GLY | 0 | 0.090 | 0.064 | 72.015 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | B | 41 | SER | 0 | -0.043 | -0.015 | 74.323 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | B | 42 | LYS | 1 | 0.926 | 0.972 | 73.067 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | B | 43 | VAL | 0 | 0.005 | 0.014 | 69.455 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | B | 44 | LEU | 0 | 0.035 | 0.020 | 70.697 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | B | 45 | LEU | 0 | 0.024 | 0.012 | 64.573 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | B | 46 | PRO | 0 | 0.006 | 0.022 | 67.625 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | B | 47 | LEU | 0 | 0.000 | -0.001 | 61.242 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | B | 48 | THR | 0 | 0.021 | 0.018 | 62.739 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | B | 49 | TYR | 0 | -0.024 | -0.013 | 64.026 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | B | 50 | GLU | -1 | -0.884 | -0.957 | 66.581 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | B | 51 | ARG | 1 | 0.829 | 0.912 | 61.697 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | B | 52 | ILE | 0 | 0.049 | 0.024 | 65.664 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | B | 53 | ASN | 0 | 0.058 | 0.038 | 67.049 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | B | 54 | LYS | 1 | 1.010 | 0.985 | 66.269 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | B | 55 | SER | 0 | -0.058 | -0.022 | 62.022 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | B | 56 | MET | 0 | 0.000 | 0.025 | 62.195 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | B | 57 | ASN | 0 | -0.056 | -0.039 | 59.307 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | B | 58 | LYS | 1 | 0.954 | 0.973 | 61.017 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | B | 59 | SER | 0 | -0.050 | -0.034 | 58.033 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | B | 60 | ILE | 0 | 0.053 | 0.045 | 55.218 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | B | 61 | HIS | 0 | 0.030 | 0.017 | 55.255 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | B | 62 | ILE | 0 | -0.023 | -0.010 | 58.023 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | B | 63 | VAL | 0 | 0.008 | 0.017 | 54.573 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | B | 64 | VAL | 0 | -0.035 | -0.012 | 57.695 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | B | 65 | THR | 0 | 0.001 | -0.027 | 53.988 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | B | 66 | MET | 0 | -0.029 | 0.003 | 56.524 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | B | 67 | ALA | 0 | 0.011 | -0.009 | 53.665 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | B | 68 | LYS | 1 | 0.868 | 0.918 | 55.643 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | B | 69 | SER | 0 | -0.030 | -0.040 | 52.728 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | B | 70 | LEU | 0 | 0.012 | 0.006 | 51.351 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | B | 71 | GLU | -1 | -0.821 | -0.851 | 48.330 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | B | 72 | ASN | 0 | 0.019 | 0.003 | 44.900 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | B | 73 | SER | 0 | -0.015 | 0.014 | 47.437 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | B | 74 | VAL | 0 | 0.039 | 0.010 | 48.492 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | B | 75 | GLU | -1 | -0.797 | -0.856 | 49.963 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | B | 76 | ASN | 0 | 0.031 | 0.032 | 52.364 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | B | 77 | LYS | 1 | 0.888 | 0.949 | 53.981 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | B | 78 | ILE | 0 | -0.008 | 0.006 | 56.393 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | B | 79 | VAL | 0 | -0.014 | -0.024 | 59.687 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | B | 80 | SER | 0 | 0.050 | 0.024 | 57.025 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | B | 81 | LEU | 0 | -0.032 | -0.032 | 59.311 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | B | 82 | ASP | -1 | -0.730 | -0.872 | 59.141 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | B | 83 | PRO | 0 | -0.077 | -0.037 | 61.196 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | B | 84 | SER | 0 | -0.054 | -0.031 | 60.526 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | B | 85 | GLU | -1 | -0.925 | -0.977 | 59.186 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | B | 86 | ALA | 0 | -0.016 | -0.014 | 62.012 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | B | 87 | GLY | 0 | 0.012 | 0.022 | 63.913 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | B | 88 | PRO | 0 | -0.037 | -0.018 | 65.741 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | B | 89 | PRO | 0 | -0.052 | -0.031 | 63.785 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | B | 90 | ARG | 1 | 0.885 | 0.940 | 57.312 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | B | 91 | TYR | 0 | -0.011 | -0.021 | 61.406 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | B | 92 | LEU | 0 | -0.053 | -0.017 | 56.804 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | B | 93 | GLY | 0 | 0.031 | 0.024 | 60.085 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | B | 94 | ASP | -1 | -0.842 | -0.897 | 61.507 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | B | 95 | ARG | 1 | 0.769 | 0.852 | 64.080 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | B | 96 | TYR | 0 | -0.047 | -0.049 | 63.239 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | B | 97 | LYS | 1 | 0.926 | 0.967 | 67.210 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | B | 98 | PHE | 0 | 0.013 | 0.001 | 64.189 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | B | 99 | TYR | 0 | -0.007 | -0.005 | 67.262 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | B | 100 | LEU | 0 | 0.031 | 0.020 | 65.378 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | B | 101 | GLU | -1 | -0.858 | -0.931 | 67.751 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | B | 102 | ASN | 0 | -0.034 | -0.031 | 70.304 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | B | 103 | LEU | 0 | -0.045 | -0.014 | 63.704 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | B | 104 | THR | 0 | -0.055 | -0.045 | 66.013 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | B | 105 | LEU | 0 | 0.043 | 0.019 | 63.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | B | 106 | GLY | 0 | 0.005 | -0.007 | 66.900 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | B | 107 | ILE | 0 | 0.029 | 0.027 | 65.674 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | B | 108 | ARG | 1 | 0.803 | 0.900 | 68.900 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | B | 109 | GLU | -1 | -0.842 | -0.919 | 70.054 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | B | 110 | SER | 0 | -0.010 | -0.004 | 69.175 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | B | 111 | ARG | 1 | 0.947 | 0.944 | 67.977 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | B | 112 | LYS | 1 | 0.878 | 0.922 | 66.513 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | B | 113 | GLU | -1 | -0.811 | -0.876 | 60.547 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | B | 114 | ASP | -1 | -0.832 | -0.873 | 62.388 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | B | 115 | GLU | -1 | -0.749 | -0.866 | 62.888 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | B | 116 | GLY | 0 | 0.046 | 0.023 | 59.882 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | B | 117 | TRP | 0 | -0.024 | -0.018 | 55.425 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | B | 118 | TYR | 0 | -0.013 | -0.026 | 58.432 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | B | 119 | LEU | 0 | -0.010 | -0.014 | 54.101 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | B | 120 | MET | 0 | 0.030 | 0.018 | 58.029 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | B | 121 | THR | 0 | -0.030 | -0.010 | 52.731 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | B | 122 | LEU | 0 | 0.022 | 0.017 | 56.166 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | B | 123 | GLU | -1 | -0.782 | -0.885 | 53.126 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | B | 124 | LYS | 1 | 0.850 | 0.923 | 54.686 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | B | 125 | ASN | 0 | 0.082 | 0.035 | 53.963 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | B | 126 | VAL | 0 | -0.001 | 0.016 | 48.806 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | B | 127 | SER | 0 | -0.025 | -0.021 | 49.600 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | B | 128 | VAL | 0 | 0.017 | 0.021 | 51.081 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | B | 129 | GLN | 0 | 0.020 | 0.037 | 53.120 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | B | 130 | ARG | 1 | 0.799 | 0.870 | 51.802 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | B | 131 | PHE | 0 | -0.023 | -0.002 | 55.946 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | B | 133 | LEU | 0 | -0.002 | 0.009 | 59.286 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | B | 134 | GLN | 0 | 0.017 | 0.006 | 60.831 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | B | 135 | LEU | 0 | -0.007 | -0.003 | 62.623 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | B | 136 | ARG | 1 | 0.806 | 0.893 | 62.701 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | B | 137 | LEU | 0 | -0.001 | -0.008 | 67.193 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | B | 138 | NME | 0 | -0.006 | 0.008 | 69.774 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |