| Chain sequence(s) |
A: EGLTIDLKNFRKPGEKTFTQRSRLFVGNLPPDITEEEMRKLFEKYGKAGEVFIHKDKGFGFIRLETRTLAEIAKVELDNMPLRGKQLRVRFACHSASLTVRNLPQYVSNELLEEAFSVFGQVERAVVIVDDRGRPSGKGIVEFSGKPAARKALDRCSEGSFLLTTFPRPVTVEPMDQLDDEEGLPEKLVIKNQQFHKEREQPPRFAQPGSFEYEYAMRWKALIEMEKQQQDQVDRNIKEAREKLEMEMEAARHE
C: EGLTIDLKNFRKPGEKTFTQRSRLFVGNLPPDITEEEMRKLFEKYGKAGEVFIHKDKGFGFIRLETRTLAEIAKVELDNMPLRGKQLRVRFACHSASLTVRNLPQYVSNELLEEAFSVFGQVERAVVIVDDRGRPSGKGIVEFSGKPAARKALDRCSEGSFLLTTFPRPVTVEPMDQLDDEEGLPEKLVIKNQQFHKEREQPPRFAQPGSFEYEYAMRWKALIEMEKQQQDQVDRNIKEAREKLEMEMEAARHEHQ B: GLTIDLKNFRKPGEKTFTQRSRLFVGNLPPDITEEEMRKLFEKYGKAGEVFIHKDKGFGFIRLETRTLAEIAKVELDNMPLRGKQLRVRFACHSASLTVRNLPQYVSNELLEEAFSVFGQVERAVVIVDDRGRPSGKGIVEFSGKPAARKALDRCSEGSFLLTTFPRPVTVEPMDQLDDEEGLPEKLVIKNQQFHKEREQPPRFAQPGSFEYEYAMRWKALIEMEKQQQDQVDRNIKEAREKLEMEMEAARHEHQVMLM E: EGLTIDLKNFRKPGEKTFTQRSRLFVGNLPPDITEEEMRKLFEKYGKAGEVFIHKDKGFGFIRLETRTLAEIAKVELDNMPLRGKQLRVRFACHSASLTVRNLPQYVSNELLEEAFSVFGQVERAVVIVDDRGRPSGKGIVEFSGKPAARKALDRCSEGSFLLTTFPRPVTVEPMDQLDDEEGLPEKLVIKNQQFHKEREQPPRFAQPGSFEYEYAMRWKALIEMEKQQQDQVDRNIKEAREKLEMEMEAARHEHQ D: GEGLTIDLKNFRKPGEKTFTQRSRLFVGNLPPDITEEEMRKLFEKYGKAGEVFIHKDKGFGFIRLETRTLAEIAKVELDNMPLRGKQLRVRFACHSASLTVRNLPQYVSNELLEEAFSVFGQVERAVVIVDDRGRPSGKGIVEFSGKPAARKALDRCSEGSFLLTTFPRPVTVEPMDQLDDEEGLPEKLVIKNQQFHKEREQPPRFAQPGSFEYEYAMRWKALIEMEKQQQDQVDRNIKEAREKLEMEMEAARHEHQ G: EGLTIDLKNFRKPGEKTFTQRSRLFVGNLPPDITEEEMRKLFEKYGKAGEVFIHKDKGFGFIRLETRTLAEIAKVELDNMPLRGKQLRVRFACHSASLTVRNLPQYVSNELLEEAFSVFGQVERAVVIVDDRGRPSGKGIVEFSGKPAARKALDRCSEGSFLLTTFPRPVTVEPMDQLDDEEGLPEKLVIKNQQFHKEREQPPRFAQPGSFEYEYAMRWKALIEMEKQQQDQVDRNIKEAREKLEMEMEAARHEH F: GLTIDLKNFRKPGEKTFTQRSRLFVGNLPPDITEEEMRKLFEKYGKAGEVFIHKDKGFGFIRLETRTLAEIAKVELDNMPLRGKQLRVRFACHSASLTVRNLPQYVSNELLEEAFSVFGQVERAVVIVDDRGRPSGKGIVEFSGKPAARKALDRCSEGSFLLTTFPRPVTVEPMDQLDDEEGLPEKLVIKNQQFHKEREQPPRFAQPGSFEYEYAMRWKALIEMEKQQQDQVDRNIKEAREKLEMEMEAARHEHQ I: EGLTIDLKNFRKPGEKTFTQRSRLFVGNLPPDITEEEMRKLFEKYGKAGEVFIHKDKGFGFIRLETRTLAEIAKVELDNMPLRGKQLRVRFACHSASLTVRNLPQYVSNELLEEAFSVFGQVERAVVIVDDRGRPSGKGIVEFSGKPAARKALDRCSEGSFLLTTFPRPVTVEPMDQLDDEEGLPEKLVIKNQQFHKEREQPPRFAQPGSFEYEYAMRWKALIEMEKQQQDQVDRNIKEAREKLEMEMEAARHEH H: GLTIDLKNFRKPGEKTFTQRSRLFVGNLPPDITEEEMRKLFEKYGKAGEVFIHKDKGFGFIRLETRTLAEIAKVELDNMPLRGKQLRVRFACHSASLTVRNLPQYVSNELLEEAFSVFGQVERAVVIVDDRGRPSGKGIVEFSGKPAARKALDRCSEGSFLLTTFPRPVTVEPMDQLDDEEGLPEKLVIKNQQFHKEREQPPRFAQPGSFEYEYAMRWKALIEMEKQQQDQVDRNIKEAREKLEMEMEAARHEHQVM K: GLTIDLKNFRKPGEKTFTQRSRLFVGNLPPDITEEEMRKLFEKYGKAGEVFIHKDKGFGFIRLETRTLAEIAKVELDNMPLRGKQLRVRFACHSASLTVRNLPQYVSNELLEEAFSVFGQVERAVVIVDDRGRPSGKGIVEFSGKPAARKALDRCSEGSFLLTTFPRPVTVEPMDQLDDEEGLPEKLVIKNQQFHKEREQPPRFAQPGSFEYEYAMRWKALIEMEKQQQDQVDRNIKEAREKLEMEMEAARHEHQVMLM J: GLTIDLKNFRKPGEKTFTQRSRLFVGNLPPDITEEEMRKLFEKYGKAGEVFIHKDKGFGFIRLETRTLAEIAKVELDNMPLRGKQLRVRFACHSASLTVRNLPQYVSNELLEEAFSVFGQVERAVVIVDDRGRPSGKGIVEFSGKPAARKALDRCSEGSFLLTTFPRPVTVEPMDQLDDEEGLPEKLVIKNQQFHKEREQPPRFAQPGSFEYEYAMRWKALIEMEKQQQDQVDRNIKEAREKLEMEMEAARHEHQVMLM L: EGLTIDLKNFRKPGEKTFTQRSRLFVGNLPPDITEEEMRKLFEKYGKAGEVFIHKDKGFGFIRLETRTLAEIAKVELDNMPLRGKQLRVRFACHSASLTVRNLPQYVSNELLEEAFSVFGQVERAVVIVDDRGRPSGKGIVEFSGKPAARKALDRCSEGSFLLTTFPRPVTVEPMDQLDDEEGLPEKLVIKNQQFHKEREQPPRFAQPGSFEYEYAMRWKALIEMEKQQQDQVDRNIKEAREKLEMEMEAARHEH input PDB |
| Selected Chain(s) | A,C,B,E,D,G,F,I,H,K,J,L |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:03)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:03)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:03)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:03)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:23)
[INFO] FoldX: Starting FoldX energy minimization (00:00:24)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (02:41:08)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/d13604543905f2f/tmp/folded.pdb (02:41:08)
[INFO] Main: Simulation completed successfully. (03:43:05)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 53 | E | A | -2.5535 | |
| 54 | G | A | -2.1232 | |
| 55 | L | A | -1.1892 | |
| 56 | T | A | -1.5098 | |
| 57 | I | A | 0.0000 | |
| 58 | D | A | -2.5864 | |
| 59 | L | A | 0.0000 | |
| 60 | K | A | -2.5853 | |
| 61 | N | A | -1.9341 | |
| 62 | F | A | -1.3137 | |
| 63 | R | A | -2.1436 | |
| 64 | K | A | -1.6321 | |
| 65 | P | A | -1.4276 | |
| 66 | G | A | -1.3512 | |
| 67 | E | A | -1.5186 | |
| 68 | K | A | -1.4561 | |
| 69 | T | A | -0.8875 | |
| 70 | F | A | -0.5833 | |
| 71 | T | A | 0.0000 | |
| 72 | Q | A | 0.0000 | |
| 73 | R | A | -0.5683 | |
| 74 | S | A | 0.0000 | |
| 75 | R | A | -0.6011 | |
| 76 | L | A | 0.0000 | |
| 77 | F | A | 0.0000 | |
| 78 | V | A | 0.0000 | |
| 79 | G | A | 0.0000 | |
| 80 | N | A | -1.4673 | |
| 81 | L | A | 0.0000 | |
| 82 | P | A | 0.0000 | |
| 83 | P | A | -1.8017 | |
| 84 | D | A | -2.0282 | |
| 85 | I | A | -1.7141 | |
| 86 | T | A | -2.0911 | |
| 87 | E | A | -2.9296 | |
| 88 | E | A | -3.7301 | |
| 89 | E | A | -2.9699 | |
| 90 | M | A | 0.0000 | |
| 91 | R | A | -3.6640 | |
| 92 | K | A | -3.6749 | |
| 93 | L | A | -1.8528 | |
| 94 | F | A | 0.0000 | |
| 95 | E | A | -3.5143 | |
| 96 | K | A | -2.1108 | |
| 97 | Y | A | 0.0000 | |
| 98 | G | A | -1.6789 | |
| 99 | K | A | -2.4344 | |
| 100 | A | A | -1.6544 | |
| 101 | G | A | -0.8854 | |
| 102 | E | A | -0.3872 | |
| 103 | V | A | -0.3564 | |
| 104 | F | A | 0.4662 | |
| 105 | I | A | -0.2930 | |
| 106 | H | A | -1.4196 | |
| 107 | K | A | -2.5998 | |
| 108 | D | A | -2.9443 | |
| 109 | K | A | -2.2183 | |
| 110 | G | A | -1.5537 | |
| 111 | F | A | 0.0000 | |
| 112 | G | A | 0.0000 | |
| 113 | F | A | 0.0000 | |
| 114 | I | A | 0.0000 | |
| 115 | R | A | -0.7648 | |
| 116 | L | A | 0.0000 | |
| 117 | E | A | -1.2310 | |
| 118 | T | A | 0.0000 | |
| 119 | R | A | -0.9564 | |
| 120 | T | A | -0.8625 | |
| 121 | L | A | 0.0000 | |
| 122 | A | A | 0.0000 | |
| 123 | E | A | -0.7911 | |
| 124 | I | A | 0.0000 | |
| 125 | A | A | 0.0000 | |
| 126 | K | A | -0.7443 | |
| 127 | V | A | -1.0943 | |
| 128 | E | A | 0.0000 | |
| 129 | L | A | 0.0000 | |
| 130 | D | A | -1.3731 | |
| 131 | N | A | -1.9396 | |
| 132 | M | A | -1.3398 | |
| 133 | P | A | -1.5720 | |
| 134 | L | A | -1.4241 | |
| 135 | R | A | -2.2214 | |
| 136 | G | A | -1.7759 | |
| 137 | K | A | -2.2204 | |
| 138 | Q | A | -2.2903 | |
| 139 | L | A | 0.0000 | |
| 140 | R | A | -1.3825 | |
| 141 | V | A | 0.0000 | |
| 142 | R | A | -0.6293 | |
| 143 | F | A | -0.1689 | |
| 144 | A | A | 0.0000 | |
| 145 | C | A | -0.1971 | |
| 146 | H | A | -0.1955 | |
| 147 | S | A | -0.4150 | |
| 148 | A | A | 0.0000 | |
| 149 | S | A | 0.0000 | |
| 150 | L | A | 0.0000 | |
| 151 | T | A | -0.7798 | |
| 152 | V | A | 0.0000 | |
| 153 | R | A | -1.1638 | |
| 154 | N | A | -0.8804 | |
| 155 | L | A | 0.0000 | |
| 156 | P | A | 0.0000 | |
| 157 | Q | A | -1.1977 | |
| 158 | Y | A | -0.8053 | |
| 159 | V | A | 0.0000 | |
| 160 | S | A | 0.0000 | |
| 161 | N | A | -1.0235 | |
| 162 | E | A | -1.7847 | |
| 163 | L | A | -1.2244 | |
| 164 | L | A | 0.0000 | |
| 165 | E | A | -1.8334 | |
| 166 | E | A | -2.0336 | |
| 167 | A | A | 0.0000 | |
| 168 | F | A | 0.0000 | |
| 169 | S | A | -0.4717 | |
| 170 | V | A | 0.8642 | |
| 171 | F | A | 0.0000 | |
| 172 | G | A | -0.5169 | |
| 173 | Q | A | -1.1745 | |
| 174 | V | A | 0.0000 | |
| 175 | E | A | 0.0000 | |
| 176 | R | A | -1.0989 | |
| 177 | A | A | 0.0000 | |
| 178 | V | A | 0.0000 | |
| 179 | V | A | 0.0000 | |
| 180 | I | A | -1.2084 | |
| 181 | V | A | 0.0000 | |
| 182 | D | A | -2.8254 | |
| 183 | D | A | -3.6321 | |
| 184 | R | A | -3.6802 | |
| 185 | G | A | -2.6301 | |
| 186 | R | A | -2.9536 | |
| 187 | P | A | -1.9058 | |
| 188 | S | A | -1.2803 | |
| 189 | G | A | -1.2794 | |
| 190 | K | A | -1.3869 | |
| 191 | G | A | 0.0000 | |
| 192 | I | A | 0.0000 | |
| 193 | V | A | 0.0000 | |
| 194 | E | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | S | A | -0.6419 | |
| 197 | G | A | -0.7200 | |
| 198 | K | A | -1.2234 | |
| 199 | P | A | -1.1839 | |
| 200 | A | A | -1.1059 | |
| 201 | A | A | 0.0000 | |
| 202 | R | A | -2.1853 | |
| 203 | K | A | -2.3838 | |
| 204 | A | A | 0.0000 | |
| 205 | L | A | -1.9965 | |
| 206 | D | A | -3.4389 | |
| 207 | R | A | -3.1453 | |
| 208 | C | A | 0.0000 | |
| 209 | S | A | -2.0771 | |
| 210 | E | A | -2.8285 | |
| 211 | G | A | -1.6746 | |
| 212 | S | A | 0.0000 | |
| 213 | F | A | 0.0000 | |
| 214 | L | A | 0.0000 | |
| 215 | L | A | 0.0000 | |
| 216 | T | A | 0.0000 | |
| 217 | T | A | -1.3536 | |
| 218 | F | A | -0.3469 | |
| 219 | P | A | 0.0000 | |
| 220 | R | A | -0.2915 | |
| 221 | P | A | 0.0000 | |
| 222 | V | A | 0.0000 | |
| 223 | T | A | -0.4866 | |
| 224 | V | A | -0.7415 | |
| 225 | E | A | -1.1337 | |
| 226 | P | A | -0.9400 | |
| 227 | M | A | -0.9851 | |
| 228 | D | A | -2.1553 | |
| 229 | Q | A | -1.6397 | |
| 230 | L | A | -1.5368 | |
| 231 | D | A | -2.1481 | |
| 232 | D | A | -2.3642 | |
| 233 | E | A | -2.7164 | |
| 234 | E | A | -2.1635 | |
| 235 | G | A | 0.0000 | |
| 236 | L | A | -1.0339 | |
| 237 | P | A | 0.0000 | |
| 238 | E | A | -1.0837 | |
| 239 | K | A | -1.4421 | |
| 240 | L | A | 0.4191 | |
| 241 | V | A | 0.1973 | |
| 242 | I | A | 0.3343 | |
| 243 | K | A | -0.7212 | |
| 244 | N | A | -0.9582 | |
| 245 | Q | A | -0.8540 | |
| 246 | Q | A | 0.0000 | |
| 247 | F | A | 0.0000 | |
| 248 | H | A | 0.0000 | |
| 249 | K | A | -1.2962 | |
| 250 | E | A | 0.0000 | |
| 251 | R | A | -1.0313 | |
| 252 | E | A | -1.1761 | |
| 253 | Q | A | -0.9050 | |
| 254 | P | A | -0.8041 | |
| 255 | P | A | -0.4467 | |
| 256 | R | A | -0.2416 | |
| 257 | F | A | -0.5945 | |
| 258 | A | A | 0.0000 | |
| 259 | Q | A | -1.4511 | |
| 260 | P | A | -1.0778 | |
| 261 | G | A | -0.9518 | |
| 262 | S | A | -0.6042 | |
| 263 | F | A | -0.0546 | |
| 264 | E | A | -0.5162 | |
| 265 | Y | A | -0.7452 | |
| 266 | E | A | -1.3341 | |
| 267 | Y | A | -0.8614 | |
| 268 | A | A | 0.0000 | |
| 269 | M | A | -0.5780 | |
| 270 | R | A | -1.2406 | |
| 271 | W | A | 0.0000 | |
| 272 | K | A | -0.8318 | |
| 273 | A | A | -0.7579 | |
| 274 | L | A | -0.7356 | |
| 275 | I | A | 0.0000 | |
| 276 | E | A | -2.2895 | |
| 277 | M | A | -1.3298 | |
| 278 | E | A | 0.0000 | |
| 279 | K | A | -3.2205 | |
| 280 | Q | A | -3.2990 | |
| 281 | Q | A | -2.8371 | |
| 282 | Q | A | -3.2769 | |
| 283 | D | A | -3.7564 | |
| 284 | Q | A | -3.8122 | |
| 285 | V | A | 0.0000 | |
| 286 | D | A | -3.6997 | |
| 287 | R | A | -4.2884 | |
| 288 | N | A | -3.2507 | |
| 289 | I | A | -3.0388 | |
| 290 | K | A | -4.3599 | |
| 291 | E | A | -4.3497 | |
| 292 | A | A | -3.0101 | |
| 293 | R | A | -2.9781 | |
| 294 | E | A | -3.8960 | |
| 295 | K | A | -3.7513 | |
| 296 | L | A | 0.0000 | |
| 297 | E | A | -2.2477 | |
| 298 | M | A | -1.8425 | |
| 299 | E | A | -2.6747 | |
| 300 | M | A | 0.0000 | |
| 301 | E | A | -2.7933 | |
| 302 | A | A | -1.6727 | |
| 303 | A | A | -1.5071 | |
| 304 | R | A | -2.5956 | |
| 305 | H | A | -2.5546 | |
| 306 | E | A | -2.5556 | |
| 54 | G | B | -1.4533 | |
| 55 | L | B | -0.9641 | |
| 56 | T | B | -1.3292 | |
| 57 | I | B | 0.0000 | |
| 58 | D | B | -2.0611 | |
| 59 | L | B | 0.0000 | |
| 60 | K | B | -2.8208 | |
| 61 | N | B | -1.9799 | |
| 62 | F | B | -1.5603 | |
| 63 | R | B | -2.6212 | |
| 64 | K | B | -2.0308 | |
| 65 | P | B | -1.6087 | |
| 66 | G | B | -1.4953 | |
| 67 | E | B | -1.6639 | |
| 68 | K | B | -1.4475 | |
| 69 | T | B | -0.9439 | |
| 70 | F | B | -0.5147 | |
| 71 | T | B | -0.4213 | |
| 72 | Q | B | 0.0000 | |
| 73 | R | B | -0.6195 | |
| 74 | S | B | 0.0000 | |
| 75 | R | B | 0.0000 | |
| 76 | L | B | 0.0000 | |
| 77 | F | B | 0.2193 | |
| 78 | V | B | 0.0000 | |
| 79 | G | B | 0.0000 | |
| 80 | N | B | -2.4437 | |
| 81 | L | B | 0.0000 | |
| 82 | P | B | 0.0000 | |
| 83 | P | B | -2.4463 | |
| 84 | D | B | -2.4954 | |
| 85 | I | B | -1.9738 | |
| 86 | T | B | -2.4187 | |
| 87 | E | B | -3.1383 | |
| 88 | E | B | -3.8896 | |
| 89 | E | B | -3.1196 | |
| 90 | M | B | 0.0000 | |
| 91 | R | B | -4.0465 | |
| 92 | K | B | -3.9260 | |
| 93 | L | B | -2.2841 | |
| 94 | F | B | 0.0000 | |
| 95 | E | B | -3.8235 | |
| 96 | K | B | -2.8104 | |
| 97 | Y | B | 0.0000 | |
| 98 | G | B | -1.8142 | |
| 99 | K | B | -2.5093 | |
| 100 | A | B | -1.6475 | |
| 101 | G | B | -0.8840 | |
| 102 | E | B | -0.5415 | |
| 103 | V | B | -0.6858 | |
| 104 | F | B | -0.0622 | |
| 105 | I | B | -0.7463 | |
| 106 | H | B | 0.0000 | |
| 107 | K | B | -3.0792 | |
| 108 | D | B | -3.6591 | |
| 109 | K | B | -3.2724 | |
| 110 | G | B | -2.2287 | |
| 111 | F | B | -1.1719 | |
| 112 | G | B | 0.0000 | |
| 113 | F | B | 0.0000 | |
| 114 | I | B | 0.0000 | |
| 115 | R | B | -0.6001 | |
| 116 | L | B | 0.0000 | |
| 117 | E | B | -1.2973 | |
| 118 | T | B | 0.0000 | |
| 119 | R | B | -1.1022 | |
| 120 | T | B | 0.0000 | |
| 121 | L | B | 0.0000 | |
| 122 | A | B | 0.0000 | |
| 123 | E | B | -0.8816 | |
| 124 | I | B | 0.0000 | |
| 125 | A | B | 0.0000 | |
| 126 | K | B | -0.8836 | |
| 127 | V | B | 0.0000 | |
| 128 | E | B | 0.0000 | |
| 129 | L | B | 0.0000 | |
| 130 | D | B | -1.6603 | |
| 131 | N | B | -2.3617 | |
| 132 | M | B | -1.4161 | |
| 133 | P | B | -1.8540 | |
| 134 | L | B | -1.6669 | |
| 135 | R | B | -2.5481 | |
| 136 | G | B | -2.0334 | |
| 137 | K | B | -2.5994 | |
| 138 | Q | B | -2.7937 | |
| 139 | L | B | 0.0000 | |
| 140 | R | B | -2.3335 | |
| 141 | V | B | 0.0000 | |
| 142 | R | B | -0.5082 | |
| 143 | F | B | 0.1429 | |
| 144 | A | B | 0.2875 | |
| 145 | C | B | -0.0995 | |
| 146 | H | B | 0.0000 | |
| 147 | S | B | -0.3110 | |
| 148 | A | B | 0.0000 | |
| 149 | S | B | 0.0000 | |
| 150 | L | B | 0.0000 | |
| 151 | T | B | -0.8609 | |
| 152 | V | B | 0.0000 | |
| 153 | R | B | -1.1671 | |
| 154 | N | B | -0.8058 | |
| 155 | L | B | 0.0000 | |
| 156 | P | B | 0.0000 | |
| 157 | Q | B | -0.7990 | |
| 158 | Y | B | 0.0000 | |
| 159 | V | B | 0.0000 | |
| 160 | S | B | 0.0000 | |
| 161 | N | B | -1.4538 | |
| 162 | E | B | -2.3439 | |
| 163 | L | B | 0.0000 | |
| 164 | L | B | 0.0000 | |
| 165 | E | B | -1.9891 | |
| 166 | E | B | -2.2031 | |
| 167 | A | B | 0.0000 | |
| 168 | F | B | 0.0000 | |
| 169 | S | B | -0.4914 | |
| 170 | V | B | 0.8589 | |
| 171 | F | B | 0.0000 | |
| 172 | G | B | -0.5321 | |
| 173 | Q | B | -1.1392 | |
| 174 | V | B | 0.0000 | |
| 175 | E | B | 0.0000 | |
| 176 | R | B | -1.0336 | |
| 177 | A | B | 0.0000 | |
| 178 | V | B | 0.0000 | |
| 179 | V | B | 0.0000 | |
| 180 | I | B | -1.3953 | |
| 181 | V | B | 0.0000 | |
| 182 | D | B | -2.2605 | |
| 183 | D | B | -2.2708 | |
| 184 | R | B | -1.9434 | |
| 185 | G | B | -1.7717 | |
| 186 | R | B | -2.4520 | |
| 187 | P | B | -1.6326 | |
| 188 | S | B | -1.0891 | |
| 189 | G | B | -1.1692 | |
| 190 | K | B | -1.4860 | |
| 191 | G | B | 0.0000 | |
| 192 | I | B | 0.0000 | |
| 193 | V | B | 0.0000 | |
| 194 | E | B | 0.0000 | |
| 195 | F | B | 0.0000 | |
| 196 | S | B | -0.6288 | |
| 197 | G | B | 0.0000 | |
| 198 | K | B | -0.9053 | |
| 199 | P | B | -1.1524 | |
| 200 | A | B | 0.0000 | |
| 201 | A | B | 0.0000 | |
| 202 | R | B | -1.4783 | |
| 203 | K | B | -1.9440 | |
| 204 | A | B | 0.0000 | |
| 205 | L | B | 0.0000 | |
| 206 | D | B | -1.9441 | |
| 207 | R | B | -2.3786 | |
| 208 | C | B | 0.0000 | |
| 209 | S | B | -1.2938 | |
| 210 | E | B | -1.8218 | |
| 211 | G | B | -1.2949 | |
| 212 | S | B | 0.0000 | |
| 213 | F | B | 0.0000 | |
| 214 | L | B | 0.0000 | |
| 215 | L | B | 0.0000 | |
| 216 | T | B | 0.0000 | |
| 217 | T | B | 0.0000 | |
| 218 | F | B | 0.0000 | |
| 219 | P | B | 0.0000 | |
| 220 | R | B | -0.4910 | |
| 221 | P | B | 0.0000 | |
| 222 | V | B | 0.0000 | |
| 223 | T | B | -0.5938 | |
| 224 | V | B | 0.0000 | |
| 225 | E | B | -1.2895 | |
| 226 | P | B | -1.0289 | |
| 227 | M | B | -0.9214 | |
| 228 | D | B | -2.2105 | |
| 229 | Q | B | -1.8460 | |
| 230 | L | B | -1.6914 | |
| 231 | D | B | -2.1028 | |
| 232 | D | B | -1.8479 | |
| 233 | E | B | -1.9539 | |
| 234 | E | B | -1.6307 | |
| 235 | G | B | 0.0000 | |
| 236 | L | B | -0.8000 | |
| 237 | P | B | 0.0000 | |
| 238 | E | B | -0.7706 | |
| 239 | K | B | -1.0763 | |
| 240 | L | B | 0.8289 | |
| 241 | V | B | 0.0000 | |
| 242 | I | B | 1.2450 | |
| 243 | K | B | -0.8137 | |
| 244 | N | B | -1.4991 | |
| 245 | Q | B | -2.5639 | |
| 246 | Q | B | -2.6706 | |
| 247 | F | B | 0.0000 | |
| 248 | H | B | -3.4847 | |
| 249 | K | B | -3.6628 | |
| 250 | E | B | -2.7066 | |
| 251 | R | B | -2.5023 | |
| 252 | E | B | -3.1318 | |
| 253 | Q | B | -1.9502 | |
| 254 | P | B | -1.2346 | |
| 255 | P | B | -0.4287 | |
| 256 | R | B | -0.1862 | |
| 257 | F | B | -0.3023 | |
| 258 | A | B | 0.0000 | |
| 259 | Q | B | -1.4293 | |
| 260 | P | B | -1.0943 | |
| 261 | G | B | -0.9552 | |
| 262 | S | B | -0.5262 | |
| 263 | F | B | -0.0456 | |
| 264 | E | B | -0.3933 | |
| 265 | Y | B | -0.8527 | |
| 266 | E | B | -1.7109 | |
| 267 | Y | B | 0.0000 | |
| 268 | A | B | 0.0000 | |
| 269 | M | B | -0.6026 | |
| 270 | R | B | -1.1251 | |
| 271 | W | B | 0.0000 | |
| 272 | K | B | -0.8853 | |
| 273 | A | B | -0.7405 | |
| 274 | L | B | -0.7205 | |
| 275 | I | B | 0.0000 | |
| 276 | E | B | -2.4427 | |
| 277 | M | B | -1.4260 | |
| 278 | E | B | 0.0000 | |
| 279 | K | B | -3.0135 | |
| 280 | Q | B | -3.2278 | |
| 281 | Q | B | -2.5935 | |
| 282 | Q | B | -3.2284 | |
| 283 | D | B | -3.8981 | |
| 284 | Q | B | -3.9574 | |
| 285 | V | B | 0.0000 | |
| 286 | D | B | -3.8695 | |
| 287 | R | B | -4.6734 | |
| 288 | N | B | -4.0213 | |
| 289 | I | B | -3.3857 | |
| 290 | K | B | -4.6447 | |
| 291 | E | B | -4.8070 | |
| 292 | A | B | -3.3401 | |
| 293 | R | B | -3.3971 | |
| 294 | E | B | -3.9955 | |
| 295 | K | B | -3.5501 | |
| 296 | L | B | 0.0000 | |
| 297 | E | B | -2.2566 | |
| 298 | M | B | -1.2462 | |
| 299 | E | B | -1.8798 | |
| 300 | M | B | 0.0000 | |
| 301 | E | B | -1.1521 | |
| 302 | A | B | -0.9303 | |
| 303 | A | B | -0.8507 | |
| 304 | R | B | 0.0000 | |
| 305 | H | B | -1.3159 | |
| 306 | E | B | -1.0685 | |
| 307 | H | B | -0.2108 | |
| 308 | Q | B | 0.3880 | |
| 309 | V | B | 0.6213 | |
| 310 | M | B | 1.8637 | |
| 311 | L | B | 2.3372 | |
| 312 | M | B | 2.0462 | |
| 53 | E | C | -2.5351 | |
| 54 | G | C | -2.1258 | |
| 55 | L | C | -1.3175 | |
| 56 | T | C | -1.8065 | |
| 57 | I | C | 0.0000 | |
| 58 | D | C | -2.6421 | |
| 59 | L | C | 0.0000 | |
| 60 | K | C | -2.6569 | |
| 61 | N | C | -1.9323 | |
| 62 | F | C | -1.3610 | |
| 63 | R | C | -2.3673 | |
| 64 | K | C | -1.6652 | |
| 65 | P | C | -1.2877 | |
| 66 | G | C | -1.6818 | |
| 67 | E | C | -2.0922 | |
| 68 | K | C | -2.1124 | |
| 69 | T | C | -1.1469 | |
| 70 | F | C | -0.4192 | |
| 71 | T | C | -0.5751 | |
| 72 | Q | C | 0.0000 | |
| 73 | R | C | -0.7263 | |
| 74 | S | C | 0.0000 | |
| 75 | R | C | -0.4930 | |
| 76 | L | C | 0.0000 | |
| 77 | F | C | 0.0000 | |
| 78 | V | C | 0.0000 | |
| 79 | G | C | 0.0000 | |
| 80 | N | C | -1.4994 | |
| 81 | L | C | 0.0000 | |
| 82 | P | C | 0.0000 | |
| 83 | P | C | -2.0971 | |
| 84 | D | C | -2.2920 | |
| 85 | I | C | -1.6648 | |
| 86 | T | C | -2.1308 | |
| 87 | E | C | -2.9214 | |
| 88 | E | C | -3.7382 | |
| 89 | E | C | -2.9453 | |
| 90 | M | C | 0.0000 | |
| 91 | R | C | -3.6963 | |
| 92 | K | C | -3.8248 | |
| 93 | L | C | -2.2502 | |
| 94 | F | C | 0.0000 | |
| 95 | E | C | -3.7794 | |
| 96 | K | C | -2.8634 | |
| 97 | Y | C | 0.0000 | |
| 98 | G | C | -1.9923 | |
| 99 | K | C | -2.2245 | |
| 100 | A | C | -1.3031 | |
| 101 | G | C | -0.6701 | |
| 102 | E | C | -0.3198 | |
| 103 | V | C | -0.3019 | |
| 104 | F | C | 0.5653 | |
| 105 | I | C | -0.3345 | |
| 106 | H | C | -1.4419 | |
| 107 | K | C | -2.6195 | |
| 108 | D | C | -3.1744 | |
| 109 | K | C | -2.2931 | |
| 110 | G | C | -1.6175 | |
| 111 | F | C | 0.0000 | |
| 112 | G | C | 0.0000 | |
| 113 | F | C | 0.4664 | |
| 114 | I | C | 0.0000 | |
| 115 | R | C | -0.5777 | |
| 116 | L | C | 0.0000 | |
| 117 | E | C | 0.0000 | |
| 118 | T | C | -1.0316 | |
| 119 | R | C | -0.8944 | |
| 120 | T | C | 0.0000 | |
| 121 | L | C | 0.0000 | |
| 122 | A | C | 0.0000 | |
| 123 | E | C | -0.5988 | |
| 124 | I | C | 0.0000 | |
| 125 | A | C | 0.0000 | |
| 126 | K | C | -0.7101 | |
| 127 | V | C | -1.0387 | |
| 128 | E | C | -1.2991 | |
| 129 | L | C | 0.0000 | |
| 130 | D | C | -1.2434 | |
| 131 | N | C | -1.7948 | |
| 132 | M | C | -1.2158 | |
| 133 | P | C | -1.6869 | |
| 134 | L | C | -1.6174 | |
| 135 | R | C | -2.6184 | |
| 136 | G | C | -1.9923 | |
| 137 | K | C | -2.3887 | |
| 138 | Q | C | -2.5095 | |
| 139 | L | C | 0.0000 | |
| 140 | R | C | -1.3784 | |
| 141 | V | C | 0.0000 | |
| 142 | R | C | -0.4202 | |
| 143 | F | C | -0.0796 | |
| 144 | A | C | 0.0000 | |
| 145 | C | C | -0.0883 | |
| 146 | H | C | 0.0000 | |
| 147 | S | C | -0.2918 | |
| 148 | A | C | 0.0000 | |
| 149 | S | C | 0.0000 | |
| 150 | L | C | 0.0000 | |
| 151 | T | C | -1.1841 | |
| 152 | V | C | 0.0000 | |
| 153 | R | C | -2.0995 | |
| 154 | N | C | -1.2575 | |
| 155 | L | C | -0.9320 | |
| 156 | P | C | 0.0000 | |
| 157 | Q | C | -0.4938 | |
| 158 | Y | C | -0.4124 | |
| 159 | V | C | 0.0000 | |
| 160 | S | C | 0.0000 | |
| 161 | N | C | -1.5058 | |
| 162 | E | C | -2.5154 | |
| 163 | L | C | 0.0000 | |
| 164 | L | C | 0.0000 | |
| 165 | E | C | -2.5625 | |
| 166 | E | C | -2.5859 | |
| 167 | A | C | 0.0000 | |
| 168 | F | C | 0.0000 | |
| 169 | S | C | -0.6554 | |
| 170 | V | C | 0.7781 | |
| 171 | F | C | 0.0000 | |
| 172 | G | C | -0.5930 | |
| 173 | Q | C | -1.4781 | |
| 174 | V | C | 0.0000 | |
| 175 | E | C | -1.2807 | |
| 176 | R | C | -1.4810 | |
| 177 | A | C | -1.4918 | |
| 178 | V | C | 0.0000 | |
| 179 | V | C | 0.0000 | |
| 180 | I | C | -1.4086 | |
| 181 | V | C | 0.0000 | |
| 182 | D | C | -2.8347 | |
| 183 | D | C | -2.9671 | |
| 184 | R | C | -3.1702 | |
| 185 | G | C | -2.2075 | |
| 186 | R | C | -2.4748 | |
| 187 | P | C | -1.5417 | |
| 188 | S | C | -1.1351 | |
| 189 | G | C | -1.2902 | |
| 190 | K | C | -1.7935 | |
| 191 | G | C | 0.0000 | |
| 192 | I | C | 0.0000 | |
| 193 | V | C | 0.0000 | |
| 194 | E | C | 0.0000 | |
| 195 | F | C | 0.0000 | |
| 196 | S | C | -0.7233 | |
| 197 | G | C | -0.7324 | |
| 198 | K | C | -1.0664 | |
| 199 | P | C | -1.1400 | |
| 200 | A | C | -1.2815 | |
| 201 | A | C | 0.0000 | |
| 202 | R | C | -2.5699 | |
| 203 | K | C | -2.5110 | |
| 204 | A | C | 0.0000 | |
| 205 | L | C | -1.9305 | |
| 206 | D | C | -2.7269 | |
| 207 | R | C | -2.9083 | |
| 208 | C | C | 0.0000 | |
| 209 | S | C | -1.8533 | |
| 210 | E | C | -2.5933 | |
| 211 | G | C | -1.6768 | |
| 212 | S | C | 0.0000 | |
| 213 | F | C | 0.0000 | |
| 214 | L | C | 0.0000 | |
| 215 | L | C | 0.0000 | |
| 216 | T | C | 0.0000 | |
| 217 | T | C | -1.1237 | |
| 218 | F | C | 0.0000 | |
| 219 | P | C | 0.0000 | |
| 220 | R | C | -0.4080 | |
| 221 | P | C | 0.0000 | |
| 222 | V | C | 0.0000 | |
| 223 | T | C | -0.9776 | |
| 224 | V | C | 0.0000 | |
| 225 | E | C | -1.6285 | |
| 226 | P | C | -1.2437 | |
| 227 | M | C | -1.1222 | |
| 228 | D | C | -2.1877 | |
| 229 | Q | C | -1.6744 | |
| 230 | L | C | -1.4142 | |
| 231 | D | C | -2.0927 | |
| 232 | D | C | -2.0796 | |
| 233 | E | C | -2.4985 | |
| 234 | E | C | -2.1268 | |
| 235 | G | C | 0.0000 | |
| 236 | L | C | -0.9814 | |
| 237 | P | C | 0.0000 | |
| 238 | E | C | -1.1737 | |
| 239 | K | C | -1.5871 | |
| 240 | L | C | 0.0479 | |
| 241 | V | C | 0.0475 | |
| 242 | I | C | 0.1355 | |
| 243 | K | C | -0.7059 | |
| 244 | N | C | -1.0589 | |
| 245 | Q | C | -1.1198 | |
| 246 | Q | C | -1.6701 | |
| 247 | F | C | 0.0000 | |
| 248 | H | C | 0.0000 | |
| 249 | K | C | -1.8313 | |
| 250 | E | C | -1.6951 | |
| 251 | R | C | -1.7553 | |
| 252 | E | C | -2.5178 | |
| 253 | Q | C | -1.9872 | |
| 254 | P | C | -1.3897 | |
| 255 | P | C | -0.6920 | |
| 256 | R | C | -0.3027 | |
| 257 | F | C | -0.5271 | |
| 258 | A | C | 0.0000 | |
| 259 | Q | C | -1.4967 | |
| 260 | P | C | -1.1707 | |
| 261 | G | C | -1.0719 | |
| 262 | S | C | -0.7890 | |
| 263 | F | C | -0.4544 | |
| 264 | E | C | -0.7065 | |
| 265 | Y | C | -1.0301 | |
| 266 | E | C | -1.9457 | |
| 267 | Y | C | 0.0000 | |
| 268 | A | C | 0.0000 | |
| 269 | M | C | -0.7220 | |
| 270 | R | C | -1.3105 | |
| 271 | W | C | 0.0000 | |
| 272 | K | C | -0.8812 | |
| 273 | A | C | -0.7889 | |
| 274 | L | C | -0.7128 | |
| 275 | I | C | -1.1581 | |
| 276 | E | C | -2.4898 | |
| 277 | M | C | -1.4133 | |
| 278 | E | C | 0.0000 | |
| 279 | K | C | -3.4459 | |
| 280 | Q | C | -3.2884 | |
| 281 | Q | C | -2.6359 | |
| 282 | Q | C | -3.3768 | |
| 283 | D | C | -4.1650 | |
| 284 | Q | C | -3.6581 | |
| 285 | V | C | 0.0000 | |
| 286 | D | C | -3.7977 | |
| 287 | R | C | -4.1654 | |
| 288 | N | C | -2.9639 | |
| 289 | I | C | -2.8510 | |
| 290 | K | C | -4.0714 | |
| 291 | E | C | -3.7597 | |
| 292 | A | C | -2.6412 | |
| 293 | R | C | -2.6706 | |
| 294 | E | C | -3.7446 | |
| 295 | K | C | -3.4314 | |
| 296 | L | C | 0.0000 | |
| 297 | E | C | -1.8485 | |
| 298 | M | C | -1.4085 | |
| 299 | E | C | -1.7707 | |
| 300 | M | C | 0.0000 | |
| 301 | E | C | 0.0000 | |
| 302 | A | C | -0.8133 | |
| 303 | A | C | -1.0002 | |
| 304 | R | C | -1.5342 | |
| 305 | H | C | -1.1735 | |
| 306 | E | C | -1.1967 | |
| 307 | H | C | -2.0413 | |
| 308 | Q | C | -2.2589 | |
| 52 | G | D | -1.9539 | |
| 53 | E | D | -2.7467 | |
| 54 | G | D | -2.2596 | |
| 55 | L | D | -1.6260 | |
| 56 | T | D | -1.6250 | |
| 57 | I | D | 0.0000 | |
| 58 | D | D | -2.7681 | |
| 59 | L | D | 0.0000 | |
| 60 | K | D | -2.8843 | |
| 61 | N | D | -2.1349 | |
| 62 | F | D | -1.5003 | |
| 63 | R | D | -2.6558 | |
| 64 | K | D | -1.8580 | |
| 65 | P | D | -1.3686 | |
| 66 | G | D | -1.4682 | |
| 67 | E | D | -1.5642 | |
| 68 | K | D | -1.3690 | |
| 69 | T | D | -0.8561 | |
| 70 | F | D | -0.5700 | |
| 71 | T | D | 0.0000 | |
| 72 | Q | D | 0.0000 | |
| 73 | R | D | -0.4482 | |
| 74 | S | D | 0.0000 | |
| 75 | R | D | -0.3611 | |
| 76 | L | D | 0.0000 | |
| 77 | F | D | 0.5299 | |
| 78 | V | D | 0.0000 | |
| 79 | G | D | 0.0000 | |
| 80 | N | D | -1.3889 | |
| 81 | L | D | 0.0000 | |
| 82 | P | D | 0.0000 | |
| 83 | P | D | -2.2666 | |
| 84 | D | D | -2.4442 | |
| 85 | I | D | -1.7916 | |
| 86 | T | D | -2.3374 | |
| 87 | E | D | -2.9277 | |
| 88 | E | D | -3.8020 | |
| 89 | E | D | -3.0277 | |
| 90 | M | D | 0.0000 | |
| 91 | R | D | -3.9393 | |
| 92 | K | D | -3.8541 | |
| 93 | L | D | -2.2473 | |
| 94 | F | D | 0.0000 | |
| 95 | E | D | -3.8561 | |
| 96 | K | D | -2.9166 | |
| 97 | Y | D | 0.0000 | |
| 98 | G | D | -1.8124 | |
| 99 | K | D | -2.5737 | |
| 100 | A | D | -1.8685 | |
| 101 | G | D | -0.8551 | |
| 102 | E | D | -0.3411 | |
| 103 | V | D | -0.2250 | |
| 104 | F | D | 0.8399 | |
| 105 | I | D | -0.3982 | |
| 106 | H | D | -1.6292 | |
| 107 | K | D | -3.0425 | |
| 108 | D | D | -3.6502 | |
| 109 | K | D | -3.0047 | |
| 110 | G | D | -1.9695 | |
| 111 | F | D | -0.5659 | |
| 112 | G | D | 0.0000 | |
| 113 | F | D | 0.8184 | |
| 114 | I | D | 0.0000 | |
| 115 | R | D | -0.6485 | |
| 116 | L | D | 0.0000 | |
| 117 | E | D | -1.3033 | |
| 118 | T | D | 0.0000 | |
| 119 | R | D | -1.0686 | |
| 120 | T | D | 0.0000 | |
| 121 | L | D | 0.0000 | |
| 122 | A | D | 0.0000 | |
| 123 | E | D | -0.6157 | |
| 124 | I | D | 0.0000 | |
| 125 | A | D | 0.0000 | |
| 126 | K | D | -0.6073 | |
| 127 | V | D | -0.2963 | |
| 128 | E | D | 0.0000 | |
| 129 | L | D | 0.0000 | |
| 130 | D | D | -1.2339 | |
| 131 | N | D | -1.8480 | |
| 132 | M | D | -0.9101 | |
| 133 | P | D | -1.4257 | |
| 134 | L | D | -1.2396 | |
| 135 | R | D | -2.1086 | |
| 136 | G | D | -1.6254 | |
| 137 | K | D | -1.9597 | |
| 138 | Q | D | -2.0931 | |
| 139 | L | D | 0.0000 | |
| 140 | R | D | -1.7235 | |
| 141 | V | D | 0.0000 | |
| 142 | R | D | -0.4610 | |
| 143 | F | D | 0.2406 | |
| 144 | A | D | 0.4320 | |
| 145 | C | D | 0.3368 | |
| 146 | H | D | 0.0000 | |
| 147 | S | D | -0.5289 | |
| 148 | A | D | 0.0000 | |
| 149 | S | D | 0.0000 | |
| 150 | L | D | 0.0000 | |
| 151 | T | D | -0.8161 | |
| 152 | V | D | 0.0000 | |
| 153 | R | D | -1.5248 | |
| 154 | N | D | -1.0647 | |
| 155 | L | D | 0.0000 | |
| 156 | P | D | 0.0000 | |
| 157 | Q | D | -1.2614 | |
| 158 | Y | D | 0.0000 | |
| 159 | V | D | 0.0000 | |
| 160 | S | D | 0.0000 | |
| 161 | N | D | -1.3792 | |
| 162 | E | D | -2.5402 | |
| 163 | L | D | 0.0000 | |
| 164 | L | D | 0.0000 | |
| 165 | E | D | -2.0779 | |
| 166 | E | D | -2.4123 | |
| 167 | A | D | 0.0000 | |
| 168 | F | D | 0.0000 | |
| 169 | S | D | -0.4960 | |
| 170 | V | D | 0.8302 | |
| 171 | F | D | 0.0000 | |
| 172 | G | D | -0.9137 | |
| 173 | Q | D | -1.3447 | |
| 174 | V | D | 0.0000 | |
| 175 | E | D | 0.0000 | |
| 176 | R | D | -1.1277 | |
| 177 | A | D | 0.0000 | |
| 178 | V | D | 0.0000 | |
| 179 | V | D | 0.0000 | |
| 180 | I | D | -1.0505 | |
| 181 | V | D | 0.0000 | |
| 182 | D | D | -2.0749 | |
| 183 | D | D | -2.5261 | |
| 184 | R | D | -2.2519 | |
| 185 | G | D | -1.7017 | |
| 186 | R | D | -1.7812 | |
| 187 | P | D | -1.2868 | |
| 188 | S | D | -0.8183 | |
| 189 | G | D | -1.1630 | |
| 190 | K | D | -1.3549 | |
| 191 | G | D | 0.0000 | |
| 192 | I | D | -0.5660 | |
| 193 | V | D | 0.0000 | |
| 194 | E | D | 0.0000 | |
| 195 | F | D | 0.0000 | |
| 196 | S | D | -0.8922 | |
| 197 | G | D | -1.4870 | |
| 198 | K | D | -2.4982 | |
| 199 | P | D | -2.1138 | |
| 200 | A | D | -2.0693 | |
| 201 | A | D | 0.0000 | |
| 202 | R | D | -3.7740 | |
| 203 | K | D | -3.3921 | |
| 204 | A | D | 0.0000 | |
| 205 | L | D | -2.4987 | |
| 206 | D | D | -3.8700 | |
| 207 | R | D | -3.3772 | |
| 208 | C | D | 0.0000 | |
| 209 | S | D | -2.2209 | |
| 210 | E | D | -2.7785 | |
| 211 | G | D | -1.7132 | |
| 212 | S | D | 0.0000 | |
| 213 | F | D | 0.0000 | |
| 214 | L | D | 0.0000 | |
| 215 | L | D | 0.0000 | |
| 216 | T | D | 0.0000 | |
| 217 | T | D | -1.1699 | |
| 218 | F | D | -0.6699 | |
| 219 | P | D | 0.0000 | |
| 220 | R | D | -0.3476 | |
| 221 | P | D | 0.0000 | |
| 222 | V | D | 0.0000 | |
| 223 | T | D | -0.6189 | |
| 224 | V | D | -0.8312 | |
| 225 | E | D | -1.3687 | |
| 226 | P | D | -1.1074 | |
| 227 | M | D | -0.9392 | |
| 228 | D | D | -2.2372 | |
| 229 | Q | D | -1.8661 | |
| 230 | L | D | -1.7502 | |
| 231 | D | D | -2.5182 | |
| 232 | D | D | -2.3556 | |
| 233 | E | D | -2.6922 | |
| 234 | E | D | -2.1812 | |
| 235 | G | D | 0.0000 | |
| 236 | L | D | -0.8965 | |
| 237 | P | D | -0.7505 | |
| 238 | E | D | -1.0956 | |
| 239 | K | D | -1.2674 | |
| 240 | L | D | 0.7045 | |
| 241 | V | D | 0.0000 | |
| 242 | I | D | 0.1158 | |
| 243 | K | D | -1.4649 | |
| 244 | N | D | -1.4964 | |
| 245 | Q | D | -2.0132 | |
| 246 | Q | D | 0.0000 | |
| 247 | F | D | 0.0000 | |
| 248 | H | D | -2.5353 | |
| 249 | K | D | -2.1378 | |
| 250 | E | D | 0.0000 | |
| 251 | R | D | -2.0807 | |
| 252 | E | D | -2.7628 | |
| 253 | Q | D | -1.9089 | |
| 254 | P | D | -1.2962 | |
| 255 | P | D | -0.4785 | |
| 256 | R | D | -0.2240 | |
| 257 | F | D | -0.3185 | |
| 258 | A | D | -0.7564 | |
| 259 | Q | D | -1.5363 | |
| 260 | P | D | -1.2248 | |
| 261 | G | D | -1.1675 | |
| 262 | S | D | -0.9530 | |
| 263 | F | D | -0.8078 | |
| 264 | E | D | -0.8782 | |
| 265 | Y | D | -1.1289 | |
| 266 | E | D | -1.9740 | |
| 267 | Y | D | 0.0000 | |
| 268 | A | D | 0.0000 | |
| 269 | M | D | -0.6412 | |
| 270 | R | D | -1.1536 | |
| 271 | W | D | 0.0000 | |
| 272 | K | D | -0.7178 | |
| 273 | A | D | -0.6680 | |
| 274 | L | D | -0.6258 | |
| 275 | I | D | 0.0000 | |
| 276 | E | D | -2.1267 | |
| 277 | M | D | -1.1100 | |
| 278 | E | D | 0.0000 | |
| 279 | K | D | -2.5761 | |
| 280 | Q | D | -2.9112 | |
| 281 | Q | D | -2.5175 | |
| 282 | Q | D | -2.9358 | |
| 283 | D | D | -3.3569 | |
| 284 | Q | D | -3.6192 | |
| 285 | V | D | 0.0000 | |
| 286 | D | D | -3.6185 | |
| 287 | R | D | -4.3436 | |
| 288 | N | D | -3.4467 | |
| 289 | I | D | -3.1009 | |
| 290 | K | D | -4.5272 | |
| 291 | E | D | -4.6383 | |
| 292 | A | D | -3.0984 | |
| 293 | R | D | -3.0737 | |
| 294 | E | D | -3.9092 | |
| 295 | K | D | -3.4817 | |
| 296 | L | D | 0.0000 | |
| 297 | E | D | -2.2238 | |
| 298 | M | D | -1.4986 | |
| 299 | E | D | -2.1258 | |
| 300 | M | D | 0.0000 | |
| 301 | E | D | -2.5136 | |
| 302 | A | D | -1.6070 | |
| 303 | A | D | -1.6206 | |
| 304 | R | D | -2.2466 | |
| 305 | H | D | -2.4766 | |
| 306 | E | D | -2.8862 | |
| 307 | H | D | -2.6034 | |
| 308 | Q | D | -2.5945 | |
| 53 | E | E | -2.7428 | |
| 54 | G | E | -2.4514 | |
| 55 | L | E | -1.5875 | |
| 56 | T | E | -1.8951 | |
| 57 | I | E | 0.0000 | |
| 58 | D | E | -2.7404 | |
| 59 | L | E | 0.0000 | |
| 60 | K | E | -2.5831 | |
| 61 | N | E | -1.9467 | |
| 62 | F | E | -1.3747 | |
| 63 | R | E | -2.2549 | |
| 64 | K | E | -1.7676 | |
| 65 | P | E | -1.4217 | |
| 66 | G | E | -1.3616 | |
| 67 | E | E | -1.4904 | |
| 68 | K | E | -1.3317 | |
| 69 | T | E | -0.8087 | |
| 70 | F | E | -0.4970 | |
| 71 | T | E | 0.0000 | |
| 72 | Q | E | 0.0000 | |
| 73 | R | E | -0.4958 | |
| 74 | S | E | 0.0000 | |
| 75 | R | E | 0.0000 | |
| 76 | L | E | 0.0000 | |
| 77 | F | E | 0.0000 | |
| 78 | V | E | 0.0000 | |
| 79 | G | E | 0.0000 | |
| 80 | N | E | -1.6186 | |
| 81 | L | E | 0.0000 | |
| 82 | P | E | 0.0000 | |
| 83 | P | E | -2.2027 | |
| 84 | D | E | -2.2971 | |
| 85 | I | E | -1.8245 | |
| 86 | T | E | -2.2651 | |
| 87 | E | E | -2.9896 | |
| 88 | E | E | -3.7539 | |
| 89 | E | E | -2.9177 | |
| 90 | M | E | 0.0000 | |
| 91 | R | E | -3.8319 | |
| 92 | K | E | -3.7011 | |
| 93 | L | E | -2.0120 | |
| 94 | F | E | 0.0000 | |
| 95 | E | E | -3.8113 | |
| 96 | K | E | -2.9215 | |
| 97 | Y | E | 0.0000 | |
| 98 | G | E | -1.8805 | |
| 99 | K | E | -2.5598 | |
| 100 | A | E | -1.6422 | |
| 101 | G | E | -0.8455 | |
| 102 | E | E | -0.5672 | |
| 103 | V | E | -0.6312 | |
| 104 | F | E | 0.0806 | |
| 105 | I | E | -0.7282 | |
| 106 | H | E | -1.4619 | |
| 107 | K | E | -2.7305 | |
| 108 | D | E | -3.2759 | |
| 109 | K | E | -2.4062 | |
| 110 | G | E | -1.8397 | |
| 111 | F | E | 0.0000 | |
| 112 | G | E | 0.0000 | |
| 113 | F | E | 0.0000 | |
| 114 | I | E | 0.0000 | |
| 115 | R | E | -0.6223 | |
| 116 | L | E | 0.0000 | |
| 117 | E | E | -1.2386 | |
| 118 | T | E | 0.0000 | |
| 119 | R | E | -0.9880 | |
| 120 | T | E | 0.0000 | |
| 121 | L | E | 0.0000 | |
| 122 | A | E | 0.0000 | |
| 123 | E | E | -0.7334 | |
| 124 | I | E | 0.0000 | |
| 125 | A | E | 0.0000 | |
| 126 | K | E | -0.7105 | |
| 127 | V | E | -1.0661 | |
| 128 | E | E | -1.2438 | |
| 129 | L | E | 0.0000 | |
| 130 | D | E | -1.1446 | |
| 131 | N | E | -1.4740 | |
| 132 | M | E | -1.0610 | |
| 133 | P | E | -1.5497 | |
| 134 | L | E | -1.5398 | |
| 135 | R | E | -2.5705 | |
| 136 | G | E | -1.9541 | |
| 137 | K | E | -2.2983 | |
| 138 | Q | E | -2.2299 | |
| 139 | L | E | 0.0000 | |
| 140 | R | E | -1.3073 | |
| 141 | V | E | 0.0000 | |
| 142 | R | E | -0.4095 | |
| 143 | F | E | -0.0445 | |
| 144 | A | E | 0.0312 | |
| 145 | C | E | -0.1310 | |
| 146 | H | E | -0.2085 | |
| 147 | S | E | -0.1984 | |
| 148 | A | E | 0.0000 | |
| 149 | S | E | 0.0000 | |
| 150 | L | E | 0.0000 | |
| 151 | T | E | 0.0000 | |
| 152 | V | E | 0.0000 | |
| 153 | R | E | -1.0666 | |
| 154 | N | E | -0.8038 | |
| 155 | L | E | 0.0000 | |
| 156 | P | E | 0.0000 | |
| 157 | Q | E | -1.0233 | |
| 158 | Y | E | -0.3517 | |
| 159 | V | E | 0.0000 | |
| 160 | S | E | 0.0000 | |
| 161 | N | E | -1.3668 | |
| 162 | E | E | -2.1795 | |
| 163 | L | E | 0.0000 | |
| 164 | L | E | 0.0000 | |
| 165 | E | E | -1.9979 | |
| 166 | E | E | -2.1990 | |
| 167 | A | E | 0.0000 | |
| 168 | F | E | 0.0000 | |
| 169 | S | E | -0.5056 | |
| 170 | V | E | 0.8220 | |
| 171 | F | E | 0.0000 | |
| 172 | G | E | -0.5799 | |
| 173 | Q | E | -1.1757 | |
| 174 | V | E | 0.0000 | |
| 175 | E | E | 0.0000 | |
| 176 | R | E | -1.0778 | |
| 177 | A | E | -1.1790 | |
| 178 | V | E | 0.0000 | |
| 179 | V | E | 0.0000 | |
| 180 | I | E | 0.0000 | |
| 181 | V | E | 0.0000 | |
| 182 | D | E | -2.3597 | |
| 183 | D | E | -2.4581 | |
| 184 | R | E | -1.9042 | |
| 185 | G | E | -1.8682 | |
| 186 | R | E | -2.4906 | |
| 187 | P | E | -1.6799 | |
| 188 | S | E | -1.2002 | |
| 189 | G | E | -1.1569 | |
| 190 | K | E | -1.2245 | |
| 191 | G | E | 0.0000 | |
| 192 | I | E | 0.0000 | |
| 193 | V | E | 0.0000 | |
| 194 | E | E | 0.0000 | |
| 195 | F | E | 0.0000 | |
| 196 | S | E | -0.6096 | |
| 197 | G | E | -0.2667 | |
| 198 | K | E | -0.5751 | |
| 199 | P | E | -0.8357 | |
| 200 | A | E | -0.9095 | |
| 201 | A | E | 0.0000 | |
| 202 | R | E | -2.1089 | |
| 203 | K | E | -2.6257 | |
| 204 | A | E | 0.0000 | |
| 205 | L | E | 0.0000 | |
| 206 | D | E | -3.6662 | |
| 207 | R | E | -3.5337 | |
| 208 | C | E | 0.0000 | |
| 209 | S | E | -2.2698 | |
| 210 | E | E | -2.9310 | |
| 211 | G | E | -1.8012 | |
| 212 | S | E | 0.0000 | |
| 213 | F | E | 0.0000 | |
| 214 | L | E | 0.0000 | |
| 215 | L | E | 0.0000 | |
| 216 | T | E | 0.0000 | |
| 217 | T | E | 0.0000 | |
| 218 | F | E | 0.0000 | |
| 219 | P | E | 0.0000 | |
| 220 | R | E | -0.4835 | |
| 221 | P | E | 0.0000 | |
| 222 | V | E | 0.0000 | |
| 223 | T | E | -0.5865 | |
| 224 | V | E | 0.0000 | |
| 225 | E | E | -1.2418 | |
| 226 | P | E | -1.0412 | |
| 227 | M | E | -1.0565 | |
| 228 | D | E | -2.1279 | |
| 229 | Q | E | -1.5661 | |
| 230 | L | E | -1.1403 | |
| 231 | D | E | -1.7035 | |
| 232 | D | E | -1.7489 | |
| 233 | E | E | -1.4930 | |
| 234 | E | E | -1.4243 | |
| 235 | G | E | 0.0000 | |
| 236 | L | E | -0.8116 | |
| 237 | P | E | 0.0000 | |
| 238 | E | E | -1.0795 | |
| 239 | K | E | -1.3961 | |
| 240 | L | E | 0.4584 | |
| 241 | V | E | 0.3477 | |
| 242 | I | E | 0.7354 | |
| 243 | K | E | -0.3348 | |
| 244 | N | E | -0.6179 | |
| 245 | Q | E | -0.5618 | |
| 246 | Q | E | -0.8139 | |
| 247 | F | E | 0.0000 | |
| 248 | H | E | 0.0000 | |
| 249 | K | E | -1.1464 | |
| 250 | E | E | 0.0000 | |
| 251 | R | E | 0.0000 | |
| 252 | E | E | -1.7392 | |
| 253 | Q | E | -1.4221 | |
| 254 | P | E | -1.1052 | |
| 255 | P | E | -0.5917 | |
| 256 | R | E | -0.2807 | |
| 257 | F | E | -0.4719 | |
| 258 | A | E | 0.0000 | |
| 259 | Q | E | -1.4877 | |
| 260 | P | E | -1.1622 | |
| 261 | G | E | -1.0797 | |
| 262 | S | E | -0.7908 | |
| 263 | F | E | -0.6067 | |
| 264 | E | E | -0.8582 | |
| 265 | Y | E | -1.0946 | |
| 266 | E | E | -2.0186 | |
| 267 | Y | E | -1.4460 | |
| 268 | A | E | 0.0000 | |
| 269 | M | E | -1.0709 | |
| 270 | R | E | -2.1784 | |
| 271 | W | E | 0.0000 | |
| 272 | K | E | -0.9681 | |
| 273 | A | E | -1.0580 | |
| 274 | L | E | -0.8568 | |
| 275 | I | E | -1.2764 | |
| 276 | E | E | -2.5297 | |
| 277 | M | E | -1.2803 | |
| 278 | E | E | 0.0000 | |
| 279 | K | E | -3.3011 | |
| 280 | Q | E | -3.3913 | |
| 281 | Q | E | -2.8071 | |
| 282 | Q | E | -3.4543 | |
| 283 | D | E | -3.9632 | |
| 284 | Q | E | -3.9307 | |
| 285 | V | E | 0.0000 | |
| 286 | D | E | -3.9818 | |
| 287 | R | E | -4.2520 | |
| 288 | N | E | -3.8075 | |
| 289 | I | E | -3.2831 | |
| 290 | K | E | -4.5331 | |
| 291 | E | E | -4.6487 | |
| 292 | A | E | -3.1771 | |
| 293 | R | E | -3.1229 | |
| 294 | E | E | -3.8427 | |
| 295 | K | E | -3.4139 | |
| 296 | L | E | -2.4711 | |
| 297 | E | E | -1.9753 | |
| 298 | M | E | -1.1640 | |
| 299 | E | E | -1.9599 | |
| 300 | M | E | 0.0000 | |
| 301 | E | E | -1.1912 | |
| 302 | A | E | -1.3678 | |
| 303 | A | E | 0.0000 | |
| 304 | R | E | 0.0000 | |
| 305 | H | E | -1.9046 | |
| 306 | E | E | -2.6260 | |
| 307 | H | E | -2.1692 | |
| 308 | Q | E | -2.0239 | |
| 54 | G | F | -1.3670 | |
| 55 | L | F | -1.2385 | |
| 56 | T | F | -1.6342 | |
| 57 | I | F | 0.0000 | |
| 58 | D | F | -3.0893 | |
| 59 | L | F | 0.0000 | |
| 60 | K | F | -3.1214 | |
| 61 | N | F | -2.1029 | |
| 62 | F | F | -1.4530 | |
| 63 | R | F | -2.2979 | |
| 64 | K | F | -1.6689 | |
| 65 | P | F | -1.3403 | |
| 66 | G | F | -1.3623 | |
| 67 | E | F | -1.4594 | |
| 68 | K | F | -1.3309 | |
| 69 | T | F | -0.8078 | |
| 70 | F | F | -0.6899 | |
| 71 | T | F | 0.0000 | |
| 72 | Q | F | 0.0000 | |
| 73 | R | F | -0.4554 | |
| 74 | S | F | 0.0000 | |
| 75 | R | F | 0.0000 | |
| 76 | L | F | 0.0000 | |
| 77 | F | F | 0.0000 | |
| 78 | V | F | 0.0000 | |
| 79 | G | F | 0.0000 | |
| 80 | N | F | -1.3333 | |
| 81 | L | F | 0.0000 | |
| 82 | P | F | 0.0000 | |
| 83 | P | F | -2.0552 | |
| 84 | D | F | -2.2378 | |
| 85 | I | F | -1.6557 | |
| 86 | T | F | -2.1957 | |
| 87 | E | F | -3.0672 | |
| 88 | E | F | -3.7771 | |
| 89 | E | F | -3.0119 | |
| 90 | M | F | 0.0000 | |
| 91 | R | F | -4.0073 | |
| 92 | K | F | -3.8291 | |
| 93 | L | F | -2.2303 | |
| 94 | F | F | 0.0000 | |
| 95 | E | F | -3.8291 | |
| 96 | K | F | -2.8711 | |
| 97 | Y | F | 0.0000 | |
| 98 | G | F | -2.0058 | |
| 99 | K | F | -2.5317 | |
| 100 | A | F | -2.0714 | |
| 101 | G | F | -1.4575 | |
| 102 | E | F | -1.6580 | |
| 103 | V | F | -1.0647 | |
| 104 | F | F | -0.1715 | |
| 105 | I | F | -0.7021 | |
| 106 | H | F | -1.6569 | |
| 107 | K | F | -2.7961 | |
| 108 | D | F | -3.2383 | |
| 109 | K | F | -2.3151 | |
| 110 | G | F | -1.6857 | |
| 111 | F | F | 0.0000 | |
| 112 | G | F | 0.0000 | |
| 113 | F | F | 0.1318 | |
| 114 | I | F | 0.0000 | |
| 115 | R | F | -0.9174 | |
| 116 | L | F | 0.0000 | |
| 117 | E | F | -1.2122 | |
| 118 | T | F | 0.0000 | |
| 119 | R | F | -0.9327 | |
| 120 | T | F | 0.0000 | |
| 121 | L | F | 0.0000 | |
| 122 | A | F | 0.0000 | |
| 123 | E | F | -0.6523 | |
| 124 | I | F | 0.0000 | |
| 125 | A | F | 0.0000 | |
| 126 | K | F | -0.6029 | |
| 127 | V | F | 0.0000 | |
| 128 | E | F | 0.0000 | |
| 129 | L | F | 0.0000 | |
| 130 | D | F | 0.0000 | |
| 131 | N | F | -1.5504 | |
| 132 | M | F | -1.0604 | |
| 133 | P | F | -1.4152 | |
| 134 | L | F | -1.3296 | |
| 135 | R | F | -2.2296 | |
| 136 | G | F | -1.7368 | |
| 137 | K | F | -2.0988 | |
| 138 | Q | F | -1.9940 | |
| 139 | L | F | 0.0000 | |
| 140 | R | F | -1.2502 | |
| 141 | V | F | 0.0000 | |
| 142 | R | F | -0.4749 | |
| 143 | F | F | -0.0025 | |
| 144 | A | F | 0.0000 | |
| 145 | C | F | -0.1520 | |
| 146 | H | F | -0.1199 | |
| 147 | S | F | -0.1000 | |
| 148 | A | F | 0.0000 | |
| 149 | S | F | 0.0000 | |
| 150 | L | F | 0.0000 | |
| 151 | T | F | -1.0631 | |
| 152 | V | F | 0.0000 | |
| 153 | R | F | -1.6975 | |
| 154 | N | F | -1.1225 | |
| 155 | L | F | 0.0000 | |
| 156 | P | F | 0.0000 | |
| 157 | Q | F | -1.2480 | |
| 158 | Y | F | 0.0000 | |
| 159 | V | F | 0.0000 | |
| 160 | S | F | 0.0000 | |
| 161 | N | F | -1.2588 | |
| 162 | E | F | -2.2907 | |
| 163 | L | F | 0.0000 | |
| 164 | L | F | 0.0000 | |
| 165 | E | F | -2.0160 | |
| 166 | E | F | -2.2377 | |
| 167 | A | F | 0.0000 | |
| 168 | F | F | 0.0000 | |
| 169 | S | F | -0.5669 | |
| 170 | V | F | 0.7516 | |
| 171 | F | F | 0.0000 | |
| 172 | G | F | -0.6422 | |
| 173 | Q | F | -1.1858 | |
| 174 | V | F | 0.0000 | |
| 175 | E | F | 0.0000 | |
| 176 | R | F | -1.0280 | |
| 177 | A | F | 0.0000 | |
| 178 | V | F | 0.0000 | |
| 179 | V | F | 0.0000 | |
| 180 | I | F | -1.0785 | |
| 181 | V | F | 0.0000 | |
| 182 | D | F | -2.0278 | |
| 183 | D | F | -2.2177 | |
| 184 | R | F | -2.3031 | |
| 185 | G | F | -1.8438 | |
| 186 | R | F | -2.3548 | |
| 187 | P | F | -1.5602 | |
| 188 | S | F | -1.1028 | |
| 189 | G | F | -1.3408 | |
| 190 | K | F | -1.6177 | |
| 191 | G | F | 0.0000 | |
| 192 | I | F | 0.0000 | |
| 193 | V | F | 0.0000 | |
| 194 | E | F | 0.0000 | |
| 195 | F | F | 0.0000 | |
| 196 | S | F | -0.5722 | |
| 197 | G | F | -0.4668 | |
| 198 | K | F | -0.8930 | |
| 199 | P | F | -1.0944 | |
| 200 | A | F | -0.9983 | |
| 201 | A | F | 0.0000 | |
| 202 | R | F | -2.7264 | |
| 203 | K | F | -2.4066 | |
| 204 | A | F | 0.0000 | |
| 205 | L | F | -2.2891 | |
| 206 | D | F | -3.5499 | |
| 207 | R | F | -3.0159 | |
| 208 | C | F | 0.0000 | |
| 209 | S | F | -2.0930 | |
| 210 | E | F | -2.7339 | |
| 211 | G | F | -1.6734 | |
| 212 | S | F | 0.0000 | |
| 213 | F | F | 0.0000 | |
| 214 | L | F | 0.0000 | |
| 215 | L | F | 0.0000 | |
| 216 | T | F | 0.0000 | |
| 217 | T | F | 0.0000 | |
| 218 | F | F | 0.0000 | |
| 219 | P | F | 0.0000 | |
| 220 | R | F | -0.4656 | |
| 221 | P | F | 0.0000 | |
| 222 | V | F | 0.0000 | |
| 223 | T | F | -0.7868 | |
| 224 | V | F | 0.0000 | |
| 225 | E | F | -1.5713 | |
| 226 | P | F | -1.1903 | |
| 227 | M | F | -1.1116 | |
| 228 | D | F | -2.2895 | |
| 229 | Q | F | -1.7671 | |
| 230 | L | F | -1.5815 | |
| 231 | D | F | -1.9202 | |
| 232 | D | F | -1.9335 | |
| 233 | E | F | -1.9026 | |
| 234 | E | F | -1.7107 | |
| 235 | G | F | 0.0000 | |
| 236 | L | F | -1.0253 | |
| 237 | P | F | 0.0000 | |
| 238 | E | F | -1.1731 | |
| 239 | K | F | -1.5834 | |
| 240 | L | F | 0.0182 | |
| 241 | V | F | 0.0000 | |
| 242 | I | F | 0.5132 | |
| 243 | K | F | -0.3317 | |
| 244 | N | F | -0.6686 | |
| 245 | Q | F | -0.5914 | |
| 246 | Q | F | 0.0000 | |
| 247 | F | F | 0.0000 | |
| 248 | H | F | 0.0000 | |
| 249 | K | F | -1.0659 | |
| 250 | E | F | 0.0000 | |
| 251 | R | F | 0.0000 | |
| 252 | E | F | -1.7702 | |
| 253 | Q | F | -0.9875 | |
| 254 | P | F | -0.8304 | |
| 255 | P | F | -0.4520 | |
| 256 | R | F | -0.1907 | |
| 257 | F | F | -0.3349 | |
| 258 | A | F | -0.6788 | |
| 259 | Q | F | -1.4981 | |
| 260 | P | F | -1.1957 | |
| 261 | G | F | -1.1355 | |
| 262 | S | F | -0.8546 | |
| 263 | F | F | -0.8207 | |
| 264 | E | F | 0.0000 | |
| 265 | Y | F | -1.1182 | |
| 266 | E | F | -2.1481 | |
| 267 | Y | F | -1.4565 | |
| 268 | A | F | 0.0000 | |
| 269 | M | F | -1.1122 | |
| 270 | R | F | -2.2241 | |
| 271 | W | F | 0.0000 | |
| 272 | K | F | -1.0766 | |
| 273 | A | F | -1.1708 | |
| 274 | L | F | -1.0192 | |
| 275 | I | F | 0.0000 | |
| 276 | E | F | -2.6864 | |
| 277 | M | F | -1.4196 | |
| 278 | E | F | 0.0000 | |
| 279 | K | F | -3.5165 | |
| 280 | Q | F | -3.4382 | |
| 281 | Q | F | -2.6312 | |
| 282 | Q | F | -3.4617 | |
| 283 | D | F | -4.2101 | |
| 284 | Q | F | -3.7460 | |
| 285 | V | F | 0.0000 | |
| 286 | D | F | -4.0100 | |
| 287 | R | F | -4.5271 | |
| 288 | N | F | -3.4884 | |
| 289 | I | F | -3.2033 | |
| 290 | K | F | -4.5199 | |
| 291 | E | F | -4.6169 | |
| 292 | A | F | -3.1256 | |
| 293 | R | F | -3.1337 | |
| 294 | E | F | -3.9070 | |
| 295 | K | F | -3.5187 | |
| 296 | L | F | -2.4712 | |
| 297 | E | F | -2.2261 | |
| 298 | M | F | -1.4657 | |
| 299 | E | F | -2.3851 | |
| 300 | M | F | 0.0000 | |
| 301 | E | F | -1.5844 | |
| 302 | A | F | -1.5657 | |
| 303 | A | F | -1.6053 | |
| 304 | R | F | 0.0000 | |
| 305 | H | F | -2.0913 | |
| 306 | E | F | -2.4806 | |
| 307 | H | F | -2.2115 | |
| 308 | Q | F | -2.3875 | |
| 53 | E | G | -2.4258 | |
| 54 | G | G | -2.0667 | |
| 55 | L | G | -1.3165 | |
| 56 | T | G | -1.3595 | |
| 57 | I | G | 0.0000 | |
| 58 | D | G | -2.5661 | |
| 59 | L | G | 0.0000 | |
| 60 | K | G | -2.5997 | |
| 61 | N | G | -1.9230 | |
| 62 | F | G | -1.3754 | |
| 63 | R | G | -2.3282 | |
| 64 | K | G | -1.7442 | |
| 65 | P | G | -1.3871 | |
| 66 | G | G | -1.3012 | |
| 67 | E | G | -1.5524 | |
| 68 | K | G | -1.4780 | |
| 69 | T | G | -0.9052 | |
| 70 | F | G | -0.5371 | |
| 71 | T | G | -0.4743 | |
| 72 | Q | G | 0.0000 | |
| 73 | R | G | -0.6263 | |
| 74 | S | G | 0.0000 | |
| 75 | R | G | -0.5285 | |
| 76 | L | G | 0.0000 | |
| 77 | F | G | 0.0000 | |
| 78 | V | G | 0.0000 | |
| 79 | G | G | 0.0000 | |
| 80 | N | G | -1.2065 | |
| 81 | L | G | 0.0000 | |
| 82 | P | G | 0.0000 | |
| 83 | P | G | -2.0907 | |
| 84 | D | G | -2.4929 | |
| 85 | I | G | -1.8797 | |
| 86 | T | G | -2.2097 | |
| 87 | E | G | -2.9959 | |
| 88 | E | G | -3.6199 | |
| 89 | E | G | -3.0453 | |
| 90 | M | G | 0.0000 | |
| 91 | R | G | -4.0015 | |
| 92 | K | G | -3.9111 | |
| 93 | L | G | -2.2865 | |
| 94 | F | G | 0.0000 | |
| 95 | E | G | -3.7098 | |
| 96 | K | G | -2.8361 | |
| 97 | Y | G | 0.0000 | |
| 98 | G | G | -1.9026 | |
| 99 | K | G | -2.5205 | |
| 100 | A | G | -1.6994 | |
| 101 | G | G | -0.8982 | |
| 102 | E | G | -0.4291 | |
| 103 | V | G | -0.4437 | |
| 104 | F | G | 0.4286 | |
| 105 | I | G | -0.3525 | |
| 106 | H | G | -1.3709 | |
| 107 | K | G | -2.8042 | |
| 108 | D | G | -3.0667 | |
| 109 | K | G | -2.0747 | |
| 110 | G | G | -1.4236 | |
| 111 | F | G | 0.0000 | |
| 112 | G | G | 0.0000 | |
| 113 | F | G | 0.4021 | |
| 114 | I | G | 0.0000 | |
| 115 | R | G | -0.6844 | |
| 116 | L | G | 0.0000 | |
| 117 | E | G | -1.2566 | |
| 118 | T | G | 0.0000 | |
| 119 | R | G | -1.0619 | |
| 120 | T | G | 0.0000 | |
| 121 | L | G | 0.0000 | |
| 122 | A | G | 0.0000 | |
| 123 | E | G | -0.7965 | |
| 124 | I | G | 0.0000 | |
| 125 | A | G | 0.0000 | |
| 126 | K | G | -0.8047 | |
| 127 | V | G | 0.0000 | |
| 128 | E | G | -1.6246 | |
| 129 | L | G | 0.0000 | |
| 130 | D | G | -1.4953 | |
| 131 | N | G | -1.9709 | |
| 132 | M | G | -1.2622 | |
| 133 | P | G | -1.5676 | |
| 134 | L | G | -1.4707 | |
| 135 | R | G | -2.4272 | |
| 136 | G | G | -1.8377 | |
| 137 | K | G | -2.1263 | |
| 138 | Q | G | -2.1776 | |
| 139 | L | G | 0.0000 | |
| 140 | R | G | -1.2837 | |
| 141 | V | G | 0.0000 | |
| 142 | R | G | -0.4413 | |
| 143 | F | G | -0.0766 | |
| 144 | A | G | 0.0000 | |
| 145 | C | G | -0.3631 | |
| 146 | H | G | -0.2869 | |
| 147 | S | G | -0.5241 | |
| 148 | A | G | 0.0000 | |
| 149 | S | G | 0.0000 | |
| 150 | L | G | 0.0000 | |
| 151 | T | G | -0.7957 | |
| 152 | V | G | 0.0000 | |
| 153 | R | G | -1.1235 | |
| 154 | N | G | -0.8660 | |
| 155 | L | G | 0.0000 | |
| 156 | P | G | 0.0000 | |
| 157 | Q | G | -1.2001 | |
| 158 | Y | G | -0.5265 | |
| 159 | V | G | 0.0000 | |
| 160 | S | G | 0.0000 | |
| 161 | N | G | -1.3169 | |
| 162 | E | G | -2.2760 | |
| 163 | L | G | 0.0000 | |
| 164 | L | G | 0.0000 | |
| 165 | E | G | -2.1296 | |
| 166 | E | G | -2.2841 | |
| 167 | A | G | 0.0000 | |
| 168 | F | G | 0.0000 | |
| 169 | S | G | -0.5418 | |
| 170 | V | G | 0.8039 | |
| 171 | F | G | 0.0000 | |
| 172 | G | G | -0.6718 | |
| 173 | Q | G | -1.2029 | |
| 174 | V | G | 0.0000 | |
| 175 | E | G | 0.0000 | |
| 176 | R | G | -1.1528 | |
| 177 | A | G | -1.2077 | |
| 178 | V | G | 0.0000 | |
| 179 | V | G | 0.0000 | |
| 180 | I | G | 0.0000 | |
| 181 | V | G | 0.0000 | |
| 182 | D | G | -2.2011 | |
| 183 | D | G | -2.4055 | |
| 184 | R | G | -2.6749 | |
| 185 | G | G | -2.0474 | |
| 186 | R | G | -2.3900 | |
| 187 | P | G | -1.7647 | |
| 188 | S | G | -1.2749 | |
| 189 | G | G | -1.3146 | |
| 190 | K | G | -1.4823 | |
| 191 | G | G | 0.0000 | |
| 192 | I | G | -0.6306 | |
| 193 | V | G | 0.0000 | |
| 194 | E | G | 0.0000 | |
| 195 | F | G | 0.0000 | |
| 196 | S | G | -0.6729 | |
| 197 | G | G | -0.7788 | |
| 198 | K | G | -1.4898 | |
| 199 | P | G | -1.5454 | |
| 200 | A | G | 0.0000 | |
| 201 | A | G | 0.0000 | |
| 202 | R | G | -2.6671 | |
| 203 | K | G | -2.5190 | |
| 204 | A | G | 0.0000 | |
| 205 | L | G | -1.9992 | |
| 206 | D | G | -2.8790 | |
| 207 | R | G | -2.6176 | |
| 208 | C | G | 0.0000 | |
| 209 | S | G | -1.7972 | |
| 210 | E | G | -2.4885 | |
| 211 | G | G | -1.4721 | |
| 212 | S | G | 0.0000 | |
| 213 | F | G | 0.0000 | |
| 214 | L | G | 0.0000 | |
| 215 | L | G | 0.0000 | |
| 216 | T | G | 0.0000 | |
| 217 | T | G | -0.9913 | |
| 218 | F | G | 0.0000 | |
| 219 | P | G | 0.0000 | |
| 220 | R | G | -0.4559 | |
| 221 | P | G | 0.0000 | |
| 222 | V | G | 0.0000 | |
| 223 | T | G | -0.5606 | |
| 224 | V | G | 0.0000 | |
| 225 | E | G | -1.1835 | |
| 226 | P | G | -1.0921 | |
| 227 | M | G | -1.0176 | |
| 228 | D | G | -2.2355 | |
| 229 | Q | G | -1.7625 | |
| 230 | L | G | -1.5159 | |
| 231 | D | G | -2.2474 | |
| 232 | D | G | -2.3543 | |
| 233 | E | G | -2.2410 | |
| 234 | E | G | -1.8195 | |
| 235 | G | G | 0.0000 | |
| 236 | L | G | -0.9469 | |
| 237 | P | G | -0.7425 | |
| 238 | E | G | -0.9276 | |
| 239 | K | G | -1.3624 | |
| 240 | L | G | 0.3207 | |
| 241 | V | G | 0.0000 | |
| 242 | I | G | 0.3434 | |
| 243 | K | G | -0.3942 | |
| 244 | N | G | -0.8567 | |
| 245 | Q | G | -0.8041 | |
| 246 | Q | G | -1.1902 | |
| 247 | F | G | 0.0000 | |
| 248 | H | G | 0.0000 | |
| 249 | K | G | -1.5092 | |
| 250 | E | G | 0.0000 | |
| 251 | R | G | -1.4728 | |
| 252 | E | G | -2.2781 | |
| 253 | Q | G | -1.7888 | |
| 254 | P | G | -1.2968 | |
| 255 | P | G | -0.6763 | |
| 256 | R | G | -0.3131 | |
| 257 | F | G | -0.5289 | |
| 258 | A | G | 0.0000 | |
| 259 | Q | G | -1.5122 | |
| 260 | P | G | -1.1774 | |
| 261 | G | G | -1.0781 | |
| 262 | S | G | -0.7907 | |
| 263 | F | G | -0.7212 | |
| 264 | E | G | -0.6452 | |
| 265 | Y | G | -0.9737 | |
| 266 | E | G | -1.7560 | |
| 267 | Y | G | -1.0856 | |
| 268 | A | G | 0.0000 | |
| 269 | M | G | -0.6234 | |
| 270 | R | G | -1.2726 | |
| 271 | W | G | 0.0000 | |
| 272 | K | G | -1.0139 | |
| 273 | A | G | -0.8780 | |
| 274 | L | G | -0.8091 | |
| 275 | I | G | 0.0000 | |
| 276 | E | G | -2.6314 | |
| 277 | M | G | -1.4777 | |
| 278 | E | G | 0.0000 | |
| 279 | K | G | -3.4331 | |
| 280 | Q | G | -3.4464 | |
| 281 | Q | G | -2.7904 | |
| 282 | Q | G | -3.5672 | |
| 283 | D | G | -4.0572 | |
| 284 | Q | G | -3.9925 | |
| 285 | V | G | 0.0000 | |
| 286 | D | G | -3.9014 | |
| 287 | R | G | -4.4967 | |
| 288 | N | G | -3.5868 | |
| 289 | I | G | -3.0456 | |
| 290 | K | G | -4.2248 | |
| 291 | E | G | -4.5158 | |
| 292 | A | G | -3.0918 | |
| 293 | R | G | -3.0274 | |
| 294 | E | G | -3.7792 | |
| 295 | K | G | -3.3877 | |
| 296 | L | G | 0.0000 | |
| 297 | E | G | -2.0704 | |
| 298 | M | G | -1.2263 | |
| 299 | E | G | -1.7440 | |
| 300 | M | G | 0.0000 | |
| 301 | E | G | -1.5252 | |
| 302 | A | G | 0.0000 | |
| 303 | A | G | 0.0000 | |
| 304 | R | G | -1.7316 | |
| 305 | H | G | -2.2359 | |
| 306 | E | G | -2.8501 | |
| 307 | H | G | -2.1542 | |
| 54 | G | H | -1.5039 | |
| 55 | L | H | -1.2918 | |
| 56 | T | H | -1.4696 | |
| 57 | I | H | 0.0000 | |
| 58 | D | H | -2.1955 | |
| 59 | L | H | 0.0000 | |
| 60 | K | H | -2.9775 | |
| 61 | N | H | -2.5348 | |
| 62 | F | H | -1.8075 | |
| 63 | R | H | -2.8706 | |
| 64 | K | H | -1.9985 | |
| 65 | P | H | -1.4141 | |
| 66 | G | H | -1.5273 | |
| 67 | E | H | -1.7691 | |
| 68 | K | H | -1.4836 | |
| 69 | T | H | -0.8965 | |
| 70 | F | H | -0.5654 | |
| 71 | T | H | 0.0000 | |
| 72 | Q | H | 0.0000 | |
| 73 | R | H | -0.4924 | |
| 74 | S | H | 0.0000 | |
| 75 | R | H | -0.4718 | |
| 76 | L | H | 0.0000 | |
| 77 | F | H | 0.0000 | |
| 78 | V | H | 0.0000 | |
| 79 | G | H | 0.0000 | |
| 80 | N | H | -2.0945 | |
| 81 | L | H | 0.0000 | |
| 82 | P | H | 0.0000 | |
| 83 | P | H | -2.6985 | |
| 84 | D | H | -2.7563 | |
| 85 | I | H | 0.0000 | |
| 86 | T | H | -2.5244 | |
| 87 | E | H | -3.0394 | |
| 88 | E | H | -3.1868 | |
| 89 | E | H | -2.8750 | |
| 90 | M | H | 0.0000 | |
| 91 | R | H | -3.9506 | |
| 92 | K | H | -3.7753 | |
| 93 | L | H | -2.1603 | |
| 94 | F | H | 0.0000 | |
| 95 | E | H | -3.7021 | |
| 96 | K | H | -2.6000 | |
| 97 | Y | H | 0.0000 | |
| 98 | G | H | -1.7388 | |
| 99 | K | H | -2.5593 | |
| 100 | A | H | -1.7946 | |
| 101 | G | H | -1.0464 | |
| 102 | E | H | -0.3859 | |
| 103 | V | H | -0.3344 | |
| 104 | F | H | 0.2451 | |
| 105 | I | H | 0.0000 | |
| 106 | H | H | -2.0797 | |
| 107 | K | H | -3.5664 | |
| 108 | D | H | -3.5221 | |
| 109 | K | H | -2.9127 | |
| 110 | G | H | -2.4193 | |
| 111 | F | H | 0.0000 | |
| 112 | G | H | 0.0000 | |
| 113 | F | H | 0.3530 | |
| 114 | I | H | 0.0000 | |
| 115 | R | H | -0.6846 | |
| 116 | L | H | 0.0000 | |
| 117 | E | H | -1.2303 | |
| 118 | T | H | 0.0000 | |
| 119 | R | H | -0.9995 | |
| 120 | T | H | 0.0000 | |
| 121 | L | H | 0.0000 | |
| 122 | A | H | 0.0000 | |
| 123 | E | H | -0.7118 | |
| 124 | I | H | 0.0000 | |
| 125 | A | H | 0.0000 | |
| 126 | K | H | -0.5360 | |
| 127 | V | H | 0.0000 | |
| 128 | E | H | 0.0000 | |
| 129 | L | H | 0.0000 | |
| 130 | D | H | 0.0000 | |
| 131 | N | H | -1.5048 | |
| 132 | M | H | -0.8561 | |
| 133 | P | H | -1.5699 | |
| 134 | L | H | -1.4387 | |
| 135 | R | H | -2.2374 | |
| 136 | G | H | -1.8932 | |
| 137 | K | H | -2.4491 | |
| 138 | Q | H | -2.4799 | |
| 139 | L | H | 0.0000 | |
| 140 | R | H | -1.3989 | |
| 141 | V | H | 0.0000 | |
| 142 | R | H | -0.4099 | |
| 143 | F | H | -0.0174 | |
| 144 | A | H | 0.0000 | |
| 145 | C | H | -0.0575 | |
| 146 | H | H | -0.2169 | |
| 147 | S | H | -0.3977 | |
| 148 | A | H | 0.0000 | |
| 149 | S | H | -0.5834 | |
| 150 | L | H | 0.0000 | |
| 151 | T | H | -0.6649 | |
| 152 | V | H | 0.0000 | |
| 153 | R | H | -0.9931 | |
| 154 | N | H | -0.7866 | |
| 155 | L | H | 0.0000 | |
| 156 | P | H | 0.0000 | |
| 157 | Q | H | -1.1562 | |
| 158 | Y | H | -0.5311 | |
| 159 | V | H | 0.0000 | |
| 160 | S | H | 0.0000 | |
| 161 | N | H | -1.0550 | |
| 162 | E | H | -1.8778 | |
| 163 | L | H | 0.0000 | |
| 164 | L | H | 0.0000 | |
| 165 | E | H | -1.9261 | |
| 166 | E | H | -2.2703 | |
| 167 | A | H | 0.0000 | |
| 168 | F | H | 0.0000 | |
| 169 | S | H | -0.6261 | |
| 170 | V | H | 0.7029 | |
| 171 | F | H | 0.0000 | |
| 172 | G | H | -0.6466 | |
| 173 | Q | H | -1.4018 | |
| 174 | V | H | 0.0000 | |
| 175 | E | H | 0.0000 | |
| 176 | R | H | -0.9612 | |
| 177 | A | H | 0.0000 | |
| 178 | V | H | 0.0000 | |
| 179 | V | H | 0.0000 | |
| 180 | I | H | 0.0000 | |
| 181 | V | H | 0.0000 | |
| 182 | D | H | -2.8441 | |
| 183 | D | H | -3.3056 | |
| 184 | R | H | -3.0114 | |
| 185 | G | H | -2.3726 | |
| 186 | R | H | -2.9124 | |
| 187 | P | H | -1.9589 | |
| 188 | S | H | -1.1885 | |
| 189 | G | H | -1.2296 | |
| 190 | K | H | -1.2446 | |
| 191 | G | H | 0.0000 | |
| 192 | I | H | -0.5637 | |
| 193 | V | H | 0.0000 | |
| 194 | E | H | 0.0000 | |
| 195 | F | H | 0.0000 | |
| 196 | S | H | -0.7505 | |
| 197 | G | H | -0.9351 | |
| 198 | K | H | -1.4388 | |
| 199 | P | H | -1.6819 | |
| 200 | A | H | 0.0000 | |
| 201 | A | H | 0.0000 | |
| 202 | R | H | -1.6912 | |
| 203 | K | H | -2.0226 | |
| 204 | A | H | 0.0000 | |
| 205 | L | H | -1.3409 | |
| 206 | D | H | -2.1055 | |
| 207 | R | H | -2.3078 | |
| 208 | C | H | 0.0000 | |
| 209 | S | H | -1.6915 | |
| 210 | E | H | -2.4649 | |
| 211 | G | H | -1.4793 | |
| 212 | S | H | 0.0000 | |
| 213 | F | H | 0.0000 | |
| 214 | L | H | 0.0000 | |
| 215 | L | H | 0.0000 | |
| 216 | T | H | 0.0000 | |
| 217 | T | H | -1.0071 | |
| 218 | F | H | -0.3912 | |
| 219 | P | H | 0.0000 | |
| 220 | R | H | -0.3362 | |
| 221 | P | H | 0.0000 | |
| 222 | V | H | 0.0000 | |
| 223 | T | H | -0.4684 | |
| 224 | V | H | -0.5617 | |
| 225 | E | H | -0.9991 | |
| 226 | P | H | -0.9073 | |
| 227 | M | H | -0.9704 | |
| 228 | D | H | -2.1158 | |
| 229 | Q | H | -1.4923 | |
| 230 | L | H | -1.5491 | |
| 231 | D | H | -2.0677 | |
| 232 | D | H | -2.1488 | |
| 233 | E | H | -2.1669 | |
| 234 | E | H | -1.7755 | |
| 235 | G | H | 0.0000 | |
| 236 | L | H | -1.0533 | |
| 237 | P | H | -0.9675 | |
| 238 | E | H | -1.2878 | |
| 239 | K | H | -1.6925 | |
| 240 | L | H | -0.1271 | |
| 241 | V | H | 0.0000 | |
| 242 | I | H | 0.1668 | |
| 243 | K | H | -0.6728 | |
| 244 | N | H | -0.9686 | |
| 245 | Q | H | -0.7910 | |
| 246 | Q | H | -1.2389 | |
| 247 | F | H | 0.0000 | |
| 248 | H | H | 0.0000 | |
| 249 | K | H | -1.4694 | |
| 250 | E | H | 0.0000 | |
| 251 | R | H | 0.0000 | |
| 252 | E | H | -2.1816 | |
| 253 | Q | H | -1.5911 | |
| 254 | P | H | -1.1499 | |
| 255 | P | H | -0.4985 | |
| 256 | R | H | -0.2849 | |
| 257 | F | H | -0.4673 | |
| 258 | A | H | 0.0000 | |
| 259 | Q | H | -1.4932 | |
| 260 | P | H | -1.2069 | |
| 261 | G | H | -1.0945 | |
| 262 | S | H | -0.8229 | |
| 263 | F | H | -0.8348 | |
| 264 | E | H | -0.7452 | |
| 265 | Y | H | -1.0410 | |
| 266 | E | H | -2.0325 | |
| 267 | Y | H | -1.3450 | |
| 268 | A | H | 0.0000 | |
| 269 | M | H | -0.8598 | |
| 270 | R | H | -2.1094 | |
| 271 | W | H | 0.0000 | |
| 272 | K | H | -0.9380 | |
| 273 | A | H | -1.0521 | |
| 274 | L | H | -0.9169 | |
| 275 | I | H | -1.3228 | |
| 276 | E | H | -2.5951 | |
| 277 | M | H | -1.3098 | |
| 278 | E | H | 0.0000 | |
| 279 | K | H | -3.3492 | |
| 280 | Q | H | -3.3080 | |
| 281 | Q | H | -2.6301 | |
| 282 | Q | H | -3.3239 | |
| 283 | D | H | -3.7717 | |
| 284 | Q | H | -3.9383 | |
| 285 | V | H | 0.0000 | |
| 286 | D | H | -3.8340 | |
| 287 | R | H | -4.6408 | |
| 288 | N | H | -3.9762 | |
| 289 | I | H | -3.3899 | |
| 290 | K | H | -4.6876 | |
| 291 | E | H | -4.8096 | |
| 292 | A | H | -3.3016 | |
| 293 | R | H | -3.3366 | |
| 294 | E | H | -3.9610 | |
| 295 | K | H | -3.5243 | |
| 296 | L | H | -2.4418 | |
| 297 | E | H | -2.1391 | |
| 298 | M | H | -1.2484 | |
| 299 | E | H | -2.1352 | |
| 300 | M | H | 0.0000 | |
| 301 | E | H | -1.2736 | |
| 302 | A | H | -1.5361 | |
| 303 | A | H | -1.7225 | |
| 304 | R | H | 0.0000 | |
| 305 | H | H | -2.5401 | |
| 306 | E | H | -2.9085 | |
| 307 | H | H | -2.1493 | |
| 308 | Q | H | -1.7988 | |
| 309 | V | H | -1.1394 | |
| 310 | M | H | 0.0708 | |
| 53 | E | I | -2.9202 | |
| 54 | G | I | -2.2949 | |
| 55 | L | I | -1.4676 | |
| 56 | T | I | -1.5310 | |
| 57 | I | I | 0.0000 | |
| 58 | D | I | -2.7591 | |
| 59 | L | I | 0.0000 | |
| 60 | K | I | -2.6396 | |
| 61 | N | I | -1.9924 | |
| 62 | F | I | -1.2309 | |
| 63 | R | I | -2.0849 | |
| 64 | K | I | -1.5991 | |
| 65 | P | I | -1.2976 | |
| 66 | G | I | -1.2464 | |
| 67 | E | I | -1.4576 | |
| 68 | K | I | -1.4124 | |
| 69 | T | I | -0.8275 | |
| 70 | F | I | -0.6031 | |
| 71 | T | I | 0.0000 | |
| 72 | Q | I | 0.0000 | |
| 73 | R | I | -0.5269 | |
| 74 | S | I | 0.0000 | |
| 75 | R | I | -0.5302 | |
| 76 | L | I | 0.0000 | |
| 77 | F | I | 0.0000 | |
| 78 | V | I | 0.0000 | |
| 79 | G | I | 0.0000 | |
| 80 | N | I | -1.2726 | |
| 81 | L | I | 0.0000 | |
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| 83 | P | I | -1.7538 | |
| 84 | D | I | -2.0613 | |
| 85 | I | I | -1.5917 | |
| 86 | T | I | -2.1519 | |
| 87 | E | I | -2.9517 | |
| 88 | E | I | -3.8742 | |
| 89 | E | I | -3.0876 | |
| 90 | M | I | 0.0000 | |
| 91 | R | I | -4.0316 | |
| 92 | K | I | -3.8919 | |
| 93 | L | I | -2.0890 | |
| 94 | F | I | 0.0000 | |
| 95 | E | I | -3.8398 | |
| 96 | K | I | -2.8083 | |
| 97 | Y | I | 0.0000 | |
| 98 | G | I | -1.9706 | |
| 99 | K | I | -2.5517 | |
| 100 | A | I | -1.7256 | |
| 101 | G | I | -0.9045 | |
| 102 | E | I | -0.4636 | |
| 103 | V | I | -0.3370 | |
| 104 | F | I | 0.6002 | |
| 105 | I | I | -0.2153 | |
| 106 | H | I | -1.3645 | |
| 107 | K | I | -2.6642 | |
| 108 | D | I | -3.0292 | |
| 109 | K | I | -2.1644 | |
| 110 | G | I | -1.4037 | |
| 111 | F | I | 0.0000 | |
| 112 | G | I | 0.0000 | |
| 113 | F | I | 0.4531 | |
| 114 | I | I | 0.0000 | |
| 115 | R | I | -0.7429 | |
| 116 | L | I | 0.0000 | |
| 117 | E | I | -1.2488 | |
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| 119 | R | I | -0.9137 | |
| 120 | T | I | 0.0000 | |
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| 122 | A | I | 0.0000 | |
| 123 | E | I | -0.6822 | |
| 124 | I | I | 0.0000 | |
| 125 | A | I | 0.0000 | |
| 126 | K | I | -0.7027 | |
| 127 | V | I | -0.9941 | |
| 128 | E | I | -1.3408 | |
| 129 | L | I | 0.0000 | |
| 130 | D | I | -1.3280 | |
| 131 | N | I | -1.9017 | |
| 132 | M | I | -1.2064 | |
| 133 | P | I | -1.4840 | |
| 134 | L | I | -1.3499 | |
| 135 | R | I | -2.2276 | |
| 136 | G | I | -1.7189 | |
| 137 | K | I | -2.0088 | |
| 138 | Q | I | -2.0806 | |
| 139 | L | I | 0.0000 | |
| 140 | R | I | -1.3191 | |
| 141 | V | I | 0.0000 | |
| 142 | R | I | -0.5519 | |
| 143 | F | I | -0.0661 | |
| 144 | A | I | 0.0000 | |
| 145 | C | I | -0.1186 | |
| 146 | H | I | -0.1441 | |
| 147 | S | I | -0.4395 | |
| 148 | A | I | 0.0000 | |
| 149 | S | I | 0.0000 | |
| 150 | L | I | 0.0000 | |
| 151 | T | I | -0.8552 | |
| 152 | V | I | 0.0000 | |
| 153 | R | I | -1.5312 | |
| 154 | N | I | -1.1062 | |
| 155 | L | I | 0.0000 | |
| 156 | P | I | 0.0000 | |
| 157 | Q | I | -1.0101 | |
| 158 | Y | I | -0.5707 | |
| 159 | V | I | 0.0000 | |
| 160 | S | I | 0.0000 | |
| 161 | N | I | -1.1332 | |
| 162 | E | I | -1.8603 | |
| 163 | L | I | 0.0000 | |
| 164 | L | I | 0.0000 | |
| 165 | E | I | -1.8979 | |
| 166 | E | I | -2.1290 | |
| 167 | A | I | 0.0000 | |
| 168 | F | I | 0.0000 | |
| 169 | S | I | -0.5086 | |
| 170 | V | I | 0.8512 | |
| 171 | F | I | 0.0000 | |
| 172 | G | I | -0.5985 | |
| 173 | Q | I | -1.2076 | |
| 174 | V | I | 0.0000 | |
| 175 | E | I | 0.0000 | |
| 176 | R | I | -1.1347 | |
| 177 | A | I | -1.0894 | |
| 178 | V | I | 0.0000 | |
| 179 | V | I | 0.0000 | |
| 180 | I | I | -1.1818 | |
| 181 | V | I | 0.0000 | |
| 182 | D | I | -2.8544 | |
| 183 | D | I | -3.4530 | |
| 184 | R | I | -3.5423 | |
| 185 | G | I | -2.6521 | |
| 186 | R | I | -3.0088 | |
| 187 | P | I | -1.7763 | |
| 188 | S | I | -1.0776 | |
| 189 | G | I | -1.2016 | |
| 190 | K | I | -1.3217 | |
| 191 | G | I | 0.0000 | |
| 192 | I | I | 0.0000 | |
| 193 | V | I | 0.0000 | |
| 194 | E | I | 0.0000 | |
| 195 | F | I | 0.0000 | |
| 196 | S | I | -0.6724 | |
| 197 | G | I | -0.8280 | |
| 198 | K | I | -1.5042 | |
| 199 | P | I | -1.4343 | |
| 200 | A | I | -1.1058 | |
| 201 | A | I | 0.0000 | |
| 202 | R | I | -2.5925 | |
| 203 | K | I | -2.5041 | |
| 204 | A | I | 0.0000 | |
| 205 | L | I | -2.1833 | |
| 206 | D | I | -3.4860 | |
| 207 | R | I | -2.9222 | |
| 208 | C | I | 0.0000 | |
| 209 | S | I | -2.0144 | |
| 210 | E | I | -2.7505 | |
| 211 | G | I | -1.6393 | |
| 212 | S | I | 0.0000 | |
| 213 | F | I | 0.0000 | |
| 214 | L | I | 0.0000 | |
| 215 | L | I | 0.0000 | |
| 216 | T | I | 0.0000 | |
| 217 | T | I | -1.3768 | |
| 218 | F | I | -0.6199 | |
| 219 | P | I | 0.0000 | |
| 220 | R | I | -0.3692 | |
| 221 | P | I | 0.0000 | |
| 222 | V | I | 0.0000 | |
| 223 | T | I | -0.7130 | |
| 224 | V | I | 0.0000 | |
| 225 | E | I | -1.2370 | |
| 226 | P | I | -0.9979 | |
| 227 | M | I | -0.9869 | |
| 228 | D | I | -2.1488 | |
| 229 | Q | I | -1.6369 | |
| 230 | L | I | -1.3828 | |
| 231 | D | I | -2.1376 | |
| 232 | D | I | -2.0154 | |
| 233 | E | I | -1.9539 | |
| 234 | E | I | -1.8266 | |
| 235 | G | I | 0.0000 | |
| 236 | L | I | -0.9891 | |
| 237 | P | I | 0.0000 | |
| 238 | E | I | -1.0329 | |
| 239 | K | I | -1.5067 | |
| 240 | L | I | 0.1132 | |
| 241 | V | I | 0.0000 | |
| 242 | I | I | 0.3182 | |
| 243 | K | I | -0.4308 | |
| 244 | N | I | -0.7154 | |
| 245 | Q | I | -0.5713 | |
| 246 | Q | I | 0.0000 | |
| 247 | F | I | 0.0000 | |
| 248 | H | I | 0.0000 | |
| 249 | K | I | -0.6838 | |
| 250 | E | I | 0.0000 | |
| 251 | R | I | -0.9110 | |
| 252 | E | I | -0.9744 | |
| 253 | Q | I | -0.9517 | |
| 254 | P | I | -0.9080 | |
| 255 | P | I | -0.4938 | |
| 256 | R | I | -0.2305 | |
| 257 | F | I | -0.5675 | |
| 258 | A | I | 0.0000 | |
| 259 | Q | I | -1.4494 | |
| 260 | P | I | -1.1114 | |
| 261 | G | I | -1.0005 | |
| 262 | S | I | -0.6759 | |
| 263 | F | I | -0.3769 | |
| 264 | E | I | 0.0000 | |
| 265 | Y | I | -0.7537 | |
| 266 | E | I | -1.4743 | |
| 267 | Y | I | -0.8339 | |
| 268 | A | I | 0.0000 | |
| 269 | M | I | -0.5718 | |
| 270 | R | I | -1.1808 | |
| 271 | W | I | 0.0000 | |
| 272 | K | I | -0.8383 | |
| 273 | A | I | -0.7538 | |
| 274 | L | I | -0.6943 | |
| 275 | I | I | -1.1168 | |
| 276 | E | I | -2.3275 | |
| 277 | M | I | -1.4805 | |
| 278 | E | I | 0.0000 | |
| 279 | K | I | -3.4598 | |
| 280 | Q | I | -3.4577 | |
| 281 | Q | I | -2.7973 | |
| 282 | Q | I | -3.5129 | |
| 283 | D | I | -4.2565 | |
| 284 | Q | I | -3.7844 | |
| 285 | V | I | 0.0000 | |
| 286 | D | I | -3.9905 | |
| 287 | R | I | -4.4464 | |
| 288 | N | I | -3.2866 | |
| 289 | I | I | -3.1294 | |
| 290 | K | I | -4.4564 | |
| 291 | E | I | -4.5990 | |
| 292 | A | I | -2.9473 | |
| 293 | R | I | -3.0451 | |
| 294 | E | I | -3.8289 | |
| 295 | K | I | -3.3182 | |
| 296 | L | I | 0.0000 | |
| 297 | E | I | -1.9965 | |
| 298 | M | I | -0.8364 | |
| 299 | E | I | -1.2100 | |
| 300 | M | I | 0.0000 | |
| 301 | E | I | -2.0735 | |
| 302 | A | I | -1.7087 | |
| 303 | A | I | -2.0329 | |
| 304 | R | I | -3.0716 | |
| 305 | H | I | -3.0590 | |
| 306 | E | I | -3.3151 | |
| 307 | H | I | -2.6318 | |
| 54 | G | J | -1.6152 | |
| 55 | L | J | -1.1434 | |
| 56 | T | J | -1.5102 | |
| 57 | I | J | 0.0000 | |
| 58 | D | J | -2.8712 | |
| 59 | L | J | 0.0000 | |
| 60 | K | J | -3.1723 | |
| 61 | N | J | -2.2527 | |
| 62 | F | J | -1.7904 | |
| 63 | R | J | -2.4701 | |
| 64 | K | J | -1.6668 | |
| 65 | P | J | -1.4407 | |
| 66 | G | J | -1.4079 | |
| 67 | E | J | -1.6306 | |
| 68 | K | J | -1.7048 | |
| 69 | T | J | -0.9693 | |
| 70 | F | J | -0.6009 | |
| 71 | T | J | 0.0000 | |
| 72 | Q | J | 0.0000 | |
| 73 | R | J | -0.4884 | |
| 74 | S | J | 0.0000 | |
| 75 | R | J | -0.2718 | |
| 76 | L | J | 0.0000 | |
| 77 | F | J | 0.6863 | |
| 78 | V | J | 0.0000 | |
| 79 | G | J | 0.0000 | |
| 80 | N | J | -2.2233 | |
| 81 | L | J | 0.0000 | |
| 82 | P | J | 0.0000 | |
| 83 | P | J | -2.4357 | |
| 84 | D | J | -2.5232 | |
| 85 | I | J | -1.9415 | |
| 86 | T | J | -2.3936 | |
| 87 | E | J | -2.9637 | |
| 88 | E | J | -3.8591 | |
| 89 | E | J | -3.3027 | |
| 90 | M | J | 0.0000 | |
| 91 | R | J | -3.6915 | |
| 92 | K | J | -3.9164 | |
| 93 | L | J | 0.0000 | |
| 94 | F | J | 0.0000 | |
| 95 | E | J | -3.9160 | |
| 96 | K | J | -2.9955 | |
| 97 | Y | J | 0.0000 | |
| 98 | G | J | -1.9779 | |
| 99 | K | J | -2.5359 | |
| 100 | A | J | -1.6008 | |
| 101 | G | J | -0.7898 | |
| 102 | E | J | -0.2728 | |
| 103 | V | J | -0.2055 | |
| 104 | F | J | 0.7305 | |
| 105 | I | J | -0.3664 | |
| 106 | H | J | -1.6085 | |
| 107 | K | J | -3.1011 | |
| 108 | D | J | -3.6654 | |
| 109 | K | J | -3.1801 | |
| 110 | G | J | -2.3460 | |
| 111 | F | J | -0.9266 | |
| 112 | G | J | 0.0000 | |
| 113 | F | J | 0.7603 | |
| 114 | I | J | 0.0000 | |
| 115 | R | J | -0.5704 | |
| 116 | L | J | 0.0000 | |
| 117 | E | J | -1.2675 | |
| 118 | T | J | 0.0000 | |
| 119 | R | J | -1.0359 | |
| 120 | T | J | 0.0000 | |
| 121 | L | J | 0.0000 | |
| 122 | A | J | 0.0000 | |
| 123 | E | J | -0.7089 | |
| 124 | I | J | 0.0000 | |
| 125 | A | J | 0.0000 | |
| 126 | K | J | -0.6018 | |
| 127 | V | J | 0.0000 | |
| 128 | E | J | 0.0000 | |
| 129 | L | J | 0.0000 | |
| 130 | D | J | -1.0569 | |
| 131 | N | J | -1.2308 | |
| 132 | M | J | -0.6664 | |
| 133 | P | J | -1.5754 | |
| 134 | L | J | -1.5986 | |
| 135 | R | J | -2.6185 | |
| 136 | G | J | -2.0626 | |
| 137 | K | J | -2.4684 | |
| 138 | Q | J | -2.4109 | |
| 139 | L | J | 0.0000 | |
| 140 | R | J | -1.5041 | |
| 141 | V | J | 0.0000 | |
| 142 | R | J | -0.3252 | |
| 143 | F | J | 0.2728 | |
| 144 | A | J | 0.5087 | |
| 145 | C | J | 0.3420 | |
| 146 | H | J | -0.0476 | |
| 147 | S | J | -0.4155 | |
| 148 | A | J | 0.0000 | |
| 149 | S | J | 0.0000 | |
| 150 | L | J | 0.0000 | |
| 151 | T | J | -0.8416 | |
| 152 | V | J | 0.0000 | |
| 153 | R | J | -1.4159 | |
| 154 | N | J | -0.9390 | |
| 155 | L | J | 0.0000 | |
| 156 | P | J | 0.0000 | |
| 157 | Q | J | -0.4413 | |
| 158 | Y | J | -0.0776 | |
| 159 | V | J | 0.0000 | |
| 160 | S | J | 0.0000 | |
| 161 | N | J | -1.0378 | |
| 162 | E | J | -1.8189 | |
| 163 | L | J | 0.0000 | |
| 164 | L | J | 0.0000 | |
| 165 | E | J | -1.8010 | |
| 166 | E | J | -2.0872 | |
| 167 | A | J | 0.0000 | |
| 168 | F | J | 0.0000 | |
| 169 | S | J | -0.5027 | |
| 170 | V | J | 0.8258 | |
| 171 | F | J | 0.0000 | |
| 172 | G | J | -0.8899 | |
| 173 | Q | J | -1.2156 | |
| 174 | V | J | 0.0000 | |
| 175 | E | J | 0.0000 | |
| 176 | R | J | -1.0481 | |
| 177 | A | J | -0.9232 | |
| 178 | V | J | 0.0000 | |
| 179 | V | J | 0.0000 | |
| 180 | I | J | -1.2633 | |
| 181 | V | J | 0.0000 | |
| 182 | D | J | -2.1138 | |
| 183 | D | J | -2.2432 | |
| 184 | R | J | -1.7761 | |
| 185 | G | J | -1.7035 | |
| 186 | R | J | -2.4519 | |
| 187 | P | J | -1.6187 | |
| 188 | S | J | -1.1574 | |
| 189 | G | J | -1.2874 | |
| 190 | K | J | -1.6633 | |
| 191 | G | J | 0.0000 | |
| 192 | I | J | -0.5752 | |
| 193 | V | J | 0.0000 | |
| 194 | E | J | 0.0000 | |
| 195 | F | J | 0.0000 | |
| 196 | S | J | -0.9156 | |
| 197 | G | J | -1.3889 | |
| 198 | K | J | -2.2265 | |
| 199 | P | J | -2.1155 | |
| 200 | A | J | -1.7719 | |
| 201 | A | J | 0.0000 | |
| 202 | R | J | -3.6711 | |
| 203 | K | J | -3.4357 | |
| 204 | A | J | 0.0000 | |
| 205 | L | J | -2.5696 | |
| 206 | D | J | -3.8990 | |
| 207 | R | J | -3.4159 | |
| 208 | C | J | 0.0000 | |
| 209 | S | J | -2.0941 | |
| 210 | E | J | -2.7973 | |
| 211 | G | J | -1.7759 | |
| 212 | S | J | 0.0000 | |
| 213 | F | J | 0.0000 | |
| 214 | L | J | 0.0000 | |
| 215 | L | J | 0.0000 | |
| 216 | T | J | 0.0000 | |
| 217 | T | J | 0.0000 | |
| 218 | F | J | 0.0000 | |
| 219 | P | J | 0.0000 | |
| 220 | R | J | -0.4323 | |
| 221 | P | J | 0.0000 | |
| 222 | V | J | 0.0000 | |
| 223 | T | J | -0.5890 | |
| 224 | V | J | -0.7061 | |
| 225 | E | J | -1.1537 | |
| 226 | P | J | -1.1108 | |
| 227 | M | J | -0.9735 | |
| 228 | D | J | -2.2524 | |
| 229 | Q | J | -1.8700 | |
| 230 | L | J | -1.7494 | |
| 231 | D | J | -2.2830 | |
| 232 | D | J | -2.0693 | |
| 233 | E | J | -2.4416 | |
| 234 | E | J | -1.9376 | |
| 235 | G | J | 0.0000 | |
| 236 | L | J | 0.0000 | |
| 237 | P | J | -0.6201 | |
| 238 | E | J | -0.8052 | |
| 239 | K | J | -1.0890 | |
| 240 | L | J | 0.8548 | |
| 241 | V | J | 0.0000 | |
| 242 | I | J | 0.9510 | |
| 243 | K | J | -1.5550 | |
| 244 | N | J | -1.8232 | |
| 245 | Q | J | -2.5459 | |
| 246 | Q | J | -2.4301 | |
| 247 | F | J | 0.0000 | |
| 248 | H | J | -3.4500 | |
| 249 | K | J | -3.3042 | |
| 250 | E | J | 0.0000 | |
| 251 | R | J | -2.7744 | |
| 252 | E | J | -3.2219 | |
| 253 | Q | J | -2.2525 | |
| 254 | P | J | -1.4010 | |
| 255 | P | J | -0.5449 | |
| 256 | R | J | -0.2670 | |
| 257 | F | J | -0.2951 | |
| 258 | A | J | 0.0000 | |
| 259 | Q | J | -1.5202 | |
| 260 | P | J | -1.1959 | |
| 261 | G | J | -1.1008 | |
| 262 | S | J | -0.8354 | |
| 263 | F | J | -0.8243 | |
| 264 | E | J | -0.9712 | |
| 265 | Y | J | -1.0956 | |
| 266 | E | J | -1.9922 | |
| 267 | Y | J | 0.0000 | |
| 268 | A | J | 0.0000 | |
| 269 | M | J | -0.7135 | |
| 270 | R | J | -1.4746 | |
| 271 | W | J | 0.0000 | |
| 272 | K | J | -0.8133 | |
| 273 | A | J | -0.8304 | |
| 274 | L | J | -0.8031 | |
| 275 | I | J | 0.0000 | |
| 276 | E | J | -2.4507 | |
| 277 | M | J | -1.2867 | |
| 278 | E | J | 0.0000 | |
| 279 | K | J | -2.9689 | |
| 280 | Q | J | -3.2276 | |
| 281 | Q | J | -2.6205 | |
| 282 | Q | J | -3.3210 | |
| 283 | D | J | -3.9985 | |
| 284 | Q | J | -4.1173 | |
| 285 | V | J | 0.0000 | |
| 286 | D | J | -4.3375 | |
| 287 | R | J | -4.9192 | |
| 288 | N | J | -4.3944 | |
| 289 | I | J | -3.6081 | |
| 290 | K | J | -4.8293 | |
| 291 | E | J | -4.8977 | |
| 292 | A | J | -3.3526 | |
| 293 | R | J | -3.2238 | |
| 294 | E | J | -4.0124 | |
| 295 | K | J | -3.4290 | |
| 296 | L | J | 0.0000 | |
| 297 | E | J | -2.0431 | |
| 298 | M | J | -1.1149 | |
| 299 | E | J | -1.6580 | |
| 300 | M | J | 0.0000 | |
| 301 | E | J | -1.2710 | |
| 302 | A | J | -1.0756 | |
| 303 | A | J | -0.8908 | |
| 304 | R | J | 0.0000 | |
| 305 | H | J | -1.2123 | |
| 306 | E | J | -1.4605 | |
| 307 | H | J | -0.6326 | |
| 308 | Q | J | 0.0000 | |
| 309 | V | J | 0.0000 | |
| 310 | M | J | 1.0762 | |
| 311 | L | J | 1.6455 | |
| 312 | M | J | 1.1376 | |
| 54 | G | K | -1.6789 | |
| 55 | L | K | -1.1480 | |
| 56 | T | K | -1.5752 | |
| 57 | I | K | 0.0000 | |
| 58 | D | K | -2.6267 | |
| 59 | L | K | 0.0000 | |
| 60 | K | K | -3.0128 | |
| 61 | N | K | -2.2814 | |
| 62 | F | K | 0.0000 | |
| 63 | R | K | -2.3417 | |
| 64 | K | K | -1.8189 | |
| 65 | P | K | -1.4960 | |
| 66 | G | K | -1.5271 | |
| 67 | E | K | -1.7910 | |
| 68 | K | K | -1.6777 | |
| 69 | T | K | -0.8151 | |
| 70 | F | K | -0.3017 | |
| 71 | T | K | 0.0000 | |
| 72 | Q | K | 0.0000 | |
| 73 | R | K | -0.5937 | |
| 74 | S | K | 0.0000 | |
| 75 | R | K | -0.4537 | |
| 76 | L | K | 0.0000 | |
| 77 | F | K | 0.0000 | |
| 78 | V | K | 0.0000 | |
| 79 | G | K | 0.0000 | |
| 80 | N | K | -1.6096 | |
| 81 | L | K | 0.0000 | |
| 82 | P | K | 0.0000 | |
| 83 | P | K | -2.0912 | |
| 84 | D | K | -2.3945 | |
| 85 | I | K | -1.9731 | |
| 86 | T | K | -2.3267 | |
| 87 | E | K | -2.9651 | |
| 88 | E | K | -3.7377 | |
| 89 | E | K | -2.9694 | |
| 90 | M | K | 0.0000 | |
| 91 | R | K | -3.6861 | |
| 92 | K | K | -3.7705 | |
| 93 | L | K | -2.1593 | |
| 94 | F | K | 0.0000 | |
| 95 | E | K | -3.7672 | |
| 96 | K | K | -2.8095 | |
| 97 | Y | K | 0.0000 | |
| 98 | G | K | -1.7775 | |
| 99 | K | K | -2.3720 | |
| 100 | A | K | -1.5140 | |
| 101 | G | K | -0.7879 | |
| 102 | E | K | -0.3839 | |
| 103 | V | K | -0.4394 | |
| 104 | F | K | 0.2894 | |
| 105 | I | K | -0.4776 | |
| 106 | H | K | -1.5208 | |
| 107 | K | K | -2.8595 | |
| 108 | D | K | -3.2937 | |
| 109 | K | K | -2.3220 | |
| 110 | G | K | -1.6392 | |
| 111 | F | K | 0.0000 | |
| 112 | G | K | 0.0000 | |
| 113 | F | K | 0.3695 | |
| 114 | I | K | 0.0000 | |
| 115 | R | K | -0.5572 | |
| 116 | L | K | 0.0000 | |
| 117 | E | K | 0.0000 | |
| 118 | T | K | 0.0000 | |
| 119 | R | K | -0.9741 | |
| 120 | T | K | 0.0000 | |
| 121 | L | K | 0.0000 | |
| 122 | A | K | 0.0000 | |
| 123 | E | K | -0.8955 | |
| 124 | I | K | 0.0000 | |
| 125 | A | K | 0.0000 | |
| 126 | K | K | -0.8750 | |
| 127 | V | K | -1.2850 | |
| 128 | E | K | -1.5876 | |
| 129 | L | K | 0.0000 | |
| 130 | D | K | -1.5252 | |
| 131 | N | K | -2.0177 | |
| 132 | M | K | -1.0366 | |
| 133 | P | K | -1.5033 | |
| 134 | L | K | -1.3010 | |
| 135 | R | K | -2.0613 | |
| 136 | G | K | -1.6911 | |
| 137 | K | K | -2.1183 | |
| 138 | Q | K | -2.1920 | |
| 139 | L | K | 0.0000 | |
| 140 | R | K | -1.5842 | |
| 141 | V | K | 0.0000 | |
| 142 | R | K | -0.5257 | |
| 143 | F | K | -0.1534 | |
| 144 | A | K | 0.0000 | |
| 145 | C | K | -0.1225 | |
| 146 | H | K | -0.2020 | |
| 147 | S | K | -0.5356 | |
| 148 | A | K | 0.0000 | |
| 149 | S | K | 0.0000 | |
| 150 | L | K | 0.0000 | |
| 151 | T | K | -1.1604 | |
| 152 | V | K | 0.0000 | |
| 153 | R | K | -1.6472 | |
| 154 | N | K | 0.0000 | |
| 155 | L | K | 0.0000 | |
| 156 | P | K | 0.0000 | |
| 157 | Q | K | -1.2418 | |
| 158 | Y | K | -0.8872 | |
| 159 | V | K | 0.0000 | |
| 160 | S | K | 0.0000 | |
| 161 | N | K | -1.2125 | |
| 162 | E | K | -2.1316 | |
| 163 | L | K | 0.0000 | |
| 164 | L | K | 0.0000 | |
| 165 | E | K | -1.9333 | |
| 166 | E | K | -2.2788 | |
| 167 | A | K | 0.0000 | |
| 168 | F | K | 0.0000 | |
| 169 | S | K | -0.4870 | |
| 170 | V | K | 0.8297 | |
| 171 | F | K | 0.0000 | |
| 172 | G | K | -0.5831 | |
| 173 | Q | K | -1.3871 | |
| 174 | V | K | 0.0000 | |
| 175 | E | K | 0.0000 | |
| 176 | R | K | -1.2877 | |
| 177 | A | K | -1.2282 | |
| 178 | V | K | 0.0000 | |
| 179 | V | K | 0.0000 | |
| 180 | I | K | -1.3076 | |
| 181 | V | K | 0.0000 | |
| 182 | D | K | -2.8876 | |
| 183 | D | K | -3.4912 | |
| 184 | R | K | -3.5376 | |
| 185 | G | K | -2.5490 | |
| 186 | R | K | -2.9495 | |
| 187 | P | K | -1.8244 | |
| 188 | S | K | -1.0050 | |
| 189 | G | K | -1.2456 | |
| 190 | K | K | -1.4403 | |
| 191 | G | K | 0.0000 | |
| 192 | I | K | 0.0000 | |
| 193 | V | K | 0.0000 | |
| 194 | E | K | 0.0000 | |
| 195 | F | K | 0.0000 | |
| 196 | S | K | -0.7373 | |
| 197 | G | K | -0.8314 | |
| 198 | K | K | -1.6521 | |
| 199 | P | K | -1.6672 | |
| 200 | A | K | 0.0000 | |
| 201 | A | K | 0.0000 | |
| 202 | R | K | -2.5249 | |
| 203 | K | K | -2.7611 | |
| 204 | A | K | 0.0000 | |
| 205 | L | K | -2.4763 | |
| 206 | D | K | -3.7897 | |
| 207 | R | K | -3.5102 | |
| 208 | C | K | 0.0000 | |
| 209 | S | K | -2.3013 | |
| 210 | E | K | -2.9408 | |
| 211 | G | K | -1.8371 | |
| 212 | S | K | 0.0000 | |
| 213 | F | K | 0.0000 | |
| 214 | L | K | 0.0000 | |
| 215 | L | K | 0.0000 | |
| 216 | T | K | 0.0000 | |
| 217 | T | K | -1.4104 | |
| 218 | F | K | -0.6652 | |
| 219 | P | K | 0.0000 | |
| 220 | R | K | -0.3633 | |
| 221 | P | K | 0.0000 | |
| 222 | V | K | 0.0000 | |
| 223 | T | K | -0.8379 | |
| 224 | V | K | 0.0000 | |
| 225 | E | K | -1.9017 | |
| 226 | P | K | -1.2648 | |
| 227 | M | K | -1.1492 | |
| 228 | D | K | -2.1697 | |
| 229 | Q | K | -1.6198 | |
| 230 | L | K | -1.3179 | |
| 231 | D | K | -1.9686 | |
| 232 | D | K | -2.0920 | |
| 233 | E | K | -2.1340 | |
| 234 | E | K | -1.8116 | |
| 235 | G | K | 0.0000 | |
| 236 | L | K | -1.1550 | |
| 237 | P | K | 0.0000 | |
| 238 | E | K | -1.3263 | |
| 239 | K | K | -1.7293 | |
| 240 | L | K | -0.1585 | |
| 241 | V | K | 0.0000 | |
| 242 | I | K | -0.0061 | |
| 243 | K | K | -1.0449 | |
| 244 | N | K | -1.1863 | |
| 245 | Q | K | -1.2401 | |
| 246 | Q | K | -1.7414 | |
| 247 | F | K | 0.0000 | |
| 248 | H | K | 0.0000 | |
| 249 | K | K | -2.4039 | |
| 250 | E | K | 0.0000 | |
| 251 | R | K | -1.9535 | |
| 252 | E | K | -2.8531 | |
| 253 | Q | K | -1.7571 | |
| 254 | P | K | -1.1746 | |
| 255 | P | K | -0.5498 | |
| 256 | R | K | -0.0459 | |
| 257 | F | K | -0.1585 | |
| 258 | A | K | 0.0000 | |
| 259 | Q | K | -1.2698 | |
| 260 | P | K | -0.9637 | |
| 261 | G | K | -0.8909 | |
| 262 | S | K | -0.7599 | |
| 263 | F | K | -0.3772 | |
| 264 | E | K | -0.5437 | |
| 265 | Y | K | -0.5780 | |
| 266 | E | K | -1.3064 | |
| 267 | Y | K | 0.0000 | |
| 268 | A | K | 0.0000 | |
| 269 | M | K | -0.5280 | |
| 270 | R | K | -1.3393 | |
| 271 | W | K | 0.0000 | |
| 272 | K | K | -0.7585 | |
| 273 | A | K | -0.7808 | |
| 274 | L | K | -0.7147 | |
| 275 | I | K | -1.0911 | |
| 276 | E | K | -2.2206 | |
| 277 | M | K | -1.3445 | |
| 278 | E | K | 0.0000 | |
| 279 | K | K | -3.2566 | |
| 280 | Q | K | -3.2654 | |
| 281 | Q | K | -2.6890 | |
| 282 | Q | K | -3.2274 | |
| 283 | D | K | -3.8871 | |
| 284 | Q | K | -3.8221 | |
| 285 | V | K | 0.0000 | |
| 286 | D | K | -3.7332 | |
| 287 | R | K | -4.4097 | |
| 288 | N | K | -3.4573 | |
| 289 | I | K | -3.1162 | |
| 290 | K | K | -4.4661 | |
| 291 | E | K | -4.5967 | |
| 292 | A | K | -3.1408 | |
| 293 | R | K | -3.1479 | |
| 294 | E | K | -4.0182 | |
| 295 | K | K | -3.5863 | |
| 296 | L | K | -2.6014 | |
| 297 | E | K | -2.6752 | |
| 298 | M | K | -1.7517 | |
| 299 | E | K | -2.7076 | |
| 300 | M | K | 0.0000 | |
| 301 | E | K | -2.9288 | |
| 302 | A | K | -2.3143 | |
| 303 | A | K | -2.3850 | |
| 304 | R | K | -2.6797 | |
| 305 | H | K | -2.1865 | |
| 306 | E | K | -2.1403 | |
| 307 | H | K | -1.1780 | |
| 308 | Q | K | 0.1193 | |
| 309 | V | K | 1.6156 | |
| 310 | M | K | 2.1269 | |
| 311 | L | K | 2.5195 | |
| 312 | M | K | 2.4478 | |
| 53 | E | L | -2.4216 | |
| 54 | G | L | -2.4009 | |
| 55 | L | L | -1.5591 | |
| 56 | T | L | -1.6164 | |
| 57 | I | L | 0.0000 | |
| 58 | D | L | -2.8317 | |
| 59 | L | L | 0.0000 | |
| 60 | K | L | -2.8650 | |
| 61 | N | L | -2.3783 | |
| 62 | F | L | -1.7302 | |
| 63 | R | L | -2.8288 | |
| 64 | K | L | -1.9589 | |
| 65 | P | L | -1.3903 | |
| 66 | G | L | -1.6024 | |
| 67 | E | L | -1.8193 | |
| 68 | K | L | -1.7907 | |
| 69 | T | L | -1.1134 | |
| 70 | F | L | -0.6846 | |
| 71 | T | L | -0.6637 | |
| 72 | Q | L | 0.0000 | |
| 73 | R | L | -0.5426 | |
| 74 | S | L | 0.0000 | |
| 75 | R | L | -0.3112 | |
| 76 | L | L | 0.0000 | |
| 77 | F | L | 0.3822 | |
| 78 | V | L | 0.0000 | |
| 79 | G | L | 0.0000 | |
| 80 | N | L | -2.1434 | |
| 81 | L | L | 0.0000 | |
| 82 | P | L | 0.0000 | |
| 83 | P | L | -2.3847 | |
| 84 | D | L | -2.3808 | |
| 85 | I | L | 0.0000 | |
| 86 | T | L | -2.5008 | |
| 87 | E | L | -2.9974 | |
| 88 | E | L | -3.8047 | |
| 89 | E | L | -3.0516 | |
| 90 | M | L | 0.0000 | |
| 91 | R | L | -3.7072 | |
| 92 | K | L | -3.7120 | |
| 93 | L | L | -2.0605 | |
| 94 | F | L | 0.0000 | |
| 95 | E | L | -3.5712 | |
| 96 | K | L | -2.3497 | |
| 97 | Y | L | 0.0000 | |
| 98 | G | L | -1.8064 | |
| 99 | K | L | -2.4930 | |
| 100 | A | L | -1.6759 | |
| 101 | G | L | -0.8684 | |
| 102 | E | L | -0.2905 | |
| 103 | V | L | -0.3123 | |
| 104 | F | L | 0.5916 | |
| 105 | I | L | -0.5027 | |
| 106 | H | L | -1.7640 | |
| 107 | K | L | -3.3278 | |
| 108 | D | L | -3.5072 | |
| 109 | K | L | -3.1956 | |
| 110 | G | L | -2.4311 | |
| 111 | F | L | -0.9798 | |
| 112 | G | L | 0.0000 | |
| 113 | F | L | 0.6934 | |
| 114 | I | L | 0.0000 | |
| 115 | R | L | -0.6478 | |
| 116 | L | L | 0.0000 | |
| 117 | E | L | -1.4164 | |
| 118 | T | L | 0.0000 | |
| 119 | R | L | -1.0639 | |
| 120 | T | L | -0.9199 | |
| 121 | L | L | 0.0000 | |
| 122 | A | L | 0.0000 | |
| 123 | E | L | -0.6794 | |
| 124 | I | L | 0.0000 | |
| 125 | A | L | 0.0000 | |
| 126 | K | L | -0.7288 | |
| 127 | V | L | 0.0000 | |
| 128 | E | L | 0.0000 | |
| 129 | L | L | 0.0000 | |
| 130 | D | L | -1.5491 | |
| 131 | N | L | -2.1492 | |
| 132 | M | L | -1.1674 | |
| 133 | P | L | -1.6070 | |
| 134 | L | L | -1.3038 | |
| 135 | R | L | -2.0283 | |
| 136 | G | L | -1.7084 | |
| 137 | K | L | -2.3716 | |
| 138 | Q | L | -2.5293 | |
| 139 | L | L | 0.0000 | |
| 140 | R | L | -2.2767 | |
| 141 | V | L | 0.0000 | |
| 142 | R | L | -0.4745 | |
| 143 | F | L | 0.3168 | |
| 144 | A | L | 0.4189 | |
| 145 | C | L | 0.1505 | |
| 146 | H | L | 0.0000 | |
| 147 | S | L | -0.4195 | |
| 148 | A | L | 0.0000 | |
| 149 | S | L | -0.7868 | |
| 150 | L | L | 0.0000 | |
| 151 | T | L | -0.9620 | |
| 152 | V | L | 0.0000 | |
| 153 | R | L | -1.7443 | |
| 154 | N | L | -1.0901 | |
| 155 | L | L | 0.0000 | |
| 156 | P | L | -0.6228 | |
| 157 | Q | L | -0.7574 | |
| 158 | Y | L | -0.5359 | |
| 159 | V | L | 0.0000 | |
| 160 | S | L | 0.0000 | |
| 161 | N | L | -1.4014 | |
| 162 | E | L | -2.5333 | |
| 163 | L | L | 0.0000 | |
| 164 | L | L | 0.0000 | |
| 165 | E | L | -2.1123 | |
| 166 | E | L | -2.2743 | |
| 167 | A | L | 0.0000 | |
| 168 | F | L | 0.0000 | |
| 169 | S | L | -0.5175 | |
| 170 | V | L | 0.8864 | |
| 171 | F | L | 0.0000 | |
| 172 | G | L | -0.6098 | |
| 173 | Q | L | -1.2435 | |
| 174 | V | L | 0.0000 | |
| 175 | E | L | -1.1633 | |
| 176 | R | L | -1.2993 | |
| 177 | A | L | 0.0000 | |
| 178 | V | L | 0.0000 | |
| 179 | V | L | 0.0000 | |
| 180 | I | L | -1.2066 | |
| 181 | V | L | 0.0000 | |
| 182 | D | L | 0.0000 | |
| 183 | D | L | -2.3898 | |
| 184 | R | L | -2.5376 | |
| 185 | G | L | -2.0148 | |
| 186 | R | L | -2.4866 | |
| 187 | P | L | -1.5680 | |
| 188 | S | L | -1.0681 | |
| 189 | G | L | -1.4037 | |
| 190 | K | L | -1.7964 | |
| 191 | G | L | 0.0000 | |
| 192 | I | L | -0.6510 | |
| 193 | V | L | 0.0000 | |
| 194 | E | L | 0.0000 | |
| 195 | F | L | 0.0000 | |
| 196 | S | L | -0.9826 | |
| 197 | G | L | -1.4211 | |
| 198 | K | L | -2.1708 | |
| 199 | P | L | -1.8710 | |
| 200 | A | L | -1.7560 | |
| 201 | A | L | 0.0000 | |
| 202 | R | L | -3.4019 | |
| 203 | K | L | -2.9154 | |
| 204 | A | L | 0.0000 | |
| 205 | L | L | -2.4236 | |
| 206 | D | L | -3.8576 | |
| 207 | R | L | -3.5364 | |
| 208 | C | L | 0.0000 | |
| 209 | S | L | -2.2197 | |
| 210 | E | L | -2.8896 | |
| 211 | G | L | -1.7666 | |
| 212 | S | L | 0.0000 | |
| 213 | F | L | 0.0000 | |
| 214 | L | L | 0.0000 | |
| 215 | L | L | 0.0000 | |
| 216 | T | L | 0.0000 | |
| 217 | T | L | -1.1293 | |
| 218 | F | L | -0.5489 | |
| 219 | P | L | 0.0000 | |
| 220 | R | L | -0.3507 | |
| 221 | P | L | 0.0000 | |
| 222 | V | L | 0.0000 | |
| 223 | T | L | -0.7167 | |
| 224 | V | L | -0.9701 | |
| 225 | E | L | -1.2874 | |
| 226 | P | L | -1.1386 | |
| 227 | M | L | -0.9687 | |
| 228 | D | L | -2.3080 | |
| 229 | Q | L | -1.9298 | |
| 230 | L | L | -1.8986 | |
| 231 | D | L | -2.5719 | |
| 232 | D | L | -2.2880 | |
| 233 | E | L | -2.7584 | |
| 234 | E | L | -2.0845 | |
| 235 | G | L | 0.0000 | |
| 236 | L | L | -0.9268 | |
| 237 | P | L | -0.5921 | |
| 238 | E | L | -0.8391 | |
| 239 | K | L | -1.0982 | |
| 240 | L | L | 0.8941 | |
| 241 | V | L | 0.0000 | |
| 242 | I | L | 0.9159 | |
| 243 | K | L | -1.5540 | |
| 244 | N | L | -1.8744 | |
| 245 | Q | L | -2.7971 | |
| 246 | Q | L | -3.0715 | |
| 247 | F | L | 0.0000 | |
| 248 | H | L | -3.6600 | |
| 249 | K | L | -3.6586 | |
| 250 | E | L | 0.0000 | |
| 251 | R | L | -2.5835 | |
| 252 | E | L | -3.2290 | |
| 253 | Q | L | -2.0539 | |
| 254 | P | L | -1.2796 | |
| 255 | P | L | -0.4750 | |
| 256 | R | L | -0.2146 | |
| 257 | F | L | -0.3401 | |
| 258 | A | L | 0.0000 | |
| 259 | Q | L | -1.4795 | |
| 260 | P | L | -1.1598 | |
| 261 | G | L | -1.0932 | |
| 262 | S | L | -0.8944 | |
| 263 | F | L | -1.0581 | |
| 264 | E | L | -0.8273 | |
| 265 | Y | L | -0.9451 | |
| 266 | E | L | -1.6124 | |
| 267 | Y | L | 0.0000 | |
| 268 | A | L | 0.0000 | |
| 269 | M | L | -0.5653 | |
| 270 | R | L | -1.1365 | |
| 271 | W | L | 0.0000 | |
| 272 | K | L | -0.9085 | |
| 273 | A | L | -0.8023 | |
| 274 | L | L | 0.0000 | |
| 275 | I | L | -1.2330 | |
| 276 | E | L | -2.5064 | |
| 277 | M | L | -1.3357 | |
| 278 | E | L | 0.0000 | |
| 279 | K | L | -3.3722 | |
| 280 | Q | L | -3.2972 | |
| 281 | Q | L | -2.7041 | |
| 282 | Q | L | -3.2410 | |
| 283 | D | L | -3.7389 | |
| 284 | Q | L | -3.8791 | |
| 285 | V | L | 0.0000 | |
| 286 | D | L | -3.7191 | |
| 287 | R | L | -4.4529 | |
| 288 | N | L | -3.8079 | |
| 289 | I | L | -3.1813 | |
| 290 | K | L | -4.4697 | |
| 291 | E | L | -4.3598 | |
| 292 | A | L | -3.3228 | |
| 293 | R | L | -3.3045 | |
| 294 | E | L | -4.2220 | |
| 295 | K | L | -3.6729 | |
| 296 | L | L | 0.0000 | |
| 297 | E | L | -2.5341 | |
| 298 | M | L | -1.2820 | |
| 299 | E | L | -1.7437 | |
| 300 | M | L | 0.0000 | |
| 301 | E | L | -1.6837 | |
| 302 | A | L | -1.7380 | |
| 303 | A | L | -1.9338 | |
| 304 | R | L | -2.5785 | |
| 305 | H | L | -2.6528 | |
| 306 | E | L | -3.1296 | |
| 307 | H | L | -2.3395 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -1.0202 | 2.9672 | View | CSV | PDB |
| 4.5 | -1.1115 | 2.9672 | View | CSV | PDB |
| 5.0 | -1.2261 | 2.9672 | View | CSV | PDB |
| 5.5 | -1.3425 | 2.9672 | View | CSV | PDB |
| 6.0 | -1.4381 | 2.9672 | View | CSV | PDB |
| 6.5 | -1.4948 | 2.9672 | View | CSV | PDB |
| 7.0 | -1.5087 | 2.9672 | View | CSV | PDB |
| 7.5 | -1.4916 | 2.9672 | View | CSV | PDB |
| 8.0 | -1.4573 | 2.9672 | View | CSV | PDB |
| 8.5 | -1.4121 | 2.9672 | View | CSV | PDB |
| 9.0 | -1.3564 | 2.9672 | View | CSV | PDB |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine