| Chain sequence(s) |
A: DIVMTQSPDSLAVSLGERATINCKSSQSVTFNYKNYLAWYQQKPGQPPKLLIYWASTRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQHYRTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
C: QVQLVESGGGVVQPGRSLRLSCAASGFTFSTYAMHWVRQAPGKGLEWVAVISYDANYKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKDSQLRSLLYFEWLSQGYFDYWGQGTLVTVSSGSASAPTLFPLVSCENSPSDTSSVAVGCLAQDFLPDSITFSWKYKNNSDISSTRGFPSVLRGGKYAATSQVLLPSKDVMQGTDEHVVCKVQHPNGNKEKNVPLPVIAELPPKVSVFVPPRDGFFGNPRKSKLICQATGFSPRQIQVSWLREGKQVGSGVTTDQVQAEAKESGPTTYKVTSTLTIKESDWLSQSMFTCRVDHRGLTFQQNASSMCVPDQDTAIRVFAIPPSFASIFLTKSTKLTCLVTDLTTYDSVTISWTRQNGEAVKTHTNISESHPNATFSAVGEASICEDDWNSGERFTCTVTHTDLPSPLKQTISRPKGVALHRPDVYLLPPAREQLNLRESATITCLVTGFSPADVFVQWMQRGQPLSPEKYVTSAPMPEPQAPGRYFAHSILTVSEEEWNTGETYTCVVAHEALPNRVTERTVDKSTGKPTLYNVSLVMSDTAGTSY B: DIVMTQSPDSLAVSLGERATINCKSSQSVTFNYKNYLAWYQQKPGQPPKLLIYWASTRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQHYRTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC D: QVQLVESGGGVVQPGRSLRLSCAASGFTFSTYAMHWVRQAPGKGLEWVAVISYDANYKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKDSQLRSLLYFEWLSQGYFDYWGQGTLVTVSSGSASAPTLFPLVSCENSPSDTSSVAVGCLAQDFLPDSITFSWKYKNNSDISSTRGFPSVLRGGKYAATSQVLLPSKDVMQGTDEHVVCKVQHPNGNKEKNVPLPVIAELPPKVSVFVPPRDGFFGNPRKSKLICQATGFSPRQIQVSWLREGKQVGSGVTTDQVQAEAKESGPTTYKVTSTLTIKESDWLSQSMFTCRVDHRGLTFQQNASSMCVPDQDTAIRVFAIPPSFASIFLTKSTKLTCLVTDLTTYDSVTISWTRQNGEAVKTHTNISESHPNATFSAVGEASICEDDWNSGERFTCTVTHTDLPSPLKQTISRPKGVALHRPDVYLLPPAREQLNLRESATITCLVTGFSPADVFVQWMQRGQPLSPEKYVTSAPMPEPQAPGRYFAHSILTVSEEEWNTGETYTCVVAHEALPNRVTERTVDKSTGKPTLYNVSLVMSDTAGTSY input PDB |
| Selected Chain(s) | A,C,B,D |
| 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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:18:24)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ab3da23b71d7674/tmp/folded.pdb (00:18:24)
[INFO] Main: Simulation completed successfully. (00:26:52)
|
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 |
|---|---|---|---|---|
| 1 | D | A | -1.5951 | |
| 2 | I | A | 0.0000 | |
| 3 | V | A | 0.8776 | |
| 4 | M | A | 0.0000 | |
| 5 | T | A | -0.6687 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -1.2686 | |
| 8 | P | A | -1.2435 | |
| 9 | D | A | -2.2293 | |
| 10 | S | A | -1.2093 | |
| 11 | L | A | -0.5039 | |
| 12 | A | A | -0.2288 | |
| 13 | V | A | -0.8749 | |
| 14 | S | A | -0.9170 | |
| 15 | L | A | -0.0058 | |
| 16 | G | A | -1.1444 | |
| 17 | E | A | -2.6435 | |
| 18 | R | A | -2.7225 | |
| 19 | A | A | 0.0000 | |
| 20 | T | A | -0.6324 | |
| 21 | I | A | 0.0000 | |
| 22 | N | A | -1.5134 | |
| 23 | C | A | 0.0000 | |
| 24 | K | A | -1.7223 | |
| 25 | S | A | 0.0000 | |
| 26 | S | A | -0.6520 | |
| 27 | Q | A | -1.1009 | |
| 28 | S | A | -0.7668 | |
| 29 | V | A | 0.0000 | |
| 30 | T | A | 0.0105 | |
| 31 | F | A | 0.4801 | |
| 32 | N | A | -0.4532 | |
| 33 | Y | A | 0.5230 | |
| 34 | K | A | -0.4277 | |
| 35 | N | A | -0.2865 | |
| 36 | Y | A | 0.0000 | |
| 37 | L | A | 0.0000 | |
| 38 | A | A | 0.0000 | |
| 39 | W | A | 0.0000 | |
| 40 | Y | A | 0.0000 | |
| 41 | Q | A | -0.8587 | |
| 42 | Q | A | 0.0000 | |
| 43 | K | A | -1.6013 | |
| 44 | P | A | -1.1463 | |
| 45 | G | A | -1.3435 | |
| 46 | Q | A | -1.6857 | |
| 47 | P | A | -1.3110 | |
| 48 | P | A | 0.0000 | |
| 49 | K | A | -1.8412 | |
| 50 | L | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | I | A | 0.0000 | |
| 53 | Y | A | -0.0982 | |
| 54 | W | A | -0.0578 | |
| 55 | A | A | 0.0000 | |
| 56 | S | A | -0.5702 | |
| 57 | T | A | -0.6062 | |
| 58 | R | A | -1.4939 | |
| 59 | E | A | -1.2299 | |
| 60 | S | A | -0.8129 | |
| 61 | G | A | -0.9669 | |
| 62 | V | A | -1.1280 | |
| 63 | P | A | -1.3681 | |
| 64 | D | A | -2.1832 | |
| 65 | R | A | -1.4638 | |
| 66 | F | A | 0.0000 | |
| 67 | S | A | -0.8774 | |
| 68 | G | A | -0.5203 | |
| 69 | S | A | -0.7965 | |
| 70 | G | A | -1.2300 | |
| 71 | S | A | -0.9013 | |
| 72 | G | A | -0.8753 | |
| 73 | T | A | -1.5993 | |
| 74 | D | A | -2.5105 | |
| 75 | F | A | 0.0000 | |
| 76 | T | A | -1.0148 | |
| 77 | L | A | 0.0000 | |
| 78 | T | A | -0.6577 | |
| 79 | I | A | 0.0000 | |
| 80 | S | A | -1.7296 | |
| 81 | S | A | -1.6175 | |
| 82 | L | A | 0.0000 | |
| 83 | Q | A | -1.1711 | |
| 84 | A | A | -1.3817 | |
| 85 | E | A | -2.3423 | |
| 86 | D | A | 0.0000 | |
| 87 | V | A | 0.0000 | |
| 88 | A | A | 0.0000 | |
| 89 | V | A | -0.4188 | |
| 90 | Y | A | 0.0000 | |
| 91 | Y | A | 0.0000 | |
| 92 | C | A | 0.0000 | |
| 93 | Q | A | 0.0000 | |
| 94 | Q | A | 0.0000 | |
| 95 | H | A | 0.0000 | |
| 96 | Y | A | -0.6154 | |
| 97 | R | A | -1.3591 | |
| 98 | T | A | -0.7270 | |
| 99 | P | A | -0.8053 | |
| 100 | P | A | 0.0000 | |
| 101 | T | A | -0.2034 | |
| 102 | F | A | 0.1052 | |
| 103 | G | A | 0.0000 | |
| 104 | Q | A | -1.3537 | |
| 105 | G | A | 0.0000 | |
| 106 | T | A | 0.0000 | |
| 107 | K | A | -1.0864 | |
| 108 | V | A | 0.0000 | |
| 109 | E | A | -0.7072 | |
| 110 | I | A | 0.0000 | |
| 111 | K | A | -0.8631 | |
| 112 | R | A | -0.4775 | |
| 113 | T | A | 0.1537 | |
| 114 | V | A | 0.8971 | |
| 115 | A | A | 0.2592 | |
| 116 | A | A | 0.1900 | |
| 117 | P | A | 0.0000 | |
| 118 | S | A | -0.3361 | |
| 119 | V | A | 0.0000 | |
| 120 | F | A | 0.0000 | |
| 121 | I | A | 0.0000 | |
| 122 | F | A | 0.0000 | |
| 123 | P | A | -0.2217 | |
| 124 | P | A | 0.0000 | |
| 125 | S | A | -1.4835 | |
| 126 | D | A | -2.8504 | |
| 127 | E | A | -2.8303 | |
| 128 | Q | A | 0.0000 | |
| 129 | L | A | -2.2297 | |
| 130 | K | A | -2.8282 | |
| 131 | S | A | -1.7650 | |
| 132 | G | A | -1.3090 | |
| 133 | T | A | -1.0532 | |
| 134 | A | A | 0.0000 | |
| 135 | S | A | 0.0000 | |
| 136 | V | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | C | A | 0.0000 | |
| 139 | L | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | N | A | 0.0000 | |
| 142 | N | A | -0.7512 | |
| 143 | F | A | 0.0000 | |
| 144 | Y | A | 0.0000 | |
| 145 | P | A | -1.4502 | |
| 146 | R | A | -2.8560 | |
| 147 | E | A | -2.9703 | |
| 148 | A | A | -1.9052 | |
| 149 | K | A | -1.6848 | |
| 150 | V | A | 0.0000 | |
| 151 | Q | A | -0.4060 | |
| 152 | W | A | 0.0000 | |
| 153 | K | A | 0.0000 | |
| 154 | V | A | 0.0000 | |
| 155 | D | A | -1.7151 | |
| 156 | N | A | -1.7544 | |
| 157 | A | A | -0.8297 | |
| 158 | L | A | -0.5748 | |
| 159 | Q | A | -0.7730 | |
| 160 | S | A | -0.8272 | |
| 161 | G | A | -1.1692 | |
| 162 | N | A | -1.3851 | |
| 163 | S | A | -1.2560 | |
| 164 | Q | A | -1.2432 | |
| 165 | E | A | -1.5537 | |
| 166 | S | A | -0.8647 | |
| 167 | V | A | -0.7834 | |
| 168 | T | A | -1.2229 | |
| 169 | E | A | -2.3121 | |
| 170 | Q | A | 0.0000 | |
| 171 | D | A | -1.9814 | |
| 172 | S | A | -2.1015 | |
| 173 | K | A | -2.3877 | |
| 174 | D | A | -1.5547 | |
| 175 | S | A | 0.0000 | |
| 176 | T | A | 0.0000 | |
| 177 | Y | A | 0.0000 | |
| 178 | S | A | 0.0000 | |
| 179 | L | A | 0.0000 | |
| 180 | S | A | 0.0000 | |
| 181 | S | A | 0.0000 | |
| 182 | T | A | -0.6009 | |
| 183 | L | A | 0.0000 | |
| 184 | T | A | -0.6343 | |
| 185 | L | A | -0.8473 | |
| 186 | S | A | -1.1304 | |
| 187 | K | A | -2.1050 | |
| 188 | A | A | -1.9392 | |
| 189 | D | A | -2.7237 | |
| 190 | Y | A | 0.0000 | |
| 191 | E | A | -3.2313 | |
| 192 | K | A | -3.4071 | |
| 193 | H | A | -2.4513 | |
| 194 | K | A | -2.2821 | |
| 195 | V | A | -0.8201 | |
| 196 | Y | A | 0.0000 | |
| 197 | A | A | 0.0000 | |
| 198 | C | A | 0.0000 | |
| 199 | E | A | 0.0000 | |
| 200 | V | A | 0.0000 | |
| 201 | T | A | -0.6067 | |
| 202 | H | A | 0.0000 | |
| 203 | Q | A | -0.9606 | |
| 204 | G | A | -0.0660 | |
| 205 | L | A | -0.1178 | |
| 206 | S | A | -0.6635 | |
| 207 | S | A | -0.3368 | |
| 208 | P | A | -0.1289 | |
| 209 | V | A | 0.3693 | |
| 210 | T | A | 0.0247 | |
| 211 | K | A | -0.1817 | |
| 212 | S | A | -0.1602 | |
| 213 | F | A | 0.0000 | |
| 214 | N | A | -1.2385 | |
| 215 | R | A | -1.5394 | |
| 216 | G | A | -1.1991 | |
| 217 | E | A | -1.4368 | |
| 218 | C | A | -0.1256 | |
| 1 | D | B | -1.5041 | |
| 2 | I | B | 0.0000 | |
| 3 | V | B | 0.8308 | |
| 4 | M | B | 0.0000 | |
| 5 | T | B | -0.7419 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -1.3169 | |
| 8 | P | B | -1.2469 | |
| 9 | D | B | -2.2401 | |
| 10 | S | B | -1.2262 | |
| 11 | L | B | -0.5619 | |
| 12 | A | B | -0.3105 | |
| 13 | V | B | -0.9598 | |
| 14 | S | B | -0.9542 | |
| 15 | L | B | 0.0229 | |
| 16 | G | B | -1.0836 | |
| 17 | E | B | -2.6406 | |
| 18 | R | B | -2.7044 | |
| 19 | A | B | 0.0000 | |
| 20 | T | B | -0.6102 | |
| 21 | I | B | 0.0000 | |
| 22 | N | B | -1.4668 | |
| 23 | C | B | 0.0000 | |
| 24 | K | B | -1.9028 | |
| 25 | S | B | 0.0000 | |
| 26 | S | B | -0.6826 | |
| 27 | Q | B | -1.1120 | |
| 28 | S | B | -0.7881 | |
| 29 | V | B | 0.0000 | |
| 30 | T | B | -0.0822 | |
| 31 | F | B | 0.3562 | |
| 32 | N | B | -0.5119 | |
| 33 | Y | B | 0.4572 | |
| 34 | K | B | -0.5797 | |
| 35 | N | B | -0.3852 | |
| 36 | Y | B | 0.0000 | |
| 37 | L | B | 0.0000 | |
| 38 | A | B | 0.0000 | |
| 39 | W | B | 0.0000 | |
| 40 | Y | B | 0.0000 | |
| 41 | Q | B | -0.8684 | |
| 42 | Q | B | 0.0000 | |
| 43 | K | B | -1.5539 | |
| 44 | P | B | -1.0858 | |
| 45 | G | B | -1.3316 | |
| 46 | Q | B | -1.7015 | |
| 47 | P | B | -1.3311 | |
| 48 | P | B | 0.0000 | |
| 49 | K | B | -1.8770 | |
| 50 | L | B | 0.0000 | |
| 51 | L | B | 0.0000 | |
| 52 | I | B | 0.0000 | |
| 53 | Y | B | -0.1539 | |
| 54 | W | B | -0.1493 | |
| 55 | A | B | 0.0000 | |
| 56 | S | B | -0.6688 | |
| 57 | T | B | -0.6096 | |
| 58 | R | B | -1.4585 | |
| 59 | E | B | -1.1937 | |
| 60 | S | B | -0.7871 | |
| 61 | G | B | -0.9527 | |
| 62 | V | B | -1.1139 | |
| 63 | P | B | -1.3577 | |
| 64 | D | B | -2.1806 | |
| 65 | R | B | -1.4727 | |
| 66 | F | B | 0.0000 | |
| 67 | S | B | -0.8509 | |
| 68 | G | B | 0.0000 | |
| 69 | S | B | -0.7197 | |
| 70 | G | B | -1.1299 | |
| 71 | S | B | -0.8650 | |
| 72 | G | B | -0.8479 | |
| 73 | T | B | -1.5471 | |
| 74 | D | B | -2.3076 | |
| 75 | F | B | 0.0000 | |
| 76 | T | B | -0.9480 | |
| 77 | L | B | 0.0000 | |
| 78 | T | B | -0.6406 | |
| 79 | I | B | 0.0000 | |
| 80 | S | B | -1.7437 | |
| 81 | S | B | -1.6020 | |
| 82 | L | B | 0.0000 | |
| 83 | Q | B | -1.1229 | |
| 84 | A | B | -1.3325 | |
| 85 | E | B | -2.3003 | |
| 86 | D | B | 0.0000 | |
| 87 | V | B | -1.0325 | |
| 88 | A | B | 0.0000 | |
| 89 | V | B | -0.4085 | |
| 90 | Y | B | 0.0000 | |
| 91 | Y | B | 0.0000 | |
| 92 | C | B | 0.0000 | |
| 93 | Q | B | 0.0000 | |
| 94 | Q | B | 0.0000 | |
| 95 | H | B | 0.0000 | |
| 96 | Y | B | 0.0000 | |
| 97 | R | B | -0.9082 | |
| 98 | T | B | -0.5108 | |
| 99 | P | B | -0.6875 | |
| 100 | P | B | 0.0000 | |
| 101 | T | B | -0.1426 | |
| 102 | F | B | 0.1078 | |
| 103 | G | B | 0.0000 | |
| 104 | Q | B | -1.3544 | |
| 105 | G | B | 0.0000 | |
| 106 | T | B | 0.0000 | |
| 107 | K | B | -1.1020 | |
| 108 | V | B | 0.0000 | |
| 109 | E | B | -0.7188 | |
| 110 | I | B | 0.0000 | |
| 111 | K | B | -1.1576 | |
| 112 | R | B | -0.5643 | |
| 113 | T | B | 0.1335 | |
| 114 | V | B | 0.9448 | |
| 115 | A | B | 0.3414 | |
| 116 | A | B | 0.2240 | |
| 117 | P | B | 0.0000 | |
| 118 | S | B | -0.3391 | |
| 119 | V | B | 0.0000 | |
| 120 | F | B | 0.0000 | |
| 121 | I | B | 0.0000 | |
| 122 | F | B | 0.0000 | |
| 123 | P | B | -0.2327 | |
| 124 | P | B | 0.0000 | |
| 125 | S | B | -1.5047 | |
| 126 | D | B | -2.8846 | |
| 127 | E | B | -2.8893 | |
| 128 | Q | B | 0.0000 | |
| 129 | L | B | -2.2894 | |
| 130 | K | B | -2.8631 | |
| 131 | S | B | -1.7814 | |
| 132 | G | B | -1.3199 | |
| 133 | T | B | -1.0720 | |
| 134 | A | B | 0.0000 | |
| 135 | S | B | 0.0000 | |
| 136 | V | B | 0.0000 | |
| 137 | V | B | 0.0000 | |
| 138 | C | B | 0.0000 | |
| 139 | L | B | 0.0000 | |
| 140 | L | B | 0.0000 | |
| 141 | N | B | 0.0000 | |
| 142 | N | B | -0.6971 | |
| 143 | F | B | 0.0000 | |
| 144 | Y | B | 0.0000 | |
| 145 | P | B | -1.3218 | |
| 146 | R | B | -2.4898 | |
| 147 | E | B | -2.7383 | |
| 148 | A | B | -1.6922 | |
| 149 | K | B | -1.3489 | |
| 150 | V | B | -0.3450 | |
| 151 | Q | B | 0.0000 | |
| 152 | W | B | 0.0000 | |
| 153 | K | B | 0.0000 | |
| 154 | V | B | 0.0000 | |
| 155 | D | B | -1.7481 | |
| 156 | N | B | -1.7603 | |
| 157 | A | B | -0.8454 | |
| 158 | L | B | -0.3738 | |
| 159 | Q | B | -0.7630 | |
| 160 | S | B | -0.8285 | |
| 161 | G | B | -1.2045 | |
| 162 | N | B | -1.4536 | |
| 163 | S | B | -1.3518 | |
| 164 | Q | B | -1.4013 | |
| 165 | E | B | -1.8990 | |
| 166 | S | B | -1.0782 | |
| 167 | V | B | -0.8960 | |
| 168 | T | B | 0.0000 | |
| 169 | E | B | -2.1769 | |
| 170 | Q | B | 0.0000 | |
| 171 | D | B | -2.0959 | |
| 172 | S | B | -2.1345 | |
| 173 | K | B | -2.4594 | |
| 174 | D | B | -1.6397 | |
| 175 | S | B | 0.0000 | |
| 176 | T | B | 0.0000 | |
| 177 | Y | B | 0.0000 | |
| 178 | S | B | 0.0000 | |
| 179 | L | B | 0.0000 | |
| 180 | S | B | 0.0000 | |
| 181 | S | B | 0.0000 | |
| 182 | T | B | -0.7142 | |
| 183 | L | B | 0.0000 | |
| 184 | T | B | -0.6644 | |
| 185 | L | B | -0.8618 | |
| 186 | S | B | -1.1401 | |
| 187 | K | B | -2.1937 | |
| 188 | A | B | -1.9559 | |
| 189 | D | B | -2.6702 | |
| 190 | Y | B | 0.0000 | |
| 191 | E | B | -3.2790 | |
| 192 | K | B | -3.4098 | |
| 193 | H | B | -2.4496 | |
| 194 | K | B | -2.3637 | |
| 195 | V | B | -0.8311 | |
| 196 | Y | B | 0.0000 | |
| 197 | A | B | -0.3439 | |
| 198 | C | B | 0.0000 | |
| 199 | E | B | 0.0000 | |
| 200 | V | B | 0.0000 | |
| 201 | T | B | 0.0000 | |
| 202 | H | B | 0.0000 | |
| 203 | Q | B | -0.8912 | |
| 204 | G | B | -0.0279 | |
| 205 | L | B | -0.0623 | |
| 206 | S | B | -0.5438 | |
| 207 | S | B | -0.3195 | |
| 208 | P | B | -0.0792 | |
| 209 | V | B | 0.3920 | |
| 210 | T | B | 0.0648 | |
| 211 | K | B | -0.1914 | |
| 212 | S | B | -0.2012 | |
| 213 | F | B | 0.0000 | |
| 214 | N | B | -1.3539 | |
| 215 | R | B | -1.8200 | |
| 216 | G | B | -1.6436 | |
| 217 | E | B | -2.1279 | |
| 218 | C | B | -0.5892 | |
| 1 | Q | C | -1.5149 | |
| 2 | V | C | -0.9613 | |
| 3 | Q | C | -1.1456 | |
| 4 | L | C | 0.0000 | |
| 5 | V | C | 0.4464 | |
| 6 | E | C | 0.0000 | |
| 7 | S | C | -0.4735 | |
| 8 | G | C | -0.9360 | |
| 9 | G | C | -0.5016 | |
| 10 | G | C | -0.2820 | |
| 11 | V | C | 0.0398 | |
| 12 | V | C | -0.9305 | |
| 13 | Q | C | -1.8236 | |
| 14 | P | C | -2.1191 | |
| 15 | G | C | -2.2013 | |
| 16 | R | C | -2.7901 | |
| 17 | S | C | -2.1748 | |
| 18 | L | C | -1.5806 | |
| 19 | R | C | -2.1701 | |
| 20 | L | C | 0.0000 | |
| 21 | S | C | -0.4957 | |
| 22 | C | C | 0.0000 | |
| 23 | A | C | -0.3091 | |
| 24 | A | C | 0.0000 | |
| 25 | S | C | -0.9943 | |
| 26 | G | C | -1.0761 | |
| 27 | F | C | -0.3983 | |
| 28 | T | C | 0.0024 | |
| 29 | F | C | 0.0000 | |
| 30 | S | C | -0.9417 | |
| 31 | T | C | -0.3160 | |
| 32 | Y | C | -0.0233 | |
| 33 | A | C | 0.0000 | |
| 34 | M | C | 0.0000 | |
| 35 | H | C | 0.0000 | |
| 36 | W | C | 0.0000 | |
| 37 | V | C | 0.0000 | |
| 38 | R | C | 0.0000 | |
| 39 | Q | C | -0.7681 | |
| 40 | A | C | -1.1515 | |
| 41 | P | C | -0.9869 | |
| 42 | G | C | -1.4281 | |
| 43 | K | C | -2.3093 | |
| 44 | G | C | -1.4727 | |
| 45 | L | C | 0.0000 | |
| 46 | E | C | -1.0207 | |
| 47 | W | C | 0.0000 | |
| 48 | V | C | 0.0000 | |
| 49 | A | C | 0.0000 | |
| 50 | V | C | 0.0000 | |
| 51 | I | C | 0.0000 | |
| 52 | S | C | 0.0000 | |
| 53 | Y | C | -1.1007 | |
| 54 | D | C | -2.3581 | |
| 55 | A | C | -1.6416 | |
| 56 | N | C | -1.7338 | |
| 57 | Y | C | -0.2532 | |
| 58 | K | C | -0.5457 | |
| 59 | Y | C | -0.0566 | |
| 60 | Y | C | -0.7696 | |
| 61 | A | C | -1.4640 | |
| 62 | D | C | -2.4063 | |
| 63 | S | C | -1.7624 | |
| 64 | V | C | 0.0000 | |
| 65 | K | C | -2.4395 | |
| 66 | G | C | -1.6935 | |
| 67 | R | C | -1.4587 | |
| 68 | F | C | 0.0000 | |
| 69 | T | C | -0.8674 | |
| 70 | I | C | 0.0000 | |
| 71 | S | C | -0.5755 | |
| 72 | R | C | -1.1390 | |
| 73 | D | C | -1.7416 | |
| 74 | N | C | -1.9057 | |
| 75 | S | C | -1.6074 | |
| 76 | K | C | -2.4105 | |
| 77 | N | C | -1.7767 | |
| 78 | T | C | -1.0876 | |
| 79 | L | C | 0.0000 | |
| 80 | Y | C | -0.5773 | |
| 81 | L | C | 0.0000 | |
| 82 | Q | C | -1.2877 | |
| 83 | M | C | 0.0000 | |
| 84 | N | C | -2.0300 | |
| 85 | S | C | -1.8227 | |
| 86 | L | C | 0.0000 | |
| 87 | R | C | -2.6398 | |
| 88 | A | C | -1.7101 | |
| 89 | E | C | -2.2858 | |
| 90 | D | C | 0.0000 | |
| 91 | T | C | -0.7136 | |
| 92 | A | C | 0.0000 | |
| 93 | V | C | 0.2264 | |
| 94 | Y | C | 0.0000 | |
| 95 | Y | C | 0.0000 | |
| 96 | C | C | 0.0000 | |
| 97 | A | C | 0.0000 | |
| 98 | K | C | 0.0000 | |
| 99 | D | C | 0.0000 | |
| 100 | S | C | 0.0053 | |
| 101 | Q | C | -0.0726 | |
| 102 | L | C | 0.7092 | |
| 103 | R | C | -0.8503 | |
| 104 | S | C | 0.0000 | |
| 105 | L | C | 0.0000 | |
| 106 | L | C | 0.7735 | |
| 107 | Y | C | 1.8454 | |
| 108 | F | C | 1.8016 | |
| 109 | E | C | -0.5389 | |
| 110 | W | C | 0.1832 | |
| 111 | L | C | 0.0000 | |
| 112 | S | C | 0.0000 | |
| 113 | Q | C | -0.4460 | |
| 114 | G | C | 0.0000 | |
| 115 | Y | C | 0.0000 | |
| 116 | F | C | 0.0000 | |
| 117 | D | C | -0.3605 | |
| 118 | Y | C | -0.0389 | |
| 119 | W | C | 0.0000 | |
| 120 | G | C | 0.0000 | |
| 121 | Q | C | -1.2336 | |
| 122 | G | C | 0.0000 | |
| 123 | T | C | -0.0552 | |
| 124 | L | C | 0.0594 | |
| 125 | V | C | 0.0000 | |
| 126 | T | C | 0.0000 | |
| 127 | V | C | 0.0000 | |
| 128 | S | C | -0.9908 | |
| 129 | S | C | -0.7247 | |
| 130 | G | C | -0.7311 | |
| 131 | S | C | -0.4977 | |
| 132 | A | C | -0.5003 | |
| 133 | S | C | -0.5775 | |
| 134 | A | C | -1.0857 | |
| 135 | P | C | 0.0000 | |
| 136 | T | C | -0.6165 | |
| 137 | L | C | 0.0000 | |
| 138 | F | C | 0.0000 | |
| 139 | P | C | -0.7446 | |
| 140 | L | C | 0.0000 | |
| 141 | V | C | 0.2901 | |
| 142 | S | C | 0.2541 | |
| 143 | C | C | -0.0261 | |
| 144 | E | C | -0.2672 | |
| 145 | N | C | -0.2339 | |
| 146 | S | C | 0.0000 | |
| 147 | P | C | -0.6821 | |
| 148 | S | C | -1.3001 | |
| 149 | D | C | -2.1384 | |
| 150 | T | C | -1.1829 | |
| 151 | S | C | -1.0834 | |
| 152 | S | C | -0.9103 | |
| 153 | V | C | 0.0000 | |
| 154 | A | C | 0.0000 | |
| 155 | V | C | 0.0000 | |
| 156 | G | C | 0.0000 | |
| 157 | C | C | 0.0000 | |
| 158 | L | C | 0.0000 | |
| 159 | A | C | 0.0000 | |
| 160 | Q | C | 0.0000 | |
| 161 | D | C | -0.9799 | |
| 162 | F | C | 0.0000 | |
| 163 | L | C | 0.0000 | |
| 164 | P | C | 0.0000 | |
| 165 | D | C | -0.5303 | |
| 166 | S | C | -0.5480 | |
| 167 | I | C | -0.4408 | |
| 168 | T | C | -0.6376 | |
| 169 | F | C | -0.6025 | |
| 170 | S | C | -1.1469 | |
| 171 | W | C | 0.0000 | |
| 172 | K | C | -2.4246 | |
| 173 | Y | C | -2.4114 | |
| 174 | K | C | -3.2572 | |
| 175 | N | C | -2.8925 | |
| 176 | N | C | -2.8969 | |
| 177 | S | C | -2.3597 | |
| 178 | D | C | -2.7079 | |
| 179 | I | C | 0.0000 | |
| 180 | S | C | -0.8572 | |
| 181 | S | C | -0.4945 | |
| 182 | T | C | -0.4952 | |
| 183 | R | C | -0.4976 | |
| 184 | G | C | -0.6547 | |
| 185 | F | C | 0.0000 | |
| 186 | P | C | -0.5672 | |
| 187 | S | C | -0.0798 | |
| 188 | V | C | 0.1191 | |
| 189 | L | C | 0.3814 | |
| 190 | R | C | -0.4695 | |
| 191 | G | C | -0.8291 | |
| 192 | G | C | -0.8381 | |
| 193 | K | C | -0.9091 | |
| 194 | Y | C | -0.2373 | |
| 195 | A | C | 0.0000 | |
| 196 | A | C | 0.0000 | |
| 197 | T | C | 0.0000 | |
| 198 | S | C | 0.0000 | |
| 199 | Q | C | 0.0000 | |
| 200 | V | C | 0.0000 | |
| 201 | L | C | 0.0350 | |
| 202 | L | C | 0.0000 | |
| 203 | P | C | -1.3186 | |
| 204 | S | C | -1.6230 | |
| 205 | K | C | -2.9204 | |
| 206 | D | C | -3.0724 | |
| 207 | V | C | -1.6703 | |
| 208 | M | C | -1.3793 | |
| 209 | Q | C | -2.3036 | |
| 210 | G | C | -2.1444 | |
| 211 | T | C | -1.5072 | |
| 212 | D | C | -2.2446 | |
| 213 | E | C | -2.1743 | |
| 214 | H | C | -1.8934 | |
| 215 | V | C | 0.0000 | |
| 216 | V | C | -2.0644 | |
| 217 | C | C | 0.0000 | |
| 218 | K | C | -2.4435 | |
| 219 | V | C | 0.0000 | |
| 220 | Q | C | -2.4067 | |
| 221 | H | C | 0.0000 | |
| 222 | P | C | -1.2865 | |
| 223 | N | C | -1.6142 | |
| 224 | G | C | -1.7694 | |
| 225 | N | C | -2.9458 | |
| 226 | K | C | -2.9979 | |
| 227 | E | C | -3.3516 | |
| 228 | K | C | -2.2592 | |
| 229 | N | C | -2.3819 | |
| 230 | V | C | 0.0000 | |
| 231 | P | C | -0.7922 | |
| 232 | L | C | -0.1754 | |
| 233 | P | C | 0.6183 | |
| 234 | V | C | 1.2673 | |
| 235 | I | C | 0.0000 | |
| 236 | A | C | -0.3211 | |
| 237 | E | C | -1.1856 | |
| 238 | L | C | -0.7471 | |
| 239 | P | C | -0.7730 | |
| 240 | P | C | 0.0000 | |
| 241 | K | C | -1.6557 | |
| 242 | V | C | -1.0190 | |
| 243 | S | C | -0.8661 | |
| 244 | V | C | 0.0000 | |
| 245 | F | C | 0.0000 | |
| 246 | V | C | 0.0000 | |
| 247 | P | C | 0.0000 | |
| 248 | P | C | -0.9164 | |
| 249 | R | C | -1.2194 | |
| 250 | D | C | -2.1087 | |
| 251 | G | C | 0.0000 | |
| 252 | F | C | -1.5378 | |
| 253 | F | C | -1.0502 | |
| 254 | G | C | -1.6892 | |
| 255 | N | C | -2.3276 | |
| 256 | P | C | -2.2129 | |
| 257 | R | C | -2.7667 | |
| 258 | K | C | -2.4385 | |
| 259 | S | C | 0.0000 | |
| 260 | K | C | -1.0261 | |
| 261 | L | C | 0.0000 | |
| 262 | I | C | 0.0000 | |
| 263 | C | C | 0.0000 | |
| 264 | Q | C | -0.4983 | |
| 265 | A | C | 0.0000 | |
| 266 | T | C | -0.9033 | |
| 267 | G | C | -0.6581 | |
| 268 | F | C | 0.0000 | |
| 269 | S | C | 0.0000 | |
| 270 | P | C | 0.0000 | |
| 271 | R | C | -1.4438 | |
| 272 | Q | C | -1.8432 | |
| 273 | I | C | -1.1793 | |
| 274 | Q | C | -1.5219 | |
| 275 | V | C | -0.6310 | |
| 276 | S | C | 0.0000 | |
| 277 | W | C | 0.0000 | |
| 278 | L | C | -2.2133 | |
| 279 | R | C | -2.4868 | |
| 280 | E | C | -3.0951 | |
| 281 | G | C | -2.4965 | |
| 282 | K | C | -3.1936 | |
| 283 | Q | C | -2.5607 | |
| 284 | V | C | -1.3150 | |
| 285 | G | C | -0.8463 | |
| 286 | S | C | -0.5259 | |
| 287 | G | C | -0.3989 | |
| 288 | V | C | -0.0180 | |
| 289 | T | C | -0.3844 | |
| 290 | T | C | -0.8482 | |
| 291 | D | C | -1.7355 | |
| 292 | Q | C | -1.8699 | |
| 293 | V | C | -1.3702 | |
| 294 | Q | C | -1.2097 | |
| 295 | A | C | -0.8206 | |
| 296 | E | C | -1.1288 | |
| 297 | A | C | -1.4196 | |
| 298 | K | C | -2.8087 | |
| 299 | E | C | -3.0122 | |
| 300 | S | C | -2.1185 | |
| 301 | G | C | -1.4871 | |
| 302 | P | C | -1.1694 | |
| 303 | T | C | -0.9293 | |
| 304 | T | C | 0.0000 | |
| 305 | Y | C | -0.4859 | |
| 306 | K | C | -1.1838 | |
| 307 | V | C | 0.0000 | |
| 308 | T | C | -0.7496 | |
| 309 | S | C | 0.0000 | |
| 310 | T | C | -0.3225 | |
| 311 | L | C | 0.0000 | |
| 312 | T | C | -0.7730 | |
| 313 | I | C | 0.0000 | |
| 314 | K | C | -2.1317 | |
| 315 | E | C | -1.8368 | |
| 316 | S | C | -1.3609 | |
| 317 | D | C | -1.2693 | |
| 318 | W | C | 0.0000 | |
| 319 | L | C | -0.6963 | |
| 320 | S | C | -0.8118 | |
| 321 | Q | C | -1.2066 | |
| 322 | S | C | 0.0000 | |
| 323 | M | C | -1.0675 | |
| 324 | F | C | 0.0000 | |
| 325 | T | C | 0.0000 | |
| 326 | C | C | 0.0000 | |
| 327 | R | C | -1.5245 | |
| 328 | V | C | 0.0000 | |
| 329 | D | C | -1.0423 | |
| 330 | H | C | 0.0000 | |
| 331 | R | C | -1.9705 | |
| 332 | G | C | -0.6433 | |
| 333 | L | C | 0.5061 | |
| 334 | T | C | -0.2879 | |
| 335 | F | C | -0.5048 | |
| 336 | Q | C | -1.6305 | |
| 337 | Q | C | -1.6323 | |
| 338 | N | C | -2.0380 | |
| 339 | A | C | 0.0000 | |
| 340 | S | C | -0.3988 | |
| 341 | S | C | 0.0000 | |
| 342 | M | C | 0.7694 | |
| 343 | C | C | 0.5437 | |
| 344 | V | C | 0.0795 | |
| 345 | P | C | 0.0000 | |
| 346 | D | C | -1.9506 | |
| 347 | Q | C | -2.5845 | |
| 348 | D | C | -2.7267 | |
| 349 | T | C | -2.1277 | |
| 350 | A | C | -1.6266 | |
| 351 | I | C | 0.0000 | |
| 352 | R | C | -1.6395 | |
| 353 | V | C | 0.1617 | |
| 354 | F | C | 1.7006 | |
| 355 | A | C | 0.0000 | |
| 356 | I | C | 1.0263 | |
| 357 | P | C | 0.2268 | |
| 358 | P | C | -0.2893 | |
| 359 | S | C | -0.2225 | |
| 360 | F | C | 0.0000 | |
| 361 | A | C | 0.2593 | |
| 362 | S | C | 0.0893 | |
| 363 | I | C | 0.0000 | |
| 364 | F | C | 0.5045 | |
| 365 | L | C | 1.0660 | |
| 366 | T | C | -0.1831 | |
| 367 | K | C | -1.2639 | |
| 368 | S | C | -0.7515 | |
| 369 | T | C | 0.0000 | |
| 370 | K | C | -0.9668 | |
| 371 | L | C | 0.0000 | |
| 372 | T | C | 0.1629 | |
| 373 | C | C | 0.0000 | |
| 374 | L | C | 1.0600 | |
| 375 | V | C | 0.0000 | |
| 376 | T | C | -0.1291 | |
| 377 | D | C | -0.8207 | |
| 378 | L | C | 0.0000 | |
| 379 | T | C | -0.4629 | |
| 380 | T | C | -0.3854 | |
| 381 | Y | C | 0.1419 | |
| 382 | D | C | -1.3332 | |
| 383 | S | C | -0.8694 | |
| 384 | V | C | -0.2809 | |
| 385 | T | C | -0.1991 | |
| 386 | I | C | 0.0000 | |
| 387 | S | C | -0.8702 | |
| 388 | W | C | 0.0000 | |
| 389 | T | C | -1.9357 | |
| 390 | R | C | -2.7830 | |
| 391 | Q | C | -3.2937 | |
| 392 | N | C | -3.0736 | |
| 393 | G | C | -2.6550 | |
| 394 | E | C | -2.9391 | |
| 395 | A | C | -1.7270 | |
| 396 | V | C | -1.4138 | |
| 397 | K | C | -2.1523 | |
| 398 | T | C | -1.6503 | |
| 399 | H | C | -1.8797 | |
| 400 | T | C | -1.1497 | |
| 401 | N | C | -1.3072 | |
| 402 | I | C | -0.2138 | |
| 403 | S | C | -0.7727 | |
| 404 | E | C | -1.9384 | |
| 405 | S | C | -1.3394 | |
| 406 | H | C | -1.3890 | |
| 407 | P | C | -1.2380 | |
| 408 | N | C | -1.5181 | |
| 409 | A | C | -0.9982 | |
| 410 | T | C | -0.7124 | |
| 411 | F | C | -0.2942 | |
| 412 | S | C | 0.0000 | |
| 413 | A | C | 0.0000 | |
| 414 | V | C | 0.2455 | |
| 415 | G | C | 0.0000 | |
| 416 | E | C | -1.3895 | |
| 417 | A | C | 0.0000 | |
| 418 | S | C | -0.8481 | |
| 419 | I | C | -0.5151 | |
| 420 | C | C | -0.6051 | |
| 421 | E | C | -1.5484 | |
| 422 | D | C | -2.2260 | |
| 423 | D | C | -1.7869 | |
| 424 | W | C | 0.0000 | |
| 425 | N | C | -1.8181 | |
| 426 | S | C | -1.8047 | |
| 427 | G | C | -1.8633 | |
| 428 | E | C | -2.2927 | |
| 429 | R | C | -2.8678 | |
| 430 | F | C | 0.0000 | |
| 431 | T | C | -1.4787 | |
| 432 | C | C | 0.0000 | |
| 433 | T | C | -0.8017 | |
| 434 | V | C | 0.0000 | |
| 435 | T | C | -0.5669 | |
| 436 | H | C | 0.0000 | |
| 437 | T | C | -1.1681 | |
| 438 | D | C | -1.9352 | |
| 439 | L | C | 0.0000 | |
| 440 | P | C | -0.9472 | |
| 441 | S | C | -0.7929 | |
| 442 | P | C | -0.7750 | |
| 443 | L | C | -1.0596 | |
| 444 | K | C | -1.6240 | |
| 445 | Q | C | -0.7679 | |
| 446 | T | C | -1.0273 | |
| 447 | I | C | -0.3636 | |
| 448 | S | C | -1.4342 | |
| 449 | R | C | -1.3942 | |
| 450 | P | C | -1.2906 | |
| 451 | K | C | -2.0570 | |
| 452 | G | C | -0.9686 | |
| 453 | V | C | -0.0943 | |
| 454 | A | C | -0.0659 | |
| 455 | L | C | 0.0396 | |
| 456 | H | C | -1.2473 | |
| 457 | R | C | -2.3930 | |
| 458 | P | C | 0.0000 | |
| 459 | D | C | -1.3574 | |
| 460 | V | C | 0.0000 | |
| 461 | Y | C | 0.0000 | |
| 462 | L | C | 0.0000 | |
| 463 | L | C | 0.0000 | |
| 464 | P | C | -0.6354 | |
| 465 | P | C | 0.0000 | |
| 466 | A | C | 0.0000 | |
| 467 | R | C | -2.8257 | |
| 468 | E | C | -2.9404 | |
| 469 | Q | C | 0.0000 | |
| 470 | L | C | -2.3409 | |
| 471 | N | C | -2.1998 | |
| 472 | L | C | -1.3754 | |
| 473 | R | C | -3.1141 | |
| 474 | E | C | -2.8661 | |
| 475 | S | C | -1.8578 | |
| 476 | A | C | 0.0000 | |
| 477 | T | C | 0.0000 | |
| 478 | I | C | 0.0000 | |
| 479 | T | C | 0.0000 | |
| 480 | C | C | 0.0000 | |
| 481 | L | C | 0.0000 | |
| 482 | V | C | 0.0000 | |
| 483 | T | C | -0.6890 | |
| 484 | G | C | 0.0000 | |
| 485 | F | C | 0.0000 | |
| 486 | S | C | 0.0000 | |
| 487 | P | C | -0.4633 | |
| 488 | A | C | -0.4225 | |
| 489 | D | C | -0.8132 | |
| 490 | V | C | -0.1846 | |
| 491 | F | C | 0.3091 | |
| 492 | V | C | 0.0000 | |
| 493 | Q | C | -0.2836 | |
| 494 | W | C | 0.0000 | |
| 495 | M | C | -1.2888 | |
| 496 | Q | C | -1.7171 | |
| 497 | R | C | -2.5950 | |
| 498 | G | C | -2.0207 | |
| 499 | Q | C | -2.1252 | |
| 500 | P | C | -1.2522 | |
| 501 | L | C | 0.0000 | |
| 502 | S | C | -1.2717 | |
| 503 | P | C | -1.4350 | |
| 504 | E | C | -2.6183 | |
| 505 | K | C | -2.0990 | |
| 506 | Y | C | -1.0652 | |
| 507 | V | C | -0.4462 | |
| 508 | T | C | 0.1840 | |
| 509 | S | C | 0.0000 | |
| 510 | A | C | 0.0435 | |
| 511 | P | C | -0.1686 | |
| 512 | M | C | -0.0552 | |
| 513 | P | C | -0.6591 | |
| 514 | E | C | -1.1874 | |
| 515 | P | C | -1.6502 | |
| 516 | Q | C | -2.0142 | |
| 517 | A | C | -1.1014 | |
| 518 | P | C | -1.0592 | |
| 519 | G | C | -0.9202 | |
| 520 | R | C | -1.2438 | |
| 521 | Y | C | -0.4421 | |
| 522 | F | C | 0.0000 | |
| 523 | A | C | 0.0000 | |
| 524 | H | C | 0.0000 | |
| 525 | S | C | 0.0000 | |
| 526 | I | C | 0.0000 | |
| 527 | L | C | 0.0000 | |
| 528 | T | C | -0.6481 | |
| 529 | V | C | 0.0000 | |
| 530 | S | C | -2.0018 | |
| 531 | E | C | -2.7580 | |
| 532 | E | C | -3.3669 | |
| 533 | E | C | -2.3937 | |
| 534 | W | C | 0.0000 | |
| 535 | N | C | -2.3476 | |
| 536 | T | C | -1.6231 | |
| 537 | G | C | -1.4906 | |
| 538 | E | C | -1.6298 | |
| 539 | T | C | -1.2013 | |
| 540 | Y | C | 0.0000 | |
| 541 | T | C | -1.2683 | |
| 542 | C | C | 0.0000 | |
| 543 | V | C | 0.0000 | |
| 544 | V | C | 0.0000 | |
| 545 | A | C | 0.0000 | |
| 546 | H | C | 0.0000 | |
| 547 | E | C | -1.1288 | |
| 548 | A | C | -1.1789 | |
| 549 | L | C | 0.0000 | |
| 550 | P | C | -1.3937 | |
| 551 | N | C | -1.7156 | |
| 552 | R | C | -1.5882 | |
| 553 | V | C | -0.7350 | |
| 554 | T | C | -1.4255 | |
| 555 | E | C | -1.8141 | |
| 556 | R | C | -1.5189 | |
| 557 | T | C | -0.8597 | |
| 558 | V | C | 0.0000 | |
| 559 | D | C | -1.0713 | |
| 560 | K | C | -1.7594 | |
| 561 | S | C | -1.4821 | |
| 562 | T | C | -1.4721 | |
| 563 | G | C | -2.2538 | |
| 564 | K | C | -2.3759 | |
| 565 | P | C | -0.9516 | |
| 566 | T | C | 0.2035 | |
| 567 | L | C | 1.7023 | |
| 568 | Y | C | 1.9627 | |
| 569 | N | C | 0.8994 | |
| 570 | V | C | 2.4873 | |
| 571 | S | C | 1.9143 | |
| 572 | L | C | 2.9800 | |
| 573 | V | C | 2.9312 | |
| 574 | M | C | 1.7179 | |
| 575 | S | C | 0.2025 | |
| 576 | D | C | -1.4133 | |
| 577 | T | C | -0.9851 | |
| 578 | A | C | -0.8459 | |
| 579 | G | C | -0.6323 | |
| 580 | T | C | -0.0338 | |
| 581 | S | C | 0.2817 | |
| 582 | Y | C | 1.1279 | |
| 1 | Q | D | -1.5838 | |
| 2 | V | D | -1.0955 | |
| 3 | Q | D | -1.2799 | |
| 4 | L | D | 0.0000 | |
| 5 | V | D | 0.7289 | |
| 6 | E | D | 0.0000 | |
| 7 | S | D | -0.3969 | |
| 8 | G | D | -0.9405 | |
| 9 | G | D | -0.5089 | |
| 10 | G | D | -0.3030 | |
| 11 | V | D | -0.0052 | |
| 12 | V | D | -0.9620 | |
| 13 | Q | D | -1.8913 | |
| 14 | P | D | -2.1230 | |
| 15 | G | D | -2.2039 | |
| 16 | R | D | -2.8010 | |
| 17 | S | D | -2.1670 | |
| 18 | L | D | -1.5895 | |
| 19 | R | D | -2.1573 | |
| 20 | L | D | 0.0000 | |
| 21 | S | D | -0.4291 | |
| 22 | C | D | 0.0000 | |
| 23 | A | D | -0.2180 | |
| 24 | A | D | 0.0000 | |
| 25 | S | D | -1.0305 | |
| 26 | G | D | -1.1449 | |
| 27 | F | D | -0.4398 | |
| 28 | T | D | -0.0016 | |
| 29 | F | D | 0.0000 | |
| 30 | S | D | -0.9285 | |
| 31 | T | D | -0.3001 | |
| 32 | Y | D | -0.0044 | |
| 33 | A | D | 0.0000 | |
| 34 | M | D | 0.0000 | |
| 35 | H | D | 0.0000 | |
| 36 | W | D | 0.0000 | |
| 37 | V | D | 0.0000 | |
| 38 | R | D | 0.0000 | |
| 39 | Q | D | -0.7632 | |
| 40 | A | D | -1.1594 | |
| 41 | P | D | -1.0270 | |
| 42 | G | D | -1.4502 | |
| 43 | K | D | -2.3210 | |
| 44 | G | D | -1.4796 | |
| 45 | L | D | 0.0000 | |
| 46 | E | D | -1.0035 | |
| 47 | W | D | 0.0000 | |
| 48 | V | D | 0.0000 | |
| 49 | A | D | 0.0000 | |
| 50 | V | D | 0.0000 | |
| 51 | I | D | 0.0000 | |
| 52 | S | D | 0.0000 | |
| 53 | Y | D | -1.1119 | |
| 54 | D | D | -2.3315 | |
| 55 | A | D | -1.5803 | |
| 56 | N | D | -1.6610 | |
| 57 | Y | D | -0.1081 | |
| 58 | K | D | -0.4643 | |
| 59 | Y | D | -0.0830 | |
| 60 | Y | D | -0.8078 | |
| 61 | A | D | -1.4942 | |
| 62 | D | D | -2.4438 | |
| 63 | S | D | -1.7818 | |
| 64 | V | D | 0.0000 | |
| 65 | K | D | -2.5358 | |
| 66 | G | D | -1.7402 | |
| 67 | R | D | -1.5004 | |
| 68 | F | D | 0.0000 | |
| 69 | T | D | -0.8721 | |
| 70 | I | D | 0.0000 | |
| 71 | S | D | -0.5454 | |
| 72 | R | D | -1.1024 | |
| 73 | D | D | -1.6804 | |
| 74 | N | D | -1.8734 | |
| 75 | S | D | -1.5850 | |
| 76 | K | D | -2.3904 | |
| 77 | N | D | -1.7555 | |
| 78 | T | D | -1.0199 | |
| 79 | L | D | 0.0000 | |
| 80 | Y | D | -0.5315 | |
| 81 | L | D | 0.0000 | |
| 82 | Q | D | -1.2693 | |
| 83 | M | D | 0.0000 | |
| 84 | N | D | -2.0047 | |
| 85 | S | D | -1.8363 | |
| 86 | L | D | 0.0000 | |
| 87 | R | D | -2.5100 | |
| 88 | A | D | -1.6505 | |
| 89 | E | D | -2.2344 | |
| 90 | D | D | 0.0000 | |
| 91 | T | D | -0.6887 | |
| 92 | A | D | 0.0000 | |
| 93 | V | D | 0.2522 | |
| 94 | Y | D | 0.0000 | |
| 95 | Y | D | 0.0000 | |
| 96 | C | D | 0.0000 | |
| 97 | A | D | 0.0000 | |
| 98 | K | D | 0.0000 | |
| 99 | D | D | 0.0000 | |
| 100 | S | D | 0.0127 | |
| 101 | Q | D | -0.0275 | |
| 102 | L | D | 0.7255 | |
| 103 | R | D | -0.8411 | |
| 104 | S | D | 0.0000 | |
| 105 | L | D | 0.0000 | |
| 106 | L | D | 0.6869 | |
| 107 | Y | D | 1.8098 | |
| 108 | F | D | 1.8594 | |
| 109 | E | D | -0.4694 | |
| 110 | W | D | 0.2452 | |
| 111 | L | D | 0.0000 | |
| 112 | S | D | 0.0000 | |
| 113 | Q | D | -0.4568 | |
| 114 | G | D | 0.0000 | |
| 115 | Y | D | 0.0000 | |
| 116 | F | D | 0.0000 | |
| 117 | D | D | -0.3705 | |
| 118 | Y | D | -0.0939 | |
| 119 | W | D | 0.0000 | |
| 120 | G | D | 0.0000 | |
| 121 | Q | D | -1.1786 | |
| 122 | G | D | 0.0000 | |
| 123 | T | D | -0.0013 | |
| 124 | L | D | 0.0545 | |
| 125 | V | D | 0.0000 | |
| 126 | T | D | 0.0000 | |
| 127 | V | D | 0.0000 | |
| 128 | S | D | -1.0071 | |
| 129 | S | D | -0.7574 | |
| 130 | G | D | -0.7397 | |
| 131 | S | D | -0.5088 | |
| 132 | A | D | -0.5041 | |
| 133 | S | D | -0.5793 | |
| 134 | A | D | -1.0847 | |
| 135 | P | D | 0.0000 | |
| 136 | T | D | -0.6078 | |
| 137 | L | D | 0.0000 | |
| 138 | F | D | 0.0000 | |
| 139 | P | D | -0.7354 | |
| 140 | L | D | 0.0000 | |
| 141 | V | D | 0.3271 | |
| 142 | S | D | 0.0315 | |
| 143 | C | D | -0.2740 | |
| 144 | E | D | -0.3832 | |
| 145 | N | D | -0.4003 | |
| 146 | S | D | 0.0000 | |
| 147 | P | D | 0.0000 | |
| 148 | S | D | -1.3076 | |
| 149 | D | D | -2.1230 | |
| 150 | T | D | -1.1954 | |
| 151 | S | D | -1.1030 | |
| 152 | S | D | -0.9185 | |
| 153 | V | D | 0.0000 | |
| 154 | A | D | 0.0000 | |
| 155 | V | D | 0.0000 | |
| 156 | G | D | 0.0000 | |
| 157 | C | D | 0.0000 | |
| 158 | L | D | 0.0000 | |
| 159 | A | D | 0.0000 | |
| 160 | Q | D | 0.0000 | |
| 161 | D | D | -0.9450 | |
| 162 | F | D | 0.0000 | |
| 163 | L | D | 0.0000 | |
| 164 | P | D | 0.0000 | |
| 165 | D | D | -0.5228 | |
| 166 | S | D | -0.5694 | |
| 167 | I | D | -0.4454 | |
| 168 | T | D | -0.6408 | |
| 169 | F | D | -0.6112 | |
| 170 | S | D | -1.1431 | |
| 171 | W | D | 0.0000 | |
| 172 | K | D | -2.4254 | |
| 173 | Y | D | -2.4936 | |
| 174 | K | D | -3.4600 | |
| 175 | N | D | -2.9872 | |
| 176 | N | D | -2.9480 | |
| 177 | S | D | -2.3811 | |
| 178 | D | D | -2.7088 | |
| 179 | I | D | 0.0000 | |
| 180 | S | D | -0.8610 | |
| 181 | S | D | -0.5205 | |
| 182 | T | D | -0.5304 | |
| 183 | R | D | -0.5724 | |
| 184 | G | D | -0.6677 | |
| 185 | F | D | 0.0000 | |
| 186 | P | D | -0.6129 | |
| 187 | S | D | -0.0345 | |
| 188 | V | D | 0.2692 | |
| 189 | L | D | 0.8074 | |
| 190 | R | D | -0.2753 | |
| 191 | G | D | -0.7620 | |
| 192 | G | D | -0.8004 | |
| 193 | K | D | -0.8169 | |
| 194 | Y | D | -0.0987 | |
| 195 | A | D | 0.0000 | |
| 196 | A | D | 0.0000 | |
| 197 | T | D | 0.0000 | |
| 198 | S | D | 0.0000 | |
| 199 | Q | D | 0.0000 | |
| 200 | V | D | 0.0000 | |
| 201 | L | D | -0.0284 | |
| 202 | L | D | 0.0000 | |
| 203 | P | D | -1.3374 | |
| 204 | S | D | -1.6478 | |
| 205 | K | D | -2.9528 | |
| 206 | D | D | -3.1050 | |
| 207 | V | D | -1.7019 | |
| 208 | M | D | -1.6085 | |
| 209 | Q | D | -2.3565 | |
| 210 | G | D | -2.1631 | |
| 211 | T | D | -1.5593 | |
| 212 | D | D | -2.3316 | |
| 213 | E | D | -2.2194 | |
| 214 | H | D | -1.9182 | |
| 215 | V | D | 0.0000 | |
| 216 | V | D | -2.0718 | |
| 217 | C | D | 0.0000 | |
| 218 | K | D | -2.4416 | |
| 219 | V | D | 0.0000 | |
| 220 | Q | D | -2.4075 | |
| 221 | H | D | 0.0000 | |
| 222 | P | D | -1.2907 | |
| 223 | N | D | -1.6160 | |
| 224 | G | D | -1.7729 | |
| 225 | N | D | -2.9464 | |
| 226 | K | D | -2.9815 | |
| 227 | E | D | -3.3275 | |
| 228 | K | D | -2.2020 | |
| 229 | N | D | -2.3640 | |
| 230 | V | D | 0.0000 | |
| 231 | P | D | -0.7702 | |
| 232 | L | D | -0.2137 | |
| 233 | P | D | 0.4956 | |
| 234 | V | D | 1.2327 | |
| 235 | I | D | 0.0000 | |
| 236 | A | D | -0.3021 | |
| 237 | E | D | -1.1289 | |
| 238 | L | D | -0.6603 | |
| 239 | P | D | -0.6152 | |
| 240 | P | D | 0.0000 | |
| 241 | K | D | -1.0586 | |
| 242 | V | D | -0.7671 | |
| 243 | S | D | -0.7670 | |
| 244 | V | D | 0.0000 | |
| 245 | F | D | 0.0000 | |
| 246 | V | D | 0.0000 | |
| 247 | P | D | 0.0000 | |
| 248 | P | D | -1.0564 | |
| 249 | R | D | -1.7197 | |
| 250 | D | D | -2.3022 | |
| 251 | G | D | -1.5167 | |
| 252 | F | D | 0.0000 | |
| 253 | F | D | -0.6572 | |
| 254 | G | D | -1.4024 | |
| 255 | N | D | -2.1121 | |
| 256 | P | D | -1.9520 | |
| 257 | R | D | -2.2907 | |
| 258 | K | D | -2.1180 | |
| 259 | S | D | 0.0000 | |
| 260 | K | D | -0.9642 | |
| 261 | L | D | 0.0000 | |
| 262 | I | D | 0.0000 | |
| 263 | C | D | 0.0000 | |
| 264 | Q | D | -0.3896 | |
| 265 | A | D | 0.0000 | |
| 266 | T | D | -0.8311 | |
| 267 | G | D | -0.5994 | |
| 268 | F | D | 0.0000 | |
| 269 | S | D | 0.0000 | |
| 270 | P | D | 0.0000 | |
| 271 | R | D | -1.5889 | |
| 272 | Q | D | -1.8369 | |
| 273 | I | D | -1.1747 | |
| 274 | Q | D | -1.5334 | |
| 275 | V | D | -0.6432 | |
| 276 | S | D | 0.0000 | |
| 277 | W | D | 0.0000 | |
| 278 | L | D | -2.2208 | |
| 279 | R | D | -2.4852 | |
| 280 | E | D | -3.0332 | |
| 281 | G | D | -2.4670 | |
| 282 | K | D | -3.1705 | |
| 283 | Q | D | -2.5469 | |
| 284 | V | D | -1.2965 | |
| 285 | G | D | -0.8409 | |
| 286 | S | D | -0.5250 | |
| 287 | G | D | -0.3941 | |
| 288 | V | D | -0.0464 | |
| 289 | T | D | -0.4702 | |
| 290 | T | D | -1.0126 | |
| 291 | D | D | -2.1515 | |
| 292 | Q | D | -2.1819 | |
| 293 | V | D | -1.9623 | |
| 294 | Q | D | -1.8996 | |
| 295 | A | D | -1.1539 | |
| 296 | E | D | -1.2750 | |
| 297 | A | D | -1.2470 | |
| 298 | K | D | -2.1537 | |
| 299 | E | D | -2.5503 | |
| 300 | S | D | -1.9596 | |
| 301 | G | D | -1.4545 | |
| 302 | P | D | -1.2032 | |
| 303 | T | D | -0.8927 | |
| 304 | T | D | 0.0000 | |
| 305 | Y | D | 0.0000 | |
| 306 | K | D | -1.4463 | |
| 307 | V | D | 0.0000 | |
| 308 | T | D | -0.9174 | |
| 309 | S | D | 0.0000 | |
| 310 | T | D | -0.3583 | |
| 311 | L | D | 0.0000 | |
| 312 | T | D | -0.7191 | |
| 313 | I | D | 0.0000 | |
| 314 | K | D | -1.9232 | |
| 315 | E | D | -1.6995 | |
| 316 | S | D | -1.2806 | |
| 317 | D | D | -1.2331 | |
| 318 | W | D | 0.0000 | |
| 319 | L | D | -0.8317 | |
| 320 | S | D | -0.8277 | |
| 321 | Q | D | -1.1557 | |
| 322 | S | D | 0.0000 | |
| 323 | M | D | -1.0819 | |
| 324 | F | D | 0.0000 | |
| 325 | T | D | 0.0000 | |
| 326 | C | D | 0.0000 | |
| 327 | R | D | -1.5607 | |
| 328 | V | D | 0.0000 | |
| 329 | D | D | -1.0306 | |
| 330 | H | D | 0.0000 | |
| 331 | R | D | -1.9259 | |
| 332 | G | D | -0.6175 | |
| 333 | L | D | 0.5480 | |
| 334 | T | D | -0.2713 | |
| 335 | F | D | -0.4174 | |
| 336 | Q | D | -1.6715 | |
| 337 | Q | D | -1.6967 | |
| 338 | N | D | -2.1835 | |
| 339 | A | D | 0.0000 | |
| 340 | S | D | -0.4030 | |
| 341 | S | D | -0.0675 | |
| 342 | M | D | 0.8434 | |
| 343 | C | D | 0.6715 | |
| 344 | V | D | 0.4122 | |
| 345 | P | D | -0.4565 | |
| 346 | D | D | -1.5642 | |
| 347 | Q | D | -2.4028 | |
| 348 | D | D | -2.5776 | |
| 349 | T | D | -1.9820 | |
| 350 | A | D | -1.4943 | |
| 351 | I | D | 0.0000 | |
| 352 | R | D | -1.8685 | |
| 353 | V | D | -0.3811 | |
| 354 | F | D | 0.6409 | |
| 355 | A | D | 0.7217 | |
| 356 | I | D | 1.1307 | |
| 357 | P | D | 0.3307 | |
| 358 | P | D | -0.1623 | |
| 359 | S | D | -0.1474 | |
| 360 | F | D | 0.0000 | |
| 361 | A | D | 0.3315 | |
| 362 | S | D | 0.1863 | |
| 363 | I | D | 0.0000 | |
| 364 | F | D | 0.6346 | |
| 365 | L | D | 1.3103 | |
| 366 | T | D | -0.0459 | |
| 367 | K | D | -1.1698 | |
| 368 | S | D | -0.6680 | |
| 369 | T | D | 0.0000 | |
| 370 | K | D | -0.8862 | |
| 371 | L | D | 0.0000 | |
| 372 | T | D | 0.0385 | |
| 373 | C | D | 0.0000 | |
| 374 | L | D | 0.5927 | |
| 375 | V | D | 0.0000 | |
| 376 | T | D | -0.3350 | |
| 377 | D | D | -0.8379 | |
| 378 | L | D | 0.0000 | |
| 379 | T | D | -0.4615 | |
| 380 | T | D | -0.3841 | |
| 381 | Y | D | 0.1239 | |
| 382 | D | D | -1.3432 | |
| 383 | S | D | -0.8644 | |
| 384 | V | D | -0.2833 | |
| 385 | T | D | -0.2005 | |
| 386 | I | D | 0.0000 | |
| 387 | S | D | -0.8835 | |
| 388 | W | D | 0.0000 | |
| 389 | T | D | -1.9291 | |
| 390 | R | D | -2.7885 | |
| 391 | Q | D | -3.2895 | |
| 392 | N | D | -3.0767 | |
| 393 | G | D | -2.4747 | |
| 394 | E | D | -2.9395 | |
| 395 | A | D | -1.7147 | |
| 396 | V | D | -1.4064 | |
| 397 | K | D | -2.1676 | |
| 398 | T | D | -1.7125 | |
| 399 | H | D | -1.9565 | |
| 400 | T | D | -1.2278 | |
| 401 | N | D | -1.3771 | |
| 402 | I | D | -0.2675 | |
| 403 | S | D | -0.8010 | |
| 404 | E | D | -1.9611 | |
| 405 | S | D | -1.3767 | |
| 406 | H | D | -1.4473 | |
| 407 | P | D | -1.2632 | |
| 408 | N | D | -1.5401 | |
| 409 | A | D | -1.0222 | |
| 410 | T | D | -0.7413 | |
| 411 | F | D | -0.3247 | |
| 412 | S | D | 0.0000 | |
| 413 | A | D | 0.0000 | |
| 414 | V | D | -0.0121 | |
| 415 | G | D | 0.0000 | |
| 416 | E | D | -1.5738 | |
| 417 | A | D | 0.0000 | |
| 418 | S | D | -0.8478 | |
| 419 | I | D | -0.4736 | |
| 420 | C | D | -0.5065 | |
| 421 | E | D | -1.5079 | |
| 422 | D | D | -2.2011 | |
| 423 | D | D | -1.7567 | |
| 424 | W | D | 0.0000 | |
| 425 | N | D | -1.8119 | |
| 426 | S | D | -1.8065 | |
| 427 | G | D | -1.8141 | |
| 428 | E | D | -2.2722 | |
| 429 | R | D | -2.7876 | |
| 430 | F | D | 0.0000 | |
| 431 | T | D | -1.4798 | |
| 432 | C | D | 0.0000 | |
| 433 | T | D | -0.8198 | |
| 434 | V | D | 0.0000 | |
| 435 | T | D | -0.5669 | |
| 436 | H | D | 0.0000 | |
| 437 | T | D | -1.1384 | |
| 438 | D | D | -1.8651 | |
| 439 | L | D | 0.0000 | |
| 440 | P | D | -0.9042 | |
| 441 | S | D | -0.7747 | |
| 442 | P | D | -0.7961 | |
| 443 | L | D | -1.0880 | |
| 444 | K | D | -1.7882 | |
| 445 | Q | D | -1.0010 | |
| 446 | T | D | -1.1141 | |
| 447 | I | D | -0.3988 | |
| 448 | S | D | -1.3725 | |
| 449 | R | D | -1.3899 | |
| 450 | P | D | -1.2832 | |
| 451 | K | D | -2.0433 | |
| 452 | G | D | -0.9247 | |
| 453 | V | D | -0.0167 | |
| 454 | A | D | -0.0082 | |
| 455 | L | D | 0.1237 | |
| 456 | H | D | -1.1071 | |
| 457 | R | D | -2.0392 | |
| 458 | P | D | 0.0000 | |
| 459 | D | D | -0.7821 | |
| 460 | V | D | 0.0000 | |
| 461 | Y | D | 0.0000 | |
| 462 | L | D | 0.0000 | |
| 463 | L | D | 0.0000 | |
| 464 | P | D | -0.6643 | |
| 465 | P | D | 0.0000 | |
| 466 | A | D | 0.0000 | |
| 467 | R | D | -2.3488 | |
| 468 | E | D | -1.9595 | |
| 469 | Q | D | 0.0000 | |
| 470 | L | D | -1.9077 | |
| 471 | N | D | -1.6711 | |
| 472 | L | D | -0.6866 | |
| 473 | R | D | -2.7305 | |
| 474 | E | D | -2.6180 | |
| 475 | S | D | -1.5899 | |
| 476 | A | D | 0.0000 | |
| 477 | T | D | 0.0000 | |
| 478 | I | D | 0.0000 | |
| 479 | T | D | 0.0000 | |
| 480 | C | D | 0.0000 | |
| 481 | L | D | 0.0000 | |
| 482 | V | D | 0.0000 | |
| 483 | T | D | -0.5103 | |
| 484 | G | D | 0.0000 | |
| 485 | F | D | 0.0000 | |
| 486 | S | D | 0.0000 | |
| 487 | P | D | -0.4394 | |
| 488 | A | D | -0.4502 | |
| 489 | D | D | -0.8360 | |
| 490 | V | D | -0.1805 | |
| 491 | F | D | 0.3378 | |
| 492 | V | D | 0.0000 | |
| 493 | Q | D | -0.2920 | |
| 494 | W | D | 0.0000 | |
| 495 | M | D | -1.2537 | |
| 496 | Q | D | -1.7017 | |
| 497 | R | D | -2.5889 | |
| 498 | G | D | -1.9992 | |
| 499 | Q | D | -2.0943 | |
| 500 | P | D | -1.1956 | |
| 501 | L | D | 0.0000 | |
| 502 | S | D | -1.1947 | |
| 503 | P | D | -1.3599 | |
| 504 | E | D | -2.5056 | |
| 505 | K | D | -1.8431 | |
| 506 | Y | D | -0.9435 | |
| 507 | V | D | -0.3933 | |
| 508 | T | D | 0.1829 | |
| 509 | S | D | 0.0000 | |
| 510 | A | D | 0.0311 | |
| 511 | P | D | -0.2110 | |
| 512 | M | D | -0.0858 | |
| 513 | P | D | -0.7013 | |
| 514 | E | D | -1.2811 | |
| 515 | P | D | -1.7330 | |
| 516 | Q | D | -2.0813 | |
| 517 | A | D | -1.1356 | |
| 518 | P | D | -1.0959 | |
| 519 | G | D | -0.9641 | |
| 520 | R | D | -1.3402 | |
| 521 | Y | D | -0.5208 | |
| 522 | F | D | 0.0000 | |
| 523 | A | D | 0.0000 | |
| 524 | H | D | 0.0000 | |
| 525 | S | D | 0.0000 | |
| 526 | I | D | 0.0000 | |
| 527 | L | D | 0.0000 | |
| 528 | T | D | -0.5271 | |
| 529 | V | D | 0.0000 | |
| 530 | S | D | -1.7883 | |
| 531 | E | D | 0.0000 | |
| 532 | E | D | -3.1807 | |
| 533 | E | D | -2.1363 | |
| 534 | W | D | 0.0000 | |
| 535 | N | D | -2.4510 | |
| 536 | T | D | -1.6220 | |
| 537 | G | D | -1.5230 | |
| 538 | E | D | -1.6434 | |
| 539 | T | D | -1.1924 | |
| 540 | Y | D | 0.0000 | |
| 541 | T | D | -1.2519 | |
| 542 | C | D | 0.0000 | |
| 543 | V | D | 0.0000 | |
| 544 | V | D | 0.0000 | |
| 545 | A | D | 0.0000 | |
| 546 | H | D | 0.0000 | |
| 547 | E | D | -1.0783 | |
| 548 | A | D | -1.0907 | |
| 549 | L | D | 0.0000 | |
| 550 | P | D | -1.3688 | |
| 551 | N | D | -1.7229 | |
| 552 | R | D | -1.5727 | |
| 553 | V | D | -0.9887 | |
| 554 | T | D | -1.4508 | |
| 555 | E | D | -2.0061 | |
| 556 | R | D | -1.4628 | |
| 557 | T | D | -0.8275 | |
| 558 | V | D | 0.0000 | |
| 559 | D | D | -1.1634 | |
| 560 | K | D | -1.9324 | |
| 561 | S | D | -1.5786 | |
| 562 | T | D | -1.5167 | |
| 563 | G | D | -2.3768 | |
| 564 | K | D | -2.3984 | |
| 565 | P | D | -0.9232 | |
| 566 | T | D | 0.2018 | |
| 567 | L | D | 1.6984 | |
| 568 | Y | D | 1.9772 | |
| 569 | N | D | 0.9282 | |
| 570 | V | D | 2.5147 | |
| 571 | S | D | 1.9286 | |
| 572 | L | D | 2.9915 | |
| 573 | V | D | 2.9323 | |
| 574 | M | D | 1.7169 | |
| 575 | S | D | 0.2262 | |
| 576 | D | D | -1.3973 | |
| 577 | T | D | -0.9850 | |
| 578 | A | D | -0.8640 | |
| 579 | G | D | -0.6528 | |
| 580 | T | D | -0.0591 | |
| 581 | S | D | 0.2708 | |
| 582 | Y | D | 1.1365 |
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 globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.6057 | 4.6925 | View | CSV | PDB |
| 4.5 | -0.6635 | 4.5355 | View | CSV | PDB |
| 5.0 | -0.7322 | 4.3325 | View | CSV | PDB |
| 5.5 | -0.8 | 4.1173 | View | CSV | PDB |
| 6.0 | -0.8545 | 3.923 | View | CSV | PDB |
| 6.5 | -0.886 | 3.7825 | View | CSV | PDB |
| 7.0 | -0.8943 | 3.7071 | View | CSV | PDB |
| 7.5 | -0.8874 | 3.6763 | View | CSV | PDB |
| 8.0 | -0.8722 | 3.6773 | View | CSV | PDB |
| 8.5 | -0.85 | 3.7341 | View | CSV | PDB |
| 9.0 | -0.8195 | 3.7912 | 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