| Chain sequence(s) |
A: QSVLTQPPSASGTPGQSVTISCSGSRSNIGGNTVNWYQHLPGMAPKLLIYSSNQRSSGVPDRFSGSKSGTSASLAISGLQSEDDADYYCASWDDSLNGVVFGGGTKLTVLGRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
C: EVQLVESGPGLVKPSDILSLTCAVSGYSISSNYYWGWIRQPPGKGLEWIGSIYHSGSTYYKPSLESRLGISVDTSKNQFSLKLSFVSAADTAVYYCARHVRSGYPDTAYYFDKWGQGTLVTVSSGSASAPTLFPLVSCENSPSDTSSVAVGCLAQDFLPDSITFSWKYKNNSDISSTRGFPSVLRGGKYAATSQVLLPSKDVMQGTDEHVVCKVQHPNGNKEKNVPLPVIAELPPKVSVFVPPRDGFFGNPRKSKLICQATGFSPRQIQVSWLREGKQVGSGVTTDQVQAEAKESGPTTYKVTSTLTIKESDWLSQSMFTCRVDHRGLTFQQNASSMCVPDQDTAIRVFAIPPSFASIFLTKSTKLTCLVTDLTTYDSVTISWTRQNGEAVKTHTNISESHPNATFSAVGEASICEDDWNSGERFTCTVTHTDLPSPLKQTISRPKGVALHRPDVYLLPPAREQLNLRESATITCLVTGFSPADVFVQWMQRGQPLSPEKYVTSAPMPEPQAPGRYFAHSILTVSEEEWNTGETYTCVVAHEALPNRVTERTVDKSTGKPTLYNVSLVMSDTAGTCY B: QSVLTQPPSASGTPGQSVTISCSGSRSNIGGNTVNWYQHLPGMAPKLLIYSSNQRSSGVPDRFSGSKSGTSASLAISGLQSEDDADYYCASWDDSLNGVVFGGGTKLTVLGRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC E: EVQLVESGAEVKKPGSSVKVSCRASGTFYKYAINWVRQAPGQGLEWMGGIIPFFGTTNYAQKFQGRLTITADGSTNTAYMQLDSLRSEDTAVYYCAGPSITESHYCLDCAAKDYYYGLDVWGQGTTVTVSSGSASAPTLFPLVSCENSPSDTSSVAVGCLAQDFLPDSITFSWKYKNNSDISSTRGFPSVLRGGKYAATSQVLLPSKDVMQGTDEHVVCKVQHPNGNKEKNVPLPVIAELPPKVSVFVPPRDGFFGNPRKSKLICQATGFSPRQIQVSWLREGKQVGSGVTTDQVQAEAKESGPTTYKVTSTLTIKESDWLSQSMFTCRVDHRGLTFQQNASSMCVPDQDTAIRVFAIPPSFASIFLTKSTKLTCLVTDLTTYDSVTISWTRQNGEAVKTHTNISESHPNATFSAVGEASICEDDWNSGERFTCTVTHTDLPSPLKQTISRPKGVALHRPDVYLLPPAREQLNLRESATITCLVTGFSPADVFVQWMQRGQPLSPEKYVTSAPMPEPQAPGRYFAHSILTVSEEEWNTGETYTCVVAHEALPNRVTERTVDKSTGKPTLYNVSLVMSDTAGTCY D: EVQLVESGPGLVKPSDILSLTCAVSGYSISSNYYWGWIRQPPGKGLEWIGSIYHSGSTYYKPSLESRLGISVDTSKNQFSLKLSFVSAADTAVYYCARHVRSGYPDTAYYFDKWGQGTLVTVSSGSASAPTLFPLVSCENSPSDTSSVAVGCLAQDFLPDSITFSWKYKNNSDISSTRGFPSVLRGGKYAATSQVLLPSKDVMQGTDEHVVCKVQHPNGNKEKNVPLPVIAELPPKVSVFVPPRDGFFGNPRKSKLICQATGFSPRQIQVSWLREGKQVGSGVTTDQVQAEAKESGPTTYKVTSTLTIKESDWLSQSMFTCRVDHRGLTFQQNASSMCVPDQDTAIRVFAIPPSFASIFLTKSTKLTCLVTDLTTYDSVTISWTRQNGEAVKTHTNISESHPNATFSAVGEASICEDDWNSGERFTCTVTHTDLPSPLKQTISRPKGVALHRPDVYLLPPAREQLNLRESATITCLVTGFSPADVFVQWMQRGQPLSPEKYVTSAPMPEPQAPGRYFAHSILTVSEEEWNTGETYTCVVAHEALPNRVTERTVDKSTGKPTLYNVSLVMSDTAGTCY input PDB |
| Selected Chain(s) | A,C,B,E,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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:14)
[INFO] FoldX: Starting FoldX energy minimization (00:00:14)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:44:39)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/63a55cf6ce01359/tmp/folded.pdb (00:44:39)
[INFO] Main: Simulation completed successfully. (01:15:15)
|
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 | Q | A | -1.2213 | |
| 2 | S | A | -0.4728 | |
| 3 | V | A | 0.7304 | |
| 4 | L | A | 0.0000 | |
| 5 | T | A | -0.1835 | |
| 6 | Q | A | 0.0000 | |
| 7 | P | A | -0.4988 | |
| 8 | P | A | -0.7022 | |
| 9 | S | A | -0.7263 | |
| 10 | A | A | -0.5196 | |
| 11 | S | A | -0.3217 | |
| 12 | G | A | -0.4930 | |
| 13 | T | A | -0.6900 | |
| 14 | P | A | -1.3747 | |
| 15 | G | A | -1.5201 | |
| 16 | Q | A | -1.6880 | |
| 17 | S | A | -1.1359 | |
| 18 | V | A | -0.4329 | |
| 19 | T | A | -0.1402 | |
| 20 | I | A | 0.0000 | |
| 21 | S | A | -0.3091 | |
| 22 | C | A | 0.0000 | |
| 23 | S | A | -0.2937 | |
| 24 | G | A | -0.6322 | |
| 25 | S | A | -1.3373 | |
| 26 | R | A | -2.5824 | |
| 27 | S | A | -1.8457 | |
| 28 | N | A | 0.0000 | |
| 29 | I | A | 0.0000 | |
| 30 | G | A | -1.6105 | |
| 31 | G | A | -1.5936 | |
| 32 | N | A | 0.0000 | |
| 33 | T | A | 0.0000 | |
| 34 | V | A | 0.0000 | |
| 35 | N | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | Y | A | 0.0000 | |
| 38 | Q | A | 0.0000 | |
| 39 | H | A | 0.0000 | |
| 40 | L | A | -0.2721 | |
| 41 | P | A | -0.4917 | |
| 42 | G | A | -0.1913 | |
| 43 | M | A | 0.3556 | |
| 44 | A | A | -0.3492 | |
| 45 | P | A | 0.0000 | |
| 46 | K | A | -1.2801 | |
| 47 | L | A | 0.0000 | |
| 48 | L | A | 0.0000 | |
| 49 | I | A | 0.0000 | |
| 50 | Y | A | -0.4937 | |
| 51 | S | A | -0.9787 | |
| 52 | S | A | 0.0000 | |
| 53 | N | A | -1.7166 | |
| 54 | Q | A | -1.7434 | |
| 55 | R | A | -2.1414 | |
| 56 | S | A | -1.2349 | |
| 57 | S | A | -0.8504 | |
| 58 | G | A | -0.9931 | |
| 59 | V | A | 0.0000 | |
| 60 | P | A | -1.3934 | |
| 61 | D | A | -2.2930 | |
| 62 | R | A | -1.5214 | |
| 63 | F | A | 0.0000 | |
| 64 | S | A | -1.2587 | |
| 65 | G | A | 0.0000 | |
| 66 | S | A | -0.9705 | |
| 67 | K | A | -1.1011 | |
| 68 | S | A | -0.8064 | |
| 69 | G | A | -1.2899 | |
| 70 | T | A | -1.3002 | |
| 71 | S | A | -0.8366 | |
| 72 | A | A | 0.0000 | |
| 73 | S | A | -0.4624 | |
| 74 | L | A | 0.0000 | |
| 75 | A | A | -0.1954 | |
| 76 | I | A | 0.0000 | |
| 77 | S | A | -1.2375 | |
| 78 | G | A | -1.3984 | |
| 79 | L | A | 0.0000 | |
| 80 | Q | A | -1.9403 | |
| 81 | S | A | -1.9601 | |
| 82 | E | A | -2.2954 | |
| 83 | D | A | 0.0000 | |
| 84 | D | A | -1.4064 | |
| 85 | A | A | 0.0000 | |
| 86 | D | A | -0.8792 | |
| 87 | Y | A | 0.0000 | |
| 88 | Y | A | 0.0000 | |
| 89 | C | A | 0.0000 | |
| 90 | A | A | 0.0000 | |
| 91 | S | A | 0.0000 | |
| 92 | W | A | 0.0000 | |
| 93 | D | A | 0.0000 | |
| 94 | D | A | -2.2826 | |
| 95 | S | A | -1.3911 | |
| 96 | L | A | -0.9456 | |
| 97 | N | A | -1.7376 | |
| 98 | G | A | 0.0000 | |
| 99 | V | A | 0.0000 | |
| 100 | V | A | 0.0000 | |
| 101 | F | A | 0.0000 | |
| 102 | G | A | 0.0000 | |
| 103 | G | A | -0.9805 | |
| 104 | G | A | 0.0000 | |
| 105 | T | A | 0.0000 | |
| 106 | K | A | -1.0968 | |
| 107 | L | A | 0.0000 | |
| 108 | T | A | -0.4903 | |
| 109 | V | A | 0.0000 | |
| 110 | L | A | 0.1530 | |
| 111 | G | A | -0.5052 | |
| 112 | R | A | -0.4458 | |
| 113 | T | A | 0.1580 | |
| 114 | V | A | 0.3426 | |
| 115 | A | A | -0.0893 | |
| 116 | A | A | -0.0674 | |
| 117 | P | A | 0.0000 | |
| 118 | S | A | -0.2997 | |
| 119 | V | A | 0.0000 | |
| 120 | F | A | 0.0000 | |
| 121 | I | A | 0.0000 | |
| 122 | F | A | 0.0000 | |
| 123 | P | A | 0.0000 | |
| 124 | P | A | 0.0000 | |
| 125 | S | A | -1.4549 | |
| 126 | D | A | -2.8913 | |
| 127 | E | A | -3.0783 | |
| 128 | Q | A | 0.0000 | |
| 129 | L | A | -2.3318 | |
| 130 | K | A | -2.9278 | |
| 131 | S | A | -1.8271 | |
| 132 | G | A | -1.3015 | |
| 133 | T | A | -1.0061 | |
| 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 | -0.7035 | |
| 143 | F | A | 0.0000 | |
| 144 | Y | A | 0.0000 | |
| 145 | P | A | -1.4526 | |
| 146 | R | A | -3.1056 | |
| 147 | E | A | -3.2661 | |
| 148 | A | A | -2.3414 | |
| 149 | K | A | -2.4414 | |
| 150 | V | A | -1.1105 | |
| 151 | Q | A | -0.5938 | |
| 152 | W | A | 0.0000 | |
| 153 | K | A | -0.5305 | |
| 154 | V | A | 0.0000 | |
| 155 | D | A | -1.9056 | |
| 156 | N | A | -1.3528 | |
| 157 | A | A | -0.2514 | |
| 158 | L | A | 0.7151 | |
| 159 | Q | A | -0.0680 | |
| 160 | S | A | -0.4037 | |
| 161 | G | A | -0.8051 | |
| 162 | N | A | -0.6382 | |
| 163 | S | A | -0.9809 | |
| 164 | Q | A | -1.3317 | |
| 165 | E | A | -1.9081 | |
| 166 | S | A | -1.1155 | |
| 167 | V | A | -1.0202 | |
| 168 | T | A | -1.2891 | |
| 169 | E | A | -2.3503 | |
| 170 | Q | A | -2.0043 | |
| 171 | D | A | -1.9004 | |
| 172 | S | A | -2.0667 | |
| 173 | K | A | -2.1864 | |
| 174 | D | A | -1.6781 | |
| 175 | S | A | -1.4564 | |
| 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 | -0.5868 | |
| 183 | L | A | 0.0000 | |
| 184 | T | A | -0.3704 | |
| 185 | L | A | -0.5448 | |
| 186 | S | A | -0.9305 | |
| 187 | K | A | -1.9640 | |
| 188 | A | A | -1.7047 | |
| 189 | D | A | -2.1773 | |
| 190 | Y | A | 0.0000 | |
| 191 | E | A | -3.3657 | |
| 192 | K | A | -3.5018 | |
| 193 | H | A | -2.8998 | |
| 194 | K | A | -3.0189 | |
| 195 | V | A | -1.3627 | |
| 196 | Y | A | 0.0000 | |
| 197 | A | A | 0.0000 | |
| 198 | C | A | 0.0000 | |
| 199 | E | A | -0.5722 | |
| 200 | V | A | 0.0000 | |
| 201 | T | A | -1.2135 | |
| 202 | H | A | 0.0000 | |
| 203 | Q | A | -1.7935 | |
| 204 | G | A | -0.4407 | |
| 205 | L | A | -0.2499 | |
| 206 | S | A | -0.6235 | |
| 207 | S | A | -0.4130 | |
| 208 | P | A | -0.5853 | |
| 209 | V | A | 0.1420 | |
| 210 | T | A | -0.2551 | |
| 211 | K | A | -0.4428 | |
| 212 | S | A | -0.3669 | |
| 213 | F | A | 0.0000 | |
| 214 | N | A | -1.7507 | |
| 215 | R | A | -2.0737 | |
| 216 | G | A | -1.5964 | |
| 217 | E | A | -2.0639 | |
| 218 | C | A | -0.5388 | |
| 1 | Q | B | -1.2266 | |
| 2 | S | B | -0.4569 | |
| 3 | V | B | 0.7781 | |
| 4 | L | B | 0.0000 | |
| 5 | T | B | -0.1755 | |
| 6 | Q | B | 0.0000 | |
| 7 | P | B | -0.5029 | |
| 8 | P | B | -0.7077 | |
| 9 | S | B | -0.7284 | |
| 10 | A | B | -0.4908 | |
| 11 | S | B | -0.2654 | |
| 12 | G | B | 0.0000 | |
| 13 | T | B | -0.6938 | |
| 14 | P | B | -1.1719 | |
| 15 | G | B | -1.4446 | |
| 16 | Q | B | -1.7189 | |
| 17 | S | B | -1.1020 | |
| 18 | V | B | -0.4010 | |
| 19 | T | B | -0.1350 | |
| 20 | I | B | 0.0000 | |
| 21 | S | B | -0.3486 | |
| 22 | C | B | 0.0000 | |
| 23 | S | B | -0.4935 | |
| 24 | G | B | -0.4549 | |
| 25 | S | B | -1.0580 | |
| 26 | R | B | -2.3794 | |
| 27 | S | B | -1.8223 | |
| 28 | N | B | 0.0000 | |
| 29 | I | B | 0.0000 | |
| 30 | G | B | -1.4263 | |
| 31 | G | B | -1.6628 | |
| 32 | N | B | 0.0000 | |
| 33 | T | B | 0.0000 | |
| 34 | V | B | 0.0000 | |
| 35 | N | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | Y | B | 0.0000 | |
| 38 | Q | B | 0.0000 | |
| 39 | H | B | 0.0000 | |
| 40 | L | B | -0.2546 | |
| 41 | P | B | -0.4361 | |
| 42 | G | B | -0.1870 | |
| 43 | M | B | 0.3670 | |
| 44 | A | B | -0.3681 | |
| 45 | P | B | 0.0000 | |
| 46 | K | B | -1.2914 | |
| 47 | L | B | 0.0000 | |
| 48 | L | B | 0.0000 | |
| 49 | I | B | 0.0000 | |
| 50 | Y | B | -0.6672 | |
| 51 | S | B | -1.1401 | |
| 52 | S | B | 0.0000 | |
| 53 | N | B | -2.1433 | |
| 54 | Q | B | -1.9982 | |
| 55 | R | B | -2.1126 | |
| 56 | S | B | -1.1913 | |
| 57 | S | B | -0.7701 | |
| 58 | G | B | -0.8729 | |
| 59 | V | B | -1.1244 | |
| 60 | P | B | -1.2742 | |
| 61 | D | B | -2.1940 | |
| 62 | R | B | -1.4814 | |
| 63 | F | B | 0.0000 | |
| 64 | S | B | -1.3425 | |
| 65 | G | B | -1.2392 | |
| 66 | S | B | -1.1494 | |
| 67 | K | B | -1.1477 | |
| 68 | S | B | -0.8858 | |
| 69 | G | B | -1.2747 | |
| 70 | T | B | -1.2638 | |
| 71 | S | B | -0.8635 | |
| 72 | A | B | 0.0000 | |
| 73 | S | B | -0.5600 | |
| 74 | L | B | 0.0000 | |
| 75 | A | B | -0.2396 | |
| 76 | I | B | 0.0000 | |
| 77 | S | B | -1.2096 | |
| 78 | G | B | -1.1994 | |
| 79 | L | B | 0.0000 | |
| 80 | Q | B | -1.9549 | |
| 81 | S | B | -1.8573 | |
| 82 | E | B | -2.2864 | |
| 83 | D | B | 0.0000 | |
| 84 | D | B | -1.4454 | |
| 85 | A | B | 0.0000 | |
| 86 | D | B | -0.8785 | |
| 87 | Y | B | 0.0000 | |
| 88 | Y | B | 0.0000 | |
| 89 | C | B | 0.0000 | |
| 90 | A | B | 0.0000 | |
| 91 | S | B | 0.0000 | |
| 92 | W | B | 0.0000 | |
| 93 | D | B | 0.0000 | |
| 94 | D | B | -2.3372 | |
| 95 | S | B | -1.4328 | |
| 96 | L | B | -0.8614 | |
| 97 | N | B | -1.7534 | |
| 98 | G | B | 0.0000 | |
| 99 | V | B | 0.0000 | |
| 100 | V | B | 0.0000 | |
| 101 | F | B | 0.0000 | |
| 102 | G | B | 0.0000 | |
| 103 | G | B | -0.9592 | |
| 104 | G | B | 0.0000 | |
| 105 | T | B | 0.0000 | |
| 106 | K | B | -1.1316 | |
| 107 | L | B | 0.0000 | |
| 108 | T | B | -0.5062 | |
| 109 | V | B | 0.0000 | |
| 110 | L | B | 0.1786 | |
| 111 | G | B | -0.6732 | |
| 112 | R | B | -0.6442 | |
| 113 | T | B | 0.0576 | |
| 114 | V | B | 0.3399 | |
| 115 | A | B | -0.1288 | |
| 116 | A | B | -0.0677 | |
| 117 | P | B | 0.0000 | |
| 118 | S | B | -0.0288 | |
| 119 | V | B | 0.1241 | |
| 120 | F | B | 0.0211 | |
| 121 | I | B | 0.0000 | |
| 122 | F | B | 0.0000 | |
| 123 | P | B | 0.0000 | |
| 124 | P | B | 0.0000 | |
| 125 | S | B | -1.4802 | |
| 126 | D | B | -2.9839 | |
| 127 | E | B | -3.1117 | |
| 128 | Q | B | 0.0000 | |
| 129 | L | B | -2.3764 | |
| 130 | K | B | -2.9691 | |
| 131 | S | B | -1.8735 | |
| 132 | G | B | -1.3807 | |
| 133 | T | B | -1.0495 | |
| 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 | -0.7303 | |
| 143 | F | B | 0.0000 | |
| 144 | Y | B | 0.0000 | |
| 145 | P | B | -1.5364 | |
| 146 | R | B | -3.1820 | |
| 147 | E | B | -3.3073 | |
| 148 | A | B | -2.3800 | |
| 149 | K | B | -2.5246 | |
| 150 | V | B | -1.2363 | |
| 151 | Q | B | -0.7616 | |
| 152 | W | B | 0.0000 | |
| 153 | K | B | -0.5352 | |
| 154 | V | B | 0.0000 | |
| 155 | D | B | -1.6481 | |
| 156 | N | B | -1.2899 | |
| 157 | A | B | -0.2185 | |
| 158 | L | B | 0.6781 | |
| 159 | Q | B | -0.2372 | |
| 160 | S | B | -0.5867 | |
| 161 | G | B | -1.0362 | |
| 162 | N | B | -1.1146 | |
| 163 | S | B | -1.2364 | |
| 164 | Q | B | -1.3643 | |
| 165 | E | B | -1.9027 | |
| 166 | S | B | -1.0989 | |
| 167 | V | B | -1.0057 | |
| 168 | T | B | -1.2826 | |
| 169 | E | B | -2.3586 | |
| 170 | Q | B | -1.9948 | |
| 171 | D | B | -1.8985 | |
| 172 | S | B | -2.0443 | |
| 173 | K | B | -2.2014 | |
| 174 | D | B | -1.7213 | |
| 175 | S | B | -1.5108 | |
| 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 | -0.6617 | |
| 183 | L | B | 0.0000 | |
| 184 | T | B | -0.5030 | |
| 185 | L | B | -0.6607 | |
| 186 | S | B | -0.9570 | |
| 187 | K | B | -1.9790 | |
| 188 | A | B | -1.7099 | |
| 189 | D | B | -2.1967 | |
| 190 | Y | B | 0.0000 | |
| 191 | E | B | -3.1600 | |
| 192 | K | B | -3.3328 | |
| 193 | H | B | -2.5577 | |
| 194 | K | B | -2.3751 | |
| 195 | V | B | -0.9333 | |
| 196 | Y | B | 0.0000 | |
| 197 | A | B | 0.0000 | |
| 198 | C | B | 0.0000 | |
| 199 | E | B | -0.6638 | |
| 200 | V | B | 0.0000 | |
| 201 | T | B | -1.2679 | |
| 202 | H | B | 0.0000 | |
| 203 | Q | B | -1.8026 | |
| 204 | G | B | -0.4508 | |
| 205 | L | B | -0.2595 | |
| 206 | S | B | -0.4664 | |
| 207 | S | B | -0.4237 | |
| 208 | P | B | -0.5852 | |
| 209 | V | B | 0.0973 | |
| 210 | T | B | -0.3075 | |
| 211 | K | B | -0.5524 | |
| 212 | S | B | -0.5142 | |
| 213 | F | B | 0.0000 | |
| 214 | N | B | -1.5087 | |
| 215 | R | B | -1.9293 | |
| 216 | G | B | -1.6638 | |
| 217 | E | B | -2.1288 | |
| 218 | C | B | -0.6396 | |
| 1 | E | C | -2.1738 | |
| 2 | V | C | -1.4973 | |
| 3 | Q | C | -1.7243 | |
| 4 | L | C | 0.0000 | |
| 5 | V | C | 0.0300 | |
| 6 | E | C | 0.0000 | |
| 7 | S | C | -0.2863 | |
| 8 | G | C | -0.5784 | |
| 9 | P | C | -0.3120 | |
| 10 | G | C | -0.1693 | |
| 11 | L | C | -0.3303 | |
| 12 | V | C | 0.0000 | |
| 13 | K | C | -2.0487 | |
| 14 | P | C | -1.0727 | |
| 15 | S | C | -0.4946 | |
| 16 | D | C | -1.3950 | |
| 17 | I | C | -0.4111 | |
| 18 | L | C | 0.0000 | |
| 19 | S | C | -1.0025 | |
| 20 | L | C | 0.0000 | |
| 21 | T | C | -0.4744 | |
| 22 | C | C | 0.0000 | |
| 23 | A | C | -0.5622 | |
| 24 | V | C | 0.0000 | |
| 25 | S | C | -0.9916 | |
| 26 | G | C | -1.1193 | |
| 27 | Y | C | -0.2379 | |
| 28 | S | C | -0.4750 | |
| 29 | I | C | 0.0000 | |
| 30 | S | C | -0.5935 | |
| 31 | S | C | -0.6530 | |
| 32 | N | C | -1.2825 | |
| 33 | Y | C | -0.4147 | |
| 34 | Y | C | -0.0950 | |
| 35 | W | C | 0.0000 | |
| 36 | G | C | 0.0000 | |
| 37 | W | C | 0.0000 | |
| 38 | I | C | 0.0000 | |
| 39 | R | C | 0.0000 | |
| 40 | Q | C | -0.7124 | |
| 41 | P | C | -0.8432 | |
| 42 | P | C | -0.9765 | |
| 43 | G | C | -1.4606 | |
| 44 | K | C | -2.3522 | |
| 45 | G | C | -1.5209 | |
| 46 | L | C | 0.0000 | |
| 47 | E | C | -0.8636 | |
| 48 | W | C | 0.0000 | |
| 49 | I | C | 0.0000 | |
| 50 | G | C | 0.0000 | |
| 51 | S | C | 0.0000 | |
| 52 | I | C | 0.0000 | |
| 53 | Y | C | -0.3228 | |
| 54 | H | C | -0.8090 | |
| 55 | S | C | -0.6829 | |
| 56 | G | C | -0.6299 | |
| 57 | S | C | -0.3542 | |
| 58 | T | C | -0.0574 | |
| 59 | Y | C | -0.1979 | |
| 60 | Y | C | -0.6831 | |
| 61 | K | C | -1.0060 | |
| 62 | P | C | -1.1775 | |
| 63 | S | C | -0.9325 | |
| 64 | L | C | 0.0000 | |
| 65 | E | C | -2.1648 | |
| 66 | S | C | -1.1833 | |
| 67 | R | C | -0.9030 | |
| 68 | L | C | 0.0000 | |
| 69 | G | C | -1.2225 | |
| 70 | I | C | 0.0000 | |
| 71 | S | C | -0.6464 | |
| 72 | V | C | -0.6014 | |
| 73 | D | C | -1.3433 | |
| 74 | T | C | -1.2090 | |
| 75 | S | C | -1.3587 | |
| 76 | K | C | -2.1956 | |
| 77 | N | C | -1.4383 | |
| 78 | Q | C | -1.1408 | |
| 79 | F | C | 0.0000 | |
| 80 | S | C | -0.7278 | |
| 81 | L | C | 0.0000 | |
| 82 | K | C | -1.7343 | |
| 83 | L | C | 0.0000 | |
| 84 | S | C | 0.0773 | |
| 85 | F | C | 1.1270 | |
| 86 | V | C | 0.0000 | |
| 87 | S | C | -0.2109 | |
| 88 | A | C | -0.2926 | |
| 89 | A | C | -0.0078 | |
| 90 | D | C | 0.0000 | |
| 91 | T | C | 0.0740 | |
| 92 | A | C | 0.0000 | |
| 93 | V | C | 0.2611 | |
| 94 | Y | C | 0.0000 | |
| 95 | Y | C | 0.0000 | |
| 96 | C | C | 0.0000 | |
| 97 | A | C | 0.0000 | |
| 98 | R | C | 0.0000 | |
| 99 | H | C | 0.0000 | |
| 100 | V | C | -0.1092 | |
| 101 | R | C | -0.5811 | |
| 102 | S | C | -0.5867 | |
| 103 | G | C | -0.5379 | |
| 104 | Y | C | 0.2687 | |
| 105 | P | C | -0.4606 | |
| 106 | D | C | -1.6551 | |
| 107 | T | C | -0.9190 | |
| 108 | A | C | 0.0000 | |
| 109 | Y | C | 0.0000 | |
| 110 | Y | C | 0.0448 | |
| 111 | F | C | 0.0000 | |
| 112 | D | C | -0.7527 | |
| 113 | K | C | -1.4199 | |
| 114 | W | C | -0.8352 | |
| 115 | G | C | 0.0000 | |
| 116 | Q | C | -0.8678 | |
| 117 | G | C | 0.0000 | |
| 118 | T | C | -0.0642 | |
| 119 | L | C | 0.1560 | |
| 120 | V | C | 0.0000 | |
| 121 | T | C | 0.0000 | |
| 122 | V | C | 0.0000 | |
| 123 | S | C | -0.8951 | |
| 124 | S | C | -0.9773 | |
| 125 | G | C | -0.8634 | |
| 126 | S | C | -0.6243 | |
| 127 | A | C | -0.5524 | |
| 128 | S | C | -0.7665 | |
| 129 | A | C | -1.1975 | |
| 130 | P | C | 0.0000 | |
| 131 | T | C | -0.8372 | |
| 132 | L | C | 0.0000 | |
| 133 | F | C | 0.0000 | |
| 134 | P | C | -0.7544 | |
| 135 | L | C | 0.0000 | |
| 136 | V | C | 0.3659 | |
| 137 | S | C | 0.1138 | |
| 138 | C | C | -0.3217 | |
| 139 | E | C | -0.7033 | |
| 140 | N | C | 0.0184 | |
| 141 | S | C | -0.3812 | |
| 142 | P | C | -0.8872 | |
| 143 | S | C | -1.4534 | |
| 144 | D | C | -2.1833 | |
| 145 | T | C | -1.1136 | |
| 146 | S | C | -1.2817 | |
| 147 | S | C | -0.8990 | |
| 148 | V | C | 0.0000 | |
| 149 | A | C | 0.0000 | |
| 150 | V | C | 0.0000 | |
| 151 | G | C | 0.0000 | |
| 152 | C | C | 0.0000 | |
| 153 | L | C | 0.0000 | |
| 154 | A | C | 0.0000 | |
| 155 | Q | C | -0.8244 | |
| 156 | D | C | -1.7659 | |
| 157 | F | C | 0.0000 | |
| 158 | L | C | 0.0000 | |
| 159 | P | C | 0.0000 | |
| 160 | D | C | -0.4040 | |
| 161 | S | C | -0.4594 | |
| 162 | I | C | -0.4975 | |
| 163 | T | C | -0.6041 | |
| 164 | F | C | -0.5519 | |
| 165 | S | C | -1.0179 | |
| 166 | W | C | 0.0000 | |
| 167 | K | C | -2.2296 | |
| 168 | Y | C | -2.4058 | |
| 169 | K | C | -3.4271 | |
| 170 | N | C | -2.9653 | |
| 171 | N | C | -2.9042 | |
| 172 | S | C | -2.3383 | |
| 173 | D | C | -2.6364 | |
| 174 | I | C | 0.0000 | |
| 175 | S | C | -0.8140 | |
| 176 | S | C | -0.4523 | |
| 177 | T | C | -0.4799 | |
| 178 | R | C | -0.5173 | |
| 179 | G | C | -0.6943 | |
| 180 | F | C | 0.0000 | |
| 181 | P | C | -0.5364 | |
| 182 | S | C | -0.1669 | |
| 183 | V | C | -0.0517 | |
| 184 | L | C | 0.1675 | |
| 185 | R | C | -0.8082 | |
| 186 | G | C | -1.0147 | |
| 187 | G | C | -0.9594 | |
| 188 | K | C | -1.2171 | |
| 189 | Y | C | -0.5269 | |
| 190 | A | C | -0.4084 | |
| 191 | A | C | 0.0000 | |
| 192 | T | C | 0.0000 | |
| 193 | S | C | 0.0000 | |
| 194 | Q | C | 0.0000 | |
| 195 | V | C | 0.0000 | |
| 196 | L | C | 0.0605 | |
| 197 | L | C | 0.0000 | |
| 198 | P | C | -1.2544 | |
| 199 | S | C | 0.0000 | |
| 200 | K | C | -3.0196 | |
| 201 | D | C | -3.1020 | |
| 202 | V | C | -1.7130 | |
| 203 | M | C | -1.4904 | |
| 204 | Q | C | -2.3592 | |
| 205 | G | C | -2.1472 | |
| 206 | T | C | -1.5687 | |
| 207 | D | C | -2.3926 | |
| 208 | E | C | -2.2314 | |
| 209 | H | C | -1.7696 | |
| 210 | V | C | 0.0000 | |
| 211 | V | C | -2.0086 | |
| 212 | C | C | 0.0000 | |
| 213 | K | C | -2.2897 | |
| 214 | V | C | 0.0000 | |
| 215 | Q | C | -2.3531 | |
| 216 | H | C | 0.0000 | |
| 217 | P | C | -1.2319 | |
| 218 | N | C | -1.4851 | |
| 219 | G | C | -1.7239 | |
| 220 | N | C | -2.9028 | |
| 221 | K | C | -2.9671 | |
| 222 | E | C | -3.3279 | |
| 223 | K | C | -2.3014 | |
| 224 | N | C | -2.4226 | |
| 225 | V | C | 0.0000 | |
| 226 | P | C | -0.8148 | |
| 227 | L | C | 0.0000 | |
| 228 | P | C | 0.0000 | |
| 229 | V | C | 1.3399 | |
| 230 | I | C | 0.6140 | |
| 231 | A | C | -0.2710 | |
| 232 | E | C | -1.6879 | |
| 233 | L | C | -1.0104 | |
| 234 | P | C | -0.8780 | |
| 235 | P | C | 0.0000 | |
| 236 | K | C | -1.4039 | |
| 237 | V | C | -0.9594 | |
| 238 | S | C | -0.9036 | |
| 239 | V | C | 0.0000 | |
| 240 | F | C | 0.0000 | |
| 241 | V | C | 0.0000 | |
| 242 | P | C | 0.0000 | |
| 243 | P | C | -0.7338 | |
| 244 | R | C | -1.3022 | |
| 245 | D | C | -2.1990 | |
| 246 | G | C | 0.0000 | |
| 247 | F | C | -1.5696 | |
| 248 | F | C | -1.3492 | |
| 249 | G | C | -1.7782 | |
| 250 | N | C | -2.3276 | |
| 251 | P | C | -2.2216 | |
| 252 | R | C | -2.8613 | |
| 253 | K | C | -2.4421 | |
| 254 | S | C | 0.0000 | |
| 255 | K | C | -0.8295 | |
| 256 | L | C | 0.0000 | |
| 257 | I | C | 0.0000 | |
| 258 | C | C | 0.0000 | |
| 259 | Q | C | -0.5805 | |
| 260 | A | C | 0.0000 | |
| 261 | T | C | -0.8624 | |
| 262 | G | C | -0.8687 | |
| 263 | F | C | 0.0000 | |
| 264 | S | C | 0.0000 | |
| 265 | P | C | 0.0000 | |
| 266 | R | C | -1.6312 | |
| 267 | Q | C | -1.2920 | |
| 268 | I | C | -1.0615 | |
| 269 | Q | C | -1.4903 | |
| 270 | V | C | -0.7629 | |
| 271 | S | C | -0.7590 | |
| 272 | W | C | 0.0000 | |
| 273 | L | C | -2.1814 | |
| 274 | R | C | -2.3950 | |
| 275 | E | C | -2.9444 | |
| 276 | G | C | -2.5363 | |
| 277 | K | C | -3.1451 | |
| 278 | Q | C | -2.5410 | |
| 279 | V | C | -1.2861 | |
| 280 | G | C | -0.8476 | |
| 281 | S | C | -0.5081 | |
| 282 | G | C | -0.3435 | |
| 283 | V | C | -0.0083 | |
| 284 | T | C | -0.4522 | |
| 285 | T | C | -1.0215 | |
| 286 | D | C | -1.9716 | |
| 287 | Q | C | -2.2184 | |
| 288 | V | C | -1.6918 | |
| 289 | Q | C | -1.4839 | |
| 290 | A | C | -1.1383 | |
| 291 | E | C | -1.1516 | |
| 292 | A | C | -1.3617 | |
| 293 | K | C | -2.6441 | |
| 294 | E | C | -2.9816 | |
| 295 | S | C | -2.0914 | |
| 296 | G | C | -1.5679 | |
| 297 | P | C | -0.9885 | |
| 298 | T | C | 0.0000 | |
| 299 | T | C | 0.0000 | |
| 300 | Y | C | 0.0000 | |
| 301 | K | C | -1.2736 | |
| 302 | V | C | 0.0000 | |
| 303 | T | C | -0.8140 | |
| 304 | S | C | 0.0000 | |
| 305 | T | C | -0.3153 | |
| 306 | L | C | 0.0000 | |
| 307 | T | C | -0.6730 | |
| 308 | I | C | 0.0000 | |
| 309 | K | C | -2.1196 | |
| 310 | E | C | -1.6633 | |
| 311 | S | C | -1.3385 | |
| 312 | D | C | -1.2504 | |
| 313 | W | C | 0.0000 | |
| 314 | L | C | -0.5919 | |
| 315 | S | C | -0.7501 | |
| 316 | Q | C | -1.1553 | |
| 317 | S | C | 0.0000 | |
| 318 | M | C | -1.0397 | |
| 319 | F | C | 0.0000 | |
| 320 | T | C | 0.0000 | |
| 321 | C | C | 0.0000 | |
| 322 | R | C | -1.5639 | |
| 323 | V | C | 0.0000 | |
| 324 | D | C | -1.0377 | |
| 325 | H | C | 0.0000 | |
| 326 | R | C | -2.1987 | |
| 327 | G | C | -0.7827 | |
| 328 | L | C | 0.3478 | |
| 329 | T | C | -0.3535 | |
| 330 | F | C | -0.4998 | |
| 331 | Q | C | -1.6559 | |
| 332 | Q | C | -1.6410 | |
| 333 | N | C | -2.1086 | |
| 334 | A | C | 0.0000 | |
| 335 | S | C | -0.2510 | |
| 336 | S | C | -0.0956 | |
| 337 | M | C | 0.6501 | |
| 338 | C | C | 0.1270 | |
| 339 | V | C | -0.2783 | |
| 340 | P | C | -1.2841 | |
| 341 | D | C | -2.6569 | |
| 342 | Q | C | -2.8133 | |
| 343 | D | C | -2.8981 | |
| 344 | T | C | -1.9748 | |
| 345 | A | C | -1.6083 | |
| 346 | I | C | 0.0000 | |
| 347 | R | C | -1.6384 | |
| 348 | V | C | -0.3075 | |
| 349 | F | C | 0.7943 | |
| 350 | A | C | 0.8040 | |
| 351 | I | C | 1.0614 | |
| 352 | P | C | 0.2302 | |
| 353 | P | C | -0.2306 | |
| 354 | S | C | -0.0805 | |
| 355 | F | C | 0.0991 | |
| 356 | A | C | 0.3756 | |
| 357 | S | C | 0.1954 | |
| 358 | I | C | -0.0446 | |
| 359 | F | C | 0.5054 | |
| 360 | L | C | 1.2620 | |
| 361 | T | C | -0.1198 | |
| 362 | K | C | -1.2278 | |
| 363 | S | C | -0.7825 | |
| 364 | T | C | 0.0000 | |
| 365 | K | C | -1.1930 | |
| 366 | L | C | 0.0000 | |
| 367 | T | C | 0.0951 | |
| 368 | C | C | 0.0000 | |
| 369 | L | C | 0.7555 | |
| 370 | V | C | 0.0000 | |
| 371 | T | C | -0.3791 | |
| 372 | D | C | -0.8830 | |
| 373 | L | C | 0.0000 | |
| 374 | T | C | -0.3661 | |
| 375 | T | C | -0.2812 | |
| 376 | Y | C | 0.1020 | |
| 377 | D | C | -1.3507 | |
| 378 | S | C | -0.7613 | |
| 379 | V | C | -0.1892 | |
| 380 | T | C | -0.2069 | |
| 381 | I | C | 0.0000 | |
| 382 | S | C | -0.8170 | |
| 383 | W | C | 0.0000 | |
| 384 | T | C | -1.9794 | |
| 385 | R | C | -2.8863 | |
| 386 | Q | C | -3.3410 | |
| 387 | N | C | -3.1088 | |
| 388 | G | C | -2.6903 | |
| 389 | E | C | -2.9704 | |
| 390 | A | C | -1.7399 | |
| 391 | V | C | -1.3867 | |
| 392 | K | C | -2.1117 | |
| 393 | T | C | -1.5799 | |
| 394 | H | C | -1.8124 | |
| 395 | T | C | -1.1057 | |
| 396 | N | C | -1.2738 | |
| 397 | I | C | -0.2175 | |
| 398 | S | C | -0.7704 | |
| 399 | E | C | -1.9474 | |
| 400 | S | C | -1.3360 | |
| 401 | H | C | -1.4053 | |
| 402 | P | C | -1.2399 | |
| 403 | N | C | -1.5275 | |
| 404 | A | C | -1.0144 | |
| 405 | T | C | -0.7512 | |
| 406 | F | C | -0.3300 | |
| 407 | S | C | 0.0000 | |
| 408 | A | C | 0.0000 | |
| 409 | V | C | 0.1860 | |
| 410 | G | C | 0.0000 | |
| 411 | E | C | -1.2538 | |
| 412 | A | C | 0.0000 | |
| 413 | S | C | -0.9593 | |
| 414 | I | C | -0.6233 | |
| 415 | C | C | -0.7166 | |
| 416 | E | C | -1.5932 | |
| 417 | D | C | -2.2388 | |
| 418 | D | C | -1.8025 | |
| 419 | W | C | 0.0000 | |
| 420 | N | C | -1.8068 | |
| 421 | S | C | -1.7815 | |
| 422 | G | C | -1.7906 | |
| 423 | E | C | -2.2720 | |
| 424 | R | C | -2.8926 | |
| 425 | F | C | 0.0000 | |
| 426 | T | C | -1.4488 | |
| 427 | C | C | 0.0000 | |
| 428 | T | C | -0.8157 | |
| 429 | V | C | 0.0000 | |
| 430 | T | C | -0.4891 | |
| 431 | H | C | 0.0000 | |
| 432 | T | C | -0.7623 | |
| 433 | D | C | -1.4638 | |
| 434 | L | C | 0.0000 | |
| 435 | P | C | -1.0374 | |
| 436 | S | C | -1.0186 | |
| 437 | P | C | -0.9882 | |
| 438 | L | C | -1.2286 | |
| 439 | K | C | -1.7454 | |
| 440 | Q | C | -0.8593 | |
| 441 | T | C | -1.0239 | |
| 442 | I | C | -0.3700 | |
| 443 | S | C | -1.3888 | |
| 444 | R | C | -1.4113 | |
| 445 | P | C | -1.2727 | |
| 446 | K | C | -2.0511 | |
| 447 | G | C | -0.9483 | |
| 448 | V | C | -0.0507 | |
| 449 | A | C | 0.0948 | |
| 450 | L | C | 0.3512 | |
| 451 | H | C | -0.6679 | |
| 452 | R | C | -1.3975 | |
| 453 | P | C | 0.0000 | |
| 454 | D | C | -0.9478 | |
| 455 | V | C | 0.0000 | |
| 456 | Y | C | -0.8590 | |
| 457 | L | C | -0.6083 | |
| 458 | L | C | 0.0000 | |
| 459 | P | C | -0.5870 | |
| 460 | P | C | 0.0000 | |
| 461 | A | C | 0.0000 | |
| 462 | R | C | -2.8887 | |
| 463 | E | C | -3.0509 | |
| 464 | Q | C | 0.0000 | |
| 465 | L | C | -2.4954 | |
| 466 | N | C | -2.5611 | |
| 467 | L | C | -1.6242 | |
| 468 | R | C | -3.2373 | |
| 469 | E | C | -2.9376 | |
| 470 | S | C | -1.9018 | |
| 471 | A | C | 0.0000 | |
| 472 | T | C | 0.0000 | |
| 473 | I | C | 0.0000 | |
| 474 | T | C | 0.0000 | |
| 475 | C | C | 0.0000 | |
| 476 | L | C | 0.0000 | |
| 477 | V | C | 0.0000 | |
| 478 | T | C | -0.4801 | |
| 479 | G | C | 0.0000 | |
| 480 | F | C | 0.0000 | |
| 481 | S | C | 0.0000 | |
| 482 | P | C | -0.2732 | |
| 483 | A | C | -0.3086 | |
| 484 | D | C | -0.6170 | |
| 485 | V | C | -0.0003 | |
| 486 | F | C | 0.4117 | |
| 487 | V | C | 0.0000 | |
| 488 | Q | C | 0.0000 | |
| 489 | W | C | 0.0000 | |
| 490 | M | C | -1.1438 | |
| 491 | Q | C | -1.5890 | |
| 492 | R | C | -2.5338 | |
| 493 | G | C | -1.9609 | |
| 494 | Q | C | -2.0299 | |
| 495 | P | C | -1.0708 | |
| 496 | L | C | -1.0251 | |
| 497 | S | C | -1.1501 | |
| 498 | P | C | -1.3439 | |
| 499 | E | C | -2.4559 | |
| 500 | K | C | -1.8043 | |
| 501 | Y | C | -0.9215 | |
| 502 | V | C | -0.3094 | |
| 503 | T | C | 0.1817 | |
| 504 | S | C | 0.0000 | |
| 505 | A | C | 0.0582 | |
| 506 | P | C | -0.1158 | |
| 507 | M | C | -0.0118 | |
| 508 | P | C | -0.6587 | |
| 509 | E | C | -1.2615 | |
| 510 | P | C | -1.7596 | |
| 511 | Q | C | -2.0387 | |
| 512 | A | C | -1.1044 | |
| 513 | P | C | -1.0454 | |
| 514 | G | C | -0.9105 | |
| 515 | R | C | -1.1113 | |
| 516 | Y | C | -0.3842 | |
| 517 | F | C | 0.0000 | |
| 518 | A | C | 0.0000 | |
| 519 | H | C | 0.0000 | |
| 520 | S | C | 0.0000 | |
| 521 | I | C | 0.0000 | |
| 522 | L | C | 0.0000 | |
| 523 | T | C | -0.4021 | |
| 524 | V | C | 0.0000 | |
| 525 | S | C | -1.9473 | |
| 526 | E | C | -2.7403 | |
| 527 | E | C | -3.2927 | |
| 528 | E | C | -2.3282 | |
| 529 | W | C | 0.0000 | |
| 530 | N | C | -2.2179 | |
| 531 | T | C | -1.5607 | |
| 532 | G | C | -1.4727 | |
| 533 | E | C | -1.5892 | |
| 534 | T | C | -1.1584 | |
| 535 | Y | C | 0.0000 | |
| 536 | T | C | -1.1907 | |
| 537 | C | C | 0.0000 | |
| 538 | V | C | 0.0000 | |
| 539 | V | C | 0.0000 | |
| 540 | A | C | 0.0000 | |
| 541 | H | C | 0.0000 | |
| 542 | E | C | -1.0621 | |
| 543 | A | C | -0.8901 | |
| 544 | L | C | 0.0000 | |
| 545 | P | C | -1.3750 | |
| 546 | N | C | -1.9007 | |
| 547 | R | C | -1.8954 | |
| 548 | V | C | -1.1345 | |
| 549 | T | C | -1.4399 | |
| 550 | E | C | -1.9823 | |
| 551 | R | C | -1.4341 | |
| 552 | T | C | -0.7974 | |
| 553 | V | C | 0.0000 | |
| 554 | D | C | -1.0805 | |
| 555 | K | C | -1.7635 | |
| 556 | S | C | -1.5026 | |
| 557 | T | C | -1.3103 | |
| 558 | G | C | -2.1900 | |
| 559 | K | C | -2.2492 | |
| 560 | P | C | -0.8683 | |
| 561 | T | C | 0.1799 | |
| 562 | L | C | 1.7904 | |
| 563 | Y | C | 1.8762 | |
| 564 | N | C | 0.8097 | |
| 565 | V | C | 1.9065 | |
| 566 | S | C | 1.5318 | |
| 567 | L | C | 2.3606 | |
| 568 | V | C | 2.4720 | |
| 569 | M | C | 1.3694 | |
| 570 | S | C | 0.0576 | |
| 571 | D | C | -1.4758 | |
| 572 | T | C | -0.9783 | |
| 573 | A | C | -0.7212 | |
| 574 | G | C | -0.3794 | |
| 575 | T | C | 0.4184 | |
| 576 | C | C | 1.2362 | |
| 577 | Y | C | 1.5953 | |
| 1 | E | D | -2.1307 | |
| 2 | V | D | -1.3748 | |
| 3 | Q | D | -1.4856 | |
| 4 | L | D | 0.0000 | |
| 5 | V | D | 0.3907 | |
| 6 | E | D | 0.0000 | |
| 7 | S | D | -0.2084 | |
| 8 | G | D | -0.5849 | |
| 9 | P | D | -0.3176 | |
| 10 | G | D | -0.1755 | |
| 11 | L | D | -0.3437 | |
| 12 | V | D | 0.0000 | |
| 13 | K | D | -1.9336 | |
| 14 | P | D | -0.9564 | |
| 15 | S | D | -0.3130 | |
| 16 | D | D | -1.0093 | |
| 17 | I | D | 0.0986 | |
| 18 | L | D | 0.0000 | |
| 19 | S | D | -0.8404 | |
| 20 | L | D | 0.0000 | |
| 21 | T | D | -0.4112 | |
| 22 | C | D | 0.0000 | |
| 23 | A | D | -0.4455 | |
| 24 | V | D | 0.0000 | |
| 25 | S | D | -0.9915 | |
| 26 | G | D | -1.1228 | |
| 27 | Y | D | -0.2456 | |
| 28 | S | D | -0.4763 | |
| 29 | I | D | 0.0000 | |
| 30 | S | D | -0.5870 | |
| 31 | S | D | -0.6353 | |
| 32 | N | D | -1.2509 | |
| 33 | Y | D | -0.3556 | |
| 34 | Y | D | -0.0502 | |
| 35 | W | D | 0.0000 | |
| 36 | G | D | 0.0000 | |
| 37 | W | D | 0.0000 | |
| 38 | I | D | 0.0000 | |
| 39 | R | D | 0.0000 | |
| 40 | Q | D | -0.6886 | |
| 41 | P | D | 0.0000 | |
| 42 | P | D | -0.9590 | |
| 43 | G | D | -1.4496 | |
| 44 | K | D | -2.3437 | |
| 45 | G | D | -1.5049 | |
| 46 | L | D | 0.0000 | |
| 47 | E | D | -0.8615 | |
| 48 | W | D | 0.0000 | |
| 49 | I | D | 0.0000 | |
| 50 | G | D | 0.0000 | |
| 51 | S | D | 0.0000 | |
| 52 | I | D | 0.0000 | |
| 53 | Y | D | -0.3488 | |
| 54 | H | D | -0.8197 | |
| 55 | S | D | -0.6996 | |
| 56 | G | D | -0.6652 | |
| 57 | S | D | -0.3616 | |
| 58 | T | D | -0.0568 | |
| 59 | Y | D | -0.1926 | |
| 60 | Y | D | -0.6694 | |
| 61 | K | D | -0.9731 | |
| 62 | P | D | -1.1867 | |
| 63 | S | D | -0.9351 | |
| 64 | L | D | 0.0000 | |
| 65 | E | D | -2.1591 | |
| 66 | S | D | -1.1803 | |
| 67 | R | D | -0.8291 | |
| 68 | L | D | 0.0000 | |
| 69 | G | D | -1.1671 | |
| 70 | I | D | 0.0000 | |
| 71 | S | D | -0.6534 | |
| 72 | V | D | -0.6615 | |
| 73 | D | D | -1.3641 | |
| 74 | T | D | -1.2196 | |
| 75 | S | D | -1.3610 | |
| 76 | K | D | -2.2144 | |
| 77 | N | D | -1.4768 | |
| 78 | Q | D | -1.1320 | |
| 79 | F | D | 0.0000 | |
| 80 | S | D | -0.7012 | |
| 81 | L | D | 0.0000 | |
| 82 | K | D | -1.5169 | |
| 83 | L | D | 0.0000 | |
| 84 | S | D | 0.3186 | |
| 85 | F | D | 1.2947 | |
| 86 | V | D | 0.0000 | |
| 87 | S | D | -0.1435 | |
| 88 | A | D | -0.2906 | |
| 89 | A | D | -0.0027 | |
| 90 | D | D | 0.0000 | |
| 91 | T | D | 0.0841 | |
| 92 | A | D | 0.0000 | |
| 93 | V | D | 0.2818 | |
| 94 | Y | D | 0.0000 | |
| 95 | Y | D | 0.0000 | |
| 96 | C | D | 0.0000 | |
| 97 | A | D | 0.0000 | |
| 98 | R | D | 0.0000 | |
| 99 | H | D | 0.0000 | |
| 100 | V | D | 0.0085 | |
| 101 | R | D | -0.4791 | |
| 102 | S | D | -0.5615 | |
| 103 | G | D | -0.5194 | |
| 104 | Y | D | 0.2746 | |
| 105 | P | D | -0.5151 | |
| 106 | D | D | -1.6754 | |
| 107 | T | D | -1.0668 | |
| 108 | A | D | 0.0000 | |
| 109 | Y | D | 0.0000 | |
| 110 | Y | D | 0.0888 | |
| 111 | F | D | 0.0000 | |
| 112 | D | D | -0.7197 | |
| 113 | K | D | -1.4047 | |
| 114 | W | D | -0.6935 | |
| 115 | G | D | 0.0000 | |
| 116 | Q | D | -0.8457 | |
| 117 | G | D | 0.0000 | |
| 118 | T | D | -0.0138 | |
| 119 | L | D | 0.1505 | |
| 120 | V | D | 0.0000 | |
| 121 | T | D | 0.0000 | |
| 122 | V | D | 0.0000 | |
| 123 | S | D | -0.9241 | |
| 124 | S | D | -1.0148 | |
| 125 | G | D | -0.9116 | |
| 126 | S | D | -0.6482 | |
| 127 | A | D | -0.5209 | |
| 128 | S | D | -0.6960 | |
| 129 | A | D | -1.1465 | |
| 130 | P | D | 0.0000 | |
| 131 | T | D | -0.7505 | |
| 132 | L | D | 0.0000 | |
| 133 | F | D | 0.0000 | |
| 134 | P | D | -0.7098 | |
| 135 | L | D | 0.0000 | |
| 136 | V | D | 0.3140 | |
| 137 | S | D | -0.0854 | |
| 138 | C | D | -0.6522 | |
| 139 | E | D | -1.5326 | |
| 140 | N | D | -1.1095 | |
| 141 | S | D | -1.0503 | |
| 142 | P | D | -1.3353 | |
| 143 | S | D | -1.4173 | |
| 144 | D | D | -2.0188 | |
| 145 | T | D | -1.1589 | |
| 146 | S | D | -1.1025 | |
| 147 | S | D | -0.9177 | |
| 148 | V | D | 0.0000 | |
| 149 | A | D | 0.0000 | |
| 150 | V | D | 0.0000 | |
| 151 | G | D | 0.0000 | |
| 152 | C | D | 0.0000 | |
| 153 | L | D | 0.0000 | |
| 154 | A | D | 0.0000 | |
| 155 | Q | D | 0.0000 | |
| 156 | D | D | -1.4209 | |
| 157 | F | D | 0.0000 | |
| 158 | L | D | 0.0000 | |
| 159 | P | D | 0.0000 | |
| 160 | D | D | -0.4084 | |
| 161 | S | D | -0.5025 | |
| 162 | I | D | -0.5114 | |
| 163 | T | D | -0.6192 | |
| 164 | F | D | -0.5813 | |
| 165 | S | D | -1.0375 | |
| 166 | W | D | 0.0000 | |
| 167 | K | D | -2.1799 | |
| 168 | Y | D | -2.3445 | |
| 169 | K | D | -3.3715 | |
| 170 | N | D | -2.9542 | |
| 171 | N | D | -2.8951 | |
| 172 | S | D | -2.3188 | |
| 173 | D | D | -2.6127 | |
| 174 | I | D | 0.0000 | |
| 175 | S | D | -0.7948 | |
| 176 | S | D | -0.4391 | |
| 177 | T | D | -0.4627 | |
| 178 | R | D | -0.4971 | |
| 179 | G | D | -0.6655 | |
| 180 | F | D | 0.0000 | |
| 181 | P | D | -0.6181 | |
| 182 | S | D | -0.0764 | |
| 183 | V | D | 0.1771 | |
| 184 | L | D | 0.5855 | |
| 185 | R | D | -0.5394 | |
| 186 | G | D | -0.9431 | |
| 187 | G | D | -0.9167 | |
| 188 | K | D | -1.0284 | |
| 189 | Y | D | -0.3064 | |
| 190 | A | D | 0.0000 | |
| 191 | A | D | 0.0000 | |
| 192 | T | D | 0.0000 | |
| 193 | S | D | 0.0000 | |
| 194 | Q | D | 0.0000 | |
| 195 | V | D | 0.0000 | |
| 196 | L | D | 0.0720 | |
| 197 | L | D | 0.0000 | |
| 198 | P | D | -1.2477 | |
| 199 | S | D | 0.0000 | |
| 200 | K | D | -2.8477 | |
| 201 | D | D | -2.9625 | |
| 202 | V | D | -1.6647 | |
| 203 | M | D | -1.4989 | |
| 204 | Q | D | -2.3228 | |
| 205 | G | D | -1.9344 | |
| 206 | T | D | -1.6512 | |
| 207 | D | D | -2.2808 | |
| 208 | E | D | -2.3820 | |
| 209 | H | D | -1.8530 | |
| 210 | V | D | 0.0000 | |
| 211 | V | D | -1.9451 | |
| 212 | C | D | 0.0000 | |
| 213 | K | D | -2.4152 | |
| 214 | V | D | 0.0000 | |
| 215 | Q | D | -2.4057 | |
| 216 | H | D | 0.0000 | |
| 217 | P | D | -1.2368 | |
| 218 | N | D | -1.4849 | |
| 219 | G | D | -1.7445 | |
| 220 | N | D | -2.9775 | |
| 221 | K | D | -3.0998 | |
| 222 | E | D | -3.3663 | |
| 223 | K | D | -2.1890 | |
| 224 | N | D | -2.1173 | |
| 225 | V | D | 0.0000 | |
| 226 | P | D | -0.8123 | |
| 227 | L | D | 0.0000 | |
| 228 | P | D | 0.1628 | |
| 229 | V | D | 0.6567 | |
| 230 | I | D | 0.2807 | |
| 231 | A | D | -0.5580 | |
| 232 | E | D | -1.6949 | |
| 233 | L | D | -1.0762 | |
| 234 | P | D | -0.9543 | |
| 235 | P | D | 0.0000 | |
| 236 | K | D | -1.7973 | |
| 237 | V | D | 0.0000 | |
| 238 | S | D | -0.4200 | |
| 239 | V | D | 0.7886 | |
| 240 | F | D | 1.7918 | |
| 241 | V | D | 1.5209 | |
| 242 | P | D | -0.3686 | |
| 243 | P | D | -1.3124 | |
| 244 | R | D | -2.7144 | |
| 245 | D | D | -2.5063 | |
| 246 | G | D | -1.5544 | |
| 247 | F | D | 0.0000 | |
| 248 | F | D | 0.1432 | |
| 249 | G | D | -1.0898 | |
| 250 | N | D | -2.0145 | |
| 251 | P | D | -1.9398 | |
| 252 | R | D | -2.1972 | |
| 253 | K | D | -2.2071 | |
| 254 | S | D | 0.0000 | |
| 255 | K | D | -1.0816 | |
| 256 | L | D | 0.0000 | |
| 257 | I | D | 1.0164 | |
| 258 | C | D | 0.0000 | |
| 259 | Q | D | -0.3963 | |
| 260 | A | D | 0.0000 | |
| 261 | T | D | -1.0478 | |
| 262 | G | D | -0.7329 | |
| 263 | F | D | 0.0000 | |
| 264 | S | D | 0.0000 | |
| 265 | P | D | 0.0000 | |
| 266 | R | D | -1.4121 | |
| 267 | Q | D | -1.9168 | |
| 268 | I | D | -1.3198 | |
| 269 | Q | D | -1.6151 | |
| 270 | V | D | -0.8416 | |
| 271 | S | D | -0.7579 | |
| 272 | W | D | 0.0000 | |
| 273 | L | D | -2.1305 | |
| 274 | R | D | -2.3494 | |
| 275 | E | D | -2.5117 | |
| 276 | G | D | -2.4110 | |
| 277 | K | D | -3.0180 | |
| 278 | Q | D | -2.4803 | |
| 279 | V | D | -1.2348 | |
| 280 | G | D | -0.8360 | |
| 281 | S | D | -0.5029 | |
| 282 | G | D | -0.4417 | |
| 283 | V | D | -0.0871 | |
| 284 | T | D | -0.4959 | |
| 285 | T | D | -1.1840 | |
| 286 | D | D | -2.5178 | |
| 287 | Q | D | -2.3313 | |
| 288 | V | D | -1.8228 | |
| 289 | Q | D | -1.9921 | |
| 290 | A | D | -1.3120 | |
| 291 | E | D | -1.3465 | |
| 292 | A | D | -1.4745 | |
| 293 | K | D | -2.6914 | |
| 294 | E | D | -2.8166 | |
| 295 | S | D | -1.8402 | |
| 296 | G | D | -1.3626 | |
| 297 | P | D | -1.0252 | |
| 298 | T | D | -1.0789 | |
| 299 | T | D | 0.0000 | |
| 300 | Y | D | 0.0000 | |
| 301 | K | D | -1.4222 | |
| 302 | V | D | 0.0000 | |
| 303 | T | D | -0.9152 | |
| 304 | S | D | 0.0000 | |
| 305 | T | D | -0.2074 | |
| 306 | L | D | 0.0000 | |
| 307 | T | D | -0.9415 | |
| 308 | I | D | 0.0000 | |
| 309 | K | D | -2.3126 | |
| 310 | E | D | -2.1161 | |
| 311 | S | D | -1.5936 | |
| 312 | D | D | -1.8713 | |
| 313 | W | D | 0.0000 | |
| 314 | L | D | -0.7794 | |
| 315 | S | D | -0.8989 | |
| 316 | Q | D | -1.1079 | |
| 317 | S | D | 0.0000 | |
| 318 | M | D | -1.0512 | |
| 319 | F | D | 0.0000 | |
| 320 | T | D | 0.0000 | |
| 321 | C | D | 0.0000 | |
| 322 | R | D | -1.7049 | |
| 323 | V | D | 0.0000 | |
| 324 | D | D | -1.0233 | |
| 325 | H | D | 0.0000 | |
| 326 | R | D | -2.2307 | |
| 327 | G | D | -0.6224 | |
| 328 | L | D | 0.6726 | |
| 329 | T | D | -0.1886 | |
| 330 | F | D | -0.5439 | |
| 331 | Q | D | -1.8203 | |
| 332 | Q | D | -1.6030 | |
| 333 | N | D | -1.8918 | |
| 334 | A | D | 0.0000 | |
| 335 | S | D | 0.0652 | |
| 336 | S | D | 0.3386 | |
| 337 | M | D | 1.6032 | |
| 338 | C | D | 1.5802 | |
| 339 | V | D | 1.6325 | |
| 340 | P | D | -0.5264 | |
| 341 | D | D | -2.4817 | |
| 342 | Q | D | -2.9101 | |
| 343 | D | D | -3.1435 | |
| 344 | T | D | -2.3190 | |
| 345 | A | D | -1.4183 | |
| 346 | I | D | 0.0000 | |
| 347 | R | D | -1.7433 | |
| 348 | V | D | 0.0000 | |
| 349 | F | D | 0.5592 | |
| 350 | A | D | 0.6197 | |
| 351 | I | D | 1.1042 | |
| 352 | P | D | 0.2916 | |
| 353 | P | D | -0.2319 | |
| 354 | S | D | -0.2114 | |
| 355 | F | D | 0.0000 | |
| 356 | A | D | 0.2681 | |
| 357 | S | D | 0.1978 | |
| 358 | I | D | 0.0000 | |
| 359 | F | D | 0.0000 | |
| 360 | L | D | 1.3602 | |
| 361 | T | D | 0.1422 | |
| 362 | K | D | -0.6035 | |
| 363 | S | D | 0.0000 | |
| 364 | T | D | 0.0000 | |
| 365 | K | D | -1.0185 | |
| 366 | L | D | 0.0000 | |
| 367 | T | D | 0.0196 | |
| 368 | C | D | 0.0000 | |
| 369 | L | D | 0.5919 | |
| 370 | V | D | 0.0000 | |
| 371 | T | D | -0.4234 | |
| 372 | D | D | -0.8266 | |
| 373 | L | D | 0.0000 | |
| 374 | T | D | -0.3195 | |
| 375 | T | D | -0.3791 | |
| 376 | Y | D | 0.1006 | |
| 377 | D | D | -1.3608 | |
| 378 | S | D | -0.9027 | |
| 379 | V | D | -0.2985 | |
| 380 | T | D | -0.2044 | |
| 381 | I | D | 0.0000 | |
| 382 | S | D | -0.8710 | |
| 383 | W | D | 0.0000 | |
| 384 | T | D | -1.6827 | |
| 385 | R | D | -2.5167 | |
| 386 | Q | D | -3.1394 | |
| 387 | N | D | -2.8516 | |
| 388 | G | D | -2.3046 | |
| 389 | E | D | -2.2303 | |
| 390 | A | D | -1.3548 | |
| 391 | V | D | -1.2485 | |
| 392 | K | D | -2.1129 | |
| 393 | T | D | -1.7054 | |
| 394 | H | D | -1.9524 | |
| 395 | T | D | -1.2106 | |
| 396 | N | D | -1.3308 | |
| 397 | I | D | -0.1954 | |
| 398 | S | D | -0.7805 | |
| 399 | E | D | -1.9579 | |
| 400 | S | D | -1.3634 | |
| 401 | H | D | -1.4648 | |
| 402 | P | D | -1.2735 | |
| 403 | N | D | -1.5309 | |
| 404 | A | D | -1.0169 | |
| 405 | T | D | -0.7346 | |
| 406 | F | D | -0.3141 | |
| 407 | S | D | 0.0000 | |
| 408 | A | D | 0.0000 | |
| 409 | V | D | 0.0323 | |
| 410 | G | D | 0.0000 | |
| 411 | E | D | -1.6188 | |
| 412 | A | D | 0.0000 | |
| 413 | S | D | -1.3222 | |
| 414 | I | D | 0.0000 | |
| 415 | C | D | -1.3018 | |
| 416 | E | D | -1.6949 | |
| 417 | D | D | -2.2909 | |
| 418 | D | D | -1.9180 | |
| 419 | W | D | 0.0000 | |
| 420 | N | D | -2.3298 | |
| 421 | S | D | -1.9526 | |
| 422 | G | D | -1.9288 | |
| 423 | E | D | -2.3153 | |
| 424 | R | D | -2.8505 | |
| 425 | F | D | 0.0000 | |
| 426 | T | D | -1.4661 | |
| 427 | C | D | 0.0000 | |
| 428 | T | D | -0.8583 | |
| 429 | V | D | 0.0000 | |
| 430 | T | D | -0.5816 | |
| 431 | H | D | 0.0000 | |
| 432 | T | D | -1.1795 | |
| 433 | D | D | -2.0732 | |
| 434 | L | D | 0.0000 | |
| 435 | P | D | -0.9664 | |
| 436 | S | D | -0.7832 | |
| 437 | P | D | -0.8708 | |
| 438 | L | D | -1.0439 | |
| 439 | K | D | -1.8599 | |
| 440 | Q | D | -1.1300 | |
| 441 | T | D | -1.1392 | |
| 442 | I | D | -0.4179 | |
| 443 | S | D | -1.4796 | |
| 444 | R | D | -1.5895 | |
| 445 | P | D | -1.3505 | |
| 446 | K | D | -2.1150 | |
| 447 | G | D | -0.8511 | |
| 448 | V | D | 0.1473 | |
| 449 | A | D | 0.3344 | |
| 450 | L | D | 0.8298 | |
| 451 | H | D | -0.5391 | |
| 452 | R | D | -1.3545 | |
| 453 | P | D | 0.0000 | |
| 454 | D | D | -0.9419 | |
| 455 | V | D | 0.0000 | |
| 456 | Y | D | 0.9889 | |
| 457 | L | D | 0.9435 | |
| 458 | L | D | 1.2164 | |
| 459 | P | D | -0.0355 | |
| 460 | P | D | 0.0000 | |
| 461 | A | D | -1.5421 | |
| 462 | R | D | -2.8546 | |
| 463 | E | D | -3.0599 | |
| 464 | Q | D | -2.2350 | |
| 465 | L | D | -2.5062 | |
| 466 | N | D | -2.4908 | |
| 467 | L | D | -1.1826 | |
| 468 | R | D | -3.0599 | |
| 469 | E | D | -2.8141 | |
| 470 | S | D | -1.8146 | |
| 471 | A | D | 0.0000 | |
| 472 | T | D | 0.1901 | |
| 473 | I | D | 0.0000 | |
| 474 | T | D | 0.7567 | |
| 475 | C | D | 0.0000 | |
| 476 | L | D | 0.6944 | |
| 477 | V | D | 0.0000 | |
| 478 | T | D | -0.2521 | |
| 479 | G | D | 0.0000 | |
| 480 | F | D | 0.0000 | |
| 481 | S | D | 0.0000 | |
| 482 | P | D | -0.0967 | |
| 483 | A | D | -0.1728 | |
| 484 | D | D | -0.5218 | |
| 485 | V | D | 0.0190 | |
| 486 | F | D | 0.2496 | |
| 487 | V | D | 0.0000 | |
| 488 | Q | D | 0.0294 | |
| 489 | W | D | 0.0000 | |
| 490 | M | D | 0.0000 | |
| 491 | Q | D | -1.6397 | |
| 492 | R | D | -2.5100 | |
| 493 | G | D | -1.8789 | |
| 494 | Q | D | -2.0248 | |
| 495 | P | D | -1.1170 | |
| 496 | L | D | -1.0893 | |
| 497 | S | D | -1.2131 | |
| 498 | P | D | -1.0770 | |
| 499 | E | D | -1.9580 | |
| 500 | K | D | -1.2024 | |
| 501 | Y | D | 0.1815 | |
| 502 | V | D | 1.3946 | |
| 503 | T | D | 0.9298 | |
| 504 | S | D | 0.4466 | |
| 505 | A | D | 0.2551 | |
| 506 | P | D | 0.1066 | |
| 507 | M | D | 0.3478 | |
| 508 | P | D | -0.4548 | |
| 509 | E | D | -0.8301 | |
| 510 | P | D | -1.0477 | |
| 511 | Q | D | -1.5814 | |
| 512 | A | D | -1.1353 | |
| 513 | P | D | -1.0735 | |
| 514 | G | D | -0.8953 | |
| 515 | R | D | -1.0231 | |
| 516 | Y | D | -0.2578 | |
| 517 | F | D | 0.2424 | |
| 518 | A | D | 0.0000 | |
| 519 | H | D | 0.3577 | |
| 520 | S | D | 0.0000 | |
| 521 | I | D | 1.2070 | |
| 522 | L | D | 0.0000 | |
| 523 | T | D | 0.1605 | |
| 524 | V | D | 0.0000 | |
| 525 | S | D | -1.8945 | |
| 526 | E | D | -2.6718 | |
| 527 | E | D | -3.2059 | |
| 528 | E | D | -2.1104 | |
| 529 | W | D | 0.0000 | |
| 530 | N | D | -2.1613 | |
| 531 | T | D | -1.4975 | |
| 532 | G | D | -1.4385 | |
| 533 | E | D | -1.5585 | |
| 534 | T | D | -1.1689 | |
| 535 | Y | D | 0.0000 | |
| 536 | T | D | -0.8870 | |
| 537 | C | D | 0.0000 | |
| 538 | V | D | 0.0000 | |
| 539 | V | D | 0.0000 | |
| 540 | A | D | 0.0000 | |
| 541 | H | D | 0.0000 | |
| 542 | E | D | -0.3945 | |
| 543 | A | D | -0.2908 | |
| 544 | L | D | 0.0000 | |
| 545 | P | D | -0.4415 | |
| 546 | N | D | 0.0000 | |
| 547 | R | D | -0.3304 | |
| 548 | V | D | 0.0000 | |
| 549 | T | D | -0.4955 | |
| 550 | E | D | -0.6092 | |
| 551 | R | D | -0.6897 | |
| 552 | T | D | -0.4385 | |
| 553 | V | D | 0.0000 | |
| 554 | D | D | -1.1066 | |
| 555 | K | D | -1.7494 | |
| 556 | S | D | -1.4641 | |
| 557 | T | D | -1.2931 | |
| 558 | G | D | -1.5204 | |
| 559 | K | D | -1.8840 | |
| 560 | P | D | -0.6242 | |
| 561 | T | D | 0.2165 | |
| 562 | L | D | 1.6638 | |
| 563 | Y | D | 1.7583 | |
| 564 | N | D | 0.5820 | |
| 565 | V | D | 2.1060 | |
| 566 | S | D | 1.4259 | |
| 567 | L | D | 2.1745 | |
| 568 | V | D | 2.5267 | |
| 569 | M | D | 1.5032 | |
| 570 | S | D | 0.0948 | |
| 571 | D | D | -1.4025 | |
| 572 | T | D | -0.9883 | |
| 573 | A | D | -0.7410 | |
| 574 | G | D | -0.3711 | |
| 575 | T | D | 0.4314 | |
| 576 | C | D | 1.2187 | |
| 577 | Y | D | 1.5981 | |
| 1 | E | E | -1.8710 | |
| 2 | V | E | -1.0472 | |
| 3 | Q | E | -1.1353 | |
| 4 | L | E | 0.0000 | |
| 5 | V | E | -0.3560 | |
| 6 | E | E | 0.0000 | |
| 7 | S | E | -0.7841 | |
| 8 | G | E | -0.7698 | |
| 9 | A | E | -0.5512 | |
| 10 | E | E | -1.0019 | |
| 11 | V | E | -0.6142 | |
| 12 | K | E | -1.6172 | |
| 13 | K | E | -2.3993 | |
| 14 | P | E | -2.1144 | |
| 15 | G | E | -1.6153 | |
| 16 | S | E | -1.3552 | |
| 17 | S | E | -1.4568 | |
| 18 | V | E | 0.0000 | |
| 19 | K | E | -1.7727 | |
| 20 | V | E | 0.0000 | |
| 21 | S | E | -0.6221 | |
| 22 | C | E | 0.0000 | |
| 23 | R | E | -1.4062 | |
| 24 | A | E | 0.0000 | |
| 25 | S | E | -0.9961 | |
| 26 | G | E | -0.6825 | |
| 27 | T | E | -0.3185 | |
| 28 | F | E | 0.0000 | |
| 29 | Y | E | 0.7124 | |
| 30 | K | E | 0.2060 | |
| 31 | Y | E | 0.0000 | |
| 32 | A | E | 0.0000 | |
| 33 | I | E | 0.0000 | |
| 34 | N | E | 0.0000 | |
| 35 | W | E | 0.0000 | |
| 36 | V | E | 0.0000 | |
| 37 | R | E | 0.0000 | |
| 38 | Q | E | -0.3624 | |
| 39 | A | E | -0.9717 | |
| 40 | P | E | -1.1257 | |
| 41 | G | E | -1.2112 | |
| 42 | Q | E | -1.5622 | |
| 43 | G | E | -0.6292 | |
| 44 | L | E | 0.7932 | |
| 45 | E | E | 0.1568 | |
| 46 | W | E | 0.3397 | |
| 47 | M | E | 0.0000 | |
| 48 | G | E | 0.0000 | |
| 49 | G | E | 0.0000 | |
| 50 | I | E | 0.0000 | |
| 51 | I | E | 0.0000 | |
| 52 | P | E | 0.0000 | |
| 53 | F | E | 2.2922 | |
| 54 | F | E | 2.4380 | |
| 55 | G | E | 0.9122 | |
| 56 | T | E | 0.6154 | |
| 57 | T | E | 0.0801 | |
| 58 | N | E | -0.6070 | |
| 59 | Y | E | -0.7316 | |
| 60 | A | E | -1.2442 | |
| 61 | Q | E | -2.4153 | |
| 62 | K | E | -2.6400 | |
| 63 | F | E | 0.0000 | |
| 64 | Q | E | -2.3815 | |
| 65 | G | E | -1.6724 | |
| 66 | R | E | -1.4868 | |
| 67 | L | E | 0.0000 | |
| 68 | T | E | -0.7385 | |
| 69 | I | E | 0.0000 | |
| 70 | T | E | -0.3144 | |
| 71 | A | E | -0.3850 | |
| 72 | D | E | -1.0850 | |
| 73 | G | E | -0.5352 | |
| 74 | S | E | -0.5881 | |
| 75 | T | E | -0.8576 | |
| 76 | N | E | -0.9908 | |
| 77 | T | E | 0.0000 | |
| 78 | A | E | 0.0000 | |
| 79 | Y | E | -0.5388 | |
| 80 | M | E | 0.0000 | |
| 81 | Q | E | -1.2272 | |
| 82 | L | E | 0.0000 | |
| 83 | D | E | -1.4432 | |
| 84 | S | E | -1.3424 | |
| 85 | L | E | 0.0000 | |
| 86 | R | E | -2.7555 | |
| 87 | S | E | -2.1961 | |
| 88 | E | E | -2.4466 | |
| 89 | D | E | 0.0000 | |
| 90 | T | E | -1.0843 | |
| 91 | A | E | 0.0000 | |
| 92 | V | E | 0.3021 | |
| 93 | Y | E | 0.0000 | |
| 94 | Y | E | 0.2351 | |
| 95 | C | E | 0.0000 | |
| 96 | A | E | 0.0000 | |
| 97 | G | E | 0.0000 | |
| 98 | P | E | -0.4903 | |
| 99 | S | E | -0.9550 | |
| 100 | I | E | -0.6579 | |
| 101 | T | E | -1.2117 | |
| 102 | E | E | -1.8615 | |
| 103 | S | E | -1.1512 | |
| 104 | H | E | -0.6654 | |
| 105 | Y | E | 0.2419 | |
| 106 | C | E | 0.2187 | |
| 107 | L | E | 0.8287 | |
| 108 | D | E | -0.8443 | |
| 109 | C | E | -0.5880 | |
| 110 | A | E | -0.8367 | |
| 111 | A | E | -0.8747 | |
| 112 | K | E | -1.8957 | |
| 113 | D | E | -1.5503 | |
| 114 | Y | E | -0.3781 | |
| 115 | Y | E | -0.0762 | |
| 116 | Y | E | 0.4197 | |
| 117 | G | E | -0.2479 | |
| 118 | L | E | -0.0691 | |
| 119 | D | E | -1.3622 | |
| 120 | V | E | -0.7976 | |
| 121 | W | E | -0.1781 | |
| 122 | G | E | -0.4701 | |
| 123 | Q | E | -1.0367 | |
| 124 | G | E | -0.4214 | |
| 125 | T | E | 0.0000 | |
| 126 | T | E | -0.3010 | |
| 127 | V | E | 0.0000 | |
| 128 | T | E | 0.0000 | |
| 129 | V | E | 0.0000 | |
| 130 | S | E | 0.0000 | |
| 131 | S | E | -1.3057 | |
| 132 | G | E | -0.9463 | |
| 133 | S | E | -0.6904 | |
| 134 | A | E | -0.5797 | |
| 135 | S | E | -0.6697 | |
| 136 | A | E | -1.1267 | |
| 137 | P | E | 0.0000 | |
| 138 | T | E | -0.5241 | |
| 139 | L | E | 0.0000 | |
| 140 | F | E | 0.6770 | |
| 141 | P | E | 0.4365 | |
| 142 | L | E | 1.0935 | |
| 143 | V | E | 0.9820 | |
| 144 | S | E | 0.0466 | |
| 145 | C | E | -0.0985 | |
| 146 | E | E | -1.7859 | |
| 147 | N | E | -1.3332 | |
| 148 | S | E | -1.1537 | |
| 149 | P | E | -1.5836 | |
| 150 | S | E | -1.4715 | |
| 151 | D | E | -2.1226 | |
| 152 | T | E | -1.3093 | |
| 153 | S | E | -1.0721 | |
| 154 | S | E | -0.7707 | |
| 155 | V | E | 0.0000 | |
| 156 | A | E | 0.2631 | |
| 157 | V | E | 0.0000 | |
| 158 | G | E | 0.0000 | |
| 159 | C | E | 0.0000 | |
| 160 | L | E | 0.6502 | |
| 161 | A | E | 0.0000 | |
| 162 | Q | E | -0.7225 | |
| 163 | D | E | -1.5185 | |
| 164 | F | E | 0.0000 | |
| 165 | L | E | 0.0000 | |
| 166 | P | E | 0.0000 | |
| 167 | D | E | -0.5088 | |
| 168 | S | E | -0.6044 | |
| 169 | I | E | -0.5424 | |
| 170 | T | E | -0.6046 | |
| 171 | F | E | -0.6560 | |
| 172 | S | E | -1.2402 | |
| 173 | W | E | 0.0000 | |
| 174 | K | E | -2.2550 | |
| 175 | Y | E | -2.4534 | |
| 176 | K | E | -3.4436 | |
| 177 | N | E | -2.9835 | |
| 178 | N | E | -2.9191 | |
| 179 | S | E | -2.3334 | |
| 180 | D | E | -2.6457 | |
| 181 | I | E | 0.0000 | |
| 182 | S | E | -0.9756 | |
| 183 | S | E | -0.7669 | |
| 184 | T | E | -1.2856 | |
| 185 | R | E | -1.8882 | |
| 186 | G | E | -0.9052 | |
| 187 | F | E | 0.4335 | |
| 188 | P | E | 0.3002 | |
| 189 | S | E | 0.1460 | |
| 190 | V | E | 0.3728 | |
| 191 | L | E | -0.3419 | |
| 192 | R | E | -1.8854 | |
| 193 | G | E | -1.4622 | |
| 194 | G | E | -1.1147 | |
| 195 | K | E | -1.3885 | |
| 196 | Y | E | 0.0000 | |
| 197 | A | E | 0.0000 | |
| 198 | A | E | 0.0000 | |
| 199 | T | E | 0.1868 | |
| 200 | S | E | 0.0000 | |
| 201 | Q | E | -0.6343 | |
| 202 | V | E | 0.0000 | |
| 203 | L | E | -0.0348 | |
| 204 | L | E | 0.0000 | |
| 205 | P | E | -0.9964 | |
| 206 | S | E | 0.0000 | |
| 207 | K | E | -2.2217 | |
| 208 | D | E | -1.9165 | |
| 209 | V | E | 0.0000 | |
| 210 | M | E | 0.0000 | |
| 211 | Q | E | -1.6441 | |
| 212 | G | E | -1.4766 | |
| 213 | T | E | -1.5424 | |
| 214 | D | E | -2.1268 | |
| 215 | E | E | -2.2585 | |
| 216 | H | E | -1.9944 | |
| 217 | V | E | 0.0000 | |
| 218 | V | E | -2.1203 | |
| 219 | C | E | 0.0000 | |
| 220 | K | E | -2.3392 | |
| 221 | V | E | 0.0000 | |
| 222 | Q | E | -2.3458 | |
| 223 | H | E | 0.0000 | |
| 224 | P | E | -1.2823 | |
| 225 | N | E | -1.5319 | |
| 226 | G | E | -1.7316 | |
| 227 | N | E | -2.8775 | |
| 228 | K | E | -2.9614 | |
| 229 | E | E | -3.3082 | |
| 230 | K | E | -2.2977 | |
| 231 | N | E | -2.3529 | |
| 232 | V | E | 0.0000 | |
| 233 | P | E | -0.6723 | |
| 234 | L | E | 0.0000 | |
| 235 | P | E | 0.0000 | |
| 236 | V | E | 0.9835 | |
| 237 | I | E | 0.2759 | |
| 238 | A | E | -0.5429 | |
| 239 | E | E | -1.6214 | |
| 240 | L | E | -0.9919 | |
| 241 | P | E | -0.8348 | |
| 242 | P | E | 0.0000 | |
| 243 | K | E | -1.3100 | |
| 244 | V | E | -0.9257 | |
| 245 | S | E | 0.0000 | |
| 246 | V | E | 0.0000 | |
| 247 | F | E | 0.0000 | |
| 248 | V | E | 0.0000 | |
| 249 | P | E | 0.0000 | |
| 250 | P | E | -1.4769 | |
| 251 | R | E | -2.5525 | |
| 252 | D | E | -2.7177 | |
| 253 | G | E | 0.0000 | |
| 254 | F | E | 0.0000 | |
| 255 | F | E | -1.5745 | |
| 256 | G | E | -1.8980 | |
| 257 | N | E | -2.4275 | |
| 258 | P | E | -2.3471 | |
| 259 | R | E | -2.9846 | |
| 260 | K | E | -2.6537 | |
| 261 | S | E | 0.0000 | |
| 262 | K | E | -0.9586 | |
| 263 | L | E | 0.0000 | |
| 264 | I | E | 0.0000 | |
| 265 | C | E | 0.0000 | |
| 266 | Q | E | -0.6016 | |
| 267 | A | E | 0.0000 | |
| 268 | T | E | -0.8898 | |
| 269 | G | E | -0.6241 | |
| 270 | F | E | 0.0000 | |
| 271 | S | E | 0.0000 | |
| 272 | P | E | -0.8417 | |
| 273 | R | E | -1.4822 | |
| 274 | Q | E | -1.4950 | |
| 275 | I | E | -1.1976 | |
| 276 | Q | E | -1.5487 | |
| 277 | V | E | -0.8045 | |
| 278 | S | E | -0.7535 | |
| 279 | W | E | 0.0000 | |
| 280 | L | E | -2.2568 | |
| 281 | R | E | -2.4454 | |
| 282 | E | E | -3.0859 | |
| 283 | G | E | -2.5589 | |
| 284 | K | E | -3.2001 | |
| 285 | Q | E | -2.5685 | |
| 286 | V | E | -1.2959 | |
| 287 | G | E | -0.8367 | |
| 288 | S | E | -0.4800 | |
| 289 | G | E | -0.2925 | |
| 290 | V | E | 0.0043 | |
| 291 | T | E | -0.4841 | |
| 292 | T | E | -1.0979 | |
| 293 | D | E | -2.3150 | |
| 294 | Q | E | -2.2570 | |
| 295 | V | E | -1.8266 | |
| 296 | Q | E | -1.9495 | |
| 297 | A | E | -1.4181 | |
| 298 | E | E | -1.2903 | |
| 299 | A | E | -1.4097 | |
| 300 | K | E | -2.5590 | |
| 301 | E | E | -2.7519 | |
| 302 | S | E | -2.0599 | |
| 303 | G | E | -1.6299 | |
| 304 | P | E | -1.2956 | |
| 305 | T | E | -1.2465 | |
| 306 | T | E | 0.0000 | |
| 307 | Y | E | 0.0000 | |
| 308 | K | E | -1.4477 | |
| 309 | V | E | 0.0000 | |
| 310 | T | E | -0.9811 | |
| 311 | S | E | 0.0000 | |
| 312 | T | E | -0.3472 | |
| 313 | L | E | 0.0000 | |
| 314 | T | E | -0.7427 | |
| 315 | I | E | 0.0000 | |
| 316 | K | E | -2.3113 | |
| 317 | E | E | -2.3620 | |
| 318 | S | E | -1.3512 | |
| 319 | D | E | -1.1061 | |
| 320 | W | E | 0.0000 | |
| 321 | L | E | -0.4103 | |
| 322 | S | E | -0.5614 | |
| 323 | Q | E | -0.9197 | |
| 324 | S | E | 0.0000 | |
| 325 | M | E | -0.9537 | |
| 326 | F | E | 0.0000 | |
| 327 | T | E | 0.0000 | |
| 328 | C | E | 0.0000 | |
| 329 | R | E | -1.6020 | |
| 330 | V | E | 0.0000 | |
| 331 | D | E | -1.0838 | |
| 332 | H | E | 0.0000 | |
| 333 | R | E | -2.2697 | |
| 334 | G | E | -0.7861 | |
| 335 | L | E | 0.3423 | |
| 336 | T | E | -0.3607 | |
| 337 | F | E | -0.5011 | |
| 338 | Q | E | -1.6594 | |
| 339 | Q | E | -1.7661 | |
| 340 | N | E | -2.0537 | |
| 341 | A | E | 0.0000 | |
| 342 | S | E | -0.0845 | |
| 343 | S | E | 0.0532 | |
| 344 | M | E | 1.1108 | |
| 345 | C | E | 0.3796 | |
| 346 | V | E | 0.3630 | |
| 347 | P | E | -0.8276 | |
| 348 | D | E | -2.0582 | |
| 349 | Q | E | 0.0000 | |
| 350 | D | E | -2.8492 | |
| 351 | T | E | -1.8076 | |
| 352 | A | E | -1.4306 | |
| 353 | I | E | 0.0000 | |
| 354 | R | E | -1.4865 | |
| 355 | V | E | 0.0000 | |
| 356 | F | E | 0.7367 | |
| 357 | A | E | 0.6804 | |
| 358 | I | E | 1.0108 | |
| 359 | P | E | 0.2074 | |
| 360 | P | E | -0.2278 | |
| 361 | S | E | -0.0210 | |
| 362 | F | E | 0.0000 | |
| 363 | A | E | 0.2607 | |
| 364 | S | E | 0.3016 | |
| 365 | I | E | 0.2425 | |
| 366 | F | E | 0.0000 | |
| 367 | L | E | 1.4083 | |
| 368 | T | E | 0.2708 | |
| 369 | K | E | -0.4152 | |
| 370 | S | E | -0.6355 | |
| 371 | T | E | 0.0000 | |
| 372 | K | E | -1.0006 | |
| 373 | L | E | 0.0000 | |
| 374 | T | E | 0.0698 | |
| 375 | C | E | 0.0000 | |
| 376 | L | E | 0.7626 | |
| 377 | V | E | 0.0000 | |
| 378 | T | E | -0.2708 | |
| 379 | D | E | -0.7048 | |
| 380 | L | E | 0.0000 | |
| 381 | T | E | -0.4080 | |
| 382 | T | E | -0.3768 | |
| 383 | Y | E | -0.0580 | |
| 384 | D | E | -1.4109 | |
| 385 | S | E | -0.8217 | |
| 386 | V | E | -0.2390 | |
| 387 | T | E | -0.2346 | |
| 388 | I | E | 0.0000 | |
| 389 | S | E | -0.8498 | |
| 390 | W | E | 0.0000 | |
| 391 | T | E | -1.5625 | |
| 392 | R | E | -2.2844 | |
| 393 | Q | E | -2.9076 | |
| 394 | N | E | -2.7321 | |
| 395 | G | E | -2.2026 | |
| 396 | E | E | -2.1424 | |
| 397 | A | E | -1.3063 | |
| 398 | V | E | -1.1894 | |
| 399 | K | E | -2.0685 | |
| 400 | T | E | -1.6229 | |
| 401 | H | E | -1.8632 | |
| 402 | T | E | -1.1005 | |
| 403 | N | E | -1.2119 | |
| 404 | I | E | -0.0806 | |
| 405 | S | E | -0.7154 | |
| 406 | E | E | -1.9131 | |
| 407 | S | E | -1.3229 | |
| 408 | H | E | -1.4105 | |
| 409 | P | E | -1.2434 | |
| 410 | N | E | -1.5259 | |
| 411 | A | E | -1.0139 | |
| 412 | T | E | -0.7706 | |
| 413 | F | E | -0.3405 | |
| 414 | S | E | -0.1814 | |
| 415 | A | E | 0.0000 | |
| 416 | V | E | 0.1802 | |
| 417 | G | E | 0.0000 | |
| 418 | E | E | -1.4109 | |
| 419 | A | E | 0.0000 | |
| 420 | S | E | -1.2598 | |
| 421 | I | E | 0.0000 | |
| 422 | C | E | -1.2429 | |
| 423 | E | E | -1.5016 | |
| 424 | D | E | -2.2224 | |
| 425 | D | E | -1.7008 | |
| 426 | W | E | 0.0000 | |
| 427 | N | E | -1.7370 | |
| 428 | S | E | -1.6037 | |
| 429 | G | E | -1.6482 | |
| 430 | E | E | -2.0358 | |
| 431 | R | E | -2.4989 | |
| 432 | F | E | 0.0000 | |
| 433 | T | E | -1.3538 | |
| 434 | C | E | 0.0000 | |
| 435 | T | E | -0.9028 | |
| 436 | V | E | 0.0000 | |
| 437 | T | E | -0.4723 | |
| 438 | H | E | 0.0000 | |
| 439 | T | E | -0.9491 | |
| 440 | D | E | -1.4865 | |
| 441 | L | E | 0.0000 | |
| 442 | P | E | -0.9512 | |
| 443 | S | E | -0.8672 | |
| 444 | P | E | -1.0217 | |
| 445 | L | E | -1.3851 | |
| 446 | K | E | -1.9208 | |
| 447 | Q | E | -1.1627 | |
| 448 | T | E | -1.0491 | |
| 449 | I | E | -0.3521 | |
| 450 | S | E | -1.2908 | |
| 451 | R | E | -1.4086 | |
| 452 | P | E | -1.2816 | |
| 453 | K | E | -2.0440 | |
| 454 | G | E | -0.9230 | |
| 455 | V | E | 0.0112 | |
| 456 | A | E | 0.1447 | |
| 457 | L | E | 0.3203 | |
| 458 | H | E | -0.7533 | |
| 459 | R | E | -1.5729 | |
| 460 | P | E | 0.0000 | |
| 461 | D | E | -1.2745 | |
| 462 | V | E | 0.0000 | |
| 463 | Y | E | 0.0000 | |
| 464 | L | E | -0.5533 | |
| 465 | L | E | 0.0000 | |
| 466 | P | E | -0.6332 | |
| 467 | P | E | 0.0000 | |
| 468 | A | E | 0.0000 | |
| 469 | R | E | -2.8427 | |
| 470 | E | E | -2.9306 | |
| 471 | Q | E | 0.0000 | |
| 472 | L | E | -2.3922 | |
| 473 | N | E | -2.3069 | |
| 474 | L | E | -1.0699 | |
| 475 | R | E | -2.9926 | |
| 476 | E | E | -2.7613 | |
| 477 | S | E | -1.7355 | |
| 478 | A | E | 0.0000 | |
| 479 | T | E | 0.0000 | |
| 480 | I | E | 0.0000 | |
| 481 | T | E | 0.0000 | |
| 482 | C | E | 0.0000 | |
| 483 | L | E | 0.0000 | |
| 484 | V | E | 0.0000 | |
| 485 | T | E | -0.6118 | |
| 486 | G | E | -1.0096 | |
| 487 | F | E | 0.0000 | |
| 488 | S | E | 0.0000 | |
| 489 | P | E | -0.3569 | |
| 490 | A | E | -0.3333 | |
| 491 | D | E | -0.6498 | |
| 492 | V | E | -0.1626 | |
| 493 | F | E | 0.1831 | |
| 494 | V | E | 0.0000 | |
| 495 | Q | E | -0.1341 | |
| 496 | W | E | 0.0000 | |
| 497 | M | E | 0.0000 | |
| 498 | Q | E | -1.5356 | |
| 499 | R | E | -2.4021 | |
| 500 | G | E | -1.7993 | |
| 501 | Q | E | -1.9121 | |
| 502 | P | E | -1.0286 | |
| 503 | L | E | -1.0074 | |
| 504 | S | E | -1.1081 | |
| 505 | P | E | -1.3447 | |
| 506 | E | E | -2.5084 | |
| 507 | K | E | -1.8731 | |
| 508 | Y | E | 0.0000 | |
| 509 | V | E | -0.5341 | |
| 510 | T | E | 0.1231 | |
| 511 | S | E | 0.0000 | |
| 512 | A | E | 0.0704 | |
| 513 | P | E | -0.0978 | |
| 514 | M | E | -0.0128 | |
| 515 | P | E | -0.6652 | |
| 516 | E | E | -1.2132 | |
| 517 | P | E | -1.6169 | |
| 518 | Q | E | -1.9738 | |
| 519 | A | E | -1.1155 | |
| 520 | P | E | -1.0552 | |
| 521 | G | E | -0.9114 | |
| 522 | R | E | -1.1386 | |
| 523 | Y | E | -0.3826 | |
| 524 | F | E | 0.0000 | |
| 525 | A | E | 0.0000 | |
| 526 | H | E | 0.0000 | |
| 527 | S | E | 0.0000 | |
| 528 | I | E | 0.0000 | |
| 529 | L | E | 0.0000 | |
| 530 | T | E | -0.4089 | |
| 531 | V | E | 0.0000 | |
| 532 | S | E | -1.8907 | |
| 533 | E | E | -2.6107 | |
| 534 | E | E | -3.2321 | |
| 535 | E | E | -2.1608 | |
| 536 | W | E | 0.0000 | |
| 537 | N | E | -2.2907 | |
| 538 | T | E | -1.5657 | |
| 539 | G | E | -1.5449 | |
| 540 | E | E | -1.6061 | |
| 541 | T | E | -1.1903 | |
| 542 | Y | E | 0.0000 | |
| 543 | T | E | 0.0000 | |
| 544 | C | E | 0.0000 | |
| 545 | V | E | 0.0000 | |
| 546 | V | E | 0.0000 | |
| 547 | A | E | 0.0000 | |
| 548 | H | E | 0.0000 | |
| 549 | E | E | -1.2495 | |
| 550 | A | E | -0.7901 | |
| 551 | L | E | 0.0000 | |
| 552 | P | E | -0.6893 | |
| 553 | N | E | 0.0000 | |
| 554 | R | E | -0.7652 | |
| 555 | V | E | 0.0000 | |
| 556 | T | E | -0.5959 | |
| 557 | E | E | -0.8723 | |
| 558 | R | E | -1.1847 | |
| 559 | T | E | -0.7275 | |
| 560 | V | E | 0.0000 | |
| 561 | D | E | -1.2792 | |
| 562 | K | E | -2.1087 | |
| 563 | S | E | -1.6504 | |
| 564 | T | E | -1.4013 | |
| 565 | G | E | -2.1725 | |
| 566 | K | E | -2.1655 | |
| 567 | P | E | -0.7335 | |
| 568 | T | E | 0.3359 | |
| 569 | L | E | 1.7040 | |
| 570 | Y | E | 2.2201 | |
| 571 | N | E | 1.0423 | |
| 572 | V | E | 2.5563 | |
| 573 | S | E | 1.5687 | |
| 574 | L | E | 1.7925 | |
| 575 | V | E | 2.2422 | |
| 576 | M | E | 1.5420 | |
| 577 | S | E | 0.3400 | |
| 578 | D | E | -1.3739 | |
| 579 | T | E | -0.9093 | |
| 580 | A | E | -0.7437 | |
| 581 | G | E | -0.5733 | |
| 582 | T | E | 0.4174 | |
| 583 | C | E | 1.2327 | |
| 584 | Y | E | 1.6008 |
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 | -0.5378 | 5.7224 | View | CSV | PDB |
| 4.5 | -0.5931 | 5.7229 | View | CSV | PDB |
| 5.0 | -0.6592 | 5.7246 | View | CSV | PDB |
| 5.5 | -0.7247 | 5.7293 | View | CSV | PDB |
| 6.0 | -0.7773 | 5.7415 | View | CSV | PDB |
| 6.5 | -0.8074 | 5.7656 | View | CSV | PDB |
| 7.0 | -0.8146 | 5.8009 | View | CSV | PDB |
| 7.5 | -0.8067 | 5.8426 | View | CSV | PDB |
| 8.0 | -0.7903 | 5.8868 | View | CSV | PDB |
| 8.5 | -0.7671 | 5.9317 | View | CSV | PDB |
| 9.0 | -0.7359 | 5.9763 | 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