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Opened 4 months ago
Last modified 4 months ago
#17983 assigned defect
QScore: scores is None
| Reported by: | Owned by: | Tristan Croll | |
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | Third Party | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description (last modified by )
The following bug report has been submitted:
Platform: Linux-6.8.0-60-generic-x86_64-with-glibc2.35
ChimeraX Version: 1.9 (2024-12-11 19:11:19 UTC)
Description
Replace this text with list of actions that caused this problem to occur
Log:
Startup Messages
---
note | available bundle cache has not been initialized yet
UCSF ChimeraX version: 1.9 (2024-12-11)
© 2016-2024 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open "/home/em301/Documents/dynein d/dynein-d_ATPVi_all/8GLV_MD&tail.pdb"
> format pdb
Summary of feedback from opening /home/em301/Documents/dynein d/dynein-
d_ATPVi_all/8GLV_MD&tail.pdb
---
warnings | Start residue of secondary structure not found: HELIX 1 1 GLY0A 10 GLY0A 29 1 20
Start residue of secondary structure not found: HELIX 2 2 SER0A 40 LEU0A 44 1
5
Start residue of secondary structure not found: HELIX 3 3 PRO0A 70 GLY0A 79 1
10
Start residue of secondary structure not found: HELIX 4 4 ARG0A 86 PHE0A 90 1
5
Start residue of secondary structure not found: HELIX 5 5 ASN0A 100 HIS0A 105
1 6
32456 messages similar to the above omitted
Cannot find LINK/SSBOND residue CYS5 (359 )
Cannot find LINK/SSBOND residue CYS5 (359 )
Cannot find LINK/SSBOND residue CYS5 (359 )
Cannot find LINK/SSBOND residue CYSA (359 )
Cannot find LINK/SSBOND residue CYSA (359 )
1766 messages similar to the above omitted
Chain information for 8GLV_MD&tail.pdb #1
---
Chain | Description
La Lb | No description available
Lc | No description available
Ld | No description available
Le | No description available
Lf | No description available
> open "/home/em301/Documents/dynein d/dynein-
> d_ATPVi_tail/ATPVi_final_J2050_008_flip.mrc" format mrc
Opened ATPVi_final_J2050_008_flip.mrc as #2, grid size 560,560,560, pixel
0.873, shown at level 0.0313, step 4, values float32
> open "/home/em301/Documents/dynein d/dynein-
> d_ATPVi_tail/MDFF_ATP_tail_00_copy2-coot-1_ver2_real_space_refined_002.pdb"
Chain information for
MDFF_ATP_tail_00_copy2-coot-1_ver2_real_space_refined_002.pdb #3
---
Chain | Description
A | No description available
B | No description available
C | No description available
E | No description available
R S | No description available
> ui tool show Matchmaker
> matchmaker #!1 to #3
Computing secondary structure
[Repeated 1 time(s)] Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker MDFF_ATP_tail_00_copy2-coot-1_ver2_real_space_refined_002.pdb,
chain C (#3) with 8GLV_MD&tail.pdb, chain Lc (#1), sequence alignment score =
4828
RMSD between 327 pruned atom pairs is 1.308 angstroms; (across all 883 pairs:
5.040)
> hide #!2 models
> hide atoms
> hide surfaces
> show cartoons
> select #1/Lf
3032 atoms, 3081 bonds, 1 pseudobond, 396 residues, 2 models selected
> ui tool show "Fit in Map"
> fitmap sel inMap #2
Fit molecule 8GLV_MD&tail.pdb (#1) to map ATPVi_final_J2050_008_flip.mrc (#2)
using 3032 atoms
average map value = 0.05265, steps = 288
shifted from previous position = 4.91
rotated from previous position = 6.67 degrees
atoms outside contour = 1235, contour level = 0.03131
Position of 8GLV_MD&tail.pdb (#1) relative to ATPVi_final_J2050_008_flip.mrc
(#2) coordinates:
Matrix rotation and translation
0.22884030 -0.64636475 -0.72790434 1164.70961464
0.01561402 0.75008753 -0.66115422 639.06695805
0.97333875 0.13993322 0.18174260 -335.89497073
Axis 0.40184251 -0.85337975 0.33206264
Axis point 906.29237415 0.00000000 744.20701285
Rotation angle (degrees) 85.39216580
Shift along axis -188.87513901
> ui tool show "Model-map Q-Score"
> transparency #2 60
> style #1 stick
Changed 44339 atom styles
> color #1 byhetero
> qscore #1 toVolume #2 useGui false pointsPerShell 8 shellRadiusStep 0.100
> maxShellRadius 2.00 referenceGaussianSigma 0.60 logDetails true assignAttr
> false
WARNING: the following residues in #1 have atoms outside the bounds of volume
#2 and will be excluded from the Q-score calculation:
#1/Lc:2734-3007
Chain Number Name Qavg Qworst Qbb Qsc
-------------------------------------------------------
La 1 MET 0.086 -0.330 0.002 0.170
La 2 ILE 0.225 -0.539 0.030 0.421
La 3 PRO 0.287 -0.511 0.131 0.495
La 4 PRO 0.357 0.119 0.436 0.253
La 5 LEU 0.276 -0.041 0.288 0.263
La 6 SER 0.357 -0.185 0.207 0.655
La 7 SER -0.103 -0.572 -0.257 0.204
La 8 LEU 0.274 -0.159 0.089 0.459
La 9 VAL 0.106 -0.387 0.280 -0.127
La 10 ARG 0.090 -0.387 0.158 0.050
La 11 TYR -0.108 -0.580 -0.235 -0.045
La 12 ASP 0.033 -0.651 0.384 -0.318
La 13 ASN 0.329 0.109 0.405 0.253
La 14 PRO 0.584 0.311 0.528 0.658
La 15 VAL 0.466 -0.212 0.664 0.202
La 16 LEU 0.243 -0.363 0.153 0.332
La 17 VAL 0.151 -0.586 -0.139 0.539
La 18 SER 0.283 -0.108 0.324 0.202
La 19 THR 0.359 0.022 0.381 0.331
La 48 GLN 0.369 -0.134 0.256 0.460
La 49 THR -0.149 -0.630 -0.012 -0.331
La 50 GLU 0.175 -0.128 0.255 0.110
La 51 ASP 0.316 -0.224 0.533 0.100
La 52 ILE -0.186 -0.749 0.090 -0.462
La 53 LEU 0.167 -0.382 -0.031 0.364
La 54 ASN 0.201 -0.323 0.449 -0.048
La 55 SER 0.092 -0.612 0.403 -0.528
La 56 ILE 0.136 -0.387 0.385 -0.113
La 57 LEU -0.108 -0.529 -0.271 0.056
La 58 PRO 0.165 -0.260 0.018 0.360
La 59 PRO 0.381 0.124 0.418 0.331
La 60 ARG 0.288 -0.228 0.117 0.386
La 61 GLU 0.031 -0.315 -0.055 0.099
La 62 TRP -0.062 -0.759 -0.003 -0.085
La 63 THR 0.177 -0.184 0.034 0.368
La 64 GLU -0.227 -0.671 0.087 -0.478
La 65 ASP 0.401 -0.059 0.630 0.171
La 66 GLY 0.394 0.194 0.394 N/A
La 67 GLN 0.361 -0.172 0.238 0.458
La 68 LEU 0.213 -0.338 0.481 -0.054
La 69 TRP 0.055 -0.511 -0.279 0.188
La 70 VAL 0.108 -0.255 0.271 -0.109
La 71 GLN 0.295 -0.227 0.539 0.100
La 72 TYR 0.490 -0.251 0.489 0.490
La 73 VAL 0.152 -0.269 0.133 0.177
La 74 SER 0.224 -0.337 0.053 0.565
La 75 SER -0.142 -0.570 -0.047 -0.332
La 76 THR 0.436 0.032 0.555 0.278
La 77 PRO 0.330 -0.224 0.440 0.184
La 78 ALA 0.474 0.409 0.478 0.460
La 79 THR 0.199 0.025 0.265 0.111
La 80 ARG 0.017 -0.476 0.036 0.005
La 81 LEU 0.087 -0.380 0.213 -0.039
La 82 ASP 0.365 -0.170 0.420 0.310
La 83 VAL -0.058 -0.551 0.172 -0.366
La 84 ILE -0.062 -0.601 -0.167 0.043
La 85 ASN 0.049 -0.490 0.365 -0.268
La 86 LEU 0.074 -0.387 0.333 -0.184
La 87 GLN 0.166 -0.410 0.096 0.222
La 88 GLU 0.003 -0.518 0.023 -0.014
La 89 LYS 0.412 -0.069 0.371 0.446
La 90 LEU 0.042 -0.339 0.190 -0.107
La 91 ASP 0.085 -0.365 0.147 0.022
La 92 GLN -0.108 -0.572 -0.224 -0.016
La 93 GLN 0.300 -0.141 0.562 0.092
La 94 LEU -0.094 -0.659 0.137 -0.325
La 95 GLN -0.167 -0.760 -0.313 -0.049
La 96 GLN 0.129 -0.539 0.060 0.185
La 97 ARG 0.512 0.202 0.588 0.468
La 98 GLN -0.059 -0.570 0.234 -0.294
La 99 ALA -0.404 -0.646 -0.427 -0.316
La 100 ARG 0.051 -0.380 0.129 0.007
La 101 GLU -0.253 -0.574 -0.335 -0.187
La 102 THR 0.189 -0.096 0.107 0.298
La 103 GLY 0.204 -0.200 0.204 N/A
La 104 ILE -0.102 -0.618 0.134 -0.339
La 105 CYS -0.334 -0.686 -0.381 -0.239
La 106 PRO 0.099 -0.090 -0.033 0.273
La 107 ILE -0.367 -0.636 -0.174 -0.560
La 108 ARG -0.256 -0.603 -0.335 -0.210
La 109 GLU -0.011 -0.427 -0.151 0.100
La 110 GLU -0.038 -0.693 -0.357 0.217
La 111 LEU -0.161 -0.527 -0.015 -0.306
La 112 TYR -0.206 -0.520 -0.071 -0.274
La 113 ALA -0.071 -0.254 -0.090 0.007
La 114 GLN -0.367 -0.648 -0.414 -0.329
La 115 THR -0.272 -0.678 -0.117 -0.479
La 116 PHE -0.310 -0.806 -0.145 -0.404
La 117 ASP 0.310 0.086 0.321 0.298
La 118 GLU -0.214 -0.677 -0.395 -0.070
La 119 LEU -0.256 -0.795 -0.082 -0.429
La 120 ILE 0.101 -0.311 0.117 0.085
La 121 ARG 0.016 -0.585 -0.265 0.176
La 122 GLN -0.365 -0.748 -0.213 -0.486
La 123 VAL -0.356 -0.623 -0.420 -0.269
La 124 THR -0.180 -0.717 0.092 -0.544
La 125 ILE -0.245 -0.755 -0.431 -0.060
La 126 ASN -0.204 -0.497 0.014 -0.423
La 127 CYS 0.020 -0.412 0.131 -0.204
La 128 ALA -0.055 -0.556 0.070 -0.556
La 129 GLU 0.098 -0.360 0.423 -0.163
La 130 ARG -0.296 -0.608 -0.279 -0.305
La 131 GLY -0.421 -0.811 -0.421 N/A
La 132 LEU -0.033 -0.546 0.300 -0.367
La 133 LEU 0.015 -0.429 0.300 -0.269
La 134 LEU -0.164 -0.535 -0.002 -0.326
La 135 LEU 0.082 -0.156 0.216 -0.052
La 136 ARG -0.135 -0.622 0.208 -0.332
La 137 VAL -0.046 -0.351 0.109 -0.254
La 138 ARG -0.114 -0.734 -0.137 -0.101
La 139 ASP 0.125 -0.214 0.339 -0.090
La 140 GLU -0.348 -0.659 -0.135 -0.518
La 141 MET -0.127 -0.440 -0.147 -0.107
La 142 ARG -0.221 -0.661 -0.119 -0.279
La 143 MET -0.188 -0.619 -0.034 -0.342
La 144 THR -0.123 -0.646 0.138 -0.471
La 145 ILE -0.105 -0.497 -0.150 -0.061
La 146 ALA 0.141 -0.103 0.159 0.072
La 147 ALA 0.095 -0.136 0.152 -0.136
La 148 TYR 0.034 -0.361 -0.069 0.085
La 149 GLN -0.110 -0.616 -0.032 -0.172
La 150 THR 0.214 0.010 0.223 0.202
La 151 LEU -0.241 -0.471 -0.147 -0.336
La 152 TYR -0.157 -0.639 0.002 -0.237
La 153 GLU 0.115 -0.484 0.233 0.020
La 154 SER 0.222 -0.010 0.196 0.276
La 155 ALA -0.042 -0.240 -0.121 0.274
La 156 VAL -0.083 -0.628 -0.057 -0.118
La 157 ALA 0.167 -0.125 0.170 0.153
La 158 PHE 0.061 -0.375 0.043 0.071
La 159 GLY 0.349 -0.084 0.349 N/A
La 160 ILE -0.004 -0.765 0.269 -0.278
La 161 ARG 0.209 -0.513 0.053 0.298
La 162 LYS 0.282 -0.056 0.206 0.344
La 163 ALA -0.054 -0.590 0.080 -0.590
La 164 LEU -0.072 -0.648 0.351 -0.495
La 165 GLN 0.153 -0.486 0.034 0.248
La 166 THR -0.148 -0.648 -0.213 -0.061
La 167 GLU -0.025 -0.667 0.474 -0.425
La 168 GLN 0.370 -0.213 0.264 0.455
La 169 GLY -0.378 -0.639 -0.378 N/A
La 170 LYS -0.093 -0.713 -0.064 -0.115
La 171 SER 0.184 -0.627 0.439 -0.324
La 172 GLU 0.193 -0.832 -0.175 0.487
La 173 MET 0.100 -0.729 -0.210 0.410
La 174 GLU 0.076 -0.296 0.264 -0.074
La 175 SER 0.237 -0.435 0.192 0.326
La 176 ARG -0.225 -0.624 -0.248 -0.211
La 177 ILE -0.233 -0.560 -0.156 -0.310
La 178 THR 0.068 -0.543 0.351 -0.309
La 179 GLN -0.178 -0.739 0.017 -0.334
La 180 LEU 0.048 -0.343 -0.191 0.288
La 181 GLU -0.185 -0.662 0.123 -0.432
La 182 GLY 0.376 -0.074 0.376 N/A
La 183 ASP -0.430 -0.823 -0.169 -0.692
La 184 VAL -0.200 -0.704 -0.002 -0.465
La 185 LYS 0.118 -0.390 0.364 -0.079
La 186 ASP 0.344 -0.075 0.317 0.371
La 187 LEU -0.361 -0.597 -0.309 -0.412
La 188 GLU -0.008 -0.435 0.079 -0.078
La 189 ARG 0.077 -0.475 0.254 -0.024
La 190 GLN 0.219 -0.258 0.125 0.294
La 191 VAL -0.151 -0.600 -0.238 -0.035
La 192 GLN 0.212 -0.481 0.478 -0.002
La 193 GLU 0.323 -0.321 0.170 0.445
La 194 TRP -0.109 -0.666 -0.524 0.057
La 195 LYS 0.235 -0.269 0.284 0.196
La 196 PHE 0.176 -0.194 0.080 0.232
La 197 LYS -0.061 -0.560 0.061 -0.159
La 198 CYS 0.033 -0.540 -0.238 0.576
La 199 GLU -0.235 -0.816 -0.358 -0.137
La 200 ALA 0.297 -0.106 0.281 0.360
La 201 ILE 0.235 -0.380 0.011 0.459
La 202 GLU -0.286 -0.728 -0.591 -0.042
La 203 LYS 0.111 -0.421 0.213 0.029
La 204 ARG 0.257 -0.420 0.305 0.229
La 205 GLU -0.004 -0.596 -0.338 0.262
La 206 SER 0.500 0.148 0.597 0.307
La 207 GLU 0.089 -0.180 0.241 -0.032
La 208 ARG 0.036 -0.338 0.360 -0.149
La 209 ARG 0.417 -0.050 0.471 0.385
La 210 GLU 0.014 -0.304 0.319 -0.231
La 211 VAL 0.031 -0.453 -0.118 0.229
La 212 GLU -0.031 -0.503 -0.114 0.036
La 213 ALA -0.444 -0.777 -0.552 -0.010
La 214 LYS -0.304 -0.767 -0.226 -0.367
La 215 LYS 0.265 -0.175 0.368 0.183
La 216 HIS 0.067 -0.513 0.404 -0.157
La 217 LYS -0.158 -0.711 -0.395 0.031
La 218 ASP -0.147 -0.482 -0.396 0.103
La 219 GLU -0.087 -0.602 -0.238 0.034
La 220 VAL -0.167 -0.611 0.020 -0.417
La 221 ALA 0.283 -0.038 0.333 0.084
La 222 TYR 0.302 -0.238 0.235 0.336
La 223 LEU 0.277 -0.388 0.368 0.186
La 224 GLU -0.136 -0.629 0.184 -0.392
La 225 ASN 0.241 -0.162 0.195 0.287
La 226 TYR -0.008 -0.632 -0.189 0.083
La 227 ALA -0.141 -0.553 -0.213 0.151
La 228 LYS 0.083 -0.540 0.190 -0.003
La 229 GLN -0.092 -0.307 -0.114 -0.074
La 230 LEU 0.161 -0.316 0.233 0.090
La 231 LYS -0.263 -0.575 -0.400 -0.154
La 232 GLN 0.386 -0.838 0.045 0.658
La 233 GLN -0.126 -0.849 -0.432 0.119
La 234 LEU -0.238 -0.708 -0.169 -0.307
La 235 GLU -0.192 -0.636 -0.316 -0.092
La 236 THR 0.011 -0.528 0.045 -0.035
La 237 PHE 0.050 -0.637 -0.156 0.168
La 238 LEU 0.088 -0.599 0.607 -0.430
La 239 VAL -0.235 -0.626 -0.059 -0.470
La 240 PRO -0.350 -0.667 -0.300 -0.416
Lb 1 MET 0.199 -0.706 0.418 -0.021
Lb 2 ILE 0.295 -0.394 0.431 0.159
Lb 3 PRO -0.108 -0.615 -0.269 0.107
Lb 4 PRO -0.291 -0.594 -0.422 -0.116
Lb 5 LEU -0.274 -0.703 -0.151 -0.396
Lb 6 SER 0.005 -0.716 0.337 -0.658
Lb 7 SER 0.402 0.248 0.448 0.308
Lb 8 LEU 0.269 -0.141 0.199 0.339
Lb 9 VAL -0.155 -0.552 -0.098 -0.230
Lb 10 ARG -0.075 -0.599 -0.174 -0.018
Lb 11 TYR 0.204 -0.320 -0.189 0.400
Lb 12 ASP 0.065 -0.364 -0.127 0.257
Lb 13 ASN -0.145 -0.388 0.029 -0.320
Lb 14 PRO -0.159 -0.411 -0.168 -0.148
Lb 15 VAL -0.116 -0.554 -0.120 -0.110
Lb 16 LEU -0.177 -0.346 -0.218 -0.136
Lb 17 VAL 0.230 -0.316 0.216 0.249
Lb 18 SER 0.192 -0.214 0.275 0.026
Lb 19 THR -0.181 -0.534 -0.112 -0.272
Lb 48 GLN -0.148 -0.758 0.153 -0.389
Lb 49 THR 0.037 -0.469 -0.046 0.148
Lb 50 GLU 0.140 -0.454 0.258 0.045
Lb 51 ASP 0.458 -0.249 0.567 0.350
Lb 52 ILE -0.293 -0.722 -0.375 -0.211
Lb 53 LEU 0.111 -0.354 0.155 0.068
Lb 54 ASN 0.053 -0.412 0.226 -0.120
Lb 55 SER 0.171 -0.227 0.134 0.245
Lb 56 ILE 0.152 -0.327 0.189 0.115
Lb 57 LEU -0.116 -0.626 -0.025 -0.207
Lb 58 PRO -0.352 -0.637 -0.236 -0.506
Lb 59 PRO -0.107 -0.757 0.205 -0.523
Lb 60 ARG 0.342 -0.276 0.370 0.326
Lb 61 GLU 0.235 0.091 0.144 0.307
Lb 62 TRP 0.006 -0.728 0.178 -0.063
Lb 63 THR -0.061 -0.345 0.011 -0.158
Lb 64 GLU 0.360 -0.557 0.487 0.259
Lb 65 ASP 0.057 -0.485 -0.265 0.379
Lb 66 GLY 0.223 -0.255 0.223 N/A
Lb 67 GLN 0.157 -0.139 0.319 0.027
Lb 68 LEU -0.156 -0.620 0.094 -0.406
Lb 69 TRP 0.141 -0.546 -0.099 0.237
Lb 70 VAL -0.205 -0.633 -0.313 -0.060
Lb 71 GLN 0.319 -0.144 0.246 0.378
Lb 72 TYR -0.076 -0.800 0.345 -0.287
Lb 73 VAL -0.089 -0.650 0.287 -0.590
Lb 74 SER 0.323 -0.045 0.234 0.501
Lb 75 SER 0.163 -0.243 0.304 -0.120
Lb 76 THR 0.132 -0.390 0.171 0.080
Lb 77 PRO 0.414 0.218 0.253 0.628
Lb 78 ALA -0.267 -0.675 -0.194 -0.559
Lb 79 THR -0.341 -0.558 -0.208 -0.518
Lb 80 ARG 0.197 -0.245 0.367 0.100
Lb 81 LEU -0.034 -0.641 -0.276 0.207
Lb 82 ASP 0.357 0.077 0.404 0.310
Lb 83 VAL -0.233 -0.711 -0.108 -0.399
Lb 84 ILE 0.071 -0.329 0.130 0.011
Lb 85 ASN 0.260 0.009 0.399 0.122
Lb 86 LEU 0.231 -0.229 0.131 0.331
Lb 87 GLN 0.013 -0.387 0.020 0.007
Lb 88 GLU -0.112 -0.383 -0.103 -0.119
Lb 89 LYS 0.190 -0.372 0.236 0.154
Lb 90 LEU -0.125 -0.779 0.202 -0.451
Lb 91 ASP 0.214 -0.130 0.068 0.360
Lb 92 GLN -0.006 -0.508 0.199 -0.170
Lb 93 GLN 0.210 -0.136 0.080 0.314
Lb 94 LEU 0.070 -0.220 0.107 0.033
Lb 95 GLN 0.100 -0.407 0.201 0.020
Lb 96 GLN -0.132 -0.606 0.013 -0.249
Lb 97 ARG -0.016 -0.440 -0.115 0.040
Lb 98 GLN 0.006 -0.563 -0.216 0.183
Lb 99 ALA 0.203 -0.046 0.203 0.203
Lb 100 ARG -0.053 -0.321 -0.030 -0.067
Lb 101 GLU -0.077 -0.667 0.053 -0.180
Lb 102 THR 0.252 -0.166 0.180 0.347
Lb 103 GLY 0.232 0.008 0.232 N/A
Lb 104 ILE -0.265 -0.619 -0.201 -0.329
Lb 105 CYS 0.139 -0.444 0.046 0.324
Lb 106 PRO 0.032 -0.489 0.385 -0.438
Lb 107 ILE -0.002 -0.487 0.368 -0.372
Lb 108 ARG -0.071 -0.514 0.097 -0.167
Lb 109 GLU -0.174 -0.764 0.366 -0.606
Lb 110 GLU 0.012 -0.630 0.469 -0.353
Lb 111 LEU 0.063 -0.538 0.403 -0.278
Lb 112 TYR -0.193 -0.486 -0.054 -0.263
Lb 113 ALA 0.138 -0.210 0.225 -0.210
Lb 114 GLN -0.033 -0.526 0.255 -0.262
Lb 115 THR -0.005 -0.559 0.322 -0.440
Lb 116 PHE -0.136 -0.706 0.207 -0.333
Lb 117 ASP 0.283 -0.154 0.322 0.244
Lb 118 GLU -0.003 -0.583 -0.043 0.029
Lb 119 LEU -0.016 -0.354 0.017 -0.050
Lb 120 ILE 0.070 -0.383 0.344 -0.204
Lb 121 ARG -0.072 -0.641 0.085 -0.162
Lb 122 GLN 0.032 -0.326 0.172 -0.080
Lb 123 VAL -0.438 -0.585 -0.398 -0.492
Lb 124 THR -0.099 -0.434 -0.041 -0.175
Lb 125 ILE -0.151 -0.480 0.055 -0.356
Lb 126 ASN -0.151 -0.480 0.047 -0.349
Lb 127 CYS -0.443 -0.687 -0.439 -0.450
Lb 128 ALA -0.529 -0.744 -0.475 -0.744
Lb 129 GLU 0.084 -0.419 0.032 0.124
Lb 130 ARG 0.029 -0.200 0.137 -0.032
Lb 131 GLY 0.443 0.378 0.443 N/A
Lb 132 LEU -0.070 -0.524 -0.157 0.017
Lb 133 LEU -0.252 -0.667 -0.092 -0.412
Lb 134 LEU -0.025 -0.505 0.216 -0.266
Lb 135 LEU -0.037 -0.656 0.113 -0.188
Lb 136 ARG -0.292 -0.777 -0.178 -0.357
Lb 137 VAL -0.031 -0.589 0.144 -0.266
Lb 138 ARG -0.258 -0.766 0.220 -0.531
Lb 139 ASP -0.063 -0.405 -0.052 -0.075
Lb 140 GLU -0.187 -0.714 -0.159 -0.210
Lb 141 MET -0.012 -0.340 0.267 -0.291
Lb 142 ARG 0.062 -0.531 0.195 -0.014
Lb 143 MET -0.321 -0.590 -0.313 -0.329
Lb 144 THR -0.213 -0.711 -0.212 -0.214
Lb 145 ILE 0.038 -0.209 -0.038 0.114
Lb 146 ALA -0.268 -0.589 -0.255 -0.316
Lb 147 ALA -0.122 -0.565 -0.011 -0.565
Lb 148 TYR 0.125 -0.355 0.278 0.048
Lb 149 GLN 0.253 -0.127 0.282 0.230
Lb 150 THR -0.048 -0.556 0.115 -0.266
Lb 151 LEU -0.304 -0.752 -0.242 -0.365
Lb 152 TYR -0.117 -0.704 0.323 -0.337
Lb 153 GLU -0.150 -0.491 -0.167 -0.137
Lb 154 SER -0.057 -0.363 -0.056 -0.059
Lb 155 ALA 0.066 -0.495 0.207 -0.495
Lb 156 VAL 0.038 -0.681 0.190 -0.163
Lb 157 ALA 0.177 -0.121 0.153 0.272
Lb 158 PHE -0.431 -0.771 -0.343 -0.482
Lb 159 GLY 0.116 -0.291 0.116 N/A
Lb 160 ILE -0.122 -0.675 0.101 -0.344
Lb 161 ARG -0.195 -0.613 -0.288 -0.142
Lb 162 LYS -0.202 -0.648 0.047 -0.401
Lb 163 ALA 0.076 -0.523 0.021 0.298
Lb 164 LEU -0.357 -0.758 -0.377 -0.336
Lb 165 GLN -0.277 -0.482 -0.220 -0.323
Lb 166 THR 0.135 -0.265 0.072 0.218
Lb 167 GLU -0.066 -0.543 0.101 -0.199
Lb 168 GLN -0.143 -0.690 -0.216 -0.084
Lb 169 GLY -0.012 -0.483 -0.012 N/A
Lb 170 LYS 0.236 -0.613 0.405 0.101
Lb 171 SER -0.333 -0.651 -0.223 -0.553
Lb 172 GLU -0.127 -0.363 -0.098 -0.150
Lb 173 MET -0.071 -0.572 0.187 -0.329
Lb 174 GLU 0.077 -0.460 -0.207 0.304
Lb 175 SER -0.272 -0.580 -0.207 -0.401
Lb 176 ARG 0.082 -0.524 0.306 -0.046
Lb 177 ILE -0.033 -0.345 -0.155 0.088
Lb 178 THR 0.086 -0.285 0.230 -0.105
Lb 179 GLN -0.287 -0.751 -0.172 -0.379
Lb 180 LEU -0.004 -0.516 -0.142 0.134
Lb 181 GLU 0.032 -0.597 -0.043 0.092
Lb 182 GLY 0.186 0.090 0.186 N/A
Lb 183 ASP 0.051 -0.315 0.014 0.089
Lb 184 VAL 0.053 -0.250 0.053 0.053
Lb 185 LYS 0.113 -0.494 -0.227 0.385
Lb 186 ASP 0.311 -0.143 0.433 0.188
Lb 187 LEU 0.381 -0.363 0.265 0.497
Lb 188 GLU -0.065 -0.375 0.068 -0.171
Lb 189 ARG 0.132 -0.522 0.072 0.166
Lb 190 GLN 0.008 -0.601 -0.280 0.239
Lb 191 VAL 0.031 -0.424 0.123 -0.090
Lb 192 GLN -0.029 -0.535 0.050 -0.092
Lb 193 GLU 0.201 -0.255 0.073 0.303
Lb 194 TRP 0.096 -0.545 0.150 0.075
Lb 195 LYS 0.022 -0.446 -0.255 0.244
Lb 196 PHE -0.033 -0.686 0.162 -0.144
Lb 197 LYS -0.091 -0.767 0.244 -0.359
Lb 198 CYS 0.012 -0.410 -0.093 0.221
Lb 199 GLU 0.127 -0.259 0.144 0.113
Lb 200 ALA -0.184 -0.650 -0.175 -0.219
Lb 201 ILE 0.310 0.009 0.261 0.360
Lb 202 GLU 0.152 -0.391 0.017 0.261
Lb 203 LYS -0.278 -0.643 -0.455 -0.137
Lb 204 ARG -0.031 -0.634 -0.195 0.063
Lb 205 GLU 0.019 -0.550 0.222 -0.144
Lb 206 SER -0.207 -0.443 -0.162 -0.298
Lb 207 GLU -0.215 -0.651 -0.189 -0.236
Lb 208 ARG -0.181 -0.713 -0.184 -0.179
Lb 209 ARG 0.002 -0.542 -0.036 0.023
Lb 210 GLU 0.215 -0.166 0.390 0.075
Lb 211 VAL 0.005 -0.308 0.150 -0.189
Lb 212 GLU 0.001 -0.491 -0.349 0.281
Lb 213 ALA -0.306 -0.771 -0.319 -0.251
Lb 214 LYS -0.009 -0.361 0.020 -0.033
Lb 215 LYS 0.207 -0.335 -0.035 0.400
Lb 216 HIS 0.108 -0.274 0.071 0.133
Lb 217 LYS -0.107 -0.584 -0.089 -0.122
Lb 218 ASP -0.025 -0.444 -0.017 -0.034
Lb 219 GLU 0.258 -0.444 0.590 -0.008
Lb 220 VAL -0.294 -0.544 -0.510 -0.005
Lb 221 ALA 0.346 -0.280 0.502 -0.280
Lb 222 TYR -0.092 -0.725 -0.057 -0.109
Lb 223 LEU -0.191 -0.616 -0.190 -0.193
Lb 224 GLU -0.153 -0.602 -0.022 -0.257
Lb 225 ASN 0.192 -0.640 0.563 -0.179
Lb 226 TYR -0.263 -0.667 -0.209 -0.289
Lb 227 ALA -0.288 -0.603 -0.313 -0.187
Lb 228 LYS -0.124 -0.723 -0.263 -0.013
Lb 229 GLN 0.317 -0.204 0.441 0.218
Lb 230 LEU -0.382 -0.657 -0.307 -0.457
Lb 231 LYS -0.134 -0.457 -0.170 -0.105
Lb 232 GLN -0.257 -0.555 -0.343 -0.188
Lb 233 GLN 0.099 -0.303 0.074 0.119
Lb 234 LEU 0.521 0.212 0.654 0.389
Lb 235 GLU 0.024 -0.375 0.304 -0.200
Lb 236 THR -0.039 -0.402 -0.224 0.208
Lb 237 PHE -0.151 -0.610 -0.423 0.004
Lb 238 LEU -0.411 -0.588 -0.452 -0.370
Lb 239 VAL 0.072 -0.285 -0.140 0.355
Lb 240 PRO 0.060 -0.443 0.034 0.096
Lc 65 VAL 0.242 -0.315 0.032 0.522
Lc 66 THR -0.143 -0.522 -0.392 0.189
Lc 67 TYR -0.086 -0.581 -0.326 0.035
Lc 68 SER 0.135 0.014 0.179 0.048
Lc 69 HIS -0.011 -0.536 -0.174 0.098
Lc 70 LEU -0.128 -0.525 -0.167 -0.090
Lc 71 LEU 0.235 -0.211 0.499 -0.028
Lc 72 PRO 0.117 -0.320 0.064 0.187
Lc 73 LYS -0.324 -0.646 -0.433 -0.236
Lc 74 VAL 0.417 -0.067 0.554 0.234
Lc 75 MET 0.220 -0.048 0.371 0.068
Lc 76 ALA -0.322 -0.832 -0.383 -0.078
Lc 77 PRO -0.125 -0.611 -0.401 0.242
Lc 78 PHE 0.302 -0.362 0.237 0.340
Lc 79 GLU 0.198 -0.439 0.134 0.250
Lc 80 THR 0.354 -0.045 0.241 0.506
Lc 81 ARG 0.006 -0.378 0.435 -0.240
Lc 82 SER 0.414 0.124 0.443 0.355
Lc 83 GLY 0.261 0.153 0.261 N/A
Lc 84 GLU 0.260 -0.084 0.309 0.220
Lc 85 THR 0.553 0.329 0.627 0.455
Lc 86 PRO 0.144 -0.122 0.177 0.099
Lc 87 ARG -0.116 -0.562 -0.334 0.008
Lc 88 LYS -0.184 -0.538 -0.243 -0.137
Lc 89 VAL 0.122 -0.212 0.015 0.264
Lc 90 LEU 0.065 -0.604 0.053 0.077
Lc 91 ILE -0.016 -0.271 -0.012 -0.021
Lc 92 GLN -0.197 -0.688 0.011 -0.363
Lc 93 ARG 0.203 -0.289 0.022 0.307
Lc 94 ARG 0.313 -0.149 0.049 0.464
Lc 95 ARG 0.048 -0.266 -0.010 0.081
Lc 96 ARG 0.118 -0.600 0.094 0.132
Lc 97 GLN -0.079 -0.436 -0.226 0.039
Lc 98 PHE -0.090 -0.317 -0.126 -0.069
Lc 99 ALA 0.410 0.132 0.394 0.472
Lc 100 ALA 0.033 -0.407 0.029 0.051
Lc 101 GLN -0.368 -0.645 -0.558 -0.217
Lc 102 ASP -0.139 -0.655 -0.298 0.021
Lc 103 VAL -0.102 -0.318 -0.102 -0.101
Lc 104 ALA -0.401 -0.699 -0.390 -0.445
Lc 105 GLU 0.195 -0.376 0.053 0.309
Lc 106 LEU -0.087 -0.433 -0.056 -0.118
Lc 107 VAL -0.009 -0.252 0.048 -0.085
Lc 108 HIS 0.111 -0.246 0.204 0.049
Lc 109 GLY 0.544 0.344 0.544 N/A
Lc 110 GLU 0.017 -0.461 -0.059 0.078
Lc 111 GLY -0.120 -0.510 -0.120 N/A
Lc 112 VAL -0.011 -0.500 0.092 -0.148
Lc 113 ALA -0.290 -0.464 -0.265 -0.387
Lc 114 GLN 0.119 -0.463 0.430 -0.130
Lc 115 PRO -0.051 -0.255 0.026 -0.153
Lc 116 PRO 0.204 -0.202 0.321 0.049
Lc 117 GLN 0.208 -0.130 0.094 0.300
Lc 118 GLU 0.043 -0.382 0.147 -0.039
Lc 119 LEU -0.005 -0.618 0.187 -0.198
Lc 120 PHE -0.005 -0.501 0.286 -0.171
Lc 121 PRO 0.283 0.084 0.349 0.194
Lc 122 LEU 0.416 0.081 0.428 0.405
Lc 123 GLU -0.051 -0.816 0.425 -0.432
Lc 124 VAL 0.561 0.287 0.586 0.528
Lc 125 PHE -0.100 -0.695 -0.327 0.030
Lc 126 ASP -0.115 -0.540 -0.178 -0.052
Lc 127 ASN 0.334 -0.217 0.064 0.604
Lc 128 THR 0.107 -0.607 0.074 0.151
Lc 129 ASN 0.190 -0.449 0.018 0.363
Lc 130 PHE 0.096 -0.351 0.055 0.120
Lc 131 GLU 0.018 -0.777 0.283 -0.194
Lc 132 SER 0.141 -0.144 -0.021 0.466
Lc 133 ARG -0.095 -0.660 0.370 -0.361
Lc 134 MET 0.440 0.113 0.524 0.356
Lc 135 HIS -0.356 -0.755 -0.312 -0.386
Lc 136 PRO -0.018 -0.428 0.068 -0.133
Lc 137 GLU 0.399 0.169 0.530 0.294
Lc 138 TRP 0.124 -0.596 0.103 0.133
Lc 139 VAL 0.049 -0.276 -0.006 0.122
Lc 140 PRO -0.305 -0.714 -0.371 -0.215
Lc 141 ARG 0.319 -0.217 0.330 0.312
Lc 142 ARG 0.222 -0.674 -0.116 0.415
Lc 143 PRO -0.148 -0.563 -0.166 -0.123
Lc 144 GLY 0.099 -0.321 0.099 N/A
Lc 145 VAL -0.204 -0.482 -0.369 0.016
Lc 146 PRO 0.153 -0.032 0.251 0.023
Lc 147 LEU -0.085 -0.305 -0.121 -0.049
Lc 148 THR 0.099 -0.472 0.277 -0.139
Lc 149 SER -0.244 -0.500 -0.254 -0.223
Lc 150 GLY 0.209 0.008 0.209 N/A
Lc 151 ARG 0.174 -0.109 0.112 0.210
Lc 152 ALA -0.239 -0.569 -0.270 -0.116
Lc 153 LEU 0.346 -0.144 0.450 0.241
Lc 154 VAL 0.123 -0.450 0.340 -0.167
Lc 155 ALA 0.256 -0.009 0.225 0.384
Lc 156 HIS 0.141 -0.193 0.057 0.198
Lc 157 ASP 0.165 -0.343 0.151 0.179
Lc 158 ASP 0.147 -0.284 0.314 -0.019
Lc 159 GLY 0.221 0.109 0.221 N/A
Lc 160 THR -0.411 -0.751 -0.317 -0.536
Lc 161 GLY 0.388 0.156 0.388 N/A
Lc 162 HIS 0.003 -0.412 0.306 -0.198
Lc 163 SER 0.426 0.108 0.431 0.416
Lc 164 VAL -0.076 -0.536 0.029 -0.217
Lc 165 VAL 0.192 -0.032 0.250 0.113
Lc 166 ASP -0.116 -0.624 -0.263 0.032
Lc 167 TRP 0.177 -0.228 -0.034 0.262
Lc 168 VAL -0.035 -0.555 0.026 -0.117
Lc 169 PRO -0.146 -0.696 -0.181 -0.099
Lc 170 CYS -0.180 -0.426 -0.160 -0.219
Lc 171 THR 0.006 -0.276 0.154 -0.192
Lc 172 VAL -0.301 -0.785 -0.140 -0.516
Lc 173 VAL 0.099 -0.430 0.060 0.151
Lc 174 ASP -0.157 -0.353 -0.189 -0.126
Lc 175 PHE 0.366 -0.023 0.285 0.413
Lc 176 ASP 0.297 -0.042 0.389 0.204
Lc 177 GLU 0.367 0.045 0.390 0.348
Lc 178 ALA 0.368 0.118 0.303 0.630
Lc 179 THR 0.373 0.069 0.482 0.227
Lc 180 ASN 0.447 0.204 0.465 0.430
Lc 181 SER 0.031 -0.592 -0.118 0.329
Lc 182 TYR 0.241 -0.641 -0.181 0.452
Lc 183 GLY -0.544 -0.642 -0.544 N/A
Lc 184 VAL -0.248 -0.428 -0.342 -0.121
Lc 185 THR -0.155 -0.340 -0.240 -0.042
Lc 186 LEU 0.166 -0.272 0.066 0.265
Lc 187 HIS 0.072 -0.514 0.227 -0.032
Lc 188 GLN 0.041 -0.570 -0.017 0.087
Lc 189 LEU 0.076 -0.504 0.327 -0.175
Lc 190 ALA 0.060 -0.428 0.182 -0.428
Lc 191 HIS 0.002 -0.636 0.282 -0.184
Lc 192 SER -0.146 -0.688 -0.347 0.257
Lc 193 GLY 0.058 -0.128 0.058 N/A
Lc 194 ASN 0.152 -0.277 0.137 0.167
Lc 195 GLY -0.280 -0.600 -0.280 N/A
Lc 196 SER -0.475 -0.685 -0.496 -0.433
Lc 197 ALA -0.493 -0.609 -0.464 -0.609
Lc 198 GLU 0.245 -0.104 0.372 0.143
Lc 199 ALA -0.398 -0.718 -0.390 -0.428
Lc 200 ASP 0.006 -0.294 -0.025 0.038
Lc 201 ALA 0.312 0.118 0.224 0.661
Lc 202 GLU 0.377 -0.057 0.286 0.450
Lc 203 ASP 0.319 -0.202 0.248 0.389
Lc 204 MET 0.157 -0.056 0.207 0.107
Lc 205 HIS -0.005 -0.249 -0.051 0.025
Lc 206 VAL -0.002 -0.652 -0.018 0.019
Lc 207 MET 0.233 -0.392 0.327 0.138
Lc 208 TRP 0.063 -0.498 -0.123 0.138
Lc 209 LEU 0.366 -0.194 0.372 0.361
Lc 210 PRO 0.405 0.116 0.472 0.316
Lc 211 ARG 0.387 0.010 0.584 0.275
Lc 212 VAL 0.506 0.255 0.561 0.434
Lc 213 LYS 0.180 -0.217 0.041 0.291
Lc 214 VAL -0.169 -0.712 0.199 -0.660
Lc 215 CYS 0.106 -0.390 -0.104 0.527
Lc 216 PHE 0.174 -0.446 0.410 0.040
Lc 217 SER -0.052 -0.505 -0.024 -0.106
Lc 218 ALA 0.027 -0.333 0.117 -0.333
Lc 219 GLU -0.028 -0.671 -0.347 0.226
Lc 220 ASP 0.155 -0.599 -0.248 0.557
Lc 221 PRO -0.131 -0.383 -0.186 -0.058
Lc 222 ALA 0.284 -0.096 0.255 0.400
Lc 223 GLN -0.101 -0.472 0.170 -0.317
Lc 224 PHE -0.142 -0.537 0.249 -0.366
Lc 225 ALA 0.067 -0.151 0.085 -0.007
Lc 226 ARG -0.100 -0.665 0.160 -0.248
Lc 227 ARG -0.003 -0.568 0.190 -0.114
Lc 228 HIS 0.101 -0.604 0.320 -0.045
Lc 229 ALA 0.233 -0.012 0.268 0.091
Lc 230 GLU 0.041 -0.513 0.214 -0.099
Lc 231 ALA 0.033 -0.266 0.045 -0.016
Lc 232 HIS 0.058 -0.326 0.274 -0.086
Lc 233 ARG -0.027 -0.669 0.422 -0.283
Lc 234 SER -0.088 -0.618 0.097 -0.456
Lc 235 ARG 0.142 -0.353 0.256 0.077
Lc 236 ALA 0.245 -0.064 0.186 0.479
Lc 237 ARG 0.231 -0.391 0.466 0.096
Lc 238 ALA 0.106 -0.283 0.203 -0.283
Lc 239 GLU 0.110 -0.636 0.568 -0.257
Lc 240 SER 0.451 -0.123 0.624 0.104
Lc 241 LEU -0.048 -0.524 -0.139 0.044
Lc 242 LEU 0.101 -0.384 0.079 0.124
Lc 243 ARG 0.059 -0.632 0.505 -0.196
Lc 244 TYR 0.223 -0.289 0.512 0.078
Lc 245 ASN 0.240 -0.376 0.567 -0.086
Lc 246 LEU 0.178 -0.270 0.398 -0.042
Lc 247 TYR 0.282 -0.377 0.190 0.328
Lc 248 VAL 0.161 -0.575 0.397 -0.153
Lc 249 ASP 0.034 -0.290 0.172 -0.104
Lc 250 SER 0.200 -0.206 0.299 0.001
Lc 251 MET 0.169 -0.414 0.195 0.143
Lc 252 PRO 0.333 -0.332 0.236 0.461
Lc 253 THR 0.115 -0.637 -0.043 0.325
Lc 254 ASP 0.010 -0.742 -0.031 0.050
Lc 255 ASP -0.184 -0.506 -0.098 -0.270
Lc 256 ILE 0.070 -0.489 0.172 -0.033
Lc 257 PRO 0.238 0.025 0.267 0.198
Lc 258 PRO 0.214 -0.326 -0.048 0.562
Lc 259 LEU -0.021 -0.576 -0.028 -0.014
Lc 260 THR 0.148 -0.266 0.251 0.011
Lc 261 ASN 0.064 -0.487 0.129 -0.001
Lc 262 GLU -0.125 -0.713 -0.345 0.051
Lc 263 GLN -0.056 -0.545 0.091 -0.174
Lc 264 VAL 0.246 -0.318 0.312 0.158
Lc 265 ASN 0.023 -0.531 -0.041 0.087
Lc 266 ARG 0.285 0.022 0.243 0.309
Lc 267 MET 0.148 -0.202 0.156 0.140
Lc 268 LEU -0.006 -0.602 0.071 -0.083
Lc 269 SER 0.052 -0.203 -0.020 0.197
Lc 270 PHE -0.038 -0.786 0.020 -0.071
Lc 271 ALA 0.245 0.074 0.286 0.083
Lc 272 LEU 0.089 -0.321 0.066 0.112
Lc 273 ASN -0.355 -0.624 -0.459 -0.251
Lc 274 SER -0.366 -0.788 -0.260 -0.578
Lc 275 LYS 0.005 -0.413 0.023 -0.010
Lc 276 LYS -0.184 -0.667 -0.101 -0.251
Lc 277 LEU 0.147 -0.671 -0.051 0.346
Lc 278 LYS 0.101 -0.755 0.271 -0.035
Lc 279 ASP -0.191 -0.551 -0.038 -0.343
Lc 280 LYS 0.140 -0.624 0.265 0.040
Lc 281 LEU -0.223 -0.630 -0.068 -0.377
Lc 282 MET 0.005 -0.750 0.286 -0.275
Lc 283 ASP -0.000 -0.442 -0.095 0.094
Lc 284 THR -0.220 -0.490 -0.187 -0.265
Lc 285 SER -0.078 -0.706 -0.203 0.172
Lc 286 ALA 0.009 -0.401 -0.057 0.271
Lc 287 LEU 0.068 -0.532 0.329 -0.193
Lc 288 ILE -0.150 -0.525 0.065 -0.364
Lc 289 ALA -0.234 -0.498 -0.344 0.208
Lc 290 GLU 0.240 -0.363 -0.091 0.504
Lc 291 VAL 0.219 -0.123 0.123 0.347
Lc 292 ASN -0.086 -0.398 -0.231 0.060
Lc 293 ILE 0.136 -0.465 -0.068 0.341
Lc 294 GLU 0.281 -0.460 -0.020 0.522
Lc 295 TYR 0.170 -0.401 0.287 0.112
Lc 296 ALA 0.179 -0.153 0.145 0.317
Lc 297 ARG 0.316 -0.575 0.068 0.458
Lc 298 THR 0.407 0.091 0.385 0.436
Lc 299 MET 0.374 -0.167 0.509 0.240
Lc 300 ASN 0.330 -0.076 0.553 0.107
Lc 301 LYS 0.173 -0.524 0.335 0.044
Lc 302 VAL 0.550 -0.081 0.415 0.731
Lc 303 VAL 0.621 0.376 0.601 0.648
Lc 304 PHE 0.320 -0.355 0.271 0.348
Lc 305 ASP 0.401 0.014 0.489 0.313
Lc 306 THR 0.549 0.122 0.642 0.426
Lc 307 ALA 0.519 0.235 0.528 0.486
Lc 308 LEU 0.459 0.034 0.430 0.489
Lc 309 THR 0.496 -0.417 0.741 0.170
Lc 310 ALA 0.357 0.128 0.415 0.128
Lc 311 ALA 0.352 -0.059 0.454 -0.059
Lc 312 ARG 0.118 -0.595 0.402 -0.044
Lc 313 ALA 0.448 0.154 0.473 0.348
Lc 314 GLU -0.063 -0.701 0.260 -0.321
Lc 315 ARG 0.279 -0.295 0.552 0.123
Lc 316 GLU 0.251 -0.333 0.456 0.087
Lc 317 ALA 0.292 -0.167 0.271 0.379
Lc 318 ASP 0.314 -0.324 0.419 0.210
Lc 319 ALA 0.302 -0.274 0.446 -0.274
Lc 320 GLU 0.294 -0.252 0.520 0.114
Lc 321 ALA 0.096 -0.136 0.148 -0.114
Lc 322 ALA -0.097 -0.193 -0.118 -0.011
Lc 323 ALA 0.011 -0.584 0.160 -0.584
Lc 376 PRO -0.317 -0.527 -0.219 -0.447
Lc 377 VAL 0.005 -0.551 -0.332 0.454
Lc 378 GLU 0.173 -0.376 0.229 0.128
Lc 379 GLY 0.082 -0.123 0.082 N/A
Lc 380 GLY -0.105 -0.554 -0.105 N/A
Lc 381 ALA -0.127 -0.508 -0.180 0.087
Lc 382 ASP 0.178 -0.198 0.067 0.288
Lc 383 PHE -0.125 -0.692 -0.213 -0.075
Lc 384 PRO 0.079 -0.291 -0.123 0.348
Lc 385 GLN 0.395 0.156 0.266 0.498
Lc 386 GLN 0.087 -0.378 0.221 -0.021
Lc 387 PHE 0.137 -0.332 0.073 0.174
Lc 388 SER -0.099 -0.379 -0.167 0.039
Lc 389 GLU 0.093 -0.476 -0.066 0.220
Lc 390 PHE 0.036 -0.429 -0.004 0.059
Lc 391 SER 0.257 -0.129 0.076 0.620
Lc 392 PHE 0.157 -0.461 -0.125 0.318
Lc 393 LYS 0.097 -0.512 0.211 0.006
Lc 394 THR -0.053 -0.520 -0.150 0.078
Lc 395 LEU 0.184 -0.445 -0.002 0.369
Lc 396 LEU -0.102 -0.641 -0.353 0.150
Lc 397 THR -0.011 -0.513 0.271 -0.386
Lc 398 LYS -0.021 -0.502 -0.153 0.085
Lc 399 THR 0.119 -0.139 0.131 0.101
Lc 400 GLU 0.136 -0.689 0.498 -0.154
Lc 401 VAL -0.199 -0.437 -0.249 -0.131
Lc 402 ILE 0.062 -0.268 0.181 -0.058
Lc 403 MET 0.299 0.016 0.389 0.208
Lc 404 ALA 0.180 -0.204 0.276 -0.204
Lc 405 ILE 0.349 -0.040 0.400 0.299
Lc 406 THR 0.009 -0.372 -0.003 0.026
Lc 407 LYS 0.227 -0.107 0.194 0.253
Lc 408 ILE 0.073 -0.260 0.018 0.128
Lc 409 LYS 0.353 -0.428 0.217 0.461
Lc 410 VAL -0.213 -0.620 -0.087 -0.380
Lc 411 GLU 0.362 -0.095 0.283 0.425
Lc 412 CYS 0.113 -0.510 -0.084 0.507
Lc 413 ALA 0.043 -0.111 -0.035 0.354
Lc 414 LYS 0.130 -0.650 0.284 0.006
Lc 415 VAL -0.194 -0.450 -0.253 -0.116
Lc 416 THR 0.146 -0.617 0.358 -0.136
Lc 417 LYS -0.066 -0.373 -0.109 -0.032
Lc 418 MET -0.199 -0.766 -0.192 -0.205
Lc 419 CYS 0.095 -0.276 0.164 -0.043
Lc 420 LEU 0.191 -0.394 -0.043 0.426
Lc 421 PHE 0.147 -0.415 -0.054 0.262
Lc 422 ASN 0.121 -0.240 -0.019 0.261
Lc 423 THR 0.046 -0.423 0.093 -0.016
Lc 424 HIS 0.053 -0.659 -0.305 0.292
Lc 425 TYR -0.156 -0.694 -0.254 -0.107
Lc 426 THR -0.455 -0.706 -0.664 -0.176
Lc 427 LYS -0.037 -0.475 -0.072 -0.009
Lc 428 SER 0.189 -0.263 0.345 -0.124
Lc 429 ALA 0.089 -0.294 0.097 0.057
Lc 430 ARG 0.075 -0.468 0.005 0.115
Lc 431 LEU 0.330 -0.014 0.354 0.307
Lc 432 GLU 0.295 -0.470 0.409 0.204
Lc 433 GLU -0.412 -0.622 -0.408 -0.415
Lc 434 LEU 0.194 -0.614 0.048 0.340
Lc 435 GLU -0.090 -0.571 -0.267 0.052
Lc 436 GLN -0.027 -0.489 -0.014 -0.038
Lc 437 THR 0.184 -0.187 0.193 0.172
Lc 438 GLN 0.262 0.047 0.200 0.311
Lc 439 VAL 0.176 -0.287 -0.102 0.547
Lc 440 ALA -0.310 -0.813 -0.436 0.190
Lc 441 ALA -0.112 -0.620 -0.077 -0.254
Lc 442 LEU 0.035 -0.587 -0.121 0.191
Lc 443 ASP 0.226 -0.124 -0.024 0.475
Lc 444 SER -0.143 -0.640 0.071 -0.570
Lc 445 ALA 0.459 0.327 0.473 0.404
Lc 446 GLY 0.310 0.225 0.310 N/A
Lc 447 ASN 0.285 -0.363 0.491 0.080
Lc 448 TYR 0.073 -0.285 0.075 0.073
Lc 449 LEU 0.178 -0.256 0.195 0.160
Lc 450 LYS 0.122 -0.392 0.304 -0.023
Lc 451 ASP 0.173 -0.436 0.100 0.246
Lc 452 THR -0.339 -0.631 -0.305 -0.383
Lc 453 TRP 0.125 -0.431 0.013 0.170
Lc 454 CYS -0.185 -0.383 -0.172 -0.210
Lc 455 VAL -0.050 -0.466 0.098 -0.246
Lc 456 ALA 0.168 -0.433 0.318 -0.433
Lc 457 LEU -0.192 -0.529 -0.295 -0.088
Lc 458 ARG -0.188 -0.644 -0.516 -0.001
Lc 459 ASN -0.045 -0.426 0.078 -0.168
Lc 460 ALA -0.020 -0.220 0.010 -0.139
Lc 461 ILE -0.091 -0.493 0.035 -0.216
Lc 462 ARG -0.290 -0.707 -0.469 -0.188
Lc 463 ASN 0.062 -0.114 0.029 0.096
Lc 464 SER -0.088 -0.427 -0.053 -0.158
Lc 465 PHE -0.040 -0.563 0.083 -0.109
Lc 466 LYS 0.208 -0.295 0.577 -0.087
Lc 467 ASP 0.159 -0.276 0.192 0.127
Lc 468 VAL -0.163 -0.362 -0.100 -0.246
Lc 469 GLY -0.238 -0.465 -0.238 N/A
Lc 470 LYS -0.506 -0.771 -0.536 -0.481
Lc 471 GLY -0.260 -0.573 -0.260 N/A
Lc 472 TRP -0.106 -0.655 0.162 -0.213
Lc 473 PHE 0.125 -0.260 0.158 0.106
Lc 474 ASN 0.229 -0.251 0.090 0.368
Lc 475 LEU -0.008 -0.363 -0.115 0.099
Lc 476 GLY 0.315 0.071 0.315 N/A
Lc 477 GLU 0.133 -0.279 0.215 0.068
Lc 478 ALA 0.508 0.294 0.562 0.294
Lc 479 SER 0.041 -0.306 -0.161 0.445
Lc 480 MET -0.197 -0.699 -0.523 0.129
Lc 481 GLU 0.264 -0.228 0.211 0.306
Lc 482 THR 0.102 -0.320 0.276 -0.131
Lc 483 TYR 0.048 -0.391 0.129 0.007
Lc 484 GLU 0.163 -0.413 -0.083 0.359
Lc 485 PHE 0.163 -0.482 0.030 0.239
Lc 486 SER -0.317 -0.474 -0.321 -0.310
Lc 487 LYS -0.053 -0.784 -0.351 0.185
Lc 488 LEU -0.013 -0.525 -0.068 0.041
Lc 489 ARG 0.242 -0.246 0.154 0.292
Lc 490 LYS -0.263 -0.622 -0.229 -0.290
Lc 491 PHE -0.206 -0.721 0.058 -0.357
Lc 492 LEU -0.152 -0.444 -0.206 -0.098
Lc 493 THR 0.146 -0.357 0.398 -0.192
Lc 494 LEU 0.247 -0.102 0.400 0.094
Lc 495 THR 0.050 -0.396 -0.055 0.191
Lc 496 ARG 0.252 -0.555 0.291 0.230
Lc 497 PHE -0.142 -0.607 0.275 -0.380
Lc 498 VAL 0.293 -0.021 0.412 0.135
Lc 499 MET -0.234 -0.709 0.066 -0.534
Lc 500 GLU 0.387 -0.416 0.137 0.587
Lc 501 ASP 0.302 -0.244 0.204 0.400
Lc 502 THR -0.012 -0.471 0.240 -0.348
Lc 503 MET -0.045 -0.524 0.336 -0.426
Lc 504 ARG 0.066 -0.510 0.104 0.045
Lc 505 ALA 0.204 -0.084 0.195 0.239
Lc 506 LEU 0.075 -0.624 -0.180 0.330
Lc 507 VAL 0.326 -0.186 0.396 0.234
Lc 508 GLU 0.364 0.076 0.394 0.340
Lc 509 ASP -0.191 -0.518 -0.090 -0.293
Lc 510 SER 0.435 -0.328 0.315 0.675
Lc 511 LEU 0.173 -0.435 -0.043 0.389
Lc 512 GLY -0.229 -0.423 -0.229 N/A
Lc 513 LYS 0.145 -0.183 0.044 0.227
Lc 514 PHE 0.150 -0.265 0.065 0.198
Lc 515 THR 0.052 -0.506 -0.108 0.265
Lc 516 GLY -0.128 -0.464 -0.128 N/A
Lc 517 PHE -0.115 -0.675 0.035 -0.200
Lc 518 ILE -0.319 -0.640 -0.454 -0.184
Lc 519 GLN -0.153 -0.594 -0.241 -0.083
Lc 520 SER 0.303 0.013 0.221 0.466
Lc 521 CYS 0.266 -0.052 0.237 0.324
Lc 522 CYS -0.014 -0.282 0.037 -0.114
Lc 523 PRO 0.293 -0.293 0.116 0.528
Lc 524 GLY 0.242 0.075 0.242 N/A
Lc 525 ARG 0.434 -0.182 0.263 0.531
Lc 526 VAL 0.277 0.068 0.303 0.242
Lc 527 THR 0.227 0.051 0.290 0.144
Lc 528 VAL 0.183 -0.328 0.247 0.097
Lc 529 HIS -0.150 -0.541 -0.280 -0.064
Lc 530 SER 0.323 0.136 0.387 0.197
Lc 531 THR -0.017 -0.615 0.199 -0.305
Lc 532 SER 0.150 -0.295 0.319 -0.187
Lc 533 SER -0.055 -0.490 0.004 -0.175
Lc 534 VAL -0.154 -0.813 -0.451 0.243
Lc 535 GLU -0.308 -0.509 -0.301 -0.313
Lc 536 ILE -0.006 -0.349 -0.104 0.092
Lc 537 LEU -0.119 -0.377 -0.205 -0.032
Lc 538 ASP -0.233 -0.709 -0.459 -0.007
Lc 539 ALA -0.120 -0.581 -0.068 -0.326
Lc 540 SER 0.234 -0.740 0.152 0.397
Lc 541 SER 0.488 0.208 0.549 0.365
Lc 542 PRO -0.144 -0.624 -0.138 -0.152
Lc 543 VAL 0.102 -0.607 -0.222 0.534
Lc 544 PRO 0.415 0.306 0.357 0.492
Lc 545 VAL 0.212 -0.078 0.411 -0.053
Lc 546 PRO -0.228 -0.766 -0.079 -0.428
Lc 547 ALA -0.318 -0.604 -0.307 -0.361
Lc 548 ILE 0.181 -0.398 0.240 0.123
Lc 549 GLY 0.065 -0.488 0.065 N/A
Lc 550 PRO 0.094 -0.495 0.040 0.166
Lc 551 GLY 0.404 0.109 0.404 N/A
Lc 552 ARG -0.077 -0.406 -0.203 -0.004
Lc 553 LYS 0.002 -0.619 -0.086 0.072
Lc 554 PRO 0.228 -0.052 0.064 0.448
Lc 555 PRO -0.162 -0.553 -0.019 -0.353
Lc 556 LEU 0.075 -0.571 0.290 -0.140
Lc 557 LEU 0.013 -0.389 -0.272 0.299
Lc 558 VAL -0.397 -0.581 -0.286 -0.545
Lc 559 MET -0.008 -0.545 -0.024 0.009
Lc 560 ASP 0.032 -0.511 0.109 -0.046
Lc 561 LEU 0.208 -0.126 0.206 0.209
Lc 562 ALA 0.438 0.224 0.450 0.392
Lc 563 THR -0.124 -0.481 -0.162 -0.073
Lc 564 ASN 0.157 -0.249 0.242 0.071
Lc 565 LYS 0.219 -0.258 0.324 0.136
Lc 566 GLU -0.005 -0.409 -0.043 0.025
Lc 567 ALA -0.155 -0.265 -0.200 0.022
Lc 568 THR -0.177 -0.583 -0.047 -0.350
Lc 569 ARG 0.039 -0.715 0.015 0.052
Lc 570 PHE -0.072 -0.325 -0.109 -0.051
Lc 571 VAL 0.035 -0.397 0.104 -0.057
Lc 572 TYR 0.193 -0.319 0.594 -0.007
Lc 573 SER 0.251 -0.249 0.161 0.432
Lc 574 THR -0.028 -0.564 0.066 -0.154
Lc 575 GLN 0.225 -0.404 -0.013 0.416
Lc 576 PRO 0.124 -0.516 0.377 -0.214
Lc 577 GLU 0.026 -0.617 -0.050 0.087
Lc 578 SER 0.376 0.008 0.246 0.637
Lc 579 ILE -0.084 -0.443 -0.184 0.015
Lc 580 VAL 0.092 -0.314 -0.088 0.331
Lc 581 THR -0.206 -0.595 -0.044 -0.423
Lc 582 LYS 0.061 -0.744 -0.452 0.471
Lc 583 ILE -0.327 -0.615 -0.269 -0.385
Lc 584 MET 0.168 -0.304 -0.000 0.337
Lc 585 ALA 0.292 0.018 0.360 0.018
Lc 586 LEU 0.085 -0.694 0.505 -0.335
Lc 587 PHE 0.269 -0.003 0.303 0.250
Lc 588 ASP 0.179 -0.110 0.167 0.192
Lc 589 ALA 0.012 -0.611 -0.020 0.138
Lc 590 ALA -0.310 -0.437 -0.340 -0.193
Lc 591 ILE 0.093 -0.571 -0.123 0.309
Lc 592 GLY 0.176 -0.103 0.176 N/A
Lc 593 ARG -0.277 -0.567 -0.234 -0.302
Lc 594 THR 0.576 0.204 0.563 0.594
Lc 595 GLN 0.193 -0.128 0.233 0.160
Lc 596 GLY 0.444 0.288 0.444 N/A
Lc 597 LEU -0.254 -0.757 -0.302 -0.206
Lc 598 HIS 0.224 0.018 0.134 0.284
Lc 599 THR 0.213 -0.269 0.238 0.180
Lc 600 LEU 0.323 -0.150 0.154 0.492
Lc 601 GLU 0.270 -0.181 0.194 0.331
Lc 602 PRO 0.205 -0.283 0.432 -0.097
Lc 603 ALA 0.347 0.166 0.346 0.347
Lc 604 ILE -0.006 -0.339 -0.011 -0.002
Lc 605 MET -0.119 -0.598 -0.517 0.279
Lc 606 GLU -0.006 -0.539 0.262 -0.220
Lc 607 ASN -0.062 -0.623 -0.122 -0.002
Lc 608 LEU -0.289 -0.536 -0.341 -0.237
Lc 609 PHE 0.323 -0.454 0.163 0.414
Lc 610 TRP -0.278 -0.690 -0.263 -0.284
Lc 611 ALA 0.112 -0.036 0.149 -0.036
Lc 612 THR -0.010 -0.502 -0.168 0.200
Lc 613 ALA 0.402 0.098 0.388 0.459
Lc 614 PRO 0.456 0.146 0.465 0.444
Lc 615 VAL 0.331 0.061 0.262 0.422
Lc 616 LEU 0.293 -0.180 0.146 0.439
Lc 617 SER -0.338 -0.714 -0.471 -0.072
Lc 618 THR 0.511 0.157 0.548 0.461
Lc 619 VAL 0.431 -0.170 0.418 0.448
Lc 620 HIS 0.015 -0.488 -0.202 0.160
Lc 621 GLN 0.274 -0.098 0.071 0.437
Lc 622 GLN 0.373 -0.221 0.123 0.573
Lc 623 GLU -0.205 -0.744 -0.257 -0.163
Lc 624 GLU -0.246 -0.576 -0.242 -0.249
Lc 625 ILE 0.166 -0.504 0.171 0.160
Lc 626 VAL -0.132 -0.584 -0.029 -0.269
Lc 627 VAL 0.019 -0.555 -0.073 0.142
Lc 628 ARG 0.053 -0.530 -0.049 0.111
Lc 629 HIS 0.101 -0.337 0.025 0.152
Lc 630 ARG -0.418 -0.719 -0.281 -0.497
Lc 631 GLU -0.102 -0.659 -0.262 0.027
Lc 632 LEU 0.033 -0.235 0.026 0.041
Lc 633 LEU -0.227 -0.558 -0.126 -0.328
Lc 634 ARG -0.122 -0.511 -0.130 -0.117
Lc 635 ALA 0.061 -0.346 0.163 -0.346
Lc 636 ALA 0.088 -0.277 0.180 -0.277
Lc 637 LEU 0.060 -0.539 0.313 -0.193
Lc 638 SER 0.061 -0.258 0.144 -0.106
Lc 639 ALA -0.026 -0.160 0.001 -0.133
Lc 640 ALA -0.528 -0.680 -0.564 -0.382
Lc 641 LEU -0.338 -0.508 -0.319 -0.357
Lc 642 VAL -0.171 -0.470 -0.070 -0.307
Lc 643 PRO 0.103 -0.342 -0.089 0.359
Lc 644 LEU -0.225 -0.796 -0.424 -0.025
Lc 645 GLU -0.408 -0.750 -0.497 -0.337
Lc 646 GLU -0.277 -0.801 -0.097 -0.421
Lc 647 TYR -0.289 -0.698 -0.256 -0.305
Lc 648 MET 0.152 -0.591 -0.101 0.405
Lc 649 ALA 0.406 -0.334 0.320 0.750
Lc 650 LYS -0.027 -0.435 0.179 -0.192
Lc 651 PHE 0.286 -0.219 0.545 0.138
Lc 652 GLU 0.042 -0.489 -0.261 0.285
Lc 653 LYS -0.053 -0.594 -0.411 0.234
Lc 654 TYR 0.078 -0.647 -0.448 0.340
Lc 655 VAL -0.119 -0.656 0.069 -0.370
Lc 656 PRO -0.530 -0.779 -0.508 -0.559
Lc 657 LEU 0.010 -0.401 -0.175 0.195
Lc 658 LEU -0.182 -0.588 0.092 -0.456
Lc 659 GLN 0.053 -0.395 -0.200 0.256
Lc 660 LEU -0.190 -0.518 -0.354 -0.025
Lc 661 ASN -0.542 -0.817 -0.573 -0.512
Lc 662 VAL -0.255 -0.714 -0.509 0.083
Lc 663 GLU 0.149 -0.523 -0.074 0.327
Lc 664 SER 0.390 0.059 0.473 0.224
Lc 665 TYR 0.209 -0.244 0.112 0.258
Lc 666 VAL 0.191 -0.072 0.061 0.363
Lc 667 ALA -0.190 -0.464 -0.204 -0.131
Lc 668 ALA 0.124 -0.446 0.267 -0.446
Lc 669 LEU -0.174 -0.763 -0.611 0.262
Lc 670 GLU -0.074 -0.774 -0.112 -0.043
Lc 671 ALA 0.103 -0.449 0.181 -0.206
Lc 672 LYS 0.217 -0.601 0.069 0.335
Lc 673 GLY -0.095 -0.652 -0.095 N/A
Lc 674 GLU -0.179 -0.727 0.067 -0.376
Lc 675 GLU 0.426 -0.077 0.533 0.341
Lc 676 LEU -0.121 -0.595 0.164 -0.406
Lc 677 SER 0.387 0.154 0.295 0.570
Lc 678 LEU 0.158 -0.406 0.423 -0.108
Lc 679 THR 0.033 -0.533 0.334 -0.368
Lc 680 GLU -0.083 -0.549 0.366 -0.443
Lc 681 VAL -0.021 -0.313 0.054 -0.122
Lc 682 ARG 0.046 -0.740 0.199 -0.041
Lc 683 ALA 0.147 -0.290 0.256 -0.290
Lc 684 GLU 0.294 -0.038 0.314 0.279
Lc 685 ILE -0.486 -0.794 -0.493 -0.478
Lc 686 LYS -0.127 -0.553 0.296 -0.465
Lc 687 ARG -0.152 -0.560 0.009 -0.244
Lc 688 ALA -0.058 -0.433 -0.005 -0.272
Lc 689 SER -0.059 -0.412 -0.171 0.164
Lc 690 ALA -0.123 -0.384 -0.058 -0.384
Lc 691 ASP -0.338 -0.627 -0.356 -0.321
Lc 692 LEU -0.279 -0.810 -0.380 -0.177
Lc 693 GLU -0.204 -0.577 -0.272 -0.149
Lc 694 SER -0.067 -0.369 -0.298 0.396
Lc 695 LEU -0.414 -0.742 -0.572 -0.256
Lc 696 MET -0.118 -0.640 -0.321 0.085
Lc 697 GLU -0.025 -0.646 -0.183 0.101
Lc 698 SER -0.332 -0.604 -0.241 -0.513
Lc 699 VAL -0.053 -0.223 -0.153 0.081
Lc 700 PRO -0.083 -0.530 -0.142 -0.005
Lc 701 ILE 0.330 -0.223 0.501 0.159
Lc 702 GLY 0.065 -0.111 0.065 N/A
Lc 703 ILE 0.122 -0.430 0.063 0.182
Lc 704 SER 0.369 -0.016 0.269 0.569
Lc 705 LEU 0.403 0.147 0.426 0.380
Lc 706 GLY 0.228 0.052 0.228 N/A
Lc 707 LEU -0.158 -0.508 -0.153 -0.164
Lc 708 VAL -0.266 -0.785 -0.146 -0.426
Lc 709 GLN 0.080 -0.277 0.079 0.081
Lc 710 ILE 0.029 -0.496 -0.291 0.350
Lc 711 ASN -0.049 -0.534 -0.134 0.036
Lc 712 LEU -0.268 -0.723 -0.306 -0.230
Lc 713 VAL -0.370 -0.732 -0.586 -0.081
Lc 714 LYS 0.121 -0.543 -0.089 0.289
Lc 715 THR 0.011 -0.285 0.185 -0.220
Lc 716 ARG -0.010 -0.511 0.360 -0.222
Lc 717 GLU 0.385 -0.189 0.267 0.479
Lc 718 LEU -0.232 -0.660 -0.408 -0.056
Lc 719 LEU -0.021 -0.378 -0.001 -0.042
Lc 720 VAL -0.329 -0.700 -0.456 -0.159
Lc 721 LYS 0.155 -0.624 0.324 0.020
Lc 722 LYS 0.111 -0.500 0.387 -0.110
Lc 723 GLN 0.113 -0.412 0.262 -0.006
Lc 724 GLU -0.333 -0.715 -0.342 -0.325
Lc 725 LYS -0.009 -0.509 -0.113 0.075
Lc 726 LEU 0.025 -0.329 -0.040 0.091
Lc 727 VAL 0.128 -0.237 0.023 0.267
Lc 728 ALA 0.269 -0.273 0.248 0.352
Lc 729 LEU 0.363 0.232 0.305 0.420
Lc 730 LEU -0.322 -0.460 -0.319 -0.325
Lc 731 LYS -0.057 -0.380 -0.028 -0.081
Lc 732 ALA -0.182 -0.754 -0.365 0.553
Lc 733 LEU -0.363 -0.674 -0.394 -0.332
Lc 734 ALA -0.064 -0.169 -0.070 -0.039
Lc 735 ALA -0.128 -0.357 -0.191 0.122
Lc 736 ARG 0.035 -0.587 0.207 -0.063
Lc 737 VAL -0.344 -0.634 -0.469 -0.177
Lc 738 PRO -0.051 -0.694 -0.479 0.520
Lc 739 ARG 0.324 -0.128 0.421 0.268
Lc 740 ARG 0.035 -0.702 -0.292 0.221
Lc 741 ALA -0.467 -0.571 -0.528 -0.221
Lc 742 MET -0.315 -0.592 -0.426 -0.204
Lc 743 ALA 0.108 -0.391 0.018 0.467
Lc 744 SER 0.072 -0.178 0.099 0.018
Lc 745 VAL -0.168 -0.558 -0.053 -0.322
Lc 746 SER 0.140 -0.257 0.265 -0.109
Lc 747 THR 0.452 0.026 0.598 0.258
Lc 748 LYS 0.136 -0.328 -0.028 0.266
Lc 749 PHE -0.058 -0.418 -0.402 0.138
Lc 750 ALA 0.191 -0.250 0.160 0.313
Lc 751 GLU -0.107 -0.693 0.083 -0.258
Lc 752 ILE -0.040 -0.540 -0.018 -0.061
Lc 753 ASP 0.327 -0.213 0.380 0.273
Lc 754 ARG 0.124 -0.626 0.386 -0.026
Lc 755 ALA 0.022 -0.291 -0.043 0.280
Lc 756 LEU 0.027 -0.582 -0.306 0.361
Lc 757 LYS -0.015 -0.601 -0.125 0.074
Lc 758 ALA -0.037 -0.305 -0.029 -0.065
Lc 759 LYS 0.017 -0.524 0.192 -0.123
Lc 760 ALA -0.224 -0.770 -0.321 0.165
Lc 761 ASN 0.121 -0.450 -0.049 0.290
Lc 762 ASN 0.369 -0.251 0.228 0.510
Lc 763 LEU -0.127 -0.629 -0.297 0.042
Lc 764 GLU 0.190 -0.362 0.089 0.270
Lc 765 ASP 0.148 -0.424 0.079 0.216
Lc 766 VAL -0.377 -0.640 -0.274 -0.514
Lc 767 ASP 0.351 0.034 0.127 0.574
Lc 768 GLU 0.162 -0.382 0.168 0.158
Lc 769 GLN -0.004 -0.500 0.302 -0.249
Lc 770 ARG 0.040 -0.516 0.018 0.053
Lc 771 HIS 0.342 -0.116 0.545 0.207
Lc 772 TYR 0.411 -0.435 0.178 0.528
Lc 773 ILE 0.360 -0.088 0.279 0.440
Lc 774 GLU 0.297 -0.318 0.354 0.252
Lc 775 SER 0.142 -0.560 0.023 0.380
Lc 776 LEU 0.152 -0.397 -0.099 0.403
Lc 777 PRO -0.092 -0.423 -0.130 -0.041
Lc 778 ASN -0.169 -0.520 -0.188 -0.150
Lc 779 LYS 0.330 -0.301 0.247 0.396
Lc 780 VAL -0.030 -0.667 0.146 -0.263
Lc 781 TYR 0.133 -0.377 0.216 0.092
Lc 782 GLU 0.278 -0.108 0.061 0.451
Lc 783 LEU -0.094 -0.764 0.331 -0.518
Lc 784 MET 0.016 -0.551 0.193 -0.161
Lc 785 ALA -0.280 -0.426 -0.244 -0.426
Lc 786 ASP -0.396 -0.669 -0.295 -0.497
Lc 787 VAL 0.029 -0.529 -0.093 0.193
Lc 788 GLU -0.153 -0.433 -0.110 -0.188
Lc 789 ALA -0.183 -0.514 -0.100 -0.514
Lc 790 GLN -0.309 -0.755 -0.237 -0.367
Lc 791 ARG -0.059 -0.533 -0.289 0.072
Lc 792 GLY -0.142 -0.402 -0.142 N/A
Lc 793 TRP -0.098 -0.572 -0.107 -0.094
Lc 794 TYR 0.230 -0.191 0.476 0.107
Lc 795 GLU 0.338 -0.230 0.707 0.043
Lc 796 LEU 0.243 -0.354 0.068 0.419
Lc 797 LEU -0.062 -0.525 -0.186 0.062
Lc 798 GLU -0.101 -0.522 -0.235 0.006
Lc 799 GLY -0.004 -0.361 -0.004 N/A
Lc 800 MET -0.065 -0.550 -0.100 -0.031
Lc 801 ARG 0.356 0.064 0.423 0.318
Lc 802 TYR -0.216 -0.534 -0.210 -0.220
Lc 803 LEU 0.265 -0.150 0.375 0.154
Lc 804 LEU 0.109 -0.624 -0.156 0.374
Lc 805 PRO 0.167 -0.372 0.352 -0.080
Lc 806 GLU -0.104 -0.649 -0.176 -0.047
Lc 807 GLU -0.054 -0.588 -0.168 0.038
Lc 808 ASP 0.467 0.148 0.330 0.604
Lc 809 LEU -0.041 -0.580 0.090 -0.172
Lc 810 LYS 0.308 -0.200 0.524 0.135
Lc 811 GLU -0.023 -0.695 0.366 -0.334
Lc 812 LYS -0.032 -0.564 -0.116 0.036
Lc 813 PHE 0.185 -0.381 -0.034 0.310
Lc 814 ALA 0.482 0.292 0.530 0.292
Lc 815 GLY 0.121 0.008 0.121 N/A
Lc 816 GLU 0.083 -0.314 -0.026 0.170
Lc 817 SER 0.205 -0.011 0.238 0.140
Lc 818 TRP -0.081 -0.612 -0.013 -0.108
Lc 819 GLY 0.370 -0.031 0.370 N/A
Lc 820 MET -0.191 -0.523 -0.143 -0.240
Lc 821 ARG -0.295 -0.635 -0.186 -0.358
Lc 822 LEU -0.017 -0.291 -0.033 -0.001
Lc 823 THR 0.460 0.289 0.421 0.512
Lc 824 ARG 0.230 -0.237 0.301 0.190
Lc 825 GLN -0.096 -0.707 -0.434 0.174
Lc 826 ALA 0.201 -0.461 0.184 0.270
Lc 827 GLU -0.102 -0.602 -0.314 0.068
Lc 828 LYS 0.063 -0.523 0.498 -0.285
Lc 829 GLN -0.177 -0.560 0.197 -0.476
Lc 830 LEU 0.105 -0.516 -0.124 0.333
Lc 831 GLU -0.035 -0.598 -0.122 0.035
Lc 832 VAL -0.162 -0.670 -0.403 0.159
Lc 833 LEU 0.174 -0.493 0.603 -0.255
Lc 834 ALA 0.064 -0.472 0.199 -0.472
Lc 835 GLY 0.322 0.240 0.322 N/A
Lc 836 ASP -0.059 -0.574 0.051 -0.169
Lc 837 GLU -0.088 -0.499 0.081 -0.222
Lc 838 ALA 0.209 -0.342 0.347 -0.342
Lc 839 ARG -0.272 -0.787 -0.209 -0.308
Lc 840 PHE -0.260 -0.732 -0.324 -0.223
Lc 841 LYS -0.190 -0.506 -0.350 -0.063
Lc 842 GLY 0.387 -0.147 0.387 N/A
Lc 843 GLU 0.425 -0.068 0.509 0.357
Lc 844 MET -0.081 -0.534 -0.284 0.121
Lc 845 ILE 0.335 -0.475 0.185 0.484
Lc 846 THR -0.107 -0.616 -0.040 -0.197
Lc 847 GLU 0.291 -0.202 0.196 0.367
Lc 848 GLN -0.016 -0.413 0.080 -0.094
Lc 849 ASP 0.183 -0.419 0.222 0.144
Lc 850 MET 0.025 -0.403 0.295 -0.245
Lc 851 PHE 0.221 -0.378 0.478 0.074
Lc 852 ARG 0.066 -0.331 -0.074 0.146
Lc 853 ASP -0.336 -0.715 -0.240 -0.431
Lc 854 THR -0.382 -0.696 -0.486 -0.242
Lc 855 ILE -0.164 -0.435 -0.004 -0.324
Lc 856 GLY -0.370 -0.543 -0.370 N/A
Lc 857 ASP -0.075 -0.610 -0.361 0.211
Lc 858 LEU -0.162 -0.645 -0.242 -0.081
Lc 859 GLN 0.146 -0.414 0.192 0.110
Lc 860 VAL -0.157 -0.671 -0.318 0.058
Lc 861 LEU -0.114 -0.739 -0.002 -0.227
Lc 862 VAL -0.242 -0.815 -0.600 0.236
Lc 863 SER -0.122 -0.777 -0.074 -0.218
Lc 864 ASN -0.084 -0.801 -0.333 0.165
Lc 865 PHE 0.208 -0.497 -0.037 0.348
Lc 866 GLY -0.171 -0.639 -0.171 N/A
Lc 867 LEU 0.170 -0.273 0.220 0.120
Lc 868 TYR 0.257 -0.290 0.155 0.308
Lc 869 THR 0.370 0.018 0.365 0.377
Lc 870 ASP 0.091 -0.336 0.050 0.132
Lc 871 LEU -0.001 -0.532 -0.252 0.249
Lc 872 GLY -0.372 -0.553 -0.372 N/A
Lc 873 LYS 0.198 -0.157 0.264 0.145
Lc 874 MET -0.045 -0.657 0.384 -0.475
Lc 875 GLU 0.200 -0.396 0.301 0.119
Lc 876 ALA 0.235 -0.103 0.225 0.272
Lc 877 VAL -0.045 -0.378 -0.134 0.074
Lc 878 VAL -0.237 -0.537 -0.344 -0.094
Lc 879 THR -0.020 -0.411 0.085 -0.161
Lc 880 GLU -0.036 -0.385 -0.052 -0.022
Lc 881 VAL 0.268 -0.417 0.447 0.029
Lc 882 ARG 0.014 -0.482 0.015 0.013
Lc 883 SER 0.287 0.013 0.413 0.034
Lc 884 VAL 0.085 -0.561 0.341 -0.257
Lc 885 ASP 0.113 -0.431 0.278 -0.053
Lc 886 GLU -0.047 -0.801 0.323 -0.343
Lc 887 ARG -0.085 -0.478 -0.024 -0.119
Lc 888 LEU 0.137 -0.512 -0.263 0.537
Lc 889 LYS -0.156 -0.500 -0.137 -0.171
Lc 890 LYS -0.103 -0.704 -0.312 0.064
Lc 891 ALA 0.233 -0.462 0.277 0.059
Lc 892 ASP 0.182 -0.409 0.174 0.190
Lc 893 ARG -0.092 -0.755 -0.027 -0.130
Lc 894 ASP -0.018 -0.379 -0.289 0.253
Lc 895 ALA -0.155 -0.638 -0.063 -0.523
Lc 896 GLY 0.447 0.420 0.447 N/A
Lc 897 VAL 0.183 -0.229 -0.024 0.460
Lc 898 TYR -0.067 -0.567 -0.371 0.085
Lc 899 ASN 0.112 -0.504 0.065 0.159
Lc 900 SER 0.001 -0.368 0.111 -0.220
[deleted to fit within ticket limits]
Lc 1726 LEU -0.324 -0.692 -0.487 -0.160
Lc 1727 LEU 0.319 -0.156 0.109 0.529
Lc 1728 LYS 0.042 -0.461 0.099 -0.004
Lc 1729 ALA 0.019 -0.395 0.035 -0.045
Lc 1730 LEU 0.203 -0.534 0.459 -0.052
Lc 1731 ASP 0.256 -0.288 0.389 0.123
Lc 1732 GLU 0.183 -0.215 0.247 0.133
Lc 1733 SER 0.233 -0.368 0.199 0.300
Lc 1734 CYS -0.481 -0.752 -0.492 -0.459
Lc 1735 GLY -0.135 -0.485 -0.135 N/A
Lc 1736 GLU -0.394 -0.813 -0.184 -0.561
Lc 1737 LEU 0.150 -0.245 0.357 -0.057
Lc 1738 GLY 0.079 -0.302 0.079 N/A
Lc 1739 ILE -0.045 -0.542 0.122 -0.211
Lc 1740 GLN 0.250 -0.177 -0.024 0.470
Lc 1741 PRO 0.005 -0.390 0.206 -0.263
Lc 1742 VAL 0.183 -0.466 0.214 0.141
Lc 1743 GLU 0.077 -0.746 -0.400 0.460
Lc 1744 SER -0.023 -0.503 0.013 -0.095
Lc 1745 PHE -0.153 -0.705 -0.182 -0.136
Lc 1746 VAL -0.096 -0.618 0.195 -0.485
Lc 1747 GLY -0.037 -0.523 -0.037 N/A
Lc 1748 LYS 0.259 -0.316 0.270 0.251
Lc 1749 VAL 0.153 -0.588 -0.179 0.595
Lc 1750 ILE -0.045 -0.719 -0.209 0.118
Lc 1751 GLN 0.018 -0.591 -0.057 0.078
Lc 1752 LEU -0.037 -0.746 0.272 -0.347
Lc 1753 TYR -0.227 -0.557 -0.369 -0.155
Lc 1754 GLU 0.093 -0.613 -0.393 0.481
Lc 1755 THR 0.267 -0.129 0.223 0.325
Lc 1756 THR -0.220 -0.718 0.017 -0.535
Lc 1757 ILE -0.243 -0.647 -0.005 -0.481
Lc 1758 VAL 0.377 -0.302 0.330 0.441
Lc 1759 ARG 0.210 -0.514 0.530 0.028
Lc 1760 HIS 0.125 -0.538 0.199 0.076
Lc 1761 GLY 0.280 -0.273 0.280 N/A
Lc 1762 LEU 0.113 -0.429 0.008 0.218
Lc 1763 MET 0.194 -0.181 0.337 0.050
Lc 1764 LEU -0.205 -0.492 -0.311 -0.099
Lc 1765 VAL -0.009 -0.791 0.355 -0.495
Lc 1766 GLY 0.602 0.395 0.602 N/A
Lc 1767 PRO 0.175 -0.572 0.441 -0.179
Lc 1768 THR -0.129 -0.828 0.093 -0.425
Lc 1769 MET 0.057 -0.427 0.224 -0.109
Lc 1770 GLY 0.155 -0.136 0.155 N/A
Lc 1771 GLY -0.317 -0.423 -0.317 N/A
Lc 1772 LYS -0.120 -0.730 0.288 -0.446
Lc 1773 THR 0.277 -0.215 0.390 0.126
Lc 1774 CYS -0.099 -0.583 -0.201 0.104
Lc 1775 CYS 0.255 -0.018 0.359 0.047
Lc 1776 TYR -0.239 -0.682 -0.334 -0.191
Lc 1777 ARG -0.167 -0.574 -0.038 -0.241
Lc 1778 SER 0.445 0.110 0.356 0.623
Lc 1779 LEU 0.167 -0.421 0.132 0.202
Lc 1780 GLN 0.126 -0.485 -0.234 0.415
Lc 1781 LYS 0.432 -0.302 0.461 0.408
Lc 1782 ALA 0.325 -0.502 0.532 -0.502
Lc 1783 MET -0.031 -0.658 0.066 -0.129
Lc 1784 THR 0.245 -0.439 0.055 0.499
Lc 1785 LYS -0.021 -0.779 -0.476 0.343
Lc 1786 LEU -0.246 -0.632 -0.283 -0.210
Lc 1787 ALA 0.365 -0.099 0.482 -0.099
Lc 1788 ALA 0.287 -0.256 0.248 0.443
Lc 1789 ALA 0.144 -0.093 0.157 0.093
Lc 1790 GLY 0.055 -0.539 0.055 N/A
Lc 1791 ASP 0.061 -0.231 0.023 0.099
Lc 1792 SER -0.014 -0.515 -0.030 0.017
Lc 1793 LYS -0.226 -0.533 0.107 -0.493
Lc 1794 TYR 0.144 -0.268 0.060 0.187
Lc 1795 GLU 0.137 -0.528 0.374 -0.052
Lc 1796 ARG 0.011 -0.497 0.028 0.002
Lc 1797 VAL -0.393 -0.681 -0.396 -0.388
Lc 1798 ARG -0.189 -0.635 -0.456 -0.037
Lc 1799 VAL -0.165 -0.668 -0.034 -0.339
Lc 1800 VAL -0.196 -0.642 -0.071 -0.362
Lc 1801 ALA 0.149 -0.410 0.192 -0.021
Lc 1802 LEU 0.024 -0.655 0.081 -0.033
Lc 1803 ASN 0.236 -0.296 0.426 0.046
Lc 1804 PRO 0.253 -0.651 0.715 -0.364
Lc 1805 LYS 0.085 -0.710 0.042 0.118
Lc 1806 SER 0.194 -0.602 0.108 0.367
Lc 1807 ILE 0.244 -0.220 0.204 0.283
Lc 1808 THR 0.213 0.051 0.147 0.302
Lc 1809 MET -0.101 -0.522 -0.168 -0.034
Lc 1810 GLY -0.134 -0.497 -0.134 N/A
Lc 1811 GLN -0.219 -0.538 0.016 -0.407
Lc 1812 LEU 0.059 -0.218 -0.013 0.132
Lc 1813 TYR 0.240 -0.021 0.278 0.221
Lc 1814 GLY 0.273 -0.005 0.273 N/A
Lc 1815 GLU -0.245 -0.647 -0.218 -0.266
Lc 1816 PHE -0.054 -0.586 0.178 -0.186
Lc 1817 ASP -0.163 -0.659 -0.431 0.105
Lc 1818 GLU -0.152 -0.528 -0.119 -0.177
Lc 1819 ASN 0.230 -0.158 0.132 0.328
Lc 1820 THR -0.023 -0.631 -0.227 0.248
Lc 1821 HIS -0.135 -0.540 0.205 -0.361
Lc 1822 GLU -0.096 -0.732 0.167 -0.306
Lc 1823 TRP 0.057 -0.823 0.663 -0.185
Lc 1824 THR -0.084 -0.651 0.046 -0.258
Lc 1825 ASP -0.368 -0.722 -0.368 -0.369
Lc 1826 GLY -0.099 -0.439 -0.099 N/A
Lc 1827 VAL 0.122 -0.095 0.088 0.168
Lc 1828 LEU -0.134 -0.685 0.167 -0.435
Lc 1829 ALA 0.400 0.340 0.368 0.531
Lc 1830 CYS 0.133 -0.359 0.140 0.121
Lc 1831 TYR -0.094 -0.472 -0.127 -0.077
Lc 1832 MET -0.005 -0.699 -0.151 0.142
Lc 1833 ARG 0.182 -0.508 0.135 0.209
Lc 1834 GLU -0.160 -0.689 -0.282 -0.063
Lc 1835 CYS -0.191 -0.524 -0.395 0.219
Lc 1836 SER 0.051 -0.397 0.230 -0.306
Lc 1837 GLU 0.007 -0.643 0.039 -0.019
Lc 1838 ASP -0.057 -0.551 0.246 -0.359
Lc 1839 THR 0.155 -0.436 0.357 -0.114
Lc 1840 LYS -0.033 -0.425 -0.121 0.037
Lc 1841 PRO -0.131 -0.683 -0.491 0.349
Lc 1842 ASP -0.174 -0.661 -0.383 0.034
Lc 1843 LYS -0.266 -0.764 0.073 -0.536
Lc 1844 LYS 0.341 -0.148 0.534 0.186
Lc 1845 TRP -0.080 -0.578 0.028 -0.123
Lc 1846 ILE -0.189 -0.480 -0.277 -0.102
Lc 1847 MET -0.109 -0.750 -0.275 0.058
Lc 1848 PHE 0.051 -0.717 0.115 0.015
Lc 1849 ASP -0.406 -0.734 -0.339 -0.473
Lc 1850 GLY -0.210 -0.477 -0.210 N/A
Lc 1851 PRO -0.106 -0.635 -0.112 -0.098
Lc 1852 VAL 0.230 -0.655 0.070 0.443
Lc 1853 ASP -0.089 -0.799 -0.405 0.228
Lc 1854 ALA -0.105 -0.277 -0.220 0.355
Lc 1855 VAL 0.203 -0.221 0.180 0.235
Lc 1856 TRP -0.539 -0.721 -0.355 -0.613
Lc 1857 ILE 0.220 -0.308 0.331 0.108
Lc 1858 GLU -0.101 -0.461 0.071 -0.238
Lc 1859 ASN 0.134 -0.704 0.438 -0.171
Lc 1860 MET -0.230 -0.657 -0.202 -0.257
Lc 1861 ASN 0.289 -0.278 0.413 0.166
Lc 1862 THR 0.132 -0.382 0.362 -0.175
Lc 1863 VAL 0.303 -0.254 0.214 0.421
Lc 1864 LEU 0.202 -0.407 0.028 0.376
Lc 1865 ASP 0.523 0.237 0.517 0.529
Lc 1866 ASP 0.144 -0.153 0.124 0.164
Lc 1867 ASN -0.485 -0.800 -0.386 -0.584
Lc 1868 LYS -0.378 -0.717 -0.613 -0.191
Lc 1869 LYS 0.147 -0.393 0.174 0.125
Lc 1870 LEU 0.212 -0.681 0.417 0.007
Lc 1871 CYS 0.172 -0.199 0.261 -0.006
Lc 1872 LEU 0.090 -0.579 0.484 -0.304
Lc 1873 VAL -0.103 -0.546 -0.236 0.074
Lc 1874 SER -0.405 -0.709 -0.414 -0.388
Lc 1875 GLY 0.279 -0.094 0.279 N/A
Lc 1876 GLU -0.378 -0.765 -0.342 -0.407
Lc 1877 ILE -0.026 -0.690 -0.311 0.259
Lc 1878 ILE 0.064 -0.415 0.044 0.083
Lc 1879 GLN 0.261 0.057 0.245 0.273
Lc 1880 LEU 0.442 -0.165 0.593 0.291
Lc 1881 SER 0.381 0.212 0.432 0.277
Lc 1882 ALA -0.193 -0.529 -0.133 -0.433
Lc 1883 SER -0.311 -0.677 -0.205 -0.523
Lc 1884 MET -0.197 -0.518 -0.226 -0.168
Lc 1885 THR -0.199 -0.813 0.132 -0.641
Lc 1886 MET -0.211 -0.537 -0.070 -0.353
Lc 1887 MET -0.180 -0.525 -0.444 0.084
Lc 1888 PHE -0.104 -0.457 -0.061 -0.128
Lc 1889 GLU 0.113 -0.586 0.473 -0.175
Lc 1890 VAL 0.378 -0.101 0.454 0.277
Lc 1891 GLU -0.364 -0.759 -0.038 -0.625
Lc 1892 ASP 0.001 -0.523 -0.132 0.135
Lc 1893 LEU -0.206 -0.493 -0.204 -0.209
Lc 1894 ALA -0.244 -0.393 -0.355 0.201
Lc 1895 VAL -0.348 -0.746 -0.167 -0.590
Lc 1896 ALA -0.217 -0.540 -0.158 -0.453
Lc 1897 SER -0.139 -0.570 -0.031 -0.354
Lc 1898 PRO -0.460 -0.675 -0.347 -0.610
Lc 1899 ALA 0.090 -0.337 0.122 -0.040
Lc 1900 THR -0.042 -0.427 -0.255 0.243
Lc 1901 VAL 0.192 -0.217 0.186 0.199
Lc 1902 SER 0.017 -0.526 -0.052 0.154
Lc 1903 ARG -0.144 -0.522 -0.246 -0.086
Lc 1904 CYS -0.297 -0.643 -0.245 -0.403
Lc 1905 GLY 0.427 -0.017 0.427 N/A
Lc 1906 MET -0.044 -0.603 0.271 -0.359
Lc 1907 VAL 0.186 -0.368 0.400 -0.101
Lc 1908 TYR -0.042 -0.740 -0.385 0.129
Lc 1909 MET -0.211 -0.570 -0.129 -0.293
Lc 1910 GLU -0.205 -0.675 -0.023 -0.351
Lc 1911 PRO 0.100 -0.398 0.167 0.012
Lc 1912 THR -0.074 -0.696 -0.351 0.295
Lc 1913 ALA 0.436 0.159 0.455 0.356
Lc 1914 LEU 0.226 -0.239 0.020 0.432
Lc 1915 GLY -0.159 -0.538 -0.159 N/A
Lc 1916 LEU 0.035 -0.495 -0.158 0.228
Lc 1917 GLU -0.072 -0.338 0.099 -0.208
Lc 1918 PRO -0.109 -0.638 -0.134 -0.075
Lc 1919 LEU 0.073 -0.784 0.368 -0.221
Lc 1920 LEU -0.103 -0.624 -0.076 -0.129
Lc 1921 THR 0.432 -0.073 0.581 0.232
Lc 1922 SER 0.164 -0.251 0.132 0.228
Lc 1923 TRP 0.088 -0.548 0.144 0.066
Lc 1924 LEU -0.021 -0.646 0.307 -0.349
Lc 1925 ALA 0.287 -0.251 0.271 0.354
Lc 1926 ARG 0.107 -0.477 -0.125 0.239
Lc 1927 LEU -0.163 -0.603 0.125 -0.450
Lc 1928 PRO -0.433 -0.785 -0.423 -0.447
Lc 1929 PRO -0.203 -0.550 -0.392 0.049
Lc 1930 GLY 0.368 0.038 0.368 N/A
Lc 1931 GLY -0.256 -0.405 -0.256 N/A
Lc 1932 VAL 0.076 -0.155 0.027 0.143
Lc 1933 ALA -0.238 -0.573 -0.414 0.466
Lc 1934 GLU 0.051 -0.397 -0.093 0.166
Lc 1935 ASN -0.025 -0.433 0.074 -0.124
Lc 1936 SER -0.046 -0.672 0.029 -0.195
Lc 1937 GLY 0.081 -0.797 0.081 N/A
Lc 1938 LYS 0.046 -0.542 -0.330 0.347
Lc 1939 LEU 0.054 -0.600 -0.141 0.249
Lc 1940 GLY -0.215 -0.626 -0.215 N/A
Lc 1941 ALA -0.333 -0.572 -0.446 0.119
Lc 1942 ILE -0.060 -0.513 0.168 -0.289
Lc 1943 PHE 0.046 -0.610 0.425 -0.171
Lc 1944 ASN 0.100 -0.650 0.016 0.183
Lc 1945 ALA 0.260 -0.050 0.280 0.178
Lc 1946 LEU 0.347 -0.271 0.631 0.064
Lc 1947 VAL 0.046 -0.724 -0.279 0.479
Lc 1948 PRO 0.287 -0.385 0.195 0.410
Lc 1949 ASP -0.050 -0.461 -0.053 -0.046
Lc 1950 ALA -0.560 -0.728 -0.526 -0.700
Lc 1951 LEU -0.070 -0.704 -0.479 0.340
Lc 1952 ARG 0.144 -0.426 -0.002 0.227
Lc 1953 PHE 0.177 -0.436 -0.001 0.279
Lc 1954 LEU -0.321 -0.793 -0.132 -0.510
Lc 1955 ARG -0.013 -0.688 -0.168 0.076
Lc 1956 LYS 0.119 -0.304 -0.024 0.233
Lc 1957 ASN -0.179 -0.605 -0.405 0.048
Lc 1958 LEU 0.019 -0.542 0.067 -0.029
Lc 1959 LYS -0.348 -0.625 -0.460 -0.259
Lc 1960 GLU -0.372 -0.662 -0.455 -0.305
Lc 1961 THR -0.017 -0.462 0.066 -0.128
Lc 1962 VAL 0.092 -0.852 0.518 -0.475
Lc 1963 THR 0.245 -0.437 0.018 0.548
Lc 1964 THR -0.154 -0.745 0.207 -0.636
Lc 1965 VAL -0.029 -0.677 0.085 -0.181
Lc 1966 ASN -0.169 -0.556 -0.339 -0.000
Lc 1967 ASN -0.297 -0.604 -0.185 -0.409
Lc 1968 ASN -0.012 -0.263 -0.069 0.046
Lc 1969 LEU -0.282 -0.649 -0.213 -0.350
Lc 1970 VAL -0.228 -0.564 -0.086 -0.418
Lc 1971 ALA 0.354 -0.128 0.357 0.343
Lc 1972 SER 0.324 0.055 0.381 0.210
Lc 1973 CYS 0.011 -0.426 -0.054 0.140
Lc 1974 PHE -0.060 -0.533 -0.162 -0.002
Lc 1975 GLY 0.299 0.110 0.299 N/A
Lc 1976 LEU 0.244 -0.105 0.303 0.186
Lc 1977 MET -0.154 -0.308 -0.138 -0.170
Lc 1978 ASP 0.028 -0.543 -0.248 0.305
Lc 1979 SER 0.474 -0.044 0.452 0.516
Lc 1980 LEU 0.339 -0.026 0.468 0.209
Lc 1981 THR 0.247 -0.459 0.602 -0.227
Lc 1982 LYS -0.095 -0.535 -0.113 -0.082
Lc 1983 PRO 0.254 -0.299 0.084 0.481
Lc 1984 PHE 0.207 -0.568 -0.144 0.408
Lc 1985 VAL -0.548 -0.867 -0.449 -0.681
Lc 1986 ARG -0.301 -0.789 -0.268 -0.320
Lc 1987 GLY -0.066 -0.142 -0.066 N/A
Lc 1988 GLU 0.042 -0.320 0.329 -0.187
Lc 1989 GLY 0.099 -0.165 0.099 N/A
Lc 1990 GLU -0.074 -0.568 0.227 -0.315
Lc 1991 ASP 0.135 -0.344 -0.072 0.341
Lc 1992 PRO 0.063 -0.491 -0.250 0.480
Lc 1993 LEU 0.083 -0.524 -0.021 0.188
Lc 1994 THR -0.204 -0.564 -0.360 0.004
Lc 1995 ALA 0.364 -0.048 0.293 0.648
Lc 1996 ASP -0.179 -0.681 -0.515 0.157
Lc 1997 GLU 0.282 -0.324 0.509 0.100
Lc 1998 LYS -0.044 -0.510 -0.221 0.097
Lc 1999 VAL 0.265 -0.537 0.585 -0.162
Lc 2000 LYS 0.106 -0.735 -0.033 0.218
Lc 2001 LEU -0.303 -0.851 0.062 -0.667
Lc 2002 GLY -0.290 -0.672 -0.290 N/A
Lc 2003 GLY 0.274 -0.121 0.274 N/A
Lc 2004 PHE 0.087 -0.479 -0.349 0.336
Lc 2005 LEU -0.116 -0.848 -0.310 0.079
Lc 2006 PRO -0.043 -0.743 -0.332 0.343
Lc 2007 SER -0.184 -0.725 -0.324 0.097
Lc 2008 LEU 0.258 -0.198 0.318 0.197
Lc 2009 MET -0.005 -0.476 0.169 -0.178
Lc 2010 LEU 0.025 -0.532 0.298 -0.249
Lc 2011 PHE 0.058 -0.314 -0.127 0.163
Lc 2012 SER -0.373 -0.605 -0.348 -0.423
Lc 2013 ILE -0.017 -0.271 0.114 -0.148
Lc 2014 VAL -0.123 -0.680 -0.398 0.243
Lc 2015 TRP 0.037 -0.739 0.053 0.030
Lc 2016 SER -0.242 -0.475 -0.364 0.004
Lc 2017 LEU -0.054 -0.327 -0.180 0.072
Lc 2018 GLY -0.092 -0.422 -0.092 N/A
Lc 2019 ALA 0.191 -0.196 0.138 0.404
Lc 2020 SER 0.289 0.026 0.321 0.226
Lc 2021 CYS -0.001 -0.166 0.073 -0.148
Lc 2022 ASP 0.261 -0.121 0.351 0.171
Lc 2023 LYS -0.024 -0.549 0.197 -0.200
Lc 2024 ALA -0.175 -0.432 -0.111 -0.432
Lc 2025 GLY 0.190 -0.422 0.190 N/A
Lc 2026 ARG -0.006 -0.416 0.014 -0.017
Lc 2027 THR -0.097 -0.600 -0.269 0.133
Lc 2028 LEU 0.053 -0.454 0.067 0.038
Lc 2029 PHE 0.110 -0.463 0.349 -0.026
Lc 2030 ASP -0.188 -0.661 -0.482 0.106
Lc 2031 GLU -0.142 -0.606 0.066 -0.308
Lc 2032 TRP -0.061 -0.775 -0.400 0.075
Lc 2033 PHE 0.183 -0.210 0.144 0.205
Lc 2034 ARG -0.253 -0.570 -0.272 -0.243
Lc 2035 LYS -0.250 -0.661 -0.240 -0.258
Lc 2036 HIS -0.034 -0.571 0.461 -0.364
Lc 2037 ALA -0.218 -0.737 -0.103 -0.676
Lc 2038 ALA 0.264 0.191 0.226 0.416
Lc 2039 GLU 0.201 -0.339 0.010 0.353
Lc 2040 CYS 0.173 -0.170 0.196 0.127
Lc 2041 GLY 0.508 0.303 0.508 N/A
Lc 2042 LEU -0.191 -0.598 -0.042 -0.341
Lc 2043 PRO 0.110 -0.740 -0.220 0.550
Lc 2044 LEU 0.029 -0.622 0.113 -0.056
Lc 2045 GLU 0.021 -0.503 -0.248 0.236
Lc 2046 GLY 0.135 0.057 0.135 N/A
Lc 2047 ALA 0.063 -0.315 -0.023 0.409
Lc 2048 MET 0.228 -0.536 -0.065 0.520
Lc 2049 PHE 0.048 -0.477 0.141 -0.005
Lc 2050 PRO 0.415 0.210 0.438 0.384
Lc 2051 GLY -0.062 -0.335 -0.062 N/A
Lc 2052 GLU -0.531 -0.682 -0.627 -0.453
Lc 2053 GLY 0.318 -0.440 0.318 N/A
Lc 2054 THR -0.287 -0.684 -0.380 -0.162
Lc 2055 VAL 0.082 -0.427 0.301 -0.211
Lc 2056 TYR 0.184 -0.256 0.215 0.169
Lc 2057 ASP -0.046 -0.713 0.450 -0.542
Lc 2058 TRP -0.377 -0.750 -0.252 -0.427
Lc 2059 VAL 0.016 -0.563 0.036 -0.009
Lc 2060 TYR 0.183 -0.639 0.024 0.262
Lc 2061 ASP 0.184 -0.285 0.273 0.095
Lc 2062 THR 0.144 -0.186 0.037 0.287
Lc 2063 ASP -0.213 -0.754 -0.230 -0.197
Lc 2064 GLY 0.127 -0.148 0.127 N/A
Lc 2065 THR 0.035 -0.500 -0.153 0.285
Lc 2066 PHE 0.200 -0.535 0.367 0.104
Lc 2067 ALA 0.313 -0.030 0.279 0.450
Lc 2068 GLU 0.213 -0.194 0.070 0.328
Lc 2069 GLY 0.267 0.036 0.267 N/A
Lc 2070 GLY 0.000 -0.501 0.000 N/A
Lc 2071 ALA -0.454 -0.630 -0.425 -0.570
Lc 2072 PRO 0.131 -0.402 0.334 -0.140
Lc 2073 GLY 0.217 0.034 0.217 N/A
Lc 2074 TRP -0.051 -0.641 -0.135 -0.017
Lc 2075 VAL 0.128 -0.264 0.276 -0.070
Lc 2076 GLY -0.026 -0.433 -0.026 N/A
Lc 2077 TRP 0.069 -0.347 -0.062 0.121
Lc 2078 MET 0.439 -0.474 0.499 0.379
Lc 2079 ALA 0.203 -0.014 0.234 0.078
Lc 2080 THR 0.020 -0.473 0.149 -0.152
Lc 2081 VAL 0.243 -0.169 0.339 0.115
Lc 2082 PRO -0.142 -0.726 -0.114 -0.179
Lc 2083 GLU -0.337 -0.635 -0.294 -0.372
Lc 2084 PHE -0.097 -0.601 0.007 -0.157
Lc 2085 LYS 0.103 -0.498 0.117 0.091
Lc 2086 CYS 0.408 0.184 0.377 0.470
Lc 2087 ASP 0.120 -0.434 -0.255 0.495
Lc 2088 PRO 0.071 -0.486 -0.118 0.325
Lc 2089 ASP 0.116 -0.400 -0.015 0.247
Lc 2090 ARG 0.007 -0.817 -0.132 0.087
Lc 2091 PRO 0.167 -0.372 0.127 0.221
Lc 2092 PHE 0.089 -0.463 0.160 0.048
Lc 2093 SER -0.116 -0.567 -0.363 0.378
Lc 2094 GLU 0.159 -0.513 0.528 -0.136
Lc 2095 ILE -0.102 -0.508 -0.124 -0.080
Lc 2096 ILE -0.104 -0.520 -0.224 0.016
Lc 2097 VAL -0.309 -0.842 -0.183 -0.476
Lc 2098 PRO -0.319 -0.700 -0.392 -0.221
Lc 2099 THR -0.084 -0.488 0.107 -0.339
Lc 2100 ALA 0.163 -0.133 0.139 0.262
Lc 2101 ASP 0.378 0.112 0.378 0.378
Lc 2102 THR 0.231 -0.565 0.026 0.503
Lc 2103 VAL -0.269 -0.713 -0.252 -0.291
Lc 2104 ARG 0.272 -0.219 0.084 0.379
Lc 2105 TYR 0.209 -0.332 0.002 0.313
Lc 2106 THR -0.274 -0.573 -0.402 -0.104
Lc 2107 TYR 0.079 -0.412 -0.128 0.183
Lc 2108 VAL 0.151 -0.425 -0.189 0.604
Lc 2109 VAL -0.236 -0.713 -0.445 0.042
Lc 2110 ASP -0.124 -0.586 0.096 -0.345
Lc 2111 LYS -0.041 -0.380 -0.127 0.027
Lc 2112 LEU 0.267 -0.729 0.325 0.208
Lc 2113 VAL -0.211 -0.590 -0.094 -0.367
Lc 2114 ALA -0.461 -0.751 -0.444 -0.528
Lc 2115 ASN -0.088 -0.579 -0.155 -0.020
Lc 2116 GLN 0.252 -0.471 -0.076 0.514
Lc 2117 ARG 0.234 -0.592 0.637 0.004
Lc 2118 HIS 0.032 -0.415 0.186 -0.071
Lc 2119 VAL 0.005 -0.789 -0.282 0.386
Lc 2120 LEU -0.364 -0.831 -0.637 -0.090
Lc 2121 CYS -0.344 -0.722 -0.551 0.070
Lc 2122 VAL 0.060 -0.501 0.305 -0.266
Lc 2123 GLY 0.036 -0.337 0.036 N/A
Lc 2124 GLU 0.139 -0.644 -0.019 0.266
Lc 2125 THR -0.072 -0.517 0.023 -0.198
Lc 2126 GLY -0.433 -0.756 -0.433 N/A
Lc 2127 THR 0.075 -0.232 -0.021 0.204
Lc 2128 GLY 0.279 -0.028 0.279 N/A
Lc 2129 LYS 0.032 -0.658 -0.330 0.322
Lc 2130 THR 0.166 -0.524 0.223 0.089
Lc 2131 LEU -0.007 -0.693 0.088 -0.102
Lc 2132 ASN -0.085 -0.712 -0.074 -0.097
Lc 2133 VAL 0.362 -0.201 0.478 0.207
Lc 2134 SER 0.350 0.148 0.311 0.426
Lc 2135 ASN 0.271 -0.166 0.449 0.092
Lc 2136 LYS 0.051 -0.533 -0.337 0.362
Lc 2137 LEU -0.241 -0.682 -0.260 -0.223
Lc 2138 LEU -0.342 -0.651 -0.300 -0.383
Lc 2139 ASN -0.075 -0.587 -0.170 0.021
Lc 2140 ASP -0.322 -0.745 -0.189 -0.455
Lc 2141 MET -0.155 -0.573 -0.101 -0.209
Lc 2142 PRO 0.087 -0.242 0.282 -0.173
Lc 2143 PRO 0.358 -0.483 0.221 0.541
Lc 2144 GLU -0.420 -0.746 -0.568 -0.302
Lc 2145 VAL -0.222 -0.777 -0.284 -0.140
Lc 2146 GLN -0.390 -0.748 -0.334 -0.435
Lc 2147 PRO 0.364 -0.108 0.203 0.578
Lc 2148 VAL 0.117 -0.425 0.169 0.047
Lc 2149 PHE -0.095 -0.516 -0.250 -0.006
Lc 2150 MET -0.124 -0.702 -0.229 -0.018
Lc 2151 THR 0.064 -0.358 0.130 -0.023
Lc 2152 PHE -0.315 -0.682 -0.537 -0.189
Lc 2153 SER -0.209 -0.792 -0.530 0.432
Lc 2154 ALA -0.016 -0.514 -0.203 0.731
Lc 2155 ARG 0.446 -0.095 0.417 0.463
Lc 2156 THR -0.027 -0.341 -0.168 0.161
Lc 2157 SER -0.064 -0.273 0.006 -0.204
Lc 2158 ALA -0.160 -0.511 -0.299 0.394
Lc 2159 ASN 0.069 -0.602 0.342 -0.203
Lc 2160 GLN -0.069 -0.744 0.270 -0.340
Lc 2161 THR -0.039 -0.646 -0.137 0.092
Lc 2162 GLN -0.427 -0.665 -0.505 -0.365
Lc 2163 ASP 0.082 -0.432 -0.213 0.377
Lc 2164 ILE 0.327 -0.190 0.434 0.221
Lc 2165 ILE 0.107 -0.569 0.286 -0.073
Lc 2166 ASP -0.118 -0.593 -0.007 -0.228
Lc 2167 ALA 0.313 -0.067 0.338 0.214
Lc 2168 LYS 0.234 -0.590 -0.111 0.511
Lc 2169 MET 0.110 -0.736 0.046 0.175
Lc 2170 ASP 0.198 -0.157 0.264 0.131
Lc 2171 LYS 0.139 -0.505 0.206 0.085
Lc 2172 ARG 0.002 -0.571 0.251 -0.140
Lc 2173 ARG 0.356 -0.069 0.585 0.225
Lc 2174 LYS -0.019 -0.629 -0.299 0.204
Lc 2175 GLY -0.301 -0.609 -0.301 N/A
Lc 2176 VAL 0.062 -0.483 -0.100 0.278
Lc 2177 PHE 0.272 -0.218 0.065 0.390
Lc 2178 GLY 0.230 -0.017 0.230 N/A
Lc 2179 PRO 0.174 -0.282 0.044 0.348
Lc 2180 PRO -0.023 -0.525 -0.374 0.446
Lc 2181 ALA -0.054 -0.314 -0.046 -0.088
Lc 2182 GLY -0.281 -0.419 -0.281 N/A
Lc 2183 LYS -0.204 -0.797 -0.195 -0.210
Lc 2184 ARG 0.244 -0.314 0.359 0.178
Lc 2185 MET 0.011 -0.353 0.031 -0.009
Lc 2186 VAL -0.077 -0.499 -0.354 0.292
Lc 2187 ILE -0.139 -0.498 -0.229 -0.048
Lc 2188 PHE -0.074 -0.588 -0.098 -0.060
Lc 2189 ILE -0.070 -0.659 0.189 -0.329
Lc 2190 ASP 0.271 -0.214 0.338 0.203
Lc 2191 ASP 0.054 -0.502 -0.149 0.258
Lc 2192 LEU 0.254 -0.433 0.386 0.122
Lc 2193 ASN -0.162 -0.664 -0.496 0.172
Lc 2194 MET 0.068 -0.281 0.081 0.056
Lc 2195 PRO -0.113 -0.428 -0.028 -0.227
Lc 2196 GLN 0.178 -0.345 0.303 0.078
Lc 2197 ARG 0.105 -0.326 0.080 0.119
Lc 2198 GLU 0.040 -0.438 -0.127 0.174
Lc 2199 LYS 0.092 -0.637 0.330 -0.099
Lc 2200 TYR 0.240 -0.604 0.519 0.100
Lc 2201 PHE 0.188 -0.250 -0.029 0.311
Lc 2202 ALA 0.013 -0.648 -0.105 0.488
Lc 2203 GLN -0.030 -0.463 0.002 -0.056
Lc 2204 PRO -0.474 -0.776 -0.625 -0.271
Lc 2205 PRO -0.101 -0.748 -0.497 0.426
Lc 2206 ILE 0.146 -0.442 0.206 0.085
Lc 2207 GLU 0.370 -0.095 0.134 0.558
Lc 2208 LEU 0.301 -0.334 0.022 0.579
Lc 2209 LEU -0.147 -0.740 -0.185 -0.109
Lc 2210 ARG 0.050 -0.722 -0.536 0.385
Lc 2211 GLN 0.077 -0.531 0.550 -0.302
Lc 2212 TRP -0.159 -0.777 -0.295 -0.104
Lc 2213 MET 0.138 -0.432 0.047 0.228
Lc 2214 ASP -0.032 -0.543 0.018 -0.081
Lc 2215 HIS -0.231 -0.417 -0.152 -0.284
Lc 2216 GLY -0.173 -0.542 -0.173 N/A
Lc 2217 GLY -0.263 -0.556 -0.263 N/A
Lc 2218 TRP -0.234 -0.646 -0.560 -0.103
Lc 2219 TYR -0.191 -0.669 -0.087 -0.243
Lc 2220 GLU -0.077 -0.606 -0.156 -0.014
Lc 2221 ARG -0.252 -0.700 -0.097 -0.341
Lc 2222 LYS -0.140 -0.765 -0.183 -0.106
Lc 2223 PRO 0.212 -0.045 0.197 0.231
Lc 2224 PRO -0.451 -0.593 -0.452 -0.450
Lc 2225 CYS 0.016 -0.544 0.089 -0.130
Lc 2226 PRO -0.025 -0.494 -0.157 0.152
Lc 2227 PHE 0.418 -0.139 0.224 0.529
Lc 2228 ARG -0.031 -0.772 0.325 -0.235
Lc 2229 THR -0.025 -0.645 -0.344 0.400
Lc 2230 ILE 0.040 -0.502 0.159 -0.079
Lc 2231 VAL -0.228 -0.462 -0.225 -0.231
Lc 2232 ASP 0.071 -0.683 0.566 -0.424
Lc 2233 THR 0.206 -0.162 0.315 0.062
Lc 2234 GLN 0.324 -0.317 0.470 0.207
Lc 2235 PHE -0.074 -0.725 0.235 -0.250
Lc 2236 VAL 0.406 -0.487 0.310 0.533
Lc 2237 ALA 0.071 -0.233 -0.036 0.496
Lc 2238 ALA 0.462 0.210 0.459 0.474
Lc 2239 MET 0.334 -0.204 0.369 0.300
Lc 2240 GLY -0.224 -0.687 -0.224 N/A
Lc 2241 PRO -0.343 -0.793 -0.119 -0.641
Lc 2242 PRO 0.071 -0.580 -0.136 0.346
Lc 2243 GLY -0.466 -0.707 -0.466 N/A
Lc 2244 GLY 0.224 -0.238 0.224 N/A
Lc 2245 GLY 0.406 0.327 0.406 N/A
Lc 2246 ARG -0.291 -0.827 -0.657 -0.083
Lc 2247 ASN 0.109 -0.682 -0.376 0.594
Lc 2248 PRO 0.230 -0.422 0.411 -0.012
Lc 2249 VAL 0.534 -0.026 0.569 0.488
Lc 2250 THR 0.062 -0.159 -0.075 0.244
Lc 2251 ASN 0.203 -0.496 -0.092 0.498
Lc 2252 ARG -0.084 -0.417 0.063 -0.168
Lc 2253 LEU 0.198 -0.334 -0.049 0.445
Lc 2254 LEU -0.410 -0.816 -0.346 -0.474
Lc 2255 ARG -0.135 -0.679 0.231 -0.345
Lc 2256 HIS 0.060 -0.688 0.550 -0.267
Lc 2257 PHE 0.013 -0.464 0.091 -0.032
Lc 2258 ASN 0.210 -0.153 0.220 0.200
Lc 2259 PHE 0.382 0.054 0.427 0.356
Lc 2260 ILE 0.081 -0.468 0.150 0.012
Lc 2261 SER -0.278 -0.803 -0.306 -0.223
Lc 2262 PHE -0.142 -0.751 -0.595 0.116
Lc 2263 THR -0.087 -0.493 -0.043 -0.147
Lc 2264 GLU -0.058 -0.648 -0.463 0.266
Lc 2265 MET -0.183 -0.717 -0.303 -0.062
Lc 2266 SER -0.181 -0.494 -0.107 -0.329
Lc 2267 ASP 0.249 -0.510 0.460 0.038
Lc 2268 SER -0.473 -0.645 -0.454 -0.512
Lc 2269 SER -0.212 -0.579 -0.030 -0.575
Lc 2270 VAL -0.004 -0.597 0.120 -0.168
Lc 2271 SER -0.052 -0.675 0.188 -0.532
Lc 2272 ARG 0.127 -0.556 0.165 0.105
Lc 2273 ILE 0.193 -0.115 0.071 0.314
Lc 2274 PHE 0.467 0.083 0.388 0.512
Lc 2275 THR -0.062 -0.566 -0.165 0.077
Lc 2276 THR -0.044 -0.441 -0.120 0.056
Lc 2277 ILE 0.040 -0.587 -0.331 0.411
Lc 2278 LEU -0.243 -0.848 -0.549 0.062
Lc 2279 GLY -0.213 -0.405 -0.213 N/A
Lc 2280 ALA -0.338 -0.495 -0.356 -0.269
Lc 2281 PHE 0.308 -0.093 0.353 0.283
Lc 2282 PHE 0.230 -0.516 0.220 0.236
Lc 2283 ARG 0.136 -0.318 -0.185 0.319
Lc 2284 LYS 0.199 -0.223 0.401 0.038
Lc 2285 TYR 0.069 -0.424 0.291 -0.042
Lc 2286 PHE -0.137 -0.401 -0.186 -0.109
Lc 2287 GLY -0.311 -0.475 -0.311 N/A
Lc 2288 ASP 0.043 -0.317 0.025 0.060
Lc 2289 ALA 0.281 -0.443 0.237 0.456
Lc 2290 ILE -0.370 -0.706 -0.331 -0.409
Lc 2291 GLN -0.104 -0.468 0.067 -0.240
Lc 2292 ALA 0.065 -0.049 0.078 0.014
Lc 2293 LEU -0.232 -0.636 -0.434 -0.031
Lc 2294 THR 0.203 -0.736 0.550 -0.261
Lc 2295 ASP -0.141 -0.632 -0.450 0.167
Lc 2296 PRO 0.247 -0.500 0.189 0.324
Lc 2297 VAL 0.002 -0.398 -0.188 0.254
Lc 2298 VAL 0.140 -0.191 0.277 -0.041
Lc 2299 THR -0.298 -0.797 -0.606 0.113
Lc 2300 ALA -0.500 -0.622 -0.509 -0.465
Lc 2301 THR -0.020 -0.509 0.210 -0.327
Lc 2302 VAL 0.012 -0.413 0.033 -0.016
Lc 2303 ARG -0.076 -0.883 -0.245 0.020
Lc 2304 LEU 0.311 -0.007 0.386 0.236
Lc 2305 TYR 0.067 -0.436 -0.128 0.165
Lc 2306 ASN -0.208 -0.615 -0.034 -0.382
Lc 2307 SER -0.456 -0.668 -0.514 -0.339
Lc 2308 ILE -0.054 -0.809 0.009 -0.117
Lc 2309 ARG -0.120 -0.692 0.155 -0.277
Lc 2310 ALA -0.327 -0.665 -0.311 -0.387
Lc 2311 GLU -0.058 -0.443 0.035 -0.132
Lc 2312 LEU 0.156 -0.675 0.541 -0.229
Lc 2313 LEU -0.020 -0.522 -0.009 -0.031
Lc 2314 PRO -0.062 -0.350 -0.072 -0.050
Lc 2315 THR -0.105 -0.589 -0.154 -0.039
Lc 2316 PRO 0.253 -0.035 0.173 0.359
Lc 2317 THR -0.384 -0.687 -0.307 -0.487
Lc 2318 ARG 0.068 -0.578 -0.158 0.197
Lc 2319 SER 0.372 0.273 0.376 0.365
Lc 2320 HIS 0.438 0.014 0.183 0.608
Lc 2321 TYR 0.139 -0.269 0.102 0.157
Lc 2322 THR 0.088 -0.283 -0.033 0.249
Lc 2323 PHE 0.048 -0.547 0.149 -0.010
Lc 2324 ASN -0.119 -0.571 -0.024 -0.214
Lc 2325 LEU -0.125 -0.661 0.129 -0.379
Lc 2326 ARG 0.127 -0.661 -0.248 0.341
Lc 2327 ASP 0.069 -0.608 -0.310 0.448
Lc 2328 LEU -0.051 -0.475 -0.345 0.244
Lc 2329 SER -0.108 -0.563 -0.043 -0.236
Lc 2330 LYS 0.396 0.068 0.625 0.212
Lc 2331 VAL -0.309 -0.611 -0.238 -0.403
Lc 2332 VAL 0.135 -0.392 -0.000 0.316
Lc 2333 GLN 0.099 -0.272 -0.053 0.220
Lc 2334 GLY -0.125 -0.470 -0.125 N/A
Lc 2335 VAL -0.083 -0.720 -0.461 0.421
Lc 2336 MET -0.162 -0.663 -0.186 -0.139
Lc 2337 ARG 0.286 -0.116 0.213 0.327
Lc 2338 ALA -0.307 -0.513 -0.403 0.079
Lc 2339 ASP 0.129 -0.406 0.113 0.146
Lc 2340 PRO 0.373 -0.025 0.277 0.502
Lc 2341 ARG -0.073 -0.801 0.081 -0.161
Lc 2342 SER -0.101 -0.583 -0.408 0.512
Lc 2343 THR -0.108 -0.440 -0.096 -0.123
Lc 2344 GLY -0.232 -0.498 -0.232 N/A
Lc 2345 ASP -0.146 -0.369 -0.129 -0.162
Lc 2346 SER -0.138 -0.556 -0.133 -0.147
Lc 2347 LYS -0.205 -0.824 -0.070 -0.313
Lc 2348 GLN 0.031 -0.586 -0.289 0.287
Lc 2349 VAL -0.051 -0.379 0.096 -0.247
Lc 2350 LEU -0.218 -0.829 -0.387 -0.049
Lc 2351 SER 0.300 -0.409 0.226 0.449
Lc 2352 LEU 0.066 -0.443 0.448 -0.315
Lc 2353 TRP -0.024 -0.825 -0.303 0.087
Lc 2354 LEU 0.087 -0.295 0.092 0.083
Lc 2355 HIS -0.128 -0.426 -0.251 -0.047
Lc 2356 GLU -0.202 -0.609 -0.454 -0.001
Lc 2357 CYS -0.415 -0.645 -0.442 -0.360
Lc 2358 SER -0.111 -0.502 -0.415 0.497
Lc 2359 ARG -0.252 -0.604 -0.339 -0.203
Lc 2360 VAL 0.038 -0.287 0.109 -0.058
Lc 2361 PHE -0.081 -0.613 -0.099 -0.070
Lc 2362 GLU 0.528 0.360 0.472 0.573
Lc 2363 ASP 0.001 -0.598 0.056 -0.054
Lc 2364 ARG 0.194 -0.273 0.524 0.006
Lc 2365 LEU -0.000 -0.363 0.097 -0.098
Lc 2366 ILE 0.269 -0.163 0.483 0.054
Lc 2367 ASN -0.244 -0.621 -0.065 -0.422
Lc 2368 ASP 0.084 -0.493 -0.089 0.257
Lc 2369 GLU 0.016 -0.702 -0.194 0.184
Lc 2370 ASP 0.206 -0.490 -0.209 0.621
Lc 2371 HIS 0.268 -0.260 0.165 0.337
Lc 2372 GLY 0.052 -0.073 0.052 N/A
Lc 2373 TRP -0.071 -0.644 -0.243 -0.002
Lc 2374 PHE -0.054 -0.627 0.280 -0.244
Lc 2375 ARG -0.062 -0.751 -0.026 -0.083
Lc 2376 ALA 0.455 0.067 0.552 0.067
Lc 2377 ARG 0.173 -0.757 0.420 0.032
Lc 2378 GLN 0.013 -0.448 0.003 0.021
Lc 2379 GLU 0.055 -0.508 -0.072 0.157
Lc 2380 ALA -0.046 -0.495 -0.060 0.011
Lc 2381 LEU 0.200 -0.270 0.064 0.337
Lc 2382 LEU -0.019 -0.717 0.440 -0.478
Lc 2383 THR 0.212 -0.177 -0.112 0.643
Lc 2384 GLU 0.336 -0.304 0.515 0.193
Lc 2385 ASN 0.475 0.199 0.566 0.384
Lc 2386 PHE -0.277 -0.672 -0.220 -0.310
Lc 2387 GLY 0.146 -0.105 0.146 N/A
Lc 2388 LEU -0.064 -0.704 -0.282 0.154
Lc 2389 GLY -0.089 -0.466 -0.089 N/A
Lc 2390 TYR -0.204 -0.769 -0.524 -0.044
Lc 2391 GLY -0.532 -0.706 -0.532 N/A
Lc 2392 ASP 0.033 -0.595 -0.088 0.155
Lc 2393 VAL -0.261 -0.602 -0.160 -0.396
Lc 2394 VAL 0.023 -0.326 -0.198 0.317
Lc 2395 THR -0.197 -0.551 -0.235 -0.145
Lc 2396 SER 0.340 0.049 0.473 0.074
Lc 2397 GLU -0.108 -0.617 0.272 -0.412
Lc 2398 ARG -0.131 -0.510 -0.265 -0.055
Lc 2399 LEU 0.201 -0.426 -0.051 0.453
Lc 2400 ILE -0.258 -0.591 -0.206 -0.310
Lc 2401 PHE -0.071 -0.720 -0.625 0.245
Lc 2402 GLY -0.012 -0.663 -0.012 N/A
Lc 2403 ASP -0.035 -0.780 -0.310 0.240
Lc 2404 PHE -0.005 -0.733 0.075 -0.050
Lc 2405 MET 0.298 -0.075 0.271 0.324
Lc 2406 VAL 0.050 -0.804 -0.399 0.649
Lc 2407 PRO -0.099 -0.569 -0.185 0.016
Lc 2408 GLY 0.089 -0.173 0.089 N/A
Lc 2409 ALA -0.318 -0.641 -0.423 0.102
Lc 2410 ASP -0.187 -0.430 -0.142 -0.231
Lc 2411 PRO 0.070 -0.215 0.179 -0.076
Lc 2412 ARG -0.143 -0.587 -0.130 -0.150
Lc 2413 VAL 0.253 -0.502 -0.014 0.609
Lc 2414 TYR 0.082 -0.709 -0.094 0.170
Lc 2415 SER -0.232 -0.632 -0.176 -0.345
Lc 2416 GLN -0.066 -0.576 0.192 -0.273
Lc 2417 ILE 0.351 0.103 0.441 0.262
Lc 2418 THR 0.010 -0.592 -0.034 0.069
Lc 2419 ASP -0.374 -0.734 -0.302 -0.447
Lc 2420 MET 0.040 -0.438 -0.092 0.171
Lc 2421 PRO -0.068 -0.428 -0.075 -0.059
Lc 2422 LYS -0.176 -0.513 -0.035 -0.289
Lc 2423 LEU -0.342 -0.647 -0.280 -0.404
Lc 2424 VAL 0.124 -0.498 0.130 0.116
Lc 2425 LYS 0.233 -0.273 0.306 0.174
Lc 2426 VAL 0.229 -0.223 0.234 0.222
Lc 2427 VAL -0.167 -0.816 -0.355 0.083
Lc 2428 GLU 0.008 -0.543 -0.118 0.108
Lc 2429 GLU 0.353 -0.336 0.212 0.466
Lc 2430 TYR -0.255 -0.742 -0.303 -0.231
Lc 2431 LEU 0.335 -0.563 0.113 0.558
Lc 2432 GLU -0.173 -0.802 0.255 -0.515
Lc 2433 ASP 0.392 0.010 0.478 0.306
Lc 2434 TYR -0.014 -0.428 0.217 -0.130
Lc 2435 ASN -0.136 -0.523 0.157 -0.430
Lc 2436 SER -0.065 -0.261 -0.064 -0.065
Lc 2437 VAL 0.046 -0.508 0.232 -0.203
Lc 2438 SER -0.188 -0.506 -0.055 -0.454
Lc 2439 SER 0.094 -0.417 0.139 0.004
Lc 2440 ALA 0.071 -0.363 0.059 0.120
Lc 2441 PRO 0.055 -0.209 -0.030 0.168
Lc 2442 MET -0.196 -0.824 -0.362 -0.029
Lc 2443 LYS -0.204 -0.759 -0.253 -0.164
Lc 2444 LEU -0.052 -0.473 0.108 -0.212
Lc 2445 VAL 0.060 -0.405 0.178 -0.099
Lc 2446 MET -0.155 -0.700 -0.299 -0.010
Lc 2447 PHE -0.093 -0.725 0.318 -0.328
Lc 2448 LEU 0.009 -0.443 -0.227 0.245
Lc 2449 ASP -0.173 -0.513 -0.044 -0.302
Lc 2450 ALA -0.049 -0.386 -0.177 0.461
Lc 2451 ILE -0.199 -0.734 -0.042 -0.357
Lc 2452 GLU 0.364 0.081 0.282 0.429
Lc 2453 HIS -0.108 -0.558 0.032 -0.201
Lc 2454 VAL -0.124 -0.586 -0.125 -0.121
Lc 2455 SER -0.351 -0.666 -0.289 -0.476
Lc 2456 ARG 0.044 -0.547 0.303 -0.105
Lc 2457 ILE -0.195 -0.636 -0.253 -0.137
Lc 2458 THR 0.153 -0.707 0.486 -0.292
Lc 2459 ARG 0.052 -0.513 -0.206 0.200
Lc 2460 VAL -0.077 -0.626 0.281 -0.554
Lc 2461 ILE 0.142 -0.213 0.330 -0.047
Lc 2462 ARG -0.004 -0.461 -0.077 0.037
Lc 2463 LEU -0.107 -0.473 -0.226 0.011
Lc 2464 PRO 0.089 -0.274 -0.129 0.379
Lc 2465 LEU -0.118 -0.582 -0.005 -0.231
Lc 2466 GLY -0.099 -0.264 -0.099 N/A
Lc 2467 ASN -0.345 -0.558 -0.238 -0.451
Lc 2468 ALA 0.117 -0.108 0.009 0.549
Lc 2469 LEU -0.030 -0.601 -0.122 0.062
Lc 2470 LEU 0.016 -0.645 0.510 -0.479
Lc 2471 LEU 0.292 -0.337 0.467 0.118
Lc 2472 GLY 0.304 -0.022 0.304 N/A
Lc 2473 VAL 0.017 -0.482 0.161 -0.174
Lc 2474 GLY -0.120 -0.300 -0.120 N/A
Lc 2475 GLY -0.276 -0.423 -0.276 N/A
Lc 2476 SER 0.108 -0.214 0.010 0.304
Lc 2477 GLY -0.616 -0.809 -0.616 N/A
Lc 2478 ARG 0.022 -0.301 0.033 0.015
Lc 2479 GLN -0.035 -0.412 0.215 -0.235
Lc 2480 SER 0.387 0.039 0.410 0.340
Lc 2481 LEU -0.096 -0.679 -0.047 -0.145
Lc 2482 THR -0.062 -0.340 -0.134 0.033
Lc 2483 ARG -0.045 -0.715 -0.247 0.070
Lc 2484 LEU -0.066 -0.579 -0.311 0.180
Lc 2485 ALA 0.277 -0.077 0.217 0.518
Lc 2486 ALA -0.387 -0.633 -0.412 -0.286
Lc 2487 TYR -0.144 -0.665 -0.039 -0.197
Lc 2488 MET 0.090 -0.283 0.037 0.143
Lc 2489 GLU 0.056 -0.529 -0.264 0.313
Lc 2490 GLU 0.289 -0.374 0.599 0.041
Lc 2491 TYR 0.070 -0.537 0.589 -0.190
Lc 2492 ASP -0.287 -0.433 -0.235 -0.339
Lc 2493 VAL 0.126 -0.473 0.316 -0.127
Lc 2494 VAL 0.092 -0.322 0.162 -0.002
Lc 2495 GLN 0.048 -0.664 -0.098 0.165
Lc 2496 ILE 0.016 -0.714 -0.039 0.070
Lc 2497 GLU 0.107 -0.617 0.055 0.148
Lc 2498 ILE -0.050 -0.546 0.019 -0.119
Lc 2499 ALA -0.277 -0.567 -0.360 0.056
Lc 2500 LYS -0.343 -0.687 -0.584 -0.151
Lc 2501 GLY 0.009 -0.565 0.009 N/A
Lc 2502 TYR -0.084 -0.622 0.123 -0.188
Lc 2503 GLY -0.327 -0.442 -0.327 N/A
Lc 2504 SER -0.292 -0.754 -0.481 0.086
Lc 2505 ASN -0.029 -0.726 -0.196 0.137
Lc 2506 GLU -0.081 -0.596 0.198 -0.303
Lc 2507 TRP -0.035 -0.808 0.078 -0.081
Lc 2508 ARG -0.083 -0.516 -0.127 -0.058
Lc 2509 ASP -0.099 -0.696 0.123 -0.322
Lc 2510 ASP 0.034 -0.845 -0.249 0.318
Lc 2511 LEU -0.006 -0.618 -0.374 0.361
Lc 2512 ARG 0.267 -0.400 0.333 0.228
Lc 2513 LYS -0.179 -0.698 -0.066 -0.270
Lc 2514 VAL 0.038 -0.354 0.161 -0.126
Lc 2515 LEU -0.155 -0.716 -0.126 -0.184
Lc 2516 ARG 0.092 -0.686 -0.277 0.303
Lc 2517 LYS 0.105 -0.719 -0.107 0.276
Lc 2518 THR -0.162 -0.688 -0.168 -0.154
Lc 2519 GLY -0.076 -0.215 -0.076 N/A
Lc 2520 LEU 0.121 -0.431 0.289 -0.047
Lc 2521 ASP -0.193 -0.781 -0.372 -0.014
Lc 2522 GLY 0.340 -0.007 0.340 N/A
Lc 2523 ARG 0.085 -0.542 0.022 0.121
Lc 2524 ASP 0.043 -0.518 0.093 -0.007
Lc 2525 THR 0.048 -0.444 -0.137 0.295
Lc 2526 VAL -0.078 -0.705 -0.124 -0.018
Lc 2527 PHE -0.198 -0.707 -0.414 -0.075
Lc 2528 LEU -0.303 -0.673 -0.608 0.003
Lc 2529 PHE 0.278 -0.231 0.080 0.391
Lc 2530 THR -0.080 -0.802 -0.469 0.439
Lc 2531 ASP -0.068 -0.524 0.234 -0.371
Lc 2532 THR 0.011 -0.468 0.207 -0.250
Lc 2533 GLN 0.248 -0.497 0.444 0.092
Lc 2534 ILE -0.156 -0.743 -0.127 -0.186
Lc 2535 VAL -0.175 -0.374 -0.209 -0.130
Lc 2536 GLN 0.043 -0.592 0.291 -0.156
Lc 2537 GLU 0.141 -0.351 0.058 0.207
Lc 2538 ASN -0.088 -0.641 0.105 -0.281
Lc 2539 PHE 0.361 -0.119 0.602 0.223
Lc 2540 LEU -0.249 -0.695 -0.366 -0.131
Lc 2541 GLU -0.034 -0.442 -0.161 0.068
Lc 2542 ASP -0.116 -0.597 0.090 -0.323
Lc 2543 ILE 0.331 -0.249 0.505 0.157
Lc 2544 ASN -0.114 -0.333 -0.141 -0.088
Lc 2545 ASN 0.162 -0.617 0.105 0.219
Lc 2546 ILE -0.134 -0.689 -0.184 -0.083
Lc 2547 LEU 0.009 -0.541 0.183 -0.165
Lc 2548 ASN 0.275 -0.153 0.348 0.202
Lc 2549 SER 0.328 -0.048 0.355 0.273
Lc 2550 GLY 0.267 -0.078 0.267 N/A
Lc 2551 GLU 0.001 -0.323 -0.220 0.178
Lc 2552 VAL 0.127 -0.551 0.122 0.134
Lc 2553 PRO 0.040 -0.575 0.166 -0.127
Lc 2554 ASN 0.540 0.277 0.529 0.550
Lc 2555 LEU 0.091 -0.383 -0.069 0.252
Lc 2556 TRP -0.164 -0.665 0.198 -0.309
Lc 2557 GLY -0.351 -0.653 -0.351 N/A
Lc 2558 ASN -0.234 -0.720 -0.363 -0.104
Lc 2559 ASP -0.186 -0.700 0.074 -0.446
Lc 2560 ASP 0.151 -0.375 0.554 -0.252
Lc 2561 GLN 0.006 -0.285 0.054 -0.032
Lc 2562 GLU 0.142 -0.335 0.079 0.192
Lc 2563 ALA -0.177 -0.480 -0.294 0.290
Lc 2564 ILE -0.096 -0.342 -0.092 -0.099
Lc 2565 ALA 0.456 0.181 0.386 0.736
Lc 2566 ASN -0.135 -0.616 0.110 -0.380
Lc 2567 ALA 0.137 -0.177 0.043 0.515
Lc 2568 MET -0.023 -0.621 0.190 -0.236
Lc 2569 ARG -0.294 -0.618 -0.268 -0.309
Lc 2570 PRO 0.041 -0.326 0.192 -0.161
Lc 2571 LEU 0.070 -0.626 0.495 -0.355
Lc 2572 MET -0.173 -0.674 -0.226 -0.119
Lc 2573 ALA -0.418 -0.638 -0.444 -0.314
Lc 2574 ALA -0.414 -0.717 -0.536 0.074
Lc 2575 ALA 0.110 -0.506 0.066 0.283
Lc 2576 GLY -0.219 -0.734 -0.219 N/A
Lc 2577 LEU -0.102 -0.390 0.088 -0.293
Lc 2578 PRO -0.143 -0.451 -0.284 0.044
Lc 2579 ILE -0.050 -0.727 -0.597 0.497
Lc 2580 THR -0.142 -0.479 0.059 -0.410
Lc 2581 LYS 0.372 -0.062 0.526 0.248
Lc 2582 MET 0.143 -0.191 0.221 0.064
Lc 2583 GLY 0.308 -0.091 0.308 N/A
Lc 2584 ILE -0.393 -0.751 -0.159 -0.627
Lc 2585 SER -0.357 -0.622 -0.464 -0.143
Lc 2586 THR 0.021 -0.564 -0.188 0.300
Lc 2587 PHE 0.178 -0.405 0.053 0.249
Lc 2588 PHE -0.182 -0.649 -0.036 -0.265
Lc 2589 ILE -0.404 -0.658 -0.521 -0.288
Lc 2590 ASN -0.011 -0.635 -0.169 0.147
Lc 2591 ARG 0.011 -0.566 0.231 -0.115
Lc 2592 VAL 0.161 -0.242 0.154 0.170
Lc 2593 ARG 0.079 -0.781 0.538 -0.182
Lc 2594 SER 0.190 -0.029 0.251 0.069
Lc 2595 TYR -0.153 -0.810 -0.032 -0.214
Lc 2596 LEU 0.152 -0.421 0.313 -0.008
Lc 2597 HIS -0.042 -0.749 0.179 -0.190
Lc 2598 VAL -0.056 -0.700 -0.317 0.293
Lc 2599 VAL 0.089 -0.309 0.050 0.141
Lc 2600 LEU 0.050 -0.380 0.083 0.017
Lc 2601 CYS 0.383 -0.246 0.511 0.125
Lc 2602 PHE -0.266 -0.750 -0.472 -0.148
Lc 2603 SER -0.469 -0.569 -0.457 -0.494
Lc 2604 PRO 0.141 -0.147 0.153 0.126
Lc 2605 ILE 0.141 -0.615 0.638 -0.355
Lc 2606 GLY -0.338 -0.685 -0.338 N/A
Lc 2607 ASP -0.078 -0.683 -0.452 0.295
Lc 2608 ALA -0.134 -0.608 -0.277 0.440
Lc 2609 PHE 0.130 -0.409 -0.188 0.312
Lc 2610 ARG 0.239 -0.508 0.088 0.325
Lc 2611 GLN -0.076 -0.768 0.369 -0.432
Lc 2612 ARG -0.120 -0.671 -0.259 -0.041
Lc 2613 LEU -0.161 -0.380 -0.116 -0.206
Lc 2614 ARG 0.031 -0.633 0.195 -0.063
Lc 2615 MET -0.087 -0.716 -0.105 -0.069
Lc 2616 PHE -0.362 -0.760 -0.405 -0.338
Lc 2617 PRO -0.107 -0.596 -0.231 0.058
Lc 2618 SER -0.186 -0.695 -0.474 0.391
Lc 2619 LEU -0.367 -0.620 -0.534 -0.200
Lc 2620 VAL -0.125 -0.428 -0.026 -0.258
Lc 2621 ASN -0.153 -0.592 -0.449 0.142
Lc 2622 CYS -0.265 -0.740 -0.278 -0.239
Lc 2623 CYS -0.100 -0.747 -0.370 0.440
Lc 2624 THR -0.043 -0.593 0.133 -0.279
Lc 2625 ILE -0.149 -0.734 -0.470 0.172
Lc 2626 ASP -0.250 -0.843 0.136 -0.637
Lc 2627 TRP 0.498 -0.313 0.409 0.533
Lc 2628 PHE -0.187 -0.610 -0.254 -0.148
Lc 2629 ARG -0.092 -0.664 -0.299 0.026
Lc 2630 GLU -0.352 -0.717 -0.159 -0.506
Lc 2631 TRP 0.224 -0.299 0.438 0.138
Lc 2632 PRO -0.031 -0.533 -0.092 0.051
Lc 2633 GLU 0.212 -0.130 0.180 0.237
Lc 2634 GLU 0.172 -0.259 0.596 -0.166
Lc 2635 ALA 0.131 -0.220 0.138 0.106
Lc 2636 LEU 0.034 -0.185 -0.064 0.133
Lc 2637 ARG 0.142 -0.432 -0.043 0.248
Lc 2638 SER 0.028 -0.345 0.144 -0.202
Lc 2639 VAL 0.289 -0.047 0.343 0.216
Lc 2640 ALA -0.136 -0.577 -0.161 -0.038
Lc 2641 ASP 0.083 -0.340 0.166 0.000
Lc 2642 SER 0.161 -0.134 0.011 0.461
Lc 2643 PHE -0.177 -0.850 0.077 -0.323
Lc 2644 TYR -0.018 -0.667 -0.151 0.049
Lc 2645 GLY -0.313 -0.714 -0.313 N/A
Lc 2646 ASP 0.047 -0.774 0.393 -0.300
Lc 2647 VAL -0.197 -0.699 -0.165 -0.240
Lc 2648 ASP -0.025 -0.380 -0.173 0.123
Lc 2649 PHE 0.269 -0.423 0.501 0.136
Lc 2650 GLY -0.227 -0.413 -0.227 N/A
Lc 2651 ASP 0.286 -0.345 -0.081 0.652
Lc 2652 ASP -0.370 -0.681 -0.414 -0.327
Lc 2653 THR 0.008 -0.554 0.235 -0.295
Lc 2654 GLY 0.194 -0.165 0.194 N/A
Lc 2655 ALA 0.243 -0.096 0.169 0.540
Lc 2656 ILE 0.006 -0.402 0.076 -0.063
Lc 2657 MET -0.237 -0.765 -0.549 0.075
Lc 2658 ALA 0.155 -0.435 0.133 0.246
Lc 2659 GLY -0.253 -0.500 -0.253 N/A
Lc 2660 VAL 0.100 -0.514 -0.010 0.246
Lc 2661 VAL 0.266 -0.547 -0.079 0.726
Lc 2662 ASP -0.071 -0.757 -0.340 0.198
Lc 2663 CYS 0.013 -0.367 -0.035 0.109
Lc 2664 CYS 0.251 -0.249 0.378 -0.002
Lc 2665 VAL -0.011 -0.732 -0.107 0.117
Lc 2666 GLY -0.171 -0.567 -0.171 N/A
Lc 2667 VAL 0.132 -0.240 0.143 0.118
Lc 2668 HIS -0.346 -0.671 -0.062 -0.534
Lc 2669 GLN -0.363 -0.687 -0.293 -0.419
Lc 2670 SER 0.161 -0.046 0.154 0.175
Lc 2671 VAL -0.426 -0.729 -0.354 -0.521
Lc 2672 GLU -0.306 -0.734 -0.376 -0.249
Lc 2673 LYS -0.092 -0.724 -0.423 0.173
Lc 2674 LYS 0.134 -0.341 0.100 0.161
Lc 2675 SER 0.199 0.009 0.293 0.011
Lc 2676 LYS 0.134 -0.695 -0.025 0.261
Lc 2677 LYS 0.340 -0.333 0.066 0.559
Lc 2678 PHE 0.079 -0.681 -0.225 0.254
Lc 2679 TYR -0.127 -0.696 -0.162 -0.110
Lc 2680 ASP -0.039 -0.730 0.259 -0.338
Lc 2681 GLU 0.155 -0.600 0.267 0.065
Lc 2682 LEU 0.156 -0.620 0.478 -0.166
Lc 2683 ARG -0.077 -0.542 0.202 -0.237
Lc 2684 ARG 0.482 0.097 0.466 0.491
Lc 2685 TYR 0.172 -0.314 0.265 0.125
Lc 2686 ASN 0.249 -0.554 0.094 0.405
Lc 2687 TYR -0.249 -0.586 -0.442 -0.152
Lc 2688 VAL -0.237 -0.774 -0.133 -0.376
Lc 2689 THR -0.374 -0.649 -0.559 -0.128
Lc 2690 PRO 0.156 -0.065 0.197 0.101
Lc 2691 THR -0.046 -0.584 0.300 -0.507
Lc 2692 SER -0.003 -0.589 -0.154 0.299
Lc 2693 TYR -0.092 -0.695 0.332 -0.304
Lc 2694 LEU 0.312 -0.186 0.343 0.282
Lc 2695 GLU -0.163 -0.737 -0.116 -0.201
Lc 2696 LEU -0.111 -0.770 -0.270 0.048
Lc 2697 LEU -0.445 -0.642 -0.330 -0.560
Lc 2698 THR 0.147 -0.576 0.189 0.090
Lc 2699 THR 0.148 -0.430 0.256 0.004
Lc 2700 PHE 0.233 -0.446 0.493 0.084
Lc 2701 ILE -0.130 -0.615 -0.045 -0.214
Lc 2702 LYS -0.199 -0.429 -0.168 -0.224
Lc 2703 LEU -0.137 -0.766 -0.466 0.192
Lc 2704 LEU 0.043 -0.646 -0.400 0.485
Lc 2705 GLY -0.368 -0.467 -0.368 N/A
Lc 2706 GLU -0.200 -0.681 -0.502 0.041
Lc 2707 LYS -0.200 -0.591 -0.232 -0.174
Lc 2708 ARG 0.055 -0.718 -0.248 0.228
Lc 2709 THR 0.029 -0.399 0.202 -0.202
Lc 2710 GLU -0.031 -0.564 0.161 -0.184
Lc 2711 ILE -0.048 -0.609 0.024 -0.120
Lc 2712 ALA 0.337 -0.603 0.273 0.596
Lc 2713 GLU -0.188 -0.710 0.092 -0.413
Lc 2714 LYS -0.200 -0.637 -0.525 0.059
Lc 2715 ARG -0.190 -0.642 -0.394 -0.074
Lc 2716 ARG 0.164 -0.660 -0.420 0.498
Lc 2717 ARG -0.184 -0.729 -0.465 -0.023
Lc 2718 LEU -0.282 -0.614 -0.189 -0.376
Lc 2719 GLU -0.077 -0.724 0.041 -0.171
Lc 2720 VAL 0.170 -0.285 0.142 0.208
Lc 2721 GLY -0.011 -0.566 -0.011 N/A
Lc 2722 LEU 0.136 -0.587 0.637 -0.365
Lc 2723 GLN 0.301 -0.633 -0.215 0.714
Lc 2724 LYS -0.053 -0.626 -0.206 0.069
Lc 2725 LEU 0.154 -0.513 0.254 0.053
Lc 2726 LEU -0.335 -0.736 -0.349 -0.320
Lc 2727 ASN 0.016 -0.435 0.234 -0.203
Lc 2728 THR -0.048 -0.275 0.032 -0.154
Lc 2729 ALA -0.288 -0.753 -0.233 -0.509
Lc 2730 GLY 0.271 -0.175 0.271 N/A
Lc 2731 GLN 0.162 -0.385 0.191 0.139
Lc 2732 VAL -0.127 -0.685 -0.131 -0.120
Lc 2733 GLU 0.122 -0.285 0.008 0.213
Lc 2734 VAL "N/A" "N\A" "N/A" "N/A"
Traceback (most recent call last):
File "/home/em301/.local/share/ChimeraX/1.9/lib/python3.11/site-
packages/chimerax/qscore/ui.py", line 248, in recalc
residue_map, (query_atoms, atom_scores) = run_chimerax_command(self.session,
f'qscore #{m.id_string} to #{v.id_string} useGui false pointsPerShell
{self.points_per_shell} shellRadiusStep {self.shell_radius_step:.3f}
maxShellRadius {self.max_shell_radius:.2f} referenceGaussianSigma
{self.reference_sigma:.2f} logDetails {log_details} {outputfile_text}
assignAttr {self.assign_attr}', log=echo_command)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/lib/ucsf-chimerax/lib/python3.11/site-
packages/chimerax/core/commands/run.py", line 49, in run
results = command.run(text, log=log, return_json=return_json)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/lib/ucsf-chimerax/lib/python3.11/site-
packages/chimerax/core/commands/cli.py", line 3213, in run
result = ci.function(session, **kw_args)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/em301/.local/share/ChimeraX/1.9/lib/python3.11/site-
packages/chimerax/qscore/cmd.py", line 40, in qscore
residue_map, (query_atoms, atom_scores) = q_score(residues, to_volume,
ref_sigma=reference_gaussian_sigma,
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/em301/.local/share/ChimeraX/1.9/lib/python3.11/site-
packages/chimerax/qscore/qscore.py", line 256, in q_score
report_results(residue_scores, query_atoms, q_scores, oob_residues,
log=log_details, filename=output_file)
File "/home/em301/.local/share/ChimeraX/1.9/lib/python3.11/site-
packages/chimerax/qscore/qscore.py", line 287, in report_results
qavg, qworst = scores
^^^^^^^^^^^^
TypeError: cannot unpack non-iterable NoneType object
TypeError: cannot unpack non-iterable NoneType object
File "/home/em301/.local/share/ChimeraX/1.9/lib/python3.11/site-
packages/chimerax/qscore/qscore.py", line 287, in report_results
qavg, qworst = scores
^^^^^^^^^^^^
See log for complete Python traceback.
OpenGL version: 3.3.0 NVIDIA 535.230.02
OpenGL renderer: NVIDIA GeForce RTX 3090/PCIe/SSE2
OpenGL vendor: NVIDIA Corporation
Python: 3.11.4
Locale: en_US.UTF-8
Qt version: PyQt6 6.7.1, Qt 6.7.1
Qt runtime version: 6.7.3
Qt platform: xcb
XDG_SESSION_TYPE=x11
DESKTOP_SESSION=ubuntu
XDG_SESSION_DESKTOP=ubuntu
XDG_CURRENT_DESKTOP=ubuntu:GNOME
DISPLAY=:1
Manufacturer: Micro-Star International Co., Ltd.
Model: MS-7D54
OS: Ubuntu 22.04
Architecture: 64bit ELF
Virtual Machine: none
CPU: 16 AMD Ryzen 7 5700X 8-Core Processor
Cache Size: 512 KB
Memory:
total used free shared buff/cache available
Mem: 125Gi 8.7Gi 110Gi 168Mi 6.9Gi 115Gi
Swap: 2.0Gi 0B 2.0Gi
Graphics:
2d:00.0 VGA compatible controller [0300]: NVIDIA Corporation GA102 [GeForce RTX 3090] [10de:2204] (rev a1)
Subsystem: Palit Microsystems Inc. GA102 [GeForce RTX 3090] [1569:2204]
Kernel driver in use: nvidia
Installed Packages:
alabaster: 1.0.0
anyio: 4.7.0
appdirs: 1.4.4
asttokens: 3.0.0
auditwheel: 6.1.0
autocommand: 2.2.2
babel: 2.16.0
backports.tarfile: 1.2.0
beautifulsoup4: 4.12.3
blockdiag: 3.0.0
blosc2: 3.0.0
build: 1.2.1
certifi: 2024.8.30
cftime: 1.6.4.post1
charset-normalizer: 3.4.0
ChimeraX-AddCharge: 1.5.18
ChimeraX-AddH: 2.2.6
ChimeraX-AlignmentAlgorithms: 2.0.2
ChimeraX-AlignmentHdrs: 3.5
ChimeraX-AlignmentMatrices: 2.1
ChimeraX-Alignments: 2.16.1
ChimeraX-AlphaFold: 1.0.1
ChimeraX-AltlocExplorer: 1.1.2
ChimeraX-AmberInfo: 1.0
ChimeraX-Arrays: 1.1
ChimeraX-Atomic: 1.58.8
ChimeraX-AtomicLibrary: 14.1.11
ChimeraX-AtomSearch: 2.0.1
ChimeraX-AxesPlanes: 2.4
ChimeraX-BasicActions: 1.1.2
ChimeraX-BILD: 1.0
ChimeraX-BlastProtein: 3.0.0
ChimeraX-BondRot: 2.0.4
ChimeraX-BugReporter: 1.0.1
ChimeraX-BuildStructure: 2.13.1
ChimeraX-Bumps: 1.0
ChimeraX-BundleBuilder: 1.4.0
ChimeraX-ButtonPanel: 1.0.1
ChimeraX-CageBuilder: 1.0.1
ChimeraX-CellPack: 1.0
ChimeraX-Centroids: 1.4
ChimeraX-ChangeChains: 1.1
ChimeraX-CheckWaters: 1.4
ChimeraX-ChemGroup: 2.0.1
ChimeraX-Clashes: 2.3
ChimeraX-Clipper: 0.24.0
ChimeraX-ColorActions: 1.0.5
ChimeraX-ColorGlobe: 1.0
ChimeraX-ColorKey: 1.5.6
ChimeraX-CommandLine: 1.2.5
ChimeraX-ConnectStructure: 2.0.1
ChimeraX-Contacts: 1.0.1
ChimeraX-Core: 1.9
ChimeraX-CoreFormats: 1.2
ChimeraX-coulombic: 1.4.4
ChimeraX-Crosslinks: 1.0
ChimeraX-Crystal: 1.0
ChimeraX-CrystalContacts: 1.0.1
ChimeraX-DataFormats: 1.2.3
ChimeraX-Dicom: 1.2.6
ChimeraX-DistMonitor: 1.4.2
ChimeraX-DockPrep: 1.1.3
ChimeraX-Dssp: 2.0
ChimeraX-EMDB-SFF: 1.0
ChimeraX-ESMFold: 1.0
ChimeraX-FileHistory: 1.0.1
ChimeraX-FunctionKey: 1.0.1
ChimeraX-Geometry: 1.3
ChimeraX-gltf: 1.0
ChimeraX-Graphics: 1.4.1
ChimeraX-Hbonds: 2.5
ChimeraX-Help: 1.3
ChimeraX-HKCage: 1.3
ChimeraX-IHM: 1.1
ChimeraX-ImageFormats: 1.2
ChimeraX-IMOD: 1.0
ChimeraX-IO: 1.0.3
ChimeraX-ISOLDE: 1.9
ChimeraX-ItemsInspection: 1.0.1
ChimeraX-IUPAC: 1.0
ChimeraX-KVFinder: 1.2.1
ChimeraX-Label: 1.1.14
ChimeraX-LigandRecognizer: 0.2
ChimeraX-LinuxSupport: 1.0.1
ChimeraX-ListInfo: 1.2.2
ChimeraX-Log: 1.2
ChimeraX-LookingGlass: 1.1
ChimeraX-Maestro: 1.9.1
ChimeraX-Map: 1.3
ChimeraX-MapData: 2.0
ChimeraX-MapEraser: 1.0.1
ChimeraX-MapFilter: 2.0.1
ChimeraX-MapFit: 2.0
ChimeraX-MapSeries: 2.1.1
ChimeraX-Markers: 1.0.1
ChimeraX-Mask: 1.0.2
ChimeraX-MatchMaker: 2.1.6
ChimeraX-MCopy: 1.0
ChimeraX-MDcrds: 2.7.2
ChimeraX-MedicalToolbar: 1.1
ChimeraX-Meeting: 1.0.1
ChimeraX-MLP: 1.1.1
ChimeraX-mmCIF: 2.14.2
ChimeraX-MMTF: 2.2
ChimeraX-ModelArchive: 1.0
ChimeraX-Modeller: 1.5.18
ChimeraX-ModelPanel: 1.5
ChimeraX-ModelSeries: 1.0.1
ChimeraX-Mol2: 2.0.3
ChimeraX-Mole: 1.0
ChimeraX-Morph: 1.0.2
ChimeraX-MouseModes: 1.2
ChimeraX-Movie: 1.0
ChimeraX-MutationScores: 1.0
ChimeraX-Neuron: 1.0
ChimeraX-Nifti: 1.2
ChimeraX-NMRSTAR: 1.0.2
ChimeraX-NRRD: 1.2
ChimeraX-Nucleotides: 2.0.3
ChimeraX-OpenCommand: 1.14
ChimeraX-OrthoPick: 1.0.1
ChimeraX-PDB: 2.7.6
ChimeraX-PDBBio: 1.0.1
ChimeraX-PDBLibrary: 1.0.4
ChimeraX-PDBMatrices: 1.0
ChimeraX-PickBlobs: 1.0.1
ChimeraX-Positions: 1.0
ChimeraX-PresetMgr: 1.1.2
ChimeraX-PubChem: 2.2
ChimeraX-QScore: 1.2
ChimeraX-ReadPbonds: 1.0.1
ChimeraX-Registration: 1.1.2
ChimeraX-RemoteControl: 1.0
ChimeraX-RenderByAttr: 1.6.2
ChimeraX-RenumberResidues: 1.1
ChimeraX-ResidueFit: 1.0.1
ChimeraX-RestServer: 1.3.1
ChimeraX-RNALayout: 1.0
ChimeraX-RotamerLibMgr: 4.0
ChimeraX-RotamerLibsDunbrack: 2.0
ChimeraX-RotamerLibsDynameomics: 2.0
ChimeraX-RotamerLibsRichardson: 2.0
ChimeraX-SaveCommand: 1.5.1
ChimeraX-SchemeMgr: 1.0
ChimeraX-SDF: 2.0.2
ChimeraX-Segger: 1.0
ChimeraX-Segment: 1.0.1
ChimeraX-Segmentations: 3.5.6
ChimeraX-SelInspector: 1.0
ChimeraX-SeqView: 2.14
ChimeraX-Shape: 1.0.1
ChimeraX-Shell: 1.0.1
ChimeraX-Shortcuts: 1.2.0
ChimeraX-ShowSequences: 1.0.3
ChimeraX-SideView: 1.0.1
ChimeraX-SimilarStructures: 1.0.1
ChimeraX-Smiles: 2.1.2
ChimeraX-SmoothLines: 1.0
ChimeraX-SpaceNavigator: 1.0
ChimeraX-StdCommands: 1.18.1
ChimeraX-STL: 1.0.1
ChimeraX-Storm: 1.0
ChimeraX-StructMeasure: 1.2.1
ChimeraX-Struts: 1.0.1
ChimeraX-Surface: 1.0.1
ChimeraX-SwapAA: 2.0.1
ChimeraX-SwapRes: 2.5
ChimeraX-TapeMeasure: 1.0
ChimeraX-TaskManager: 1.0
ChimeraX-Test: 1.0
ChimeraX-Toolbar: 1.2.3
ChimeraX-ToolshedUtils: 1.2.4
ChimeraX-Topography: 1.0
ChimeraX-ToQuest: 1.0
ChimeraX-Tug: 1.0.1
ChimeraX-UI: 1.41
ChimeraX-Umap: 1.0
ChimeraX-uniprot: 2.3.1
ChimeraX-UnitCell: 1.0.1
ChimeraX-ViewDockX: 1.4.4
ChimeraX-VIPERdb: 1.0
ChimeraX-Vive: 1.1
ChimeraX-VolumeMenu: 1.0.1
ChimeraX-vrml: 1.0
ChimeraX-VTK: 1.0
ChimeraX-WavefrontOBJ: 1.0
ChimeraX-WebCam: 1.0.2
ChimeraX-WebServices: 1.1.4
ChimeraX-Zone: 1.0.1
colorama: 0.4.6
comm: 0.2.2
contourpy: 1.3.1
cxservices: 1.2.3
cycler: 0.12.1
Cython: 3.0.10
debugpy: 1.8.9
decorator: 5.1.1
distro: 1.9.0
docutils: 0.21.2
executing: 2.1.0
filelock: 3.15.4
fonttools: 4.55.3
funcparserlib: 2.0.0a0
glfw: 2.8.0
grako: 3.16.5
h11: 0.14.0
h5py: 3.12.1
html2text: 2024.2.26
httpcore: 1.0.7
httpx: 0.28.1
idna: 3.10
ihm: 1.3
imagecodecs: 2024.6.1
imagesize: 1.4.1
importlib_metadata: 8.0.0
importlib_resources: 6.4.0
inflect: 7.3.1
ipykernel: 6.29.5
ipython: 8.26.0
ipywidgets: 8.1.5
jaraco.context: 5.3.0
jaraco.functools: 4.0.1
jaraco.text: 3.12.1
jedi: 0.19.1
Jinja2: 3.1.4
jupyter_client: 8.6.2
jupyter_core: 5.7.2
jupyterlab_widgets: 3.0.13
kiwisolver: 1.4.7
line_profiler: 4.1.3
lxml: 5.2.2
lz4: 4.3.3
MarkupSafe: 3.0.2
matplotlib: 3.9.2
matplotlib-inline: 0.1.7
more-itertools: 10.3.0
msgpack: 1.0.8
ndindex: 1.9.2
nest-asyncio: 1.6.0
netCDF4: 1.6.5
networkx: 3.3
nibabel: 5.2.0
nptyping: 2.5.0
numexpr: 2.10.2
numpy: 1.26.4
openvr: 1.26.701
ordered-set: 4.1.0
packaging: 23.2
packaging: 24.1
ParmEd: 4.2.2
parso: 0.8.4
pep517: 0.13.1
pexpect: 4.9.0
pillow: 10.4.0
pip: 24.2
pkginfo: 1.11.1
platformdirs: 4.3.6
platformdirs: 4.2.2
prompt_toolkit: 3.0.48
psutil: 6.0.0
ptyprocess: 0.7.0
pure_eval: 0.2.3
py-cpuinfo: 9.0.0
pycollada: 0.8
pydicom: 2.4.4
pyelftools: 0.31
Pygments: 2.18.0
pynmrstar: 3.3.4
pynrrd: 1.0.0
PyOpenGL: 3.1.7
PyOpenGL-accelerate: 3.1.7
pyopenxr: 1.0.3401
pyparsing: 3.2.0
pyproject_hooks: 1.2.0
PyQt6-commercial: 6.7.1
PyQt6-Qt6: 6.7.3
PyQt6-WebEngine-commercial: 6.7.0
PyQt6-WebEngine-Qt6: 6.7.3
PyQt6-WebEngineSubwheel-Qt6: 6.7.3
PyQt6_sip: 13.8.0
python-dateutil: 2.9.0.post0
pytz: 2024.2
pyzmq: 26.2.0
qtconsole: 5.5.2
QtPy: 2.4.2
qtshim: 1.0
RandomWords: 0.4.0
requests: 2.32.3
scipy: 1.14.0
setuptools: 72.1.0
sfftk-rw: 0.8.1
six: 1.16.0
sniffio: 1.3.1
snowballstemmer: 2.2.0
sortedcontainers: 2.4.0
soupsieve: 2.6
Sphinx: 8.0.2
sphinx-autodoc-typehints: 2.2.3
sphinxcontrib-applehelp: 2.0.0
sphinxcontrib-blockdiag: 3.0.0
sphinxcontrib-devhelp: 2.0.0
sphinxcontrib-htmlhelp: 2.1.0
sphinxcontrib-jsmath: 1.0.1
sphinxcontrib-qthelp: 2.0.0
sphinxcontrib-serializinghtml: 2.0.0
stack-data: 0.6.3
superqt: 0.6.3
tables: 3.10.1
tcia_utils: 1.5.1
tifffile: 2024.7.24
tinyarray: 1.2.4
tomli: 2.0.1
tornado: 6.4.2
traitlets: 5.14.3
typeguard: 4.3.0
typing_extensions: 4.12.2
typing_extensions: 4.12.2
tzdata: 2024.2
urllib3: 2.2.3
wcwidth: 0.2.13
webcolors: 24.6.0
wheel: 0.43.0
wheel: 0.43.0
wheel-filename: 1.4.1
widgetsnbextension: 4.0.13
zipp: 3.19.2
Change History (1)
comment:1 by , 4 months ago
| Component: | Unassigned → Third Party |
|---|---|
| Description: | modified (diff) |
| Owner: | set to |
| Platform: | → all |
| Project: | → ChimeraX |
| Status: | new → assigned |
| Summary: | ChimeraX bug report submission → QScore: scores is None |
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