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Opened 7 weeks ago
Last modified 7 weeks ago
#18810 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
The following bug report has been submitted:
Platform: Linux-6.8.0-79-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_APO_tail/J2269_007_volume_map_sharp.mrc" format mrc
Opened J2269_007_volume_map_sharp.mrc as #1, grid size 420,420,420, pixel
0.873, shown at level 0.0453, step 2, values float32
> open "/home/em301/Documents/dynein d/dynein-d_APO_tail/MDFF_CX_MDFF_IDA-
> d_APO tail-coot-459.pdb"
Summary of feedback from opening /home/em301/Documents/dynein d/dynein-
d_APO_tail/MDFF_CX_MDFF_IDA-d_APO tail-coot-459.pdb
---
warning | Start residue of secondary structure not found: HELIX 16 16 ALA C 201 ASP C 203 5 3
Chain information for MDFF_CX_MDFF_IDA-d_APO tail-coot-459.pdb #2
---
Chain | Description
B | No description available
C | No description available
E | No description available
R | No description available
S | No description available
> open "/home/em301/Documents/dynein d/dynein-d_APO_tail/IDAd_ATPVi
> tail@J2269.pdb" "/home/em301/Documents/dynein d/dynein-
> d_APO_tail/IDAd_HC_425-554_J2269.pdb"
Chain information for IDAd_ATPVi tail@J2269.pdb #3
---
Chain | Description
B | No description available
C | No description available
E | No description available
R | No description available
S | No description available
Chain information for IDAd_HC_425-554_J2269.pdb #4
---
Chain | Description
A | No description available
> show cartoons
> hide atoms
> hide surfaces
> volume gaussian #1 sDev 1.3
Opened J2269_007_volume_map_sharp.mrc gaussian as #5, grid size 420,420,420,
pixel 0.873, shown at step 1, values float32
> transparency #2-5 50
> volume #5 level 0.04627
> hide #!3 models
> select #4/C:280-300
Nothing selected
> hide #!5 models
> hide #!2 models
> select #4/A:280-300
164 atoms, 164 bonds, 21 residues, 1 model selected
> select #4/A:280-325
342 atoms, 343 bonds, 46 residues, 1 model selected
> show #!2 models
> select #4/A:280-325, select #2/C:280-325
667 atoms, 669 bonds, 89 residues, 2 models selected
> ui tool show Matchmaker
> matchmaker #4 & sel to #2 & sel
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_CX_MDFF_IDA-d_APO tail-coot-459.pdb, chain C (#2) with
IDAd_HC_425-554_J2269.pdb, chain A (#4), sequence alignment score = 177.5
RMSD between 23 pruned atom pairs is 1.052 angstroms; (across all 43 pairs:
4.639)
> matchmaker #4 & sel to #2 & sel
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_CX_MDFF_IDA-d_APO tail-coot-459.pdb, chain C (#2) with
IDAd_HC_425-554_J2269.pdb, chain A (#4), sequence alignment score = 177.5
RMSD between 23 pruned atom pairs is 1.052 angstroms; (across all 43 pairs:
4.639)
> ui tool show "Fit in Map"
> select #4/A:280-325
342 atoms, 343 bonds, 46 residues, 1 model selected
> fitmap sel inMap #1
Fit molecule IDAd_HC_425-554_J2269.pdb (#4) to map
J2269_007_volume_map_sharp.mrc (#1) using 342 atoms
average map value = 0.1876, steps = 52
shifted from previous position = 1.02
rotated from previous position = 2.98 degrees
atoms outside contour = 110, contour level = 0.045313
Position of IDAd_HC_425-554_J2269.pdb (#4) relative to
J2269_007_volume_map_sharp.mrc (#1) coordinates:
Matrix rotation and translation
0.99985353 -0.01675412 0.00349412 3.07455898
0.01679246 0.99979571 -0.01124932 0.35433800
-0.00330494 0.01130635 0.99993062 -1.20645965
Axis 0.55024335 0.16586233 0.81836541
Axis point -11.63392635 158.54704046 0.00000000
Rotation angle (degrees) 1.17442170
Shift along axis 0.76320211
> show #!5 models
> volume #5 level 0.108
> volume #5 level 0.05281
> volume #5 level 0.03102
> fitmap sel inMap #1
Fit molecule IDAd_HC_425-554_J2269.pdb (#4) to map
J2269_007_volume_map_sharp.mrc (#1) using 342 atoms
average map value = 0.1876, steps = 40
shifted from previous position = 0.00724
rotated from previous position = 0.135 degrees
atoms outside contour = 109, contour level = 0.045313
Position of IDAd_HC_425-554_J2269.pdb (#4) relative to
J2269_007_volume_map_sharp.mrc (#1) coordinates:
Matrix rotation and translation
0.99983518 -0.01723972 0.00569167 2.71827795
0.01729902 0.99979482 -0.01053875 0.10747117
-0.00550882 0.01063547 0.99992827 -0.65430319
Axis 0.50375945 0.26647283 0.82171689
Axis point 8.61113430 132.45297428 0.00000000
Rotation angle (degrees) 1.20422831
Shift along axis 0.86034437
> save "/home/em301/Documents/dynein d/dynein-d_APO_tail/IDAd
> HC_J2269_C280-325.pdb" models #4
> hide #!2 models
> select #4/A:280-400
897 atoms, 915 bonds, 121 residues, 1 model selected
> fitmap sel inMap #1
Fit molecule IDAd_HC_425-554_J2269.pdb (#4) to map
J2269_007_volume_map_sharp.mrc (#1) using 897 atoms
average map value = 0.1385, steps = 64
shifted from previous position = 1.13
rotated from previous position = 0.797 degrees
atoms outside contour = 293, contour level = 0.045313
Position of IDAd_HC_425-554_J2269.pdb (#4) relative to
J2269_007_volume_map_sharp.mrc (#1) coordinates:
Matrix rotation and translation
0.99961796 -0.02022442 0.01883902 0.00554270
0.02036068 0.99976771 -0.00706944 -2.06043333
-0.01869167 0.00745031 0.99979754 2.12422641
Axis 0.25404816 0.65666442 0.71010659
Axis point 106.21220506 -3.70221062 0.00000000
Rotation angle (degrees) 1.63755099
Shift along axis 0.15682203
> hide #!5 models
> select #4/A:290-330
309 atoms, 310 bonds, 41 residues, 1 model selected
> fitmap sel inMap #1
Fit molecule IDAd_HC_425-554_J2269.pdb (#4) to map
J2269_007_volume_map_sharp.mrc (#1) using 309 atoms
average map value = 0.1758, steps = 104
shifted from previous position = 0.633
rotated from previous position = 3.09 degrees
atoms outside contour = 123, contour level = 0.045313
Position of IDAd_HC_425-554_J2269.pdb (#4) relative to
J2269_007_volume_map_sharp.mrc (#1) coordinates:
Matrix rotation and translation
0.99888081 -0.03938712 -0.02618744 13.40597593
0.03860449 0.99881166 -0.02974844 -0.05307774
0.02732803 0.02870419 0.99921432 -10.30908495
Axis 0.52569853 -0.48129573 0.70142389
Axis point 13.87469226 342.07889769 0.00000000
Rotation angle (degrees) 3.18701366
Shift along axis -0.15799057
> show #!5 models
> ui mousemode right "rotate selected models"
> view matrix models
> #4,0.99482,-0.021064,-0.099439,19.489,0.011413,0.99525,-0.096644,14.105,0.101,0.095008,0.99034,-36.739
> ui mousemode right "translate selected models"
> view matrix models
> #4,0.99482,-0.021064,-0.099439,20.803,0.011413,0.99525,-0.096644,17.38,0.101,0.095008,0.99034,-39.844
> fitmap sel inMap #1
Fit molecule IDAd_HC_425-554_J2269.pdb (#4) to map
J2269_007_volume_map_sharp.mrc (#1) using 309 atoms
average map value = 0.1046, steps = 272
shifted from previous position = 1.6
rotated from previous position = 10.4 degrees
atoms outside contour = 132, contour level = 0.045313
Position of IDAd_HC_425-554_J2269.pdb (#4) relative to
J2269_007_volume_map_sharp.mrc (#1) coordinates:
Matrix rotation and translation
0.97269209 0.10856400 -0.20514376 22.48400393
-0.13854590 0.98070558 -0.13791879 59.27572392
0.18621261 0.16257434 0.96896566 -65.21181983
Axis 0.54453674 -0.70919398 -0.44779865
Axis point 362.12131272 0.00000000 62.97075965
Rotation angle (degrees) 16.01662759
Shift along axis -0.59285553
> select add #4
7808 atoms, 7967 bonds, 999 residues, 1 model selected
> select subtract #4
Nothing selected
> fitmap #4 inMap #1
Fit molecule IDAd_HC_425-554_J2269.pdb (#4) to map
J2269_007_volume_map_sharp.mrc (#1) using 7808 atoms
average map value = 0.04025, steps = 152
shifted from previous position = 3.48
rotated from previous position = 3.84 degrees
atoms outside contour = 5573, contour level = 0.045313
Position of IDAd_HC_425-554_J2269.pdb (#4) relative to
J2269_007_volume_map_sharp.mrc (#1) coordinates:
Matrix rotation and translation
0.97610400 0.04802591 -0.21193039 32.03172933
-0.07543408 0.98951100 -0.12319771 39.53118439
0.20379077 0.13624055 0.96948844 -65.01249341
Axis 0.51338730 -0.82264645 -0.24430781
Axis point 336.26874321 0.00000000 113.69322909
Rotation angle (degrees) 14.63574585
Shift along axis -0.19244576
> ui tool show Matchmaker
> matchmaker #4 to #2
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_CX_MDFF_IDA-d_APO tail-coot-459.pdb, chain C (#2) with
IDAd_HC_425-554_J2269.pdb, chain A (#4), sequence alignment score = 3507.1
RMSD between 504 pruned atom pairs is 1.174 angstroms; (across all 748 pairs:
2.874)
> matchmaker #4 to #2
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_CX_MDFF_IDA-d_APO tail-coot-459.pdb, chain C (#2) with
IDAd_HC_425-554_J2269.pdb, chain A (#4), sequence alignment score = 3507.1
RMSD between 504 pruned atom pairs is 1.174 angstroms; (across all 748 pairs:
2.874)
> select #4/A:200-330
1032 atoms, 1048 bonds, 131 residues, 1 model selected
> hide #!5 models
> color #4 #1c71d8ff
> select #4/A:207-330
977 atoms, 992 bonds, 124 residues, 1 model selected
> fitmap sel inMap #1
Fit molecule IDAd_HC_425-554_J2269.pdb (#4) to map
J2269_007_volume_map_sharp.mrc (#1) using 977 atoms
average map value = 0.1992, steps = 44
shifted from previous position = 0.371
rotated from previous position = 0.244 degrees
atoms outside contour = 268, contour level = 0.045313
Position of IDAd_HC_425-554_J2269.pdb (#4) relative to
J2269_007_volume_map_sharp.mrc (#1) coordinates:
Matrix rotation and translation
0.99999621 0.00271561 0.00044448 -0.17377421
-0.00271707 0.99999075 0.00333504 0.64526997
-0.00043542 -0.00333623 0.99999434 0.62629874
Axis -0.77139161 0.10174236 -0.62817471
Axis point 0.00000000 151.58745963 -198.97142515
Rotation angle (degrees) 0.24775808
Shift along axis -0.19372578
> volume #5 level 0.06588
> ui mousemode right "translate selected models"
> view matrix models
> #4,1,0.0027156,0.00044448,-3.9307,-0.0027171,0.99999,0.003335,0.46362,-0.00043542,-0.0033362,0.99999,0.19844
> fitmap sel inMap #1
Fit molecule IDAd_HC_425-554_J2269.pdb (#4) to map
J2269_007_volume_map_sharp.mrc (#1) using 977 atoms
average map value = 0.1881, steps = 72
shifted from previous position = 1.66
rotated from previous position = 4.61 degrees
atoms outside contour = 288, contour level = 0.045313
Position of IDAd_HC_425-554_J2269.pdb (#4) relative to
J2269_007_volume_map_sharp.mrc (#1) coordinates:
Matrix rotation and translation
0.99706037 0.07433367 0.01857771 -19.33793471
-0.07377520 0.99684940 -0.02912875 20.25905077
-0.02068442 0.02767254 0.99940301 -1.98760068
Axis 0.34759131 0.24026169 -0.90634133
Axis point 263.23320769 270.31354723 0.00000000
Rotation angle (degrees) 4.68669124
Shift along axis -0.05277955
> select #4/A:250-330
617 atoms, 622 bonds, 81 residues, 1 model selected
> fitmap sel inMap #1
Fit molecule IDAd_HC_425-554_J2269.pdb (#4) to map
J2269_007_volume_map_sharp.mrc (#1) using 617 atoms
average map value = 0.1494, steps = 44
shifted from previous position = 0.159
rotated from previous position = 0.582 degrees
atoms outside contour = 234, contour level = 0.045313
Position of IDAd_HC_425-554_J2269.pdb (#4) relative to
J2269_007_volume_map_sharp.mrc (#1) coordinates:
Matrix rotation and translation
0.99688323 0.07824193 0.01010038 -18.18759929
-0.07786870 0.99641131 -0.03318072 21.86842894
-0.01266025 0.03229080 0.99939833 -4.24853949
Axis 0.38330659 0.13325335 -0.91395821
Axis point 269.96647675 242.35310687 -0.00000000
Rotation angle (degrees) 4.89923331
Shift along axis -0.17439766
> ui mousemode right "rotate selected models"
> view matrix models
> #4,0.99765,-0.023285,0.064447,-5.7912,0.01972,0.99827,0.055414,-8.9492,-0.065626,-0.054013,0.99638,23.094
> ui mousemode right "translate selected models"
> view matrix models
> #4,0.99765,-0.023285,0.064447,-11.522,0.01972,0.99827,0.055414,-10.698,-0.065626,-0.054013,0.99638,17.197
> fitmap sel inMap #1
Fit molecule IDAd_HC_425-554_J2269.pdb (#4) to map
J2269_007_volume_map_sharp.mrc (#1) using 617 atoms
average map value = 0.107, steps = 120
shifted from previous position = 3.13
rotated from previous position = 3.53 degrees
atoms outside contour = 314, contour level = 0.045313
Position of IDAd_HC_425-554_J2269.pdb (#4) relative to
J2269_007_volume_map_sharp.mrc (#1) coordinates:
Matrix rotation and translation
0.99824569 0.02549173 0.05343894 -18.57646072
-0.02642334 0.99950967 0.01679968 8.94018590
-0.05298448 -0.01818224 0.99842979 8.65778289
Axis -0.28332309 0.86193712 -0.42046691
Axis point 228.37344278 0.00000000 305.65841959
Rotation angle (degrees) 3.53940701
Shift along axis 9.32870717
> show #!2 models
> hide #!2 models
> show #!2 models
> hide #!5 models
> show #!5 models
> select #4/A:280-330
381 atoms, 382 bonds, 51 residues, 1 model selected
> fitmap sel inMap #1
Fit molecule IDAd_HC_425-554_J2269.pdb (#4) to map
J2269_007_volume_map_sharp.mrc (#1) using 381 atoms
average map value = 0.1572, steps = 64
shifted from previous position = 0.161
rotated from previous position = 1.81 degrees
atoms outside contour = 150, contour level = 0.045313
Position of IDAd_HC_425-554_J2269.pdb (#4) relative to
J2269_007_volume_map_sharp.mrc (#1) coordinates:
Matrix rotation and translation
0.99763015 0.05948396 0.03457951 -20.14135020
-0.05860484 0.99794510 -0.02590480 16.25708203
-0.03604938 0.02381688 0.99906616 2.00704114
Axis 0.33984558 0.48274541 -0.80713187
Axis point 270.35627342 345.84810196 0.00000000
Rotation angle (degrees) 4.19512556
Shift along axis -0.61686410
> hide #!2 models
> save "/home/em301/Documents/dynein d/dynein-d_APO_tail/IDAd
> HC_J2269_C280-330.pdb" models #4
> show #!2 models
> select #2/C
5904 atoms, 6012 bonds, 6 pseudobonds, 748 residues, 2 models selected
> save "/home/em301/Documents/dynein d/dynein-d_APO_tail/MDFF_CX_MDFF_IDA-
> d_APO tail-coot-459-C.pdb" models #2 selectedOnly true
> open "/home/em301/Documents/dynein d/dynein-d_APO_tail/MDFF_CX_MDFF_IDA-
> d_APO tail-coot-459-C.pdb"
Summary of feedback from opening /home/em301/Documents/dynein d/dynein-
d_APO_tail/MDFF_CX_MDFF_IDA-d_APO tail-coot-459-C.pdb
---
warnings | Start residue of secondary structure not found: HELIX 1 1 THR B 43 MET B 49 1 7
Start residue of secondary structure not found: HELIX 2 2 GLY B 57 SER B 62 1
6
Start residue of secondary structure not found: HELIX 3 3 ARG B 64 ILE B 66 1
3
Start residue of secondary structure not found: HELIX 4 4 TRP B 81 PHE B 93 1
13
Start residue of secondary structure not found: HELIX 5 5 LYS B 115 GLU B 127
1 13
48 messages similar to the above omitted
Chain information for MDFF_CX_MDFF_IDA-d_APO tail-coot-459-C.pdb #6
---
Chain | Description
C | No description available
> hide #!2 models
> color #6 #ff7800ff
> ui tool show "Model-map Q-Score"
> style #6 stick
Changed 5904 atom styles
> color #6 byhetero
> transparency #1 60
> qscore #6 toVolume #1 useGui false pointsPerShell 8 shellRadiusStep 0.100
> maxShellRadius 2.00 referenceGaussianSigma 0.60 logDetails true assignAttr
> false
Chain Number Name Qavg Qworst Qbb Qsc
-------------------------------------------------------
C 66 THR 0.146 -0.488 -0.115 0.493
C 67 TYR 0.488 0.220 0.573 0.446
C 68 SER 0.577 0.214 0.531 0.668
C 69 HIS 0.469 0.173 0.498 0.449
C 70 LEU 0.474 0.119 0.523 0.424
C 71 LEU 0.459 -0.051 0.517 0.402
C 72 PRO 0.742 0.542 0.708 0.787
C 73 LYS 0.433 0.110 0.511 0.370
C 74 VAL 0.584 0.409 0.622 0.533
C 75 MET 0.258 -0.164 0.339 0.177
C 76 ALA 0.504 0.119 0.451 0.715
C 77 PRO 0.482 0.090 0.474 0.494
C 78 PHE 0.445 -0.455 0.268 0.546
C 79 GLU -0.026 -0.639 -0.008 -0.040
C 80 THR 0.440 0.101 0.448 0.428
C 81 ARG 0.173 -0.727 0.012 0.265
C 82 SER 0.006 -0.323 0.131 -0.244
C 83 GLY 0.215 -0.080 0.215 N/A
C 84 GLU 0.487 -0.289 0.425 0.538
C 85 THR 0.551 0.248 0.454 0.681
C 86 PRO 0.461 0.191 0.380 0.569
C 87 ARG 0.342 -0.590 0.435 0.289
C 88 LYS 0.210 -0.581 0.579 -0.085
C 89 VAL 0.415 -0.455 0.341 0.513
C 90 LEU 0.387 0.036 0.226 0.548
C 91 ILE 0.598 0.080 0.590 0.607
C 92 GLN 0.581 0.382 0.521 0.628
C 93 ARG 0.515 0.095 0.328 0.621
C 94 ARG 0.637 0.122 0.524 0.702
C 95 ARG 0.430 -0.095 0.366 0.467
C 96 ARG 0.400 -0.569 0.446 0.373
C 97 GLN 0.403 -0.249 0.140 0.613
C 98 PHE 0.641 -0.274 0.331 0.818
C 99 ALA 0.545 0.184 0.636 0.184
C 100 ALA 0.511 0.352 0.551 0.352
C 101 GLN 0.651 0.345 0.572 0.714
C 102 ASP 0.563 -0.374 0.360 0.766
C 103 VAL 0.623 0.257 0.599 0.656
C 104 ALA 0.379 -0.411 0.577 -0.411
C 105 GLU 0.134 -0.538 0.182 0.095
C 106 LEU 0.289 -0.476 0.220 0.357
C 107 VAL 0.202 -0.676 0.072 0.375
C 108 HIS -0.022 -0.750 0.278 -0.223
C 109 GLY -0.620 -0.665 -0.620 N/A
C 110 GLU 0.089 -0.218 0.017 0.147
C 111 VAL 0.101 -0.568 0.164 0.018
C 112 ALA 0.297 -0.233 0.347 0.097
C 113 ALA 0.554 0.239 0.633 0.239
C 114 GLN -0.013 -0.712 0.272 -0.240
C 115 PRO 0.138 -0.313 0.337 -0.127
C 116 PRO 0.025 -0.503 -0.056 0.133
C 117 GLN 0.049 -0.659 0.300 -0.152
C 118 GLU 0.207 -0.212 0.326 0.111
C 119 LEU -0.189 -0.826 -0.326 -0.052
C 120 PHE 0.114 -0.304 0.175 0.080
C 122 LEU 0.072 -0.396 0.184 -0.040
C 123 GLU 0.104 -0.651 0.573 -0.271
C 124 VAL 0.477 0.240 0.411 0.565
C 125 PHE 0.053 -0.426 0.074 0.042
C 126 ASP 0.242 -0.459 0.276 0.209
C 127 ASN 0.272 -0.182 0.293 0.251
C 128 THR 0.514 -0.099 0.301 0.797
C 129 ASN 0.673 0.532 0.631 0.716
C 130 PHE 0.361 -0.425 0.152 0.479
C 131 GLU 0.553 -0.293 0.548 0.557
C 132 SER 0.785 0.650 0.747 0.861
C 133 ARG 0.708 0.547 0.702 0.712
C 134 MET 0.755 0.623 0.721 0.788
C 135 HIS 0.290 -0.073 0.262 0.309
C 136 PRO 0.390 -0.027 0.253 0.572
C 137 GLU 0.590 0.200 0.690 0.510
C 138 TRP 0.507 0.255 0.577 0.478
C 139 VAL 0.211 -0.725 0.328 0.056
C 140 PRO 0.189 -0.228 0.211 0.160
C 141 ARG -0.015 -0.430 0.060 -0.058
C 142 ARG 0.223 -0.615 0.285 0.187
C 143 PRO 0.430 -0.090 0.428 0.433
C 144 GLY 0.513 0.099 0.513 N/A
C 145 VAL 0.156 -0.274 0.204 0.093
C 146 PRO 0.336 -0.482 0.239 0.464
C 147 LEU 0.277 -0.552 0.110 0.444
C 148 THR 0.561 0.366 0.560 0.561
C 149 SER 0.393 0.178 0.499 0.180
C 150 GLY 0.743 0.619 0.743 N/A
C 151 ARG 0.686 0.099 0.601 0.735
C 152 ALA 0.498 0.110 0.459 0.653
C 153 LEU -0.121 -0.704 0.170 -0.412
C 154 VAL -0.005 -0.535 -0.208 0.266
C 155 ALA -0.171 -0.535 -0.203 -0.044
C 156 HIS 0.324 -0.398 0.476 0.197
C 164 VAL 0.011 -0.514 0.225 -0.274
C 165 VAL 0.214 -0.797 -0.073 0.596
C 166 ASP 0.413 -0.254 0.523 0.304
C 167 TRP 0.440 -0.392 0.302 0.495
C 168 VAL 0.414 -0.402 0.646 0.104
C 169 PRO 0.641 0.427 0.660 0.615
C 170 CYS 0.621 0.390 0.705 0.451
C 171 THR 0.546 0.292 0.681 0.366
C 172 VAL 0.497 -0.082 0.411 0.611
C 173 VAL 0.578 0.259 0.617 0.526
C 174 ASP 0.672 0.270 0.784 0.560
C 175 PHE 0.568 0.195 0.526 0.591
C 176 ASP 0.611 0.312 0.584 0.638
C 177 GLU 0.593 -0.120 0.411 0.739
C 178 ALA 0.390 0.040 0.478 0.040
C 179 THR 0.533 -0.083 0.399 0.712
C 180 ASN 0.451 -0.175 0.412 0.491
C 181 SER 0.689 0.462 0.763 0.541
C 182 TYR 0.642 0.419 0.713 0.607
C 183 GLY 0.627 0.422 0.627 N/A
C 184 VAL 0.673 0.382 0.719 0.613
C 185 THR 0.487 -0.158 0.770 0.110
C 186 LEU 0.583 0.108 0.806 0.360
C 187 HIS 0.541 -0.039 0.577 0.517
C 205 HIS 0.430 -0.221 0.530 0.364
C 206 VAL 0.591 0.389 0.542 0.657
C 207 MET 0.659 0.492 0.682 0.637
C 208 TRP 0.613 0.344 0.611 0.614
C 209 LEU 0.613 0.271 0.519 0.707
C 210 PRO 0.532 0.220 0.512 0.557
C 211 ARG 0.490 -0.327 0.599 0.428
C 212 VAL 0.557 0.241 0.486 0.652
C 213 LYS 0.592 0.082 0.759 0.458
C 214 VAL 0.517 0.242 0.542 0.483
C 215 CYS 0.658 0.320 0.684 0.607
C 216 PHE 0.547 0.132 0.595 0.520
C 217 SER 0.537 0.228 0.596 0.420
C 218 ALA 0.736 0.627 0.725 0.779
C 219 GLU 0.253 -0.349 0.307 0.209
C 220 ASP 0.490 0.040 0.335 0.644
C 221 PRO 0.547 0.012 0.442 0.687
C 222 ALA 0.382 -0.030 0.485 -0.030
C 223 GLN 0.518 -0.101 0.746 0.335
C 224 PHE 0.609 0.207 0.470 0.688
C 225 ALA 0.655 0.525 0.687 0.525
C 226 ARG 0.309 -0.703 0.597 0.145
C 227 ARG 0.320 -0.105 0.260 0.354
C 228 HIS 0.542 0.039 0.412 0.628
C 229 ALA 0.331 -0.155 0.295 0.478
C 230 GLU 0.615 0.020 0.728 0.525
C 231 ALA 0.276 -0.091 0.363 -0.070
C 232 HIS 0.206 -0.503 -0.024 0.359
C 233 ARG 0.388 0.049 0.320 0.428
C 234 SER 0.366 0.095 0.377 0.344
C 235 ARG 0.076 -0.254 0.104 0.061
C 236 ALA 0.523 0.084 0.556 0.391
C 237 ARG 0.397 -0.396 0.395 0.398
C 238 ALA 0.196 -0.306 0.114 0.524
C 239 GLU 0.370 0.016 0.205 0.501
C 240 SER -0.037 -0.624 0.232 -0.574
C 241 LEU 0.474 0.202 0.432 0.517
C 242 LEU 0.399 -0.288 0.120 0.678
C 243 ARG 0.737 0.503 0.674 0.773
C 244 TYR 0.578 -0.022 0.384 0.675
C 245 ASN 0.028 -0.353 -0.099 0.155
C 246 LEU 0.203 -0.324 0.086 0.320
C 247 TYR 0.496 -0.417 0.262 0.614
C 248 VAL 0.372 -0.281 0.445 0.274
C 249 ASP 0.210 -0.418 0.092 0.328
C 250 SER 0.526 0.249 0.502 0.573
C 251 MET 0.028 -0.752 0.539 -0.483
C 252 PRO 0.553 0.181 0.501 0.622
C 253 THR 0.111 -0.578 0.587 -0.523
C 254 ASP 0.041 -0.693 -0.357 0.438
C 255 ASP 0.090 -0.763 -0.117 0.298
C 256 ILE -0.178 -0.758 -0.375 0.019
C 257 PRO 0.153 -0.121 0.238 0.039
C 259 LEU 0.185 0.027 0.231 0.139
C 260 THR -0.021 -0.491 -0.149 0.150
C 261 ASN 0.248 -0.572 0.030 0.467
C 262 GLU 0.060 -0.675 0.124 0.009
C 263 GLN 0.250 -0.481 0.645 -0.066
C 264 VAL 0.434 -0.208 0.708 0.069
C 265 ASN 0.322 -0.292 0.575 0.069
C 266 ARG 0.483 -0.176 0.358 0.555
C 267 MET 0.427 0.164 0.372 0.482
C 268 LEU 0.248 -0.159 0.561 -0.066
C 269 SER 0.341 -0.318 0.510 0.003
C 270 PHE 0.334 -0.271 0.339 0.330
C 271 ALA 0.666 0.487 0.657 0.703
C 272 LEU 0.493 0.003 0.456 0.529
C 273 ASN 0.109 -0.576 0.163 0.054
C 274 SER 0.137 -0.701 0.516 -0.622
C 275 LYS 0.100 -0.511 -0.124 0.279
C 276 LYS 0.350 -0.312 -0.053 0.673
C 277 LEU 0.268 -0.533 0.172 0.364
C 278 LYS -0.074 -0.635 -0.340 0.139
C 279 ASP -0.292 -0.680 -0.303 -0.281
C 280 LYS 0.234 -0.539 -0.211 0.591
C 281 LEU 0.002 -0.499 -0.270 0.274
C 282 MET 0.468 -0.046 0.642 0.293
C 283 ASP 0.372 0.077 0.371 0.374
C 284 THR 0.307 -0.121 0.204 0.444
C 285 SER 0.624 0.450 0.591 0.689
C 286 ALA 0.417 -0.013 0.356 0.664
C 287 LEU 0.353 -0.210 0.328 0.377
C 288 ILE 0.395 -0.219 0.515 0.275
C 289 ALA 0.431 0.193 0.490 0.193
C 290 GLU 0.082 -0.455 -0.041 0.179
C 291 VAL 0.335 -0.082 0.301 0.380
C 292 ASN 0.472 0.233 0.452 0.493
C 293 ILE 0.089 -0.367 0.362 -0.184
C 294 GLU 0.578 0.243 0.389 0.729
C 295 TYR 0.371 -0.292 0.539 0.287
C 296 ALA 0.168 -0.267 0.276 -0.267
C 297 ARG 0.140 -0.185 0.130 0.145
C 298 THR 0.163 -0.368 0.133 0.202
C 299 MET 0.377 0.057 0.291 0.462
C 300 ASN -0.257 -0.754 -0.161 -0.352
C 301 LYS 0.152 -0.413 0.078 0.211
C 302 VAL 0.002 -0.688 -0.152 0.208
C 303 VAL -0.148 -0.478 -0.042 -0.290
C 304 PHE 0.066 -0.371 -0.270 0.258
C 305 ASP 0.025 -0.727 -0.491 0.542
C 306 THR 0.237 -0.142 0.366 0.066
C 307 ALA 0.158 -0.354 0.197 0.002
C 308 LEU 0.040 -0.344 -0.138 0.217
C 309 THR 0.115 -0.439 0.388 -0.248
C 310 ALA 0.264 -0.301 0.196 0.537
C 311 ALA 0.603 0.396 0.646 0.433
C 312 ARG 0.666 0.426 0.623 0.690
C 313 ALA 0.555 0.019 0.508 0.744
C 314 GLU -0.069 -0.625 0.225 -0.303
C 315 ARG 0.330 -0.240 0.175 0.418
C 316 GLU 0.200 -0.229 0.333 0.094
C 317 ALA 0.308 -0.174 0.248 0.547
C 318 ASP 0.360 -0.244 0.333 0.387
C 319 ALA 0.524 0.325 0.574 0.325
C 320 GLU 0.348 -0.085 0.350 0.346
C 321 ALA 0.254 0.005 0.316 0.005
C 322 ALA 0.509 -0.003 0.442 0.777
C 328 VAL 0.361 -0.251 0.559 0.096
C 329 ARG 0.502 -0.608 0.627 0.431
C 330 ARG 0.407 -0.445 0.096 0.585
C 331 SER 0.066 -0.457 0.118 -0.039
C 332 THR 0.378 -0.134 0.471 0.254
C 333 ASN 0.129 -0.319 0.146 0.112
C 334 GLY 0.217 -0.061 0.217 N/A
C 335 GLY 0.666 0.519 0.666 N/A
C 336 VAL -0.006 -0.859 0.394 -0.541
C 337 ALA 0.619 0.330 0.691 0.330
C 338 ALA 0.519 0.213 0.596 0.213
C 339 ALA 0.391 -0.295 0.389 0.399
C 340 VAL 0.131 -0.655 0.159 0.094
C 341 MET 0.366 0.081 0.448 0.285
C 342 ASN 0.584 0.102 0.648 0.519
C 343 VAL 0.256 -0.153 0.484 -0.049
C 344 GLY 0.604 0.458 0.604 N/A
C 345 LYS 0.413 -0.364 0.075 0.682
C 346 PRO 0.351 -0.677 0.571 0.058
C 347 PRO 0.341 -0.144 0.329 0.356
C 348 ALA 0.001 -0.560 -0.008 0.036
C 349 ALA -0.144 -0.662 -0.131 -0.195
C 350 PRO 0.125 -0.190 0.222 -0.003
C 351 GLY 0.555 0.330 0.555 N/A
C 352 ALA 0.652 0.489 0.683 0.525
C 353 PRO 0.610 0.471 0.611 0.609
C 354 LEU 0.554 -0.228 0.573 0.535
C 355 ILE 0.347 -0.355 0.102 0.592
C 356 PRO 0.476 0.296 0.503 0.441
C 357 ILE 0.417 -0.161 0.554 0.280
C 358 LEU 0.495 0.189 0.405 0.586
C 359 GLU -0.170 -0.562 -0.300 -0.066
C 360 ASP 0.075 -0.250 -0.197 0.346
C 361 PHE 0.594 0.338 0.651 0.561
C 362 PRO 0.390 -0.090 0.442 0.321
C 363 ARG 0.205 -0.195 0.249 0.179
C 364 ASP 0.269 -0.412 0.602 -0.064
C 365 PRO 0.232 -0.257 0.351 0.073
C 366 PRO 0.381 0.064 0.217 0.600
C 367 ARG 0.009 -0.423 0.313 -0.166
C 368 PRO 0.036 -0.322 -0.125 0.250
C 369 VAL 0.515 -0.009 0.466 0.580
C 370 PRO 0.315 -0.039 0.252 0.400
C 371 GLU 0.656 0.454 0.710 0.613
C 372 ARG 0.653 0.209 0.592 0.688
C 373 GLY 0.629 0.524 0.629 N/A
C 374 THR 0.737 0.644 0.708 0.775
C 375 VAL 0.711 0.616 0.732 0.684
C 376 PRO 0.752 0.612 0.790 0.702
C 377 VAL 0.602 0.307 0.599 0.606
C 378 GLU 0.612 0.313 0.650 0.582
C 379 GLY 0.766 0.695 0.766 N/A
C 380 GLY 0.619 0.313 0.619 N/A
C 381 GLY 0.747 0.730 0.747 N/A
C 382 ASP 0.685 0.503 0.656 0.714
C 383 PHE 0.597 0.371 0.588 0.602
C 384 PRO 0.730 0.651 0.716 0.749
C 385 GLN 0.343 -0.159 0.293 0.383
C 386 GLN 0.642 0.343 0.654 0.633
C 387 PHE 0.602 0.009 0.736 0.526
C 388 SER 0.583 0.417 0.560 0.630
C 389 GLU 0.425 -0.126 0.599 0.285
C 390 PHE 0.388 -0.177 0.575 0.281
C 391 SER 0.672 0.402 0.655 0.705
C 392 PHE 0.363 -0.119 0.400 0.342
C 393 LYS 0.465 0.111 0.330 0.573
C 394 THR 0.407 -0.119 0.583 0.173
C 395 LEU 0.413 -0.117 0.269 0.558
C 396 LEU 0.611 0.359 0.596 0.626
C 397 THR 0.087 -0.507 0.345 -0.256
C 398 LYS 0.400 -0.088 0.608 0.233
C 399 THR 0.148 -0.384 -0.027 0.381
C 400 GLU 0.188 -0.282 0.218 0.163
C 401 VAL 0.487 0.380 0.527 0.434
C 402 ILE 0.292 -0.032 0.378 0.206
C 403 MET 0.578 0.226 0.534 0.622
C 404 ALA 0.672 0.405 0.672 0.672
C 405 ILE 0.619 -0.093 0.456 0.782
C 406 THR 0.625 0.491 0.626 0.623
C 407 LYS 0.551 -0.176 0.370 0.695
C 408 ILE 0.655 0.371 0.654 0.656
C 409 LYS 0.612 0.067 0.669 0.566
C 410 VAL 0.607 0.438 0.581 0.642
C 411 GLU 0.588 0.149 0.653 0.536
C 412 CYS 0.669 0.293 0.587 0.832
C 413 ALA 0.346 -0.510 0.560 -0.510
C 414 LYS 0.641 0.266 0.638 0.643
C 415 VAL 0.677 0.097 0.582 0.804
C 416 THR 0.679 0.545 0.690 0.663
C 417 LYS 0.562 0.341 0.489 0.620
C 418 MET 0.721 0.570 0.713 0.729
C 419 CYS 0.757 0.680 0.771 0.730
C 420 LEU 0.711 0.576 0.745 0.678
C 421 PHE 0.643 0.316 0.760 0.576
C 422 ASN 0.627 0.514 0.626 0.628
C 423 THR 0.535 0.097 0.575 0.481
C 424 HIS 0.467 -0.396 0.520 0.432
C 425 TYR 0.330 -0.730 0.677 0.157
C 426 THR 0.420 0.096 0.367 0.490
C 427 LYS 0.565 0.249 0.509 0.610
C 428 SER 0.777 0.687 0.792 0.747
C 429 ALA 0.784 0.694 0.806 0.694
C 430 ARG 0.151 -0.421 0.153 0.149
C 431 LEU 0.382 0.069 0.227 0.538
C 432 GLU 0.262 -0.298 0.286 0.242
C 433 GLU 0.026 -0.374 0.028 0.025
C 434 LEU 0.548 0.048 0.525 0.571
C 435 GLU 0.301 -0.581 0.330 0.277
C 436 GLN 0.179 -0.420 0.208 0.155
C 437 THR 0.480 0.039 0.506 0.447
C 438 GLN 0.581 0.148 0.549 0.607
C 439 VAL 0.537 -0.039 0.444 0.662
C 440 ALA 0.510 0.147 0.498 0.561
C 441 ALA 0.681 0.335 0.686 0.659
C 442 LEU 0.473 0.087 0.692 0.253
C 443 ASP 0.565 0.077 0.690 0.440
C 444 SER 0.730 0.624 0.696 0.797
C 445 ALA 0.663 0.410 0.620 0.837
C 446 GLY 0.577 0.049 0.577 N/A
C 447 ASN 0.461 0.107 0.542 0.381
C 448 TYR 0.564 0.383 0.515 0.589
C 449 LEU 0.670 0.379 0.596 0.744
C 450 LYS 0.606 0.164 0.542 0.658
C 451 ASP 0.493 0.169 0.440 0.546
C 452 THR 0.522 0.028 0.702 0.282
C 453 TRP 0.621 0.374 0.731 0.577
C 454 CYS 0.436 -0.174 0.409 0.489
C 455 VAL 0.527 0.107 0.573 0.467
C 456 ALA 0.462 -0.259 0.399 0.713
C 457 LEU 0.565 0.326 0.559 0.571
C 458 ARG 0.541 0.121 0.458 0.588
C 459 ASN 0.541 0.120 0.466 0.616
C 460 ALA 0.449 0.021 0.447 0.459
C 461 ILE 0.375 -0.030 0.273 0.477
C 462 ARG 0.263 -0.535 0.321 0.231
C 463 ASN 0.193 -0.410 0.537 -0.151
C 464 SER 0.649 0.561 0.686 0.575
C 465 PHE 0.167 -0.485 0.495 -0.020
C 466 LYS 0.373 -0.403 0.632 0.165
C 467 ASP -0.224 -0.665 -0.388 -0.060
C 468 VAL 0.012 -0.526 -0.040 0.081
C 469 GLY 0.229 0.034 0.229 N/A
C 470 LYS 0.131 -0.433 0.137 0.126
C 471 GLY 0.377 0.263 0.377 N/A
C 472 TRP 0.268 -0.590 0.497 0.177
C 473 PHE 0.354 -0.304 0.335 0.366
C 474 ASN 0.524 0.186 0.657 0.391
C 475 LEU 0.328 -0.374 0.574 0.081
C 476 GLY 0.536 0.377 0.536 N/A
C 477 GLU 0.566 0.200 0.714 0.446
C 478 ALA 0.594 0.373 0.575 0.667
C 479 SER 0.689 0.501 0.651 0.764
C 480 MET 0.548 -0.119 0.656 0.440
C 481 GLU 0.318 -0.495 0.102 0.491
C 482 THR -0.006 -0.460 -0.195 0.245
C 483 TYR 0.358 -0.442 0.691 0.191
C 484 GLU -0.016 -0.618 -0.255 0.175
C 485 PHE -0.374 -0.709 -0.441 -0.335
C 486 SER 0.453 0.189 0.438 0.485
C 487 LYS 0.485 -0.370 0.721 0.297
C 488 LEU 0.314 -0.418 0.000 0.627
C 489 ARG 0.519 -0.248 0.494 0.534
C 490 LYS 0.479 -0.067 0.610 0.374
C 491 PHE 0.603 0.356 0.437 0.698
C 492 LEU 0.663 0.049 0.550 0.777
C 493 THR 0.587 0.262 0.564 0.618
C 494 LEU 0.662 0.366 0.702 0.622
C 495 THR 0.328 0.092 0.322 0.336
C 496 ARG 0.599 -0.078 0.712 0.535
C 497 PHE 0.544 -0.031 0.630 0.495
C 498 VAL 0.412 -0.312 0.235 0.648
C 499 MET 0.710 0.562 0.650 0.770
C 500 GLU 0.658 -0.209 0.486 0.796
C 501 ASP 0.614 0.248 0.707 0.522
C 502 THR 0.624 0.492 0.602 0.653
C 503 MET 0.612 0.309 0.591 0.633
C 504 ARG 0.694 0.408 0.728 0.675
C 505 ALA 0.669 0.417 0.653 0.732
C 506 LEU 0.742 0.385 0.676 0.808
C 507 VAL 0.730 0.490 0.684 0.793
C 508 GLU 0.370 -0.140 0.580 0.203
C 509 ASP 0.474 0.036 0.539 0.409
C 510 SER 0.702 0.427 0.760 0.585
C 511 LEU 0.716 0.251 0.595 0.837
C 512 GLY 0.790 0.760 0.790 N/A
C 513 LYS 0.644 0.430 0.664 0.628
C 514 PHE 0.603 0.411 0.652 0.574
C 515 THR 0.518 -0.108 0.527 0.507
C 516 GLY 0.749 0.639 0.749 N/A
C 517 PHE 0.674 0.232 0.641 0.693
C 518 ILE 0.560 -0.291 0.414 0.705
C 519 GLN 0.409 -0.461 0.395 0.420
C 520 SER 0.486 0.106 0.489 0.478
C 521 CYS 0.607 0.196 0.569 0.682
C 522 CYS 0.640 0.512 0.661 0.598
C 523 PRO 0.469 -0.203 0.373 0.597
C 524 GLY 0.643 0.455 0.643 N/A
C 525 ARG 0.427 -0.469 0.599 0.328
C 526 VAL 0.452 -0.142 0.607 0.245
C 527 THR 0.494 0.069 0.713 0.203
C 528 VAL 0.580 0.442 0.597 0.559
C 529 HIS 0.604 0.360 0.622 0.591
C 530 SER 0.593 0.424 0.670 0.438
C 531 THR 0.613 0.335 0.710 0.484
C 532 SER 0.713 0.685 0.701 0.737
C 533 SER 0.684 0.526 0.692 0.668
C 534 VAL 0.264 -0.510 0.179 0.378
C 535 GLU 0.274 -0.239 0.350 0.212
C 536 ILE 0.083 -0.554 0.159 0.007
C 537 LEU 0.314 -0.595 0.282 0.345
C 538 ASP 0.210 -0.549 -0.023 0.442
C 539 ALA 0.028 -0.384 0.021 0.056
C 540 SER 0.394 -0.206 0.482 0.217
C 541 SER 0.313 -0.560 0.546 -0.270
C 551 GLY 0.627 0.476 0.627 N/A
C 552 ARG 0.475 0.229 0.456 0.486
C 553 LYS 0.579 0.182 0.691 0.491
C 554 PRO 0.545 0.080 0.467 0.649
C 555 PRO 0.559 0.285 0.555 0.563
C 556 LEU 0.646 0.471 0.773 0.520
C 557 LEU 0.619 0.354 0.701 0.536
C 558 VAL 0.675 0.441 0.766 0.554
C 559 MET 0.652 0.406 0.614 0.690
C 560 ASP 0.506 0.136 0.415 0.597
C 561 LEU 0.498 0.093 0.553 0.444
C 562 ALA 0.546 0.294 0.609 0.294
C 563 THR 0.552 0.135 0.714 0.337
C 564 ASN 0.475 -0.007 0.584 0.366
C 565 LYS 0.214 -0.669 0.320 0.129
C 566 GLU 0.622 0.423 0.635 0.611
C 567 ALA 0.679 0.375 0.755 0.375
C 568 THR 0.641 0.445 0.600 0.697
C 569 ARG 0.331 -0.207 0.439 0.270
C 570 PHE 0.267 -0.200 0.219 0.294
C 571 VAL 0.638 0.308 0.634 0.644
C 572 TYR 0.724 0.329 0.621 0.776
C 573 SER 0.693 0.446 0.707 0.667
C 574 THR 0.505 0.076 0.497 0.516
C 575 GLN 0.495 0.192 0.552 0.449
C 576 PRO 0.585 -0.055 0.495 0.705
C 577 GLU 0.215 -0.496 0.341 0.114
C 578 SER 0.640 0.298 0.706 0.507
C 579 ILE 0.546 -0.040 0.429 0.663
C 580 VAL 0.485 0.269 0.604 0.327
C 581 THR 0.468 -0.497 0.277 0.723
C 582 LYS 0.498 0.003 0.409 0.569
C 583 ILE 0.659 0.338 0.604 0.714
C 584 MET 0.693 0.271 0.567 0.818
C 585 ALA 0.501 0.168 0.584 0.168
C 586 LEU 0.678 0.246 0.623 0.733
C 587 PHE 0.682 0.429 0.624 0.715
C 588 ASP 0.544 -0.197 0.447 0.642
C 589 ALA 0.626 0.346 0.696 0.346
C 590 ALA 0.599 0.217 0.636 0.450
C 591 ILE 0.734 0.488 0.692 0.777
C 592 GLY 0.672 0.556 0.672 N/A
C 593 ARG 0.362 -0.349 0.409 0.336
C 594 THR 0.634 0.351 0.590 0.694
C 595 GLN 0.586 0.167 0.528 0.632
C 596 GLY -0.103 -0.496 -0.103 N/A
C 597 LEU 0.663 0.417 0.652 0.675
C 598 HIS 0.698 0.275 0.602 0.762
C 599 THR 0.480 0.149 0.497 0.457
C 600 LEU 0.608 0.334 0.600 0.617
C 601 GLU 0.144 -0.459 0.339 -0.012
C 602 PRO 0.617 0.407 0.703 0.502
C 603 ALA 0.473 0.270 0.418 0.690
C 604 ILE 0.626 0.185 0.655 0.597
C 605 MET 0.440 0.149 0.448 0.432
C 606 GLU 0.184 -0.617 0.195 0.175
C 607 ASN 0.250 -0.460 0.403 0.097
C 608 LEU 0.604 -0.067 0.754 0.455
C 609 PHE -0.166 -0.615 -0.065 -0.223
C 610 TRP 0.458 -0.406 0.698 0.362
C 611 ALA 0.278 -0.071 0.233 0.457
C 612 THR 0.463 -0.231 0.353 0.610
C 613 ALA 0.640 0.431 0.692 0.431
C 614 PRO 0.650 0.463 0.585 0.737
C 615 VAL 0.649 0.373 0.674 0.616
C 616 LEU 0.662 0.475 0.683 0.641
C 617 SER 0.719 0.513 0.703 0.750
C 618 THR 0.654 0.373 0.730 0.553
C 619 VAL 0.734 0.617 0.733 0.736
C 620 HIS 0.638 0.433 0.606 0.660
C 621 GLN 0.759 0.439 0.663 0.836
C 622 GLN 0.655 0.422 0.639 0.668
C 623 GLU 0.488 -0.031 0.514 0.467
C 624 GLU 0.661 0.280 0.629 0.686
C 625 ILE 0.399 -0.311 0.278 0.520
C 626 VAL 0.708 0.364 0.695 0.724
C 627 VAL 0.634 0.082 0.535 0.765
C 628 ARG 0.645 0.278 0.685 0.622
C 629 HIS 0.784 0.513 0.751 0.805
C 630 ARG 0.694 0.540 0.705 0.689
C 631 GLU 0.325 -0.113 0.472 0.207
C 632 LEU 0.644 0.485 0.669 0.619
C 633 LEU 0.603 -0.120 0.444 0.763
C 634 ARG 0.691 0.514 0.643 0.718
C 635 ALA 0.637 0.538 0.662 0.538
C 636 ALA 0.641 0.325 0.659 0.569
C 637 LEU 0.623 0.351 0.609 0.637
C 638 SER 0.463 0.159 0.496 0.398
C 639 ALA 0.560 0.444 0.589 0.444
C 640 ALA 0.494 0.100 0.447 0.683
C 641 LEU 0.395 0.065 0.336 0.455
C 642 VAL 0.329 -0.543 0.226 0.466
C 643 PRO 0.516 0.311 0.473 0.575
C 644 LEU 0.634 0.198 0.566 0.702
C 645 GLU 0.534 0.105 0.432 0.614
C 646 GLU 0.320 -0.369 0.243 0.381
C 647 TYR 0.490 0.137 0.430 0.519
C 648 MET 0.722 0.599 0.682 0.763
C 649 ALA 0.278 -0.281 0.223 0.500
C 650 LYS 0.596 -0.014 0.428 0.730
C 651 PHE 0.324 -0.342 0.531 0.206
C 652 GLU 0.493 -0.302 0.527 0.465
C 653 LYS 0.566 0.313 0.603 0.536
C 654 TYR 0.584 0.235 0.540 0.606
C 655 VAL 0.209 -0.478 0.020 0.460
C 656 PRO 0.590 0.403 0.610 0.563
C 657 LEU 0.540 0.154 0.720 0.359
C 658 LEU 0.650 0.505 0.698 0.602
C 659 GLN 0.623 0.196 0.591 0.649
C 660 LEU 0.580 0.333 0.537 0.622
C 661 ASN 0.494 0.153 0.517 0.470
C 662 VAL 0.471 0.081 0.535 0.385
C 663 GLU 0.542 0.323 0.504 0.572
C 664 SER 0.580 0.080 0.545 0.650
C 665 TYR 0.494 -0.523 0.168 0.657
C 666 VAL -0.100 -0.507 -0.286 0.148
C 667 ALA 0.127 -0.240 0.127 0.129
C 668 ALA 0.463 0.259 0.514 0.259
C 669 LEU 0.396 0.002 0.406 0.385
C 670 GLU 0.330 -0.180 0.279 0.371
C 671 ALA 0.334 -0.738 0.602 -0.738
C 672 LYS 0.154 -0.530 0.515 -0.134
C 673 GLY 0.484 0.181 0.484 N/A
C 674 GLU 0.515 -0.044 0.472 0.550
C 675 GLU 0.320 -0.323 0.401 0.255
C 676 LEU 0.178 -0.313 0.099 0.257
C 677 SER 0.508 -0.233 0.433 0.659
C 678 LEU 0.378 0.215 0.354 0.401
C 679 THR 0.445 0.218 0.519 0.345
C 680 GLU 0.193 -0.466 0.452 -0.014
C 681 VAL 0.532 0.249 0.627 0.405
C 682 ARG 0.227 -0.139 0.413 0.120
C 683 ALA 0.083 -0.621 0.041 0.253
C 684 GLU 0.394 0.088 0.374 0.410
C 685 ILE 0.291 -0.117 0.317 0.265
C 686 LYS 0.090 -0.275 0.121 0.065
C 687 ARG 0.372 0.097 0.280 0.424
C 688 ALA 0.104 -0.257 0.194 -0.257
C 689 SER 0.300 -0.292 0.478 -0.056
C 690 ALA 0.324 0.006 0.345 0.240
C 691 ASP 0.270 -0.275 0.310 0.230
C 692 LEU 0.544 0.106 0.658 0.430
C 693 GLU 0.315 -0.046 0.405 0.244
C 694 SER 0.019 -0.517 0.242 -0.426
C 695 LEU 0.359 -0.293 0.168 0.551
C 696 MET 0.537 0.062 0.490 0.584
C 697 GLU 0.355 -0.469 0.055 0.595
C 698 SER 0.094 -0.569 0.214 -0.146
C 699 VAL 0.610 0.360 0.598 0.627
C 700 PRO 0.633 0.273 0.604 0.673
C 701 ILE 0.395 0.018 0.447 0.343
C 702 GLY 0.657 0.579 0.657 N/A
C 703 ILE 0.560 0.053 0.428 0.693
C 704 SER 0.532 0.106 0.423 0.749
C 705 LEU 0.649 0.244 0.690 0.609
C 706 GLY 0.629 0.261 0.629 N/A
C 707 LEU 0.739 0.598 0.698 0.779
C 708 VAL 0.518 -0.196 0.323 0.779
C 709 GLN 0.571 0.264 0.498 0.630
C 710 ILE 0.519 0.318 0.587 0.452
C 711 ASN 0.378 0.029 0.428 0.329
C 712 LEU 0.417 -0.247 0.199 0.634
C 713 VAL 0.388 0.193 0.357 0.430
C 714 LYS 0.616 0.281 0.541 0.676
C 715 THR 0.340 -0.375 0.376 0.292
C 716 ARG 0.440 0.040 0.214 0.569
C 717 GLU 0.543 -0.102 0.331 0.713
C 718 LEU 0.635 0.392 0.518 0.751
C 719 LEU 0.288 -0.540 0.106 0.470
C 720 VAL 0.173 -0.715 0.052 0.333
C 721 LYS 0.402 -0.193 0.298 0.485
C 722 LYS 0.296 -0.493 0.095 0.457
C 723 GLN 0.320 -0.763 -0.004 0.579
C 724 GLU 0.273 -0.519 0.021 0.474
C 725 LYS 0.469 0.171 0.563 0.394
C 726 LEU 0.340 -0.071 0.319 0.362
C 727 VAL 0.163 0.038 0.240 0.062
C 728 ALA 0.615 0.458 0.622 0.587
C 729 LEU 0.370 -0.236 0.130 0.611
C 730 LEU 0.412 0.110 0.298 0.526
C 731 LYS 0.286 -0.307 0.396 0.198
C 732 ALA 0.043 -0.479 0.142 -0.354
C 733 LEU 0.057 -0.381 -0.215 0.330
C 734 ALA 0.548 0.363 0.537 0.591
C 735 ALA 0.255 0.008 0.317 0.008
C 736 ARG 0.125 -0.785 0.040 0.174
C 737 VAL 0.353 0.013 0.424 0.257
C 738 PRO 0.244 -0.061 0.227 0.266
C 739 ARG -0.008 -0.671 0.170 -0.109
C 740 ARG -0.112 -0.572 -0.015 -0.167
C 741 ALA 0.282 -0.200 0.257 0.384
C 742 MET 0.052 -0.404 -0.166 0.270
C 743 ALA -0.020 -0.462 -0.001 -0.094
C 744 SER 0.303 -0.307 0.122 0.665
C 745 VAL 0.310 -0.195 0.455 0.116
C 746 SER 0.611 0.402 0.636 0.561
C 747 THR 0.240 -0.641 0.045 0.500
C 748 LYS -0.016 -0.698 -0.022 -0.010
C 749 PHE -0.047 -0.758 0.148 -0.158
C 750 ALA 0.374 -0.268 0.366 0.410
C 751 GLU 0.125 -0.443 -0.044 0.260
C 752 ILE 0.225 -0.293 0.250 0.199
C 753 ASP 0.281 0.014 0.383 0.179
C 754 ARG 0.103 -0.667 0.625 -0.196
C 755 ALA 0.290 -0.325 0.315 0.187
C 756 LEU 0.263 -0.535 0.110 0.415
C 757 LYS 0.372 -0.222 0.525 0.250
C 758 ALA 0.398 -0.058 0.512 -0.058
C 759 LYS 0.196 -0.653 0.053 0.310
C 760 ALA 0.314 -0.486 0.237 0.626
C 761 ASN 0.035 -0.357 -0.175 0.246
C 762 ASN -0.243 -0.679 -0.164 -0.322
C 763 LEU 0.081 -0.703 0.270 -0.108
C 764 GLU -0.017 -0.605 -0.021 -0.014
C 765 ASP 0.298 -0.786 0.120 0.477
C 766 VAL 0.311 -0.224 0.161 0.510
C 767 ASP 0.138 -0.315 -0.067 0.344
C 768 GLU 0.332 -0.428 0.139 0.487
C 769 GLN -0.113 -0.816 -0.082 -0.139
C 770 ARG 0.070 -0.691 0.457 -0.151
C 771 HIS -0.159 -0.841 -0.119 -0.186
C 772 TYR 0.131 -0.635 -0.062 0.228
C 773 ILE 0.104 -0.401 -0.031 0.238
C 774 GLU 0.386 0.033 0.418 0.361
C 775 SER 0.152 -0.198 0.311 -0.167
C 776 LEU 0.178 -0.104 0.237 0.119
C 777 PRO 0.122 -0.508 -0.020 0.312
C 778 ASN 0.042 -0.229 0.152 -0.067
C 779 LYS 0.328 -0.268 0.553 0.148
C 780 VAL 0.050 -0.484 0.409 -0.427
C 781 TYR -0.108 -0.598 0.174 -0.249
C 782 GLU 0.217 -0.706 -0.063 0.440
C 783 LEU 0.131 -0.494 -0.009 0.271
C 784 MET 0.204 -0.591 -0.209 0.617
C 785 ALA 0.084 -0.560 -0.002 0.430
C 786 ASP 0.150 -0.513 0.069 0.230
C 787 VAL -0.171 -0.652 -0.326 0.036
C 788 GLU 0.453 -0.531 0.074 0.756
C 789 ALA 0.279 0.021 0.343 0.021
C 790 GLN 0.175 -0.594 -0.080 0.380
C 791 ARG 0.340 -0.208 0.687 0.142
C 792 GLY 0.013 -0.498 0.013 N/A
C 793 TRP 0.271 -0.204 0.056 0.357
C 794 TYR 0.143 -0.416 0.338 0.045
C 795 GLU 0.397 0.171 0.448 0.356
C 796 LEU 0.130 -0.399 0.149 0.112
C 797 LEU 0.154 -0.286 0.342 -0.034
C 798 GLU -0.095 -0.750 0.184 -0.318
C 799 GLY 0.387 0.109 0.387 N/A
C 800 MET 0.203 -0.506 0.100 0.307
C 801 ARG 0.427 -0.527 0.622 0.315
C 802 TYR 0.383 -0.357 0.225 0.462
C 803 LEU 0.080 -0.355 0.144 0.016
C 804 LEU 0.522 0.205 0.481 0.563
C 805 PRO 0.501 -0.140 0.548 0.438
C 806 GLU 0.535 0.324 0.530 0.538
C 807 GLU 0.247 -0.059 0.128 0.342
C 808 ASP 0.091 -0.523 0.464 -0.282
C 809 LEU 0.270 -0.340 0.461 0.079
C 810 LYS 0.093 -0.654 0.386 -0.142
C 811 GLU 0.268 -0.377 0.455 0.117
C 812 LYS 0.485 0.041 0.444 0.518
C 813 PHE 0.226 -0.619 0.378 0.140
C 814 ALA 0.267 0.078 0.281 0.213
C 815 GLY 0.279 -0.375 0.279 N/A
C 816 GLU 0.092 -0.490 0.345 -0.110
C 817 SER 0.191 -0.248 0.393 -0.213
C 818 TRP 0.148 -0.730 -0.268 0.314
C 819 GLY 0.294 -0.259 0.294 N/A
C 820 MET 0.310 -0.667 0.604 0.015
C 821 ARG 0.072 -0.730 0.132 0.038
C 822 LEU 0.340 -0.182 0.216 0.464
C 823 THR 0.126 -0.455 0.051 0.226
C 824 ARG 0.146 -0.559 0.057 0.197
C 825 GLN 0.130 -0.592 0.170 0.097
C 826 ALA 0.365 0.155 0.392 0.259
C 827 GLU 0.237 -0.645 0.010 0.418
C 828 LYS 0.219 -0.451 0.163 0.263
C 829 GLN 0.121 -0.721 -0.202 0.379
C 830 LEU 0.086 -0.378 0.144 0.028
C 831 GLU 0.418 -0.504 0.328 0.490
C 832 VAL -0.124 -0.783 -0.501 0.379
C 833 LEU 0.273 -0.368 0.053 0.492
C 834 ALA -0.180 -0.391 -0.127 -0.391
C 835 GLY 0.278 -0.365 0.278 N/A
C 836 ASP 0.021 -0.656 0.263 -0.221
C 837 GLU 0.050 -0.394 0.071 0.034
C 838 ALA -0.086 -0.482 -0.263 0.618
C 839 ARG 0.208 -0.589 0.048 0.299
C 840 PHE 0.039 -0.485 0.107 -0.000
C 841 LYS 0.116 -0.466 0.213 0.039
C 842 GLY 0.335 -0.052 0.335 N/A
C 843 GLU 0.100 -0.762 -0.369 0.476
C 844 MET -0.140 -0.796 -0.267 -0.014
C 845 ILE 0.235 -0.357 0.185 0.285
C 846 THR 0.125 -0.527 0.136 0.110
C 847 GLU -0.026 -0.532 -0.111 0.042
C 848 GLN -0.027 -0.527 -0.280 0.175
C 849 ASP 0.272 -0.231 0.018 0.526
C 850 MET 0.186 -0.432 -0.017 0.389
C 851 PHE -0.020 -0.633 -0.170 0.065
C 852 ARG -0.071 -0.678 -0.027 -0.097
C 853 ASP -0.140 -0.733 -0.180 -0.090
Overall mean Q-Score: 0.38
> qscore #6 toVolume #1 useGui false pointsPerShell 8 shellRadiusStep 0.100
> maxShellRadius 2.00 referenceGaussianSigma 0.60 logDetails true assignAttr
> false
Chain Number Name Qavg Qworst Qbb Qsc
-------------------------------------------------------
C 66 THR 0.146 -0.488 -0.115 0.493
C 67 TYR 0.488 0.220 0.573 0.446
C 68 SER 0.577 0.214 0.531 0.668
C 69 HIS 0.469 0.173 0.498 0.449
C 70 LEU 0.474 0.119 0.523 0.424
C 71 LEU 0.459 -0.051 0.517 0.402
C 72 PRO 0.742 0.542 0.708 0.787
C 73 LYS 0.433 0.110 0.511 0.370
C 74 VAL 0.584 0.409 0.622 0.533
C 75 MET 0.258 -0.164 0.339 0.177
C 76 ALA 0.504 0.119 0.451 0.715
C 77 PRO 0.482 0.090 0.474 0.494
C 78 PHE 0.445 -0.455 0.268 0.546
C 79 GLU -0.026 -0.639 -0.008 -0.040
C 80 THR 0.440 0.101 0.448 0.428
C 81 ARG 0.173 -0.727 0.012 0.265
C 82 SER 0.006 -0.323 0.131 -0.244
C 83 GLY 0.215 -0.080 0.215 N/A
C 84 GLU 0.487 -0.289 0.425 0.538
C 85 THR 0.551 0.248 0.454 0.681
C 86 PRO 0.461 0.191 0.380 0.569
C 87 ARG 0.342 -0.590 0.435 0.289
C 88 LYS 0.210 -0.581 0.579 -0.085
C 89 VAL 0.415 -0.455 0.341 0.513
C 90 LEU 0.387 0.036 0.226 0.548
C 91 ILE 0.598 0.080 0.590 0.607
C 92 GLN 0.581 0.382 0.521 0.628
C 93 ARG 0.515 0.095 0.328 0.621
C 94 ARG 0.637 0.122 0.524 0.702
C 95 ARG 0.430 -0.095 0.366 0.467
C 96 ARG 0.400 -0.569 0.446 0.373
C 97 GLN 0.403 -0.249 0.140 0.613
C 98 PHE 0.641 -0.274 0.331 0.818
C 99 ALA 0.545 0.184 0.636 0.184
C 100 ALA 0.511 0.352 0.551 0.352
C 101 GLN 0.651 0.345 0.572 0.714
C 102 ASP 0.563 -0.374 0.360 0.766
C 103 VAL 0.623 0.257 0.599 0.656
C 104 ALA 0.379 -0.411 0.577 -0.411
C 105 GLU 0.134 -0.538 0.182 0.095
C 106 LEU 0.289 -0.476 0.220 0.357
C 107 VAL 0.202 -0.676 0.072 0.375
C 108 HIS -0.022 -0.750 0.278 -0.223
C 109 GLY -0.620 -0.665 -0.620 N/A
C 110 GLU 0.089 -0.218 0.017 0.147
C 111 VAL 0.101 -0.568 0.164 0.018
C 112 ALA 0.297 -0.233 0.347 0.097
C 113 ALA 0.554 0.239 0.633 0.239
C 114 GLN -0.013 -0.712 0.272 -0.240
C 115 PRO 0.138 -0.313 0.337 -0.127
C 116 PRO 0.025 -0.503 -0.056 0.133
C 117 GLN 0.049 -0.659 0.300 -0.152
C 118 GLU 0.207 -0.212 0.326 0.111
C 119 LEU -0.189 -0.826 -0.326 -0.052
C 120 PHE 0.114 -0.304 0.175 0.080
C 122 LEU 0.072 -0.396 0.184 -0.040
C 123 GLU 0.104 -0.651 0.573 -0.271
C 124 VAL 0.477 0.240 0.411 0.565
C 125 PHE 0.053 -0.426 0.074 0.042
C 126 ASP 0.242 -0.459 0.276 0.209
C 127 ASN 0.272 -0.182 0.293 0.251
C 128 THR 0.514 -0.099 0.301 0.797
C 129 ASN 0.673 0.532 0.631 0.716
C 130 PHE 0.361 -0.425 0.152 0.479
C 131 GLU 0.553 -0.293 0.548 0.557
C 132 SER 0.785 0.650 0.747 0.861
C 133 ARG 0.708 0.547 0.702 0.712
C 134 MET 0.755 0.623 0.721 0.788
C 135 HIS 0.290 -0.073 0.262 0.309
C 136 PRO 0.390 -0.027 0.253 0.572
C 137 GLU 0.590 0.200 0.690 0.510
C 138 TRP 0.507 0.255 0.577 0.478
C 139 VAL 0.211 -0.725 0.328 0.056
C 140 PRO 0.189 -0.228 0.211 0.160
C 141 ARG -0.015 -0.430 0.060 -0.058
C 142 ARG 0.223 -0.615 0.285 0.187
C 143 PRO 0.430 -0.090 0.428 0.433
C 144 GLY 0.513 0.099 0.513 N/A
C 145 VAL 0.156 -0.274 0.204 0.093
C 146 PRO 0.336 -0.482 0.239 0.464
C 147 LEU 0.277 -0.552 0.110 0.444
C 148 THR 0.561 0.366 0.560 0.561
C 149 SER 0.393 0.178 0.499 0.180
C 150 GLY 0.743 0.619 0.743 N/A
C 151 ARG 0.686 0.099 0.601 0.735
C 152 ALA 0.498 0.110 0.459 0.653
C 153 LEU -0.121 -0.704 0.170 -0.412
C 154 VAL -0.005 -0.535 -0.208 0.266
C 155 ALA -0.171 -0.535 -0.203 -0.044
C 156 HIS 0.324 -0.398 0.476 0.197
C 164 VAL 0.011 -0.514 0.225 -0.274
C 165 VAL 0.214 -0.797 -0.073 0.596
C 166 ASP 0.413 -0.254 0.523 0.304
C 167 TRP 0.440 -0.392 0.302 0.495
C 168 VAL 0.414 -0.402 0.646 0.104
C 169 PRO 0.641 0.427 0.660 0.615
C 170 CYS 0.621 0.390 0.705 0.451
C 171 THR 0.546 0.292 0.681 0.366
C 172 VAL 0.497 -0.082 0.411 0.611
C 173 VAL 0.578 0.259 0.617 0.526
C 174 ASP 0.672 0.270 0.784 0.560
C 175 PHE 0.568 0.195 0.526 0.591
C 176 ASP 0.611 0.312 0.584 0.638
C 177 GLU 0.593 -0.120 0.411 0.739
C 178 ALA 0.390 0.040 0.478 0.040
C 179 THR 0.533 -0.083 0.399 0.712
C 180 ASN 0.451 -0.175 0.412 0.491
C 181 SER 0.689 0.462 0.763 0.541
C 182 TYR 0.642 0.419 0.713 0.607
C 183 GLY 0.627 0.422 0.627 N/A
C 184 VAL 0.673 0.382 0.719 0.613
C 185 THR 0.487 -0.158 0.770 0.110
C 186 LEU 0.583 0.108 0.806 0.360
C 187 HIS 0.541 -0.039 0.577 0.517
C 205 HIS 0.430 -0.221 0.530 0.364
C 206 VAL 0.591 0.389 0.542 0.657
C 207 MET 0.659 0.492 0.682 0.637
C 208 TRP 0.613 0.344 0.611 0.614
C 209 LEU 0.613 0.271 0.519 0.707
C 210 PRO 0.532 0.220 0.512 0.557
C 211 ARG 0.490 -0.327 0.599 0.428
C 212 VAL 0.557 0.241 0.486 0.652
C 213 LYS 0.592 0.082 0.759 0.458
C 214 VAL 0.517 0.242 0.542 0.483
C 215 CYS 0.658 0.320 0.684 0.607
C 216 PHE 0.547 0.132 0.595 0.520
C 217 SER 0.537 0.228 0.596 0.420
C 218 ALA 0.736 0.627 0.725 0.779
C 219 GLU 0.253 -0.349 0.307 0.209
C 220 ASP 0.490 0.040 0.335 0.644
C 221 PRO 0.547 0.012 0.442 0.687
C 222 ALA 0.382 -0.030 0.485 -0.030
C 223 GLN 0.518 -0.101 0.746 0.335
C 224 PHE 0.609 0.207 0.470 0.688
C 225 ALA 0.655 0.525 0.687 0.525
C 226 ARG 0.309 -0.703 0.597 0.145
C 227 ARG 0.320 -0.105 0.260 0.354
C 228 HIS 0.542 0.039 0.412 0.628
C 229 ALA 0.331 -0.155 0.295 0.478
C 230 GLU 0.615 0.020 0.728 0.525
C 231 ALA 0.276 -0.091 0.363 -0.070
C 232 HIS 0.206 -0.503 -0.024 0.359
C 233 ARG 0.388 0.049 0.320 0.428
C 234 SER 0.366 0.095 0.377 0.344
C 235 ARG 0.076 -0.254 0.104 0.061
C 236 ALA 0.523 0.084 0.556 0.391
C 237 ARG 0.397 -0.396 0.395 0.398
C 238 ALA 0.196 -0.306 0.114 0.524
C 239 GLU 0.370 0.016 0.205 0.501
C 240 SER -0.037 -0.624 0.232 -0.574
C 241 LEU 0.474 0.202 0.432 0.517
C 242 LEU 0.399 -0.288 0.120 0.678
C 243 ARG 0.737 0.503 0.674 0.773
C 244 TYR 0.578 -0.022 0.384 0.675
C 245 ASN 0.028 -0.353 -0.099 0.155
C 246 LEU 0.203 -0.324 0.086 0.320
C 247 TYR 0.496 -0.417 0.262 0.614
C 248 VAL 0.372 -0.281 0.445 0.274
C 249 ASP 0.210 -0.418 0.092 0.328
C 250 SER 0.526 0.249 0.502 0.573
C 251 MET 0.028 -0.752 0.539 -0.483
C 252 PRO 0.553 0.181 0.501 0.622
C 253 THR 0.111 -0.578 0.587 -0.523
C 254 ASP 0.041 -0.693 -0.357 0.438
C 255 ASP 0.090 -0.763 -0.117 0.298
C 256 ILE -0.178 -0.758 -0.375 0.019
C 257 PRO 0.153 -0.121 0.238 0.039
C 259 LEU 0.185 0.027 0.231 0.139
C 260 THR -0.021 -0.491 -0.149 0.150
C 261 ASN 0.248 -0.572 0.030 0.467
C 262 GLU 0.060 -0.675 0.124 0.009
C 263 GLN 0.250 -0.481 0.645 -0.066
C 264 VAL 0.434 -0.208 0.708 0.069
C 265 ASN 0.322 -0.292 0.575 0.069
C 266 ARG 0.483 -0.176 0.358 0.555
C 267 MET 0.427 0.164 0.372 0.482
C 268 LEU 0.248 -0.159 0.561 -0.066
C 269 SER 0.341 -0.318 0.510 0.003
C 270 PHE 0.334 -0.271 0.339 0.330
C 271 ALA 0.666 0.487 0.657 0.703
C 272 LEU 0.493 0.003 0.456 0.529
C 273 ASN 0.109 -0.576 0.163 0.054
C 274 SER 0.137 -0.701 0.516 -0.622
C 275 LYS 0.100 -0.511 -0.124 0.279
C 276 LYS 0.350 -0.312 -0.053 0.673
C 277 LEU 0.268 -0.533 0.172 0.364
C 278 LYS -0.074 -0.635 -0.340 0.139
C 279 ASP -0.292 -0.680 -0.303 -0.281
C 280 LYS 0.234 -0.539 -0.211 0.591
C 281 LEU 0.002 -0.499 -0.270 0.274
C 282 MET 0.468 -0.046 0.642 0.293
C 283 ASP 0.372 0.077 0.371 0.374
C 284 THR 0.307 -0.121 0.204 0.444
C 285 SER 0.624 0.450 0.591 0.689
C 286 ALA 0.417 -0.013 0.356 0.664
C 287 LEU 0.353 -0.210 0.328 0.377
C 288 ILE 0.395 -0.219 0.515 0.275
C 289 ALA 0.431 0.193 0.490 0.193
C 290 GLU 0.082 -0.455 -0.041 0.179
C 291 VAL 0.335 -0.082 0.301 0.380
C 292 ASN 0.472 0.233 0.452 0.493
C 293 ILE 0.089 -0.367 0.362 -0.184
C 294 GLU 0.578 0.243 0.389 0.729
C 295 TYR 0.371 -0.292 0.539 0.287
C 296 ALA 0.168 -0.267 0.276 -0.267
C 297 ARG 0.140 -0.185 0.130 0.145
C 298 THR 0.163 -0.368 0.133 0.202
C 299 MET 0.377 0.057 0.291 0.462
C 300 ASN -0.257 -0.754 -0.161 -0.352
C 301 LYS 0.152 -0.413 0.078 0.211
C 302 VAL 0.002 -0.688 -0.152 0.208
C 303 VAL -0.148 -0.478 -0.042 -0.290
C 304 PHE 0.066 -0.371 -0.270 0.258
C 305 ASP 0.025 -0.727 -0.491 0.542
C 306 THR 0.237 -0.142 0.366 0.066
C 307 ALA 0.158 -0.354 0.197 0.002
C 308 LEU 0.040 -0.344 -0.138 0.217
C 309 THR 0.115 -0.439 0.388 -0.248
C 310 ALA 0.264 -0.301 0.196 0.537
C 311 ALA 0.603 0.396 0.646 0.433
C 312 ARG 0.666 0.426 0.623 0.690
C 313 ALA 0.555 0.019 0.508 0.744
C 314 GLU -0.069 -0.625 0.225 -0.303
C 315 ARG 0.330 -0.240 0.175 0.418
C 316 GLU 0.200 -0.229 0.333 0.094
C 317 ALA 0.308 -0.174 0.248 0.547
C 318 ASP 0.360 -0.244 0.333 0.387
C 319 ALA 0.524 0.325 0.574 0.325
C 320 GLU 0.348 -0.085 0.350 0.346
C 321 ALA 0.254 0.005 0.316 0.005
C 322 ALA 0.509 -0.003 0.442 0.777
C 328 VAL 0.361 -0.251 0.559 0.096
C 329 ARG 0.502 -0.608 0.627 0.431
C 330 ARG 0.407 -0.445 0.096 0.585
C 331 SER 0.066 -0.457 0.118 -0.039
C 332 THR 0.378 -0.134 0.471 0.254
C 333 ASN 0.129 -0.319 0.146 0.112
C 334 GLY 0.217 -0.061 0.217 N/A
C 335 GLY 0.666 0.519 0.666 N/A
C 336 VAL -0.006 -0.859 0.394 -0.541
C 337 ALA 0.619 0.330 0.691 0.330
C 338 ALA 0.519 0.213 0.596 0.213
C 339 ALA 0.391 -0.295 0.389 0.399
C 340 VAL 0.131 -0.655 0.159 0.094
C 341 MET 0.366 0.081 0.448 0.285
C 342 ASN 0.584 0.102 0.648 0.519
C 343 VAL 0.256 -0.153 0.484 -0.049
C 344 GLY 0.604 0.458 0.604 N/A
C 345 LYS 0.413 -0.364 0.075 0.682
C 346 PRO 0.351 -0.677 0.571 0.058
C 347 PRO 0.341 -0.144 0.329 0.356
C 348 ALA 0.001 -0.560 -0.008 0.036
C 349 ALA -0.144 -0.662 -0.131 -0.195
C 350 PRO 0.125 -0.190 0.222 -0.003
C 351 GLY 0.555 0.330 0.555 N/A
C 352 ALA 0.652 0.489 0.683 0.525
C 353 PRO 0.610 0.471 0.611 0.609
C 354 LEU 0.554 -0.228 0.573 0.535
C 355 ILE 0.347 -0.355 0.102 0.592
C 356 PRO 0.476 0.296 0.503 0.441
C 357 ILE 0.417 -0.161 0.554 0.280
C 358 LEU 0.495 0.189 0.405 0.586
C 359 GLU -0.170 -0.562 -0.300 -0.066
C 360 ASP 0.075 -0.250 -0.197 0.346
C 361 PHE 0.594 0.338 0.651 0.561
C 362 PRO 0.390 -0.090 0.442 0.321
C 363 ARG 0.205 -0.195 0.249 0.179
C 364 ASP 0.269 -0.412 0.602 -0.064
C 365 PRO 0.232 -0.257 0.351 0.073
C 366 PRO 0.381 0.064 0.217 0.600
C 367 ARG 0.009 -0.423 0.313 -0.166
C 368 PRO 0.036 -0.322 -0.125 0.250
C 369 VAL 0.515 -0.009 0.466 0.580
C 370 PRO 0.315 -0.039 0.252 0.400
C 371 GLU 0.656 0.454 0.710 0.613
C 372 ARG 0.653 0.209 0.592 0.688
C 373 GLY 0.629 0.524 0.629 N/A
C 374 THR 0.737 0.644 0.708 0.775
C 375 VAL 0.711 0.616 0.732 0.684
C 376 PRO 0.752 0.612 0.790 0.702
C 377 VAL 0.602 0.307 0.599 0.606
C 378 GLU 0.612 0.313 0.650 0.582
C 379 GLY 0.766 0.695 0.766 N/A
C 380 GLY 0.619 0.313 0.619 N/A
C 381 GLY 0.747 0.730 0.747 N/A
C 382 ASP 0.685 0.503 0.656 0.714
C 383 PHE 0.597 0.371 0.588 0.602
C 384 PRO 0.730 0.651 0.716 0.749
C 385 GLN 0.343 -0.159 0.293 0.383
C 386 GLN 0.642 0.343 0.654 0.633
C 387 PHE 0.602 0.009 0.736 0.526
C 388 SER 0.583 0.417 0.560 0.630
C 389 GLU 0.425 -0.126 0.599 0.285
C 390 PHE 0.388 -0.177 0.575 0.281
C 391 SER 0.672 0.402 0.655 0.705
C 392 PHE 0.363 -0.119 0.400 0.342
C 393 LYS 0.465 0.111 0.330 0.573
C 394 THR 0.407 -0.119 0.583 0.173
C 395 LEU 0.413 -0.117 0.269 0.558
C 396 LEU 0.611 0.359 0.596 0.626
C 397 THR 0.087 -0.507 0.345 -0.256
C 398 LYS 0.400 -0.088 0.608 0.233
C 399 THR 0.148 -0.384 -0.027 0.381
C 400 GLU 0.188 -0.282 0.218 0.163
C 401 VAL 0.487 0.380 0.527 0.434
C 402 ILE 0.292 -0.032 0.378 0.206
C 403 MET 0.578 0.226 0.534 0.622
C 404 ALA 0.672 0.405 0.672 0.672
C 405 ILE 0.619 -0.093 0.456 0.782
C 406 THR 0.625 0.491 0.626 0.623
C 407 LYS 0.551 -0.176 0.370 0.695
C 408 ILE 0.655 0.371 0.654 0.656
C 409 LYS 0.612 0.067 0.669 0.566
C 410 VAL 0.607 0.438 0.581 0.642
C 411 GLU 0.588 0.149 0.653 0.536
C 412 CYS 0.669 0.293 0.587 0.832
C 413 ALA 0.346 -0.510 0.560 -0.510
C 414 LYS 0.641 0.266 0.638 0.643
C 415 VAL 0.677 0.097 0.582 0.804
C 416 THR 0.679 0.545 0.690 0.663
C 417 LYS 0.562 0.341 0.489 0.620
C 418 MET 0.721 0.570 0.713 0.729
C 419 CYS 0.757 0.680 0.771 0.730
C 420 LEU 0.711 0.576 0.745 0.678
C 421 PHE 0.643 0.316 0.760 0.576
C 422 ASN 0.627 0.514 0.626 0.628
C 423 THR 0.535 0.097 0.575 0.481
C 424 HIS 0.467 -0.396 0.520 0.432
C 425 TYR 0.330 -0.730 0.677 0.157
C 426 THR 0.420 0.096 0.367 0.490
C 427 LYS 0.565 0.249 0.509 0.610
C 428 SER 0.777 0.687 0.792 0.747
C 429 ALA 0.784 0.694 0.806 0.694
C 430 ARG 0.151 -0.421 0.153 0.149
C 431 LEU 0.382 0.069 0.227 0.538
C 432 GLU 0.262 -0.298 0.286 0.242
C 433 GLU 0.026 -0.374 0.028 0.025
C 434 LEU 0.548 0.048 0.525 0.571
C 435 GLU 0.301 -0.581 0.330 0.277
C 436 GLN 0.179 -0.420 0.208 0.155
C 437 THR 0.480 0.039 0.506 0.447
C 438 GLN 0.581 0.148 0.549 0.607
C 439 VAL 0.537 -0.039 0.444 0.662
C 440 ALA 0.510 0.147 0.498 0.561
C 441 ALA 0.681 0.335 0.686 0.659
C 442 LEU 0.473 0.087 0.692 0.253
C 443 ASP 0.565 0.077 0.690 0.440
C 444 SER 0.730 0.624 0.696 0.797
C 445 ALA 0.663 0.410 0.620 0.837
C 446 GLY 0.577 0.049 0.577 N/A
C 447 ASN 0.461 0.107 0.542 0.381
C 448 TYR 0.564 0.383 0.515 0.589
C 449 LEU 0.670 0.379 0.596 0.744
C 450 LYS 0.606 0.164 0.542 0.658
C 451 ASP 0.493 0.169 0.440 0.546
C 452 THR 0.522 0.028 0.702 0.282
C 453 TRP 0.621 0.374 0.731 0.577
C 454 CYS 0.436 -0.174 0.409 0.489
C 455 VAL 0.527 0.107 0.573 0.467
C 456 ALA 0.462 -0.259 0.399 0.713
C 457 LEU 0.565 0.326 0.559 0.571
C 458 ARG 0.541 0.121 0.458 0.588
C 459 ASN 0.541 0.120 0.466 0.616
C 460 ALA 0.449 0.021 0.447 0.459
C 461 ILE 0.375 -0.030 0.273 0.477
C 462 ARG 0.263 -0.535 0.321 0.231
C 463 ASN 0.193 -0.410 0.537 -0.151
C 464 SER 0.649 0.561 0.686 0.575
C 465 PHE 0.167 -0.485 0.495 -0.020
C 466 LYS 0.373 -0.403 0.632 0.165
C 467 ASP -0.224 -0.665 -0.388 -0.060
C 468 VAL 0.012 -0.526 -0.040 0.081
C 469 GLY 0.229 0.034 0.229 N/A
C 470 LYS 0.131 -0.433 0.137 0.126
C 471 GLY 0.377 0.263 0.377 N/A
C 472 TRP 0.268 -0.590 0.497 0.177
C 473 PHE 0.354 -0.304 0.335 0.366
C 474 ASN 0.524 0.186 0.657 0.391
C 475 LEU 0.328 -0.374 0.574 0.081
C 476 GLY 0.536 0.377 0.536 N/A
C 477 GLU 0.566 0.200 0.714 0.446
C 478 ALA 0.594 0.373 0.575 0.667
C 479 SER 0.689 0.501 0.651 0.764
C 480 MET 0.548 -0.119 0.656 0.440
C 481 GLU 0.318 -0.495 0.102 0.491
C 482 THR -0.006 -0.460 -0.195 0.245
C 483 TYR 0.358 -0.442 0.691 0.191
C 484 GLU -0.016 -0.618 -0.255 0.175
C 485 PHE -0.374 -0.709 -0.441 -0.335
C 486 SER 0.453 0.189 0.438 0.485
C 487 LYS 0.485 -0.370 0.721 0.297
C 488 LEU 0.314 -0.418 0.000 0.627
C 489 ARG 0.519 -0.248 0.494 0.534
C 490 LYS 0.479 -0.067 0.610 0.374
C 491 PHE 0.603 0.356 0.437 0.698
C 492 LEU 0.663 0.049 0.550 0.777
C 493 THR 0.587 0.262 0.564 0.618
C 494 LEU 0.662 0.366 0.702 0.622
C 495 THR 0.328 0.092 0.322 0.336
C 496 ARG 0.599 -0.078 0.712 0.535
C 497 PHE 0.544 -0.031 0.630 0.495
C 498 VAL 0.412 -0.312 0.235 0.648
C 499 MET 0.710 0.562 0.650 0.770
C 500 GLU 0.658 -0.209 0.486 0.796
C 501 ASP 0.614 0.248 0.707 0.522
C 502 THR 0.624 0.492 0.602 0.653
C 503 MET 0.612 0.309 0.591 0.633
C 504 ARG 0.694 0.408 0.728 0.675
C 505 ALA 0.669 0.417 0.653 0.732
C 506 LEU 0.742 0.385 0.676 0.808
C 507 VAL 0.730 0.490 0.684 0.793
C 508 GLU 0.370 -0.140 0.580 0.203
C 509 ASP 0.474 0.036 0.539 0.409
C 510 SER 0.702 0.427 0.760 0.585
C 511 LEU 0.716 0.251 0.595 0.837
C 512 GLY 0.790 0.760 0.790 N/A
C 513 LYS 0.644 0.430 0.664 0.628
C 514 PHE 0.603 0.411 0.652 0.574
C 515 THR 0.518 -0.108 0.527 0.507
C 516 GLY 0.749 0.639 0.749 N/A
C 517 PHE 0.674 0.232 0.641 0.693
C 518 ILE 0.560 -0.291 0.414 0.705
C 519 GLN 0.409 -0.461 0.395 0.420
C 520 SER 0.486 0.106 0.489 0.478
C 521 CYS 0.607 0.196 0.569 0.682
C 522 CYS 0.640 0.512 0.661 0.598
C 523 PRO 0.469 -0.203 0.373 0.597
C 524 GLY 0.643 0.455 0.643 N/A
C 525 ARG 0.427 -0.469 0.599 0.328
C 526 VAL 0.452 -0.142 0.607 0.245
C 527 THR 0.494 0.069 0.713 0.203
C 528 VAL 0.580 0.442 0.597 0.559
C 529 HIS 0.604 0.360 0.622 0.591
C 530 SER 0.593 0.424 0.670 0.438
C 531 THR 0.613 0.335 0.710 0.484
C 532 SER 0.713 0.685 0.701 0.737
C 533 SER 0.684 0.526 0.692 0.668
C 534 VAL 0.264 -0.510 0.179 0.378
C 535 GLU 0.274 -0.239 0.350 0.212
C 536 ILE 0.083 -0.554 0.159 0.007
C 537 LEU 0.314 -0.595 0.282 0.345
C 538 ASP 0.210 -0.549 -0.023 0.442
C 539 ALA 0.028 -0.384 0.021 0.056
C 540 SER 0.394 -0.206 0.482 0.217
C 541 SER 0.313 -0.560 0.546 -0.270
C 551 GLY 0.627 0.476 0.627 N/A
C 552 ARG 0.475 0.229 0.456 0.486
C 553 LYS 0.579 0.182 0.691 0.491
C 554 PRO 0.545 0.080 0.467 0.649
C 555 PRO 0.559 0.285 0.555 0.563
C 556 LEU 0.646 0.471 0.773 0.520
C 557 LEU 0.619 0.354 0.701 0.536
C 558 VAL 0.675 0.441 0.766 0.554
C 559 MET 0.652 0.406 0.614 0.690
C 560 ASP 0.506 0.136 0.415 0.597
C 561 LEU 0.498 0.093 0.553 0.444
C 562 ALA 0.546 0.294 0.609 0.294
C 563 THR 0.552 0.135 0.714 0.337
C 564 ASN 0.475 -0.007 0.584 0.366
C 565 LYS 0.214 -0.669 0.320 0.129
C 566 GLU 0.622 0.423 0.635 0.611
C 567 ALA 0.679 0.375 0.755 0.375
C 568 THR 0.641 0.445 0.600 0.697
C 569 ARG 0.331 -0.207 0.439 0.270
C 570 PHE 0.267 -0.200 0.219 0.294
C 571 VAL 0.638 0.308 0.634 0.644
C 572 TYR 0.724 0.329 0.621 0.776
C 573 SER 0.693 0.446 0.707 0.667
C 574 THR 0.505 0.076 0.497 0.516
C 575 GLN 0.495 0.192 0.552 0.449
C 576 PRO 0.585 -0.055 0.495 0.705
C 577 GLU 0.215 -0.496 0.341 0.114
C 578 SER 0.640 0.298 0.706 0.507
C 579 ILE 0.546 -0.040 0.429 0.663
C 580 VAL 0.485 0.269 0.604 0.327
C 581 THR 0.468 -0.497 0.277 0.723
C 582 LYS 0.498 0.003 0.409 0.569
C 583 ILE 0.659 0.338 0.604 0.714
C 584 MET 0.693 0.271 0.567 0.818
C 585 ALA 0.501 0.168 0.584 0.168
C 586 LEU 0.678 0.246 0.623 0.733
C 587 PHE 0.682 0.429 0.624 0.715
C 588 ASP 0.544 -0.197 0.447 0.642
C 589 ALA 0.626 0.346 0.696 0.346
C 590 ALA 0.599 0.217 0.636 0.450
C 591 ILE 0.734 0.488 0.692 0.777
C 592 GLY 0.672 0.556 0.672 N/A
C 593 ARG 0.362 -0.349 0.409 0.336
C 594 THR 0.634 0.351 0.590 0.694
C 595 GLN 0.586 0.167 0.528 0.632
C 596 GLY -0.103 -0.496 -0.103 N/A
C 597 LEU 0.663 0.417 0.652 0.675
C 598 HIS 0.698 0.275 0.602 0.762
C 599 THR 0.480 0.149 0.497 0.457
C 600 LEU 0.608 0.334 0.600 0.617
C 601 GLU 0.144 -0.459 0.339 -0.012
C 602 PRO 0.617 0.407 0.703 0.502
C 603 ALA 0.473 0.270 0.418 0.690
C 604 ILE 0.626 0.185 0.655 0.597
C 605 MET 0.440 0.149 0.448 0.432
C 606 GLU 0.184 -0.617 0.195 0.175
C 607 ASN 0.250 -0.460 0.403 0.097
C 608 LEU 0.604 -0.067 0.754 0.455
C 609 PHE -0.166 -0.615 -0.065 -0.223
C 610 TRP 0.458 -0.406 0.698 0.362
C 611 ALA 0.278 -0.071 0.233 0.457
C 612 THR 0.463 -0.231 0.353 0.610
C 613 ALA 0.640 0.431 0.692 0.431
C 614 PRO 0.650 0.463 0.585 0.737
C 615 VAL 0.649 0.373 0.674 0.616
C 616 LEU 0.662 0.475 0.683 0.641
C 617 SER 0.719 0.513 0.703 0.750
C 618 THR 0.654 0.373 0.730 0.553
C 619 VAL 0.734 0.617 0.733 0.736
C 620 HIS 0.638 0.433 0.606 0.660
C 621 GLN 0.759 0.439 0.663 0.836
C 622 GLN 0.655 0.422 0.639 0.668
C 623 GLU 0.488 -0.031 0.514 0.467
C 624 GLU 0.661 0.280 0.629 0.686
C 625 ILE 0.399 -0.311 0.278 0.520
C 626 VAL 0.708 0.364 0.695 0.724
C 627 VAL 0.634 0.082 0.535 0.765
C 628 ARG 0.645 0.278 0.685 0.622
C 629 HIS 0.784 0.513 0.751 0.805
C 630 ARG 0.694 0.540 0.705 0.689
C 631 GLU 0.325 -0.113 0.472 0.207
C 632 LEU 0.644 0.485 0.669 0.619
C 633 LEU 0.603 -0.120 0.444 0.763
C 634 ARG 0.691 0.514 0.643 0.718
C 635 ALA 0.637 0.538 0.662 0.538
C 636 ALA 0.641 0.325 0.659 0.569
C 637 LEU 0.623 0.351 0.609 0.637
C 638 SER 0.463 0.159 0.496 0.398
C 639 ALA 0.560 0.444 0.589 0.444
C 640 ALA 0.494 0.100 0.447 0.683
C 641 LEU 0.395 0.065 0.336 0.455
C 642 VAL 0.329 -0.543 0.226 0.466
C 643 PRO 0.516 0.311 0.473 0.575
C 644 LEU 0.634 0.198 0.566 0.702
C 645 GLU 0.534 0.105 0.432 0.614
C 646 GLU 0.320 -0.369 0.243 0.381
C 647 TYR 0.490 0.137 0.430 0.519
C 648 MET 0.722 0.599 0.682 0.763
C 649 ALA 0.278 -0.281 0.223 0.500
C 650 LYS 0.596 -0.014 0.428 0.730
C 651 PHE 0.324 -0.342 0.531 0.206
C 652 GLU 0.493 -0.302 0.527 0.465
C 653 LYS 0.566 0.313 0.603 0.536
C 654 TYR 0.584 0.235 0.540 0.606
C 655 VAL 0.209 -0.478 0.020 0.460
C 656 PRO 0.590 0.403 0.610 0.563
C 657 LEU 0.540 0.154 0.720 0.359
C 658 LEU 0.650 0.505 0.698 0.602
C 659 GLN 0.623 0.196 0.591 0.649
C 660 LEU 0.580 0.333 0.537 0.622
C 661 ASN 0.494 0.153 0.517 0.470
C 662 VAL 0.471 0.081 0.535 0.385
C 663 GLU 0.542 0.323 0.504 0.572
C 664 SER 0.580 0.080 0.545 0.650
C 665 TYR 0.494 -0.523 0.168 0.657
C 666 VAL -0.100 -0.507 -0.286 0.148
C 667 ALA 0.127 -0.240 0.127 0.129
C 668 ALA 0.463 0.259 0.514 0.259
C 669 LEU 0.396 0.002 0.406 0.385
C 670 GLU 0.330 -0.180 0.279 0.371
C 671 ALA 0.334 -0.738 0.602 -0.738
C 672 LYS 0.154 -0.530 0.515 -0.134
C 673 GLY 0.484 0.181 0.484 N/A
C 674 GLU 0.515 -0.044 0.472 0.550
C 675 GLU 0.320 -0.323 0.401 0.255
C 676 LEU 0.178 -0.313 0.099 0.257
C 677 SER 0.508 -0.233 0.433 0.659
C 678 LEU 0.378 0.215 0.354 0.401
C 679 THR 0.445 0.218 0.519 0.345
C 680 GLU 0.193 -0.466 0.452 -0.014
C 681 VAL 0.532 0.249 0.627 0.405
C 682 ARG 0.227 -0.139 0.413 0.120
C 683 ALA 0.083 -0.621 0.041 0.253
C 684 GLU 0.394 0.088 0.374 0.410
C 685 ILE 0.291 -0.117 0.317 0.265
C 686 LYS 0.090 -0.275 0.121 0.065
C 687 ARG 0.372 0.097 0.280 0.424
C 688 ALA 0.104 -0.257 0.194 -0.257
C 689 SER 0.300 -0.292 0.478 -0.056
C 690 ALA 0.324 0.006 0.345 0.240
C 691 ASP 0.270 -0.275 0.310 0.230
C 692 LEU 0.544 0.106 0.658 0.430
C 693 GLU 0.315 -0.046 0.405 0.244
C 694 SER 0.019 -0.517 0.242 -0.426
C 695 LEU 0.359 -0.293 0.168 0.551
C 696 MET 0.537 0.062 0.490 0.584
C 697 GLU 0.355 -0.469 0.055 0.595
C 698 SER 0.094 -0.569 0.214 -0.146
C 699 VAL 0.610 0.360 0.598 0.627
C 700 PRO 0.633 0.273 0.604 0.673
C 701 ILE 0.395 0.018 0.447 0.343
C 702 GLY 0.657 0.579 0.657 N/A
C 703 ILE 0.560 0.053 0.428 0.693
C 704 SER 0.532 0.106 0.423 0.749
C 705 LEU 0.649 0.244 0.690 0.609
C 706 GLY 0.629 0.261 0.629 N/A
C 707 LEU 0.739 0.598 0.698 0.779
C 708 VAL 0.518 -0.196 0.323 0.779
C 709 GLN 0.571 0.264 0.498 0.630
C 710 ILE 0.519 0.318 0.587 0.452
C 711 ASN 0.378 0.029 0.428 0.329
C 712 LEU 0.417 -0.247 0.199 0.634
C 713 VAL 0.388 0.193 0.357 0.430
C 714 LYS 0.616 0.281 0.541 0.676
C 715 THR 0.340 -0.375 0.376 0.292
C 716 ARG 0.440 0.040 0.214 0.569
C 717 GLU 0.543 -0.102 0.331 0.713
C 718 LEU 0.635 0.392 0.518 0.751
C 719 LEU 0.288 -0.540 0.106 0.470
C 720 VAL 0.173 -0.715 0.052 0.333
C 721 LYS 0.402 -0.193 0.298 0.485
C 722 LYS 0.296 -0.493 0.095 0.457
C 723 GLN 0.320 -0.763 -0.004 0.579
C 724 GLU 0.273 -0.519 0.021 0.474
C 725 LYS 0.469 0.171 0.563 0.394
C 726 LEU 0.340 -0.071 0.319 0.362
C 727 VAL 0.163 0.038 0.240 0.062
C 728 ALA 0.615 0.458 0.622 0.587
C 729 LEU 0.370 -0.236 0.130 0.611
C 730 LEU 0.412 0.110 0.298 0.526
C 731 LYS 0.286 -0.307 0.396 0.198
C 732 ALA 0.043 -0.479 0.142 -0.354
C 733 LEU 0.057 -0.381 -0.215 0.330
C 734 ALA 0.548 0.363 0.537 0.591
C 735 ALA 0.255 0.008 0.317 0.008
C 736 ARG 0.125 -0.785 0.040 0.174
C 737 VAL 0.353 0.013 0.424 0.257
C 738 PRO 0.244 -0.061 0.227 0.266
C 739 ARG -0.008 -0.671 0.170 -0.109
C 740 ARG -0.112 -0.572 -0.015 -0.167
C 741 ALA 0.282 -0.200 0.257 0.384
C 742 MET 0.052 -0.404 -0.166 0.270
C 743 ALA -0.020 -0.462 -0.001 -0.094
C 744 SER 0.303 -0.307 0.122 0.665
C 745 VAL 0.310 -0.195 0.455 0.116
C 746 SER 0.611 0.402 0.636 0.561
C 747 THR 0.240 -0.641 0.045 0.500
C 748 LYS -0.016 -0.698 -0.022 -0.010
C 749 PHE -0.047 -0.758 0.148 -0.158
C 750 ALA 0.374 -0.268 0.366 0.410
C 751 GLU 0.125 -0.443 -0.044 0.260
C 752 ILE 0.225 -0.293 0.250 0.199
C 753 ASP 0.281 0.014 0.383 0.179
C 754 ARG 0.103 -0.667 0.625 -0.196
C 755 ALA 0.290 -0.325 0.315 0.187
C 756 LEU 0.263 -0.535 0.110 0.415
C 757 LYS 0.372 -0.222 0.525 0.250
C 758 ALA 0.398 -0.058 0.512 -0.058
C 759 LYS 0.196 -0.653 0.053 0.310
C 760 ALA 0.314 -0.486 0.237 0.626
C 761 ASN 0.035 -0.357 -0.175 0.246
C 762 ASN -0.243 -0.679 -0.164 -0.322
C 763 LEU 0.081 -0.703 0.270 -0.108
C 764 GLU -0.017 -0.605 -0.021 -0.014
C 765 ASP 0.298 -0.786 0.120 0.477
C 766 VAL 0.311 -0.224 0.161 0.510
C 767 ASP 0.138 -0.315 -0.067 0.344
C 768 GLU 0.332 -0.428 0.139 0.487
C 769 GLN -0.113 -0.816 -0.082 -0.139
C 770 ARG 0.070 -0.691 0.457 -0.151
C 771 HIS -0.159 -0.841 -0.119 -0.186
C 772 TYR 0.131 -0.635 -0.062 0.228
C 773 ILE 0.104 -0.401 -0.031 0.238
C 774 GLU 0.386 0.033 0.418 0.361
C 775 SER 0.152 -0.198 0.311 -0.167
C 776 LEU 0.178 -0.104 0.237 0.119
C 777 PRO 0.122 -0.508 -0.020 0.312
C 778 ASN 0.042 -0.229 0.152 -0.067
C 779 LYS 0.328 -0.268 0.553 0.148
C 780 VAL 0.050 -0.484 0.409 -0.427
C 781 TYR -0.108 -0.598 0.174 -0.249
C 782 GLU 0.217 -0.706 -0.063 0.440
C 783 LEU 0.131 -0.494 -0.009 0.271
C 784 MET 0.204 -0.591 -0.209 0.617
C 785 ALA 0.084 -0.560 -0.002 0.430
C 786 ASP 0.150 -0.513 0.069 0.230
C 787 VAL -0.171 -0.652 -0.326 0.036
C 788 GLU 0.453 -0.531 0.074 0.756
C 789 ALA 0.279 0.021 0.343 0.021
C 790 GLN 0.175 -0.594 -0.080 0.380
C 791 ARG 0.340 -0.208 0.687 0.142
C 792 GLY 0.013 -0.498 0.013 N/A
C 793 TRP 0.271 -0.204 0.056 0.357
C 794 TYR 0.143 -0.416 0.338 0.045
C 795 GLU 0.397 0.171 0.448 0.356
C 796 LEU 0.130 -0.399 0.149 0.112
C 797 LEU 0.154 -0.286 0.342 -0.034
C 798 GLU -0.095 -0.750 0.184 -0.318
C 799 GLY 0.387 0.109 0.387 N/A
C 800 MET 0.203 -0.506 0.100 0.307
C 801 ARG 0.427 -0.527 0.622 0.315
C 802 TYR 0.383 -0.357 0.225 0.462
C 803 LEU 0.080 -0.355 0.144 0.016
C 804 LEU 0.522 0.205 0.481 0.563
C 805 PRO 0.501 -0.140 0.548 0.438
C 806 GLU 0.535 0.324 0.530 0.538
C 807 GLU 0.247 -0.059 0.128 0.342
C 808 ASP 0.091 -0.523 0.464 -0.282
C 809 LEU 0.270 -0.340 0.461 0.079
C 810 LYS 0.093 -0.654 0.386 -0.142
C 811 GLU 0.268 -0.377 0.455 0.117
C 812 LYS 0.485 0.041 0.444 0.518
C 813 PHE 0.226 -0.619 0.378 0.140
C 814 ALA 0.267 0.078 0.281 0.213
C 815 GLY 0.279 -0.375 0.279 N/A
C 816 GLU 0.092 -0.490 0.345 -0.110
C 817 SER 0.191 -0.248 0.393 -0.213
C 818 TRP 0.148 -0.730 -0.268 0.314
C 819 GLY 0.294 -0.259 0.294 N/A
C 820 MET 0.310 -0.667 0.604 0.015
C 821 ARG 0.072 -0.730 0.132 0.038
C 822 LEU 0.340 -0.182 0.216 0.464
C 823 THR 0.126 -0.455 0.051 0.226
C 824 ARG 0.146 -0.559 0.057 0.197
C 825 GLN 0.130 -0.592 0.170 0.097
C 826 ALA 0.365 0.155 0.392 0.259
C 827 GLU 0.237 -0.645 0.010 0.418
C 828 LYS 0.219 -0.451 0.163 0.263
C 829 GLN 0.121 -0.721 -0.202 0.379
C 830 LEU 0.086 -0.378 0.144 0.028
C 831 GLU 0.418 -0.504 0.328 0.490
C 832 VAL -0.124 -0.783 -0.501 0.379
C 833 LEU 0.273 -0.368 0.053 0.492
C 834 ALA -0.180 -0.391 -0.127 -0.391
C 835 GLY 0.278 -0.365 0.278 N/A
C 836 ASP 0.021 -0.656 0.263 -0.221
C 837 GLU 0.050 -0.394 0.071 0.034
C 838 ALA -0.086 -0.482 -0.263 0.618
C 839 ARG 0.208 -0.589 0.048 0.299
C 840 PHE 0.039 -0.485 0.107 -0.000
C 841 LYS 0.116 -0.466 0.213 0.039
C 842 GLY 0.335 -0.052 0.335 N/A
C 843 GLU 0.100 -0.762 -0.369 0.476
C 844 MET -0.140 -0.796 -0.267 -0.014
C 845 ILE 0.235 -0.357 0.185 0.285
C 846 THR 0.125 -0.527 0.136 0.110
C 847 GLU -0.026 -0.532 -0.111 0.042
C 848 GLN -0.027 -0.527 -0.280 0.175
C 849 ASP 0.272 -0.231 0.018 0.526
C 850 MET 0.186 -0.432 -0.017 0.389
C 851 PHE -0.020 -0.633 -0.170 0.065
C 852 ARG -0.071 -0.678 -0.027 -0.097
C 853 ASP -0.140 -0.733 -0.180 -0.090
Overall mean Q-Score: 0.38
> style #4 stick
Changed 7808 atom styles
> color #4 byhetero
> qscore #4 toVolume #1 useGui false pointsPerShell 8 shellRadiusStep 0.100
> maxShellRadius 2.00 referenceGaussianSigma 0.60 logDetails true assignAttr
> false
WARNING: the following residues in #4 have atoms outside the bounds of volume
#1 and will be excluded from the Q-score calculation:
#4/A:874,942,946,958,962,965-966,969,972-973,976,979,982-999
Chain Number Name Qavg Qworst Qbb Qsc
-------------------------------------------------------
A 1 MET 0.031 -0.737 -0.416 0.478
A 2 PRO -0.415 -0.741 -0.289 -0.583
A 3 GLY 0.103 -0.065 0.103 N/A
A 4 VAL 0.057 -0.326 -0.088 0.251
A 5 ALA 0.134 -0.499 0.109 0.233
A 6 VAL -0.132 -0.578 -0.317 0.115
A 7 LEU 0.365 -0.051 0.295 0.436
A 8 GLY 0.293 -0.292 0.293 N/A
A 9 THR 0.054 -0.486 -0.062 0.208
A 10 LYS -0.029 -0.531 -0.177 0.089
A 11 GLY -0.122 -0.598 -0.122 N/A
A 12 VAL -0.161 -0.486 -0.042 -0.319
A 13 VAL -0.055 -0.588 0.006 -0.136
A 14 PRO -0.344 -0.849 -0.336 -0.355
A 15 LYS -0.204 -0.684 -0.310 -0.120
A 16 PRO -0.114 -0.758 -0.273 0.099
A 17 LYS 0.242 -0.457 -0.169 0.570
A 18 ALA 0.133 -0.204 0.218 -0.204
A 19 ARG 0.025 -0.654 -0.016 0.048
A 20 PHE 0.205 -0.315 0.098 0.267
A 21 GLY 0.468 0.320 0.468 N/A
A 22 ALA 0.236 -0.513 0.286 0.038
A 23 ARG -0.103 -0.805 0.226 -0.292
A 24 PRO -0.109 -0.697 -0.143 -0.063
A 25 GLN 0.118 -0.784 -0.358 0.499
A 26 PRO -0.199 -0.732 -0.308 -0.053
A 27 VAL -0.080 -0.525 -0.063 -0.102
A 28 ALA -0.173 -0.452 -0.267 0.202
A 29 GLN 0.074 -0.565 0.106 0.049
A 30 ASP -0.142 -0.810 0.130 -0.415
A 31 ALA 0.107 -0.059 0.090 0.172
A 32 THR 0.010 -0.644 0.330 -0.417
A 33 GLY 0.063 -0.663 0.063 N/A
A 34 THR -0.353 -0.679 -0.466 -0.202
A 35 SER 0.130 -0.546 -0.050 0.489
A 36 ALA -0.451 -0.750 -0.493 -0.281
A 37 GLU 0.154 -0.547 0.171 0.140
A 38 ALA -0.014 -0.672 -0.185 0.666
A 39 ALA 0.271 -0.285 0.218 0.481
A 40 ALA -0.224 -0.725 -0.141 -0.556
A 41 PRO 0.151 -0.518 -0.003 0.357
A 42 ALA 0.179 -0.128 0.255 -0.128
A 43 VAL 0.009 -0.315 -0.051 0.089
A 44 GLN 0.270 -0.658 0.133 0.380
A 45 ASP -0.059 -0.687 -0.117 -0.002
A 46 GLU 0.173 -0.462 -0.101 0.393
A 47 PRO 0.351 -0.213 0.264 0.467
A 48 THR 0.182 -0.600 -0.060 0.505
A 49 GLN -0.148 -0.649 -0.032 -0.241
A 50 GLU 0.105 -0.570 -0.202 0.350
A 51 GLY 0.321 -0.085 0.321 N/A
A 52 SER 0.081 -0.379 0.023 0.196
A 53 GLN -0.012 -0.703 -0.165 0.111
A 54 ALA -0.163 -0.706 -0.028 -0.706
A 55 SER 0.133 -0.114 0.188 0.022
A 56 VAL 0.020 -0.604 -0.064 0.131
A 57 PHE 0.088 -0.468 -0.005 0.141
A 58 ASP -0.066 -0.797 -0.059 -0.073
A 59 GLU -0.023 -0.586 -0.003 -0.038
A 60 VAL -0.145 -0.754 -0.312 0.079
A 61 GLU -0.069 -0.617 -0.093 -0.050
A 62 SER -0.315 -0.708 -0.254 -0.437
A 63 ASP 0.012 -0.330 0.034 -0.011
A 64 GLU 0.092 -0.389 0.386 -0.143
A 65 VAL 0.192 -0.528 0.234 0.136
A 66 THR 0.296 -0.247 0.215 0.404
A 67 TYR 0.100 -0.558 0.486 -0.093
A 68 SER -0.455 -0.784 -0.402 -0.561
A 69 HIS 0.332 -0.245 0.049 0.520
A 70 LEU 0.261 -0.225 0.451 0.071
A 71 LEU 0.220 -0.210 0.323 0.118
A 72 PRO -0.334 -0.570 -0.304 -0.373
A 73 LYS 0.047 -0.723 0.053 0.042
A 74 VAL 0.010 -0.701 0.444 -0.570
A 75 MET 0.227 -0.335 0.392 0.062
A 76 ALA -0.313 -0.455 -0.287 -0.416
A 77 PRO 0.391 0.281 0.395 0.385
A 78 PHE -0.105 -0.626 0.219 -0.290
A 79 GLU 0.288 -0.123 0.409 0.192
A 80 THR 0.282 -0.335 0.594 -0.134
A 81 ARG 0.103 -0.796 0.242 0.023
A 82 SER 0.123 -0.696 0.038 0.294
A 83 GLY -0.364 -0.658 -0.364 N/A
A 84 GLU -0.105 -0.784 -0.186 -0.040
A 85 THR 0.200 -0.305 -0.063 0.552
A 86 PRO -0.183 -0.613 -0.214 -0.142
A 87 ARG -0.044 -0.445 -0.128 0.005
A 88 LYS 0.045 -0.519 0.003 0.078
A 89 VAL 0.103 -0.522 -0.195 0.501
A 90 LEU 0.079 -0.202 0.187 -0.029
A 91 ILE -0.228 -0.522 -0.190 -0.265
A 92 GLN -0.057 -0.349 0.096 -0.179
A 93 ARG 0.035 -0.603 -0.024 0.069
A 94 ARG 0.322 -0.076 0.424 0.264
A 95 ARG 0.213 -0.653 0.558 0.016
A 96 ARG 0.417 -0.515 0.269 0.502
A 97 GLN 0.016 -0.629 0.155 -0.095
A 98 PHE 0.357 -0.330 0.322 0.376
A 99 ALA 0.404 -0.125 0.453 0.210
A 100 ALA 0.344 0.152 0.384 0.184
A 101 GLN 0.515 0.109 0.589 0.456
A 102 ASP 0.328 -0.355 0.145 0.511
A 103 VAL 0.367 0.092 0.294 0.465
A 104 ALA 0.191 -0.489 0.148 0.366
A 105 GLU 0.234 -0.366 0.362 0.132
A 106 LEU 0.268 -0.247 0.120 0.417
A 107 VAL 0.010 -0.254 0.028 -0.014
A 108 HIS 0.424 -0.195 0.430 0.420
A 109 GLY 0.371 -0.275 0.371 N/A
A 110 GLU 0.412 -0.103 0.482 0.357
A 111 GLY 0.117 -0.424 0.117 N/A
A 112 VAL 0.306 -0.430 0.592 -0.075
A 113 ALA 0.385 0.047 0.353 0.510
A 114 GLN 0.319 -0.267 0.185 0.426
A 115 PRO 0.399 -0.196 0.252 0.595
A 116 PRO -0.365 -0.640 -0.348 -0.387
A 117 GLN 0.102 -0.277 0.124 0.084
A 118 GLU 0.166 -0.474 0.163 0.168
A 119 LEU -0.118 -0.729 0.212 -0.449
A 120 PHE 0.135 -0.669 -0.024 0.226
A 121 PRO 0.311 0.008 0.308 0.314
A 122 LEU 0.425 0.149 0.553 0.297
A 123 GLU 0.435 0.040 0.410 0.456
A 124 VAL 0.302 -0.297 0.053 0.633
A 125 PHE 0.333 -0.386 -0.042 0.548
A 126 ASP 0.520 0.298 0.609 0.431
A 127 ASN 0.188 -0.502 0.210 0.167
A 128 THR -0.030 -0.619 -0.109 0.075
A 129 ASN 0.276 -0.486 0.454 0.098
A 130 PHE 0.302 -0.369 0.152 0.387
A 131 GLU 0.059 -0.618 -0.119 0.203
A 132 SER -0.106 -0.364 -0.136 -0.045
A 133 ARG 0.121 -0.442 -0.305 0.364
A 134 MET 0.166 -0.439 0.191 0.142
A 135 HIS 0.224 -0.397 0.029 0.354
A 136 PRO -0.117 -0.539 -0.101 -0.139
A 137 GLU 0.519 0.235 0.656 0.409
A 138 TRP 0.241 -0.319 0.006 0.336
A 139 VAL 0.281 -0.063 0.297 0.258
A 140 PRO 0.250 -0.605 0.296 0.189
A 141 ARG 0.202 -0.100 0.151 0.232
A 142 ARG 0.258 -0.423 0.437 0.156
A 143 PRO -0.146 -0.795 -0.466 0.281
A 144 GLY -0.140 -0.600 -0.140 N/A
A 145 VAL 0.175 -0.294 0.228 0.104
A 146 PRO -0.258 -0.738 -0.139 -0.418
A 147 LEU -0.003 -0.498 -0.188 0.182
A 148 THR 0.311 0.027 0.227 0.422
A 149 SER 0.127 -0.134 0.198 -0.016
A 150 GLY 0.369 0.242 0.369 N/A
A 151 ARG 0.191 -0.466 0.386 0.080
A 152 ALA 0.371 0.161 0.392 0.288
A 153 LEU 0.403 -0.039 0.649 0.157
A 154 VAL 0.258 -0.656 0.018 0.577
A 155 ALA 0.572 0.203 0.664 0.203
A 156 HIS 0.436 0.085 0.436 0.436
A 157 ASP 0.067 -0.343 0.138 -0.005
A 158 ASP -0.104 -0.551 0.082 -0.290
A 159 GLY 0.229 -0.415 0.229 N/A
A 160 THR 0.240 -0.083 0.102 0.424
A 161 GLY 0.069 -0.127 0.069 N/A
A 162 HIS -0.125 -0.729 -0.194 -0.079
A 163 SER 0.114 -0.309 0.103 0.137
A 164 VAL 0.326 0.011 0.478 0.124
A 165 VAL 0.298 -0.276 0.160 0.482
A 166 ASP 0.235 -0.459 0.381 0.089
A 167 TRP 0.282 -0.187 0.329 0.263
A 168 VAL 0.309 -0.212 0.155 0.516
A 169 PRO 0.169 -0.580 0.129 0.221
A 170 CYS 0.225 -0.171 0.251 0.172
A 171 THR 0.052 -0.553 0.448 -0.476
A 172 VAL -0.211 -0.553 -0.097 -0.362
A 173 VAL 0.062 -0.587 -0.179 0.383
A 174 ASP 0.017 -0.483 -0.075 0.109
A 175 PHE 0.093 -0.360 0.393 -0.078
A 176 ASP 0.490 0.252 0.490 0.490
A 177 GLU 0.448 -0.810 0.534 0.379
A 178 ALA 0.164 -0.342 0.065 0.559
A 179 THR 0.485 0.112 0.473 0.501
A 180 ASN 0.223 -0.206 0.391 0.055
A 181 SER 0.359 -0.122 0.458 0.162
A 182 TYR 0.532 0.189 0.529 0.534
A 183 GLY 0.284 0.116 0.284 N/A
A 184 VAL 0.443 -0.014 0.400 0.499
A 185 THR -0.011 -0.472 -0.100 0.107
A 186 LEU 0.252 -0.201 0.415 0.089
A 187 HIS 0.008 -0.538 -0.229 0.165
A 188 GLN -0.013 -0.594 0.331 -0.288
A 189 LEU 0.115 -0.438 0.138 0.092
A 190 ALA 0.252 -0.371 0.232 0.330
A 191 HIS 0.100 -0.369 0.493 -0.162
A 192 SER 0.081 -0.073 0.036 0.170
A 193 GLY 0.362 -0.121 0.362 N/A
A 194 ASN -0.011 -0.598 -0.230 0.208
A 195 GLY -0.140 -0.539 -0.140 N/A
A 196 SER -0.141 -0.585 -0.103 -0.219
A 197 ALA 0.067 -0.438 -0.043 0.510
A 198 GLU -0.191 -0.589 -0.077 -0.282
A 199 ALA 0.228 -0.559 0.425 -0.559
A 200 ASP -0.085 -0.759 -0.096 -0.074
A 201 ALA -0.049 -0.449 0.026 -0.351
A 202 GLU -0.159 -0.664 -0.126 -0.186
A 203 ASP -0.097 -0.798 -0.225 0.032
A 204 MET 0.197 -0.113 0.264 0.130
A 205 HIS 0.419 -0.223 0.406 0.427
A 206 VAL -0.063 -0.474 0.074 -0.246
A 207 MET 0.071 -0.466 -0.318 0.461
A 208 TRP 0.324 -0.274 -0.097 0.493
A 209 LEU 0.453 -0.090 0.338 0.569
A 210 PRO 0.471 0.090 0.241 0.777
A 211 ARG 0.385 -0.225 0.223 0.477
A 212 VAL 0.482 -0.015 0.355 0.651
A 213 LYS 0.621 0.331 0.732 0.531
A 214 VAL 0.220 -0.319 0.505 -0.159
A 215 CYS 0.306 -0.211 0.414 0.091
A 216 PHE 0.094 -0.273 -0.076 0.191
A 217 SER 0.192 -0.336 0.102 0.374
A 218 ALA 0.443 0.272 0.440 0.454
A 219 GLU 0.214 -0.412 0.496 -0.011
A 220 ASP -0.023 -0.574 -0.221 0.176
A 221 PRO 0.397 0.070 0.280 0.554
A 222 ALA 0.139 -0.684 0.133 0.165
A 223 GLN 0.425 -0.191 0.410 0.437
A 224 PHE 0.443 -0.585 0.086 0.647
A 225 ALA 0.357 -0.146 0.383 0.252
A 226 ARG 0.214 -0.496 0.387 0.116
A 227 ARG 0.026 -0.614 0.227 -0.090
A 228 HIS 0.583 0.071 0.433 0.684
A 229 ALA 0.419 0.040 0.366 0.630
A 230 GLU 0.543 -0.079 0.497 0.580
A 231 ALA 0.252 -0.143 0.266 0.195
A 232 HIS 0.641 0.494 0.649 0.636
A 233 ARG 0.244 -0.474 0.076 0.340
A 234 SER 0.511 -0.151 0.416 0.700
A 235 ARG 0.521 -0.180 0.391 0.595
A 236 ALA 0.480 0.031 0.470 0.519
A 237 ARG 0.610 0.055 0.436 0.710
A 238 ALA 0.251 -0.573 0.227 0.346
A 239 GLU 0.311 -0.275 0.237 0.370
A 240 SER 0.381 0.201 0.316 0.511
A 241 LEU 0.480 -0.021 0.573 0.387
A 242 LEU 0.305 0.076 0.453 0.157
A 243 ARG 0.038 -0.658 0.218 -0.064
A 244 TYR 0.310 -0.659 0.187 0.372
A 245 ASN 0.399 -0.548 0.214 0.584
A 246 LEU 0.388 -0.351 0.208 0.568
A 247 TYR 0.519 0.233 0.474 0.541
A 248 VAL 0.467 0.093 0.450 0.490
A 249 ASP 0.159 -0.232 0.382 -0.064
A 250 SER 0.207 -0.235 0.025 0.570
A 251 MET 0.330 -0.004 0.202 0.458
A 252 PRO -0.095 -0.502 -0.014 -0.202
A 253 THR -0.047 -0.506 -0.019 -0.085
A 254 ASP -0.360 -0.648 -0.298 -0.423
A 255 ASP -0.050 -0.642 0.175 -0.276
A 256 ILE 0.053 -0.847 0.065 0.041
A 257 PRO 0.020 -0.650 -0.010 0.060
A 258 PRO 0.293 -0.376 0.378 0.179
A 259 LEU 0.189 -0.272 0.078 0.301
A 260 THR 0.330 -0.038 0.356 0.295
A 261 ASN 0.165 -0.209 0.310 0.020
A 262 GLU 0.227 -0.175 0.508 0.002
A 263 GLN 0.326 -0.003 0.316 0.333
A 264 VAL 0.316 -0.161 0.384 0.225
A 265 ASN 0.289 -0.291 0.299 0.279
A 266 ARG -0.254 -0.685 0.010 -0.405
A 267 MET 0.149 -0.523 0.124 0.175
A 268 LEU 0.454 -0.154 0.473 0.435
A 269 SER 0.511 0.382 0.558 0.418
A 270 PHE -0.110 -0.611 0.197 -0.286
A 271 ALA 0.484 -0.182 0.425 0.721
A 272 LEU 0.340 -0.173 0.361 0.319
A 273 ASN 0.295 -0.501 0.122 0.467
A 274 SER 0.164 -0.639 0.451 -0.409
A 275 LYS -0.068 -0.746 0.084 -0.189
A 276 LYS -0.073 -0.765 -0.233 0.054
A 277 LEU 0.322 -0.187 0.412 0.231
A 278 LYS 0.440 -0.420 0.336 0.524
A 279 ASP -0.220 -0.670 -0.134 -0.305
A 280 LYS 0.254 -0.407 0.245 0.260
A 281 LEU 0.459 0.138 0.456 0.461
A 282 MET 0.285 -0.189 0.266 0.304
A 283 ASP 0.252 -0.169 -0.045 0.550
A 284 THR 0.078 -0.590 -0.374 0.681
A 285 SER 0.380 0.062 0.381 0.377
A 286 ALA 0.187 -0.496 0.096 0.551
A 287 LEU 0.395 -0.138 0.343 0.448
A 288 ILE 0.119 -0.524 0.498 -0.261
A 289 ALA 0.169 -0.665 0.126 0.338
A 290 GLU 0.249 -0.397 0.317 0.194
A 291 VAL 0.571 0.452 0.477 0.695
A 292 ASN 0.527 0.087 0.593 0.460
A 293 ILE 0.292 -0.086 0.232 0.353
A 294 GLU 0.403 -0.011 0.615 0.233
A 295 TYR 0.366 0.019 0.243 0.427
A 296 ALA 0.149 -0.746 0.135 0.202
A 297 ARG -0.042 -0.666 0.301 -0.238
A 298 THR 0.542 0.127 0.488 0.613
A 299 MET 0.430 -0.189 0.371 0.489
A 300 ASN 0.382 0.030 0.313 0.451
A 301 LYS 0.330 -0.307 0.443 0.240
A 302 VAL 0.428 0.066 0.570 0.239
A 303 VAL 0.233 -0.220 0.312 0.129
A 304 PHE 0.409 -0.013 0.271 0.488
A 305 ASP 0.474 0.061 0.325 0.623
A 306 THR 0.215 -0.326 0.307 0.093
A 307 ALA 0.555 0.068 0.677 0.068
A 308 LEU 0.469 0.083 0.412 0.527
A 309 THR 0.293 -0.214 0.422 0.122
A 310 ALA 0.402 -0.063 0.340 0.646
A 311 ALA 0.465 0.026 0.575 0.026
A 312 ARG 0.030 -0.726 0.260 -0.102
A 313 ALA 0.272 -0.516 0.469 -0.516
A 314 GLU 0.329 -0.133 0.500 0.191
A 315 ARG -0.035 -0.485 0.304 -0.229
A 316 GLU 0.075 -0.502 0.276 -0.086
A 317 ALA 0.246 -0.029 0.294 0.056
A 318 ASP 0.183 -0.326 0.135 0.231
A 319 ALA 0.407 -0.062 0.453 0.225
A 320 GLU -0.014 -0.282 -0.041 0.007
A 321 ALA 0.071 -0.371 0.021 0.269
A 322 ALA -0.096 -0.533 -0.134 0.057
A 323 ALA 0.289 -0.395 0.460 -0.395
A 324 ASN -0.081 -0.738 -0.166 0.004
A 325 GLY 0.142 -0.379 0.142 N/A
A 326 GLY 0.031 -0.156 0.031 N/A
A 327 SER -0.207 -0.648 -0.265 -0.090
A 328 VAL -0.073 -0.700 -0.235 0.144
A 329 ARG 0.165 -0.683 0.246 0.118
A 330 ARG -0.040 -0.534 0.045 -0.089
A 331 SER -0.211 -0.529 -0.261 -0.113
A 332 THR -0.090 -0.439 -0.266 0.146
A 333 ASN 0.217 -0.245 0.176 0.258
A 334 GLY -0.274 -0.676 -0.274 N/A
A 335 GLY -0.433 -0.627 -0.433 N/A
A 336 VAL 0.116 -0.458 0.110 0.124
A 337 ALA -0.256 -0.716 -0.347 0.107
A 338 ALA -0.240 -0.629 -0.399 0.396
A 339 ALA -0.284 -0.905 -0.334 -0.082
A 340 VAL 0.063 -0.409 -0.118 0.305
A 341 MET -0.098 -0.734 -0.012 -0.184
A 342 ASN -0.214 -0.547 -0.205 -0.224
A 343 VAL -0.174 -0.619 -0.101 -0.271
A 344 GLY 0.059 -0.502 0.059 N/A
A 345 LYS 0.331 0.228 0.299 0.356
A 346 PRO 0.145 -0.648 0.177 0.102
A 347 PRO 0.209 -0.369 0.385 -0.026
A 348 ALA 0.050 -0.411 0.040 0.091
A 349 ALA 0.246 -0.059 0.230 0.311
A 350 PRO 0.206 -0.155 0.149 0.282
A 351 GLY 0.138 -0.363 0.138 N/A
A 352 ALA 0.336 -0.359 0.295 0.502
A 353 PRO 0.401 -0.175 0.283 0.559
A 354 LEU 0.478 -0.059 0.534 0.422
A 355 ILE 0.480 0.142 0.355 0.606
A 356 PRO 0.342 0.091 0.446 0.204
A 357 ILE 0.209 -0.154 0.287 0.131
A 358 LEU 0.167 -0.307 0.294 0.041
A 359 GLU 0.378 -0.111 0.529 0.257
A 360 ASP 0.469 0.213 0.547 0.390
A 361 PHE 0.292 -0.342 -0.140 0.539
A 362 PRO 0.594 0.278 0.634 0.541
A 363 ARG 0.356 -0.075 0.384 0.340
A 364 ASP -0.143 -0.816 0.014 -0.299
A 365 PRO 0.558 0.480 0.598 0.504
A 366 PRO 0.325 -0.318 0.374 0.260
A 367 ARG -0.112 -0.636 -0.006 -0.173
A 368 PRO 0.220 -0.195 0.249 0.181
A 369 VAL 0.038 -0.590 0.485 -0.557
A 370 PRO -0.162 -0.822 -0.266 -0.023
A 371 GLU -0.230 -0.600 -0.228 -0.232
A 372 ARG -0.196 -0.713 -0.231 -0.176
A 373 GLY 0.029 -0.663 0.029 N/A
A 374 THR 0.079 -0.471 -0.048 0.249
A 375 VAL 0.109 -0.429 -0.019 0.280
A 376 PRO -0.041 -0.590 -0.373 0.402
A 377 VAL 0.180 -0.142 0.018 0.395
A 378 GLU 0.212 -0.442 0.338 0.112
A 379 GLY -0.015 -0.544 -0.015 N/A
A 380 GLY -0.221 -0.386 -0.221 N/A
A 381 ALA -0.149 -0.646 -0.148 -0.153
A 382 ASP 0.043 -0.572 -0.209 0.295
A 383 PHE -0.073 -0.527 -0.300 0.057
A 384 PRO -0.287 -0.719 -0.551 0.064
A 385 GLN 0.379 -0.280 0.427 0.341
A 386 GLN -0.193 -0.610 -0.325 -0.088
A 387 PHE -0.160 -0.641 -0.173 -0.152
A 388 SER 0.382 -0.261 0.261 0.623
A 389 GLU 0.116 -0.388 0.245 0.012
A 390 PHE 0.196 -0.307 0.316 0.128
A 391 SER 0.627 0.444 0.625 0.630
A 392 PHE 0.053 -0.711 0.461 -0.180
A 393 LYS 0.089 -0.386 0.475 -0.219
A 394 THR 0.250 -0.496 0.084 0.470
A 395 LEU 0.320 -0.401 0.599 0.041
A 396 LEU 0.322 -0.074 0.136 0.508
A 397 THR -0.096 -0.559 -0.098 -0.094
A 398 LYS 0.005 -0.643 -0.096 0.085
A 399 THR 0.072 -0.767 -0.020 0.196
A 400 GLU 0.118 -0.344 0.163 0.082
A 401 VAL -0.000 -0.433 0.197 -0.263
A 402 ILE 0.137 -0.711 0.324 -0.049
A 403 MET -0.114 -0.357 -0.060 -0.169
A 404 ALA -0.135 -0.745 0.018 -0.745
A 405 ILE 0.033 -0.542 0.043 0.024
A 406 THR -0.394 -0.677 -0.369 -0.428
A 407 LYS -0.238 -0.533 -0.294 -0.193
A 408 ILE -0.172 -0.812 0.114 -0.457
A 409 LYS 0.186 -0.607 0.270 0.119
A 410 VAL -0.046 -0.552 0.275 -0.474
A 411 GLU 0.323 0.084 0.333 0.315
A 412 CYS -0.365 -0.567 -0.315 -0.465
A 413 ALA 0.112 -0.574 0.283 -0.574
A 414 LYS -0.209 -0.562 -0.294 -0.141
A 415 VAL -0.055 -0.609 0.255 -0.469
A 416 THR 0.150 -0.426 0.084 0.237
A 417 LYS -0.119 -0.670 0.112 -0.304
A 418 MET 0.330 0.096 0.192 0.467
A 419 CYS -0.028 -0.301 0.107 -0.297
A 420 LEU 0.190 -0.518 -0.018 0.399
A 421 PHE 0.220 -0.439 -0.061 0.381
A 422 ASN 0.256 -0.175 0.058 0.454
A 423 THR 0.461 -0.063 0.644 0.216
A 424 HIS -0.172 -0.736 0.134 -0.376
A 425 TYR -0.094 -0.454 -0.263 -0.010
A 426 THR -0.274 -0.777 -0.381 -0.131
A 427 LYS -0.176 -0.652 -0.176 -0.176
A 428 SER -0.306 -0.650 -0.283 -0.350
A 429 ALA -0.352 -0.608 -0.368 -0.286
A 430 ARG -0.066 -0.335 -0.267 0.048
A 431 LEU -0.014 -0.515 -0.313 0.285
A 432 GLU 0.183 -0.068 0.168 0.195
A 433 GLU 0.002 -0.473 0.001 0.002
A 434 LEU 0.000 -0.716 -0.008 0.009
A 435 GLU 0.052 -0.605 -0.043 0.128
A 436 GLN -0.220 -0.766 -0.256 -0.192
A 437 THR 0.401 -0.399 0.262 0.586
A 438 GLN 0.214 -0.398 0.097 0.307
A 439 VAL 0.339 -0.118 0.386 0.277
A 440 ALA 0.081 -0.713 0.112 -0.042
A 441 ALA -0.027 -0.435 -0.068 0.138
A 442 LEU -0.283 -0.718 -0.086 -0.481
A 443 ASP 0.129 -0.265 -0.016 0.274
A 444 SER 0.035 -0.445 -0.101 0.305
A 445 ALA 0.141 -0.474 0.099 0.310
A 446 GLY -0.132 -0.638 -0.132 N/A
A 447 ASN 0.090 -0.619 0.273 -0.093
A 448 TYR 0.111 -0.309 0.096 0.118
A 449 LEU 0.075 -0.788 -0.028 0.178
A 450 LYS -0.125 -0.712 -0.494 0.171
A 451 ASP 0.121 -0.445 0.170 0.071
A 452 THR 0.178 -0.283 0.029 0.378
A 453 TRP -0.098 -0.742 -0.191 -0.061
A 454 CYS 0.316 -0.061 0.155 0.639
A 455 VAL -0.159 -0.751 -0.408 0.172
A 456 ALA 0.007 -0.443 -0.142 0.601
A 457 LEU 0.243 -0.089 0.516 -0.031
A 458 ARG 0.194 -0.291 0.317 0.124
A 459 ASN -0.049 -0.575 -0.454 0.356
A 460 ALA 0.419 -0.368 0.392 0.526
A 461 ILE -0.035 -0.642 -0.007 -0.064
A 462 ARG -0.034 -0.829 -0.103 0.006
A 463 ASN 0.032 -0.532 -0.309 0.373
A 464 SER -0.199 -0.444 -0.355 0.113
A 465 PHE 0.058 -0.343 0.250 -0.051
A 466 LYS -0.119 -0.675 -0.179 -0.071
A 467 ASP 0.047 -0.282 0.210 -0.116
A 468 VAL 0.067 -0.758 0.119 -0.003
A 469 GLY 0.365 -0.138 0.365 N/A
A 470 LYS 0.344 -0.386 0.177 0.478
A 471 GLY -0.026 -0.639 -0.026 N/A
A 472 TRP -0.083 -0.744 -0.191 -0.040
A 473 PHE 0.054 -0.319 0.528 -0.217
A 474 ASN -0.187 -0.705 0.187 -0.561
A 475 LEU 0.047 -0.394 0.059 0.035
A 476 GLY 0.192 -0.294 0.192 N/A
A 477 GLU -0.165 -0.761 -0.094 -0.222
A 478 ALA -0.004 -0.791 -0.148 0.570
A 479 SER 0.092 -0.651 -0.105 0.487
A 480 MET -0.208 -0.842 -0.226 -0.189
A 481 GLU -0.095 -0.577 0.031 -0.197
A 482 THR -0.135 -0.495 -0.139 -0.128
A 483 TYR -0.007 -0.504 0.107 -0.063
A 484 GLU 0.188 -0.256 0.231 0.153
A 485 PHE 0.217 -0.504 0.135 0.264
A 486 SER -0.282 -0.676 -0.302 -0.243
A 487 LYS 0.075 -0.739 0.294 -0.101
A 488 LEU 0.236 -0.310 0.285 0.188
A 489 ARG 0.384 -0.142 0.526 0.302
A 490 LYS 0.372 -0.286 0.565 0.218
A 491 PHE -0.056 -0.749 -0.527 0.213
A 492 LEU 0.072 -0.602 -0.294 0.439
A 493 THR 0.466 0.162 0.503 0.416
A 494 LEU 0.445 0.172 0.613 0.277
A 495 THR -0.125 -0.552 0.007 -0.300
A 496 ARG 0.250 -0.484 0.557 0.074
A 497 PHE 0.160 -0.456 0.221 0.125
A 498 VAL -0.224 -0.775 -0.281 -0.148
A 499 MET -0.204 -0.731 -0.295 -0.112
A 500 GLU 0.176 -0.329 0.272 0.100
A 501 ASP 0.229 -0.275 0.440 0.017
A 502 THR -0.257 -0.637 -0.231 -0.290
A 503 MET -0.050 -0.474 -0.300 0.200
A 504 ARG 0.261 -0.420 0.191 0.301
A 505 ALA 0.101 -0.414 0.167 -0.162
A 506 LEU 0.273 -0.157 0.127 0.419
A 507 VAL 0.200 -0.335 -0.121 0.629
A 508 GLU -0.112 -0.686 0.341 -0.474
A 509 ASP -0.127 -0.730 0.291 -0.546
A 510 SER 0.353 -0.196 0.273 0.513
A 511 LEU 0.421 -0.104 0.402 0.441
A 512 GLY -0.212 -0.548 -0.212 N/A
A 513 LYS 0.004 -0.651 -0.434 0.354
A 514 PHE -0.243 -0.753 -0.423 -0.141
A 515 THR -0.082 -0.594 -0.069 -0.099
A 516 GLY -0.128 -0.383 -0.128 N/A
A 517 PHE 0.216 -0.485 0.007 0.335
A 518 ILE -0.036 -0.416 -0.054 -0.018
A 519 GLN -0.378 -0.730 -0.465 -0.308
A 520 SER -0.359 -0.788 -0.242 -0.593
A 521 CYS 0.352 -0.078 0.358 0.342
A 522 CYS -0.418 -0.741 -0.414 -0.427
A 523 PRO -0.331 -0.736 -0.198 -0.509
A 524 GLY 0.002 -0.613 0.002 N/A
A 525 ARG 0.001 -0.665 -0.002 0.002
A 526 VAL -0.118 -0.482 -0.214 0.011
A 527 THR -0.070 -0.511 0.127 -0.333
A 528 VAL 0.128 -0.336 0.174 0.067
A 529 HIS 0.155 -0.292 0.336 0.034
A 530 SER -0.191 -0.751 0.075 -0.723
A 531 THR -0.344 -0.604 -0.176 -0.568
A 532 SER 0.261 -0.166 0.323 0.138
A 533 SER 0.247 -0.295 0.191 0.358
A 534 VAL -0.343 -0.546 -0.373 -0.304
A 535 GLU 0.214 -0.689 -0.158 0.511
A 536 ILE -0.154 -0.449 -0.044 -0.265
A 537 LEU 0.177 -0.415 0.297 0.056
A 538 ASP 0.031 -0.498 -0.144 0.206
A 539 ALA -0.251 -0.702 -0.138 -0.702
A 540 SER -0.148 -0.602 -0.060 -0.324
A 541 SER 0.229 -0.137 0.327 0.032
A 542 PRO 0.243 -0.680 0.442 -0.022
A 543 VAL -0.067 -0.461 0.005 -0.164
A 544 PRO 0.028 -0.761 -0.065 0.153
A 545 VAL -0.085 -0.403 -0.130 -0.025
A 546 PRO 0.180 -0.342 0.080 0.312
A 547 ALA 0.103 -0.251 -0.030 0.636
A 548 ILE 0.191 -0.478 -0.093 0.476
A 549 GLY -0.575 -0.738 -0.575 N/A
A 550 PRO -0.016 -0.672 -0.255 0.304
A 551 GLY 0.210 -0.051 0.210 N/A
A 552 ARG -0.187 -0.680 -0.199 -0.180
A 553 LYS -0.272 -0.713 -0.260 -0.281
A 554 PRO 0.107 -0.286 0.208 -0.027
A 555 PRO -0.426 -0.782 -0.379 -0.490
A 556 LEU -0.287 -0.658 -0.065 -0.509
A 557 LEU 0.046 -0.591 0.359 -0.267
A 558 VAL -0.151 -0.508 -0.043 -0.296
A 559 MET -0.181 -0.745 -0.322 -0.039
A 560 ASP 0.085 -0.208 -0.007 0.177
A 561 LEU 0.115 -0.276 0.246 -0.016
A 562 ALA -0.100 -0.435 -0.042 -0.332
A 563 THR 0.182 -0.267 0.295 0.031
A 564 ASN 0.189 -0.407 0.245 0.133
A 565 LYS 0.320 -0.205 0.259 0.369
A 566 GLU 0.234 -0.559 0.279 0.198
A 567 ALA -0.299 -0.591 -0.362 -0.046
A 568 THR -0.107 -0.638 -0.058 -0.172
A 569 ARG -0.096 -0.612 -0.020 -0.139
A 570 PHE -0.080 -0.726 0.383 -0.344
A 571 VAL 0.150 -0.505 0.329 -0.090
A 572 TYR 0.114 -0.497 -0.176 0.259
A 573 SER 0.091 -0.308 0.207 -0.140
A 574 THR -0.090 -0.743 -0.505 0.463
A 575 GLN -0.228 -0.788 -0.324 -0.151
A 576 PRO 0.163 -0.424 -0.020 0.407
A 577 GLU 0.155 -0.201 -0.028 0.301
A 578 SER -0.030 -0.344 -0.004 -0.082
A 579 ILE -0.039 -0.664 0.122 -0.200
A 580 VAL -0.013 -0.304 -0.227 0.273
A 581 THR -0.098 -0.743 -0.199 0.037
A 582 LYS -0.096 -0.753 0.040 -0.204
A 583 ILE 0.148 -0.190 -0.129 0.424
A 584 MET 0.088 -0.678 0.315 -0.139
A 585 ALA 0.283 -0.214 0.262 0.367
A 586 LEU -0.009 -0.654 0.237 -0.255
A 587 PHE -0.134 -0.396 -0.203 -0.094
A 588 ASP 0.137 -0.388 0.214 0.060
A 589 ALA -0.133 -0.828 -0.258 0.367
A 590 ALA -0.156 -0.530 -0.373 0.714
A 591 ILE 0.324 -0.059 0.415 0.233
A 592 GLY -0.500 -0.770 -0.500 N/A
A 593 ARG 0.084 -0.553 0.191 0.023
A 594 THR -0.175 -0.297 -0.134 -0.229
A 595 GLN 0.330 -0.238 0.278 0.373
A 596 GLY -0.156 -0.364 -0.156 N/A
A 597 LEU 0.297 -0.101 0.510 0.084
A 598 HIS 0.283 -0.325 0.320 0.259
A 599 THR 0.091 -0.646 -0.214 0.497
A 600 LEU 0.210 -0.227 0.144 0.276
A 601 GLU 0.014 -0.784 -0.089 0.097
A 602 PRO -0.049 -0.475 -0.220 0.179
A 603 ALA 0.341 0.024 0.401 0.102
A 604 ILE -0.096 -0.259 0.012 -0.204
A 605 MET -0.121 -0.788 -0.068 -0.173
A 606 GLU -0.047 -0.639 -0.148 0.034
A 607 ASN 0.066 -0.263 0.178 -0.046
A 608 LEU -0.049 -0.498 0.012 -0.110
A 609 PHE -0.005 -0.454 0.188 -0.116
A 610 TRP -0.204 -0.671 0.049 -0.305
A 611 ALA 0.131 -0.156 0.202 -0.156
A 612 THR 0.351 -0.469 0.226 0.518
A 613 ALA 0.118 -0.427 0.109 0.154
A 614 PRO 0.034 -0.777 -0.232 0.388
A 615 VAL 0.049 -0.241 0.078 0.011
A 616 LEU 0.310 -0.195 0.569 0.051
A 617 SER 0.103 -0.317 0.151 0.008
A 618 THR -0.176 -0.806 0.159 -0.624
A 619 VAL 0.138 -0.379 0.130 0.149
A 620 HIS -0.055 -0.582 -0.004 -0.088
A 621 GLN 0.083 -0.637 0.479 -0.233
A 622 GLN 0.172 -0.507 0.063 0.258
A 623 GLU -0.193 -0.721 -0.039 -0.316
A 624 GLU 0.168 -0.375 0.221 0.126
A 625 ILE 0.041 -0.595 0.104 -0.023
A 626 VAL 0.269 -0.057 0.360 0.148
A 627 VAL -0.088 -0.654 -0.017 -0.182
A 628 ARG 0.226 -0.722 0.457 0.094
A 629 HIS 0.073 -0.660 0.008 0.117
A 630 ARG 0.008 -0.477 -0.202 0.128
A 631 GLU -0.207 -0.586 -0.025 -0.353
A 632 LEU 0.032 -0.769 -0.130 0.194
A 633 LEU -0.029 -0.507 0.288 -0.347
A 634 ARG 0.151 -0.622 0.426 -0.006
A 635 ALA -0.026 -0.204 -0.054 0.088
A 636 ALA -0.060 -0.458 -0.026 -0.195
A 637 LEU 0.186 -0.199 0.016 0.356
A 638 SER 0.071 -0.273 -0.065 0.342
A 639 ALA -0.062 -0.539 0.057 -0.539
A 640 ALA -0.073 -0.467 -0.215 0.493
A 641 LEU -0.247 -0.485 -0.232 -0.262
A 642 VAL -0.126 -0.672 -0.123 -0.131
A 643 PRO 0.253 -0.367 0.531 -0.117
A 644 LEU 0.072 -0.413 0.040 0.103
A 645 GLU -0.076 -0.735 0.236 -0.325
A 646 GLU 0.089 -0.692 0.080 0.097
A 647 TYR 0.374 -0.295 0.339 0.391
A 648 MET 0.113 -0.613 0.477 -0.250
A 649 ALA -0.007 -0.537 0.017 -0.104
A 650 LYS 0.102 -0.331 0.345 -0.093
A 651 PHE -0.043 -0.563 -0.056 -0.035
A 652 GLU 0.174 -0.280 0.119 0.219
A 653 LYS 0.057 -0.750 -0.111 0.192
A 654 TYR -0.226 -0.462 -0.202 -0.238
A 655 VAL -0.179 -0.858 -0.170 -0.191
A 656 PRO -0.300 -0.507 -0.202 -0.432
A 657 LEU -0.381 -0.787 -0.245 -0.516
A 658 LEU 0.024 -0.469 0.006 0.041
A 659 GLN 0.237 -0.274 0.248 0.228
A 660 LEU -0.061 -0.645 -0.125 0.002
A 661 ASN 0.081 -0.221 0.081 0.081
A 662 VAL 0.090 -0.533 -0.060 0.291
A 663 GLU -0.229 -0.675 -0.251 -0.211
A 664 SER 0.068 -0.301 -0.090 0.385
A 665 TYR 0.212 -0.304 0.436 0.101
A 666 VAL 0.144 -0.378 0.071 0.242
A 667 ALA 0.131 -0.312 0.242 -0.312
A 668 ALA -0.175 -0.718 -0.277 0.232
A 669 LEU 0.217 -0.189 0.248 0.187
A 670 GLU 0.036 -0.500 -0.147 0.183
A 671 ALA -0.047 -0.250 0.004 -0.250
A 672 LYS 0.211 -0.426 -0.038 0.411
A 673 GLY -0.076 -0.710 -0.076 N/A
A 674 GLU 0.204 -0.220 0.369 0.072
A 675 GLU 0.259 -0.234 0.156 0.342
A 676 LEU -0.039 -0.431 -0.037 -0.040
A 677 SER 0.046 -0.239 -0.054 0.246
A 678 LEU 0.159 -0.355 0.299 0.019
A 679 THR 0.284 -0.428 0.517 -0.026
A 680 GLU 0.253 -0.308 0.195 0.299
A 681 VAL 0.365 0.116 0.387 0.336
A 682 ARG -0.164 -0.660 0.410 -0.492
A 683 ALA 0.460 -0.080 0.595 -0.080
A 684 GLU 0.199 -0.294 0.365 0.067
A 685 ILE 0.135 -0.196 0.078 0.192
A 686 LYS -0.028 -0.352 -0.110 0.037
A 687 ARG -0.018 -0.622 0.268 -0.181
A 688 ALA -0.074 -0.441 0.018 -0.441
A 689 SER -0.414 -0.647 -0.342 -0.560
A 690 ALA 0.115 -0.344 0.112 0.127
A 691 ASP 0.097 -0.390 0.310 -0.115
A 692 LEU -0.148 -0.563 -0.055 -0.240
A 693 GLU 0.103 -0.316 0.011 0.177
A 694 SER -0.181 -0.437 -0.170 -0.202
A 695 LEU -0.214 -0.800 -0.485 0.058
A 696 MET -0.154 -0.347 -0.018 -0.291
A 697 GLU -0.303 -0.753 -0.183 -0.399
A 698 SER -0.307 -0.527 -0.266 -0.390
A 699 VAL -0.323 -0.737 -0.317 -0.331
A 700 PRO -0.376 -0.632 -0.336 -0.430
A 701 ILE -0.106 -0.595 0.003 -0.216
A 702 GLY -0.259 -0.373 -0.259 N/A
A 703 ILE -0.263 -0.788 -0.462 -0.063
A 704 SER 0.080 -0.541 -0.069 0.379
A 705 LEU -0.290 -0.497 -0.236 -0.343
A 706 GLY -0.162 -0.597 -0.162 N/A
A 707 LEU -0.289 -0.458 -0.326 -0.252
A 708 VAL 0.013 -0.796 -0.426 0.599
A 709 GLN -0.203 -0.634 -0.198 -0.208
A 710 ILE -0.214 -0.815 -0.217 -0.210
A 711 ASN 0.146 -0.218 0.108 0.183
A 712 LEU -0.419 -0.797 -0.298 -0.539
A 713 VAL -0.117 -0.615 -0.067 -0.184
A 714 LYS -0.093 -0.646 -0.289 0.064
A 715 THR 0.071 -0.348 0.140 -0.022
A 716 ARG -0.015 -0.392 0.037 -0.045
A 717 GLU -0.106 -0.581 -0.241 0.001
A 718 LEU 0.172 -0.462 0.109 0.235
A 719 LEU -0.093 -0.467 -0.111 -0.075
A 720 VAL 0.318 -0.453 0.259 0.396
A 721 LYS -0.048 -0.408 0.075 -0.147
A 722 LYS 0.168 -0.476 0.489 -0.088
A 723 GLN 0.270 -0.362 0.500 0.085
A 724 GLU 0.174 -0.205 0.208 0.147
A 725 LYS 0.063 -0.650 -0.215 0.285
A 726 LEU 0.299 -0.283 0.114 0.483
A 727 VAL -0.221 -0.579 -0.259 -0.170
A 728 ALA 0.304 -0.046 0.281 0.397
A 729 LEU 0.056 -0.536 0.183 -0.072
A 730 LEU 0.053 -0.711 0.132 -0.026
A 731 LYS 0.214 -0.188 -0.051 0.427
A 732 ALA 0.284 -0.273 0.307 0.191
A 733 LEU 0.011 -0.618 0.367 -0.346
A 734 ALA 0.161 -0.350 0.235 -0.134
A 735 ALA 0.312 -0.005 0.320 0.282
A 736 ARG 0.027 -0.614 -0.004 0.045
A 737 VAL 0.159 -0.585 0.175 0.138
A 738 PRO -0.160 -0.651 -0.290 0.013
A 739 ARG 0.005 -0.638 -0.175 0.107
A 740 ARG 0.121 -0.616 0.130 0.116
A 741 ALA -0.409 -0.694 -0.535 0.093
A 742 MET 0.249 -0.452 0.306 0.191
A 743 ALA -0.170 -0.583 -0.182 -0.119
A 744 SER 0.104 -0.526 0.013 0.284
A 745 VAL 0.266 -0.024 0.264 0.268
A 746 SER 0.201 -0.528 0.187 0.228
A 747 THR 0.086 -0.187 0.218 -0.091
A 748 LYS 0.295 -0.359 0.315 0.278
A 749 PHE 0.056 -0.521 0.083 0.041
A 750 ALA -0.137 -0.475 -0.287 0.463
A 751 GLU 0.154 -0.494 0.190 0.125
A 752 ILE 0.166 -0.413 0.104 0.229
A 753 ASP 0.124 -0.631 0.034 0.214
A 754 ARG -0.208 -0.763 -0.193 -0.217
A 755 ALA -0.028 -0.664 -0.150 0.460
A 756 LEU 0.052 -0.432 -0.027 0.131
A 757 LYS 0.217 -0.645 0.114 0.300
A 758 ALA 0.031 -0.231 0.080 -0.163
A 759 LYS -0.104 -0.609 -0.007 -0.181
A 760 ALA -0.114 -0.481 -0.063 -0.322
A 761 ASN 0.060 -0.693 0.328 -0.207
A 762 ASN 0.001 -0.319 0.061 -0.059
A 763 LEU -0.018 -0.787 -0.320 0.284
A 764 GLU 0.176 -0.500 0.193 0.162
A 765 ASP -0.206 -0.622 -0.241 -0.170
A 766 VAL 0.146 -0.524 0.102 0.205
A 767 ASP 0.112 -0.585 -0.065 0.289
A 768 GLU -0.110 -0.695 0.162 -0.327
A 769 GLN 0.003 -0.744 -0.351 0.287
A 770 ARG -0.274 -0.765 -0.376 -0.215
A 771 HIS -0.089 -0.634 -0.097 -0.084
A 772 TYR 0.106 -0.757 -0.056 0.187
A 773 ILE 0.169 -0.647 0.161 0.178
A 774 GLU -0.081 -0.558 -0.241 0.048
A 775 SER 0.149 -0.169 0.258 -0.067
A 776 LEU -0.211 -0.588 -0.267 -0.154
A 777 PRO 0.063 -0.396 0.047 0.085
A 778 ASN -0.079 -0.645 -0.256 0.098
A 779 LYS -0.029 -0.541 -0.052 -0.010
A 780 VAL -0.099 -0.582 -0.073 -0.133
A 781 TYR 0.015 -0.577 -0.029 0.037
A 782 GLU -0.092 -0.846 0.197 -0.324
A 783 LEU 0.182 -0.203 0.274 0.090
A 784 MET -0.030 -0.691 -0.396 0.336
A 785 ALA -0.045 -0.384 0.012 -0.269
A 786 ASP 0.019 -0.568 -0.204 0.243
A 787 VAL 0.047 -0.410 -0.186 0.358
A 788 GLU -0.123 -0.611 -0.050 -0.182
A 789 ALA -0.275 -0.640 -0.253 -0.361
A 790 GLN 0.149 -0.521 0.093 0.194
A 791 ARG 0.020 -0.508 -0.046 0.057
A 792 GLY 0.388 0.201 0.388 N/A
A 793 TRP 0.056 -0.482 0.214 -0.007
A 794 TYR 0.017 -0.763 0.403 -0.177
A 795 GLU 0.305 -0.149 0.190 0.397
A 796 LEU 0.088 -0.218 0.195 -0.020
A 797 LEU 0.332 -0.251 0.431 0.232
A 798 GLU -0.107 -0.676 -0.383 0.114
A 799 GLY -0.603 -0.652 -0.603 N/A
A 800 MET 0.063 -0.339 -0.036 0.161
A 801 ARG 0.252 -0.254 0.084 0.349
A 802 TYR -0.118 -0.486 0.023 -0.189
A 803 LEU 0.049 -0.585 -0.062 0.160
A 804 LEU 0.073 -0.323 0.260 -0.115
A 805 PRO -0.375 -0.784 -0.233 -0.564
A 806 GLU -0.174 -0.509 -0.367 -0.020
A 807 GLU 0.267 -0.033 0.366 0.188
A 808 ASP 0.021 -0.687 -0.168 0.210
A 809 LEU -0.125 -0.518 0.176 -0.427
A 810 LYS 0.229 -0.248 0.235 0.224
A 811 GLU -0.364 -0.722 -0.371 -0.358
A 812 LYS 0.270 -0.510 0.226 0.306
A 813 PHE -0.080 -0.413 0.162 -0.218
A 814 ALA -0.086 -0.680 -0.212 0.418
A 815 GLY -0.079 -0.328 -0.079 N/A
A 816 GLU -0.154 -0.514 -0.306 -0.032
A 817 SER 0.372 0.188 0.285 0.545
A 818 TRP 0.039 -0.733 0.386 -0.100
A 819 GLY -0.329 -0.826 -0.329 N/A
A 820 MET 0.187 -0.563 0.004 0.369
A 821 ARG 0.236 -0.440 0.182 0.267
A 822 LEU 0.182 -0.539 0.456 -0.093
A 823 THR -0.053 -0.773 0.095 -0.250
A 824 ARG 0.010 -0.533 0.308 -0.161
A 825 GLN 0.106 -0.618 -0.003 0.193
A 826 ALA 0.343 0.032 0.338 0.363
A 827 GLU 0.132 -0.676 0.366 -0.055
A 828 LYS 0.124 -0.400 0.017 0.209
A 829 GLN -0.113 -0.579 -0.445 0.152
A 830 LEU 0.015 -0.307 0.125 -0.096
A 831 GLU -0.080 -0.594 -0.179 -0.001
A 832 VAL -0.098 -0.486 0.118 -0.385
A 833 LEU 0.169 -0.324 0.302 0.036
A 834 ALA -0.251 -0.402 -0.309 -0.019
A 835 GLY 0.136 0.066 0.136 N/A
A 836 ASP -0.123 -0.808 -0.402 0.157
A 837 GLU -0.200 -0.488 -0.133 -0.254
A 838 ALA 0.125 -0.361 -0.024 0.721
A 839 ARG 0.323 -0.400 0.405 0.276
A 840 PHE -0.217 -0.718 -0.304 -0.167
A 841 LYS 0.053 -0.362 0.162 -0.035
A 842 GLY 0.047 -0.656 0.047 N/A
A 843 GLU 0.266 -0.619 0.282 0.253
A 844 MET -0.118 -0.714 0.025 -0.260
A 845 ILE 0.023 -0.527 0.123 -0.077
A 846 THR -0.184 -0.679 -0.182 -0.187
A 847 GLU 0.022 -0.402 -0.020 0.056
A 848 GLN 0.151 -0.547 0.521 -0.144
A 849 ASP -0.352 -0.875 -0.367 -0.338
A 850 MET -0.206 -0.689 -0.516 0.105
A 851 PHE 0.208 -0.602 0.191 0.218
A 852 ARG -0.054 -0.610 -0.013 -0.077
A 853 ASP -0.055 -0.616 0.002 -0.111
A 854 THR -0.069 -0.706 -0.097 -0.032
A 855 ILE -0.088 -0.743 -0.139 -0.038
A 856 GLY 0.197 -0.042 0.197 N/A
A 857 ASP -0.104 -0.732 0.045 -0.253
A 858 LEU -0.090 -0.569 -0.177 -0.002
A 859 GLN -0.397 -0.713 -0.381 -0.411
A 860 VAL 0.097 -0.709 0.064 0.141
A 861 LEU 0.081 -0.571 0.368 -0.207
A 862 VAL 0.093 -0.471 0.313 -0.201
A 863 SER 0.266 -0.369 0.098 0.602
A 864 ASN 0.005 -0.346 -0.033 0.043
A 865 PHE 0.061 -0.852 0.090 0.045
A 866 GLY -0.003 -0.060 -0.003 N/A
A 867 LEU 0.155 -0.581 0.055 0.255
A 868 TYR -0.095 -0.778 -0.054 -0.115
A 869 THR 0.049 -0.503 0.232 -0.194
A 870 ASP 0.049 -0.772 -0.056 0.154
A 871 LEU -0.157 -0.732 -0.231 -0.084
A 872 GLY 0.037 -0.695 0.037 N/A
A 873 LYS 0.099 -0.594 0.140 0.067
A 874 MET "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.
> transparency #1 60
> qscore #4 toVolume #1 useGui false pointsPerShell 8 shellRadiusStep 0.100
> maxShellRadius 2.00 referenceGaussianSigma 0.60 logDetails true assignAttr
> false
WARNING: the following residues in #4 have atoms outside the bounds of volume
#1 and will be excluded from the Q-score calculation:
#4/A:874,942,946,958,962,965-966,969,972-973,976,979,982-999
Chain Number Name Qavg Qworst Qbb Qsc
-------------------------------------------------------
A 1 MET 0.031 -0.737 -0.416 0.478
A 2 PRO -0.415 -0.741 -0.289 -0.583
A 3 GLY 0.103 -0.065 0.103 N/A
A 4 VAL 0.057 -0.326 -0.088 0.251
A 5 ALA 0.134 -0.499 0.109 0.233
A 6 VAL -0.132 -0.578 -0.317 0.115
A 7 LEU 0.365 -0.051 0.295 0.436
A 8 GLY 0.293 -0.292 0.293 N/A
A 9 THR 0.054 -0.486 -0.062 0.208
A 10 LYS -0.029 -0.531 -0.177 0.089
A 11 GLY -0.122 -0.598 -0.122 N/A
A 12 VAL -0.161 -0.486 -0.042 -0.319
A 13 VAL -0.055 -0.588 0.006 -0.136
A 14 PRO -0.344 -0.849 -0.336 -0.355
A 15 LYS -0.204 -0.684 -0.310 -0.120
A 16 PRO -0.114 -0.758 -0.273 0.099
A 17 LYS 0.242 -0.457 -0.169 0.570
A 18 ALA 0.133 -0.204 0.218 -0.204
A 19 ARG 0.025 -0.654 -0.016 0.048
A 20 PHE 0.205 -0.315 0.098 0.267
A 21 GLY 0.468 0.320 0.468 N/A
A 22 ALA 0.236 -0.513 0.286 0.038
A 23 ARG -0.103 -0.805 0.226 -0.292
A 24 PRO -0.109 -0.697 -0.143 -0.063
A 25 GLN 0.118 -0.784 -0.358 0.499
A 26 PRO -0.199 -0.732 -0.308 -0.053
A 27 VAL -0.080 -0.525 -0.063 -0.102
A 28 ALA -0.173 -0.452 -0.267 0.202
A 29 GLN 0.074 -0.565 0.106 0.049
A 30 ASP -0.142 -0.810 0.130 -0.415
A 31 ALA 0.107 -0.059 0.090 0.172
A 32 THR 0.010 -0.644 0.330 -0.417
A 33 GLY 0.063 -0.663 0.063 N/A
A 34 THR -0.353 -0.679 -0.466 -0.202
A 35 SER 0.130 -0.546 -0.050 0.489
A 36 ALA -0.451 -0.750 -0.493 -0.281
A 37 GLU 0.154 -0.547 0.171 0.140
A 38 ALA -0.014 -0.672 -0.185 0.666
A 39 ALA 0.271 -0.285 0.218 0.481
A 40 ALA -0.224 -0.725 -0.141 -0.556
A 41 PRO 0.151 -0.518 -0.003 0.357
A 42 ALA 0.179 -0.128 0.255 -0.128
A 43 VAL 0.009 -0.315 -0.051 0.089
A 44 GLN 0.270 -0.658 0.133 0.380
A 45 ASP -0.059 -0.687 -0.117 -0.002
A 46 GLU 0.173 -0.462 -0.101 0.393
A 47 PRO 0.351 -0.213 0.264 0.467
A 48 THR 0.182 -0.600 -0.060 0.505
A 49 GLN -0.148 -0.649 -0.032 -0.241
A 50 GLU 0.105 -0.570 -0.202 0.350
A 51 GLY 0.321 -0.085 0.321 N/A
A 52 SER 0.081 -0.379 0.023 0.196
A 53 GLN -0.012 -0.703 -0.165 0.111
A 54 ALA -0.163 -0.706 -0.028 -0.706
A 55 SER 0.133 -0.114 0.188 0.022
A 56 VAL 0.020 -0.604 -0.064 0.131
A 57 PHE 0.088 -0.468 -0.005 0.141
A 58 ASP -0.066 -0.797 -0.059 -0.073
A 59 GLU -0.023 -0.586 -0.003 -0.038
A 60 VAL -0.145 -0.754 -0.312 0.079
A 61 GLU -0.069 -0.617 -0.093 -0.050
A 62 SER -0.315 -0.708 -0.254 -0.437
A 63 ASP 0.012 -0.330 0.034 -0.011
A 64 GLU 0.092 -0.389 0.386 -0.143
A 65 VAL 0.192 -0.528 0.234 0.136
A 66 THR 0.296 -0.247 0.215 0.404
A 67 TYR 0.100 -0.558 0.486 -0.093
A 68 SER -0.455 -0.784 -0.402 -0.561
A 69 HIS 0.332 -0.245 0.049 0.520
A 70 LEU 0.261 -0.225 0.451 0.071
A 71 LEU 0.220 -0.210 0.323 0.118
A 72 PRO -0.334 -0.570 -0.304 -0.373
A 73 LYS 0.047 -0.723 0.053 0.042
A 74 VAL 0.010 -0.701 0.444 -0.570
A 75 MET 0.227 -0.335 0.392 0.062
A 76 ALA -0.313 -0.455 -0.287 -0.416
A 77 PRO 0.391 0.281 0.395 0.385
A 78 PHE -0.105 -0.626 0.219 -0.290
A 79 GLU 0.288 -0.123 0.409 0.192
A 80 THR 0.282 -0.335 0.594 -0.134
A 81 ARG 0.103 -0.796 0.242 0.023
A 82 SER 0.123 -0.696 0.038 0.294
A 83 GLY -0.364 -0.658 -0.364 N/A
A 84 GLU -0.105 -0.784 -0.186 -0.040
A 85 THR 0.200 -0.305 -0.063 0.552
A 86 PRO -0.183 -0.613 -0.214 -0.142
A 87 ARG -0.044 -0.445 -0.128 0.005
A 88 LYS 0.045 -0.519 0.003 0.078
A 89 VAL 0.103 -0.522 -0.195 0.501
A 90 LEU 0.079 -0.202 0.187 -0.029
A 91 ILE -0.228 -0.522 -0.190 -0.265
A 92 GLN -0.057 -0.349 0.096 -0.179
A 93 ARG 0.035 -0.603 -0.024 0.069
A 94 ARG 0.322 -0.076 0.424 0.264
A 95 ARG 0.213 -0.653 0.558 0.016
A 96 ARG 0.417 -0.515 0.269 0.502
A 97 GLN 0.016 -0.629 0.155 -0.095
A 98 PHE 0.357 -0.330 0.322 0.376
A 99 ALA 0.404 -0.125 0.453 0.210
A 100 ALA 0.344 0.152 0.384 0.184
A 101 GLN 0.515 0.109 0.589 0.456
A 102 ASP 0.328 -0.355 0.145 0.511
A 103 VAL 0.367 0.092 0.294 0.465
A 104 ALA 0.191 -0.489 0.148 0.366
A 105 GLU 0.234 -0.366 0.362 0.132
A 106 LEU 0.268 -0.247 0.120 0.417
A 107 VAL 0.010 -0.254 0.028 -0.014
A 108 HIS 0.424 -0.195 0.430 0.420
A 109 GLY 0.371 -0.275 0.371 N/A
A 110 GLU 0.412 -0.103 0.482 0.357
A 111 GLY 0.117 -0.424 0.117 N/A
A 112 VAL 0.306 -0.430 0.592 -0.075
A 113 ALA 0.385 0.047 0.353 0.510
A 114 GLN 0.319 -0.267 0.185 0.426
A 115 PRO 0.399 -0.196 0.252 0.595
A 116 PRO -0.365 -0.640 -0.348 -0.387
A 117 GLN 0.102 -0.277 0.124 0.084
A 118 GLU 0.166 -0.474 0.163 0.168
A 119 LEU -0.118 -0.729 0.212 -0.449
A 120 PHE 0.135 -0.669 -0.024 0.226
A 121 PRO 0.311 0.008 0.308 0.314
A 122 LEU 0.425 0.149 0.553 0.297
A 123 GLU 0.435 0.040 0.410 0.456
A 124 VAL 0.302 -0.297 0.053 0.633
A 125 PHE 0.333 -0.386 -0.042 0.548
A 126 ASP 0.520 0.298 0.609 0.431
A 127 ASN 0.188 -0.502 0.210 0.167
A 128 THR -0.030 -0.619 -0.109 0.075
A 129 ASN 0.276 -0.486 0.454 0.098
A 130 PHE 0.302 -0.369 0.152 0.387
A 131 GLU 0.059 -0.618 -0.119 0.203
A 132 SER -0.106 -0.364 -0.136 -0.045
A 133 ARG 0.121 -0.442 -0.305 0.364
A 134 MET 0.166 -0.439 0.191 0.142
A 135 HIS 0.224 -0.397 0.029 0.354
A 136 PRO -0.117 -0.539 -0.101 -0.139
A 137 GLU 0.519 0.235 0.656 0.409
A 138 TRP 0.241 -0.319 0.006 0.336
A 139 VAL 0.281 -0.063 0.297 0.258
A 140 PRO 0.250 -0.605 0.296 0.189
A 141 ARG 0.202 -0.100 0.151 0.232
A 142 ARG 0.258 -0.423 0.437 0.156
A 143 PRO -0.146 -0.795 -0.466 0.281
A 144 GLY -0.140 -0.600 -0.140 N/A
A 145 VAL 0.175 -0.294 0.228 0.104
A 146 PRO -0.258 -0.738 -0.139 -0.418
A 147 LEU -0.003 -0.498 -0.188 0.182
A 148 THR 0.311 0.027 0.227 0.422
A 149 SER 0.127 -0.134 0.198 -0.016
A 150 GLY 0.369 0.242 0.369 N/A
A 151 ARG 0.191 -0.466 0.386 0.080
A 152 ALA 0.371 0.161 0.392 0.288
A 153 LEU 0.403 -0.039 0.649 0.157
A 154 VAL 0.258 -0.656 0.018 0.577
A 155 ALA 0.572 0.203 0.664 0.203
A 156 HIS 0.436 0.085 0.436 0.436
A 157 ASP 0.067 -0.343 0.138 -0.005
A 158 ASP -0.104 -0.551 0.082 -0.290
A 159 GLY 0.229 -0.415 0.229 N/A
A 160 THR 0.240 -0.083 0.102 0.424
A 161 GLY 0.069 -0.127 0.069 N/A
A 162 HIS -0.125 -0.729 -0.194 -0.079
A 163 SER 0.114 -0.309 0.103 0.137
A 164 VAL 0.326 0.011 0.478 0.124
A 165 VAL 0.298 -0.276 0.160 0.482
A 166 ASP 0.235 -0.459 0.381 0.089
A 167 TRP 0.282 -0.187 0.329 0.263
A 168 VAL 0.309 -0.212 0.155 0.516
A 169 PRO 0.169 -0.580 0.129 0.221
A 170 CYS 0.225 -0.171 0.251 0.172
A 171 THR 0.052 -0.553 0.448 -0.476
A 172 VAL -0.211 -0.553 -0.097 -0.362
A 173 VAL 0.062 -0.587 -0.179 0.383
A 174 ASP 0.017 -0.483 -0.075 0.109
A 175 PHE 0.093 -0.360 0.393 -0.078
A 176 ASP 0.490 0.252 0.490 0.490
A 177 GLU 0.448 -0.810 0.534 0.379
A 178 ALA 0.164 -0.342 0.065 0.559
A 179 THR 0.485 0.112 0.473 0.501
A 180 ASN 0.223 -0.206 0.391 0.055
A 181 SER 0.359 -0.122 0.458 0.162
A 182 TYR 0.532 0.189 0.529 0.534
A 183 GLY 0.284 0.116 0.284 N/A
A 184 VAL 0.443 -0.014 0.400 0.499
A 185 THR -0.011 -0.472 -0.100 0.107
A 186 LEU 0.252 -0.201 0.415 0.089
A 187 HIS 0.008 -0.538 -0.229 0.165
A 188 GLN -0.013 -0.594 0.331 -0.288
A 189 LEU 0.115 -0.438 0.138 0.092
A 190 ALA 0.252 -0.371 0.232 0.330
A 191 HIS 0.100 -0.369 0.493 -0.162
A 192 SER 0.081 -0.073 0.036 0.170
A 193 GLY 0.362 -0.121 0.362 N/A
A 194 ASN -0.011 -0.598 -0.230 0.208
A 195 GLY -0.140 -0.539 -0.140 N/A
A 196 SER -0.141 -0.585 -0.103 -0.219
A 197 ALA 0.067 -0.438 -0.043 0.510
A 198 GLU -0.191 -0.589 -0.077 -0.282
A 199 ALA 0.228 -0.559 0.425 -0.559
A 200 ASP -0.085 -0.759 -0.096 -0.074
A 201 ALA -0.049 -0.449 0.026 -0.351
A 202 GLU -0.159 -0.664 -0.126 -0.186
A 203 ASP -0.097 -0.798 -0.225 0.032
A 204 MET 0.197 -0.113 0.264 0.130
A 205 HIS 0.419 -0.223 0.406 0.427
A 206 VAL -0.063 -0.474 0.074 -0.246
A 207 MET 0.071 -0.466 -0.318 0.461
A 208 TRP 0.324 -0.274 -0.097 0.493
A 209 LEU 0.453 -0.090 0.338 0.569
A 210 PRO 0.471 0.090 0.241 0.777
A 211 ARG 0.385 -0.225 0.223 0.477
A 212 VAL 0.482 -0.015 0.355 0.651
A 213 LYS 0.621 0.331 0.732 0.531
A 214 VAL 0.220 -0.319 0.505 -0.159
A 215 CYS 0.306 -0.211 0.414 0.091
A 216 PHE 0.094 -0.273 -0.076 0.191
A 217 SER 0.192 -0.336 0.102 0.374
A 218 ALA 0.443 0.272 0.440 0.454
A 219 GLU 0.214 -0.412 0.496 -0.011
A 220 ASP -0.023 -0.574 -0.221 0.176
A 221 PRO 0.397 0.070 0.280 0.554
A 222 ALA 0.139 -0.684 0.133 0.165
A 223 GLN 0.425 -0.191 0.410 0.437
A 224 PHE 0.443 -0.585 0.086 0.647
A 225 ALA 0.357 -0.146 0.383 0.252
A 226 ARG 0.214 -0.496 0.387 0.116
A 227 ARG 0.026 -0.614 0.227 -0.090
A 228 HIS 0.583 0.071 0.433 0.684
A 229 ALA 0.419 0.040 0.366 0.630
A 230 GLU 0.543 -0.079 0.497 0.580
A 231 ALA 0.252 -0.143 0.266 0.195
A 232 HIS 0.641 0.494 0.649 0.636
A 233 ARG 0.244 -0.474 0.076 0.340
A 234 SER 0.511 -0.151 0.416 0.700
A 235 ARG 0.521 -0.180 0.391 0.595
A 236 ALA 0.480 0.031 0.470 0.519
A 237 ARG 0.610 0.055 0.436 0.710
A 238 ALA 0.251 -0.573 0.227 0.346
A 239 GLU 0.311 -0.275 0.237 0.370
A 240 SER 0.381 0.201 0.316 0.511
A 241 LEU 0.480 -0.021 0.573 0.387
A 242 LEU 0.305 0.076 0.453 0.157
A 243 ARG 0.038 -0.658 0.218 -0.064
A 244 TYR 0.310 -0.659 0.187 0.372
A 245 ASN 0.399 -0.548 0.214 0.584
A 246 LEU 0.388 -0.351 0.208 0.568
A 247 TYR 0.519 0.233 0.474 0.541
A 248 VAL 0.467 0.093 0.450 0.490
A 249 ASP 0.159 -0.232 0.382 -0.064
A 250 SER 0.207 -0.235 0.025 0.570
A 251 MET 0.330 -0.004 0.202 0.458
A 252 PRO -0.095 -0.502 -0.014 -0.202
A 253 THR -0.047 -0.506 -0.019 -0.085
A 254 ASP -0.360 -0.648 -0.298 -0.423
A 255 ASP -0.050 -0.642 0.175 -0.276
A 256 ILE 0.053 -0.847 0.065 0.041
A 257 PRO 0.020 -0.650 -0.010 0.060
A 258 PRO 0.293 -0.376 0.378 0.179
A 259 LEU 0.189 -0.272 0.078 0.301
A 260 THR 0.330 -0.038 0.356 0.295
A 261 ASN 0.165 -0.209 0.310 0.020
A 262 GLU 0.227 -0.175 0.508 0.002
A 263 GLN 0.326 -0.003 0.316 0.333
A 264 VAL 0.316 -0.161 0.384 0.225
A 265 ASN 0.289 -0.291 0.299 0.279
A 266 ARG -0.254 -0.685 0.010 -0.405
A 267 MET 0.149 -0.523 0.124 0.175
A 268 LEU 0.454 -0.154 0.473 0.435
A 269 SER 0.511 0.382 0.558 0.418
A 270 PHE -0.110 -0.611 0.197 -0.286
A 271 ALA 0.484 -0.182 0.425 0.721
A 272 LEU 0.340 -0.173 0.361 0.319
A 273 ASN 0.295 -0.501 0.122 0.467
A 274 SER 0.164 -0.639 0.451 -0.409
A 275 LYS -0.068 -0.746 0.084 -0.189
A 276 LYS -0.073 -0.765 -0.233 0.054
A 277 LEU 0.322 -0.187 0.412 0.231
A 278 LYS 0.440 -0.420 0.336 0.524
A 279 ASP -0.220 -0.670 -0.134 -0.305
A 280 LYS 0.254 -0.407 0.245 0.260
A 281 LEU 0.459 0.138 0.456 0.461
A 282 MET 0.285 -0.189 0.266 0.304
A 283 ASP 0.252 -0.169 -0.045 0.550
A 284 THR 0.078 -0.590 -0.374 0.681
A 285 SER 0.380 0.062 0.381 0.377
A 286 ALA 0.187 -0.496 0.096 0.551
A 287 LEU 0.395 -0.138 0.343 0.448
A 288 ILE 0.119 -0.524 0.498 -0.261
A 289 ALA 0.169 -0.665 0.126 0.338
A 290 GLU 0.249 -0.397 0.317 0.194
A 291 VAL 0.571 0.452 0.477 0.695
A 292 ASN 0.527 0.087 0.593 0.460
A 293 ILE 0.292 -0.086 0.232 0.353
A 294 GLU 0.403 -0.011 0.615 0.233
A 295 TYR 0.366 0.019 0.243 0.427
A 296 ALA 0.149 -0.746 0.135 0.202
A 297 ARG -0.042 -0.666 0.301 -0.238
A 298 THR 0.542 0.127 0.488 0.613
A 299 MET 0.430 -0.189 0.371 0.489
A 300 ASN 0.382 0.030 0.313 0.451
A 301 LYS 0.330 -0.307 0.443 0.240
A 302 VAL 0.428 0.066 0.570 0.239
A 303 VAL 0.233 -0.220 0.312 0.129
A 304 PHE 0.409 -0.013 0.271 0.488
A 305 ASP 0.474 0.061 0.325 0.623
A 306 THR 0.215 -0.326 0.307 0.093
A 307 ALA 0.555 0.068 0.677 0.068
A 308 LEU 0.469 0.083 0.412 0.527
A 309 THR 0.293 -0.214 0.422 0.122
A 310 ALA 0.402 -0.063 0.340 0.646
A 311 ALA 0.465 0.026 0.575 0.026
A 312 ARG 0.030 -0.726 0.260 -0.102
A 313 ALA 0.272 -0.516 0.469 -0.516
A 314 GLU 0.329 -0.133 0.500 0.191
A 315 ARG -0.035 -0.485 0.304 -0.229
A 316 GLU 0.075 -0.502 0.276 -0.086
A 317 ALA 0.246 -0.029 0.294 0.056
A 318 ASP 0.183 -0.326 0.135 0.231
A 319 ALA 0.407 -0.062 0.453 0.225
A 320 GLU -0.014 -0.282 -0.041 0.007
A 321 ALA 0.071 -0.371 0.021 0.269
A 322 ALA -0.096 -0.533 -0.134 0.057
A 323 ALA 0.289 -0.395 0.460 -0.395
A 324 ASN -0.081 -0.738 -0.166 0.004
A 325 GLY 0.142 -0.379 0.142 N/A
A 326 GLY 0.031 -0.156 0.031 N/A
A 327 SER -0.207 -0.648 -0.265 -0.090
A 328 VAL -0.073 -0.700 -0.235 0.144
A 329 ARG 0.165 -0.683 0.246 0.118
A 330 ARG -0.040 -0.534 0.045 -0.089
A 331 SER -0.211 -0.529 -0.261 -0.113
A 332 THR -0.090 -0.439 -0.266 0.146
A 333 ASN 0.217 -0.245 0.176 0.258
A 334 GLY -0.274 -0.676 -0.274 N/A
A 335 GLY -0.433 -0.627 -0.433 N/A
A 336 VAL 0.116 -0.458 0.110 0.124
A 337 ALA -0.256 -0.716 -0.347 0.107
A 338 ALA -0.240 -0.629 -0.399 0.396
A 339 ALA -0.284 -0.905 -0.334 -0.082
A 340 VAL 0.063 -0.409 -0.118 0.305
A 341 MET -0.098 -0.734 -0.012 -0.184
A 342 ASN -0.214 -0.547 -0.205 -0.224
A 343 VAL -0.174 -0.619 -0.101 -0.271
A 344 GLY 0.059 -0.502 0.059 N/A
A 345 LYS 0.331 0.228 0.299 0.356
A 346 PRO 0.145 -0.648 0.177 0.102
A 347 PRO 0.209 -0.369 0.385 -0.026
A 348 ALA 0.050 -0.411 0.040 0.091
A 349 ALA 0.246 -0.059 0.230 0.311
A 350 PRO 0.206 -0.155 0.149 0.282
A 351 GLY 0.138 -0.363 0.138 N/A
A 352 ALA 0.336 -0.359 0.295 0.502
A 353 PRO 0.401 -0.175 0.283 0.559
A 354 LEU 0.478 -0.059 0.534 0.422
A 355 ILE 0.480 0.142 0.355 0.606
A 356 PRO 0.342 0.091 0.446 0.204
A 357 ILE 0.209 -0.154 0.287 0.131
A 358 LEU 0.167 -0.307 0.294 0.041
A 359 GLU 0.378 -0.111 0.529 0.257
A 360 ASP 0.469 0.213 0.547 0.390
A 361 PHE 0.292 -0.342 -0.140 0.539
A 362 PRO 0.594 0.278 0.634 0.541
A 363 ARG 0.356 -0.075 0.384 0.340
A 364 ASP -0.143 -0.816 0.014 -0.299
A 365 PRO 0.558 0.480 0.598 0.504
A 366 PRO 0.325 -0.318 0.374 0.260
A 367 ARG -0.112 -0.636 -0.006 -0.173
A 368 PRO 0.220 -0.195 0.249 0.181
A 369 VAL 0.038 -0.590 0.485 -0.557
A 370 PRO -0.162 -0.822 -0.266 -0.023
A 371 GLU -0.230 -0.600 -0.228 -0.232
A 372 ARG -0.196 -0.713 -0.231 -0.176
A 373 GLY 0.029 -0.663 0.029 N/A
A 374 THR 0.079 -0.471 -0.048 0.249
A 375 VAL 0.109 -0.429 -0.019 0.280
A 376 PRO -0.041 -0.590 -0.373 0.402
A 377 VAL 0.180 -0.142 0.018 0.395
A 378 GLU 0.212 -0.442 0.338 0.112
A 379 GLY -0.015 -0.544 -0.015 N/A
A 380 GLY -0.221 -0.386 -0.221 N/A
A 381 ALA -0.149 -0.646 -0.148 -0.153
A 382 ASP 0.043 -0.572 -0.209 0.295
A 383 PHE -0.073 -0.527 -0.300 0.057
A 384 PRO -0.287 -0.719 -0.551 0.064
A 385 GLN 0.379 -0.280 0.427 0.341
A 386 GLN -0.193 -0.610 -0.325 -0.088
A 387 PHE -0.160 -0.641 -0.173 -0.152
A 388 SER 0.382 -0.261 0.261 0.623
A 389 GLU 0.116 -0.388 0.245 0.012
A 390 PHE 0.196 -0.307 0.316 0.128
A 391 SER 0.627 0.444 0.625 0.630
A 392 PHE 0.053 -0.711 0.461 -0.180
A 393 LYS 0.089 -0.386 0.475 -0.219
A 394 THR 0.250 -0.496 0.084 0.470
A 395 LEU 0.320 -0.401 0.599 0.041
A 396 LEU 0.322 -0.074 0.136 0.508
A 397 THR -0.096 -0.559 -0.098 -0.094
A 398 LYS 0.005 -0.643 -0.096 0.085
A 399 THR 0.072 -0.767 -0.020 0.196
A 400 GLU 0.118 -0.344 0.163 0.082
A 401 VAL -0.000 -0.433 0.197 -0.263
A 402 ILE 0.137 -0.711 0.324 -0.049
A 403 MET -0.114 -0.357 -0.060 -0.169
A 404 ALA -0.135 -0.745 0.018 -0.745
A 405 ILE 0.033 -0.542 0.043 0.024
A 406 THR -0.394 -0.677 -0.369 -0.428
A 407 LYS -0.238 -0.533 -0.294 -0.193
A 408 ILE -0.172 -0.812 0.114 -0.457
A 409 LYS 0.186 -0.607 0.270 0.119
A 410 VAL -0.046 -0.552 0.275 -0.474
A 411 GLU 0.323 0.084 0.333 0.315
A 412 CYS -0.365 -0.567 -0.315 -0.465
A 413 ALA 0.112 -0.574 0.283 -0.574
A 414 LYS -0.209 -0.562 -0.294 -0.141
A 415 VAL -0.055 -0.609 0.255 -0.469
A 416 THR 0.150 -0.426 0.084 0.237
A 417 LYS -0.119 -0.670 0.112 -0.304
A 418 MET 0.330 0.096 0.192 0.467
A 419 CYS -0.028 -0.301 0.107 -0.297
A 420 LEU 0.190 -0.518 -0.018 0.399
A 421 PHE 0.220 -0.439 -0.061 0.381
A 422 ASN 0.256 -0.175 0.058 0.454
A 423 THR 0.461 -0.063 0.644 0.216
A 424 HIS -0.172 -0.736 0.134 -0.376
A 425 TYR -0.094 -0.454 -0.263 -0.010
A 426 THR -0.274 -0.777 -0.381 -0.131
A 427 LYS -0.176 -0.652 -0.176 -0.176
A 428 SER -0.306 -0.650 -0.283 -0.350
A 429 ALA -0.352 -0.608 -0.368 -0.286
A 430 ARG -0.066 -0.335 -0.267 0.048
A 431 LEU -0.014 -0.515 -0.313 0.285
A 432 GLU 0.183 -0.068 0.168 0.195
A 433 GLU 0.002 -0.473 0.001 0.002
A 434 LEU 0.000 -0.716 -0.008 0.009
A 435 GLU 0.052 -0.605 -0.043 0.128
A 436 GLN -0.220 -0.766 -0.256 -0.192
A 437 THR 0.401 -0.399 0.262 0.586
A 438 GLN 0.214 -0.398 0.097 0.307
A 439 VAL 0.339 -0.118 0.386 0.277
A 440 ALA 0.081 -0.713 0.112 -0.042
A 441 ALA -0.027 -0.435 -0.068 0.138
A 442 LEU -0.283 -0.718 -0.086 -0.481
A 443 ASP 0.129 -0.265 -0.016 0.274
A 444 SER 0.035 -0.445 -0.101 0.305
A 445 ALA 0.141 -0.474 0.099 0.310
A 446 GLY -0.132 -0.638 -0.132 N/A
A 447 ASN 0.090 -0.619 0.273 -0.093
A 448 TYR 0.111 -0.309 0.096 0.118
A 449 LEU 0.075 -0.788 -0.028 0.178
A 450 LYS -0.125 -0.712 -0.494 0.171
A 451 ASP 0.121 -0.445 0.170 0.071
A 452 THR 0.178 -0.283 0.029 0.378
A 453 TRP -0.098 -0.742 -0.191 -0.061
A 454 CYS 0.316 -0.061 0.155 0.639
A 455 VAL -0.159 -0.751 -0.408 0.172
A 456 ALA 0.007 -0.443 -0.142 0.601
A 457 LEU 0.243 -0.089 0.516 -0.031
A 458 ARG 0.194 -0.291 0.317 0.124
A 459 ASN -0.049 -0.575 -0.454 0.356
A 460 ALA 0.419 -0.368 0.392 0.526
A 461 ILE -0.035 -0.642 -0.007 -0.064
A 462 ARG -0.034 -0.829 -0.103 0.006
A 463 ASN 0.032 -0.532 -0.309 0.373
A 464 SER -0.199 -0.444 -0.355 0.113
A 465 PHE 0.058 -0.343 0.250 -0.051
A 466 LYS -0.119 -0.675 -0.179 -0.071
A 467 ASP 0.047 -0.282 0.210 -0.116
A 468 VAL 0.067 -0.758 0.119 -0.003
A 469 GLY 0.365 -0.138 0.365 N/A
A 470 LYS 0.344 -0.386 0.177 0.478
A 471 GLY -0.026 -0.639 -0.026 N/A
A 472 TRP -0.083 -0.744 -0.191 -0.040
A 473 PHE 0.054 -0.319 0.528 -0.217
A 474 ASN -0.187 -0.705 0.187 -0.561
A 475 LEU 0.047 -0.394 0.059 0.035
A 476 GLY 0.192 -0.294 0.192 N/A
A 477 GLU -0.165 -0.761 -0.094 -0.222
A 478 ALA -0.004 -0.791 -0.148 0.570
A 479 SER 0.092 -0.651 -0.105 0.487
A 480 MET -0.208 -0.842 -0.226 -0.189
A 481 GLU -0.095 -0.577 0.031 -0.197
A 482 THR -0.135 -0.495 -0.139 -0.128
A 483 TYR -0.007 -0.504 0.107 -0.063
A 484 GLU 0.188 -0.256 0.231 0.153
A 485 PHE 0.217 -0.504 0.135 0.264
A 486 SER -0.282 -0.676 -0.302 -0.243
A 487 LYS 0.075 -0.739 0.294 -0.101
A 488 LEU 0.236 -0.310 0.285 0.188
A 489 ARG 0.384 -0.142 0.526 0.302
A 490 LYS 0.372 -0.286 0.565 0.218
A 491 PHE -0.056 -0.749 -0.527 0.213
A 492 LEU 0.072 -0.602 -0.294 0.439
A 493 THR 0.466 0.162 0.503 0.416
A 494 LEU 0.445 0.172 0.613 0.277
A 495 THR -0.125 -0.552 0.007 -0.300
A 496 ARG 0.250 -0.484 0.557 0.074
A 497 PHE 0.160 -0.456 0.221 0.125
A 498 VAL -0.224 -0.775 -0.281 -0.148
A 499 MET -0.204 -0.731 -0.295 -0.112
A 500 GLU 0.176 -0.329 0.272 0.100
A 501 ASP 0.229 -0.275 0.440 0.017
A 502 THR -0.257 -0.637 -0.231 -0.290
A 503 MET -0.050 -0.474 -0.300 0.200
A 504 ARG 0.261 -0.420 0.191 0.301
A 505 ALA 0.101 -0.414 0.167 -0.162
A 506 LEU 0.273 -0.157 0.127 0.419
A 507 VAL 0.200 -0.335 -0.121 0.629
A 508 GLU -0.112 -0.686 0.341 -0.474
A 509 ASP -0.127 -0.730 0.291 -0.546
A 510 SER 0.353 -0.196 0.273 0.513
A 511 LEU 0.421 -0.104 0.402 0.441
A 512 GLY -0.212 -0.548 -0.212 N/A
A 513 LYS 0.004 -0.651 -0.434 0.354
A 514 PHE -0.243 -0.753 -0.423 -0.141
A 515 THR -0.082 -0.594 -0.069 -0.099
A 516 GLY -0.128 -0.383 -0.128 N/A
A 517 PHE 0.216 -0.485 0.007 0.335
A 518 ILE -0.036 -0.416 -0.054 -0.018
A 519 GLN -0.378 -0.730 -0.465 -0.308
A 520 SER -0.359 -0.788 -0.242 -0.593
A 521 CYS 0.352 -0.078 0.358 0.342
A 522 CYS -0.418 -0.741 -0.414 -0.427
A 523 PRO -0.331 -0.736 -0.198 -0.509
A 524 GLY 0.002 -0.613 0.002 N/A
A 525 ARG 0.001 -0.665 -0.002 0.002
A 526 VAL -0.118 -0.482 -0.214 0.011
A 527 THR -0.070 -0.511 0.127 -0.333
A 528 VAL 0.128 -0.336 0.174 0.067
A 529 HIS 0.155 -0.292 0.336 0.034
A 530 SER -0.191 -0.751 0.075 -0.723
A 531 THR -0.344 -0.604 -0.176 -0.568
A 532 SER 0.261 -0.166 0.323 0.138
A 533 SER 0.247 -0.295 0.191 0.358
A 534 VAL -0.343 -0.546 -0.373 -0.304
A 535 GLU 0.214 -0.689 -0.158 0.511
A 536 ILE -0.154 -0.449 -0.044 -0.265
A 537 LEU 0.177 -0.415 0.297 0.056
A 538 ASP 0.031 -0.498 -0.144 0.206
A 539 ALA -0.251 -0.702 -0.138 -0.702
A 540 SER -0.148 -0.602 -0.060 -0.324
A 541 SER 0.229 -0.137 0.327 0.032
A 542 PRO 0.243 -0.680 0.442 -0.022
A 543 VAL -0.067 -0.461 0.005 -0.164
A 544 PRO 0.028 -0.761 -0.065 0.153
A 545 VAL -0.085 -0.403 -0.130 -0.025
A 546 PRO 0.180 -0.342 0.080 0.312
A 547 ALA 0.103 -0.251 -0.030 0.636
A 548 ILE 0.191 -0.478 -0.093 0.476
A 549 GLY -0.575 -0.738 -0.575 N/A
A 550 PRO -0.016 -0.672 -0.255 0.304
A 551 GLY 0.210 -0.051 0.210 N/A
A 552 ARG -0.187 -0.680 -0.199 -0.180
A 553 LYS -0.272 -0.713 -0.260 -0.281
A 554 PRO 0.107 -0.286 0.208 -0.027
A 555 PRO -0.426 -0.782 -0.379 -0.490
A 556 LEU -0.287 -0.658 -0.065 -0.509
A 557 LEU 0.046 -0.591 0.359 -0.267
A 558 VAL -0.151 -0.508 -0.043 -0.296
A 559 MET -0.181 -0.745 -0.322 -0.039
A 560 ASP 0.085 -0.208 -0.007 0.177
A 561 LEU 0.115 -0.276 0.246 -0.016
A 562 ALA -0.100 -0.435 -0.042 -0.332
A 563 THR 0.182 -0.267 0.295 0.031
A 564 ASN 0.189 -0.407 0.245 0.133
A 565 LYS 0.320 -0.205 0.259 0.369
A 566 GLU 0.234 -0.559 0.279 0.198
A 567 ALA -0.299 -0.591 -0.362 -0.046
A 568 THR -0.107 -0.638 -0.058 -0.172
A 569 ARG -0.096 -0.612 -0.020 -0.139
A 570 PHE -0.080 -0.726 0.383 -0.344
A 571 VAL 0.150 -0.505 0.329 -0.090
A 572 TYR 0.114 -0.497 -0.176 0.259
A 573 SER 0.091 -0.308 0.207 -0.140
A 574 THR -0.090 -0.743 -0.505 0.463
A 575 GLN -0.228 -0.788 -0.324 -0.151
A 576 PRO 0.163 -0.424 -0.020 0.407
A 577 GLU 0.155 -0.201 -0.028 0.301
A 578 SER -0.030 -0.344 -0.004 -0.082
A 579 ILE -0.039 -0.664 0.122 -0.200
A 580 VAL -0.013 -0.304 -0.227 0.273
A 581 THR -0.098 -0.743 -0.199 0.037
A 582 LYS -0.096 -0.753 0.040 -0.204
A 583 ILE 0.148 -0.190 -0.129 0.424
A 584 MET 0.088 -0.678 0.315 -0.139
A 585 ALA 0.283 -0.214 0.262 0.367
A 586 LEU -0.009 -0.654 0.237 -0.255
A 587 PHE -0.134 -0.396 -0.203 -0.094
A 588 ASP 0.137 -0.388 0.214 0.060
A 589 ALA -0.133 -0.828 -0.258 0.367
A 590 ALA -0.156 -0.530 -0.373 0.714
A 591 ILE 0.324 -0.059 0.415 0.233
A 592 GLY -0.500 -0.770 -0.500 N/A
A 593 ARG 0.084 -0.553 0.191 0.023
A 594 THR -0.175 -0.297 -0.134 -0.229
A 595 GLN 0.330 -0.238 0.278 0.373
A 596 GLY -0.156 -0.364 -0.156 N/A
A 597 LEU 0.297 -0.101 0.510 0.084
A 598 HIS 0.283 -0.325 0.320 0.259
A 599 THR 0.091 -0.646 -0.214 0.497
A 600 LEU 0.210 -0.227 0.144 0.276
A 601 GLU 0.014 -0.784 -0.089 0.097
A 602 PRO -0.049 -0.475 -0.220 0.179
A 603 ALA 0.341 0.024 0.401 0.102
A 604 ILE -0.096 -0.259 0.012 -0.204
A 605 MET -0.121 -0.788 -0.068 -0.173
A 606 GLU -0.047 -0.639 -0.148 0.034
A 607 ASN 0.066 -0.263 0.178 -0.046
A 608 LEU -0.049 -0.498 0.012 -0.110
A 609 PHE -0.005 -0.454 0.188 -0.116
A 610 TRP -0.204 -0.671 0.049 -0.305
A 611 ALA 0.131 -0.156 0.202 -0.156
A 612 THR 0.351 -0.469 0.226 0.518
A 613 ALA 0.118 -0.427 0.109 0.154
A 614 PRO 0.034 -0.777 -0.232 0.388
A 615 VAL 0.049 -0.241 0.078 0.011
A 616 LEU 0.310 -0.195 0.569 0.051
A 617 SER 0.103 -0.317 0.151 0.008
A 618 THR -0.176 -0.806 0.159 -0.624
A 619 VAL 0.138 -0.379 0.130 0.149
A 620 HIS -0.055 -0.582 -0.004 -0.088
A 621 GLN 0.083 -0.637 0.479 -0.233
A 622 GLN 0.172 -0.507 0.063 0.258
A 623 GLU -0.193 -0.721 -0.039 -0.316
A 624 GLU 0.168 -0.375 0.221 0.126
A 625 ILE 0.041 -0.595 0.104 -0.023
A 626 VAL 0.269 -0.057 0.360 0.148
A 627 VAL -0.088 -0.654 -0.017 -0.182
A 628 ARG 0.226 -0.722 0.457 0.094
A 629 HIS 0.073 -0.660 0.008 0.117
A 630 ARG 0.008 -0.477 -0.202 0.128
A 631 GLU -0.207 -0.586 -0.025 -0.353
A 632 LEU 0.032 -0.769 -0.130 0.194
A 633 LEU -0.029 -0.507 0.288 -0.347
A 634 ARG 0.151 -0.622 0.426 -0.006
A 635 ALA -0.026 -0.204 -0.054 0.088
A 636 ALA -0.060 -0.458 -0.026 -0.195
A 637 LEU 0.186 -0.199 0.016 0.356
A 638 SER 0.071 -0.273 -0.065 0.342
A 639 ALA -0.062 -0.539 0.057 -0.539
A 640 ALA -0.073 -0.467 -0.215 0.493
A 641 LEU -0.247 -0.485 -0.232 -0.262
A 642 VAL -0.126 -0.672 -0.123 -0.131
A 643 PRO 0.253 -0.367 0.531 -0.117
A 644 LEU 0.072 -0.413 0.040 0.103
A 645 GLU -0.076 -0.735 0.236 -0.325
A 646 GLU 0.089 -0.692 0.080 0.097
A 647 TYR 0.374 -0.295 0.339 0.391
A 648 MET 0.113 -0.613 0.477 -0.250
A 649 ALA -0.007 -0.537 0.017 -0.104
A 650 LYS 0.102 -0.331 0.345 -0.093
A 651 PHE -0.043 -0.563 -0.056 -0.035
A 652 GLU 0.174 -0.280 0.119 0.219
A 653 LYS 0.057 -0.750 -0.111 0.192
A 654 TYR -0.226 -0.462 -0.202 -0.238
A 655 VAL -0.179 -0.858 -0.170 -0.191
A 656 PRO -0.300 -0.507 -0.202 -0.432
A 657 LEU -0.381 -0.787 -0.245 -0.516
A 658 LEU 0.024 -0.469 0.006 0.041
A 659 GLN 0.237 -0.274 0.248 0.228
A 660 LEU -0.061 -0.645 -0.125 0.002
A 661 ASN 0.081 -0.221 0.081 0.081
A 662 VAL 0.090 -0.533 -0.060 0.291
A 663 GLU -0.229 -0.675 -0.251 -0.211
A 664 SER 0.068 -0.301 -0.090 0.385
A 665 TYR 0.212 -0.304 0.436 0.101
A 666 VAL 0.144 -0.378 0.071 0.242
A 667 ALA 0.131 -0.312 0.242 -0.312
A 668 ALA -0.175 -0.718 -0.277 0.232
A 669 LEU 0.217 -0.189 0.248 0.187
A 670 GLU 0.036 -0.500 -0.147 0.183
A 671 ALA -0.047 -0.250 0.004 -0.250
A 672 LYS 0.211 -0.426 -0.038 0.411
A 673 GLY -0.076 -0.710 -0.076 N/A
A 674 GLU 0.204 -0.220 0.369 0.072
A 675 GLU 0.259 -0.234 0.156 0.342
A 676 LEU -0.039 -0.431 -0.037 -0.040
A 677 SER 0.046 -0.239 -0.054 0.246
A 678 LEU 0.159 -0.355 0.299 0.019
A 679 THR 0.284 -0.428 0.517 -0.026
A 680 GLU 0.253 -0.308 0.195 0.299
A 681 VAL 0.365 0.116 0.387 0.336
A 682 ARG -0.164 -0.660 0.410 -0.492
A 683 ALA 0.460 -0.080 0.595 -0.080
A 684 GLU 0.199 -0.294 0.365 0.067
A 685 ILE 0.135 -0.196 0.078 0.192
A 686 LYS -0.028 -0.352 -0.110 0.037
A 687 ARG -0.018 -0.622 0.268 -0.181
A 688 ALA -0.074 -0.441 0.018 -0.441
A 689 SER -0.414 -0.647 -0.342 -0.560
A 690 ALA 0.115 -0.344 0.112 0.127
A 691 ASP 0.097 -0.390 0.310 -0.115
A 692 LEU -0.148 -0.563 -0.055 -0.240
A 693 GLU 0.103 -0.316 0.011 0.177
A 694 SER -0.181 -0.437 -0.170 -0.202
A 695 LEU -0.214 -0.800 -0.485 0.058
A 696 MET -0.154 -0.347 -0.018 -0.291
A 697 GLU -0.303 -0.753 -0.183 -0.399
A 698 SER -0.307 -0.527 -0.266 -0.390
A 699 VAL -0.323 -0.737 -0.317 -0.331
A 700 PRO -0.376 -0.632 -0.336 -0.430
A 701 ILE -0.106 -0.595 0.003 -0.216
A 702 GLY -0.259 -0.373 -0.259 N/A
A 703 ILE -0.263 -0.788 -0.462 -0.063
A 704 SER 0.080 -0.541 -0.069 0.379
A 705 LEU -0.290 -0.497 -0.236 -0.343
A 706 GLY -0.162 -0.597 -0.162 N/A
A 707 LEU -0.289 -0.458 -0.326 -0.252
A 708 VAL 0.013 -0.796 -0.426 0.599
A 709 GLN -0.203 -0.634 -0.198 -0.208
A 710 ILE -0.214 -0.815 -0.217 -0.210
A 711 ASN 0.146 -0.218 0.108 0.183
A 712 LEU -0.419 -0.797 -0.298 -0.539
A 713 VAL -0.117 -0.615 -0.067 -0.184
A 714 LYS -0.093 -0.646 -0.289 0.064
A 715 THR 0.071 -0.348 0.140 -0.022
A 716 ARG -0.015 -0.392 0.037 -0.045
A 717 GLU -0.106 -0.581 -0.241 0.001
A 718 LEU 0.172 -0.462 0.109 0.235
A 719 LEU -0.093 -0.467 -0.111 -0.075
A 720 VAL 0.318 -0.453 0.259 0.396
A 721 LYS -0.048 -0.408 0.075 -0.147
A 722 LYS 0.168 -0.476 0.489 -0.088
A 723 GLN 0.270 -0.362 0.500 0.085
A 724 GLU 0.174 -0.205 0.208 0.147
A 725 LYS 0.063 -0.650 -0.215 0.285
A 726 LEU 0.299 -0.283 0.114 0.483
A 727 VAL -0.221 -0.579 -0.259 -0.170
A 728 ALA 0.304 -0.046 0.281 0.397
A 729 LEU 0.056 -0.536 0.183 -0.072
A 730 LEU 0.053 -0.711 0.132 -0.026
A 731 LYS 0.214 -0.188 -0.051 0.427
A 732 ALA 0.284 -0.273 0.307 0.191
A 733 LEU 0.011 -0.618 0.367 -0.346
A 734 ALA 0.161 -0.350 0.235 -0.134
A 735 ALA 0.312 -0.005 0.320 0.282
A 736 ARG 0.027 -0.614 -0.004 0.045
A 737 VAL 0.159 -0.585 0.175 0.138
A 738 PRO -0.160 -0.651 -0.290 0.013
A 739 ARG 0.005 -0.638 -0.175 0.107
A 740 ARG 0.121 -0.616 0.130 0.116
A 741 ALA -0.409 -0.694 -0.535 0.093
A 742 MET 0.249 -0.452 0.306 0.191
A 743 ALA -0.170 -0.583 -0.182 -0.119
A 744 SER 0.104 -0.526 0.013 0.284
A 745 VAL 0.266 -0.024 0.264 0.268
A 746 SER 0.201 -0.528 0.187 0.228
A 747 THR 0.086 -0.187 0.218 -0.091
A 748 LYS 0.295 -0.359 0.315 0.278
A 749 PHE 0.056 -0.521 0.083 0.041
A 750 ALA -0.137 -0.475 -0.287 0.463
A 751 GLU 0.154 -0.494 0.190 0.125
A 752 ILE 0.166 -0.413 0.104 0.229
A 753 ASP 0.124 -0.631 0.034 0.214
A 754 ARG -0.208 -0.763 -0.193 -0.217
A 755 ALA -0.028 -0.664 -0.150 0.460
A 756 LEU 0.052 -0.432 -0.027 0.131
A 757 LYS 0.217 -0.645 0.114 0.300
A 758 ALA 0.031 -0.231 0.080 -0.163
A 759 LYS -0.104 -0.609 -0.007 -0.181
A 760 ALA -0.114 -0.481 -0.063 -0.322
A 761 ASN 0.060 -0.693 0.328 -0.207
A 762 ASN 0.001 -0.319 0.061 -0.059
A 763 LEU -0.018 -0.787 -0.320 0.284
A 764 GLU 0.176 -0.500 0.193 0.162
A 765 ASP -0.206 -0.622 -0.241 -0.170
A 766 VAL 0.146 -0.524 0.102 0.205
A 767 ASP 0.112 -0.585 -0.065 0.289
A 768 GLU -0.110 -0.695 0.162 -0.327
A 769 GLN 0.003 -0.744 -0.351 0.287
A 770 ARG -0.274 -0.765 -0.376 -0.215
A 771 HIS -0.089 -0.634 -0.097 -0.084
A 772 TYR 0.106 -0.757 -0.056 0.187
A 773 ILE 0.169 -0.647 0.161 0.178
A 774 GLU -0.081 -0.558 -0.241 0.048
A 775 SER 0.149 -0.169 0.258 -0.067
A 776 LEU -0.211 -0.588 -0.267 -0.154
A 777 PRO 0.063 -0.396 0.047 0.085
A 778 ASN -0.079 -0.645 -0.256 0.098
A 779 LYS -0.029 -0.541 -0.052 -0.010
A 780 VAL -0.099 -0.582 -0.073 -0.133
A 781 TYR 0.015 -0.577 -0.029 0.037
A 782 GLU -0.092 -0.846 0.197 -0.324
A 783 LEU 0.182 -0.203 0.274 0.090
A 784 MET -0.030 -0.691 -0.396 0.336
A 785 ALA -0.045 -0.384 0.012 -0.269
A 786 ASP 0.019 -0.568 -0.204 0.243
A 787 VAL 0.047 -0.410 -0.186 0.358
A 788 GLU -0.123 -0.611 -0.050 -0.182
A 789 ALA -0.275 -0.640 -0.253 -0.361
A 790 GLN 0.149 -0.521 0.093 0.194
A 791 ARG 0.020 -0.508 -0.046 0.057
A 792 GLY 0.388 0.201 0.388 N/A
A 793 TRP 0.056 -0.482 0.214 -0.007
A 794 TYR 0.017 -0.763 0.403 -0.177
A 795 GLU 0.305 -0.149 0.190 0.397
A 796 LEU 0.088 -0.218 0.195 -0.020
A 797 LEU 0.332 -0.251 0.431 0.232
A 798 GLU -0.107 -0.676 -0.383 0.114
A 799 GLY -0.603 -0.652 -0.603 N/A
A 800 MET 0.063 -0.339 -0.036 0.161
A 801 ARG 0.252 -0.254 0.084 0.349
A 802 TYR -0.118 -0.486 0.023 -0.189
A 803 LEU 0.049 -0.585 -0.062 0.160
A 804 LEU 0.073 -0.323 0.260 -0.115
A 805 PRO -0.375 -0.784 -0.233 -0.564
A 806 GLU -0.174 -0.509 -0.367 -0.020
A 807 GLU 0.267 -0.033 0.366 0.188
A 808 ASP 0.021 -0.687 -0.168 0.210
A 809 LEU -0.125 -0.518 0.176 -0.427
A 810 LYS 0.229 -0.248 0.235 0.224
A 811 GLU -0.364 -0.722 -0.371 -0.358
A 812 LYS 0.270 -0.510 0.226 0.306
A 813 PHE -0.080 -0.413 0.162 -0.218
A 814 ALA -0.086 -0.680 -0.212 0.418
A 815 GLY -0.079 -0.328 -0.079 N/A
A 816 GLU -0.154 -0.514 -0.306 -0.032
A 817 SER 0.372 0.188 0.285 0.545
A 818 TRP 0.039 -0.733 0.386 -0.100
A 819 GLY -0.329 -0.826 -0.329 N/A
A 820 MET 0.187 -0.563 0.004 0.369
A 821 ARG 0.236 -0.440 0.182 0.267
A 822 LEU 0.182 -0.539 0.456 -0.093
A 823 THR -0.053 -0.773 0.095 -0.250
A 824 ARG 0.010 -0.533 0.308 -0.161
A 825 GLN 0.106 -0.618 -0.003 0.193
A 826 ALA 0.343 0.032 0.338 0.363
A 827 GLU 0.132 -0.676 0.366 -0.055
A 828 LYS 0.124 -0.400 0.017 0.209
A 829 GLN -0.113 -0.579 -0.445 0.152
A 830 LEU 0.015 -0.307 0.125 -0.096
A 831 GLU -0.080 -0.594 -0.179 -0.001
A 832 VAL -0.098 -0.486 0.118 -0.385
A 833 LEU 0.169 -0.324 0.302 0.036
A 834 ALA -0.251 -0.402 -0.309 -0.019
A 835 GLY 0.136 0.066 0.136 N/A
A 836 ASP -0.123 -0.808 -0.402 0.157
A 837 GLU -0.200 -0.488 -0.133 -0.254
A 838 ALA 0.125 -0.361 -0.024 0.721
A 839 ARG 0.323 -0.400 0.405 0.276
A 840 PHE -0.217 -0.718 -0.304 -0.167
A 841 LYS 0.053 -0.362 0.162 -0.035
A 842 GLY 0.047 -0.656 0.047 N/A
A 843 GLU 0.266 -0.619 0.282 0.253
A 844 MET -0.118 -0.714 0.025 -0.260
A 845 ILE 0.023 -0.527 0.123 -0.077
A 846 THR -0.184 -0.679 -0.182 -0.187
A 847 GLU 0.022 -0.402 -0.020 0.056
A 848 GLN 0.151 -0.547 0.521 -0.144
A 849 ASP -0.352 -0.875 -0.367 -0.338
A 850 MET -0.206 -0.689 -0.516 0.105
A 851 PHE 0.208 -0.602 0.191 0.218
A 852 ARG -0.054 -0.610 -0.013 -0.077
A 853 ASP -0.055 -0.616 0.002 -0.111
A 854 THR -0.069 -0.706 -0.097 -0.032
A 855 ILE -0.088 -0.743 -0.139 -0.038
A 856 GLY 0.197 -0.042 0.197 N/A
A 857 ASP -0.104 -0.732 0.045 -0.253
A 858 LEU -0.090 -0.569 -0.177 -0.002
A 859 GLN -0.397 -0.713 -0.381 -0.411
A 860 VAL 0.097 -0.709 0.064 0.141
A 861 LEU 0.081 -0.571 0.368 -0.207
A 862 VAL 0.093 -0.471 0.313 -0.201
A 863 SER 0.266 -0.369 0.098 0.602
A 864 ASN 0.005 -0.346 -0.033 0.043
A 865 PHE 0.061 -0.852 0.090 0.045
A 866 GLY -0.003 -0.060 -0.003 N/A
A 867 LEU 0.155 -0.581 0.055 0.255
A 868 TYR -0.095 -0.778 -0.054 -0.115
A 869 THR 0.049 -0.503 0.232 -0.194
A 870 ASP 0.049 -0.772 -0.056 0.154
A 871 LEU -0.157 -0.732 -0.231 -0.084
A 872 GLY 0.037 -0.695 0.037 N/A
A 873 LYS 0.099 -0.594 0.140 0.067
A 874 MET "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: 4.5 (Core Profile) Mesa 23.2.1-1ubuntu3.1~22.04.2
OpenGL renderer: llvmpipe (LLVM 15.0.7, 256 bits)
OpenGL vendor: Mesa
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=wayland
DESKTOP_SESSION=ubuntu
XDG_SESSION_DESKTOP=ubuntu
XDG_CURRENT_DESKTOP=ubuntu:GNOME
WAYLAND_DISPLAY=wayland-0
GNOME_SETUP_DISPLAY=:1
DISPLAY=:0
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 8.2Gi 109Gi 654Mi 7.8Gi 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 modules: nvidiafb, nouveau
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 , 7 weeks ago
| Component: | Unassigned → Third Party |
|---|---|
| Owner: | set to |
| Platform: | → all |
| Project: | → ChimeraX |
| Status: | new → assigned |
| Summary: | ChimeraX bug report submission → QScore: 'scores' is None |
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