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anton-bushuievanton-bushuiev
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Fix lfs-broken files
1 parent 405fd6c commit 6da2ca0

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9 files changed

+3438
-25
lines changed

9 files changed

+3438
-25
lines changed

‎mutils/datasets/7FAE/7FAE-RBD-Fv_A_H_L.pdb‎

Lines changed: 1530 additions & 3 deletions
Large diffs are not rendered by default.

‎mutils/datasets/7FAE/shan2022_covid_SKEMPI_format.csv‎

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -492,4 +492,4 @@
492492
7FAE-RBD-Fv_A_H_L,YH32S,1
493493
7FAE-RBD-Fv_A_H_L,YH32T,1
494494
7FAE-RBD-Fv_A_H_L,YH32V,1
495-
7FAE-RBD-Fv_A_H_L,YH32W,1
495+
7FAE-RBD-Fv_A_H_L,YH32W,1

‎mutils/datasets/SAK/1bui_A_C.pdb‎

Lines changed: 1004 additions & 3 deletions
Large diffs are not rendered by default.

‎mutils/datasets/SAK/laroche2000_sak_SKEMPI_format.csv‎

Lines changed: 81 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -1,3 +1,81 @@
1-
version https://git-lfs.github.com/spec/v1
2-
oid sha256:67a3c4f5447f76b47e6d6e3f82b15234658aaad67a6b85844047c3adc70f4dfe
3-
size 2790
1+
#Pdb,Mutation(s),Activity,Activity enhancement,2x activity enhancement
2+
1bui_A_C,"EC38A,EC75A",66,False,False
3+
1bui_A_C,KC74A,100,False,False
4+
1bui_A_C,EC75A,140,True,False
5+
1bui_A_C,SC16A,160,True,False
6+
1bui_A_C,"YC17A,FC18A",30,False,False
7+
1bui_A_C,"EC19A,PC20A",9,False,False
8+
1bui_A_C,TC21A,170,True,False
9+
1bui_A_C,PC23A,67,False,False
10+
1bui_A_C,YC24A,40,False,False
11+
1bui_A_C,VC27A,50,False,False
12+
1bui_A_C,NC28A,5,False,False
13+
1bui_A_C,"NC28A,VC29A",45,False,False
14+
1bui_A_C,TC30A,140,True,False
15+
1bui_A_C,VC32A,45,False,False
16+
1bui_A_C,GC36A,72,False,False
17+
1bui_A_C,NC37A,110,False,False
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1bui_A_C,"LC39A,LC40A",5,False,False
19+
1bui_A_C,"SC41A,PC42A",48,False,False
20+
1bui_A_C,HC43A,69,False,False
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1bui_A_C,"HC43A,YC44A",5,False,False
22+
1bui_A_C,VC45A,5,False,False
23+
1bui_A_C,FC47A,5,False,False
24+
1bui_A_C,LC68A,93,False,False
25+
1bui_A_C,YC73A,5,False,False
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1bui_A_C,"YC73A,KC74A",5,False,False
27+
1bui_A_C,KC74A,69,False,False
28+
1bui_A_C,FC76A,90,False,False
29+
1bui_A_C,VC89A,87,False,False
30+
1bui_A_C,TC90A,120,False,False
31+
1bui_A_C,YC91A,53,False,False
32+
1bui_A_C,YC92A,120,False,False
33+
1bui_A_C,EC99A,42,False,False
34+
1bui_A_C,TC101A,85,False,False
35+
1bui_A_C,KC102A,89,False,False
36+
1bui_A_C,"HC119A,KC121A",130,False,False
37+
1bui_A_C,IC120A,75,False,False
38+
1bui_A_C,NC122A,19,False,False
39+
1bui_A_C,FC125A,10,False,False
40+
1bui_A_C,NC126V,51,False,False
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1bui_A_C,LC127A,54,False,False
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1bui_A_C,IC128A,20,False,False
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1bui_A_C,TC129A,190,True,False
44+
1bui_A_C,KC130A,280,True,True
45+
1bui_A_C,IC133A,99,False,False
46+
1bui_A_C,KC135A,410,True,True
47+
1bui_A_C,GC36E,66,False,False
48+
1bui_A_C,GC36K,88,False,False
49+
1bui_A_C,GC36L,92,False,False
50+
1bui_A_C,GC36N,91,False,False
51+
1bui_A_C,GC36Q,92,False,False
52+
1bui_A_C,GC36R,100,False,False
53+
1bui_A_C,HC43R,120,False,False
54+
1bui_A_C,"GC36R,KC74A",35,False,False
55+
1bui_A_C,"GC36R,KC74R",150,True,False
56+
1bui_A_C,"GC36R,KC74A,KC135R",33,False,False
57+
1bui_A_C,"GC36R,KC74R,KC135R",75,False,False
58+
1bui_A_C,YC73F,31,False,False
59+
1bui_A_C,YC73H,5,False,False
60+
1bui_A_C,YC73L,5,False,False
61+
1bui_A_C,YC73S,5,False,False
62+
1bui_A_C,YC73W,27,False,False
63+
1bui_A_C,KC74E,5,False,False
64+
1bui_A_C,KC74N,39,False,False
65+
1bui_A_C,KC74Q,110,False,False
66+
1bui_A_C,KC74R,150,True,False
67+
1bui_A_C,KC130T,290,True,True
68+
1bui_A_C,KC135F,64,False,False
69+
1bui_A_C,KC135R,230,True,False
70+
1bui_A_C,"YC73F,KC74A",6,False,False
71+
1bui_A_C,"KC130T,KC135R",280,True,True
72+
1bui_A_C,"GC36R,KC130T,KC135R",220,True,False
73+
1bui_A_C,"KC74R,KC130T,KC135R",310,True,True
74+
1bui_A_C,"KC74Q,KC130T,KC135R",190,True,False
75+
1bui_A_C,"GC36R,KC74R,KC130T,KC135R",210,True,False
76+
1bui_A_C,"GC36R,KC74Q,KC130T,KC135R",120,False,False
77+
1bui_A_C,"GC36R,HC43R,KC74R,KC130T,KC135R",160,True,False
78+
1bui_A_C,"KC74Q,KC86A,KC130T,KC135R",130,False,False
79+
1bui_A_C,"KC74Q,KC130A,KC135R",240,True,False
80+
1bui_A_C,"KC74Q,KC130E,KC135R",300,True,True
81+
1bui_A_C,KC102C,143,True,False

‎mutils/datasets/SAK/predictions_test/results_MSA_Transformer.csv‎

Lines changed: 81 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -1,3 +1,81 @@
1-
version https://git-lfs.github.com/spec/v1
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oid sha256:55e5dcf6b1eb974cc0da4f62d10987f03df7d7c07d72c4bfa7332d77839c6465
3-
size 3559
1+
,mutstr,complex,ddG,ddG_pred
2+
9,"EC38A,EC75A",1bui_A_C,66,8.6569504737854
3+
12,KC74A,1bui_A_C,100,6.612813949584961
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13,EC75A,1bui_A_C,140,4.53631067276001
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25,SC16A,1bui_A_C,160,2.9778757095336914
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26,"YC17A,FC18A",1bui_A_C,30,18.784698963165283
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27,"EC19A,PC20A",1bui_A_C,9,11.20140790939331
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28,TC21A,1bui_A_C,170,2.0600790977478027
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29,PC23A,1bui_A_C,67,4.963394165039063
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30,YC24A,1bui_A_C,40,7.930652141571045
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31,VC27A,1bui_A_C,50,4.840305805206299
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32,NC28A,1bui_A_C,5,8.017375946044922
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33,"NC28A,VC29A",1bui_A_C,45,12.815409660339355
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34,TC30A,1bui_A_C,140,3.652967929840088
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35,VC32A,1bui_A_C,45,3.4266433715820312
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39,GC36A,1bui_A_C,72,4.967008590698242
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40,NC37A,1bui_A_C,110,7.039917469024658
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41,"LC39A,LC40A",1bui_A_C,5,11.118677139282227
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42,"SC41A,PC42A",1bui_A_C,48,10.885426044464111
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43,HC43A,1bui_A_C,69,6.909015655517578
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44,"HC43A,YC44A",1bui_A_C,5,17.178224563598633
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45,VC45A,1bui_A_C,5,3.0117154121398926
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46,FC47A,1bui_A_C,5,9.182188987731934
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60,LC68A,1bui_A_C,93,9.286913871765137
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61,YC73A,1bui_A_C,5,6.678636074066162
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62,"YC73A,KC74A",1bui_A_C,5,13.291450023651123
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63,KC74A,1bui_A_C,69,6.612813949584961
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66,FC76A,1bui_A_C,90,9.45422077178955
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73,VC89A,1bui_A_C,87,3.3346166610717773
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74,TC90A,1bui_A_C,120,2.7635936737060547
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75,YC91A,1bui_A_C,53,10.20395565032959
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76,YC92A,1bui_A_C,120,6.775279521942139
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81,EC99A,1bui_A_C,42,4.182884216308594
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82,TC101A,1bui_A_C,85,3.998883247375488
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83,KC102A,1bui_A_C,89,6.463698387145996
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94,"HC119A,KC121A",1bui_A_C,130,13.770451545715332
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95,IC120A,1bui_A_C,75,3.216280698776245
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96,NC122A,1bui_A_C,19,7.808391094207764
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97,FC125A,1bui_A_C,10,10.753469467163086
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98,NC126V,1bui_A_C,51,5.966513633728027
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99,LC127A,1bui_A_C,54,10.65344524383545
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100,IC128A,1bui_A_C,20,3.308908462524414
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101,TC129A,1bui_A_C,190,2.9365944862365723
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102,KC130A,1bui_A_C,280,7.22899866104126
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105,IC133A,1bui_A_C,99,5.118464946746826
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107,KC135A,1bui_A_C,410,5.645404815673828
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109,GC36E,1bui_A_C,66,3.997128486633301
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110,GC36K,1bui_A_C,88,5.607996940612793
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111,GC36L,1bui_A_C,92,9.927879333496094
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112,GC36N,1bui_A_C,91,5.02547025680542
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113,GC36Q,1bui_A_C,92,7.430307865142822
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114,GC36R,1bui_A_C,100,4.378649711608887
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115,HC43R,1bui_A_C,120,2.773331642150879
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120,"GC36R,KC74A",1bui_A_C,35,10.991463661193848
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121,"GC36R,KC74R",1bui_A_C,150,7.7695746421813965
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123,"GC36R,KC74A,KC135R",1bui_A_C,33,13.584702491760254
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124,"GC36R,KC74R,KC135R",1bui_A_C,75,10.362813472747803
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127,YC73F,1bui_A_C,31,3.896830081939697
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128,YC73H,1bui_A_C,5,2.134103298187256
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129,YC73L,1bui_A_C,5,6.116880893707275
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130,YC73S,1bui_A_C,5,4.531061172485352
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131,YC73W,1bui_A_C,27,7.608181476593018
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132,KC74E,1bui_A_C,5,2.962181568145752
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133,KC74N,1bui_A_C,39,2.5140066146850586
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134,KC74Q,1bui_A_C,110,3.3118209838867188
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135,KC74R,1bui_A_C,150,3.3909249305725098
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139,KC130T,1bui_A_C,290,4.850827217102051
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144,KC135F,1bui_A_C,64,11.14496898651123
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145,KC135R,1bui_A_C,230,2.5932388305664062
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147,"YC73F,KC74A",1bui_A_C,6,10.509644031524658
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150,"KC130T,KC135R",1bui_A_C,280,7.444066047668457
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151,"GC36R,KC130T,KC135R",1bui_A_C,220,11.822715759277344
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152,"KC74R,KC130T,KC135R",1bui_A_C,310,10.834990978240967
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153,"KC74Q,KC130T,KC135R",1bui_A_C,190,10.755887031555176
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154,"GC36R,KC74R,KC130T,KC135R",1bui_A_C,210,15.213640689849854
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155,"GC36R,KC74Q,KC130T,KC135R",1bui_A_C,120,15.134536743164062
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156,"GC36R,HC43R,KC74R,KC130T,KC135R",1bui_A_C,160,17.986972332000732
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163,"KC74Q,KC86A,KC130T,KC135R",1bui_A_C,130,17.178324699401855
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167,"KC74Q,KC130A,KC135R",1bui_A_C,240,13.134058475494385
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169,"KC74Q,KC130E,KC135R",1bui_A_C,300,10.03900146484375
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221,KC102C,1bui_A_C,143,9.517720222473145

‎mutils/datasets/SAK/predictions_test/results_ppiformer.csv‎

Lines changed: 81 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -1,3 +1,81 @@
1-
version https://git-lfs.github.com/spec/v1
2-
oid sha256:ec48d7d31bdf153b330a21c9fe6f65aadfab129eb155eb49cf494f24af4935b3
3-
size 3379
1+
complex,mutstr,ddG_pred,ddG
2+
1bui_A_C,"EC38A,EC75A",1.7833086252212524,66
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1bui_A_C,KC74A,0.48245128989219666,100
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1bui_A_C,EC75A,0.6207218170166016,140
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1bui_A_C,SC16A,-0.3707726001739502,160
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1bui_A_C,"YC17A,FC18A",0.5428133606910706,30
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1bui_A_C,"EC19A,PC20A",1.7170559167861938,9
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1bui_A_C,TC21A,-0.1952274590730667,170
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1bui_A_C,PC23A,0.47507643699645996,67
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1bui_A_C,YC24A,1.3826093673706055,40
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1bui_A_C,VC27A,0.3763996660709381,50
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1bui_A_C,NC28A,1.4182199239730835,5
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1bui_A_C,"NC28A,VC29A",2.375952959060669,45
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1bui_A_C,TC30A,0.9011092185974121,140
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1bui_A_C,VC32A,0.09091059118509293,45
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1bui_A_C,GC36A,0.3709409236907959,72
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1bui_A_C,NC37A,0.41346192359924316,110
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1bui_A_C,"LC39A,LC40A",1.9220446348190308,5
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1bui_A_C,"SC41A,PC42A",0.5611264109611511,48
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1bui_A_C,HC43A,0.3172558844089508,69
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1bui_A_C,"HC43A,YC44A",1.9672902822494507,5
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1bui_A_C,VC45A,0.7261645793914795,5
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1bui_A_C,FC47A,1.5188201665878296,5
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1bui_A_C,LC68A,1.7466564178466797,93
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1bui_A_C,YC73A,0.40493297576904297,5
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1bui_A_C,"YC73A,KC74A",0.9259790778160095,5
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1bui_A_C,KC74A,0.48245128989219666,69
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1bui_A_C,FC76A,0.3391851484775543,90
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1bui_A_C,VC89A,1.0285723209381104,87
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1bui_A_C,TC90A,1.008459448814392,120
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1bui_A_C,YC91A,1.9502182006835938,53
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1bui_A_C,YC92A,1.7039896249771118,120
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1bui_A_C,EC99A,1.1456342935562134,42
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1bui_A_C,TC101A,0.7246981263160706,85
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1bui_A_C,KC102A,0.26225653290748596,89
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1bui_A_C,"HC119A,KC121A",1.8614238500595093,130
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1bui_A_C,IC120A,0.12614385783672333,75
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1bui_A_C,NC122A,1.3520079851150513,19
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1bui_A_C,FC125A,1.8307615518569946,10
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1bui_A_C,NC126V,1.1274504661560059,51
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1bui_A_C,LC127A,1.6116610765457153,54
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1bui_A_C,IC128A,0.6589372754096985,20
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1bui_A_C,TC129A,0.41383686661720276,190
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1bui_A_C,KC130A,0.6282537579536438,280
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1bui_A_C,IC133A,0.9396925568580627,99
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1bui_A_C,KC135A,0.4736662805080414,410
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1bui_A_C,GC36E,0.1039435863494873,66
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1bui_A_C,GC36K,0.11625012010335922,88
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1bui_A_C,GC36L,0.4917326867580414,92
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1bui_A_C,GC36N,0.6934165954589844,91
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1bui_A_C,GC36Q,0.46240878105163574,92
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1bui_A_C,GC36R,0.28710174560546875,100
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1bui_A_C,HC43R,-0.0284907016903162,120
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1bui_A_C,"GC36R,KC74A",0.7692360281944275,35
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1bui_A_C,"GC36R,KC74R",0.4213637411594391,150
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1bui_A_C,"GC36R,KC74A,KC135R",0.29733195900917053,33
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1bui_A_C,"GC36R,KC74R,KC135R",0.00160980224609375,75
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1bui_A_C,YC73F,-0.049486082047224045,31
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1bui_A_C,YC73H,0.2791188657283783,5
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1bui_A_C,YC73L,-0.014868736267089844,5
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1bui_A_C,YC73S,0.5184395909309387,5
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1bui_A_C,YC73W,0.2521507740020752,27
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1bui_A_C,KC74E,0.27320408821105957,5
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1bui_A_C,KC74N,0.1896170824766159,39
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1bui_A_C,KC74Q,0.5110280513763428,110
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1bui_A_C,KC74R,0.13406236469745636,150
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1bui_A_C,KC130T,-0.09177502244710922,290
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1bui_A_C,KC135F,-0.3211019039154053,64
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1bui_A_C,KC135R,-0.23107950389385223,230
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1bui_A_C,"YC73F,KC74A",0.4413537085056305,6
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1bui_A_C,"KC130T,KC135R",-0.38078752160072327,280
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1bui_A_C,"GC36R,KC130T,KC135R",-0.11816390603780746,220
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1bui_A_C,"KC74R,KC130T,KC135R",-0.44674959778785706,310
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1bui_A_C,"KC74Q,KC130T,KC135R",-0.11406731605529785,190
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1bui_A_C,"GC36R,KC74R,KC130T,KC135R",-0.18284456431865692,210
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1bui_A_C,"GC36R,KC74Q,KC130T,KC135R",0.14951610565185547,120
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1bui_A_C,"GC36R,HC43R,KC74R,KC130T,KC135R",-0.21507970988750458,160
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1bui_A_C,"KC74Q,KC86A,KC130T,KC135R",-0.007661501411348581,130
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1bui_A_C,"KC74Q,KC130A,KC135R",0.6025454998016357,240
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1bui_A_C,"KC74Q,KC130E,KC135R",0.26734766364097595,300
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1bui_A_C,KC102C,-0.2441871166229248,143

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