PyHDX 0.4.4+45.g73796dc.dirty 
2025/12/17 13:48:46 (1765975726) 

Metadata
--------
r1: 1
r2: 1
r2_reference: false
epochs: 200
patience: 50
stop_loss: 5.0e-06
optimizer: SGD
lr: 10000.0
momentum: 0.5
nesterov: true
model_name: DeltaGFit
total_loss: 4.871061203129713
mse_loss: 4.642073672161956
reg_loss: 0.22898753096775692
regularization_percentage: 4.700978317017035
epochs_run: 200

state    SecB_tetramer                                                                   SecB_dimer                                                                   SecB_dimer_deltaC                                                                  SecB_dimer_deltaN                                                                  
quantity      sequence           _dG            dG         pfact     k_obs    covariance   sequence           _dG            dG         pfact     k_obs    covariance          sequence           _dG            dG         pfact     k_obs   covariance          sequence           _dG            dG         pfact     k_obs    covariance
r_number                                                                                                                                                                                                                                                                                                                                    
11                   F  19289.726567  19289.726567  2.107054e+03  0.064948  1.065429e+03          F  19289.692588  19289.692588  2.107025e+03  0.064949  1.490392e+03                 F  19289.692588  19289.692588  2.107025e+03  0.064949  1490.392253               NaN  19289.660861           NaN           NaN       NaN           NaN
12                   Q  20640.166528  20640.166528  3.600479e+03  0.054950  9.951641e+02          Q  20639.949073  20639.949073  3.600168e+03  0.054955  1.449194e+03                 Q  20639.949073  20639.949073  3.600168e+03  0.054955  1449.194023               NaN  20639.725469           NaN           NaN       NaN           NaN
13                   I  16869.674597  16869.674597  8.066658e+02  0.054855  4.160564e+02          I  16868.808503  16868.808503  8.063886e+02  0.054874  8.112486e+02                 I  16868.808503  16868.808503  8.063886e+02  0.054874   811.248630               NaN  16867.717269           NaN           NaN       NaN           NaN
14                   Q  18959.397527  18959.397527  1.848242e+03  0.054885  4.163496e+02          Q  18958.530980  18958.530980  1.847607e+03  0.054904  8.107437e+02                 Q  18958.530980  18958.530980  1.847607e+03  0.054904   810.743681               NaN  18957.438953           NaN           NaN       NaN           NaN
15                   R  21570.572930  21570.572930  5.208012e+03  0.054915  4.161611e+02          R  21569.706234  21569.706234  5.206222e+03  0.054934  8.105778e+02                 R  21569.706234  21569.706234  5.206222e+03  0.054934   810.577831               NaN  21568.614276           NaN           NaN       NaN           NaN
16                   I  16985.890320  16985.890320  8.447300e+02  0.054855  4.161334e+02          I  16985.024178  16985.024178  8.444398e+02  0.054874  8.111945e+02                 I  16985.024178  16985.024178  8.444398e+02  0.054874   811.194492               NaN  16983.932807           NaN           NaN       NaN           NaN
17                   Y  17042.609281  17042.609281  8.639543e+02  0.054885  4.155012e+02          Y  17041.743269  17041.743269  8.636575e+02  0.054904  8.113409e+02                 Y  17041.743269  17041.743269  8.636575e+02  0.054904   811.340950               NaN  17040.652760           NaN           NaN       NaN           NaN
18                   T  19300.409287           NaN           NaN       NaN           NaN          T  19300.409287           NaN           NaN       NaN           NaN                 T  19300.409287           NaN           NaN       NaN          NaN               NaN  19300.409287           NaN           NaN       NaN           NaN
19                   K  21561.192538           NaN           NaN       NaN           NaN          K  21561.192538           NaN           NaN       NaN           NaN                 K  21561.192538           NaN           NaN       NaN          NaN               NaN  21561.192538           NaN           NaN       NaN           NaN
20                   D  21932.065544  21932.065544  6.011159e+03  0.041452  6.471445e+02          D  21923.137209  21923.137209  5.989904e+03  0.041599  8.519313e+02                 D  21923.137209  21923.137209  5.989904e+03  0.041599   851.931263               NaN  21909.874218           NaN           NaN       NaN           NaN
21                   I  15371.845708  15371.845708  4.452597e+02  0.041408  6.477944e+02          I  15362.933230  15362.933230  4.436881e+02  0.041555  8.527358e+02                 I  15362.933230  15362.933230  4.436881e+02  0.041555   852.735831               NaN  15349.696092           NaN           NaN       NaN           NaN
22                   S  20876.134982  20876.134982  3.953833e+03  0.052399  5.829853e+02          S  20868.594571  20868.594571  3.942022e+03  0.052556  7.624753e+02                 S  20868.594571  20868.594571  3.942022e+03  0.052556   762.475272               NaN  20857.645001           NaN           NaN       NaN           NaN
23                   F  20439.408604  20439.408604  3.324827e+03  0.051826  3.492232e+02          F  20425.078333  20425.078333  3.305978e+03  0.052122  4.283843e+02                 F  20425.078333  20425.078333  3.305978e+03  0.052122   428.384332               NaN  20394.601879           NaN           NaN       NaN           NaN
24                   E  19801.670378  19801.670378  2.581576e+03  0.051826  3.492388e+02          E  19787.341383  19787.341383  2.566942e+03  0.052122  4.284028e+02                 E  19787.341383  19787.341383  2.566942e+03  0.052122   428.402763               NaN  19756.867749           NaN           NaN       NaN           NaN
25                   A  18574.432445  18574.432445  1.586457e+03  0.066997  3.449234e+02          A  18563.365497  18563.365497  1.579507e+03  0.067292  4.223810e+02                 A  18563.365497  18563.365497  1.579507e+03  0.067292   422.380959               NaN  18539.956662           NaN           NaN       NaN           NaN
26                   P  19636.737443           NaN           NaN       NaN           NaN          P  19636.737443           NaN           NaN       NaN           NaN                 P  19636.737443           NaN           NaN       NaN          NaN               NaN  19636.737443           NaN           NaN       NaN           NaN
27                   N  20777.680901  20777.680901  3.802370e+03  0.070191  2.832958e+02          N  20765.312217  20765.312217  3.783757e+03  0.070536  3.428295e+02                 N  20765.312217  20765.312217  3.783757e+03  0.070536   342.829497               NaN  20736.957089           NaN           NaN       NaN           NaN
28                   A  21182.644819  21182.644819  4.465097e+03  0.070230  2.833124e+02          A  21170.279966  21170.279966  4.443246e+03  0.070575  3.428498e+02                 A  21170.279966  21170.279966  4.443246e+03  0.070575   342.849752               NaN  21141.933327           NaN           NaN       NaN           NaN
29                   P  19485.085848           NaN           NaN       NaN           NaN          P  19485.085848           NaN           NaN       NaN           NaN                 P  19485.085848           NaN           NaN       NaN          NaN               NaN  19485.085848           NaN           NaN       NaN           NaN
30                   H  17869.605519  17869.605519  1.199457e+03  0.070192  2.834176e+02          H  17857.244156  17857.244156  1.193589e+03  0.070537  3.429748e+02                 H  17857.244156  17857.244156  1.193589e+03  0.070537   342.974785               NaN  17828.906400           NaN           NaN       NaN           NaN
31                   V  16378.347819  16378.347819  6.637990e+02  0.070155  2.835362e+02          V  16365.990757  16365.990757  6.605527e+02  0.070499  3.431159e+02                 V  16365.990757  16365.990757  6.605527e+02  0.070499   343.115862               NaN  16337.663810           NaN           NaN       NaN           NaN
32                   F  17119.089774  17119.089774  8.905711e+02  0.070193  2.834793e+02          F  17106.732116  17106.732116  8.862155e+02  0.070538  3.430484e+02                 F  17106.732116  17106.732116  8.862155e+02  0.070538   343.048380               NaN  17078.403154           NaN           NaN       NaN           NaN
33                   Q  19829.885744  19829.885744  2.610637e+03  0.075777  3.172252e+02          Q  19819.595819  19819.595819  2.600001e+03  0.076087  3.970641e+02                 Q  19819.595819  19819.595819  2.600001e+03  0.076087   397.064065               NaN  19798.971615           NaN           NaN       NaN           NaN
34                   K  19441.520805  19441.520805  2.237846e+03  0.096923  3.823424e+02          K  19434.803272  19434.803272  2.231890e+03  0.097181  5.015957e+02                 K  19434.803272  19434.803272  2.231890e+03  0.097181   501.595704               NaN  19423.749867           NaN           NaN       NaN           NaN
35                   D  19548.775540  19548.775540  2.335127e+03  0.106680  4.475857e+02          D  19543.720098  19543.720098  2.330448e+03  0.106894  6.223653e+02                 D  19543.720098  19543.720098  2.330448e+03  0.106894   622.365257                 D  19536.813276  19536.813276  2.324071e+03  0.107187  1.641872e+03
36                   W  14735.636515  14735.636515  3.459336e+02  0.111283  4.592033e+02          W  14730.991099  14730.991099  3.452966e+02  0.111488  6.376672e+02                 W  14730.991099  14730.991099  3.452966e+02  0.111488   637.667170                 W  14724.617576  14724.617576  3.444246e+02  0.111769  1.675517e+03
37                   Q  17871.479852  17871.479852  1.200349e+03  0.111373  4.504145e+02          Q  17866.852509  17866.852509  1.198147e+03  0.111578  6.218833e+02                 Q  17866.852509  17866.852509  1.198147e+03  0.111578   621.883265                 Q  17860.467739  17860.467739  1.195116e+03   0.11186  1.257815e+03
38                   P  16897.611641           NaN           NaN       NaN           NaN          P  16897.611641           NaN           NaN       NaN           NaN                 P  16897.611641           NaN           NaN       NaN          NaN                 P  16897.611641           NaN           NaN       NaN           NaN
39                   E  15949.105941  15949.105941  5.598568e+02  0.119606  4.584700e+02          E  15945.067614  15945.067614  5.589606e+02  0.119797  6.347843e+02                 E  15945.067614  15945.067614  5.589606e+02  0.119797   634.784348                 E  15939.498609  15939.498609  5.577269e+02  0.120062  7.614952e+02
40                   V  13039.672158  13039.672158  1.765116e+02  0.119545  4.596819e+02          V  13035.647443  13035.647443  1.762299e+02  0.119735  6.362438e+02                 V  13035.647443  13035.647443  1.762299e+02  0.119735   636.243847                 V  13030.102532  13030.102532  1.758427e+02  0.119997  7.651196e+02
41                   K  16934.922217  16934.922217  8.278201e+02  0.119671  4.584293e+02          K  16930.883770  16930.883770  8.264948e+02  0.119863  6.347558e+02                 K  16930.883770  16930.883770  8.264948e+02  0.119863   634.755765                 K  16925.313681  16925.313681  8.246704e+02  0.120128  7.610254e+02
42                   L  14956.571023  14956.571023  3.776247e+02  0.137480  8.008174e+02          L  14955.439306  14955.439306  3.774552e+02  0.137542  1.017304e+03                 L  14955.439306  14955.439306  3.774552e+02  0.137542  1017.303662                 L  14954.300179  14954.300179  3.772846e+02  0.137604  1.097574e+03
43                   D  17524.817675  17524.817675  1.046108e+03  0.111324  9.532315e+02          D  17523.593674  17523.593674  1.045600e+03  0.111378  1.633273e+03                 D  17523.593674  17523.593674  1.045600e+03  0.111378  1633.273335                 D  17523.596503  17523.596503  1.045602e+03  0.111378  1.005339e+03
44                   L  14017.831267  14017.831267  2.602033e+02  0.099930  9.883884e+02          L  14017.832868  14017.832868  2.602035e+02  0.099930  1.097739e+03                 L  14017.832868  14017.832868  2.602035e+02   0.09993  1097.738869                 L  14017.833782  14017.833782  2.602036e+02   0.09993  9.354121e+02
45                   D  17796.048216  17796.048216  1.164959e+03  0.099976  9.453339e+02          D  17796.043624  17796.043624  1.164956e+03  0.099976  1.050406e+03                 D  17796.043624  17796.043624  1.164956e+03  0.099976  1050.406191                 D  17796.044087  17796.044087  1.164957e+03  0.099976  8.950636e+02
46                   T  17127.530497  17127.530497  8.935584e+02  0.094421  9.154566e+02          T  17127.527355  17127.527355  8.935573e+02  0.094421  1.017311e+03                 T  17127.527355  17127.527355  8.935573e+02  0.094421  1017.310714                 T  17127.528288  17127.528288  8.935576e+02  0.094421  8.680464e+02
47                   A  20381.716245  20381.716245  3.249590e+03  0.073196  8.350441e+02          A  20381.718133  20381.718133  3.249592e+03  0.073196  9.193227e+02                 A  20381.718133  20381.718133  3.249592e+03  0.073196   919.322708                 A  20381.718133  20381.718133  3.249592e+03  0.073196  8.232733e+02
48                   S  21368.605460  21368.605460  4.806981e+03  0.073196  8.350136e+02          S  21368.607358  21368.607358  4.806985e+03  0.073196  9.192925e+02                 S  21368.607358  21368.607358  4.806985e+03  0.073196   919.292515                 S  21368.607358  21368.607358  4.806985e+03  0.073196  8.232436e+02
49                   S  23108.599335  23108.599335  9.586904e+03  0.073236  8.350854e+02          S  23108.601300  23108.601300  9.586911e+03  0.073236  9.193696e+02                 S  23108.601300  23108.601300  9.586911e+03  0.073236   919.369639                 S  23108.601300  23108.601300  9.586911e+03  0.073236  8.233089e+02
50                   Q  21310.555752  21310.555752  4.697538e+03  0.073196  8.350151e+02          Q  21310.557650  21310.557650  4.697541e+03  0.073196  9.192940e+02                 Q  21310.557650  21310.557650  4.697541e+03  0.073196   919.293983                 Q  21310.557650  21310.557650  4.697541e+03  0.073196  8.232451e+02
51                   L  17014.739065  17014.739065  8.544539e+02  0.073157  8.352045e+02          L  17014.740807  17014.740807  8.544545e+02  0.073156  9.194755e+02                 L  17014.740807  17014.740807  8.544545e+02  0.073156   919.475468                 L  17014.740807  17014.740807  8.544545e+02  0.073156  8.234341e+02
52                   A  17651.834860  17651.834860  1.100176e+03  0.084061  1.006694e+03          A  17651.829540  17651.829540  1.100174e+03  0.084061  1.097208e+03                 A  17651.829540  17651.829540  1.100174e+03  0.084061  1097.208228                 A  17651.829540  17651.829540  1.100174e+03  0.084061  9.970035e+02
53                   D  19451.533969  19451.533969  2.246754e+03  0.084107  1.006699e+03          D  19451.528654  19451.528654  2.246749e+03  0.084107  1.097227e+03                 D  19451.528654  19451.528654  2.246749e+03  0.084107  1097.226786                 D  19451.528654  19451.528654  2.246749e+03  0.084107  9.970028e+02
54                   D  18408.981825  18408.981825  1.485664e+03  0.084061  1.006586e+03          D  18408.976488  18408.976488  1.485661e+03  0.084061  1.097097e+03                 D  18408.976488  18408.976488  1.485661e+03  0.084061  1097.096719                 D  18408.976488  18408.976488  1.485661e+03  0.084061  9.968950e+02
55                   V  14127.345871  14127.345871  2.717581e+02  0.072593  1.028645e+03          V  14127.342993  14127.342993  2.717578e+02  0.072594  1.107383e+03                 V  14127.342993  14127.342993  2.717578e+02  0.072594  1107.382956                 V  14127.342993  14127.342993  2.717578e+02  0.072594  1.024821e+03
56                   Y  16858.566996  16858.566996  8.031187e+02  0.072632  1.027729e+03          Y  16858.563995  16858.563995  8.031178e+02  0.072632  1.106482e+03                 Y  16858.563995  16858.563995  8.031178e+02  0.072632  1106.481965                 Y  16858.563995  16858.563995  8.031178e+02  0.072632  1.023902e+03
57                   E  19144.053743  19144.053743  1.988730e+03  0.065737  1.265953e+03          E  19144.057629  19144.057629  1.988733e+03  0.065737  1.324249e+03                 E  19144.057629  19144.057629  1.988733e+03  0.065737  1324.249252                 E  19144.057629  19144.057629  1.988733e+03  0.065737  1.259305e+03
58                   V  20545.499083           NaN           NaN       NaN           NaN          V  20545.499083           NaN           NaN       NaN           NaN                 V  20545.499083           NaN           NaN       NaN          NaN                 V  20545.499083           NaN           NaN       NaN           NaN
59                   V  21951.567851           NaN           NaN       NaN           NaN          V  21951.567851           NaN           NaN       NaN           NaN                 V  21951.567851           NaN           NaN       NaN          NaN                 V  21951.567851           NaN           NaN       NaN           NaN
60                   L  23357.636619           NaN           NaN       NaN           NaN          L  23357.636619           NaN           NaN       NaN           NaN                 L  23357.636619           NaN           NaN       NaN          NaN                 L  23357.636619           NaN           NaN       NaN           NaN
61                   R  24763.705387           NaN           NaN       NaN           NaN          R  24763.705387           NaN           NaN       NaN           NaN                 R  24763.705387           NaN           NaN       NaN          NaN                 R  24763.705387           NaN           NaN       NaN           NaN
62                   V  26169.774155           NaN           NaN       NaN           NaN          V  26169.774155           NaN           NaN       NaN           NaN                 V  26169.774155           NaN           NaN       NaN          NaN                 V  26169.774155           NaN           NaN       NaN           NaN
63                   T  28030.493111  28030.493111  6.756704e+04  0.001370  9.974702e+02          T  28027.702606  28027.702606  6.749228e+04  0.001371  1.097496e+03                 T  28027.702606  28027.702606  6.749228e+04  0.001371  1097.496170                 T  28027.702606  28027.702606  6.749228e+04  0.001371  1.097496e+03
64                   V  26351.552304  26351.552304  3.470951e+04  0.001368  9.749970e+02          V  26348.126247  26348.126247  3.466237e+04  0.001370  1.080469e+03                 V  26348.126247  26348.126247  3.466237e+04   0.00137  1080.468990                 V  26348.126247  26348.126247  3.466237e+04   0.00137  1.080469e+03
65                   T  27140.311001  27140.311001  4.746286e+04  0.001950  1.377656e+03          T  27136.672979  27136.672979  4.739441e+04  0.001953  1.397928e+03                 T  27136.672979  27136.672979  4.739441e+04  0.001953  1397.928051                 T  27136.672979  27136.672979  4.739441e+04  0.001953  1.397928e+03
66                   A  29524.054657  29524.054657  1.222024e+05  0.001947  1.134143e+03          A  29519.579928  29519.579928  1.219857e+05  0.001950  1.149487e+03                 A  29519.579928  29519.579928  1.219857e+05   0.00195  1149.487219                 A  29519.579928  29519.579928  1.219857e+05   0.00195  1.149487e+03
67                   S  24528.060531  24528.060531  1.683665e+04  0.020901  1.316708e+03          S  24528.601879  24528.601879  1.684026e+04  0.020897  1.815112e+03                 S  24528.601879  24528.601879  1.684026e+04  0.020897  1815.111677                 S  24528.601879  24528.601879  1.684026e+04  0.020897  1.815112e+03
68                   L  20759.567745  20759.567745  3.775143e+03  0.020864  8.609340e+02          L  20760.071952  20760.071952  3.775899e+03  0.020860  1.033606e+03                 L  20760.071952  20760.071952  3.775899e+03   0.02086  1033.606414                 L  20760.071952  20760.071952  3.775899e+03   0.02086  1.033606e+03
69                   G  18969.595799  18969.595799  1.855736e+03  0.046526  7.044597e+02          G  18970.364114  18970.364114  1.856301e+03  0.046512  7.597696e+02                 G  18970.364114  18970.364114  1.856301e+03  0.046512   759.769576                 G  18970.364114  18970.364114  1.856301e+03  0.046512  7.597696e+02
70                   E  20709.519197  20709.519197  3.700922e+03  0.046578  7.042789e+02          E  20710.288271  20710.288271  3.702051e+03  0.046563  7.595060e+02                 E  20710.288271  20710.288271  3.702051e+03  0.046563   759.505994                 E  20710.288271  20710.288271  3.702051e+03  0.046563  7.595060e+02
71                   E  18854.758489  18854.758489  1.773084e+03  0.046552  7.044541e+02          E  18855.526842  18855.526842  1.773625e+03  0.046538  7.597110e+02                 E  18855.526842  18855.526842  1.773625e+03  0.046538   759.711026                 E  18855.526842  18855.526842  1.773625e+03  0.046538  7.597110e+02
72                   T  18834.020331  18834.020331  1.758555e+03  0.051446  7.381672e+02          T  18834.020455  18834.020455  1.758556e+03  0.051446  7.527960e+02                 T  18834.020455  18834.020455  1.758556e+03  0.051446   752.795975                 T  18834.020455  18834.020455  1.758556e+03  0.051446  7.527960e+02
73                   A  21267.914446  21267.914446  4.618735e+03  0.051503  7.380004e+02          A  21267.914945  21267.914945  4.618736e+03  0.051503  7.526063e+02                 A  21267.914945  21267.914945  4.618736e+03  0.051503   752.606338                 A  21267.914945  21267.914945  4.618736e+03  0.051503  7.526063e+02
74                   F  18714.698590  18714.698590  1.677245e+03  0.051475  7.381948e+02          F  18714.698645  18714.698645  1.677245e+03  0.051475  7.528033e+02                 F  18714.698645  18714.698645  1.677245e+03  0.051475   752.803274                 F  18714.698645  18714.698645  1.677245e+03  0.051475  7.528033e+02
75                   L  17470.856560  17470.856560  1.023951e+03  0.044233  9.439893e+02          L  17470.861129  17470.861129  1.023952e+03  0.044233  9.658510e+02                 L  17470.861129  17470.861129  1.023952e+03  0.044233   965.850988                 L  17470.861129  17470.861129  1.023952e+03  0.044233  9.658510e+02
76                   C  36800.920575           NaN           NaN       NaN           NaN          C  36800.920575           NaN           NaN       NaN           NaN                 C  36800.920575           NaN           NaN       NaN          NaN                 C  36800.920575           NaN           NaN       NaN           NaN
77                   E  36941.314088  36941.314088  2.317902e+06  0.000178  1.543025e+04          E  36937.980769  36937.980769  2.314839e+06  0.000179  6.770122e+03                 E  36937.980769  36937.980769  2.314839e+06  0.000179  6770.122278                 E  36937.980769  36937.980769  2.314839e+06  0.000179  6.770122e+03
78                   V  29459.763236  29459.763236  1.191248e+05  0.000178  5.421601e+03          V  29452.410622  29452.410622  1.187778e+05  0.000179  3.771217e+03                 V  29452.410622  29452.410622  1.187778e+05  0.000179  3771.216747                 V  29452.410622  29452.410622  1.187778e+05  0.000179  3.771217e+03
79                   Q  33785.535173  33785.535173  6.627431e+05  0.000188  3.813833e+03          Q  33778.180158  33778.180158  6.608120e+05  0.000189  5.045159e+03                 Q  33778.180158  33778.180158  6.608120e+05  0.000189  5045.158682                 Q  33778.180158  33778.180158  6.608120e+05  0.000189  5.045159e+03
80                   Q  35758.406538  35758.406538  1.449695e+06  0.000188  3.213775e+03          Q  35748.181931  35748.181931  1.443826e+06  0.000189  3.115183e+03                 Q  35748.181931  35748.181931  1.443826e+06  0.000189  3115.183213                 Q  35748.181931  35748.181931  1.443826e+06  0.000189  3.115183e+03
81                   G  35237.455790  35237.455790  1.179004e+06  0.000188  3.221582e+03          G  35227.231110  35227.231110  1.174231e+06  0.000189  3.107735e+03                 G  35227.231110  35227.231110  1.174231e+06  0.000189  3107.734643                 G  35227.231110  35227.231110  1.174231e+06  0.000189  3.107735e+03
82                   G  35063.343638  35063.343638  1.100311e+06  0.000188  3.221582e+03          G  35053.118959  35053.118959  1.095856e+06  0.000189  3.107736e+03                 G  35053.118959  35053.118959  1.095856e+06  0.000189  3107.735952                 G  35053.118959  35053.118959  1.095856e+06  0.000189  3.107736e+03
83                   I  31002.106764  31002.106764  2.196608e+05  0.000188  3.229407e+03          I  30991.882053  30991.882053  2.187715e+05  0.000189  3.100418e+03                 I  30991.882053  30991.882053  2.187715e+05  0.000189  3100.417899                 I  30991.882053  30991.882053  2.187715e+05  0.000189  3.100418e+03
84                   F  31521.673616  31521.673616  2.699450e+05  0.000188  3.213750e+03          F  31511.449045  31511.449045  2.688522e+05  0.000189  3.115249e+03                 F  31511.449045  31511.449045  2.688522e+05  0.000189  3115.248657                 F  31511.449045  31511.449045  2.688522e+05  0.000189  3.115249e+03
85                   S  22991.951206           NaN           NaN       NaN           NaN          S  22991.951206           NaN           NaN       NaN           NaN                 S  22991.951206           NaN           NaN       NaN          NaN                 S  22991.951206           NaN           NaN       NaN           NaN
86                   I  14465.776978           NaN           NaN       NaN           NaN          I  14465.776978           NaN           NaN       NaN           NaN                 I  14465.776978           NaN           NaN       NaN          NaN                 I  14465.776978           NaN           NaN       NaN           NaN
87                   A  15629.005754  15629.005754  4.930862e+02  0.178915  1.217977e+03          A  15629.000727  15629.000727  4.930852e+02  0.178915  1.986067e+03                 A  15629.000727  15629.000727  4.930852e+02  0.178915  1986.067086                 A  15629.000727  15629.000727  4.930852e+02  0.178915  1.986067e+03
88                   G  16790.254005  16790.254005  7.816444e+02  0.179013  1.217611e+03          G  16790.248661  16790.248661  7.816428e+02  0.179014  1.985464e+03                 G  16790.248661  16790.248661  7.816428e+02  0.179014  1985.464215                 G  16790.248661  16790.248661  7.816428e+02  0.179014  1.985464e+03
89                   I  13709.331213  13709.331213  2.302276e+02  0.178817  1.220356e+03          I  13709.326886  13709.326886  2.302272e+02  0.178818  1.989591e+03                 I  13709.326886  13709.326886  2.302272e+02  0.178818  1989.590932                 I  13709.326886  13709.326886  2.302272e+02  0.178818  1.989591e+03
90                   E  14990.020901  14990.020901  3.826695e+02  0.178915  1.218729e+03          E  14990.016339  14990.016339  3.826688e+02  0.178915  1.987158e+03                 E  14990.016339  14990.016339  3.826688e+02  0.178915  1987.157948                 E  14990.016339  14990.016339  3.826688e+02  0.178915  1.987158e+03
91                   G  15921.541815  15921.541815  5.537677e+02  0.178915  1.217691e+03          G  15921.536613  15921.536613  5.537666e+02  0.178915  1.985653e+03                 G  15921.536613  15921.536613  5.537666e+02  0.178915  1985.652693                 G  15921.536613  15921.536613  5.537666e+02  0.178915  1.985653e+03
92                   T  17546.959602  17546.959602  1.055339e+03  0.178915  1.216588e+03          T  17546.953716  17546.953716  1.055336e+03  0.178915  1.984052e+03                 T  17546.953716  17546.953716  1.055336e+03  0.178915  1984.051714                 T  17546.953716  17546.953716  1.055336e+03  0.178915  1.984052e+03
93                   Q  18474.907619  18474.907619  1.525035e+03  0.179013  1.216809e+03          Q  18474.901779  18474.901779  1.525032e+03  0.179014  1.984301e+03                 Q  18474.901779  18474.901779  1.525032e+03  0.179014  1984.301168                 Q  18474.901779  18474.901779  1.525032e+03  0.179014  1.984301e+03
94                   M  17848.284507  17848.284507  1.189353e+03  0.195332  2.303382e+03          M  17848.287188           NaN           NaN       NaN           NaN                 M  17848.287188           NaN           NaN       NaN          NaN                 M  17848.287188           NaN           NaN       NaN           NaN
95                   A  20655.080882           NaN           NaN       NaN           NaN          A  20655.080882           NaN           NaN       NaN           NaN                 A  20655.080882           NaN           NaN       NaN          NaN                 A  20655.080882           NaN           NaN       NaN           NaN
96                   H  23463.426486           NaN           NaN       NaN           NaN          H  23463.426486           NaN           NaN       NaN           NaN                 H  23463.426486           NaN           NaN       NaN          NaN                 H  23463.426486           NaN           NaN       NaN           NaN
97                   C  26271.772090           NaN           NaN       NaN           NaN          C  26271.772090           NaN           NaN       NaN           NaN                 C  26271.772090           NaN           NaN       NaN          NaN                 C  26271.772090           NaN           NaN       NaN           NaN
98                   L  29080.117695           NaN           NaN       NaN           NaN          L  29080.117695           NaN           NaN       NaN           NaN                 L  29080.117695           NaN           NaN       NaN          NaN                 L  29080.117695           NaN           NaN       NaN           NaN
99                   G  31888.463299           NaN           NaN       NaN           NaN          G  31888.463299           NaN           NaN       NaN           NaN                 G  31888.463299           NaN           NaN       NaN          NaN                 G  31888.463299           NaN           NaN       NaN           NaN
100                  A  34695.423487           NaN           NaN       NaN           NaN          A  34695.423487           NaN           NaN       NaN           NaN                 A  34695.423487           NaN           NaN       NaN          NaN                 A  34695.423487           NaN           NaN       NaN           NaN
101                  Y  32146.325366  32146.325366  3.458634e+05  0.000233  1.527588e+03          Y  32128.524683  32128.524683  3.434295e+05  0.000235  9.861764e+02                 Y  32128.524683  32128.524683  3.434295e+05  0.000235   986.176435                 Y  32128.524683  32128.524683  3.434295e+05  0.000235  9.861764e+02
102                  C  38007.665402  38007.665402  3.538592e+06  0.000198  1.977798e+03          C  37990.182011  37990.182011  3.514132e+06  0.000200  9.289889e+02                 C  37990.182011  37990.182011  3.514132e+06    0.0002   928.988929                 C  37990.182011  37990.182011  3.514132e+06    0.0002  9.289889e+02
103                  P  36788.066605           NaN           NaN       NaN           NaN          P  36788.066605           NaN           NaN       NaN           NaN                 P  36788.066605           NaN           NaN       NaN          NaN                 P  36788.066605           NaN           NaN       NaN           NaN
104                  N  35573.777990  35573.777990  1.347301e+06  0.000198  1.667568e+03          N  35552.541567  35552.541567  1.335997e+06  0.000200  8.643328e+02                 N  35552.541567  35552.541567  1.335997e+06    0.0002   864.332803                 N  35552.541567  35552.541567  1.335997e+06    0.0002  8.643328e+02
105                  I  31743.307311  31743.307311  2.947566e+05  0.000198  1.667567e+03          I  31722.070948  31722.070948  2.922836e+05  0.000200  8.643372e+02                 I  31722.070948  31722.070948  2.922836e+05    0.0002   864.337155                 I  31722.070948  31722.070948  2.922836e+05    0.0002  8.643372e+02
106                  L  29423.187133  29423.187133  1.174086e+05  0.000198  1.669508e+03          L  29401.951617  29401.951617  1.164236e+05  0.000200  8.642012e+02                 L  29401.951617  29401.951617  1.164236e+05    0.0002   864.201168                 L  29401.951617  29401.951617  1.164236e+05    0.0002  8.642012e+02
107                  F  31646.248402  31646.248402  2.836220e+05  0.000188  1.836976e+03          F  31627.133945  31627.133945  2.814793e+05  0.000189  9.622830e+02                 F  31627.133945  31627.133945  2.814793e+05  0.000189   962.282999                 F  31627.133945  31627.133945  2.814793e+05  0.000189  9.622830e+02
108                  P  32528.570769           NaN           NaN       NaN           NaN          P  32528.570769           NaN           NaN       NaN           NaN                 P  32528.570769           NaN           NaN       NaN          NaN                 P  32528.570769           NaN           NaN       NaN           NaN
109                  Y  33417.780890  33417.780890  5.727698e+05  0.000081  1.682183e+03          A  33405.290961  33405.290961  5.699386e+05  0.000152  1.132831e+03                 A  33405.290961  33405.290961  5.699386e+05  0.000152  1132.831160                 A  33405.290961  33405.290961  5.699386e+05  0.000152  1.132831e+03
110                  A  34304.746939  34304.746939  8.143422e+05  0.000207  1.938929e+03          A  34291.173712  34291.173712  8.099687e+05  0.000185  1.226602e+03                 A  34291.173712  34291.173712  8.099687e+05  0.000185  1226.601886                 A  34291.173712  34291.173712  8.099687e+05  0.000185  1.226602e+03
111                  R  35191.676735  35191.676735  1.157784e+06  0.000156  7.727672e+03          R  35178.437970  35178.437970  1.151719e+06  0.000157  1.144961e+03                 R  35178.437970  35178.437970  1.151719e+06  0.000157  1144.961110                 R  35178.437970  35178.437970  1.151719e+06  0.000157  1.144961e+03
112                  E  36078.213533  36078.213533  1.645812e+06  0.000118  1.946502e+03          E  36066.307991  36066.307991  1.638057e+06  0.000118  1.076167e+03                 E  36066.307991  36066.307991  1.638057e+06  0.000118  1076.166628                 E  36066.307991  36066.307991  1.638057e+06  0.000118  1.076167e+03
113                  C  36961.313513  36961.313513  2.336367e+06  0.000190  3.970831e+03          C  36954.577710  36954.577710  2.330131e+06  0.000190  1.822257e+03                 C  36954.577710  36954.577710  2.330131e+06   0.00019  1822.256519                 C  36954.577710  36954.577710  2.330131e+06   0.00019  1.822257e+03
114                  I  33718.249622           NaN           NaN       NaN           NaN          I  33718.249622           NaN           NaN       NaN           NaN                 I  33718.249622           NaN           NaN       NaN          NaN                 I  33718.249622           NaN           NaN       NaN           NaN
115                  T  30476.109401           NaN           NaN       NaN           NaN          A  30476.109401           NaN           NaN       NaN           NaN                 A  30476.109401           NaN           NaN       NaN          NaN                 A  30476.109401           NaN           NaN       NaN           NaN
116                  S  35528.589321  35528.589321  1.323362e+06  0.000421  1.939984e+03          S  35526.514726  35526.514726  1.322273e+06  0.000266  1.890091e+03                 S  35526.514632  35526.514632  1.322273e+06  0.000266  1883.486932                 S  35526.514726  35526.514726  1.322273e+06  0.000266  1.890091e+03
117                  M  33502.416514  33502.416514  5.923291e+05  0.000494  2.128414e+03          M  33498.833775  33498.833775  5.914878e+05  0.000495  1.368120e+03                 M  33498.833617  33498.833617  5.914877e+05  0.000495  1362.321334                 M  33498.833775  33498.833775  5.914878e+05  0.000495  1.368120e+03
118                  V  27625.086906  27625.086906  5.752839e+04  0.000671  1.294107e+04          V  27618.836422  27618.836422  5.738591e+04  0.000672  1.353696e+03                 V  27618.836125  27618.836125  5.738590e+04  0.000672  1338.330288                 V  27618.836422  27618.836422  5.738591e+04  0.000672  1.353696e+03
119                  S  28709.519181  28709.519181  8.845717e+04  0.002882  9.761883e+02          A  28698.862297  28698.862297  8.808396e+04  0.001235  1.424522e+03                 A  28698.861730  28698.861730  8.808394e+04  0.001235  1369.124033                 A  28698.862297  28698.862297  8.808396e+04  0.001235  1.424522e+03
120                  R  29582.197083  29582.197083  1.250541e+05  0.002880  1.291797e+03          R  29563.822046  29563.822046  1.241458e+05  0.001454  8.875254e+02                 R  29563.666430  29563.666430  1.241381e+05  0.001454   933.080778                 R  29563.822046  29563.822046  1.241458e+05  0.001454  8.875254e+02
121                  G  28480.864921  28480.864921  8.078584e+04  0.002878  1.292939e+03          G  28457.894528  28457.894528  8.005296e+04  0.002904  7.816914e+02                 G  28458.264572  28458.264572  8.006471e+04  0.002904   851.020423                 G  28457.894528  28457.894528  8.005296e+04  0.002904  7.816914e+02
122                  T  27958.521668  27958.521668  6.566501e+04  0.002878  1.292939e+03          T  27935.551345  27935.551345  6.506930e+04  0.002904  7.816949e+02                 T  27935.921388  27935.921388  6.507885e+04  0.002904   851.024444                 T  27935.551345  27935.551345  6.506930e+04  0.002904  7.816949e+02
123                  F  27145.984259  27145.984259  4.756981e+04  0.002878  1.292938e+03          F  27123.014078  27123.014078  4.713827e+04  0.002904  7.817021e+02                 F  27123.384118  27123.384118  4.714519e+04  0.002904   851.032618                 F  27123.014078  27123.014078  4.713827e+04  0.002904  7.817021e+02
124                  P  26727.569331           NaN           NaN       NaN           NaN          P  26727.569331           NaN           NaN       NaN           NaN                 P  26727.569331           NaN           NaN       NaN          NaN                 P  26727.569331           NaN           NaN       NaN           NaN
125                  Q  26333.441240  26333.441240  3.446101e+04  0.002878  1.292938e+03          Q  26310.471255  26310.471255  3.414838e+04  0.002904  7.817119e+02                 Q  26310.841293  26310.841293  3.415340e+04  0.002904   851.043902                 Q  26310.471255  26310.471255  3.414838e+04  0.002904  7.817119e+02
126                  L  24839.568723  24839.568723  1.905151e+04  0.003285  1.001716e+03          L  24820.377404  24820.377404  1.890700e+04  0.003310  8.364936e+02                 L  24820.908319  24820.908319  1.891099e+04  0.003309   927.867997                 L  24820.377404  24820.377404  1.890700e+04   0.00331  8.364936e+02
127                  N  20551.449936  20551.449936  3.475955e+03  0.082272  1.684335e+03          N  20551.479870  20551.479870  3.475996e+03  0.082271  1.578198e+03                 N  20552.563363  20552.563363  3.477491e+03  0.082235  2351.766687                 N  20551.479870  20551.479870  3.475996e+03  0.082271  1.578198e+03
128                  L  15898.423489  15898.423489  5.487118e+02  0.150077  1.436822e+03          L  15898.603473  15898.603473  5.487509e+02  0.150066  1.458307e+03                 L  15898.985147  15898.985147  5.488340e+02  0.150044  2173.490516                 L  15898.603473  15898.603473  5.487509e+02  0.150066  1.458307e+03
129                  A  15850.908569  15850.908569  5.384648e+02  0.171588  2.004481e+03          A  15850.769650  15850.769650  5.384351e+02  0.171597  1.380381e+03                 A  15851.178963  15851.178963  5.385226e+02  0.171569  2121.668450                 A  15850.769650  15850.769650  5.384351e+02  0.171597  1.380381e+03
130                  P  13724.538434           NaN           NaN       NaN           NaN          P  13724.538434           NaN           NaN       NaN           NaN                 P  13724.538434           NaN           NaN       NaN          NaN                 P  13724.538434           NaN           NaN       NaN           NaN
131                  V  11595.064076  11595.064076  9.950915e+01  0.171492  2.012449e+03          V  11594.929909  11594.929909  9.950385e+01  0.171501  1.386083e+03                 V  11595.325225  11595.325225  9.951946e+01  0.171474  2130.385952                 V  11594.929909  11594.929909  9.950385e+01  0.171501  1.386083e+03
132                  N  19102.998401  19102.998401  1.956599e+03  0.171682  2.002769e+03          N  19102.857892  19102.857892  1.956490e+03  0.171692  1.379315e+03                 N  19103.269177  19103.269177  1.956809e+03  0.171664  2120.071156                 N  19102.857892  19102.857892  1.956490e+03  0.171692  1.379315e+03
133                  F  17536.266998  17536.266998  1.050871e+03  0.171588  2.003650e+03          F  17536.126736  17536.126736  1.050813e+03  0.171598  1.379766e+03                 F  17536.537656  17536.537656  1.050984e+03   0.17157  2120.723019                 F  17536.126736  17536.126736  1.050813e+03  0.171598  1.379766e+03
134                  D  16123.961294           NaN           NaN       NaN           NaN          D  16123.961294           NaN           NaN       NaN           NaN               NaN  16123.961294           NaN           NaN       NaN          NaN                 D  16123.961294           NaN           NaN       NaN           NaN
135                  A  14709.400493           NaN           NaN       NaN           NaN          A  14709.400493           NaN           NaN       NaN           NaN               NaN  14709.400493           NaN           NaN       NaN          NaN                 A  14709.400493           NaN           NaN       NaN           NaN
136                  L  13294.839691           NaN           NaN       NaN           NaN          L  13294.839691           NaN           NaN       NaN           NaN               NaN  13294.839691           NaN           NaN       NaN          NaN                 L  13294.839691           NaN           NaN       NaN           NaN
137                  F  11880.278890           NaN           NaN       NaN           NaN          F  11880.278890           NaN           NaN       NaN           NaN               NaN  11880.278890           NaN           NaN       NaN          NaN                 F  11880.278890           NaN           NaN       NaN           NaN
138                  M  10467.103505           NaN           NaN       NaN           NaN          M  10467.103505           NaN           NaN       NaN           NaN               NaN  10467.103505           NaN           NaN       NaN          NaN                 M  10467.103505           NaN           NaN       NaN           NaN
139                  N  17469.370127  17469.370127  1.023347e+03  0.583448  3.113514e+03          N  17469.371769  17469.371769  1.023348e+03  0.583448  6.478362e+03               NaN  17469.371054           NaN           NaN       NaN          NaN                 N  17469.371769  17469.371769  1.023348e+03  0.583448  6.478362e+03
140                  Y  14382.633311  14382.633311  3.007248e+02  0.558263  2.265492e+03          Y  14382.631254  14382.631254  3.007246e+02  0.558263  3.102397e+03               NaN  14382.631302           NaN           NaN       NaN          NaN                 Y  14382.631254  14382.631254  3.007246e+02  0.558263  3.102397e+03
141                  L  10896.368227  10896.368227  7.541812e+01  0.579767  2.244192e+03          L  10896.365567  10896.365567  7.541804e+01  0.579767  2.879435e+03               NaN  10896.365293           NaN           NaN       NaN          NaN                 L  10896.365567  10896.365567  7.541804e+01  0.579767  2.879435e+03
142                  Q  12215.183214  12215.183214  1.272657e+02  0.828589  4.966040e+03          Q  12215.183744  12215.183744  1.272657e+02  0.828589  6.313483e+03               NaN  12215.184579           NaN           NaN       NaN          NaN                 Q  12215.183744  12215.183744  1.272657e+02  0.828589  6.313483e+03
143                  Q  14606.097659  14606.097659  3.286040e+02  0.828814  4.409949e+03          Q  14606.095082  14606.095082  3.286036e+02  0.828815  5.866341e+03               NaN  14606.098712           NaN           NaN       NaN          NaN                 Q  14606.095082  14606.095082  3.286036e+02  0.828815  5.866341e+03
144                  Q  14606.097659  14606.097659  3.286040e+02  0.828814  4.409949e+03          Q  14606.095082  14606.095082  3.286036e+02  0.828815  5.866341e+03               NaN  14606.098712           NaN           NaN       NaN          NaN                 Q  14606.095082  14606.095082  3.286036e+02  0.828815  5.866341e+03
145                  A  14257.430038  14257.430038  2.861517e+02  0.828587  4.408073e+03          A  14257.427451  14257.427451  2.861514e+02  0.828588  5.863846e+03               NaN  14257.431069           NaN           NaN       NaN          NaN                 A  14257.427451  14257.427451  2.861514e+02  0.828588  5.863846e+03
146                  G  12917.796530  12917.796530  1.681797e+02  0.828135  4.410681e+03          G  12917.798549  12917.798549  1.681799e+02  0.828135  5.867284e+03               NaN  12917.797550           NaN           NaN       NaN          NaN                 G  12917.798549  12917.798549  1.681799e+02  0.828135  5.867284e+03
147                  E  13441.072169  13441.072169  2.069834e+02  0.829041  4.420991e+03          E  13441.069640  13441.069640  2.069832e+02  0.829041  5.881029e+03               NaN  13441.072902           NaN           NaN       NaN          NaN                 E  13441.069640  13441.069640  2.069832e+02  0.829041  5.881029e+03
148                  G  12042.847517  12042.847517  1.188550e+02  0.828136  4.420773e+03          G  12042.849579  12042.849579  1.188551e+02  0.828136  5.880708e+03               NaN  12042.848636           NaN           NaN       NaN          NaN                 G  12042.849579  12042.849579  1.188551e+02  0.828136  5.880708e+03
149                  T  13673.389413  13673.389413  2.269679e+02  0.829041  4.419251e+03          T  13673.386877  13673.386877  2.269677e+02  0.829042  5.878715e+03               NaN  13673.390560           NaN           NaN       NaN          NaN                 T  13673.386877  13673.386877  2.269677e+02  0.829042  5.878715e+03
150                  E  13617.381791  13617.381791  2.219802e+02  0.828587  4.412206e+03          E  13617.379222  13617.379222  2.219800e+02  0.828588  5.869344e+03               NaN  13617.382863           NaN           NaN       NaN          NaN                 E  13617.379222  13617.379222  2.219800e+02  0.828588  5.869344e+03
151                  E  11573.775691  11573.775691  9.867223e+01  0.828588  4.435239e+03          E  11573.777818  11573.777818  9.867232e+01  0.828587  5.899950e+03               NaN  11573.776959           NaN           NaN       NaN          NaN                 E  11573.777818  11573.777818  9.867232e+01  0.828587  5.899950e+03
152                  H   6097.238085   6097.238085  1.123496e+01  8.478941  2.246954e+19          H   6097.238085   6097.238085  1.123496e+01  8.478941  2.870569e+19               NaN   6097.238085           NaN           NaN       NaN          NaN                 H   6097.238085   6097.238085  1.123496e+01  8.478941  2.870569e+19
153                  Q   8625.733625   8625.733625  3.063648e+01  8.483221  2.176463e+19          Q   8625.733625   8625.733625  3.063648e+01  8.483221  2.780515e+19               NaN   8625.733625           NaN           NaN       NaN          NaN                 Q   8625.733625   8625.733625  3.063648e+01  8.483221  2.780515e+19
154                  D   8911.891245   8911.891245  3.431979e+01  8.483232  2.169245e+19          D   8911.891245   8911.891245  3.431979e+01  8.483232  2.771294e+19               NaN   8911.891245           NaN           NaN       NaN          NaN                 D   8911.891245   8911.891245  3.431979e+01  8.483232  2.771294e+19
155                  A   8920.741864   8920.741864  3.444051e+01  0.044379  1.511803e+03          A   8920.019482   8920.019482  3.443064e+01  0.044391  1.612194e+03               NaN   8912.232205           NaN           NaN       NaN          NaN                 A   8920.019482   8920.019482  3.443064e+01  0.044391  1.612194e+03