PyHDX v0.4.1+101.gdc82a4a.dirty 
2022/10/12 17:44:16 (1665589456) 

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: 3.880036810135595
mse_loss: 3.6510868571099304
reg_loss: 0.22894995302566468
regularization_percentage: 5.900716004229444
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  19289.325785  19289.325785  2.106719e+03  0.064959  1.443674e+03          F  19289.325061  19289.325061  2.106718e+03  0.064959  1.762253e+03                 F  19289.325061  19289.325061  2.106718e+03  0.064959  1762.252683               NaN  19289.326641           NaN           NaN       NaN           NaN
12                   Q  20639.540886  20639.540886  3.599585e+03  0.054964  1.397754e+03          Q  20639.542707  20639.542707  3.599588e+03  0.054964  1.715049e+03                 Q  20639.542707  20639.542707  3.599588e+03  0.054964  1715.048905               NaN  20639.538414           NaN           NaN       NaN           NaN
13                   I  16868.616811  16868.616811  8.063273e+02  0.054878  7.476594e+02          I  16868.066451  16868.066451  8.061513e+02  0.054890  1.070984e+03                 I  16868.066451  16868.066451  8.061513e+02   0.05489  1070.984098               NaN  16867.511350           NaN           NaN       NaN           NaN
14                   Q  18958.339269  18958.339269  1.847467e+03  0.054908  7.471725e+02          Q  18957.788406  18957.788406  1.847063e+03  0.054920  1.070392e+03                 Q  18957.788406  18957.788406  1.847063e+03   0.05492  1070.391768               NaN  18957.233034           NaN           NaN       NaN           NaN
15                   R  21569.514499  21569.514499  5.205826e+03  0.054938  7.470300e+02          R  21568.963469  21568.963469  5.204688e+03  0.054950  1.070147e+03                 R  21568.963469  21568.963469  5.204688e+03   0.05495  1070.146554               NaN  21568.408356           NaN           NaN       NaN           NaN
16                   I  16984.832486  16984.832486  8.443756e+02  0.054878  7.476044e+02          I  16984.282073  16984.282073  8.441912e+02  0.054890  1.070929e+03                 I  16984.282073  16984.282073  8.441912e+02   0.05489  1070.928681               NaN  16983.726887           NaN           NaN       NaN           NaN
17                   Y  17041.551549  17041.551549  8.635918e+02  0.054908  7.477791e+02          Y  17041.001280  17041.001280  8.634033e+02  0.054920  1.071003e+03                 Y  17041.001280  17041.001280  8.634033e+02   0.05492  1071.003340               NaN  17040.446841           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  21927.721926  21927.721926  6.000809e+03  0.041524  7.267141e+02          D  21920.305387  21920.305387  5.983178e+03  0.041646  1.013575e+03                 D  21920.305387  21920.305387  5.983178e+03  0.041646  1013.574527               NaN  21909.874218           NaN           NaN       NaN           NaN
21                   I  15367.510282  15367.510282  4.444945e+02  0.041479  7.274609e+02          I  15360.106713  15360.106713  4.431908e+02  0.041601  1.014500e+03                 I  15360.106713  15360.106713  4.431908e+02  0.041601  1014.500209               NaN  15349.696092           NaN           NaN       NaN           NaN
22                   S  20872.245391  20872.245391  3.947736e+03  0.052480  6.506192e+02          S  20866.073657  20866.073657  3.938082e+03  0.052608  8.933683e+02                 S  20866.073657  20866.073657  3.938082e+03  0.052608   893.368293               NaN  20857.645001           NaN           NaN       NaN           NaN
23                   F  20429.145887  20429.145887  3.311317e+03  0.052038  4.052056e+02          F  20417.659809  20417.659809  3.296262e+03  0.052275  5.169359e+02                 F  20417.659809  20417.659809  3.296262e+03  0.052275   516.935861               NaN  20394.601879           NaN           NaN       NaN           NaN
24                   E  19791.408571  19791.408571  2.571087e+03  0.052038  4.052224e+02          E  19779.923516  19779.923516  2.559399e+03  0.052275  5.169550e+02                 E  19779.923516  19779.923516  2.559399e+03  0.052275   516.955012               NaN  19756.867748           NaN           NaN       NaN           NaN
25                   A  18565.646759  18565.646759  1.580937e+03  0.067231  3.981978e+02          A  18557.049664  18557.049664  1.575554e+03  0.067460  5.031897e+02                 A  18557.049664  18557.049664  1.575554e+03   0.06746   503.189679               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  20764.904659  20764.904659  3.783145e+03  0.070548  3.410291e+02          N  20756.048875  20756.048875  3.769877e+03  0.070796  4.203319e+02                 N  20756.048875  20756.048875  3.769877e+03  0.070796   420.331914               NaN  20736.957089           NaN           NaN       NaN           NaN
28                   A  21169.870487  21169.870487  4.442524e+03  0.070587  3.410497e+02          A  21161.018066  21161.018066  4.426949e+03  0.070835  4.203510e+02                 A  21161.018066  21161.018066  4.426949e+03  0.070835   420.351016               NaN  21141.933327           NaN           NaN       NaN           NaN
29                   P  19485.085847           NaN           NaN       NaN           NaN          P  19485.085847           NaN           NaN       NaN           NaN                 P  19485.085847           NaN           NaN       NaN          NaN               NaN  19485.085847           NaN           NaN       NaN           NaN
30                   H  17856.836789  17856.836789  1.193396e+03  0.070548  3.411684e+02          H  17847.986237  17847.986237  1.189213e+03  0.070796  4.204988e+02                 H  17847.986237  17847.986237  1.189213e+03  0.070796   420.498825               NaN  17828.906400           NaN           NaN       NaN           NaN
31                   V  16365.585518  16365.585518  6.604465e+02  0.070511  3.413025e+02          V  16356.737419  16356.737419  6.581321e+02  0.070758  4.206651e+02                 V  16356.737419  16356.737419  6.581321e+02  0.070758   420.665059               NaN  16337.663810           NaN           NaN       NaN           NaN
32                   F  17106.324846  17106.324846  8.860723e+02  0.070549  3.412389e+02          F  17097.476943  17097.476943  8.829673e+02  0.070797  4.205834e+02                 F  17097.476943  17097.476943  8.829673e+02  0.070797   420.583375               NaN  17078.403154           NaN           NaN       NaN           NaN
33                   Q  19819.065839  19819.065839  2.599455e+03  0.076103  3.766996e+02          Q  19812.215893  19812.215893  2.592400e+03  0.076310  4.707018e+02                 Q  19812.215893  19812.215893  2.592400e+03   0.07631   470.701760               NaN  19798.971614           NaN           NaN       NaN           NaN
34                   K  19433.490777  19433.490777  2.230728e+03  0.097232  4.558881e+02          K  19429.690478  19429.690478  2.227367e+03  0.097378  5.937387e+02                 K  19429.690478  19429.690478  2.227367e+03  0.097378   593.738744               NaN  19423.749866           NaN           NaN       NaN           NaN
35                   D  19542.319571  19542.319571  2.329153e+03  0.106953  5.349091e+02          D  19540.042829  19540.042829  2.327050e+03  0.107050  7.558763e+02                 D  19540.042829  19540.042829  2.327050e+03   0.10705   755.876288                 D  19536.333006  19536.333006  2.323628e+03  0.107208  1.906659e+03
36                   W  14729.417438  14729.417438  3.450811e+02  0.111557  5.517596e+02          W  14727.449013  14727.449013  3.448117e+02  0.111644  7.788047e+02                 W  14727.449013  14727.449013  3.448117e+02  0.111644   778.804685                 W  14724.153852  14724.153852  3.443612e+02   0.11179  1.953748e+03
37                   Q  17865.025909  17865.025909  1.197279e+03  0.111658  5.428321e+02          Q  17863.083206  17863.083206  1.196357e+03  0.111744  7.677868e+02                 Q  17863.083206  17863.083206  1.196357e+03  0.111744   767.786809                 Q  17859.782611  17859.782611  1.194791e+03  0.111891  1.488986e+03
38                   P  16897.611640           NaN           NaN       NaN           NaN          P  16897.611640           NaN           NaN       NaN           NaN                 P  16897.611640           NaN           NaN       NaN          NaN                 P  16897.611640           NaN           NaN       NaN           NaN
39                   E  15942.541276  15942.541276  5.584006e+02  0.119917  5.632984e+02          E  15941.026467  15941.026467  5.580651e+02  0.119989  8.093400e+02                 E  15941.026467  15941.026467  5.580651e+02  0.119989   809.339964                 E  15938.358277  15938.358277  5.574747e+02  0.120116  1.164749e+03
40                   V  13033.131627  13033.131627  1.760541e+02  0.119854  5.648410e+02          V  13031.621112  13031.621112  1.759486e+02  0.119925  8.112446e+02                 V  13031.621112  13031.621112  1.759486e+02  0.119925   811.244567                 V  13028.966377  13028.966377  1.757634e+02  0.120051  1.168611e+03
41                   K  16928.355234  16928.355234  8.256661e+02  0.119983  5.632878e+02          K  16926.841202  16926.841202  8.251703e+02  0.120055  8.093739e+02                 K  16926.841202  16926.841202  8.251703e+02  0.120055   809.373948                 K  16924.172939  16924.172939  8.242973e+02  0.120182  1.164457e+03
42                   L  14953.397104  14953.397104  3.771495e+02  0.137653  1.007993e+03          L  14953.356683  14953.356683  3.771434e+02  0.137655  1.380312e+03                 L  14953.356683  14953.356683  3.771434e+02  0.137655  1380.312366                 L  14953.315287  14953.315287  3.771372e+02  0.137658  1.644306e+03
43                   D  17522.940515  17522.940515  1.045330e+03  0.111407  1.102206e+03          D  17522.604345  17522.604345  1.045190e+03  0.111421  2.039558e+03                 D  17522.604345  17522.604345  1.045190e+03  0.111421  2039.558022                 D  17522.605702  17522.605702  1.045191e+03  0.111421  1.412768e+03
44                   L  14014.917596  14014.917596  2.599027e+02  0.100045  2.283170e+02          L  14014.918543  14014.918543  2.599028e+02  0.100045  2.198761e+02                 L  14014.918543  14014.918543  2.599028e+02  0.100045   219.876062                 L  14014.918271  14014.918271  2.599028e+02  0.100045  8.257723e+01
45                   D  17792.805869  17792.805869  1.163461e+03  0.100105  3.109284e+02          D  17792.800861  17792.800861  1.163459e+03  0.100105  3.594616e+01                 D  17792.800861  17792.800861  1.163459e+03  0.100105    35.946164                 D  17792.806109  17792.806109  1.163461e+03  0.100105  2.075386e+02
46                   T  17124.149960  17124.149960  8.923608e+02  0.094547  2.859779e+02          T  17124.150437  17124.150437  8.923609e+02  0.094547  9.152740e+01                 T  17124.150437  17124.150437  8.923609e+02  0.094547    91.527403                 T  17124.145601  17124.145601  8.923592e+02  0.094547  1.817549e+02
47                   A  20378.135507  20378.135507  3.244977e+03  0.073300  2.288400e+02          A  20378.135645  20378.135645  3.244977e+03  0.073300  1.875018e+02                 A  20378.135645  20378.135645  3.244977e+03    0.0733   187.501818                 A  20378.135645  20378.135645  3.244977e+03    0.0733  1.889220e+02
48                   S  21365.024359  21365.024359  4.800156e+03  0.073300  2.288793e+02          S  21365.024509  21365.024509  4.800157e+03  0.073300  1.874378e+02                 S  21365.024509  21365.024509  4.800157e+03    0.0733   187.437834                 S  21365.024509  21365.024509  4.800157e+03    0.0733  1.889746e+02
49                   S  23105.018476  23105.018476  9.573294e+03  0.073340  2.289943e+02          S  23105.018700  23105.018700  9.573295e+03  0.073340  1.873599e+02                 S  23105.018700  23105.018700  9.573295e+03   0.07334   187.359896                 S  23105.018700  23105.018700  9.573295e+03   0.07334  1.890946e+02
50                   Q  21306.974669  21306.974669  4.690868e+03  0.073300  2.288774e+02          Q  21306.974818  21306.974818  4.690869e+03  0.073300  1.874409e+02                 Q  21306.974818  21306.974818  4.690869e+03    0.0733   187.440945                 Q  21306.974818  21306.974818  4.690869e+03    0.0733  1.889720e+02
51                   L  17011.160842  17011.160842  8.532418e+02  0.073260  2.284253e+02          L  17011.160818  17011.160818  8.532418e+02  0.073260  1.880660e+02                 L  17011.160818  17011.160818  8.532418e+02   0.07326   188.066022                 L  17011.160818  17011.160818  8.532418e+02   0.07326  1.884013e+02
52                   A  17649.610444  17649.610444  1.099205e+03  0.084135  2.899918e+02          A  17649.609944  17649.609944  1.099205e+03  0.084135  4.478558e+02                 A  17649.609944  17649.609944  1.099205e+03  0.084135   447.855775                 A  17649.609944  17649.609944  1.099205e+03  0.084135  3.261662e+02
53                   D  19449.308940  19449.308940  2.244771e+03  0.084181  2.896399e+02          D  19449.308447  19449.308447  2.244771e+03  0.084181  4.476492e+02                 D  19449.308447  19449.308447  2.244771e+03  0.084181   447.649167                 D  19449.308447  19449.308447  2.244771e+03  0.084181  3.258576e+02
54                   D  18406.756883  18406.756883  1.484354e+03  0.084135  2.898295e+02          D  18406.756365  18406.756365  1.484353e+03  0.084135  4.477249e+02                 D  18406.756365  18406.756365  1.484353e+03  0.084135   447.724905                 D  18406.756365  18406.756365  1.484353e+03  0.084135  3.260134e+02
55                   V  14125.672471  14125.672471  2.715777e+02  0.072642  5.597161e+02          V  14125.673797  14125.673797  2.715779e+02  0.072641  6.417865e+02                 V  14125.673797  14125.673797  2.715779e+02  0.072641   641.786537                 V  14125.673797  14125.673797  2.715779e+02  0.072641  5.782492e+02
56                   Y  16856.889814  16856.889814  8.025845e+02  0.072681  5.583377e+02          Y  16856.891003  16856.891003  8.025849e+02  0.072680  6.404868e+02                 Y  16856.891003  16856.891003  8.025849e+02   0.07268   640.486821                 Y  16856.891003  16856.891003  8.025849e+02   0.07268  5.768763e+02
57                   E  19143.144279  19143.144279  1.988012e+03  0.065761  9.754041e+02          E  19143.144390  19143.144390  1.988012e+03  0.065761  1.024905e+03                 E  19143.144390  19143.144390  1.988012e+03  0.065761  1024.904749                 E  19143.144390  19143.144390  1.988012e+03  0.065761  9.883455e+02
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  24763.705386           NaN           NaN       NaN           NaN          R  24763.705386           NaN           NaN       NaN           NaN                 R  24763.705386           NaN           NaN       NaN          NaN                 R  24763.705386           NaN           NaN       NaN           NaN
62                   V  26169.774154           NaN           NaN       NaN           NaN          V  26169.774154           NaN           NaN       NaN           NaN                 V  26169.774154           NaN           NaN       NaN          NaN                 V  26169.774154           NaN           NaN       NaN           NaN
63                   T  28027.585448  28027.585448  6.748914e+04  0.001372  1.132408e+03          T  28025.331685  28025.331685  6.742882e+04  0.001373  1.229604e+03                 T  28025.331685  28025.331685  6.742882e+04  0.001373  1229.604402                 T  28025.331685  28025.331685  6.742882e+04  0.001373  1.229604e+03
64                   V  26348.306392  26348.306392  3.466484e+04  0.001369  1.125119e+03          V  26345.345498  26345.345498  3.462415e+04  0.001371  1.238980e+03                 V  26345.345498  26345.345498  3.462415e+04  0.001371  1238.979593                 V  26345.345498  26345.345498  3.462415e+04  0.001371  1.238980e+03
65                   T  27136.664916  27136.664916  4.739426e+04  0.001953  1.704237e+03          T  27133.576874  27133.576874  4.733623e+04  0.001955  1.627075e+03                 T  27133.576874  27133.576874  4.733623e+04  0.001955  1627.074783                 T  27133.576874  27133.576874  4.733623e+04  0.001955  1.627075e+03
66                   A  29519.462593  29519.462593  1.219800e+05  0.001951  1.356970e+03          A  29515.444037  29515.444037  1.217857e+05  0.001954  1.316171e+03                 A  29515.444037  29515.444037  1.217857e+05  0.001954  1316.171490                 A  29515.444037  29515.444037  1.217857e+05  0.001954  1.316171e+03
67                   S  24524.349772  24524.349772  1.681188e+04  0.020932  1.390946e+03          S  24525.726024  24525.726024  1.682106e+04  0.020920  1.978354e+03                 S  24525.726024  24525.726024  1.682106e+04   0.02092  1978.354355                 S  24525.726024  24525.726024  1.682106e+04   0.02092  1.978354e+03
68                   L  20754.429230  20754.429230  3.767455e+03  0.020907  9.252538e+02          L  20755.764442  20755.764442  3.769451e+03  0.020896  1.089478e+03                 L  20755.764442  20755.764442  3.769451e+03  0.020896  1089.477638                 L  20755.764442  20755.764442  3.769451e+03  0.020896  1.089478e+03
69                   G  18965.595012  18965.595012  1.852792e+03  0.046600  7.625157e+02          G  18967.080174  18967.080174  1.853884e+03  0.046573  8.221516e+02                 G  18967.080174  18967.080174  1.853884e+03  0.046573   822.151580                 G  18967.080174  18967.080174  1.853884e+03  0.046573  8.221516e+02
70                   E  20705.518311  20705.518311  3.695052e+03  0.046652  7.623620e+02          E  20707.004269  20707.004269  3.697231e+03  0.046624  8.219032e+02                 E  20707.004269  20707.004269  3.697231e+03  0.046624   821.903164                 E  20707.004269  20707.004269  3.697231e+03  0.046624  8.219032e+02
71                   E  18850.758294  18850.758294  1.770272e+03  0.046626  7.625504e+02          E  18852.243397  18852.243397  1.771316e+03  0.046598  8.221235e+02                 E  18852.243397  18852.243397  1.771316e+03  0.046598   822.123461                 E  18852.243397  18852.243397  1.771316e+03  0.046598  8.221235e+02
72                   T  18830.840618  18830.840618  1.756338e+03  0.051511  7.994847e+02          T  18830.868854  18830.868854  1.756358e+03  0.051511  8.204257e+02                 T  18830.868854  18830.868854  1.756358e+03  0.051511   820.425682                 T  18830.868854  18830.868854  1.756358e+03  0.051511  8.204257e+02
73                   A  21264.734485  21264.734485  4.612912e+03  0.051568  7.993322e+02          A  21264.763137  21264.763137  4.612964e+03  0.051567  8.202468e+02                 A  21264.763137  21264.763137  4.612964e+03  0.051567   820.246804                 A  21264.763137  21264.763137  4.612964e+03  0.051567  8.202468e+02
74                   F  18711.519421  18711.519421  1.675131e+03  0.051540  7.995512e+02          F  18711.547580  18711.547580  1.675150e+03  0.051539  8.204680e+02                 F  18711.547580  18711.547580  1.675150e+03  0.051539   820.467982                 F  18711.547580  18711.547580  1.675150e+03  0.051539  8.204680e+02
75                   L  17468.800719  17468.800719  1.023116e+03  0.044269  1.010538e+03          L  17468.798489  17468.798489  1.023115e+03  0.044269  1.039647e+03                 L  17468.798489  17468.798489  1.023115e+03  0.044269  1039.647185                 L  17468.798489  17468.798489  1.023115e+03  0.044269  1.039647e+03
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  36941.121216  36941.121216  2.317725e+06  0.000178  1.224080e+04          E  36937.265449  36937.265449  2.314182e+06  0.000179  6.248872e+03                 E  36937.265449  36937.265449  2.314182e+06  0.000179  6248.871818                 E  36937.265449  36937.265449  2.314182e+06  0.000179  6.248872e+03
78                   V  29459.387065  29459.387065  1.191070e+05  0.000178  4.839115e+03          V  29451.065382  29451.065382  1.187144e+05  0.000179  3.596048e+03                 V  29451.065382  29451.065382  1.187144e+05  0.000179  3596.048401                 V  29451.065382  29451.065382  1.187144e+05  0.000179  3.596048e+03
79                   Q  33785.158184  33785.158184  6.626440e+05  0.000188  3.606291e+03          Q  33776.833983  33776.833983  6.604592e+05  0.000189  5.246263e+03                 Q  33776.833983  33776.833983  6.604592e+05  0.000189  5246.262684                 Q  33776.833983  33776.833983  6.604592e+05  0.000189  5.246263e+03
80                   Q  35757.878802  35757.878802  1.449392e+06  0.000188  2.898445e+03          Q  35746.366229  35746.366229  1.442787e+06  0.000189  3.152991e+03                 Q  35746.366229  35746.366229  1.442787e+06  0.000189  3152.990829                 Q  35746.366229  35746.366229  1.442787e+06  0.000189  3.152991e+03
81                   G  35236.928060  35236.928060  1.178757e+06  0.000188  2.904180e+03          G  35225.415403  35225.415403  1.173386e+06  0.000189  3.142842e+03                 G  35225.415403  35225.415403  1.173386e+06  0.000189  3142.841695                 G  35225.415403  35225.415403  1.173386e+06  0.000189  3.142842e+03
82                   G  35062.815907  35062.815907  1.100080e+06  0.000188  2.904180e+03          G  35051.303252  35051.303252  1.095067e+06  0.000189  3.142843e+03                 G  35051.303252  35051.303252  1.095067e+06  0.000189  3142.843342                 G  35051.303252  35051.303252  1.095067e+06  0.000189  3.142843e+03
83                   I  31001.579040  31001.579040  2.196148e+05  0.000188  2.909926e+03          I  30990.066348  30990.066348  2.186140e+05  0.000189  3.132889e+03                 I  30990.066348  30990.066348  2.186140e+05  0.000189  3132.888724                 I  30990.066348  30990.066348  2.186140e+05  0.000189  3.132889e+03
84                   F  31521.145883  31521.145883  2.698885e+05  0.000188  2.898429e+03          F  31509.633348  31509.633348  2.686586e+05  0.000189  3.153073e+03                 F  31509.633348  31509.633348  2.686586e+05  0.000189  3153.073360                 F  31509.633348  31509.633348  2.686586e+05  0.000189  3.153073e+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  15628.608247  15628.608247  4.930084e+02  0.178943  2.009985e+03          A  15628.607681  15628.607681  4.930083e+02  0.178943  3.178325e+03                 A  15628.607681  15628.607681  4.930083e+02  0.178943  3178.324944                 A  15628.607681  15628.607681  4.930083e+02  0.178943  3.178325e+03
88                   G  16789.856203  16789.856203  7.815211e+02  0.179041  2.009469e+03          G  16789.855478  16789.855478  7.815208e+02  0.179041  3.177332e+03                 G  16789.855478  16789.855478  7.815208e+02  0.179041  3177.332328                 G  16789.855478  16789.855478  7.815208e+02  0.179041  3.177332e+03
89                   I  13708.935024  13708.935024  2.301914e+02  0.178845  2.012826e+03          I  13708.934455  13708.934455  2.301913e+02  0.178846  3.182826e+03                 I  13708.934455  13708.934455  2.301913e+02  0.178846  3182.825929                 I  13708.934455  13708.934455  2.301913e+02  0.178846  3.182826e+03
90                   E  14989.623777  14989.623777  3.826092e+02  0.178943  2.010854e+03          E  14989.623472  14989.623472  3.826092e+02  0.178943  3.179636e+03                 E  14989.623472  14989.623472  3.826092e+02  0.178943  3179.636092                 E  14989.623472  14989.623472  3.826092e+02  0.178943  3.179636e+03
91                   G  15921.144163  15921.144163  5.536803e+02  0.178943  2.009655e+03          G  15921.143498  15921.143498  5.536802e+02  0.178943  3.177827e+03                 G  15921.143498  15921.143498  5.536802e+02  0.178943  3177.826899                 G  15921.143498  15921.143498  5.536802e+02  0.178943  3.177827e+03
92                   T  17546.561387  17546.561387  1.055172e+03  0.178943  2.008379e+03          T  17546.560338  17546.560338  1.055171e+03  0.178943  3.175903e+03                 T  17546.560338  17546.560338  1.055171e+03  0.178943  3175.902897                 T  17546.560338  17546.560338  1.055171e+03  0.178943  3.175903e+03
93                   Q  18474.509409  18474.509409  1.524794e+03  0.179041  2.008542e+03          Q  18474.508404  18474.508404  1.524794e+03  0.179042  3.175934e+03                 Q  18474.508404  18474.508404  1.524794e+03  0.179042  3175.934065                 Q  18474.508404  18474.508404  1.524794e+03  0.179042  3.175934e+03
94                   M  17848.208656  17848.208656  1.189318e+03  0.195338  3.462680e+03          M  17848.205315           NaN           NaN       NaN           NaN                 M  17848.205315           NaN           NaN       NaN          NaN                 M  17848.205315           NaN           NaN       NaN           NaN
95                   A  20655.080881           NaN           NaN       NaN           NaN          A  20655.080881           NaN           NaN       NaN           NaN                 A  20655.080881           NaN           NaN       NaN          NaN                 A  20655.080881           NaN           NaN       NaN           NaN
96                   H  23463.426485           NaN           NaN       NaN           NaN          H  23463.426485           NaN           NaN       NaN           NaN                 H  23463.426485           NaN           NaN       NaN          NaN                 H  23463.426485           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  29080.117694           NaN           NaN       NaN           NaN          L  29080.117694           NaN           NaN       NaN           NaN                 L  29080.117694           NaN           NaN       NaN          NaN                 L  29080.117694           NaN           NaN       NaN           NaN
99                   G  31888.463298           NaN           NaN       NaN           NaN          G  31888.463298           NaN           NaN       NaN           NaN                 G  31888.463298           NaN           NaN       NaN          NaN                 G  31888.463298           NaN           NaN       NaN           NaN
100                  A  34695.423486           NaN           NaN       NaN           NaN          A  34695.423486           NaN           NaN       NaN           NaN                 A  34695.423486           NaN           NaN       NaN          NaN                 A  34695.423486           NaN           NaN       NaN           NaN
101                  Y  32145.067223  32145.067223  3.456908e+05  0.000233  1.404644e+03          Y  32125.111229  32125.111229  3.429647e+05  0.000235  9.432206e+02                 Y  32125.111229  32125.111229  3.429647e+05  0.000235   943.220572                 Y  32125.111229  32125.111229  3.429647e+05  0.000235  9.432206e+02
102                  C  38006.397671  38006.397671  3.536812e+06  0.000199  1.680580e+03          C  37986.791404  37986.791404  3.509408e+06  0.000200  8.762404e+02                 C  37986.791404  37986.791404  3.509408e+06    0.0002   876.240413                 C  37986.791404  37986.791404  3.509408e+06    0.0002  8.762404e+02
103                  P  36788.066604           NaN           NaN       NaN           NaN          P  36788.066604           NaN           NaN       NaN           NaN                 P  36788.066604           NaN           NaN       NaN          NaN                 P  36788.066604           NaN           NaN       NaN           NaN
104                  N  35572.174411  35572.174411  1.346444e+06  0.000198  1.352748e+03          N  35548.777327  35548.777327  1.334003e+06  0.000200  8.080530e+02                 N  35548.777327  35548.777327  1.334003e+06    0.0002   808.052969                 N  35548.777327  35548.777327  1.334003e+06    0.0002  8.080530e+02
105                  I  31741.703737  31741.703737  2.945691e+05  0.000198  1.352750e+03          I  31718.306718  31718.306718  2.918474e+05  0.000200  8.080569e+02                 I  31718.306718  31718.306718  2.918474e+05    0.0002   808.056865                 I  31718.306718  31718.306718  2.918474e+05    0.0002  8.080569e+02
106                  L  29421.583569  29421.583569  1.173340e+05  0.000198  1.353624e+03          L  29398.187496  29398.187496  1.162499e+05  0.000200  8.079110e+02                 L  29398.187496  29398.187496  1.162499e+05    0.0002   807.910977                 L  29398.187496  29398.187496  1.162499e+05    0.0002  8.079110e+02
107                  F  31644.885532  31644.885532  2.834687e+05  0.000188  1.660071e+03          F  31623.848084  31623.848084  2.811126e+05  0.000189  9.056323e+02                 F  31623.848084  31623.848084  2.811126e+05  0.000189   905.632276                 F  31623.848084  31623.848084  2.811126e+05  0.000189  9.056323e+02
108                  P  32528.570768           NaN           NaN       NaN           NaN          P  32528.570768           NaN           NaN       NaN           NaN                 P  32528.570768           NaN           NaN       NaN          NaN                 P  32528.570768           NaN           NaN       NaN           NaN
109                  Y  33417.044856  33417.044856  5.726026e+05  0.000081  1.985270e+03          A  33403.091149  33403.091149  5.694414e+05  0.000152  1.053844e+03                 A  33403.091149  33403.091149  5.694414e+05  0.000152  1053.843548                 A  33403.091149  33403.091149  5.694414e+05  0.000152  1.053844e+03
110                  A  34303.779267  34303.779267  8.140296e+05  0.000207  1.877564e+03          A  34288.881807  34288.881807  8.092325e+05  0.000186  1.162760e+03                 A  34288.881807  34288.881807  8.092325e+05  0.000186  1162.759793                 A  34288.881807  34288.881807  8.092325e+05  0.000186  1.162760e+03
111                  R  35190.728876  35190.728876  1.157349e+06  0.000156  4.480436e+03          R  35176.219190  35176.219190  1.150705e+06  0.000157  1.067747e+03                 R  35176.219190  35176.219190  1.150705e+06  0.000157  1067.746723                 R  35176.219190  35176.219190  1.150705e+06  0.000157  1.067747e+03
112                  E  36077.337457  36077.337457  1.645240e+06  0.000118  2.576911e+03          E  36064.287535  36064.287535  1.636744e+06  0.000118  9.881148e+02                 E  36064.287535  36064.287535  1.636744e+06  0.000118   988.114816                 E  36064.287535  36064.287535  1.636744e+06  0.000118  9.881148e+02
113                  C  36960.985222  36960.985222  2.336062e+06  0.000190  3.847075e+03          C  36953.335509  36953.335509  2.328983e+06  0.000190  1.737130e+03                 C  36953.335509  36953.335509  2.328983e+06   0.00019  1737.130409                 C  36953.335509  36953.335509  2.328983e+06   0.00019  1.737130e+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  35527.187108  35527.187108  1.322626e+06  0.000422  4.062063e+03          S  35524.538373  35524.538373  1.321236e+06  0.000266  1.962184e+03                 S  35524.537779  35524.537779  1.321236e+06  0.000266  1954.782373                 S  35524.538373  35524.538373  1.321236e+06  0.000266  1.962184e+03
117                  M  33501.074462  33501.074462  5.920138e+05  0.000494  4.524236e+03          M  33497.032784  33497.032784  5.910653e+05  0.000495  1.423295e+03                 M  33497.031790  33497.031790  5.910650e+05  0.000495  1416.911135                 M  33497.032784  33497.032784  5.910653e+05  0.000495  1.423295e+03
118                  V  27623.374793  27623.374793  5.748933e+04  0.000671  3.637623e+04          V  27616.431164  27616.431164  5.733117e+04  0.000673  1.303511e+03                 V  27616.429300  27616.429300  5.733113e+04  0.000673  1290.232652                 V  27616.431164  27616.431164  5.733117e+04  0.000673  1.303511e+03
119                  S  28706.521456  28706.521456  8.835203e+04  0.002886  1.016658e+03          A  28695.242364  28695.242364  8.795754e+04  0.001236  1.150476e+03                 A  28695.238816  28695.238816  8.795742e+04  0.001236  1122.311221                 A  28695.242364  28695.242364  8.795754e+04  0.001236  1.150476e+03
120                  R  29575.847533  29575.847533  1.247395e+05  0.002887  3.280959e+03          R  29557.066897  29557.066897  1.238135e+05  0.001458  7.632321e+02                 R  29558.372515  29558.372515  1.238776e+05  0.001457   819.070952                 R  29557.066897  29557.066897  1.238135e+05  0.001458  7.632321e+02
121                  G  28474.515379  28474.515379  8.058259e+04  0.002885  3.283680e+03          G  28450.221216  28450.221216  7.980962e+04  0.002913  7.794248e+02                 G  28452.286625  28452.286625  7.987505e+04  0.002911   854.953413                 G  28450.221216  28450.221216  7.980962e+04  0.002913  7.794248e+02
122                  T  27952.172145  27952.172145  6.549980e+04  0.002885  3.283684e+03          T  27927.878055  27927.878055  6.487151e+04  0.002913  7.794291e+02                 T  27929.943458  27929.943458  6.492469e+04  0.002911   854.958285                 T  27927.878055  27927.878055  6.487151e+04  0.002913  7.794291e+02
123                  F  27139.634773  27139.634773  4.745013e+04  0.002885  3.283691e+03          F  27115.340834  27115.340834  4.699498e+04  0.002913  7.794378e+02                 F  27117.406224  27117.406224  4.703351e+04  0.002911   854.968187                 F  27115.340834  27115.340834  4.699498e+04  0.002913  7.794378e+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  26327.091804  26327.091804  3.437430e+04  0.002885  3.283701e+03          Q  26302.798073  26302.798073  3.404458e+04  0.002913  7.794498e+02                 Q  26304.863447  26304.863447  3.407249e+04  0.002911   854.981855                 Q  26302.798073  26302.798073  3.404458e+04  0.002913  7.794498e+02
126                  L  24833.691385  24833.691385  1.900714e+04  0.003292  2.403572e+03          L  24813.528175  24813.528175  1.885569e+04  0.003319  8.685057e+02                 L  24815.748342  24815.748342  1.887231e+04  0.003316   970.293709                 L  24813.528175  24813.528175  1.885569e+04  0.003319  8.685057e+02
127                  N  20549.388323  20549.388323  3.473113e+03  0.082339  1.106835e+03          N  20549.662199  20549.662199  3.473491e+03  0.082330  1.262128e+03                 N  20551.674742  20551.674742  3.476265e+03  0.082264  1845.724199                 N  20549.662199  20549.662199  3.473491e+03   0.08233  1.262128e+03
128                  L  15897.151984  15897.151984  5.484350e+02  0.150153  1.178720e+03          L  15897.481253  15897.481253  5.485067e+02  0.150133  1.228464e+03                 L  15898.439200  15898.439200  5.487152e+02  0.150076  1806.729591                 L  15897.481253  15897.481253  5.485067e+02  0.150133  1.228464e+03
129                  A  15849.906592  15849.906592  5.382508e+02  0.171656  1.471628e+03          A  15849.516949  15849.516949  5.381676e+02  0.171682  1.147065e+03                 A  15850.679343  15850.679343  5.384158e+02  0.171603  1784.884088                 A  15849.516949  15849.516949  5.381676e+02  0.171682  1.147065e+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  11594.070427  11594.070427  9.946993e+01  0.171559  1.477826e+03          V  11593.686832  11593.686832  9.945479e+01  0.171585  1.151888e+03                 V  11594.829346  11594.829346  9.949988e+01  0.171508  1792.360367                 V  11593.686832  11593.686832  9.945479e+01  0.171585  1.151888e+03
132                  N  19101.995266  19101.995266  1.955820e+03  0.171751  1.470487e+03          N  19101.603901  19101.603901  1.955517e+03  0.171777  1.146212e+03                 N  19102.769063  19102.769063  1.956421e+03  0.171698  1783.581451                 N  19101.603901  19101.603901  1.955517e+03  0.171777  1.146212e+03
133                  F  17535.264046  17535.264046  1.050453e+03  0.171656  1.470957e+03          F  17534.872928  17534.872928  1.050290e+03  0.171683  1.146538e+03                 F  17536.037608  17536.037608  1.050775e+03  0.171604  1784.064462                 F  17534.872928  17534.872928  1.050290e+03  0.171683  1.146538e+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  14709.400492           NaN           NaN       NaN           NaN          A  14709.400492           NaN           NaN       NaN           NaN               NaN  14709.400492           NaN           NaN       NaN          NaN                 A  14709.400492           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  17469.309570  17469.309570  1.023322e+03  0.583462  8.184005e+03          N  17469.310018  17469.310018  1.023323e+03  0.583462  7.030969e+03               NaN  17469.311932           NaN           NaN       NaN          NaN                 N  17469.310018  17469.310018  1.023323e+03  0.583462  7.030969e+03
140                  Y  14382.479595  14382.479595  3.007065e+02  0.558297  6.340929e+03          Y  14382.480216  14382.480216  3.007065e+02  0.558296  5.809917e+03               NaN  14382.481069           NaN           NaN       NaN          NaN                 Y  14382.480216  14382.480216  3.007065e+02  0.558296  5.809917e+03
141                  L  10896.209011  10896.209011  7.541336e+01  0.579803  5.953121e+03          L  10896.205561  10896.205561  7.541325e+01  0.579804  5.598073e+03               NaN  10896.207760           NaN           NaN       NaN          NaN                 L  10896.205561  10896.205561  7.541325e+01  0.579804  5.598073e+03
142                  Q  12215.161405  12215.161405  1.272646e+02  0.828596  1.201577e+04          Q  12215.160848  12215.160848  1.272646e+02  0.828596  1.048592e+04               NaN  12215.161097           NaN           NaN       NaN          NaN                 Q  12215.160848  12215.160848  1.272646e+02  0.828596  1.048592e+04
143                  Q  14606.070115  14606.070115  3.286004e+02  0.828823  1.123116e+04          Q  14606.068547  14606.068547  3.286002e+02  0.828824  9.368460e+03               NaN  14606.069424           NaN           NaN       NaN          NaN                 Q  14606.068547  14606.068547  3.286002e+02  0.828824  9.368460e+03
144                  Q  14606.070115  14606.070115  3.286004e+02  0.828823  1.123116e+04          Q  14606.068547  14606.068547  3.286002e+02  0.828824  9.368460e+03               NaN  14606.069424           NaN           NaN       NaN          NaN                 Q  14606.068547  14606.068547  3.286002e+02  0.828824  9.368460e+03
145                  A  14257.402468  14257.402468  2.861486e+02  0.828596  1.122637e+04          A  14257.400899  14257.400899  2.861484e+02  0.828597  9.364468e+03               NaN  14257.401781           NaN           NaN       NaN          NaN                 A  14257.400899  14257.400899  2.861484e+02  0.828597  9.364468e+03
146                  G  12917.768975  12917.768975  1.681779e+02  0.828144  1.123298e+04          G  12917.772004  12917.772004  1.681781e+02  0.828143  9.369941e+03               NaN  12917.768285           NaN           NaN       NaN          NaN                 G  12917.772004  12917.772004  1.681781e+02  0.828143  9.369941e+03
147                  E  13441.042347  13441.042347  2.069810e+02  0.829050  1.125933e+04          E  13441.045384  13441.045384  2.069812e+02  0.829049  9.391899e+03               NaN  13441.041639           NaN           NaN       NaN          NaN                 E  13441.045384  13441.045384  2.069812e+02  0.829049  9.391899e+03
148                  G  12042.820076  12042.820076  1.188537e+02  0.828145  1.125868e+04          G  12042.823112  12042.823112  1.188538e+02  0.828144  9.391379e+03               NaN  12042.819371           NaN           NaN       NaN          NaN                 G  12042.823112  12042.823112  1.188538e+02  0.828144  9.391379e+03
149                  T  13673.359679  13673.359679  2.269652e+02  0.829050  1.125490e+04          T  13673.362715  13673.362715  2.269655e+02  0.829049  9.388202e+03               NaN  13673.358974           NaN           NaN       NaN          NaN                 T  13673.362715  13673.362715  2.269655e+02  0.829049  9.388202e+03
150                  E  13617.354269  13617.354269  2.219778e+02  0.828596  1.123690e+04          E  13617.352702  13617.352702  2.219776e+02  0.828597  9.373248e+03               NaN  13617.353574           NaN           NaN       NaN          NaN                 E  13617.352702  13617.352702  2.219776e+02  0.828597  9.373248e+03
151                  E  11573.750719  11573.750719  9.867126e+01  0.828596  1.129553e+04          E  11573.749168  11573.749168  9.867120e+01  0.828597  9.422151e+03               NaN  11573.749993           NaN           NaN       NaN          NaN                 E  11573.749168  11573.749168  9.867120e+01  0.828597  9.422151e+03
152                  H   6097.238085   6097.238085  1.123496e+01  8.478941  4.663831e+19          H   6097.238085   6097.238085  1.123496e+01  8.478941  4.205557e+19               NaN   6097.238085           NaN           NaN       NaN          NaN                 H   6097.238085   6097.238085  1.123496e+01  8.478941  4.205557e+19
153                  Q   8625.733625   8625.733625  3.063648e+01  8.483221  4.517519e+19          Q   8625.733625   8625.733625  3.063648e+01  8.483221  4.073622e+19               NaN   8625.733625           NaN           NaN       NaN          NaN                 Q   8625.733625   8625.733625  3.063648e+01  8.483221  4.073622e+19
154                  D   8911.090817   8911.090817  3.430889e+01  8.485851  4.560610e+19          D   8911.088750   8911.088750  3.430886e+01  8.485857  4.112615e+19               NaN   8911.091896           NaN           NaN       NaN          NaN                 D   8911.088750   8911.088750  3.430886e+01  8.485857  4.112615e+19
155                  A   8911.089966   8911.089966  3.430888e+01  0.044544  2.240054e+03          A   8911.087961   8911.087961  3.430885e+01  0.044544  1.966548e+03               NaN   8911.095742           NaN           NaN       NaN          NaN                 A   8911.087961   8911.087961  3.430885e+01  0.044544  1.966548e+03