id,foldx_SAEM,Tmax_SAEM,Cmax_SAEM,alpha_SAEM,FB_SAEM,beta_SAEM,Ftoci_SAEM,Fster_SAEM,foldx_mean,Tmax_mean,Cmax_mean,alpha_mean,FB_mean,beta_mean,Ftoci_mean,Fster_mean,foldx_mode,Tmax_mode,Cmax_mode,alpha_mode,FB_mode,beta_mode,Ftoci_mode,Fster_mode,foldx_sd,Tmax_sd,Cmax_sd,alpha_sd,FB_sd,beta_sd,Ftoci_sd,Fster_sd,STERSTT,TOCI1T,STERST_comed,TOCI1_comed
1,2.94524e+07,10.4882,1.21328e+06,0.189448,0.00812075,0.00637876,1.24429,0.967504,6.51708e+07,10.3674,1.05387e+06,0.173636,0.00888662,0.00595292,1.23877,0.973995,2.97769e+06,10.1112,715933,0.139261,0.00664914,0.0048656,1.23877,0.973995,4.00838e+08,0.61525,860693,0.174668,0.0081234,0.0046733,0,0,9.587,10.485,1,1
2,17227.5,5.49115,26628,0.516075,0.00767448,0.0062048,1.24429,0.967504,41697,5.24937,26096.3,0.517248,0.00630781,0.00579407,1.23877,0.973995,989.894,5.44666,29447.9,0.554414,0.00602641,0.00501558,1.23877,0.973995,178692,0.67712,11517.2,0.177602,0.00319592,0.00365362,0,0,0.108,1.82,1,1
3,75319.6,12.9298,324570,0.104481,0.00858492,0.00511343,1.24429,0.967504,70922.2,13.3306,373659,0.110408,0.00968137,0.00551535,1.23877,0.973995,44940.7,13.0955,279899,0.0783718,0.00701958,0.00480139,1.23877,0.973995,57831.8,0.783774,197313,0.0466427,0.0058194,0.00394238,0,0,9999,5.474,0,1
4,11702.9,11.0269,344512,0.146885,0.00917062,0.00533676,1.24429,0.967504,7818.5,10.7971,258824,0.109719,0.010066,0.00532796,1.23877,0.973995,5466.81,10.608,208288,0.0676652,0.00736799,0.00473606,1.23877,0.973995,6428.1,0.854992,137626,0.0684578,0.00635535,0.00344759,0,0,9999,9999,0,0
5,130882,5.85069,298919,0.372233,0.00373239,0.00672166,1.24429,0.967504,309981,5.84012,333365,0.401564,0.00361393,0.00687275,1.23877,0.973995,16869.3,6.0665,302802,0.396536,0.0033963,0.0051265,1.23877,0.973995,1.9763e+06,0.571338,121938,0.0779221,0.00191858,0.00422403,0,0,87.466,9999,1,0
6,1.33915e+06,8.72637,140738,0.264284,0.00925709,0.00731515,1.24429,0.967504,5.49707e+06,8.44832,116012,0.230826,0.00817446,0.00645323,1.23877,0.973995,70657.6,8.53357,114320,0.218968,0.00607728,0.0049039,1.23877,0.973995,4.96343e+07,1.06448,71006.4,0.151615,0.00648398,0.00500945,0,0,9999,9999,0,0
7,74470.7,13.2232,145563,0.114635,0.00327262,0.0141074,1.24429,0.967504,57900.1,13.0096,157509,0.114583,0.00271282,0.011938,1.23877,0.973995,24851,12.908,129967,0.109266,0.00212964,0.00807425,1.23877,0.973995,90366.6,0.730927,47613.9,0.0134717,0.00190292,0.0086886,0,0,9999,9999,0,0
8,240232,4.89846,321453,0.0675643,0.00979248,0.00600408,1.24429,0.967504,384916,4.78244,336710,0.0710487,0.00907632,0.0055679,1.23877,0.973995,122456,4.59156,356854,0.08161,0.00667609,0.00486417,1.23877,0.973995,1.15969e+06,0.62179,84205.3,0.0337221,0.00722464,0.00393455,0,0,9.531,9.017,1,1
9,423843,12.0209,223383,0.0971225,0.00469609,0.00644036,1.24429,0.967504,19928.3,12.5453,237027,0.099967,0.00448792,0.00712666,1.23877,0.973995,2742.77,13.2362,204073,0.0945348,0.00386938,0.00582905,1.23877,0.973995,93660.9,2.07551,107041,0.0278785,0.00259256,0.00509743,0,0,9999,9999,0,0
10,144129,9.34434,99548.3,0.0400557,0.00944714,0.00745901,1.24429,0.967504,108608,9.65497,103081,0.0400509,0.00804318,0.00585882,1.23877,0.973995,31495.1,9.7114,101526,0.0416312,0.00675873,0.00484915,1.23877,0.973995,284931,1.16137,34150.6,0.0101817,0.00703834,0.00420168,0,0,9999,9999,0,0
11,77311.4,12.4499,579477,0.121419,0.00767252,0.00590622,1.24429,0.967504,108647,12.2698,628063,0.126801,0.00631554,0.00587806,1.23877,0.973995,18807.1,12.853,606844,0.129253,0.00589877,0.00500671,1.23877,0.973995,378014,1.35854,375215,0.0505615,0.00350038,0.00370811,0,0,9999,9999,0,0
12,3.3212e+09,10.2878,1.48682e+07,0.0265609,0.00766239,0.00539368,1.24429,0.967504,1.46633e+09,10.2874,1.33783e+07,0.0246272,0.00906329,0.00652992,1.23877,0.973995,7.78638e+08,10.3469,1.36652e+07,0.0259291,0.00679034,0.00482533,1.23877,0.973995,2.06328e+09,0.28607,4.16736e+06,0.00842186,0.00859782,0.00462747,0,0,5.532,5.105,1,1
13,19091.1,7.65867,145592,0.0921826,0.00702167,0.00632287,1.24429,0.967504,16304.8,7.87564,158489,0.0948944,0.00609313,0.00689247,1.23877,0.973995,13258.6,7.7717,142654,0.0903067,0.00535806,0.00522904,1.23877,0.973995,12029.2,0.399379,46528.9,0.0255024,0.00429131,0.00498399,0,0,4.458,4.038,1,1
14,2.81048e+07,7.39966,157128,0.506176,0.00933734,0.0059854,1.24429,0.967504,2.89577e+06,7.50144,127263,0.527767,0.00763181,0.00538213,1.23877,0.973995,67888,7.53791,129893,0.518669,0.0060991,0.00477836,1.23877,0.973995,1.91006e+07,1.90863,116262,0.231939,0.00455535,0.00319744,0,0,8.41,6.92,1,1
15,655744,7.04694,1.03131e+07,0.355978,0.0286208,0.00462534,1.24429,0.967504,619646,6.88987,8.55738e+06,0.309082,0.0307612,0.00447693,1.23877,0.973995,40590.8,7.46417,8.62839e+06,0.310117,0.0261236,0.00384886,1.23877,0.973995,3.70301e+06,1.01465,3.88925e+06,0.130419,0.0154813,0.00235292,0,0,9999,9999,0,0
16,4.03534e+06,13.0526,880794,0.0457564,0.00819663,0.00573894,1.24429,0.967504,5.15579e+06,12.9845,994675,0.0478081,0.00896379,0.00568748,1.23877,0.973995,1.10329e+06,12.5,794484,0.0413002,0.00669793,0.00486071,1.23877,0.973995,2.44711e+07,1.15359,441213,0.0243038,0.00706705,0.00372527,0,0,9999,9999,0,0
17,268065,6.6974,166090,0.247221,0.00950847,0.00610953,1.24429,0.967504,2.61825e+06,7.16651,193035,0.285424,0.00927884,0.00495741,1.23877,0.973995,36950.1,7.83341,230818,0.318148,0.00730873,0.00473993,1.23877,0.973995,2.34971e+07,1.03317,94808.4,0.0947508,0.00475436,0.00302744,0,0,9999,9999,0,0
18,651.537,9.98542,152907,0.34893,0.00937529,0.00533394,1.24429,0.967504,809.45,9.83227,154814,0.334061,0.00969127,0.00556301,1.23877,0.973995,546.406,9.43708,124028,0.264717,0.0101272,0.00530015,1.23877,0.973995,779.61,0.879778,65334.7,0.133219,0.00495703,0.00292139,0,0,9999,8.494,0,1
19,188557,7.43314,104217,0.225904,0.00437587,0.00737788,1.24429,0.967504,548804,7.37021,111797,0.226653,0.00395294,0.00697029,1.23877,0.973995,134098,7.42469,98572.3,0.215591,0.00346991,0.00548178,1.23877,0.973995,3.23134e+06,0.601909,39639.2,0.0392626,0.00204726,0.00434298,0,0,9999,9999,0,0
20,197646,4.94863,51855.2,0.451554,0.00736736,0.00680213,1.24429,0.967504,78106.3,5.13774,37562.5,0.39399,0.00923409,0.00579317,1.23877,0.973995,25790.2,4.94642,41094.3,0.398981,0.00810276,0.00666724,1.23877,0.973995,191848,0.715204,17076.3,0.12517,0.00408401,0.00201931,0,0,9999,9999,0,0
21,1.21515e+06,6.92098,197208,0.108289,0.00382585,0.00417378,1.24429,0.967504,7.82747e+06,7.00578,203264,0.11167,0.0039918,0.00438473,1.23877,0.973995,134141,7.02,183149,0.104656,0.00364828,0.00419483,1.23877,0.973995,3.68364e+07,0.515091,56755.9,0.018622,0.00155019,0.0016347,0,0,9999,9999,0,0
22,1915.18,14.1967,144883,0.267952,0.0157284,0.0053304,1.24429,0.967504,2162.33,14.3107,126712,0.2571,0.0156492,0.00554729,1.23877,0.973995,789.801,15.482,145646,0.257201,0.0119009,0.00459869,1.23877,0.973995,5699.6,2.14976,71863.9,0.154406,0.00839745,0.00368722,0,0,9999,9999,0,0
23,269855,12.5138,246551,0.389834,0.00830715,0.00489225,1.24429,0.967504,267725,12.626,241232,0.418084,0.00867809,0.00550451,1.23877,0.973995,78018.8,12.8315,229108,0.401864,0.00724169,0.00467964,1.23877,0.973995,465673,0.701721,110891,0.139241,0.00497822,0.00373692,0,0,9999,9999,0,0
24,129958,13.9773,154949,0.20277,0.00697016,0.00680589,1.24429,0.967504,138851,14.7095,296231,0.217777,0.00859412,0.00544828,1.23877,0.973995,55066.7,14.7028,142191,0.146259,0.00664757,0.00486563,1.23877,0.973995,166821,2.27209,399178,0.203677,0.00749737,0.00366555,0,0,7.452,6.294,1,1
25,95448.8,6.29593,473861,0.150487,0.00330709,0.00875047,1.24429,0.967504,13807.7,7.58942,448988,0.159758,0.00336822,0.00849274,1.23877,0.973995,605.757,8.63825,473406,0.170218,0.00254735,0.00621449,1.23877,0.973995,65020.8,1.6137,169440,0.0357292,0.00209708,0.00569956,0,0,9999,9999,0,0
26,2.83656e+07,16.2124,7.99808e+06,0.0279476,0.00836043,0.00617432,1.24429,0.967504,2.85069e+07,16.3221,8.15987e+06,0.0293707,0.0103274,0.00635983,1.23877,0.973995,2.50895e+07,16.232,8.17457e+06,0.0307306,0.00669924,0.00486041,1.23877,0.973995,2.27671e+07,0.78582,2.5235e+06,0.00959794,0.00766832,0.00415261,0,0,9999,6.824,0,1
27,764229,12.273,498220,0.0781445,0.00565396,0.00484162,1.24429,0.967504,695921,12.1336,541549,0.0834452,0.00673222,0.00678399,1.23877,0.973995,255903,11.9525,459623,0.0767852,0.00558227,0.00523566,1.23877,0.973995,1.30782e+06,0.914382,209256,0.0226439,0.00379484,0.00383022,0,0,9999,9999,0,0
28,444364,11.2638,57002.2,0.209483,0.0106644,0.00533254,1.24429,0.967504,268460,11.4907,59609.5,0.222719,0.00987251,0.00553497,1.23877,0.973995,40604.9,11.507,52676.2,0.209976,0.00775025,0.00468028,1.23877,0.973995,730907,0.473231,21536.2,0.0801679,0.00544007,0.0037971,0,0,9999,10.849,0,1
29,68645,9.17342,49896.3,0.119563,0.0088554,0.00482341,1.24429,0.967504,28504,9.82949,58071.2,0.144387,0.00834593,0.00589488,1.23877,0.973995,21360.7,9.23533,59394.3,0.153361,0.00654358,0.00487286,1.23877,0.973995,58349.2,1.49568,30408.3,0.0533723,0.00575586,0.00447974,0,0,9999,9999,0,0
30,8.28763e+06,5.35478,24420,0.112582,0.00703807,0.00692619,1.24429,0.967504,9.49427e+06,5.53748,25703,0.126641,0.0105731,0.00899956,1.23877,0.973995,68753.3,6.04057,25352.9,0.137825,0.00903767,0.00807264,1.23877,0.973995,1.09767e+08,0.86999,7516.66,0.0430236,0.00681858,0.00459097,0,0,9999,9999,0,0
31,906615,9.78551,61035.9,0.304957,0.0041825,0.017065,1.24429,0.967504,633894,9.72292,60683.9,0.300046,0.00478732,0.0194212,1.23877,0.973995,233884,9.68299,55180.9,0.285021,0.00350943,0.015817,1.23877,0.973995,1.31307e+06,0.619632,20055,0.0614898,0.00383657,0.008881,0,0,142.563,5.063,1,1
32,2.05324e+06,6.0263,94553.1,0.0902332,0.0046503,0.0156768,1.24429,0.967504,3.66492e+06,6.00779,94113.4,0.0925102,0.00473861,0.0164424,1.23877,0.973995,66954,6.65462,76904.1,0.0786744,0.00314761,0.0134976,1.23877,0.973995,2.44657e+07,1.10552,32739,0.0267398,0.00438879,0.00833556,0,0,9999,6.408,0,1
33,1.24698e+06,10.1255,178962,0.324448,0.00378021,0.00606291,1.24429,0.967504,1.14852e+06,10.261,205135,0.340851,0.00332693,0.00593288,1.23877,0.973995,72502.5,11.1,151265,0.338475,0.00355119,0.00505756,1.23877,0.973995,8.0981e+06,1.27371,83636.4,0.0607822,0.00137442,0.00345462,0,0,30.538,16.913,1,1
34,2.53249e+07,18.2623,210614,0.282083,0.0100269,0.0041203,1.24429,0.967504,6.66598e+07,18.5627,251445,0.326065,0.00939749,0.00418389,1.23877,0.973995,431889,18.7797,238548,0.321483,0.00817852,0.00375545,1.23877,0.973995,4.24603e+08,1.28454,143249,0.134088,0.00595869,0.0020546,0,0,3.527,3.038,1,1
35,474469,9.0673,82956.8,0.342451,0.00700942,0.00610015,1.24429,0.967504,2.66824e+06,9.24289,98828,0.359068,0.00541445,0.00523628,1.23877,0.973995,54136.4,8.70906,95368.1,0.337031,0.00454293,0.00474327,1.23877,0.973995,1.87674e+07,1.38494,49673.2,0.0875774,0.00293326,0.00353009,0,0,9999,9999,0,0
36,1100.56,6.69636,43690,0.3258,0.00807187,0.00584433,1.24429,0.967504,1076.07,7.56026,69830.9,0.393792,0.00662868,0.00709847,1.23877,0.973995,636.054,7.56865,64778,0.345676,0.00452442,0.00595317,1.23877,0.973995,1509.15,1.12977,37585.7,0.183452,0.00479691,0.00454809,0,0,4.573,3.945,1,1
37,43143.2,9.64344,217941,0.103383,0.011629,0.00496795,1.24429,0.967504,53231.9,9.84173,258808,0.116969,0.0100465,0.00530247,1.23877,0.973995,38082.4,9.8281,247151,0.1265,0.00963049,0.00513287,1.23877,0.973995,67586.9,0.573781,105026,0.0405788,0.00529272,0.00288235,0,0,9999,9999,0,0
38,673957,7.44586,380662,0.237596,0.00546711,0.00568301,1.24429,0.967504,1.5646e+06,7.45143,401837,0.24549,0.006351,0.00682548,1.23877,0.973995,192982,7.46964,370582,0.236567,0.00462503,0.00546055,1.23877,0.973995,6.8586e+06,0.798801,198815,0.0719576,0.00333749,0.00401608,0,0,9999,9999,0,0
39,2.45943e+07,6.23297,249859,0.0932859,0.0102835,0.0050021,1.24429,0.967504,2.25307e+07,5.96215,246353,0.0888446,0.00941658,0.0058336,1.23877,0.973995,89524.8,7.136,226164,0.0984222,0.00896287,0.00443066,1.23877,0.973995,1.29444e+08,0.998551,81175.5,0.0304397,0.00542281,0.00337378,0,0,10.535,9.447,1,1
40,669886,12.4502,165235,0.406011,0.00657958,0.00539089,1.24429,0.967504,613087,12.4371,140749,0.386093,0.00547297,0.00481061,1.23877,0.973995,177652,12.3207,112964,0.364301,0.00515585,0.00467705,1.23877,0.973995,1.44136e+06,0.854189,76382.9,0.100697,0.0031378,0.00243586,0,0,9999,9999,0,0
41,45950.4,7.51053,327160,0.140303,0.0111977,0.00542563,1.24429,0.967504,35866.2,7.37064,273791,0.119938,0.0113358,0.00555332,1.23877,0.973995,23398.3,7.43584,319666,0.144916,0.00859228,0.00449924,1.23877,0.973995,54650.5,0.613185,123785,0.0447613,0.00689405,0.00335183,0,0,9999,9999,0,0
42,7.68888e+06,8.10094,177185,0.0678672,0.0107452,0.00491195,1.24429,0.967504,4.98853e+06,8.50415,178095,0.0751757,0.00819911,0.00605042,1.23877,0.973995,72502.6,9.09925,173539,0.0817162,0.00669629,0.00486218,1.23877,0.973995,3.2758e+07,2.22926,80338.1,0.0278022,0.00828895,0.00448259,0,0,9999,23.109,0,1
43,3.02593e+06,6.91329,415123,0.283037,0.0087347,0.00513254,1.24429,0.967504,1.86541e+06,6.98502,452171,0.307821,0.0103839,0.00678761,1.23877,0.973995,479013,6.95897,451377,0.297599,0.00758789,0.0060041,1.23877,0.973995,5.0336e+06,0.360401,203351,0.0953734,0.0061702,0.00324762,0,0,9999,9999,0,0
44,4934.56,9.64989,145174,0.161022,0.0138373,0.00701716,1.24429,0.967504,132351,9.01435,117416,0.130005,0.0130412,0.00526412,1.23877,0.973995,2598.65,9.15129,139659,0.160283,0.0109328,0.00564305,1.23877,0.973995,1.54715e+06,1.55868,66974.1,0.0808301,0.00898549,0.00343806,0,0,9999,9999,0,0
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