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  1. 7vgs_D_C_A_sample_1_rmsd.json +59 -0
  2. 7vgs_D_C_A_sample_1_rmsd_backbone.json +59 -0
  3. 7vgs_D_C_A_sample_2_rmsd.json +59 -0
  4. 7vgs_D_C_A_sample_3_rmsd.json +59 -0
  5. 7vgs_D_C_A_sample_4_rmsd_backbone.json +59 -0
  6. 7xic_K_L_B_sample_0_rmsd_backbone.json +59 -0
  7. 7xic_K_L_B_sample_2_rmsd_backbone.json +59 -0
  8. 7xic_K_L_B_sample_4_rmsd.json +59 -0
  9. 8e1m_H_L_C_sample_1_rmsd_backbone.json +59 -0
  10. 8e1m_H_L_C_sample_3_rmsd_backbone.json +59 -0
  11. 8euq_C_D_AB_sample_0_rmsd.json +59 -0
  12. 8euq_C_D_AB_sample_1_rmsd.json +59 -0
  13. 8euq_C_D_AB_sample_1_rmsd_backbone.json +59 -0
  14. 8euq_C_D_AB_sample_2_rmsd.json +59 -0
  15. 8euq_C_D_AB_sample_3_rmsd.json +59 -0
  16. 8euq_C_D_AB_sample_4_rmsd_backbone.json +59 -0
  17. 8q7o_A__C_sample_0_rmsd.json +39 -0
  18. 8q7o_A__C_sample_1_rmsd.json +39 -0
  19. 8q7o_A__C_sample_1_rmsd_backbone.json +39 -0
  20. 8q7o_A__C_sample_2_rmsd.json +39 -0
  21. 8q7o_A__C_sample_3_rmsd.json +39 -0
  22. 8q7o_A__C_sample_3_rmsd_backbone.json +39 -0
  23. 8q7o_A__C_sample_4_rmsd_backbone.json +39 -0
  24. 8q7s_F__D_sample_0_rmsd_backbone.json +39 -0
  25. 8q7s_F__D_sample_2_rmsd_backbone.json +39 -0
  26. 8q7s_F__D_sample_4_rmsd.json +39 -0
  27. 8q94_C__A_sample_4_rmsd_backbone.json +39 -0
  28. 8qf5_G__H_sample_2_rmsd_backbone.json +39 -0
  29. 8qf5_G__H_sample_4_rmsd.json +39 -0
  30. 8qot_B__A_sample_3_rmsd_backbone.json +39 -0
  31. 8qot_B__A_sample_4_rmsd.json +39 -0
  32. 8qot_B__A_sample_4_rmsd_backbone.json +39 -0
  33. 8qq0_E_D_A_sample_3_rmsd_backbone.json +59 -0
  34. 8qq0_E_D_A_sample_4_rmsd.json +59 -0
  35. 8qz1_C__B_sample_3_rmsd_backbone.json +39 -0
  36. 8qz3_C__B_sample_0_rmsd_backbone.json +39 -0
  37. 8qz3_C__B_sample_2_rmsd_backbone.json +39 -0
  38. 8qz3_C__B_sample_4_rmsd.json +39 -0
  39. 8qz6_B__A_sample_0_rmsd.json +39 -0
  40. 8qz6_B__A_sample_1_rmsd.json +39 -0
  41. 8qz6_B__A_sample_1_rmsd_backbone.json +39 -0
  42. 8qz6_B__A_sample_2_rmsd.json +39 -0
  43. 8qz6_B__A_sample_3_rmsd.json +39 -0
  44. 8qz6_B__A_sample_4_rmsd_backbone.json +39 -0
  45. 8qz7_B__A_sample_4_rmsd_backbone.json +39 -0
  46. 8r1c_H_L_A_sample_0_rmsd.json +59 -0
  47. 8r1c_H_L_A_sample_1_rmsd.json +59 -0
  48. 8r1c_H_L_A_sample_1_rmsd_backbone.json +59 -0
  49. 8r1c_H_L_A_sample_2_rmsd.json +59 -0
  50. 8r1c_H_L_A_sample_3_rmsd.json +59 -0
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