*HEADER    PLANT PROTEIN                           21-DEC-20   7L54              
*TITLE     SOLUTION NMR STRUCTURE OF THE CYCLIC PLANT PROTEIN PDP-23 IN SDS      
*TITLE    2 MICELLES                                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYCLIC PLANT PROTEIN PDP-23;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: ZINNIA ELEGANS;                                 
*SOURCE   4 ORGANISM_TAXID: 34245                                                
*KEYWDS    MACROCYCLIC PEPTIDE, PAWS DERIVED PEPTIDE, PLANT PROTEIN              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    K.J.ROSENGREN,C.D.PAYNE                                               
*REVDAT   1   20-JAN-21 7L54    0                                                
# Restraints file 1: PDP-23_SDS_restraints.tbl
!Dihedral restraints from TALOS-N
assign (resid 4     and name C    ) (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    )    1.0   53.2   20.0 2
assign (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    ) (resid 6     and name N    )    1.0   43.8   20.0 2
assign (resid 5     and name C    ) (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    )    1.0   68.1   20.0 2
assign (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    ) (resid 7     and name N    )    1.0   16.6   20.0 2
assign (resid 18     and name C   ) (resid 19     and name N   ) (resid 19     and name CA  ) (resid 19    and name C    )    1.0   -100   80.0 2

!Hydrogen bond restraints from HN temperature coefficients and preliminary calculations
assign (resid 2     and name HN   ) (resid 9     and name O    )    2.30    2.30    0.00
assign (resid 2     and name N    ) (resid 9     and name O    )    3.30    3.30    0.00
assign (resid 4     and name HN   ) (resid 7     and name O    )    2.30    2.30    0.00
assign (resid 4     and name N    ) (resid 7     and name O    )    3.30    3.30    0.00
assign (resid 7     and name HN   ) (resid 4     and name O    )    2.30    2.30    0.00
assign (resid 7     and name N    ) (resid 4     and name O    )    3.30    3.30    0.00
assign (resid 9     and name HN   ) (resid 2     and name O    )    2.30    2.30    0.00
assign (resid 9     and name N    ) (resid 2     and name O    )    3.30    3.30    0.00
assign (resid 15    and name HN   ) (resid 24    and name O    )    2.30    2.30    0.00
assign (resid 15    and name N    ) (resid 24    and name O    )    3.30    3.30    0.00
assign (resid 16    and name HN   ) (resid 16    and name OD2  )    2.30    2.30    0.00
assign (resid 16    and name N    ) (resid 16    and name OD2  )    3.30    3.30    0.00
assign (resid 21    and name HN   ) (resid 18    and name O    )    2.30    2.30    0.00
assign (resid 21    and name H    ) (resid 18    and name O    )    3.30    3.30    0.00
assign (resid 22    and name HN   ) (resid 17    and name O    )    2.30    2.30    0.00
assign (resid 22    and name N    ) (resid 17    and name O    )    3.30    3.30    0.00
assign (resid 15    and name O    ) (resid 24    and name HN   )    2.30    2.30    0.00
assign (resid 15    and name O    ) (resid 24    and name N    )    3.30    3.30    0.00
assign (resid 13    and name O    ) (resid 26    and name HN   )    2.30    2.30    0.00
assign (resid 13    and name O    ) (resid 26    and name N    )    3.30    3.30    0.00

!Inter-proton distance restraints from CYANA 3.98.5
assign (resid 2     and name HA   ) (resid 3     and name HN   )    3.16    3.16    0.00
assign (resid 2     and name HB2  ) (resid 3     and name HN   )    4.19    4.19    0.00
assign (resid 4     and name HN   ) (resid 4     and name HB1  )    4.21    4.21    0.00
assign (resid 4     and name HB2  ) (resid 5     and name HN   )    4.50    4.50    0.00
assign (resid 7     and name HN   ) (resid 7     and name HB2  )    3.83    3.83    0.00
assign (resid 7     and name HN   ) (resid 7     and name HB1  )    3.83    3.83    0.00
assign (resid 8     and name HN   ) (resid 8     and name QB   )    3.20    3.20    0.00
assign (resid 7     and name HA   ) (resid 8     and name HN   )    2.91    2.91    0.00
assign (resid 7     and name HB2  ) (resid 8     and name HN   )    4.62    4.62    0.00
assign (resid 7     and name HB1  ) (resid 8     and name HN   )    4.62    4.62    0.00
assign (resid 3     and name HA   ) (resid 4     and name HN   )    3.39    3.39    0.00
assign (resid 9     and name HA   ) (resid 10    and name HD2  )    3.20    3.20    0.00
assign (resid 9     and name HA   ) (resid 10    and name HD1  )    3.20    3.20    0.00
assign (resid 10    and name HA   ) (resid 11    and name HN   )    2.92    2.92    0.00
assign (resid 11    and name HN   ) (resid 11    and name HB1  )    3.71    3.71    0.00
assign (resid 10    and name HB2  ) (resid 11    and name HN   )    3.95    3.95    0.00
assign (resid 10    and name HB1  ) (resid 11    and name HN   )    3.95    3.95    0.00
assign (resid 11    and name HB1  ) (resid 12    and name HN   )    4.69    4.69    0.00
assign (resid 11    and name HA   ) (resid 12    and name HN   )    3.14    3.14    0.00
assign (resid 13    and name HN   ) (resid 13    and name QG2  )    4.54    4.54    0.00
assign (resid 14    and name HN   ) (resid 14    and name HB2  )    3.97    3.97    0.00
assign (resid 14    and name HN   ) (resid 14    and name HB1  )    3.97    3.97    0.00
assign (resid 13    and name QG2  ) (resid 14    and name HN   )    3.62    3.62    0.00
assign (resid 13    and name HB   ) (resid 14    and name HN   )    4.86    4.86    0.00
assign (resid 13    and name HA   ) (resid 14    and name HN   )    3.52    3.52    0.00
assign (resid 15    and name HN   ) (resid 15    and name QB   )    3.65    3.65    0.00
assign (resid 14    and name HB1  ) (resid 15    and name HN   )    4.68    4.68    0.00
assign (resid 14    and name HB2  ) (resid 15    and name HN   )    4.68    4.68    0.00
assign (resid 16    and name HN   ) (resid 16    and name HB2  )    3.90    3.90    0.00
assign (resid 16    and name HN   ) (resid 16    and name HB1  )    3.90    3.90    0.00
assign (resid 15    and name HA   ) (resid 16    and name HN   )    2.91    2.91    0.00
assign (resid 15    and name QB   ) (resid 16    and name HN   )    3.16    3.16    0.00
assign (resid 17    and name HN   ) (resid 17    and name HB2  )    3.99    3.99    0.00
assign (resid 17    and name HN   ) (resid 17    and name HB1  )    3.99    3.99    0.00
assign (resid 16    and name HB1  ) (resid 17    and name HN   )    5.19    5.19    0.00
assign (resid 16    and name HB2  ) (resid 17    and name HN   )    5.19    5.19    0.00
assign (resid 16    and name HA   ) (resid 17    and name HN   )    3.22    3.22    0.00
assign (resid 16    and name HA   ) (resid 17    and name QD   )    4.74    4.74    0.00
assign (resid 17    and name HA   ) (resid 17    and name QD   )    3.54    3.54    0.00
assign (resid 17    and name HA   ) (resid 18    and name HD2  )    3.66    3.66    0.00
assign (resid 17    and name HA   ) (resid 18    and name HD1  )    3.66    3.66    0.00
assign (resid 19    and name HB1  ) (resid 19    and name HE3  )    4.02    4.02    0.00
assign (resid 19    and name HB2  ) (resid 19    and name HE3  )    4.02    4.02    0.00
assign (resid 19    and name HA   ) (resid 19    and name HE3  )    5.21    5.21    0.00
assign (resid 19    and name HA   ) (resid 19    and name HD1  )    3.73    3.73    0.00
assign (resid 19    and name HA   ) (resid 20    and name HA   )    3.23    3.23    0.00
assign (resid 19    and name HA   ) (resid 20    and name QD   )    4.60    4.60    0.00
assign (resid 23    and name QB   ) (resid 23    and name HD2  )    3.37    3.37    0.00
assign (resid 23    and name HA   ) (resid 23    and name HD2  )    4.22    4.22    0.00
assign (resid 23    and name HD2  ) (resid 24    and name HN   )    5.46    5.46    0.00
assign (resid 23    and name HA   ) (resid 24    and name HN   )    3.18    3.18    0.00
assign (resid 24    and name HN   ) (resid 24    and name HB1  )    4.19    4.19    0.00
assign (resid 25    and name HN   ) (resid 25    and name QB   )    3.33    3.33    0.00
assign (resid 24    and name HA   ) (resid 25    and name HN   )    3.05    3.05    0.00
assign (resid 24    and name HG2  ) (resid 25    and name HN   )    5.46    5.46    0.00
assign (resid 24    and name HG1  ) (resid 25    and name HN   )    5.46    5.46    0.00
assign (resid 26    and name HN   ) (resid 26    and name HB1  )    4.07    4.07    0.00
assign (resid 26    and name HN   ) (resid 26    and name HB2  )    4.07    4.07    0.00
assign (resid 25    and name QB   ) (resid 26    and name HN   )    3.42    3.42    0.00
assign (resid 25    and name HA   ) (resid 26    and name HN   )    3.29    3.29    0.00
assign (resid 14    and name HA   ) (resid 26    and name HN   )    3.97    3.97    0.00
assign (resid 1     and name HN   ) (resid 26    and name HB2  )    5.35    5.35    0.00
assign (resid 1     and name HN   ) (resid 26    and name HB1  )    5.35    5.35    0.00
assign (resid 1     and name HN   ) (resid 28    and name QB   )    3.86    3.86    0.00
assign (resid 25    and name HA   ) (resid 26    and name QD   )    4.48    4.48    0.00
assign (resid 14    and name HA   ) (resid 25    and name HA   )    3.57    3.57    0.00
assign (resid 26    and name HA   ) (resid 27    and name HD2  )    3.29    3.29    0.00
assign (resid 26    and name HA   ) (resid 27    and name HD1  )    3.29    3.29    0.00
assign (resid 28    and name HN   ) (resid 28    and name QB   )    3.13    3.13    0.00
assign (resid 27    and name HB1  ) (resid 28    and name HN   )    4.35    4.35    0.00
assign (resid 27    and name HG1  ) (resid 28    and name HN   )    4.62    4.62    0.00
assign (resid 27    and name HG2  ) (resid 28    and name HN   )    4.62    4.62    0.00
assign (resid 27    and name HB2  ) (resid 28    and name HN   )    4.35    4.35    0.00
assign (resid 27    and name HD1  ) (resid 28    and name HN   )    4.41    4.41    0.00
assign (resid 27    and name HD2  ) (resid 28    and name HN   )    4.41    4.41    0.00
assign (resid 1     and name HN   ) (resid 28    and name HA   )    3.56    3.56    0.00
assign (resid 1     and name HN   ) (resid 11    and name HB2  )    5.50    5.50    0.00
assign (resid 1     and name HN   ) (resid 11    and name HA   )    4.32    4.32    0.00
assign (resid 1     and name HA2  ) (resid 9     and name HN   )    5.50    5.50    0.00
assign (resid 1     and name HA2  ) (resid 11    and name HN   )    5.50    5.50    0.00
assign (resid 4     and name HA   ) (resid 5     and name HN   )    3.03    3.03    0.00
assign (resid 2     and name HN   ) (resid 9     and name HB   )    4.53    4.53    0.00
assign (resid 1     and name HA1  ) (resid 9     and name HN   )    5.50    5.50    0.00
assign (resid 1     and name HA1  ) (resid 11    and name HN   )    5.50    5.50    0.00
assign (resid 1     and name HN   ) (resid 28    and name HN   )    4.05    4.05    0.00
assign (resid 4     and name HE3  ) (resid 5     and name HN   )    5.50    5.50    0.00
assign (resid 3     and name HN   ) (resid 4     and name HN   )    5.39    5.39    0.00
assign (resid 13    and name QG2  ) (resid 26    and name QD   )    3.45    3.45    0.00
assign (resid 3     and name HA   ) (resid 7     and name HN   )    5.26    5.26    0.00
assign (resid 7     and name HN   ) (resid 8     and name HA   )    5.50    5.50    0.00
assign (resid 6     and name HN   ) (resid 7     and name HN   )    3.60    3.60    0.00
assign (resid 4     and name HN   ) (resid 7     and name HN   )    4.73    4.73    0.00
assign (resid 7     and name HN   ) (resid 8     and name HN   )    4.78    4.78    0.00
assign (resid 2     and name HN   ) (resid 9     and name HN   )    4.41    4.41    0.00
assign (resid 17    and name HN   ) (resid 17    and name QD   )    4.02    4.02    0.00
assign (resid 26    and name HN   ) (resid 26    and name QD   )    3.84    3.84    0.00
assign (resid 17    and name QD   ) (resid 24    and name HN   )    5.13    5.13    0.00
assign (resid 12    and name HN   ) (resid 13    and name HN   )    4.26    4.26    0.00
assign (resid 21    and name HN   ) (resid 22    and name HN   )    4.21    4.21    0.00
assign (resid 15    and name HN   ) (resid 24    and name HN   )    4.61    4.61    0.00
assign (resid 13    and name HN   ) (resid 14    and name HN   )    5.41    5.41    0.00
assign (resid 1     and name HN   ) (resid 12    and name HN   )    5.50    5.50    0.00
assign (resid 17    and name QD   ) (resid 18    and name HD1  )    4.75    4.75    0.00
assign (resid 17    and name QD   ) (resid 18    and name HD2  )    4.75    4.75    0.00
assign (resid 21    and name HN   ) (resid 21    and name QD1  )    4.65    4.65    0.00
assign (resid 21    and name HN   ) (resid 21    and name QD2  )    4.65    4.65    0.00
assign (resid 21    and name HN   ) (resid 21    and name HB2  )    3.88    3.88    0.00
assign (resid 21    and name HN   ) (resid 21    and name HG   )    4.37    4.37    0.00
assign (resid 21    and name HN   ) (resid 21    and name HB1  )    3.88    3.88    0.00
assign (resid 17    and name HA   ) (resid 17    and name QE   )    4.72    4.72    0.00
assign (resid 15    and name QB   ) (resid 17    and name QD   )    3.97    3.97    0.00
assign (resid 15    and name QB   ) (resid 26    and name QD   )    5.50    5.50    0.00
assign (resid 15    and name QB   ) (resid 26    and name QE   )    4.47    4.47    0.00
assign (resid 2     and name HA   ) (resid 2     and name QD   )    3.78    3.78    0.00
assign (resid 15    and name HN   ) (resid 16    and name HN   )    5.50    5.50    0.00
assign (resid 17    and name HN   ) (resid 24    and name HN   )    4.43    4.43    0.00
assign (resid 2     and name QD   ) (resid 3     and name HN   )    4.14    4.14    0.00
assign (resid 15    and name QB   ) (resid 24    and name HN   )    5.33    5.33    0.00
assign (resid 17    and name QD   ) (resid 21    and name QD2  )    4.16    4.16    0.00
assign (resid 17    and name QE   ) (resid 21    and name QD2  )    5.50    5.50    0.00
assign (resid 2     and name QD   ) (resid 9     and name HB   )    4.67    4.67    0.00
assign (resid 13    and name QG2  ) (resid 26    and name QE   )    3.94    3.94    0.00
assign (resid 9     and name HN   ) (resid 9     and name HB   )    3.72    3.72    0.00
assign (resid 2     and name QD   ) (resid 9     and name HN   )    5.50    5.50    0.00
assign (resid 19    and name HD1  ) (resid 20    and name HB1  )    5.50    5.50    0.00
assign (resid 17    and name QD   ) (resid 21    and name QD1  )    4.16    4.16    0.00
assign (resid 17    and name QE   ) (resid 24    and name HG1  )    5.11    5.11    0.00
assign (resid 17    and name QD   ) (resid 24    and name HG1  )    4.55    4.55    0.00
assign (resid 17    and name QD   ) (resid 24    and name HG2  )    4.55    4.55    0.00
assign (resid 17    and name QE   ) (resid 24    and name HB1  )    3.99    3.99    0.00
assign (resid 19    and name HA   ) (resid 22    and name HN   )    5.50    5.50    0.00
assign (resid 13    and name HB   ) (resid 26    and name QD   )    4.73    4.73    0.00
assign (resid 26    and name QD   ) (resid 27    and name HD2  )    4.32    4.32    0.00
assign (resid 26    and name QD   ) (resid 27    and name HD1  )    4.32    4.32    0.00
assign (resid 4     and name HA   ) (resid 4     and name HD1  )    4.14    4.14    0.00
assign (resid 15    and name HN   ) (resid 25    and name HA   )    4.13    4.13    0.00
assign (resid 23    and name QB   ) (resid 24    and name HN   )    3.86    3.86    0.00
assign (resid 13    and name HA   ) (resid 13    and name QG2  )    3.29    3.29    0.00
assign (resid 19    and name HA   ) (resid 21    and name HN   )    3.79    3.79    0.00
assign (resid 21    and name HA   ) (resid 21    and name QD1  )    3.96    3.96    0.00
assign (resid 22    and name HA2  ) (resid 23    and name QB   )    4.58    4.58    0.00
assign (resid 28    and name HA   ) (resid 28    and name QB   )    2.90    2.90    0.00
assign (resid 2     and name QD   ) (resid 3     and name HA   )    4.79    4.79    0.00
assign (resid 13    and name HB   ) (resid 26    and name QE   )    5.16    5.16    0.00
assign (resid 4     and name HN   ) (resid 4     and name HB2  )    4.21    4.21    0.00
assign (resid 2     and name QE   ) (resid 4     and name HB2  )    5.33    5.33    0.00
assign (resid 4     and name HB1  ) (resid 5     and name HN   )    4.50    4.50    0.00
assign (resid 6     and name HB1  ) (resid 7     and name HN   )    4.59    4.59    0.00
assign (resid 6     and name HB2  ) (resid 7     and name HN   )    4.59    4.59    0.00
assign (resid 11    and name HB2  ) (resid 12    and name HN   )    4.69    4.69    0.00
assign (resid 11    and name HN   ) (resid 11    and name HB2  )    3.71    3.71    0.00
assign (resid 1     and name HN   ) (resid 11    and name HB1  )    5.50    5.50    0.00
assign (resid 6     and name HA   ) (resid 6     and name HD2  )    4.33    4.33    0.00
assign (resid 21    and name HA   ) (resid 21    and name QD2  )    3.96    3.96    0.00
assign (resid 23    and name HN   ) (resid 23    and name QB   )    3.17    3.17    0.00
assign (resid 19    and name HN   ) (resid 20    and name QD   )    5.50    5.50    0.00
assign (resid 4     and name HB2  ) (resid 7     and name HN   )    5.50    5.50    0.00
assign (resid 4     and name HB1  ) (resid 7     and name HN   )    5.50    5.50    0.00
assign (resid 8     and name HA   ) (resid 9     and name HN   )    3.08    3.08    0.00
assign (resid 9     and name HN   ) (resid 9     and name QG1  )    4.04    4.04    0.00
assign (resid 9     and name HN   ) (resid 9     and name QG2  )    4.04    4.04    0.00
assign (resid 8     and name QB   ) (resid 9     and name HN   )    3.78    3.78    0.00
assign (resid 17    and name HN   ) (resid 23    and name HA   )    3.90    3.90    0.00
assign (resid 5     and name HN   ) (resid 5     and name HD2  )    4.58    4.58    0.00
assign (resid 4     and name HD1  ) (resid 5     and name HB2  )    5.50    5.50    0.00
assign (resid 4     and name HD1  ) (resid 5     and name HB1  )    5.50    5.50    0.00
assign (resid 5     and name HD2  ) (resid 6     and name HN   )    5.50    5.50    0.00
assign (resid 5     and name HA   ) (resid 5     and name HD2  )    4.64    4.64    0.00
assign (resid 4     and name HA   ) (resid 5     and name HD2  )    5.19    5.19    0.00
assign (resid 2     and name HB1  ) (resid 3     and name HN   )    4.19    4.19    0.00
assign (resid 8     and name HA   ) (resid 8     and name QB   )    2.93    2.93    0.00
assign (resid 9     and name HA   ) (resid 9     and name QG1  )    3.51    3.51    0.00
assign (resid 9     and name HA   ) (resid 9     and name QG2  )    3.51    3.51    0.00
assign (resid 2     and name QD   ) (resid 9     and name QG1  )    4.44    4.44    0.00
assign (resid 2     and name QD   ) (resid 9     and name QG2  )    4.44    4.44    0.00
assign (resid 2     and name QE   ) (resid 9     and name QG2  )    4.65    4.65    0.00
assign (resid 2     and name QE   ) (resid 9     and name QG1  )    4.65    4.65    0.00
assign (resid 17    and name QD   ) (resid 17    and name HZ   )    3.95    3.95    0.00
assign (resid 17    and name QE   ) (resid 24    and name HG2  )    5.11    5.11    0.00
assign (resid 17    and name QE   ) (resid 24    and name HB2  )    3.99    3.99    0.00
assign (resid 17    and name QD   ) (resid 21    and name HB2  )    4.60    4.60    0.00
assign (resid 17    and name QD   ) (resid 21    and name HB1  )    4.60    4.60    0.00
assign (resid 17    and name HZ   ) (resid 24    and name HB2  )    5.50    5.50    0.00
assign (resid 17    and name HZ   ) (resid 24    and name HB1  )    5.50    5.50    0.00
assign (resid 15    and name QB   ) (resid 17    and name HZ   )    3.60    3.60    0.00
assign (resid 15    and name QB   ) (resid 17    and name QE   )    3.53    3.53    0.00
assign (resid 17    and name QE   ) (resid 21    and name QD1  )    5.50    5.50    0.00
assign (resid 2     and name HN   ) (resid 9     and name QG1  )    4.77    4.77    0.00
assign (resid 17    and name QE   ) (resid 23    and name HA   )    5.50    5.50    0.00
assign (resid 17    and name QD   ) (resid 23    and name HA   )    5.25    5.25    0.00
assign (resid 17    and name HB1  ) (resid 21    and name QD1  )    5.18    5.18    0.00
assign (resid 17    and name HB1  ) (resid 21    and name QD2  )    5.18    5.18    0.00
assign (resid 17    and name HB2  ) (resid 21    and name QD2  )    5.18    5.18    0.00
assign (resid 17    and name HB2  ) (resid 21    and name QD1  )    5.18    5.18    0.00
assign (resid 17    and name HB2  ) (resid 21    and name HB2  )    4.39    4.39    0.00
assign (resid 17    and name HB1  ) (resid 21    and name HB2  )    4.39    4.39    0.00
assign (resid 17    and name HB1  ) (resid 21    and name HB1  )    4.39    4.39    0.00
assign (resid 17    and name HB2  ) (resid 21    and name HB1  )    4.39    4.39    0.00
assign (resid 24    and name HN   ) (resid 24    and name HB2  )    4.19    4.19    0.00
assign (resid 26    and name HA   ) (resid 26    and name QD   )    3.55    3.55    0.00
assign (resid 25    and name QB   ) (resid 26    and name QD   )    4.92    4.92    0.00
assign (resid 9     and name QG1  ) (resid 26    and name QD   )    4.51    4.51    0.00
assign (resid 9     and name QG2  ) (resid 26    and name QD   )    4.51    4.51    0.00
assign (resid 26    and name HA   ) (resid 26    and name QE   )    4.99    4.99    0.00
assign (resid 9     and name QG1  ) (resid 10    and name HD1  )    4.90    4.90    0.00
assign (resid 9     and name QG2  ) (resid 10    and name HD1  )    4.90    4.90    0.00
assign (resid 9     and name QG2  ) (resid 10    and name HD2  )    4.90    4.90    0.00
assign (resid 9     and name QG1  ) (resid 10    and name HD2  )    4.90    4.90    0.00
assign (resid 14    and name HN   ) (resid 15    and name HN   )    4.66    4.66    0.00
assign (resid 12    and name HN   ) (resid 13    and name QG2  )    5.50    5.50    0.00
assign (resid 12    and name HN   ) (resid 14    and name HN   )    5.50    5.50    0.00
assign (resid 16    and name HA   ) (resid 24    and name HN   )    4.07    4.07    0.00
assign (resid 4     and name HD1  ) (resid 5     and name HN   )    5.50    5.50    0.00
assign (resid 13    and name QG2  ) (resid 26    and name HN   )    4.79    4.79    0.00
assign (resid 16    and name HA   ) (resid 23    and name HD2  )    4.35    4.35    0.00
assign (resid 2     and name QD   ) (resid 4     and name HA   )    5.21    5.21    0.00
assign (resid 9     and name QG2  ) (resid 26    and name QE   )    4.61    4.61    0.00
assign (resid 9     and name QG1  ) (resid 26    and name QE   )    4.61    4.61    0.00
assign (resid 2     and name HN   ) (resid 9     and name QG2  )    4.77    4.77    0.00
assign (resid 16    and name HA   ) (resid 23    and name HA   )    4.83    4.83    0.00
assign (resid 4     and name HZ3  ) (resid 5     and name HD2  )    5.50    5.50    0.00
assign (resid 4     and name HH2  ) (resid 5     and name HD2  )    5.50    5.50    0.00
assign (resid 4     and name HD1  ) (resid 5     and name HD2  )    5.50    5.50    0.00
assign (resid 4     and name HZ2  ) (resid 5     and name HD2  )    5.50    5.50    0.00
assign (resid 4     and name HZ3  ) (resid 5     and name HE1  )    5.50    5.50    0.00
assign (resid 4     and name HH2  ) (resid 5     and name HE1  )    5.50    5.50    0.00
assign (resid 4     and name HZ2  ) (resid 5     and name HE1  )    5.50    5.50    0.00
assign (resid 4     and name HN   ) (resid 9     and name HN   )    5.23    5.23    0.00
assign (resid 6     and name HN   ) (resid 7     and name HA   )    5.49    5.49    0.00
assign (resid 5     and name HN   ) (resid 7     and name HN   )    5.31    5.31    0.00
assign (resid 6     and name HN   ) (resid 6     and name HD2  )    5.36    5.36    0.00
assign (resid 2     and name HN   ) (resid 2     and name QD   )    4.64    4.64    0.00
assign (resid 20    and name QD   ) (resid 21    and name HN   )    3.87    3.87    0.00
assign (resid 19    and name HD1  ) (resid 20    and name HA   )    3.65    3.65    0.00
assign (resid 19    and name HD1  ) (resid 20    and name QD   )    4.90    4.90    0.00
assign (resid 19    and name HD1  ) (resid 20    and name HB2  )    5.50    5.50    0.00
assign (resid 19    and name HD1  ) (resid 20    and name HG1  )    5.50    5.50    0.00
assign (resid 19    and name HD1  ) (resid 20    and name HG2  )    5.50    5.50    0.00
assign (resid 17    and name QE   ) (resid 24    and name HA   )    5.33    5.33    0.00
assign (resid 25    and name QB   ) (resid 26    and name QE   )    5.50    5.50    0.00
assign (resid 22    and name HA1  ) (resid 23    and name QB   )    4.58    4.58    0.00
assign (resid 16    and name HA   ) (resid 23    and name QB   )    4.06    4.06    0.00
assign (resid 4     and name HA   ) (resid 5     and name HA   )    4.63    4.63    0.00
assign (resid 9     and name QG1  ) (resid 13    and name QG2  )    4.54    4.54    0.00
assign (resid 9     and name QG2  ) (resid 13    and name QG2  )    4.54    4.54    0.00
assign (resid 26    and name QD   ) (resid 26    and name HZ   )    4.17    4.17    0.00
assign (resid 15    and name QB   ) (resid 26    and name HZ   )    5.50    5.50    0.00
assign (resid 13    and name QG2  ) (resid 26    and name HZ   )    4.81    4.81    0.00
assign (resid 2     and name QE   ) (resid 4     and name HB1  )    5.33    5.33    0.00
assign (resid 1     and name HN   ) (resid 26    and name QB   )    4.68    4.68    0.00
assign (resid 1     and name QA   ) (resid 2     and name QD   )    4.10    4.10    0.00
assign (resid 1     and name QA   ) (resid 11    and name HA   )    4.38    4.38    0.00
assign (resid 2     and name HN   ) (resid 2     and name QB   )    3.55    3.55    0.00
assign (resid 2     and name HN   ) (resid 9     and name QQG  )    4.06    4.06    0.00
assign (resid 2     and name QB   ) (resid 3     and name HN   )    3.63    3.63    0.00
assign (resid 2     and name QD   ) (resid 4     and name QB   )    3.73    3.73    0.00
assign (resid 2     and name QD   ) (resid 9     and name QQG  )    3.80    3.80    0.00
assign (resid 2     and name QE   ) (resid 9     and name QQG  )    3.84    3.84    0.00
assign (resid 2     and name QE   ) (resid 26    and name QB   )    5.34    5.34    0.00
assign (resid 3     and name HN   ) (resid 3     and name QB   )    3.49    3.49    0.00
assign (resid 3     and name HA   ) (resid 9     and name QQG  )    5.44    5.44    0.00
assign (resid 3     and name QB   ) (resid 4     and name HN   )    3.62    3.62    0.00
assign (resid 4     and name HN   ) (resid 4     and name QB   )    3.63    3.63    0.00
assign (resid 4     and name QB   ) (resid 4     and name HE3  )    3.46    3.46    0.00
assign (resid 4     and name QB   ) (resid 5     and name HN   )    3.96    3.96    0.00
assign (resid 4     and name QB   ) (resid 5     and name HA   )    5.34    5.34    0.00
assign (resid 4     and name HD1  ) (resid 5     and name QB   )    4.83    4.83    0.00
assign (resid 4     and name HE3  ) (resid 5     and name QB   )    5.15    5.15    0.00
assign (resid 4     and name HZ3  ) (resid 5     and name QB   )    5.34    5.34    0.00
assign (resid 5     and name QB   ) (resid 7     and name HN   )    4.55    4.55    0.00
assign (resid 5     and name QB   ) (resid 6     and name HN   )    3.80    3.80    0.00
assign (resid 6     and name HN   ) (resid 6     and name QB   )    3.52    3.52    0.00
assign (resid 6     and name QB   ) (resid 7     and name QB   )    5.18    5.18    0.00
assign (resid 7     and name HN   ) (resid 7     and name QB   )    3.15    3.15    0.00
assign (resid 7     and name QB   ) (resid 8     and name HN   )    4.03    4.03    0.00
assign (resid 8     and name HA   ) (resid 9     and name QQG  )    5.44    5.44    0.00
assign (resid 9     and name HN   ) (resid 9     and name QQG  )    3.38    3.38    0.00
assign (resid 9     and name HN   ) (resid 10    and name QD   )    4.97    4.97    0.00
assign (resid 9     and name HA   ) (resid 10    and name QG   )    4.50    4.50    0.00
assign (resid 9     and name QQG  ) (resid 10    and name QD   )    3.31    3.31    0.00
assign (resid 9     and name QQG  ) (resid 13    and name HN   )    5.41    5.41    0.00
assign (resid 9     and name QQG  ) (resid 13    and name HB   )    5.44    5.44    0.00
assign (resid 9     and name QQG  ) (resid 13    and name QG2  )    3.27    3.27    0.00
assign (resid 9     and name QQG  ) (resid 26    and name QB   )    4.58    4.58    0.00
assign (resid 9     and name QQG  ) (resid 26    and name QD   )    3.60    3.60    0.00
assign (resid 9     and name QQG  ) (resid 26    and name QE   )    3.89    3.89    0.00
assign (resid 9     and name QQG  ) (resid 26    and name HZ   )    5.44    5.44    0.00
assign (resid 10    and name QB   ) (resid 11    and name HN   )    3.42    3.42    0.00
assign (resid 10    and name QB   ) (resid 11    and name QB   )    4.77    4.77    0.00
assign (resid 10    and name QG   ) (resid 11    and name HN   )    4.56    4.56    0.00
assign (resid 11    and name HN   ) (resid 11    and name QB   )    3.23    3.23    0.00
assign (resid 14    and name QB   ) (resid 15    and name HN   )    4.01    4.01    0.00
assign (resid 16    and name HN   ) (resid 16    and name QB   )    3.17    3.17    0.00
assign (resid 16    and name QB   ) (resid 17    and name HN   )    4.34    4.34    0.00
assign (resid 17    and name HN   ) (resid 17    and name QB   )    3.34    3.34    0.00
assign (resid 17    and name HN   ) (resid 18    and name QD   )    4.49    4.49    0.00
assign (resid 17    and name HN   ) (resid 21    and name QB   )    5.12    5.12    0.00
assign (resid 17    and name HA   ) (resid 18    and name QD   )    3.06    3.06    0.00
assign (resid 17    and name QB   ) (resid 18    and name QD   )    4.28    4.28    0.00
assign (resid 17    and name QB   ) (resid 21    and name HA   )    5.34    5.34    0.00
assign (resid 17    and name QB   ) (resid 21    and name QB   )    3.22    3.22    0.00
assign (resid 17    and name QB   ) (resid 21    and name QQD  )    3.70    3.70    0.00
assign (resid 17    and name QD   ) (resid 18    and name QD   )    3.90    3.90    0.00
assign (resid 17    and name QD   ) (resid 21    and name QB   )    3.87    3.87    0.00
assign (resid 17    and name QD   ) (resid 24    and name QB   )    3.55    3.55    0.00
assign (resid 17    and name QD   ) (resid 24    and name QG   )    3.77    3.77    0.00
assign (resid 17    and name QE   ) (resid 21    and name QQD  )    4.48    4.48    0.00
assign (resid 17    and name QE   ) (resid 24    and name QB   )    3.46    3.46    0.00
assign (resid 17    and name QE   ) (resid 24    and name QG   )    4.34    4.34    0.00
assign (resid 17    and name HZ   ) (resid 24    and name QB   )    4.70    4.70    0.00
assign (resid 19    and name QB   ) (resid 19    and name HD1  )    3.21    3.21    0.00
assign (resid 19    and name QB   ) (resid 19    and name HE3  )    3.30    3.30    0.00
assign (resid 19    and name HD1  ) (resid 20    and name QB   )    4.80    4.80    0.00
assign (resid 19    and name HE1  ) (resid 20    and name QB   )    5.05    5.05    0.00
assign (resid 20    and name QD   ) (resid 21    and name QQD  )    5.44    5.44    0.00
assign (resid 21    and name HN   ) (resid 21    and name QQD  )    4.04    4.04    0.00
assign (resid 21    and name HA   ) (resid 21    and name QQD  )    3.18    3.18    0.00
assign (resid 21    and name QB   ) (resid 21    and name QQD  )    2.84    2.84    0.00
assign (resid 21    and name QQD  ) (resid 24    and name QG   )    4.71    4.71    0.00
assign (resid 22    and name QA   ) (resid 23    and name HN   )    3.12    3.12    0.00
assign (resid 22    and name QA   ) (resid 23    and name QB   )    3.87    3.87    0.00
assign (resid 24    and name HN   ) (resid 24    and name QB   )    3.67    3.67    0.00
assign (resid 24    and name HN   ) (resid 24    and name QG   )    4.04    4.04    0.00
assign (resid 24    and name QB   ) (resid 25    and name HN   )    3.68    3.68    0.00
assign (resid 24    and name QG   ) (resid 25    and name HN   )    4.60    4.60    0.00
assign (resid 26    and name QD   ) (resid 27    and name QD   )    3.68    3.68    0.00
assign (resid 26    and name QE   ) (resid 27    and name QD   )    5.35    5.35    0.00
assign (resid 27    and name QB   ) (resid 28    and name HN   )    3.58    3.58    0.00
assign (resid 27    and name QG   ) (resid 28    and name HN   )    4.03    4.03    0.00
assign (resid 27    and name QD   ) (resid 28    and name HN   )    3.76    3.76    0.00
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HN       GLY   1  -6.880  -5.902   0.423
    2    HA2  GLY   1           HA2      GLY   1  -5.142  -3.643   0.899
    3    HA3  GLY   1           HA1      GLY   1  -5.692  -4.234  -0.657
    4    H    PHE   2           HN       PHE   2  -5.740  -1.796  -0.783
    5    HA   PHE   2           HA       PHE   2  -8.469  -0.925  -0.409
    6    HB2  PHE   2           HB2      PHE   2  -7.861   1.173   0.690
    7    HB3  PHE   2           HB1      PHE   2  -7.287  -0.170   1.664
    8    HD1  PHE   2           HD1      PHE   2  -6.403   2.824  -0.124
    9    HD2  PHE   2           HD2      PHE   2  -4.812  -0.730   1.604
   10    HE1  PHE   2           HE1      PHE   2  -4.164   3.828  -0.131
   11    HE2  PHE   2           HE2      PHE   2  -2.572   0.273   1.600
   12    HZ   PHE   2           HZ       PHE   2  -2.243   2.557   0.733
   13    H    CYS   3           HN       CYS   3  -8.837   1.078  -1.699
   14    HA   CYS   3           HA       CYS   3  -6.772   1.574  -3.676
   15    HB2  CYS   3           HB2      CYS   3  -8.308  -0.155  -4.595
   16    HB3  CYS   3           HB1      CYS   3  -9.647   0.965  -4.387
   17    H    TRP   4           HN       TRP   4  -6.342   3.602  -3.215
   18    HA   TRP   4           HA       TRP   4  -8.553   5.536  -3.059
   19    HB2  TRP   4           HB2      TRP   4  -7.742   5.077  -0.832
   20    HB3  TRP   4           HB1      TRP   4  -6.097   5.393  -1.348
   21    HD1  TRP   4           HD1      TRP   4  -5.290   7.681  -1.252
   22    HE1  TRP   4           HE1      TRP   4  -6.257  10.050  -0.631
   23    HE3  TRP   4          3HE       TRP   4 -10.194   6.479  -1.108
   24    HZ2  TRP   4           HZ2      TRP   4  -8.796  11.175  -0.194
   25    HZ3  TRP   4           HZ3      TRP   4 -11.851   8.259  -0.631
   26    HH2  TRP   4          2HH       TRP   4 -11.150  10.534  -0.169
   27    H    HIS   5           HN       HIS   5  -8.408   6.243  -5.056
   28    HA   HIS   5           HA       HIS   5  -7.732   7.503  -6.772
   29    HB2  HIS   5           HB2      HIS   5  -6.410   9.081  -4.560
   30    HB3  HIS   5           HB1      HIS   5  -6.680   9.681  -6.190
   31    HD1  HIS   5           HD1      HIS   5  -8.852  10.965  -6.463
   32    HD2  HIS   5           HD2      HIS   5  -8.919   8.349  -3.249
   33    HE1  HIS   5           HE1      HIS   5 -11.066  11.352  -5.219
   34    H    HIS   6           HN       HIS   6  -6.498   5.622  -7.369
   35    HA   HIS   6           HA       HIS   6  -4.802   4.755  -8.557
   36    HB2  HIS   6           HB2      HIS   6  -3.444   7.445  -8.211
   37    HB3  HIS   6           HB1      HIS   6  -2.819   6.152  -9.225
   38    HD1  HIS   6           HD1      HIS   6  -4.900   9.119  -9.380
   39    HD2  HIS   6           HD2      HIS   6  -4.713   5.475 -11.371
   40    HE1  HIS   6           HE1      HIS   6  -6.232   9.421 -11.486
   41    H    SER   7           HN       SER   7  -4.507   5.544  -5.333
   42    HA   SER   7           HA       SER   7  -2.041   4.008  -5.133
   43    HB2  SER   7           HB2      SER   7  -3.553   5.519  -2.986
   44    HB3  SER   7           HB1      SER   7  -1.921   4.845  -2.862
   45    HG   SER   7           HG       SER   7  -2.193   6.438  -5.013
   46    H    CYS   8           HN       CYS   8  -2.881   2.029  -5.575
   47    HA   CYS   8           HA       CYS   8  -4.917   1.062  -3.739
   48    HB2  CYS   8           HB2      CYS   8  -4.773   0.410  -6.694
   49    HB3  CYS   8           HB1      CYS   8  -6.015  -0.110  -5.556
   50    H    VAL   9           HN       VAL   9  -3.860  -0.231  -2.502
   51    HA   VAL   9           HA       VAL   9  -1.805  -1.980  -3.581
   52    HB   VAL   9           HB       VAL   9  -2.666  -1.524  -0.698
   53   HG11  VAL   9          HG11      VAL   9  -0.294  -3.014  -1.818
   54   HG12  VAL   9          HG12      VAL   9  -1.682  -3.723  -0.991
   55   HG13  VAL   9          3HG1      VAL   9  -0.566  -2.677  -0.110
   56   HG21  VAL   9          HG21      VAL   9  -0.576  -0.258  -0.452
   57   HG22  VAL   9          HG22      VAL   9  -1.639   0.481  -1.650
   58   HG23  VAL   9          HG23      VAL   9  -0.249  -0.470  -2.171
   59    HA   PRO  10           HA       PRO  10  -5.097  -5.036  -3.884
   60    HB2  PRO  10           HB2      PRO  10  -2.764  -6.803  -4.348
   61    HB3  PRO  10           HB1      PRO  10  -4.220  -6.594  -5.325
   62    HG2  PRO  10           HG2      PRO  10  -1.940  -5.551  -6.161
   63    HG3  PRO  10           HG1      PRO  10  -3.432  -4.605  -6.282
   64    HD2  PRO  10           HD2      PRO  10  -1.256  -4.420  -4.227
   65    HD3  PRO  10           HD1      PRO  10  -2.095  -3.129  -5.128
   66    H    SER  11           HN       SER  11  -5.826  -6.790  -2.699
   67    HA   SER  11           HA       SER  11  -4.929  -7.043  -0.040
   68    HB2  SER  11           HB2      SER  11  -6.793  -8.803  -1.646
   69    HB3  SER  11           HB1      SER  11  -6.634  -8.802   0.112
   70    HG   SER  11           HG       SER  11  -8.385  -7.582  -0.675
   71    H    GLY  12           HN       GLY  12  -3.105  -8.043   0.527
   72    HA2  GLY  12           HA2      GLY  12  -2.129 -10.240   0.863
   73    HA3  GLY  12           HA1      GLY  12  -2.433 -10.552  -0.846
   74    H    THR  13           HN       THR  13  -1.675  -7.501  -1.001
   75    HA   THR  13           HA       THR  13   0.991  -8.089  -1.793
   76    HB   THR  13           HB       THR  13  -0.571  -5.498  -1.869
   77    HG1  THR  13           HG1      THR  13  -0.963  -7.626  -3.199
   78   HG21  THR  13          HG21      THR  13   1.136  -4.737  -3.465
   79   HG22  THR  13          HG22      THR  13   2.011  -6.252  -3.267
   80   HG23  THR  13          HG23      THR  13   1.887  -5.125  -1.915
   81    H    CYS  14           HN       CYS  14   2.359  -8.348  -0.259
   82    HA   CYS  14           HA       CYS  14   2.742  -6.169   1.648
   83    HB2  CYS  14           HB2      CYS  14   3.451  -9.092   2.034
   84    HB3  CYS  14           HB1      CYS  14   3.727  -7.803   3.195
   85    H    ALA  15           HN       ALA  15   4.280  -4.989   0.838
   86    HA   ALA  15           HA       ALA  15   6.812  -6.140   0.134
   87    HB1  ALA  15           HB1      ALA  15   5.594  -6.446  -1.965
   88    HB2  ALA  15           HB2      ALA  15   6.832  -5.200  -2.140
   89    HB3  ALA  15           HB3      ALA  15   5.139  -4.742  -1.960
   90    H    ASP  16           HN       ASP  16   8.212  -4.224  -0.720
   91    HA   ASP  16           HA       ASP  16   7.777  -2.052   1.140
   92    HB2  ASP  16           HB2      ASP  16  10.077  -1.387   0.604
   93    HB3  ASP  16           HB1      ASP  16  10.004  -3.079   1.082
   94    H    PHE  17           HN       PHE  17   7.421  -0.052   0.610
   95    HA   PHE  17           HA       PHE  17   7.281   0.770  -2.187
   96    HB2  PHE  17           HB2      PHE  17   5.281   1.309   0.042
   97    HB3  PHE  17           HB1      PHE  17   5.272   2.139  -1.503
   98    HD1  PHE  17           HD1      PHE  17   4.272   1.144  -3.412
   99    HD2  PHE  17           HD2      PHE  17   4.760  -1.118   0.151
  100    HE1  PHE  17           HE1      PHE  17   2.791  -0.594  -4.316
  101    HE2  PHE  17           HE2      PHE  17   3.279  -2.865  -0.743
  102    HZ   PHE  17           HZ       PHE  17   2.290  -2.605  -2.978
  103    HA   PRO  18           HA       PRO  18   9.783   4.237  -0.917
  104    HB2  PRO  18           HB2      PRO  18   7.576   5.981  -1.920
  105    HB3  PRO  18           HB1      PRO  18   9.307   6.054  -2.264
  106    HG2  PRO  18           HG2      PRO  18   7.650   5.052  -4.068
  107    HG3  PRO  18           HG1      PRO  18   9.217   4.277  -3.768
  108    HD2  PRO  18           HD2      PRO  18   6.489   3.428  -2.907
  109    HD3  PRO  18           HD1      PRO  18   7.876   2.444  -3.411
  110    H    TRP  19           HN       TRP  19  10.026   5.470   0.876
  111    HA   TRP  19           HA       TRP  19   8.069   5.494   2.975
  112    HB2  TRP  19           HB2      TRP  19  10.703   5.624   2.992
  113    HB3  TRP  19           HB1      TRP  19  10.435   7.348   2.797
  114    HD1  TRP  19           HD1      TRP  19   9.489   8.618   4.796
  115    HE1  TRP  19           HE1      TRP  19   9.167   8.028   7.338
  116    HE3  TRP  19          3HE       TRP  19  10.127   3.662   4.478
  117    HZ2  TRP  19           HZ2      TRP  19   9.190   5.700   8.926
  118    HZ3  TRP  19           HZ3      TRP  19   9.958   2.261   6.524
  119    HH2  TRP  19          2HH       TRP  19   9.497   3.282   8.698
  120    HA   PRO  20           HA       PRO  20   7.512   7.183   4.804
  121    HB2  PRO  20           HB2      PRO  20   5.094   7.949   5.591
  122    HB3  PRO  20           HB1      PRO  20   6.414   9.100   5.340
  123    HG2  PRO  20           HG2      PRO  20   4.131   8.422   3.532
  124    HG3  PRO  20           HG1      PRO  20   4.791  10.015   3.942
  125    HD2  PRO  20           HD2      PRO  20   5.400   8.656   1.642
  126    HD3  PRO  20           HD1      PRO  20   6.479   9.838   2.404
  127    H    LEU  21           HN       LEU  21   5.954   5.645   2.316
  128    HA   LEU  21           HA       LEU  21   4.167   4.112   3.915
  129    HB2  LEU  21           HB2      LEU  21   5.227   3.655   1.128
  130    HB3  LEU  21           HB1      LEU  21   4.215   2.479   1.931
  131    HG   LEU  21           HG       LEU  21   2.416   4.210   2.080
  132   HD11  LEU  21          HD11      LEU  21   3.742   6.220   1.939
  133   HD12  LEU  21          HD12      LEU  21   2.545   6.174   0.640
  134   HD13  LEU  21          HD13      LEU  21   4.237   5.798   0.300
  135   HD21  LEU  21          HD21      LEU  21   2.379   2.536   0.330
  136   HD22  LEU  21          HD22      LEU  21   3.409   3.545  -0.685
  137   HD23  LEU  21          HD23      LEU  21   1.778   4.077  -0.281
  138    H    GLY  22           HN       GLY  22   7.202   3.107   2.313
  139    HA2  GLY  22           HA2      GLY  22   8.887   1.803   3.216
  140    HA3  GLY  22           HA1      GLY  22   8.004   1.775   4.743
  141    H    HIS  23           HN       HIS  23   7.758  -0.341   5.183
  142    HA   HIS  23           HA       HIS  23   7.053  -2.112   3.017
  143    HB2  HIS  23           HB2      HIS  23   8.612  -2.856   4.864
  144    HB3  HIS  23           HB1      HIS  23   7.241  -2.770   5.967
  145    HD1  HIS  23           HD1      HIS  23   5.649  -4.805   5.997
  146    HD2  HIS  23           HD2      HIS  23   8.360  -4.849   2.846
  147    HE1  HIS  23           HE1      HIS  23   5.422  -7.053   4.914
  148    H    GLN  24           HN       GLN  24   5.079  -2.498   2.468
  149    HA   GLN  24           HA       GLN  24   2.925  -1.803   4.341
  150    HB2  GLN  24           HB2      GLN  24   2.952  -1.719   1.322
  151    HB3  GLN  24           HB1      GLN  24   1.542  -1.422   2.321
  152    HG2  GLN  24           HG2      GLN  24   4.065   0.220   2.385
  153    HG3  GLN  24           HG1      GLN  24   2.620   0.622   1.459
  154   HE21  GLN  24          1HE2      GLN  24   3.990   0.358   4.638
  155   HE22  GLN  24          2HE2      GLN  24   2.784   1.270   5.455
  156    H    CYS  25           HN       CYS  25   1.810  -3.501   4.971
  157    HA   CYS  25           HA       CYS  25   1.669  -5.785   3.167
  158    HB2  CYS  25           HB2      CYS  25   3.280  -6.294   4.971
  159    HB3  CYS  25           HB1      CYS  25   2.045  -5.931   6.167
  160    H    PHE  26           HN       PHE  26  -0.297  -5.425   2.446
  161    HA   PHE  26           HA       PHE  26  -2.366  -5.147   4.485
  162    HB2  PHE  26           HB2      PHE  26  -2.356  -4.200   1.613
  163    HB3  PHE  26           HB1      PHE  26  -3.798  -4.229   2.620
  164    HD1  PHE  26           HD1      PHE  26  -0.631  -2.538   1.951
  165    HD2  PHE  26           HD2      PHE  26  -4.027  -2.691   4.508
  166    HE1  PHE  26           HE1      PHE  26  -0.075  -0.305   2.853
  167    HE2  PHE  26           HE2      PHE  26  -3.463  -0.487   5.403
  168    HZ   PHE  26           HZ       PHE  26  -1.483   0.708   4.567
  169    HA   PRO  27           HA       PRO  27  -3.285  -9.401   3.114
  170    HB2  PRO  27           HB2      PRO  27  -5.113  -9.092   5.442
  171    HB3  PRO  27           HB1      PRO  27  -3.983 -10.403   5.087
  172    HG2  PRO  27           HG2      PRO  27  -3.435  -8.658   7.014
  173    HG3  PRO  27           HG1      PRO  27  -2.157  -9.228   5.931
  174    HD2  PRO  27           HD2      PRO  27  -3.643  -6.639   5.897
  175    HD3  PRO  27           HD1      PRO  27  -1.912  -6.945   5.641
  176    H    ASP  28           HN       ASP  28  -5.269  -6.735   4.073
  177    HA   ASP  28           HA       ASP  28  -7.135  -7.308   1.921
  178    HB2  ASP  28           HB2      ASP  28  -8.963  -6.264   3.208
  179    HB3  ASP  28           HB1      ASP  28  -8.312  -7.614   4.117
  Start of MODEL    2
    1    H1   GLY   1           HN       GLY   1  -5.879  -7.919  -0.287
    2    HA2  GLY   1           HA2      GLY   1  -5.249  -5.127  -0.227
    3    HA3  GLY   1           HA1      GLY   1  -5.442  -6.121  -1.657
    4    H    PHE   2           HN       PHE   2  -6.413  -3.828  -2.120
    5    HA   PHE   2           HA       PHE   2  -9.206  -4.104  -2.290
    6    HB2  PHE   2           HB2      PHE   2  -9.845  -2.098  -0.933
    7    HB3  PHE   2           HB1      PHE   2  -9.267  -3.453   0.020
    8    HD1  PHE   2           HD1      PHE   2  -8.603  -0.022  -1.066
    9    HD2  PHE   2           HD2      PHE   2  -7.162  -3.299   1.244
   10    HE1  PHE   2           HE1      PHE   2  -7.037   1.473   0.084
   11    HE2  PHE   2           HE2      PHE   2  -5.592  -1.801   2.388
   12    HZ   PHE   2           HZ       PHE   2  -5.528   0.588   1.813
   13    H    CYS   3           HN       CYS   3 -10.219  -2.142  -3.276
   14    HA   CYS   3           HA       CYS   3  -8.284  -0.543  -4.781
   15    HB2  CYS   3           HB2      CYS   3 -10.863  -1.730  -5.843
   16    HB3  CYS   3           HB1      CYS   3  -9.847  -0.589  -6.699
   17    H    TRP   4           HN       TRP   4  -8.489   1.392  -3.910
   18    HA   TRP   4           HA       TRP   4 -11.166   2.535  -3.818
   19    HB2  TRP   4           HB2      TRP   4 -10.823   3.568  -1.685
   20    HB3  TRP   4           HB1      TRP   4 -10.283   1.914  -1.484
   21    HD1  TRP   4           HD1      TRP   4  -7.234   2.333  -2.581
   22    HE1  TRP   4           HE1      TRP   4  -5.578   3.639  -1.126
   23    HE3  TRP   4          3HE       TRP   4 -10.569   4.869   0.345
   24    HZ2  TRP   4           HZ2      TRP   4  -5.676   5.523   0.986
   25    HZ3  TRP   4           HZ3      TRP   4  -9.698   6.391   2.068
   26    HH2  TRP   4          2HH       TRP   4  -7.298   6.700   2.377
   27    H    HIS   5           HN       HIS   5 -11.131   4.819  -4.403
   28    HA   HIS   5           HA       HIS   5 -10.324   6.662  -5.578
   29    HB2  HIS   5           HB2      HIS   5  -7.774   5.715  -4.294
   30    HB3  HIS   5           HB1      HIS   5  -7.798   7.132  -5.304
   31    HD1  HIS   5           HD1      HIS   5  -7.452   9.018  -3.716
   32    HD2  HIS   5           HD2      HIS   5 -10.118   6.214  -2.212
   33    HE1  HIS   5           HE1      HIS   5  -8.133   9.857  -1.431
   34    H    HIS   6           HN       HIS   6 -10.323   3.872  -6.722
   35    HA   HIS   6           HA       HIS   6  -9.770   2.744  -8.601
   36    HB2  HIS   6           HB2      HIS   6 -10.324   4.957  -9.680
   37    HB3  HIS   6           HB1      HIS   6  -8.627   5.391  -9.565
   38    HD1  HIS   6           HD1      HIS   6  -7.496   5.136 -11.794
   39    HD2  HIS   6           HD2      HIS   6 -10.552   2.370 -11.249
   40    HE1  HIS   6           HE1      HIS   6  -7.620   3.822 -13.928
   41    H    SER   7           HN       SER   7  -7.903   3.101  -6.319
   42    HA   SER   7           HA       SER   7  -5.396   2.385  -7.639
   43    HB2  SER   7           HB2      SER   7  -5.903   3.411  -4.839
   44    HB3  SER   7           HB1      SER   7  -4.324   3.072  -5.552
   45    HG   SER   7           HG       SER   7  -6.159   4.871  -6.706
   46    H    CYS   8           HN       CYS   8  -5.000   0.267  -7.554
   47    HA   CYS   8           HA       CYS   8  -6.423  -1.336  -5.571
   48    HB2  CYS   8           HB2      CYS   8  -5.369  -2.057  -8.292
   49    HB3  CYS   8           HB1      CYS   8  -6.010  -3.224  -7.141
   50    H    VAL   9           HN       VAL   9  -5.308  -2.116  -4.006
   51    HA   VAL   9           HA       VAL   9  -2.500  -2.687  -4.487
   52    HB   VAL   9           HB       VAL   9  -2.220  -2.738  -1.990
   53   HG11  VAL   9          HG11      VAL   9  -1.642  -0.751  -3.267
   54   HG12  VAL   9          HG12      VAL   9  -2.253  -0.324  -1.670
   55   HG13  VAL   9          3HG1      VAL   9  -3.290  -0.147  -3.088
   56   HG21  VAL   9          HG21      VAL   9  -4.538  -3.171  -1.327
   57   HG22  VAL   9          HG22      VAL   9  -5.020  -1.593  -1.947
   58   HG23  VAL   9          HG23      VAL   9  -3.935  -1.701  -0.561
   59    HA   PRO  10           HA       PRO  10  -3.840  -6.967  -4.523
   60    HB2  PRO  10           HB2      PRO  10  -0.902  -7.384  -4.271
   61    HB3  PRO  10           HB1      PRO  10  -2.028  -8.050  -5.459
   62    HG2  PRO  10           HG2      PRO  10  -0.334  -6.131  -6.150
   63    HG3  PRO  10           HG1      PRO  10  -1.998  -6.135  -6.761
   64    HD2  PRO  10           HD2      PRO  10  -0.786  -4.495  -4.578
   65    HD3  PRO  10           HD1      PRO  10  -1.944  -4.026  -5.848
   66    H    SER  11           HN       SER  11  -3.601  -8.803  -3.038
   67    HA   SER  11           HA       SER  11  -3.503  -7.965  -0.313
   68    HB2  SER  11           HB2      SER  11  -3.875 -10.727  -1.494
   69    HB3  SER  11           HB1      SER  11  -4.191 -10.273   0.181
   70    HG   SER  11           HG       SER  11  -6.093 -10.258  -1.014
   71    H    GLY  12           HN       GLY  12  -1.068  -8.564  -2.283
   72    HA2  GLY  12           HA2      GLY  12   0.583  -9.865  -0.248
   73    HA3  GLY  12           HA1      GLY  12   0.911  -9.892  -1.981
   74    H    THR  13           HN       THR  13  -0.326  -6.940  -0.937
   75    HA   THR  13           HA       THR  13   2.119  -5.607  -1.498
   76    HB   THR  13           HB       THR  13  -0.422  -4.495  -0.267
   77    HG1  THR  13           HG1      THR  13  -1.010  -5.094  -2.220
   78   HG21  THR  13          HG21      THR  13   1.903  -3.080  -1.605
   79   HG22  THR  13          HG22      THR  13   1.527  -3.040   0.117
   80   HG23  THR  13          HG23      THR  13   0.419  -2.307  -1.044
   81    H    CYS  14           HN       CYS  14   3.551  -6.305  -0.075
   82    HA   CYS  14           HA       CYS  14   3.420  -4.997   2.511
   83    HB2  CYS  14           HB2      CYS  14   2.644  -7.311   2.958
   84    HB3  CYS  14           HB1      CYS  14   4.149  -7.926   2.283
   85    H    ALA  15           HN       ALA  15   4.925  -3.609   2.173
   86    HA   ALA  15           HA       ALA  15   7.646  -4.413   2.081
   87    HB1  ALA  15           HB1      ALA  15   8.226  -3.264  -0.005
   88    HB2  ALA  15           HB2      ALA  15   6.519  -2.948  -0.316
   89    HB3  ALA  15           HB3      ALA  15   7.124  -4.606  -0.316
   90    H    ASP  16           HN       ASP  16   9.026  -2.438   2.173
   91    HA   ASP  16           HA       ASP  16   7.567  -0.325   3.531
   92    HB2  ASP  16           HB2      ASP  16   9.729   0.343   4.474
   93    HB3  ASP  16           HB1      ASP  16   9.433  -1.360   4.786
   94    H    PHE  17           HN       PHE  17   7.613   1.725   2.838
   95    HA   PHE  17           HA       PHE  17   9.164   2.437   0.460
   96    HB2  PHE  17           HB2      PHE  17   6.223   3.070   0.875
   97    HB3  PHE  17           HB1      PHE  17   7.183   3.598  -0.487
   98    HD1  PHE  17           HD1      PHE  17   5.142   1.029   0.934
   99    HD2  PHE  17           HD2      PHE  17   7.943   1.857  -2.150
  100    HE1  PHE  17           HE1      PHE  17   4.393  -0.977  -0.272
  101    HE2  PHE  17           HE2      PHE  17   7.200  -0.150  -3.365
  102    HZ   PHE  17           HZ       PHE  17   5.417  -1.568  -2.418
  103    HA   PRO  18           HA       PRO  18   9.472   5.076   4.326
  104    HB2  PRO  18           HB2      PRO  18  11.909   6.178   3.408
  105    HB3  PRO  18           HB1      PRO  18  11.709   4.932   4.638
  106    HG2  PRO  18           HG2      PRO  18  12.428   4.668   1.780
  107    HG3  PRO  18           HG1      PRO  18  12.833   3.621   3.144
  108    HD2  PRO  18           HD2      PRO  18  11.008   2.943   1.276
  109    HD3  PRO  18           HD1      PRO  18  10.882   2.411   2.961
  110    H    TRP  19           HN       TRP  19  10.575   6.293   1.166
  111    HA   TRP  19           HA       TRP  19   9.548   8.838   1.972
  112    HB2  TRP  19           HB2      TRP  19  11.488   8.041  -0.114
  113    HB3  TRP  19           HB1      TRP  19  10.672   9.598  -0.221
  114    HD1  TRP  19           HD1      TRP  19  10.977  11.243   1.875
  115    HE1  TRP  19           HE1      TRP  19  13.043  11.571   3.441
  116    HE3  TRP  19          3HE       TRP  19  13.378   6.856   0.945
  117    HZ2  TRP  19           HZ2      TRP  19  15.368  10.108   4.155
  118    HZ3  TRP  19           HZ3      TRP  19  15.502   6.376   2.102
  119    HH2  TRP  19          2HH       TRP  19  16.468   7.977   3.673
  120    HA   PRO  20           HA       PRO  20   8.026   9.502   2.592
  121    HB2  PRO  20           HB2      PRO  20   5.892  11.207   1.981
  122    HB3  PRO  20           HB1      PRO  20   7.596  11.640   1.809
  123    HG2  PRO  20           HG2      PRO  20   5.826  11.529  -0.303
  124    HG3  PRO  20           HG1      PRO  20   7.569  11.359  -0.455
  125    HD2  PRO  20           HD2      PRO  20   5.546   9.125  -0.189
  126    HD3  PRO  20           HD1      PRO  20   6.836   9.314  -1.412
  127    H    LEU  21           HN       LEU  21   6.820   7.046   2.021
  128    HA   LEU  21           HA       LEU  21   3.990   7.355   2.724
  129    HB2  LEU  21           HB2      LEU  21   5.437   5.020   1.511
  130    HB3  LEU  21           HB1      LEU  21   3.727   5.046   1.847
  131    HG   LEU  21           HG       LEU  21   5.183   6.769  -0.164
  132   HD11  LEU  21          HD11      LEU  21   3.249   4.493  -0.535
  133   HD12  LEU  21          HD12      LEU  21   4.983   4.452  -0.853
  134   HD13  LEU  21          HD13      LEU  21   3.934   5.488  -1.821
  135   HD21  LEU  21          HD21      LEU  21   2.948   7.509  -0.866
  136   HD22  LEU  21          HD22      LEU  21   3.304   7.997   0.787
  137   HD23  LEU  21          HD23      LEU  21   2.234   6.628   0.482
  138    H    GLY  22           HN       GLY  22   6.467   4.857   3.349
  139    HA2  GLY  22           HA2      GLY  22   7.105   4.732   5.783
  140    HA3  GLY  22           HA1      GLY  22   5.371   4.635   6.069
  141    H    HIS  23           HN       HIS  23   4.943   2.634   6.673
  142    HA   HIS  23           HA       HIS  23   6.200   0.409   5.218
  143    HB2  HIS  23           HB2      HIS  23   6.744   0.524   7.627
  144    HB3  HIS  23           HB1      HIS  23   5.032   0.500   8.014
  145    HD1  HIS  23           HD1      HIS  23   3.985  -1.774   8.312
  146    HD2  HIS  23           HD2      HIS  23   7.716  -1.929   6.493
  147    HE1  HIS  23           HE1      HIS  23   4.610  -4.213   8.223
  148    H    GLN  24           HN       GLN  24   4.837  -0.539   3.781
  149    HA   GLN  24           HA       GLN  24   1.953  -0.379   4.297
  150    HB2  GLN  24           HB2      GLN  24   3.524  -0.314   1.757
  151    HB3  GLN  24           HB1      GLN  24   1.876  -0.895   1.744
  152    HG2  GLN  24           HG2      GLN  24   1.994   1.408   1.058
  153    HG3  GLN  24           HG1      GLN  24   1.104   1.264   2.559
  154   HE21  GLN  24          1HE2      GLN  24   1.881   2.248   4.357
  155   HE22  GLN  24          2HE2      GLN  24   3.225   3.328   4.361
  156    H    CYS  25           HN       CYS  25   1.303  -2.233   5.104
  157    HA   CYS  25           HA       CYS  25   1.756  -4.588   3.494
  158    HB2  CYS  25           HB2      CYS  25   2.265  -4.532   6.476
  159    HB3  CYS  25           HB1      CYS  25   1.989  -6.022   5.584
  160    H    PHE  26           HN       PHE  26  -0.040  -5.086   2.785
  161    HA   PHE  26           HA       PHE  26  -2.416  -4.924   4.501
  162    HB2  PHE  26           HB2      PHE  26  -2.246  -4.664   1.481
  163    HB3  PHE  26           HB1      PHE  26  -3.717  -4.576   2.439
  164    HD1  PHE  26           HD1      PHE  26  -0.862  -2.772   1.170
  165    HD2  PHE  26           HD2      PHE  26  -4.039  -2.648   3.990
  166    HE1  PHE  26           HE1      PHE  26  -0.557  -0.343   1.398
  167    HE2  PHE  26           HE2      PHE  26  -3.736  -0.216   4.227
  168    HZ   PHE  26           HZ       PHE  26  -1.995   0.937   2.928
  169    HA   PRO  27           HA       PRO  27  -1.992  -9.406   3.803
  170    HB2  PRO  27           HB2      PRO  27  -4.334  -9.443   5.613
  171    HB3  PRO  27           HB1      PRO  27  -2.789 -10.281   5.775
  172    HG2  PRO  27           HG2      PRO  27  -3.398  -8.199   7.339
  173    HG3  PRO  27           HG1      PRO  27  -1.747  -8.454   6.747
  174    HD2  PRO  27           HD2      PRO  27  -3.834  -6.543   5.775
  175    HD3  PRO  27           HD1      PRO  27  -2.086  -6.299   5.996
  176    H    ASP  28           HN       ASP  28  -4.762  -7.333   3.575
  177    HA   ASP  28           HA       ASP  28  -5.901  -9.057   1.512
  178    HB2  ASP  28           HB2      ASP  28  -7.177  -9.229   3.714
  179    HB3  ASP  28           HB1      ASP  28  -7.542  -7.516   3.542
  Start of MODEL    3
    1    H1   GLY   1           HN       GLY   1  -6.290  -5.926  -1.817
    2    HA2  GLY   1           HA2      GLY   1  -5.138  -3.497  -0.768
    3    HA3  GLY   1           HA1      GLY   1  -5.245  -3.966  -2.462
    4    H    PHE   2           HN       PHE   2  -5.859  -1.649  -2.624
    5    HA   PHE   2           HA       PHE   2  -8.703  -1.447  -2.693
    6    HB2  PHE   2           HB2      PHE   2  -8.852   0.608  -1.326
    7    HB3  PHE   2           HB1      PHE   2  -8.346  -0.775  -0.373
    8    HD1  PHE   2           HD1      PHE   2  -7.576   2.564  -1.429
    9    HD2  PHE   2           HD2      PHE   2  -5.887  -0.962   0.253
   10    HE1  PHE   2           HE1      PHE   2  -5.674   3.870  -0.604
   11    HE2  PHE   2           HE2      PHE   2  -3.979   0.343   1.079
   12    HZ   PHE   2           HZ       PHE   2  -3.870   2.766   0.652
   13    H    CYS   3           HN       CYS   3  -9.413   0.426  -3.810
   14    HA   CYS   3           HA       CYS   3  -7.393   1.889  -5.315
   15    HB2  CYS   3           HB2      CYS   3  -9.769   0.399  -6.432
   16    HB3  CYS   3           HB1      CYS   3  -8.990   1.704  -7.304
   17    H    TRP   4           HN       TRP   4  -7.724   3.920  -4.715
   18    HA   TRP   4           HA       TRP   4 -10.304   5.070  -5.161
   19    HB2  TRP   4           HB2      TRP   4 -10.732   5.900  -2.988
   20    HB3  TRP   4           HB1      TRP   4 -10.220   4.242  -2.703
   21    HD1  TRP   4           HD1      TRP   4  -7.019   4.778  -2.647
   22    HE1  TRP   4           HE1      TRP   4  -5.997   6.090  -0.683
   23    HE3  TRP   4          3HE       TRP   4 -11.241   7.082  -0.944
   24    HZ2  TRP   4           HZ2      TRP   4  -6.883   7.876   1.323
   25    HZ3  TRP   4           HZ3      TRP   4 -11.078   8.560   1.009
   26    HH2  TRP   4          2HH       TRP   4  -8.939   8.941   2.124
   27    H    HIS   5           HN       HIS   5 -10.072   7.341  -5.545
   28    HA   HIS   5           HA       HIS   5  -8.975   9.252  -6.214
   29    HB2  HIS   5           HB2      HIS   5  -7.016   8.270  -4.124
   30    HB3  HIS   5           HB1      HIS   5  -6.763   9.779  -4.973
   31    HD1  HIS   5           HD1      HIS   5  -7.251  11.547  -3.212
   32    HD2  HIS   5           HD2      HIS   5 -10.045   8.477  -3.183
   33    HE1  HIS   5           HE1      HIS   5  -8.959  12.170  -1.481
   34    H    HIS   6           HN       HIS   6  -8.533   6.650  -7.522
   35    HA   HIS   6           HA       HIS   6  -7.386   5.645  -9.140
   36    HB2  HIS   6           HB2      HIS   6  -6.222   8.408  -9.523
   37    HB3  HIS   6           HB1      HIS   6  -5.838   7.061 -10.593
   38    HD1  HIS   6           HD1      HIS   6  -7.933   9.890 -10.532
   39    HD2  HIS   6           HD2      HIS   6  -8.516   5.902 -11.535
   40    HE1  HIS   6           HE1      HIS   6  -9.955   9.849 -12.010
   41    H    SER   7           HN       SER   7  -6.384   5.751  -6.392
   42    HA   SER   7           HA       SER   7  -3.584   5.061  -6.878
   43    HB2  SER   7           HB2      SER   7  -5.023   5.642  -4.270
   44    HB3  SER   7           HB1      SER   7  -3.284   5.430  -4.488
   45    HG   SER   7           HG       SER   7  -4.228   7.285  -6.163
   46    H    CYS   8           HN       CYS   8  -3.538   2.899  -7.324
   47    HA   CYS   8           HA       CYS   8  -5.300   1.180  -5.766
   48    HB2  CYS   8           HB2      CYS   8  -4.053   0.767  -8.464
   49    HB3  CYS   8           HB1      CYS   8  -4.752  -0.540  -7.520
   50    H    VAL   9           HN       VAL   9  -4.484   0.145  -4.228
   51    HA   VAL   9           HA       VAL   9  -1.675  -0.684  -4.306
   52    HB   VAL   9           HB       VAL   9  -3.633  -0.584  -1.963
   53   HG11  VAL   9          HG11      VAL   9  -0.675  -1.169  -1.977
   54   HG12  VAL   9          HG12      VAL   9  -1.959  -2.339  -1.686
   55   HG13  VAL   9          3HG1      VAL   9  -1.690  -1.024  -0.543
   56   HG21  VAL   9          HG21      VAL   9  -2.277   1.287  -1.139
   57   HG22  VAL   9          HG22      VAL   9  -3.004   1.652  -2.703
   58   HG23  VAL   9          HG23      VAL   9  -1.298   1.219  -2.603
   59    HA   PRO  10           HA       PRO  10  -3.494  -4.566  -5.529
   60    HB2  PRO  10           HB2      PRO  10  -1.285  -6.145  -5.281
   61    HB3  PRO  10           HB1      PRO  10  -1.559  -5.053  -6.640
   62    HG2  PRO  10           HG2      PRO  10   0.125  -4.658  -4.203
   63    HG3  PRO  10           HG1      PRO  10   0.476  -4.228  -5.885
   64    HD2  PRO  10           HD2      PRO  10  -0.346  -2.414  -4.059
   65    HD3  PRO  10           HD1      PRO  10  -0.770  -2.292  -5.778
   66    H    SER  11           HN       SER  11  -4.074  -6.641  -4.719
   67    HA   SER  11           HA       SER  11  -4.211  -6.757  -1.842
   68    HB2  SER  11           HB2      SER  11  -5.392  -8.526  -3.987
   69    HB3  SER  11           HB1      SER  11  -5.752  -8.639  -2.263
   70    HG   SER  11           HG       SER  11  -7.098  -7.294  -3.879
   71    H    GLY  12           HN       GLY  12  -2.532  -7.626  -0.808
   72    HA2  GLY  12           HA2      GLY  12  -1.534  -9.759  -0.226
   73    HA3  GLY  12           HA1      GLY  12  -1.343 -10.058  -1.952
   74    H    THR  13           HN       THR  13  -0.793  -6.874  -0.741
   75    HA   THR  13           HA       THR  13   2.002  -7.359  -1.252
   76    HB   THR  13           HB       THR  13   1.109  -5.619  -2.684
   77    HG1  THR  13           HG1      THR  13   3.048  -4.956  -2.395
   78   HG21  THR  13          HG21      THR  13   0.293  -3.468  -1.790
   79   HG22  THR  13          HG22      THR  13   0.389  -4.124  -0.155
   80   HG23  THR  13          HG23      THR  13  -0.749  -4.808  -1.314
   81    H    CYS  14           HN       CYS  14   2.847  -8.058   0.453
   82    HA   CYS  14           HA       CYS  14   2.926  -6.238   2.721
   83    HB2  CYS  14           HB2      CYS  14   3.039  -9.267   2.862
   84    HB3  CYS  14           HB1      CYS  14   3.251  -8.170   4.223
   85    H    ALA  15           HN       ALA  15   4.667  -5.205   2.240
   86    HA   ALA  15           HA       ALA  15   7.211  -6.530   2.250
   87    HB1  ALA  15           HB1      ALA  15   7.900  -5.617   0.069
   88    HB2  ALA  15           HB2      ALA  15   6.255  -5.046  -0.202
   89    HB3  ALA  15           HB3      ALA  15   6.581  -6.776  -0.106
   90    H    ASP  16           HN       ASP  16   8.947  -4.765   2.090
   91    HA   ASP  16           HA       ASP  16   7.873  -2.463   3.468
   92    HB2  ASP  16           HB2      ASP  16  10.094  -2.030   4.271
   93    HB3  ASP  16           HB1      ASP  16   9.713  -3.719   4.573
   94    H    PHE  17           HN       PHE  17   7.737  -0.615   2.640
   95    HA   PHE  17           HA       PHE  17   8.967  -0.144   0.042
   96    HB2  PHE  17           HB2      PHE  17   6.375   0.871   1.240
   97    HB3  PHE  17           HB1      PHE  17   7.065   1.497  -0.249
   98    HD1  PHE  17           HD1      PHE  17   5.557  -1.478   1.338
   99    HD2  PHE  17           HD2      PHE  17   6.796   0.337  -2.300
  100    HE1  PHE  17           HE1      PHE  17   4.356  -3.212   0.063
  101    HE2  PHE  17           HE2      PHE  17   5.606  -1.394  -3.573
  102    HZ   PHE  17           HZ       PHE  17   4.378  -3.174  -2.375
  103    HA   PRO  18           HA       PRO  18  11.438   3.190   1.552
  104    HB2  PRO  18           HB2      PRO  18   9.917   4.891  -0.372
  105    HB3  PRO  18           HB1      PRO  18  11.664   4.780  -0.111
  106    HG2  PRO  18           HG2      PRO  18  10.572   3.571  -2.190
  107    HG3  PRO  18           HG1      PRO  18  11.837   2.761  -1.247
  108    HD2  PRO  18           HD2      PRO  18   8.899   2.275  -1.278
  109    HD3  PRO  18           HD1      PRO  18  10.240   1.127  -1.069
  110    H    TRP  19           HN       TRP  19  11.130   4.194   3.397
  111    HA   TRP  19           HA       TRP  19   8.682   5.016   4.553
  112    HB2  TRP  19           HB2      TRP  19  10.989   4.591   5.656
  113    HB3  TRP  19           HB1      TRP  19  11.376   6.239   5.183
  114    HD1  TRP  19           HD1      TRP  19  10.007   8.148   6.344
  115    HE1  TRP  19           HE1      TRP  19   8.738   8.255   8.631
  116    HE3  TRP  19          3HE       TRP  19   9.655   3.204   7.229
  117    HZ2  TRP  19           HZ2      TRP  19   7.733   6.418  10.517
  118    HZ3  TRP  19           HZ3      TRP  19   8.528   2.414   9.283
  119    HH2  TRP  19          2HH       TRP  19   7.590   4.002  10.888
  120    HA   PRO  20           HA       PRO  20   7.728   6.688   5.854
  121    HB2  PRO  20           HB2      PRO  20   5.455   8.288   5.172
  122    HB3  PRO  20           HB1      PRO  20   6.683   8.582   6.404
  123    HG2  PRO  20           HG2      PRO  20   6.384  10.119   4.152
  124    HG3  PRO  20           HG1      PRO  20   7.904   9.939   5.043
  125    HD2  PRO  20           HD2      PRO  20   7.009   8.527   2.550
  126    HD3  PRO  20           HD1      PRO  20   8.584   9.246   2.930
  127    H    LEU  21           HN       LEU  21   7.201   5.306   3.021
  128    HA   LEU  21           HA       LEU  21   4.467   4.544   3.370
  129    HB2  LEU  21           HB2      LEU  21   6.670   3.239   1.762
  130    HB3  LEU  21           HB1      LEU  21   4.997   2.725   1.733
  131    HG   LEU  21           HG       LEU  21   5.992   5.432   0.824
  132   HD11  LEU  21          HD11      LEU  21   6.742   3.671  -0.670
  133   HD12  LEU  21          HD12      LEU  21   5.464   4.622  -1.427
  134   HD13  LEU  21          HD13      LEU  21   5.100   3.030  -0.764
  135   HD21  LEU  21          HD21      LEU  21   3.734   5.673  -0.100
  136   HD22  LEU  21          HD22      LEU  21   3.708   5.525   1.655
  137   HD23  LEU  21          HD23      LEU  21   3.267   4.145   0.648
  138    H    GLY  22           HN       GLY  22   7.541   2.808   3.890
  139    HA2  GLY  22           HA2      GLY  22   8.125   1.577   5.765
  140    HA3  GLY  22           HA1      GLY  22   6.504   1.817   6.395
  141    H    HIS  23           HN       HIS  23   6.619  -0.465   6.944
  142    HA   HIS  23           HA       HIS  23   6.540  -2.338   4.765
  143    HB2  HIS  23           HB2      HIS  23   7.486  -2.991   6.987
  144    HB3  HIS  23           HB1      HIS  23   5.893  -2.768   7.700
  145    HD1  HIS  23           HD1      HIS  23   4.339  -4.794   7.638
  146    HD2  HIS  23           HD2      HIS  23   7.621  -5.182   5.118
  147    HE1  HIS  23           HE1      HIS  23   4.256  -7.153   6.755
  148    H    GLN  24           HN       GLN  24   4.890  -2.199   3.497
  149    HA   GLN  24           HA       GLN  24   2.239  -1.586   4.542
  150    HB2  GLN  24           HB2      GLN  24   3.224  -2.093   1.724
  151    HB3  GLN  24           HB1      GLN  24   1.571  -1.697   2.130
  152    HG2  GLN  24           HG2      GLN  24   3.955   0.099   2.575
  153    HG3  GLN  24           HG1      GLN  24   2.855   0.199   1.209
  154   HE21  GLN  24          1HE2      GLN  24   2.136   2.220   1.611
  155   HE22  GLN  24          2HE2      GLN  24   1.196   2.669   2.984
  156    H    CYS  25           HN       CYS  25   0.727  -3.185   4.835
  157    HA   CYS  25           HA       CYS  25   1.182  -5.682   3.472
  158    HB2  CYS  25           HB2      CYS  25   2.262  -5.964   5.697
  159    HB3  CYS  25           HB1      CYS  25   0.723  -5.584   6.460
  160    H    PHE  26           HN       PHE  26  -0.440  -5.333   2.229
  161    HA   PHE  26           HA       PHE  26  -3.114  -5.127   3.444
  162    HB2  PHE  26           HB2      PHE  26  -2.189  -4.190   0.712
  163    HB3  PHE  26           HB1      PHE  26  -3.846  -4.137   1.289
  164    HD1  PHE  26           HD1      PHE  26  -0.536  -2.603   1.476
  165    HD2  PHE  26           HD2      PHE  26  -4.519  -2.514   2.936
  166    HE1  PHE  26           HE1      PHE  26  -0.147  -0.351   2.390
  167    HE2  PHE  26           HE2      PHE  26  -4.139  -0.266   3.861
  168    HZ   PHE  26           HZ       PHE  26  -1.948   0.818   3.582
  169    HA   PRO  27           HA       PRO  27  -3.150  -9.315   1.526
  170    HB2  PRO  27           HB2      PRO  27  -5.587  -9.438   3.229
  171    HB3  PRO  27           HB1      PRO  27  -4.264 -10.597   3.094
  172    HG2  PRO  27           HG2      PRO  27  -4.467  -9.080   5.262
  173    HG3  PRO  27           HG1      PRO  27  -2.882  -9.404   4.537
  174    HD2  PRO  27           HD2      PRO  27  -4.588  -6.948   4.317
  175    HD3  PRO  27           HD1      PRO  27  -2.835  -7.079   4.573
  176    H    ASP  28           HN       ASP  28  -5.657  -6.954   2.105
  177    HA   ASP  28           HA       ASP  28  -6.757  -7.488  -0.549
  178    HB2  ASP  28           HB2      ASP  28  -8.234  -6.437   1.898
  179    HB3  ASP  28           HB1      ASP  28  -8.893  -6.463   0.272
  Start of MODEL    4
    1    H1   GLY   1           HN       GLY   1  -5.185  -6.020   0.372
    2    HA2  GLY   1           HA2      GLY   1  -4.805  -4.584  -1.415
    3    HA3  GLY   1           HA1      GLY   1  -5.658  -5.703  -2.470
    4    H    PHE   2           HN       PHE   2  -6.431  -3.390  -3.049
    5    HA   PHE   2           HA       PHE   2  -9.119  -3.200  -2.170
    6    HB2  PHE   2           HB2      PHE   2  -9.031  -0.860  -1.332
    7    HB3  PHE   2           HB1      PHE   2  -8.099  -1.932  -0.305
    8    HD1  PHE   2           HD1      PHE   2  -7.983   0.894  -2.615
    9    HD2  PHE   2           HD2      PHE   2  -5.654  -1.775  -0.250
   10    HE1  PHE   2           HE1      PHE   2  -6.046   2.390  -2.831
   11    HE2  PHE   2           HE2      PHE   2  -3.722  -0.280  -0.466
   12    HZ   PHE   2           HZ       PHE   2  -3.913   1.798  -1.754
   13    H    CYS   3           HN       CYS   3 -10.230  -1.519  -3.487
   14    HA   CYS   3           HA       CYS   3  -8.623  -0.799  -5.817
   15    HB2  CYS   3           HB2      CYS   3  -9.941  -2.885  -6.277
   16    HB3  CYS   3           HB1      CYS   3 -11.412  -1.975  -5.966
   17    H    TRP   4           HN       TRP   4  -8.844   1.245  -6.412
   18    HA   TRP   4           HA       TRP   4 -11.250   2.717  -5.882
   19    HB2  TRP   4           HB2      TRP   4 -10.327   4.319  -4.382
   20    HB3  TRP   4           HB1      TRP   4  -9.812   2.747  -3.775
   21    HD1  TRP   4           HD1      TRP   4  -7.156   2.390  -5.589
   22    HE1  TRP   4           HE1      TRP   4  -5.122   3.876  -5.158
   23    HE3  TRP   4          3HE       TRP   4  -9.464   6.169  -3.046
   24    HZ2  TRP   4           HZ2      TRP   4  -4.564   6.353  -3.888
   25    HZ3  TRP   4           HZ3      TRP   4  -8.100   8.049  -2.241
   26    HH2  TRP   4          2HH       TRP   4  -5.694   8.119  -2.656
   27    H    HIS   5           HN       HIS   5 -11.146   4.773  -7.060
   28    HA   HIS   5           HA       HIS   5 -10.633   6.061  -8.908
   29    HB2  HIS   5           HB2      HIS   5  -7.875   5.177  -8.082
   30    HB3  HIS   5           HB1      HIS   5  -8.103   6.169  -9.503
   31    HD1  HIS   5           HD1      HIS   5  -7.182   8.361  -8.791
   32    HD2  HIS   5           HD2      HIS   5  -9.678   6.711  -5.917
   33    HE1  HIS   5           HE1      HIS   5  -7.317  10.056  -6.940
   34    H    HIS   6           HN       HIS   6 -11.186   3.128  -9.163
   35    HA   HIS   6           HA       HIS   6 -11.417   1.558 -10.736
   36    HB2  HIS   6           HB2      HIS   6 -11.923   3.452 -12.285
   37    HB3  HIS   6           HB1      HIS   6 -10.212   3.615 -12.632
   38    HD1  HIS   6           HD1      HIS   6  -9.319   2.235 -14.545
   39    HD2  HIS   6           HD2      HIS   6 -13.097   1.037 -13.310
   40    HE1  HIS   6           HE1      HIS   6 -10.134   0.606 -16.295
   41    H    SER   7           HN       SER   7  -8.783   2.155  -9.216
   42    HA   SER   7           HA       SER   7  -7.131   0.366 -10.820
   43    HB2  SER   7           HB2      SER   7  -6.167   2.651 -10.543
   44    HB3  SER   7           HB1      SER   7  -6.208   2.425  -8.796
   45    HG   SER   7           HG       SER   7  -4.387   1.624 -10.580
   46    H    CYS   8           HN       CYS   8  -7.130  -1.549  -9.987
   47    HA   CYS   8           HA       CYS   8  -7.839  -1.887  -7.205
   48    HB2  CYS   8           HB2      CYS   8  -7.650  -3.923  -9.428
   49    HB3  CYS   8           HB1      CYS   8  -8.237  -4.225  -7.799
   50    H    VAL   9           HN       VAL   9  -6.223  -1.891  -5.857
   51    HA   VAL   9           HA       VAL   9  -3.550  -2.629  -6.536
   52    HB   VAL   9           HB       VAL   9  -4.861  -2.062  -3.847
   53   HG11  VAL   9          HG11      VAL   9  -2.844  -3.390  -3.542
   54   HG12  VAL   9          HG12      VAL   9  -2.579  -1.737  -2.983
   55   HG13  VAL   9          3HG1      VAL   9  -1.928  -2.261  -4.537
   56   HG21  VAL   9          HG21      VAL   9  -3.780   0.136  -4.017
   57   HG22  VAL   9          HG22      VAL   9  -4.919  -0.139  -5.336
   58   HG23  VAL   9          HG23      VAL   9  -3.186  -0.288  -5.622
   59    HA   PRO  10           HA       PRO  10  -4.584  -6.914  -6.088
   60    HB2  PRO  10           HB2      PRO  10  -2.086  -7.923  -6.455
   61    HB3  PRO  10           HB1      PRO  10  -3.110  -7.350  -7.774
   62    HG2  PRO  10           HG2      PRO  10  -0.838  -5.997  -6.407
   63    HG3  PRO  10           HG1      PRO  10  -1.289  -5.983  -8.122
   64    HD2  PRO  10           HD2      PRO  10  -1.812  -3.943  -6.390
   65    HD3  PRO  10           HD1      PRO  10  -2.796  -4.283  -7.825
   66    H    SER  11           HN       SER  11  -4.196  -8.691  -4.790
   67    HA   SER  11           HA       SER  11  -3.705  -8.095  -2.103
   68    HB2  SER  11           HB2      SER  11  -4.043 -10.669  -2.033
   69    HB3  SER  11           HB1      SER  11  -5.393  -9.624  -2.488
   70    HG   SER  11           HG       SER  11  -5.405 -10.476  -4.351
   71    H    GLY  12           HN       GLY  12  -1.739  -7.914  -1.218
   72    HA2  GLY  12           HA2      GLY  12   0.161  -9.152  -0.410
   73    HA3  GLY  12           HA1      GLY  12   0.317  -9.857  -2.015
   74    H    THR  13           HN       THR  13  -0.513  -6.544  -1.866
   75    HA   THR  13           HA       THR  13   2.012  -5.883  -3.054
   76    HB   THR  13           HB       THR  13  -0.368  -4.108  -2.428
   77    HG1  THR  13           HG1      THR  13  -1.129  -5.382  -3.979
   78   HG21  THR  13          HG21      THR  13   1.753  -2.858  -2.758
   79   HG22  THR  13          HG22      THR  13   0.616  -2.582  -4.076
   80   HG23  THR  13          HG23      THR  13   1.977  -3.678  -4.305
   81    H    CYS  14           HN       CYS  14   3.483  -6.090  -1.488
   82    HA   CYS  14           HA       CYS  14   3.236  -4.523   0.955
   83    HB2  CYS  14           HB2      CYS  14   5.391  -6.462   0.118
   84    HB3  CYS  14           HB1      CYS  14   5.202  -5.741   1.705
   85    H    ALA  15           HN       ALA  15   4.375  -2.669   1.300
   86    HA   ALA  15           HA       ALA  15   6.586  -2.071  -0.485
   87    HB1  ALA  15           HB1      ALA  15   5.744   0.210  -0.815
   88    HB2  ALA  15           HB2      ALA  15   4.288  -0.198   0.091
   89    HB3  ALA  15           HB3      ALA  15   4.614  -0.986  -1.452
   90    H    ASP  16           HN       ASP  16   8.248  -1.023   0.568
   91    HA   ASP  16           HA       ASP  16   7.754  -0.387   3.373
   92    HB2  ASP  16           HB2      ASP  16  10.151  -0.627   3.728
   93    HB3  ASP  16           HB1      ASP  16   9.546  -2.074   2.932
   94    H    PHE  17           HN       PHE  17   8.167   1.616   4.116
   95    HA   PHE  17           HA       PHE  17   9.110   3.587   2.178
   96    HB2  PHE  17           HB2      PHE  17   7.007   3.962   4.323
   97    HB3  PHE  17           HB1      PHE  17   7.537   5.175   3.163
   98    HD1  PHE  17           HD1      PHE  17   6.945   4.854   0.743
   99    HD2  PHE  17           HD2      PHE  17   5.331   2.426   3.836
  100    HE1  PHE  17           HE1      PHE  17   5.125   4.158  -0.755
  101    HE2  PHE  17           HE2      PHE  17   3.510   1.725   2.340
  102    HZ   PHE  17           HZ       PHE  17   3.398   2.581   0.058
  103    HA   PRO  18           HA       PRO  18  12.050   4.416   5.427
  104    HB2  PRO  18           HB2      PRO  18  12.005   7.266   4.670
  105    HB3  PRO  18           HB1      PRO  18  13.340   6.112   4.599
  106    HG2  PRO  18           HG2      PRO  18  12.158   6.971   2.365
  107    HG3  PRO  18           HG1      PRO  18  12.700   5.293   2.535
  108    HD2  PRO  18           HD2      PRO  18   9.938   6.417   2.829
  109    HD3  PRO  18           HD1      PRO  18  10.484   4.964   1.959
  110    H    TRP  19           HN       TRP  19  12.509   6.195   7.159
  111    HA   TRP  19           HA       TRP  19  10.477   6.147   9.025
  112    HB2  TRP  19           HB2      TRP  19  12.773   6.348   9.718
  113    HB3  TRP  19           HB1      TRP  19  12.962   7.860   8.848
  114    HD1  TRP  19           HD1      TRP  19  11.050   6.497  11.950
  115    HE1  TRP  19           HE1      TRP  19  10.834   8.417  13.651
  116    HE3  TRP  19          3HE       TRP  19  13.091  10.274   9.177
  117    HZ2  TRP  19           HZ2      TRP  19  11.437  11.174  13.792
  118    HZ3  TRP  19           HZ3      TRP  19  13.227  12.520  10.165
  119    HH2  TRP  19          2HH       TRP  19  12.416  12.955  12.426
  120    HA   PRO  20           HA       PRO  20   9.366   6.765  10.447
  121    HB2  PRO  20           HB2      PRO  20   7.079   8.012  11.424
  122    HB3  PRO  20           HB1      PRO  20   8.734   8.348  11.936
  123    HG2  PRO  20           HG2      PRO  20   7.019  10.118  10.628
  124    HG3  PRO  20           HG1      PRO  20   8.762  10.332  10.828
  125    HD2  PRO  20           HD2      PRO  20   7.252   9.234   8.469
  126    HD3  PRO  20           HD1      PRO  20   8.679  10.300   8.491
  127    H    LEU  21           HN       LEU  21   8.038   6.643   7.650
  128    HA   LEU  21           HA       LEU  21   5.350   5.832   8.138
  129    HB2  LEU  21           HB2      LEU  21   7.104   5.462   5.717
  130    HB3  LEU  21           HB1      LEU  21   5.386   5.107   5.758
  131    HG   LEU  21           HG       LEU  21   6.656   7.837   6.069
  132   HD11  LEU  21          HD11      LEU  21   6.786   7.044   3.795
  133   HD12  LEU  21          HD12      LEU  21   5.568   8.315   3.920
  134   HD13  LEU  21          HD13      LEU  21   5.073   6.626   3.814
  135   HD21  LEU  21          HD21      LEU  21   3.751   7.032   5.998
  136   HD22  LEU  21          HD22      LEU  21   4.355   8.686   5.958
  137   HD23  LEU  21          HD23      LEU  21   4.624   7.688   7.385
  138    H    GLY  22           HN       GLY  22   8.116   3.903   6.894
  139    HA2  GLY  22           HA2      GLY  22   8.801   1.860   7.852
  140    HA3  GLY  22           HA1      GLY  22   7.255   1.759   8.687
  141    H    HIS  23           HN       HIS  23   7.107  -0.395   7.906
  142    HA   HIS  23           HA       HIS  23   6.771  -0.708   5.038
  143    HB2  HIS  23           HB2      HIS  23   8.136  -2.382   6.210
  144    HB3  HIS  23           HB1      HIS  23   6.788  -2.758   7.271
  145    HD1  HIS  23           HD1      HIS  23   5.176  -4.557   6.459
  146    HD2  HIS  23           HD2      HIS  23   7.730  -3.177   3.488
  147    HE1  HIS  23           HE1      HIS  23   4.845  -6.094   4.488
  148    H    GLN  24           HN       GLN  24   4.873  -1.113   4.069
  149    HA   GLN  24           HA       GLN  24   2.538  -1.689   5.698
  150    HB2  GLN  24           HB2      GLN  24   2.520   0.778   5.207
  151    HB3  GLN  24           HB1      GLN  24   2.628   0.384   3.505
  152    HG2  GLN  24           HG2      GLN  24   0.337   0.940   4.158
  153    HG3  GLN  24           HG1      GLN  24   0.485  -0.700   3.536
  154   HE21  GLN  24          1HE2      GLN  24  -1.348  -1.438   4.568
  155   HE22  GLN  24          2HE2      GLN  24  -1.431  -1.656   6.274
  156    H    CYS  25           HN       CYS  25   1.431  -3.321   4.798
  157    HA   CYS  25           HA       CYS  25   1.813  -3.801   1.955
  158    HB2  CYS  25           HB2      CYS  25   3.241  -5.391   3.198
  159    HB3  CYS  25           HB1      CYS  25   1.830  -5.927   4.107
  160    H    PHE  26           HN       PHE  26   0.079  -4.550   0.908
  161    HA   PHE  26           HA       PHE  26  -2.409  -4.653   2.457
  162    HB2  PHE  26           HB2      PHE  26  -2.067  -4.028  -0.495
  163    HB3  PHE  26           HB1      PHE  26  -3.564  -3.946   0.424
  164    HD1  PHE  26           HD1      PHE  26  -0.727  -2.138  -0.728
  165    HD2  PHE  26           HD2      PHE  26  -3.641  -2.261   2.377
  166    HE1  PHE  26           HE1      PHE  26  -0.262   0.217  -0.202
  167    HE2  PHE  26           HE2      PHE  26  -3.184   0.094   2.902
  168    HZ   PHE  26           HZ       PHE  26  -1.491   1.338   1.614
  169    HA   PRO  27           HA       PRO  27  -1.571  -8.953   1.077
  170    HB2  PRO  27           HB2      PRO  27  -3.338  -9.643   3.311
  171    HB3  PRO  27           HB1      PRO  27  -1.664 -10.124   3.016
  172    HG2  PRO  27           HG2      PRO  27  -2.302  -8.405   4.978
  173    HG3  PRO  27           HG1      PRO  27  -0.803  -8.246   4.045
  174    HD2  PRO  27           HD2      PRO  27  -3.379  -6.760   3.749
  175    HD3  PRO  27           HD1      PRO  27  -1.711  -6.141   3.737
  176    H    ASP  28           HN       ASP  28  -4.576  -7.359   1.726
  177    HA   ASP  28           HA       ASP  28  -6.006  -9.377   0.128
  178    HB2  ASP  28           HB2      ASP  28  -6.964  -8.904   2.360
  179    HB3  ASP  28           HB1      ASP  28  -7.150  -7.213   1.910
  Start of MODEL    5
    1    H1   GLY   1           HN       GLY   1  -7.193  -5.935   0.105
    2    HA2  GLY   1           HA2      GLY   1  -5.923  -3.331  -0.071
    3    HA3  GLY   1           HA1      GLY   1  -6.030  -4.537  -1.348
    4    H    PHE   2           HN       PHE   2  -6.563  -2.457  -2.520
    5    HA   PHE   2           HA       PHE   2  -9.336  -2.243  -2.991
    6    HB2  PHE   2           HB2      PHE   2  -9.635   0.134  -2.271
    7    HB3  PHE   2           HB1      PHE   2  -9.400  -0.955  -0.912
    8    HD1  PHE   2           HD1      PHE   2  -7.991   1.833  -2.827
    9    HD2  PHE   2           HD2      PHE   2  -7.345  -0.849   0.421
   10    HE1  PHE   2           HE1      PHE   2  -6.169   3.264  -2.000
   11    HE2  PHE   2           HE2      PHE   2  -5.525   0.579   1.240
   12    HZ   PHE   2           HZ       PHE   2  -4.936   2.639   0.027
   13    H    CYS   3           HN       CYS   3  -9.736  -0.492  -4.618
   14    HA   CYS   3           HA       CYS   3  -7.271   0.162  -6.036
   15    HB2  CYS   3           HB2      CYS   3  -9.989  -0.515  -7.186
   16    HB3  CYS   3           HB1      CYS   3  -8.657   0.125  -8.131
   17    H    TRP   4           HN       TRP   4  -6.862   2.209  -6.027
   18    HA   TRP   4           HA       TRP   4  -9.032   4.138  -6.143
   19    HB2  TRP   4           HB2      TRP   4  -8.607   4.006  -3.810
   20    HB3  TRP   4           HB1      TRP   4  -6.871   4.038  -4.043
   21    HD1  TRP   4           HD1      TRP   4  -9.727   6.528  -5.047
   22    HE1  TRP   4           HE1      TRP   4  -8.900   8.908  -4.461
   23    HE3  TRP   4          3HE       TRP   4  -5.200   5.352  -3.042
   24    HZ2  TRP   4           HZ2      TRP   4  -6.657  10.097  -3.316
   25    HZ3  TRP   4           HZ3      TRP   4  -3.773   7.174  -2.199
   26    HH2  TRP   4          2HH       TRP   4  -4.492   9.497  -2.331
   27    H    HIS   5           HN       HIS   5  -8.597   5.794  -7.368
   28    HA   HIS   5           HA       HIS   5  -7.811   6.631  -9.238
   29    HB2  HIS   5           HB2      HIS   5  -6.268   8.474  -8.891
   30    HB3  HIS   5           HB1      HIS   5  -7.289   8.298  -7.498
   31    HD1  HIS   5           HD1      HIS   5  -4.815   9.969  -7.145
   32    HD2  HIS   5           HD2      HIS   5  -4.861   5.885  -6.461
   33    HE1  HIS   5           HE1      HIS   5  -2.825   9.503  -5.708
   34    H    HIS   6           HN       HIS   6  -7.394   4.294  -9.710
   35    HA   HIS   6           HA       HIS   6  -6.521   2.924 -11.204
   36    HB2  HIS   6           HB2      HIS   6  -4.491   5.099 -11.786
   37    HB3  HIS   6           HB1      HIS   6  -4.616   3.599 -12.697
   38    HD1  HIS   6           HD1      HIS   6  -5.398   6.908 -13.289
   39    HD2  HIS   6           HD2      HIS   6  -7.703   3.445 -13.407
   40    HE1  HIS   6           HE1      HIS   6  -7.377   7.438 -14.740
   41    H    SER   7           HN       SER   7  -5.406   3.312  -8.331
   42    HA   SER   7           HA       SER   7  -3.085   1.583  -8.740
   43    HB2  SER   7           HB2      SER   7  -2.564   3.774  -7.687
   44    HB3  SER   7           HB1      SER   7  -3.711   3.413  -6.402
   45    HG   SER   7           HG       SER   7  -1.153   2.499  -6.826
   46    H    CYS   8           HN       CYS   8  -3.470  -0.456  -8.207
   47    HA   CYS   8           HA       CYS   8  -5.632  -1.024  -6.338
   48    HB2  CYS   8           HB2      CYS   8  -4.510  -2.668  -8.592
   49    HB3  CYS   8           HB1      CYS   8  -5.570  -3.349  -7.362
   50    H    VAL   9           HN       VAL   9  -5.084  -1.485  -4.463
   51    HA   VAL   9           HA       VAL   9  -2.456  -2.464  -3.748
   52    HB   VAL   9           HB       VAL   9  -4.865  -1.766  -2.036
   53   HG11  VAL   9          HG11      VAL   9  -3.279  -1.645  -0.174
   54   HG12  VAL   9          HG12      VAL   9  -1.995  -2.210  -1.245
   55   HG13  VAL   9          3HG1      VAL   9  -3.359  -3.262  -0.873
   56   HG21  VAL   9          HG21      VAL   9  -3.685   0.329  -1.547
   57   HG22  VAL   9          HG22      VAL   9  -4.075   0.172  -3.260
   58   HG23  VAL   9          HG23      VAL   9  -2.429  -0.123  -2.700
   59    HA   PRO  10           HA       PRO  10  -4.191  -6.667  -3.667
   60    HB2  PRO  10           HB2      PRO  10  -1.653  -7.450  -2.445
   61    HB3  PRO  10           HB1      PRO  10  -2.323  -7.920  -4.006
   62    HG2  PRO  10           HG2      PRO  10  -0.177  -6.293  -3.766
   63    HG3  PRO  10           HG1      PRO  10  -1.330  -6.178  -5.105
   64    HD2  PRO  10           HD2      PRO  10  -1.088  -4.481  -2.659
   65    HD3  PRO  10           HD1      PRO  10  -1.457  -4.027  -4.340
   66    H    SER  11           HN       SER  11  -5.015  -8.019  -2.071
   67    HA   SER  11           HA       SER  11  -5.047  -6.983   0.613
   68    HB2  SER  11           HB2      SER  11  -6.393  -9.404  -0.597
   69    HB3  SER  11           HB1      SER  11  -6.732  -8.720   0.995
   70    HG   SER  11           HG       SER  11  -7.978  -8.116  -1.090
   71    H    GLY  12           HN       GLY  12  -3.225  -7.405   1.758
   72    HA2  GLY  12           HA2      GLY  12  -2.384  -9.243   3.163
   73    HA3  GLY  12           HA1      GLY  12  -2.186 -10.142   1.661
   74    H    THR  13           HN       THR  13  -1.566  -6.974   0.975
   75    HA   THR  13           HA       THR  13   1.209  -7.576   0.823
   76    HB   THR  13           HB       THR  13   0.125  -6.383  -1.069
   77    HG1  THR  13           HG1      THR  13   2.424  -6.084  -0.534
   78   HG21  THR  13          HG21      THR  13  -1.451  -4.948   0.102
   79   HG22  THR  13          HG22      THR  13  -0.354  -3.932  -0.849
   80   HG23  THR  13          HG23      THR  13  -0.125  -4.098   0.886
   81    H    CYS  14           HN       CYS  14   2.256  -7.574   2.571
   82    HA   CYS  14           HA       CYS  14   2.344  -5.102   4.139
   83    HB2  CYS  14           HB2      CYS  14   2.797  -7.902   5.211
   84    HB3  CYS  14           HB1      CYS  14   2.737  -6.411   6.148
   85    H    ALA  15           HN       ALA  15   4.060  -4.143   3.382
   86    HA   ALA  15           HA       ALA  15   6.613  -5.476   3.449
   87    HB1  ALA  15           HB1      ALA  15   5.782  -6.107   1.235
   88    HB2  ALA  15           HB2      ALA  15   7.127  -4.972   1.095
   89    HB3  ALA  15           HB3      ALA  15   5.473  -4.412   0.861
   90    H    ASP  16           HN       ASP  16   8.285  -3.833   2.570
   91    HA   ASP  16           HA       ASP  16   7.677  -1.263   3.772
   92    HB2  ASP  16           HB2      ASP  16  10.147  -0.910   3.709
   93    HB3  ASP  16           HB1      ASP  16   9.683  -2.322   4.646
   94    H    PHE  17           HN       PHE  17   7.122   0.308   2.593
   95    HA   PHE  17           HA       PHE  17   7.682   0.263  -0.264
   96    HB2  PHE  17           HB2      PHE  17   5.715   1.893   1.384
   97    HB3  PHE  17           HB1      PHE  17   5.866   1.972  -0.366
   98    HD1  PHE  17           HD1      PHE  17   4.660  -0.010   2.474
   99    HD2  PHE  17           HD2      PHE  17   4.980   0.192  -1.762
  100    HE1  PHE  17           HE1      PHE  17   3.002  -1.827   2.260
  101    HE2  PHE  17           HE2      PHE  17   3.330  -1.618  -1.978
  102    HZ   PHE  17           HZ       PHE  17   2.341  -2.630   0.032
  103    HA   PRO  18           HA       PRO  18  10.833   3.354  -0.060
  104    HB2  PRO  18           HB2      PRO  18   9.700   5.227  -1.860
  105    HB3  PRO  18           HB1      PRO  18  10.850   3.946  -2.252
  106    HG2  PRO  18           HG2      PRO  18   7.884   3.972  -2.507
  107    HG3  PRO  18           HG1      PRO  18   9.093   3.174  -3.529
  108    HD2  PRO  18           HD2      PRO  18   7.598   1.781  -1.830
  109    HD3  PRO  18           HD1      PRO  18   9.314   1.380  -2.058
  110    H    TRP  19           HN       TRP  19  11.179   4.815   1.427
  111    HA   TRP  19           HA       TRP  19   9.114   5.897   2.961
  112    HB2  TRP  19           HB2      TRP  19  12.043   6.031   3.009
  113    HB3  TRP  19           HB1      TRP  19  11.227   7.381   3.785
  114    HD1  TRP  19           HD1      TRP  19  10.063   6.953   6.048
  115    HE1  TRP  19           HE1      TRP  19   9.931   4.899   7.633
  116    HE3  TRP  19          3HE       TRP  19  11.922   3.449   2.927
  117    HZ2  TRP  19           HZ2      TRP  19  10.534   2.143   7.528
  118    HZ3  TRP  19           HZ3      TRP  19  12.115   1.095   3.707
  119    HH2  TRP  19          2HH       TRP  19  11.430   0.474   5.964
  120    HA   PRO  20           HA       PRO  20   8.999   7.627   4.475
  121    HB2  PRO  20           HB2      PRO  20   6.875   9.573   4.549
  122    HB3  PRO  20           HB1      PRO  20   8.450   9.634   5.339
  123    HG2  PRO  20           HG2      PRO  20   7.771  11.293   3.353
  124    HG3  PRO  20           HG1      PRO  20   9.435  10.740   3.576
  125    HD2  PRO  20           HD2      PRO  20   7.343   9.647   1.697
  126    HD3  PRO  20           HD1      PRO  20   9.026  10.102   1.330
  127    H    LEU  21           HN       LEU  21   7.427   6.343   2.103
  128    HA   LEU  21           HA       LEU  21   4.821   6.013   3.181
  129    HB2  LEU  21           HB2      LEU  21   6.410   4.433   1.163
  130    HB3  LEU  21           HB1      LEU  21   4.853   3.875   1.727
  131    HG   LEU  21           HG       LEU  21   3.752   5.821   0.744
  132   HD11  LEU  21          HD11      LEU  21   5.523   7.487   1.024
  133   HD12  LEU  21          HD12      LEU  21   4.948   7.422  -0.641
  134   HD13  LEU  21          HD13      LEU  21   6.486   6.670  -0.206
  135   HD21  LEU  21          HD21      LEU  21   4.104   3.842  -0.623
  136   HD22  LEU  21          HD22      LEU  21   5.648   4.492  -1.172
  137   HD23  LEU  21          HD23      LEU  21   4.145   5.314  -1.590
  138    H    GLY  22           HN       GLY  22   7.673   3.864   3.161
  139    HA2  GLY  22           HA2      GLY  22   8.561   2.729   4.934
  140    HA3  GLY  22           HA1      GLY  22   7.255   3.329   5.940
  141    H    HIS  23           HN       HIS  23   7.311   1.196   6.796
  142    HA   HIS  23           HA       HIS  23   6.445  -1.032   5.172
  143    HB2  HIS  23           HB2      HIS  23   8.008  -1.371   7.068
  144    HB3  HIS  23           HB1      HIS  23   6.780  -0.768   8.170
  145    HD1  HIS  23           HD1      HIS  23   5.110  -2.467   9.057
  146    HD2  HIS  23           HD2      HIS  23   7.389  -3.900   5.893
  147    HE1  HIS  23           HE1      HIS  23   4.596  -4.936   8.891
  148    H    GLN  24           HN       GLN  24   4.460  -1.473   4.709
  149    HA   GLN  24           HA       GLN  24   2.345  -0.561   6.493
  150    HB2  GLN  24           HB2      GLN  24   2.372  -0.181   3.485
  151    HB3  GLN  24           HB1      GLN  24   0.971   0.092   4.512
  152    HG2  GLN  24           HG2      GLN  24   2.188   1.845   5.704
  153    HG3  GLN  24           HG1      GLN  24   3.589   1.569   4.678
  154   HE21  GLN  24          1HE2      GLN  24   3.532   3.665   4.002
  155   HE22  GLN  24          2HE2      GLN  24   2.375   4.260   2.858
  156    H    CYS  25           HN       CYS  25   0.496  -1.867   6.444
  157    HA   CYS  25           HA       CYS  25   0.821  -4.432   5.080
  158    HB2  CYS  25           HB2      CYS  25   1.771  -4.599   7.361
  159    HB3  CYS  25           HB1      CYS  25   0.249  -4.036   8.025
  160    H    PHE  26           HN       PHE  26  -0.885  -4.410   3.793
  161    HA   PHE  26           HA       PHE  26  -3.464  -3.529   4.906
  162    HB2  PHE  26           HB2      PHE  26  -2.660  -3.776   1.997
  163    HB3  PHE  26           HB1      PHE  26  -4.219  -3.254   2.591
  164    HD1  PHE  26           HD1      PHE  26  -0.901  -2.248   1.706
  165    HD2  PHE  26           HD2      PHE  26  -4.351  -1.111   3.916
  166    HE1  PHE  26           HE1      PHE  26  -0.142   0.082   1.688
  167    HE2  PHE  26           HE2      PHE  26  -3.599   1.222   3.898
  168    HZ   PHE  26           HZ       PHE  26  -1.485   1.821   2.774
  169    HA   PRO  27           HA       PRO  27  -4.223  -8.039   4.620
  170    HB2  PRO  27           HB2      PRO  27  -6.563  -7.279   6.255
  171    HB3  PRO  27           HB1      PRO  27  -5.310  -8.474   6.599
  172    HG2  PRO  27           HG2      PRO  27  -5.431  -6.165   7.950
  173    HG3  PRO  27           HG1      PRO  27  -3.878  -6.905   7.520
  174    HD2  PRO  27           HD2      PRO  27  -5.304  -4.614   6.218
  175    HD3  PRO  27           HD1      PRO  27  -3.579  -4.807   6.591
  176    H    ASP  28           HN       ASP  28  -6.171  -5.270   3.993
  177    HA   ASP  28           HA       ASP  28  -7.671  -6.738   1.969
  178    HB2  ASP  28           HB2      ASP  28  -9.254  -6.388   3.787
  179    HB3  ASP  28           HB1      ASP  28  -8.788  -4.698   3.917
  Start of MODEL    6
    1    H1   GLY   1           HN       GLY   1  -6.526  -5.161   1.790
    2    HA2  GLY   1           HA2      GLY   1  -5.433  -2.437   1.824
    3    HA3  GLY   1           HA1      GLY   1  -5.590  -3.452   0.394
    4    H    PHE   2           HN       PHE   2  -6.722  -1.978  -0.756
    5    HA   PHE   2           HA       PHE   2  -9.509  -1.929  -0.404
    6    HB2  PHE   2           HB2      PHE   2  -9.683   0.602  -0.261
    7    HB3  PHE   2           HB1      PHE   2  -9.177  -0.195   1.219
    8    HD1  PHE   2           HD1      PHE   2  -7.951   1.813  -1.670
    9    HD2  PHE   2           HD2      PHE   2  -7.120   0.336   2.246
   10    HE1  PHE   2           HE1      PHE   2  -6.000   3.303  -1.514
   11    HE2  PHE   2           HE2      PHE   2  -5.167   1.822   2.388
   12    HZ   PHE   2           HZ       PHE   2  -4.609   3.301   0.507
   13    H    CYS   3           HN       CYS   3 -10.499  -1.239  -2.284
   14    HA   CYS   3           HA       CYS   3  -8.851  -0.077  -4.356
   15    HB2  CYS   3           HB2      CYS   3 -10.602  -2.520  -4.754
   16    HB3  CYS   3           HB1      CYS   3  -9.834  -1.611  -6.048
   17    H    TRP   4           HN       TRP   4  -9.740   1.788  -4.158
   18    HA   TRP   4           HA       TRP   4 -12.155   2.372  -5.401
   19    HB2  TRP   4           HB2      TRP   4 -13.562   3.061  -3.548
   20    HB3  TRP   4           HB1      TRP   4 -13.022   1.408  -3.294
   21    HD1  TRP   4           HD1      TRP   4 -10.136   2.329  -1.924
   22    HE1  TRP   4           HE1      TRP   4 -10.240   3.146   0.534
   23    HE3  TRP   4          3HE       TRP   4 -15.097   3.475  -1.647
   24    HZ2  TRP   4           HZ2      TRP   4 -12.148   4.139   2.301
   25    HZ3  TRP   4           HZ3      TRP   4 -15.980   4.342   0.470
   26    HH2  TRP   4          2HH       TRP   4 -14.536   4.662   2.397
   27    H    HIS   5           HN       HIS   5 -12.582   4.789  -5.107
   28    HA   HIS   5           HA       HIS   5 -11.809   6.927  -5.244
   29    HB2  HIS   5           HB2      HIS   5  -9.968   5.924  -3.045
   30    HB3  HIS   5           HB1      HIS   5  -9.950   7.592  -3.576
   31    HD1  HIS   5           HD1      HIS   5 -10.749   8.530  -1.296
   32    HD2  HIS   5           HD2      HIS   5 -13.327   5.681  -2.877
   33    HE1  HIS   5           HE1      HIS   5 -12.834   8.640   0.094
   34    H    HIS   6           HN       HIS   6 -10.797   4.821  -6.905
   35    HA   HIS   6           HA       HIS   6  -9.333   4.327  -8.514
   36    HB2  HIS   6           HB2      HIS   6  -8.453   7.195  -8.091
   37    HB3  HIS   6           HB1      HIS   6  -7.801   6.171  -9.364
   38    HD1  HIS   6           HD1      HIS   6 -10.571   8.466  -8.656
   39    HD2  HIS   6           HD2      HIS   6  -9.835   5.302 -11.250
   40    HE1  HIS   6           HE1      HIS   6 -12.279   8.663 -10.487
   41    H    SER   7           HN       SER   7  -8.638   3.940  -5.629
   42    HA   SER   7           HA       SER   7  -5.755   3.569  -6.009
   43    HB2  SER   7           HB2      SER   7  -7.260   4.061  -3.432
   44    HB3  SER   7           HB1      SER   7  -5.512   3.905  -3.608
   45    HG   SER   7           HG       SER   7  -5.944   5.760  -5.221
   46    H    CYS   8           HN       CYS   8  -5.532   1.389  -6.445
   47    HA   CYS   8           HA       CYS   8  -7.092  -0.443  -4.783
   48    HB2  CYS   8           HB2      CYS   8  -7.927  -0.518  -7.076
   49    HB3  CYS   8           HB1      CYS   8  -6.307  -0.858  -7.671
   50    H    VAL   9           HN       VAL   9  -5.815  -0.976  -3.294
   51    HA   VAL   9           HA       VAL   9  -3.326  -2.245  -4.070
   52    HB   VAL   9           HB       VAL   9  -2.558  -1.884  -1.688
   53   HG11  VAL   9          HG11      VAL   9  -3.167   0.606  -3.274
   54   HG12  VAL   9          HG12      VAL   9  -1.768  -0.448  -3.478
   55   HG13  VAL   9          3HG1      VAL   9  -1.963   0.480  -1.991
   56   HG21  VAL   9          HG21      VAL   9  -4.729  -1.494  -0.619
   57   HG22  VAL   9          HG22      VAL   9  -4.929  -0.010  -1.549
   58   HG23  VAL   9          HG23      VAL   9  -3.646  -0.128  -0.345
   59    HA   PRO  10           HA       PRO  10  -5.783  -5.810  -2.944
   60    HB2  PRO  10           HB2      PRO  10  -3.289  -7.225  -3.688
   61    HB3  PRO  10           HB1      PRO  10  -4.926  -7.443  -4.314
   62    HG2  PRO  10           HG2      PRO  10  -3.050  -6.262  -5.790
   63    HG3  PRO  10           HG1      PRO  10  -4.728  -5.691  -5.814
   64    HD2  PRO  10           HD2      PRO  10  -2.366  -4.546  -4.368
   65    HD3  PRO  10           HD1      PRO  10  -3.660  -3.728  -5.282
   66    H    SER  11           HN       SER  11  -5.908  -6.927  -1.056
   67    HA   SER  11           HA       SER  11  -4.145  -6.468   1.087
   68    HB2  SER  11           HB2      SER  11  -6.147  -8.709   0.723
   69    HB3  SER  11           HB1      SER  11  -5.487  -8.138   2.257
   70    HG   SER  11           HG       SER  11  -7.646  -7.325   1.243
   71    H    GLY  12           HN       GLY  12  -2.182  -7.394   1.495
   72    HA2  GLY  12           HA2      GLY  12  -0.975  -9.482   1.753
   73    HA3  GLY  12           HA1      GLY  12  -1.612  -9.958   0.181
   74    H    THR  13           HN       THR  13  -1.157  -6.852  -0.253
   75    HA   THR  13           HA       THR  13   1.234  -7.212  -1.720
   76    HB   THR  13           HB       THR  13  -0.304  -4.670  -1.137
   77    HG1  THR  13           HG1      THR  13  -1.640  -5.873  -2.286
   78   HG21  THR  13          HG21      THR  13   0.835  -3.787  -3.146
   79   HG22  THR  13          HG22      THR  13   1.766  -5.281  -3.268
   80   HG23  THR  13          HG23      THR  13   1.996  -4.211  -1.888
   81    H    CYS  14           HN       CYS  14   2.972  -7.509  -0.591
   82    HA   CYS  14           HA       CYS  14   3.837  -5.434   1.297
   83    HB2  CYS  14           HB2      CYS  14   4.838  -8.245   0.838
   84    HB3  CYS  14           HB1      CYS  14   5.675  -7.074   1.848
   85    H    ALA  15           HN       ALA  15   5.121  -3.956   0.471
   86    HA   ALA  15           HA       ALA  15   6.990  -4.712  -1.620
   87    HB1  ALA  15           HB1      ALA  15   5.010  -2.450  -1.916
   88    HB2  ALA  15           HB2      ALA  15   5.006  -3.954  -2.838
   89    HB3  ALA  15           HB3      ALA  15   6.334  -2.806  -3.024
   90    H    ASP  16           HN       ASP  16   8.672  -3.113  -1.871
   91    HA   ASP  16           HA       ASP  16   8.965  -1.592   0.583
   92    HB2  ASP  16           HB2      ASP  16  11.389  -1.652   0.195
   93    HB3  ASP  16           HB1      ASP  16  10.714  -3.270   0.279
   94    H    PHE  17           HN       PHE  17   9.058   0.428   0.610
   95    HA   PHE  17           HA       PHE  17   9.004   1.903  -1.938
   96    HB2  PHE  17           HB2      PHE  17   7.520   2.474   0.632
   97    HB3  PHE  17           HB1      PHE  17   7.406   3.454  -0.814
   98    HD1  PHE  17           HD1      PHE  17   6.307   0.471   0.915
   99    HD2  PHE  17           HD2      PHE  17   6.183   2.524  -2.801
  100    HE1  PHE  17           HE1      PHE  17   4.401  -0.922   0.203
  101    HE2  PHE  17           HE2      PHE  17   4.288   1.137  -3.504
  102    HZ   PHE  17           HZ       PHE  17   3.396  -0.595  -1.975
  103    HA   PRO  18           HA       PRO  18  12.571   3.749   0.246
  104    HB2  PRO  18           HB2      PRO  18  13.531   5.146  -1.877
  105    HB3  PRO  18           HB1      PRO  18  13.781   3.407  -1.696
  106    HG2  PRO  18           HG2      PRO  18  11.803   4.874  -3.385
  107    HG3  PRO  18           HG1      PRO  18  12.755   3.433  -3.772
  108    HD2  PRO  18           HD2      PRO  18  10.127   3.348  -3.033
  109    HD3  PRO  18           HD1      PRO  18  11.260   2.019  -2.745
  110    H    TRP  19           HN       TRP  19   9.948   4.833   0.319
  111    HA   TRP  19           HA       TRP  19   9.574   7.367  -0.378
  112    HB2  TRP  19           HB2      TRP  19   7.701   6.163   0.280
  113    HB3  TRP  19           HB1      TRP  19   8.375   5.828   1.860
  114    HD1  TRP  19           HD1      TRP  19   8.701   8.146   3.275
  115    HE1  TRP  19           HE1      TRP  19   6.838  10.005   3.753
  116    HE3  TRP  19          3HE       TRP  19   5.643   7.137  -0.580
  117    HZ2  TRP  19           HZ2      TRP  19   4.408  10.804   2.552
  118    HZ3  TRP  19           HZ3      TRP  19   3.580   8.430  -0.888
  119    HH2  TRP  19          2HH       TRP  19   2.978  10.221   0.645
  120    HA   PRO  20           HA       PRO  20  11.364   5.760   1.984
  121    HB2  PRO  20           HB2      PRO  20  12.795   5.599   4.342
  122    HB3  PRO  20           HB1      PRO  20  13.482   5.940   2.750
  123    HG2  PRO  20           HG2      PRO  20  13.147   7.754   4.990
  124    HG3  PRO  20           HG1      PRO  20  13.976   8.038   3.454
  125    HD2  PRO  20           HD2      PRO  20  11.257   8.820   4.275
  126    HD3  PRO  20           HD1      PRO  20  12.238   9.423   2.924
  127    H    LEU  21           HN       LEU  21   9.782   4.631   2.356
  128    HA   LEU  21           HA       LEU  21   8.492   4.512   4.992
  129    HB2  LEU  21           HB2      LEU  21   7.654   3.766   2.247
  130    HB3  LEU  21           HB1      LEU  21   6.967   2.831   3.547
  131    HG   LEU  21           HG       LEU  21   6.723   5.832   3.221
  132   HD11  LEU  21          HD11      LEU  21   5.482   4.560   1.524
  133   HD12  LEU  21          HD12      LEU  21   4.403   5.362   2.662
  134   HD13  LEU  21          HD13      LEU  21   4.699   3.629   2.802
  135   HD21  LEU  21          HD21      LEU  21   5.469   3.920   5.187
  136   HD22  LEU  21          HD22      LEU  21   5.061   5.621   5.020
  137   HD23  LEU  21          HD23      LEU  21   6.667   5.155   5.570
  138    H    GLY  22           HN       GLY  22  10.059   2.582   2.553
  139    HA2  GLY  22           HA2      GLY  22  11.526   0.797   3.010
  140    HA3  GLY  22           HA1      GLY  22  10.850   0.681   4.634
  141    H    HIS  23           HN       HIS  23  10.553  -1.550   4.357
  142    HA   HIS  23           HA       HIS  23   8.839  -2.538   2.278
  143    HB2  HIS  23           HB2      HIS  23  10.658  -3.911   3.286
  144    HB3  HIS  23           HB1      HIS  23   9.776  -3.907   4.807
  145    HD1  HIS  23           HD1      HIS  23   8.065  -5.753   5.110
  146    HD2  HIS  23           HD2      HIS  23   9.261  -5.273   1.162
  147    HE1  HIS  23           HE1      HIS  23   7.089  -7.695   3.855
  148    H    GLN  24           HN       GLN  24   6.799  -2.071   2.288
  149    HA   GLN  24           HA       GLN  24   5.366  -1.800   4.838
  150    HB2  GLN  24           HB2      GLN  24   4.738  -0.678   2.121
  151    HB3  GLN  24           HB1      GLN  24   3.767  -0.409   3.545
  152    HG2  GLN  24           HG2      GLN  24   6.591   0.528   3.074
  153    HG3  GLN  24           HG1      GLN  24   5.136   1.519   3.030
  154   HE21  GLN  24          1HE2      GLN  24   4.128   2.008   4.954
  155   HE22  GLN  24          2HE2      GLN  24   4.905   1.874   6.482
  156    H    CYS  25           HN       CYS  25   3.665  -3.090   5.165
  157    HA   CYS  25           HA       CYS  25   2.795  -4.816   2.965
  158    HB2  CYS  25           HB2      CYS  25   3.112  -5.420   5.885
  159    HB3  CYS  25           HB1      CYS  25   2.086  -6.397   4.840
  160    H    PHE  26           HN       PHE  26   0.671  -5.078   2.644
  161    HA   PHE  26           HA       PHE  26  -1.119  -3.502   4.347
  162    HB2  PHE  26           HB2      PHE  26  -1.431  -4.309   1.441
  163    HB3  PHE  26           HB1      PHE  26  -2.657  -3.471   2.380
  164    HD1  PHE  26           HD1      PHE  26   0.444  -3.149   0.519
  165    HD2  PHE  26           HD2      PHE  26  -2.277  -1.150   3.110
  166    HE1  PHE  26           HE1      PHE  26   1.427  -0.990  -0.122
  167    HE2  PHE  26           HE2      PHE  26  -1.300   1.005   2.482
  168    HZ   PHE  26           HZ       PHE  26   0.565   1.092   0.857
  169    HA   PRO  27           HA       PRO  27  -2.399  -7.757   5.543
  170    HB2  PRO  27           HB2      PRO  27  -4.053  -6.024   7.327
  171    HB3  PRO  27           HB1      PRO  27  -3.097  -7.451   7.739
  172    HG2  PRO  27           HG2      PRO  27  -2.215  -5.033   8.394
  173    HG3  PRO  27           HG1      PRO  27  -1.095  -6.266   7.785
  174    HD2  PRO  27           HD2      PRO  27  -2.251  -3.896   6.365
  175    HD3  PRO  27           HD1      PRO  27  -0.622  -4.588   6.270
  176    H    ASP  28           HN       ASP  28  -4.528  -4.906   5.370
  177    HA   ASP  28           HA       ASP  28  -6.103  -6.337   3.440
  178    HB2  ASP  28           HB2      ASP  28  -8.215  -5.586   4.337
  179    HB3  ASP  28           HB1      ASP  28  -7.369  -6.368   5.651
  Start of MODEL    7
    1    H1   GLY   1           HN       GLY   1  -7.896  -5.627  -0.075
    2    HA2  GLY   1           HA2      GLY   1  -6.020  -3.428  -0.277
    3    HA3  GLY   1           HA1      GLY   1  -6.607  -4.423  -1.607
    4    H    PHE   2           HN       PHE   2  -6.511  -1.785  -2.012
    5    HA   PHE   2           HA       PHE   2  -9.277  -1.097  -2.271
    6    HB2  PHE   2           HB2      PHE   2  -9.093   1.084  -1.112
    7    HB3  PHE   2           HB1      PHE   2  -8.876  -0.267  -0.009
    8    HD1  PHE   2           HD1      PHE   2  -7.280   2.593  -1.626
    9    HD2  PHE   2           HD2      PHE   2  -6.705  -0.695   1.015
   10    HE1  PHE   2           HE1      PHE   2  -5.175   3.579  -0.869
   11    HE2  PHE   2           HE2      PHE   2  -4.589   0.291   1.781
   12    HZ   PHE   2           HZ       PHE   2  -3.820   2.433   0.837
   13    H    CYS   3           HN       CYS   3  -9.448   1.068  -3.389
   14    HA   CYS   3           HA       CYS   3  -7.143   1.509  -5.121
   15    HB2  CYS   3           HB2      CYS   3 -10.069   1.548  -5.858
   16    HB3  CYS   3           HB1      CYS   3  -8.787   2.151  -6.894
   17    H    TRP   4           HN       TRP   4  -6.420   3.460  -5.134
   18    HA   TRP   4           HA       TRP   4  -8.145   5.761  -4.563
   19    HB2  TRP   4           HB2      TRP   4  -7.064   5.181  -2.399
   20    HB3  TRP   4           HB1      TRP   4  -5.492   5.254  -3.189
   21    HD1  TRP   4           HD1      TRP   4  -8.434   7.545  -2.367
   22    HE1  TRP   4           HE1      TRP   4  -7.616   9.975  -2.171
   23    HE3  TRP   4          3HE       TRP   4  -3.609   6.834  -3.762
   24    HZ2  TRP   4           HZ2      TRP   4  -5.211  11.407  -2.608
   25    HZ3  TRP   4           HZ3      TRP   4  -2.130   8.815  -3.896
   26    HH2  TRP   4          2HH       TRP   4  -2.910  11.012  -3.313
   27    H    HIS   5           HN       HIS   5  -8.002   6.915  -6.182
   28    HA   HIS   5           HA       HIS   5  -7.097   8.437  -7.650
   29    HB2  HIS   5           HB2      HIS   5  -5.803   8.527  -5.415
   30    HB3  HIS   5           HB1      HIS   5  -4.432   8.027  -6.329
   31    HD1  HIS   5           HD1      HIS   5  -3.312  10.011  -7.677
   32    HD2  HIS   5           HD2      HIS   5  -6.960  10.733  -5.937
   33    HE1  HIS   5           HE1      HIS   5  -3.565  12.506  -7.767
   34    H    HIS   6           HN       HIS   6  -7.282   5.832  -8.476
   35    HA   HIS   6           HA       HIS   6  -6.807   4.516 -10.239
   36    HB2  HIS   6           HB2      HIS   6  -6.242   6.684 -11.404
   37    HB3  HIS   6           HB1      HIS   6  -4.563   6.440 -10.948
   38    HD1  HIS   6           HD1      HIS   6  -3.246   5.533 -12.866
   39    HD2  HIS   6           HD2      HIS   6  -7.191   4.251 -12.904
   40    HE1  HIS   6           HE1      HIS   6  -3.510   4.169 -14.973
   41    H    SER   7           HN       SER   7  -5.178   4.583  -7.567
   42    HA   SER   7           HA       SER   7  -3.236   2.587  -8.475
   43    HB2  SER   7           HB2      SER   7  -3.212   4.218  -5.932
   44    HB3  SER   7           HB1      SER   7  -1.931   3.153  -6.530
   45    HG   SER   7           HG       SER   7  -2.928   5.312  -8.019
   46    H    CYS   8           HN       CYS   8  -3.684   0.548  -7.861
   47    HA   CYS   8           HA       CYS   8  -5.613   0.158  -5.688
   48    HB2  CYS   8           HB2      CYS   8  -5.384  -1.415  -8.251
   49    HB3  CYS   8           HB1      CYS   8  -6.421  -1.831  -6.898
   50    H    VAL   9           HN       VAL   9  -4.805  -0.903  -4.089
   51    HA   VAL   9           HA       VAL   9  -2.609  -2.751  -4.593
   52    HB   VAL   9           HB       VAL   9  -2.252  -2.770  -2.113
   53   HG11  VAL   9          HG11      VAL   9  -2.225  -0.019  -3.333
   54   HG12  VAL   9          HG12      VAL   9  -0.944  -1.229  -3.430
   55   HG13  VAL   9          3HG1      VAL   9  -1.350  -0.497  -1.880
   56   HG21  VAL   9          HG21      VAL   9  -4.364  -0.608  -2.044
   57   HG22  VAL   9          HG22      VAL   9  -3.360  -1.105  -0.683
   58   HG23  VAL   9          HG23      VAL   9  -4.522  -2.234  -1.379
   59    HA   PRO  10           HA       PRO  10  -5.739  -5.828  -4.123
   60    HB2  PRO  10           HB2      PRO  10  -4.195  -8.037  -4.305
   61    HB3  PRO  10           HB1      PRO  10  -4.587  -7.034  -5.704
   62    HG2  PRO  10           HG2      PRO  10  -2.076  -7.135  -4.095
   63    HG3  PRO  10           HG1      PRO  10  -2.287  -6.919  -5.841
   64    HD2  PRO  10           HD2      PRO  10  -1.782  -4.871  -4.062
   65    HD3  PRO  10           HD1      PRO  10  -2.553  -4.667  -5.648
   66    H    SER  11           HN       SER  11  -6.526  -7.291  -2.577
   67    HA   SER  11           HA       SER  11  -5.751  -6.921   0.082
   68    HB2  SER  11           HB2      SER  11  -7.439  -9.101  -1.157
   69    HB3  SER  11           HB1      SER  11  -7.419  -8.656   0.552
   70    HG   SER  11           HG       SER  11  -9.097  -7.716  -0.996
   71    H    GLY  12           HN       GLY  12  -4.112  -7.828   1.181
   72    HA2  GLY  12           HA2      GLY  12  -3.033  -9.870   1.897
   73    HA3  GLY  12           HA1      GLY  12  -3.102 -10.413   0.222
   74    H    THR  13           HN       THR  13  -2.440  -7.184   0.258
   75    HA   THR  13           HA       THR  13   0.262  -7.616  -0.504
   76    HB   THR  13           HB       THR  13  -1.345  -5.076  -0.191
   77    HG1  THR  13           HG1      THR  13  -2.083  -6.089  -1.912
   78   HG21  THR  13          HG21      THR  13   1.037  -4.551   0.089
   79   HG22  THR  13          HG22      THR  13   0.466  -3.969  -1.475
   80   HG23  THR  13          HG23      THR  13   1.427  -5.444  -1.377
   81    H    CYS  14           HN       CYS  14   1.379  -8.343   1.158
   82    HA   CYS  14           HA       CYS  14   1.935  -6.433   3.323
   83    HB2  CYS  14           HB2      CYS  14   0.839  -8.567   4.106
   84    HB3  CYS  14           HB1      CYS  14   2.169  -9.461   3.392
   85    H    ALA  15           HN       ALA  15   3.703  -5.411   2.705
   86    HA   ALA  15           HA       ALA  15   6.045  -6.919   1.990
   87    HB1  ALA  15           HB1      ALA  15   4.811  -5.063  -0.044
   88    HB2  ALA  15           HB2      ALA  15   4.855  -6.818  -0.160
   89    HB3  ALA  15           HB3      ALA  15   6.360  -5.896  -0.193
   90    H    ASP  16           HN       ASP  16   7.769  -5.315   1.302
   91    HA   ASP  16           HA       ASP  16   7.734  -3.060   3.117
   92    HB2  ASP  16           HB2      ASP  16  10.158  -2.968   2.690
   93    HB3  ASP  16           HB1      ASP  16   9.681  -4.582   3.195
   94    H    PHE  17           HN       PHE  17   7.874  -1.022   2.421
   95    HA   PHE  17           HA       PHE  17   7.925  -0.465  -0.453
   96    HB2  PHE  17           HB2      PHE  17   5.938   0.589   1.583
   97    HB3  PHE  17           HB1      PHE  17   6.130   1.257  -0.028
   98    HD1  PHE  17           HD1      PHE  17   4.848  -1.528   1.950
   99    HD2  PHE  17           HD2      PHE  17   5.328   0.041  -1.973
  100    HE1  PHE  17           HE1      PHE  17   3.186  -3.131   1.110
  101    HE2  PHE  17           HE2      PHE  17   3.671  -1.555  -2.817
  102    HZ   PHE  17           HZ       PHE  17   2.597  -3.144  -1.284
  103    HA   PRO  18           HA       PRO  18  10.946   2.552   0.606
  104    HB2  PRO  18           HB2      PRO  18  10.137   4.731  -0.892
  105    HB3  PRO  18           HB1      PRO  18  11.053   3.363  -1.528
  106    HG2  PRO  18           HG2      PRO  18   8.110   3.881  -1.632
  107    HG3  PRO  18           HG1      PRO  18   9.180   3.253  -2.899
  108    HD2  PRO  18           HD2      PRO  18   7.601   1.614  -1.520
  109    HD3  PRO  18           HD1      PRO  18   9.250   1.128  -1.954
  110    H    TRP  19           HN       TRP  19  11.321   4.611   1.584
  111    HA   TRP  19           HA       TRP  19   9.774   5.232   3.767
  112    HB2  TRP  19           HB2      TRP  19  12.086   5.891   3.720
  113    HB3  TRP  19           HB1      TRP  19  11.852   6.838   2.262
  114    HD1  TRP  19           HD1      TRP  19  11.062   6.990   6.050
  115    HE1  TRP  19           HE1      TRP  19  10.733   9.458   6.694
  116    HE3  TRP  19          3HE       TRP  19  11.310   9.086   1.420
  117    HZ2  TRP  19           HZ2      TRP  19  10.584  11.954   5.414
  118    HZ3  TRP  19           HZ3      TRP  19  11.056  11.517   1.211
  119    HH2  TRP  19          2HH       TRP  19  10.703  12.912   3.160
  120    HA   PRO  20           HA       PRO  20   8.923   6.404   5.051
  121    HB2  PRO  20           HB2      PRO  20   6.566   7.771   5.855
  122    HB3  PRO  20           HB1      PRO  20   8.234   8.334   5.996
  123    HG2  PRO  20           HG2      PRO  20   6.372   9.532   4.403
  124    HG3  PRO  20           HG1      PRO  20   8.108   9.591   4.096
  125    HD2  PRO  20           HD2      PRO  20   6.082   7.697   2.909
  126    HD3  PRO  20           HD1      PRO  20   7.322   8.669   2.068
  127    H    LEU  21           HN       LEU  21   7.199   4.826   3.021
  128    HA   LEU  21           HA       LEU  21   4.889   4.068   4.526
  129    HB2  LEU  21           HB2      LEU  21   6.160   2.778   2.122
  130    HB3  LEU  21           HB1      LEU  21   4.644   2.267   2.833
  131    HG   LEU  21           HG       LEU  21   5.196   4.917   1.511
  132   HD11  LEU  21          HD11      LEU  21   3.526   2.556   0.677
  133   HD12  LEU  21          HD12      LEU  21   5.016   3.124  -0.085
  134   HD13  LEU  21          HD13      LEU  21   3.559   4.114  -0.141
  135   HD21  LEU  21          HD21      LEU  21   2.656   3.857   2.756
  136   HD22  LEU  21          HD22      LEU  21   2.787   5.327   1.792
  137   HD23  LEU  21          HD23      LEU  21   3.619   5.218   3.339
  138    H    GLY  22           HN       GLY  22   7.978   2.466   3.784
  139    HA2  GLY  22           HA2      GLY  22   9.208   1.072   5.114
  140    HA3  GLY  22           HA1      GLY  22   8.083   1.377   6.424
  141    H    HIS  23           HN       HIS  23   6.702  -0.186   6.950
  142    HA   HIS  23           HA       HIS  23   6.508  -2.494   5.136
  143    HB2  HIS  23           HB2      HIS  23   6.292  -2.426   8.161
  144    HB3  HIS  23           HB1      HIS  23   5.984  -3.845   7.172
  145    HD1  HIS  23           HD1      HIS  23   8.656  -2.105   8.948
  146    HD2  HIS  23           HD2      HIS  23   8.366  -4.756   5.759
  147    HE1  HIS  23           HE1      HIS  23  10.943  -3.111   8.677
  148    H    GLN  24           HN       GLN  24   4.596  -2.740   4.250
  149    HA   GLN  24           HA       GLN  24   2.257  -1.714   5.689
  150    HB2  GLN  24           HB2      GLN  24   2.825  -1.431   2.731
  151    HB3  GLN  24           HB1      GLN  24   1.292  -1.044   3.497
  152    HG2  GLN  24           HG2      GLN  24   3.907   0.265   4.189
  153    HG3  GLN  24           HG1      GLN  24   2.727   0.922   3.057
  154   HE21  GLN  24          1HE2      GLN  24   3.786   1.843   5.697
  155   HE22  GLN  24          2HE2      GLN  24   2.375   2.172   6.618
  156    H    CYS  25           HN       CYS  25   0.799  -3.205   5.994
  157    HA   CYS  25           HA       CYS  25   0.610  -5.389   4.097
  158    HB2  CYS  25           HB2      CYS  25   0.679  -5.737   7.106
  159    HB3  CYS  25           HB1      CYS  25   0.352  -7.017   5.942
  160    H    PHE  26           HN       PHE  26  -1.129  -4.902   3.192
  161    HA   PHE  26           HA       PHE  26  -3.440  -3.959   4.691
  162    HB2  PHE  26           HB2      PHE  26  -3.051  -4.208   1.699
  163    HB3  PHE  26           HB1      PHE  26  -4.373  -3.385   2.513
  164    HD1  PHE  26           HD1      PHE  26  -1.134  -3.047   1.089
  165    HD2  PHE  26           HD2      PHE  26  -3.750  -1.381   4.003
  166    HE1  PHE  26           HE1      PHE  26   0.169  -0.969   1.060
  167    HE2  PHE  26           HE2      PHE  26  -2.454   0.699   3.981
  168    HZ   PHE  26           HZ       PHE  26  -0.488   0.914   2.511
  169    HA   PRO  27           HA       PRO  27  -4.875  -8.271   4.391
  170    HB2  PRO  27           HB2      PRO  27  -7.123  -7.867   5.920
  171    HB3  PRO  27           HB1      PRO  27  -5.533  -8.207   6.607
  172    HG2  PRO  27           HG2      PRO  27  -6.951  -5.598   6.305
  173    HG3  PRO  27           HG1      PRO  27  -5.951  -6.179   7.646
  174    HD2  PRO  27           HD2      PRO  27  -5.068  -4.421   5.795
  175    HD3  PRO  27           HD1      PRO  27  -3.992  -5.582   6.597
  176    H    ASP  28           HN       ASP  28  -6.569  -5.295   3.828
  177    HA   ASP  28           HA       ASP  28  -8.135  -6.549   1.743
  178    HB2  ASP  28           HB2      ASP  28  -9.973  -5.005   2.206
  179    HB3  ASP  28           HB1      ASP  28  -9.621  -5.928   3.656
  Start of MODEL    8
    1    H1   GLY   1           HN       GLY   1  -7.773  -5.916  -0.788
    2    HA2  GLY   1           HA2      GLY   1  -5.949  -3.888  -1.448
    3    HA3  GLY   1           HA1      GLY   1  -6.825  -4.896  -2.590
    4    H    PHE   2           HN       PHE   2  -6.284  -2.267  -3.122
    5    HA   PHE   2           HA       PHE   2  -8.929  -1.176  -3.346
    6    HB2  PHE   2           HB2      PHE   2  -8.293   1.008  -2.337
    7    HB3  PHE   2           HB1      PHE   2  -8.354  -0.306  -1.170
    8    HD1  PHE   2           HD1      PHE   2  -6.318   2.256  -2.704
    9    HD2  PHE   2           HD2      PHE   2  -6.193  -1.272  -0.329
   10    HE1  PHE   2           HE1      PHE   2  -4.046   2.822  -1.977
   11    HE2  PHE   2           HE2      PHE   2  -3.914  -0.697   0.392
   12    HZ   PHE   2           HZ       PHE   2  -2.842   1.349  -0.434
   13    H    CYS   3           HN       CYS   3  -9.133   0.115  -5.108
   14    HA   CYS   3           HA       CYS   3  -6.684   0.756  -6.608
   15    HB2  CYS   3           HB2      CYS   3  -9.486   0.435  -7.703
   16    HB3  CYS   3           HB1      CYS   3  -8.015   0.631  -8.634
   17    H    TRP   4           HN       TRP   4  -6.365   2.915  -7.121
   18    HA   TRP   4           HA       TRP   4  -8.338   4.870  -7.346
   19    HB2  TRP   4           HB2      TRP   4  -8.220   6.093  -5.298
   20    HB3  TRP   4           HB1      TRP   4  -8.436   4.390  -4.891
   21    HD1  TRP   4           HD1      TRP   4  -5.294   3.548  -4.988
   22    HE1  TRP   4           HE1      TRP   4  -3.738   4.356  -3.098
   23    HE3  TRP   4          3HE       TRP   4  -8.099   7.447  -3.241
   24    HZ2  TRP   4           HZ2      TRP   4  -3.715   6.371  -1.142
   25    HZ3  TRP   4           HZ3      TRP   4  -7.240   8.758  -1.348
   26    HH2  TRP   4          2HH       TRP   4  -5.093   8.227  -0.319
   27    H    HIS   5           HN       HIS   5  -7.331   7.014  -7.688
   28    HA   HIS   5           HA       HIS   5  -5.726   8.387  -8.531
   29    HB2  HIS   5           HB2      HIS   5  -4.011   6.655  -6.744
   30    HB3  HIS   5           HB1      HIS   5  -3.282   7.911  -7.723
   31    HD1  HIS   5           HD1      HIS   5  -2.597   9.546  -5.889
   32    HD2  HIS   5           HD2      HIS   5  -6.537   8.283  -5.507
   33    HE1  HIS   5           HE1      HIS   5  -3.603  10.978  -4.102
   34    H    HIS   6           HN       HIS   6  -6.538   5.887  -9.823
   35    HA   HIS   6           HA       HIS   6  -6.185   4.642 -11.625
   36    HB2  HIS   6           HB2      HIS   6  -4.126   6.770 -12.233
   37    HB3  HIS   6           HB1      HIS   6  -4.421   5.419 -13.324
   38    HD1  HIS   6           HD1      HIS   6  -6.397   5.637 -14.900
   39    HD2  HIS   6           HD2      HIS   6  -6.403   8.491 -11.876
   40    HE1  HIS   6           HE1      HIS   6  -8.279   7.236 -15.441
   41    H    SER   7           HN       SER   7  -4.732   4.135  -9.096
   42    HA   SER   7           HA       SER   7  -2.861   2.216 -10.241
   43    HB2  SER   7           HB2      SER   7  -1.650   4.160  -9.158
   44    HB3  SER   7           HB1      SER   7  -2.460   3.750  -7.648
   45    HG   SER   7           HG       SER   7  -0.218   2.850  -8.408
   46    H    CYS   8           HN       CYS   8  -2.639   0.352  -8.595
   47    HA   CYS   8           HA       CYS   8  -4.802   0.236  -6.736
   48    HB2  CYS   8           HB2      CYS   8  -5.925  -0.391  -8.863
   49    HB3  CYS   8           HB1      CYS   8  -4.790  -1.724  -9.041
   50    H    VAL   9           HN       VAL   9  -4.446  -1.077  -5.137
   51    HA   VAL   9           HA       VAL   9  -2.090  -2.825  -5.266
   52    HB   VAL   9           HB       VAL   9  -3.296  -1.441  -2.841
   53   HG11  VAL   9          HG11      VAL   9  -1.283  -2.191  -1.669
   54   HG12  VAL   9          HG12      VAL   9  -0.765  -3.038  -3.128
   55   HG13  VAL   9          3HG1      VAL   9  -2.232  -3.544  -2.288
   56   HG21  VAL   9          HG21      VAL   9  -1.283  -0.038  -2.812
   57   HG22  VAL   9          HG22      VAL   9  -2.225   0.200  -4.286
   58   HG23  VAL   9          HG23      VAL   9  -0.755  -0.774  -4.326
   59    HA   PRO  10           HA       PRO  10  -5.673  -5.583  -4.678
   60    HB2  PRO  10           HB2      PRO  10  -3.782  -7.766  -5.133
   61    HB3  PRO  10           HB1      PRO  10  -5.188  -7.304  -6.092
   62    HG2  PRO  10           HG2      PRO  10  -2.657  -6.954  -6.984
   63    HG3  PRO  10           HG1      PRO  10  -3.978  -5.855  -7.415
   64    HD2  PRO  10           HD2      PRO  10  -1.825  -5.510  -5.357
   65    HD3  PRO  10           HD1      PRO  10  -2.488  -4.336  -6.522
   66    H    SER  11           HN       SER  11  -5.990  -7.636  -3.323
   67    HA   SER  11           HA       SER  11  -4.942  -7.179  -0.706
   68    HB2  SER  11           HB2      SER  11  -6.655  -9.447  -1.742
   69    HB3  SER  11           HB1      SER  11  -6.416  -9.013  -0.051
   70    HG   SER  11           HG       SER  11  -8.252  -8.130  -1.665
   71    H    GLY  12           HN       GLY  12  -3.309  -8.321   0.340
   72    HA2  GLY  12           HA2      GLY  12  -2.176 -10.442   0.650
   73    HA3  GLY  12           HA1      GLY  12  -2.190 -10.625  -1.101
   74    H    THR  13           HN       THR  13  -1.784  -7.492  -0.611
   75    HA   THR  13           HA       THR  13   0.993  -7.653  -1.260
   76    HB   THR  13           HB       THR  13  -0.737  -5.185  -1.034
   77    HG1  THR  13           HG1      THR  13  -1.753  -6.117  -2.653
   78   HG21  THR  13          HG21      THR  13   1.789  -5.798  -2.594
   79   HG22  THR  13          HG22      THR  13   1.700  -4.806  -1.139
   80   HG23  THR  13          HG23      THR  13   0.913  -4.268  -2.623
   81    H    CYS  14           HN       CYS  14   2.234  -7.902   0.363
   82    HA   CYS  14           HA       CYS  14   2.156  -5.988   2.572
   83    HB2  CYS  14           HB2      CYS  14   3.264  -8.794   2.437
   84    HB3  CYS  14           HB1      CYS  14   3.648  -7.675   3.738
   85    H    ALA  15           HN       ALA  15   3.429  -4.393   1.961
   86    HA   ALA  15           HA       ALA  15   6.053  -5.085   0.852
   87    HB1  ALA  15           HB1      ALA  15   5.914  -3.202  -0.684
   88    HB2  ALA  15           HB2      ALA  15   4.290  -2.832  -0.107
   89    HB3  ALA  15           HB3      ALA  15   4.594  -4.336  -0.977
   90    H    ASP  16           HN       ASP  16   7.718  -3.680   1.415
   91    HA   ASP  16           HA       ASP  16   7.083  -2.074   3.743
   92    HB2  ASP  16           HB2      ASP  16   9.538  -2.135   4.192
   93    HB3  ASP  16           HB1      ASP  16   8.782  -3.720   4.187
   94    H    PHE  17           HN       PHE  17   6.727  -0.123   3.452
   95    HA   PHE  17           HA       PHE  17   8.068   1.399   1.310
   96    HB2  PHE  17           HB2      PHE  17   5.633   2.080   2.984
   97    HB3  PHE  17           HB1      PHE  17   6.232   3.054   1.660
   98    HD1  PHE  17           HD1      PHE  17   4.564  -0.086   2.627
   99    HD2  PHE  17           HD2      PHE  17   5.474   2.585  -0.559
  100    HE1  PHE  17           HE1      PHE  17   2.899  -1.208   1.229
  101    HE2  PHE  17           HE2      PHE  17   3.811   1.451  -1.973
  102    HZ   PHE  17           HZ       PHE  17   2.512  -0.453  -1.064
  103    HA   PRO  18           HA       PRO  18  10.507   2.075   5.147
  104    HB2  PRO  18           HB2      PRO  18  11.855   3.980   3.289
  105    HB3  PRO  18           HB1      PRO  18  12.559   2.819   4.416
  106    HG2  PRO  18           HG2      PRO  18  12.461   2.262   1.824
  107    HG3  PRO  18           HG1      PRO  18  12.139   1.007   3.030
  108    HD2  PRO  18           HD2      PRO  18  10.225   2.479   1.277
  109    HD3  PRO  18           HD1      PRO  18  10.176   0.801   1.852
  110    H    TRP  19           HN       TRP  19  10.321   5.118   3.318
  111    HA   TRP  19           HA       TRP  19   9.889   6.435   5.858
  112    HB2  TRP  19           HB2      TRP  19  11.702   7.298   4.621
  113    HB3  TRP  19           HB1      TRP  19  10.727   7.477   3.168
  114    HD1  TRP  19           HD1      TRP  19  10.498   8.880   6.798
  115    HE1  TRP  19           HE1      TRP  19   9.948  11.395   6.628
  116    HE3  TRP  19          3HE       TRP  19  10.276   9.336   1.717
  117    HZ2  TRP  19           HZ2      TRP  19   9.492  13.308   4.626
  118    HZ3  TRP  19           HZ3      TRP  19   9.783  11.551   0.753
  119    HH2  TRP  19          2HH       TRP  19   9.399  13.488   2.182
  120    HA   PRO  20           HA       PRO  20   8.639   6.320   7.174
  121    HB2  PRO  20           HB2      PRO  20   6.929   7.688   8.640
  122    HB3  PRO  20           HB1      PRO  20   8.123   8.575   7.684
  123    HG2  PRO  20           HG2      PRO  20   5.207   8.387   7.291
  124    HG3  PRO  20           HG1      PRO  20   6.345   9.582   6.658
  125    HD2  PRO  20           HD2      PRO  20   5.318   7.149   5.401
  126    HD3  PRO  20           HD1      PRO  20   6.169   8.515   4.650
  127    H    LEU  21           HN       LEU  21   7.061   4.502   5.652
  128    HA   LEU  21           HA       LEU  21   4.621   4.037   7.221
  129    HB2  LEU  21           HB2      LEU  21   5.519   2.824   4.658
  130    HB3  LEU  21           HB1      LEU  21   4.032   2.363   5.434
  131    HG   LEU  21           HG       LEU  21   3.411   4.891   5.099
  132   HD11  LEU  21          HD11      LEU  21   5.451   4.543   2.914
  133   HD12  LEU  21          HD12      LEU  21   5.687   5.531   4.338
  134   HD13  LEU  21          HD13      LEU  21   4.412   5.946   3.182
  135   HD21  LEU  21          HD21      LEU  21   3.530   2.905   2.849
  136   HD22  LEU  21          HD22      LEU  21   2.546   4.364   2.879
  137   HD23  LEU  21          HD23      LEU  21   2.247   3.079   4.052
  138    H    GLY  22           HN       GLY  22   7.072   2.006   5.728
  139    HA2  GLY  22           HA2      GLY  22   8.325   0.401   6.943
  140    HA3  GLY  22           HA1      GLY  22   7.007   0.318   8.117
  141    H    HIS  23           HN       HIS  23   6.926  -1.941   7.801
  142    HA   HIS  23           HA       HIS  23   6.214  -3.005   5.236
  143    HB2  HIS  23           HB2      HIS  23   7.448  -4.307   6.995
  144    HB3  HIS  23           HB1      HIS  23   5.981  -4.295   7.962
  145    HD1  HIS  23           HD1      HIS  23   4.613  -6.380   7.698
  146    HD2  HIS  23           HD2      HIS  23   6.872  -5.522   4.320
  147    HE1  HIS  23           HE1      HIS  23   4.147  -8.218   6.074
  148    H    GLN  24           HN       GLN  24   4.299  -2.711   4.382
  149    HA   GLN  24           HA       GLN  24   1.993  -2.335   6.155
  150    HB2  GLN  24           HB2      GLN  24   2.559  -1.228   3.419
  151    HB3  GLN  24           HB1      GLN  24   1.028  -1.022   4.237
  152    HG2  GLN  24           HG2      GLN  24   3.702  -0.015   5.203
  153    HG3  GLN  24           HG1      GLN  24   2.472   0.950   4.396
  154   HE21  GLN  24          1HE2      GLN  24   3.378  -0.648   7.357
  155   HE22  GLN  24          2HE2      GLN  24   2.170   0.110   8.334
  156    H    CYS  25           HN       CYS  25   0.559  -3.878   6.073
  157    HA   CYS  25           HA       CYS  25   0.209  -5.459   3.629
  158    HB2  CYS  25           HB2      CYS  25  -0.372  -6.161   6.521
  159    HB3  CYS  25           HB1      CYS  25  -0.880  -7.137   5.152
  160    H    PHE  26           HN       PHE  26  -1.462  -4.642   2.585
  161    HA   PHE  26           HA       PHE  26  -3.445  -3.137   4.049
  162    HB2  PHE  26           HB2      PHE  26  -3.259  -3.743   1.089
  163    HB3  PHE  26           HB1      PHE  26  -4.409  -2.630   1.817
  164    HD1  PHE  26           HD1      PHE  26  -1.131  -3.029   0.465
  165    HD2  PHE  26           HD2      PHE  26  -3.455  -0.624   3.098
  166    HE1  PHE  26           HE1      PHE  26   0.537  -1.230   0.292
  167    HE2  PHE  26           HE2      PHE  26  -1.792   1.178   2.923
  168    HZ   PHE  26           HZ       PHE  26   0.208   0.878   1.520
  169    HA   PRO  27           HA       PRO  27  -5.737  -6.833   5.017
  170    HB2  PRO  27           HB2      PRO  27  -7.960  -4.890   5.351
  171    HB3  PRO  27           HB1      PRO  27  -7.363  -6.119   6.464
  172    HG2  PRO  27           HG2      PRO  27  -6.811  -3.544   6.871
  173    HG3  PRO  27           HG1      PRO  27  -5.611  -4.803   7.206
  174    HD2  PRO  27           HD2      PRO  27  -5.762  -2.891   4.925
  175    HD3  PRO  27           HD1      PRO  27  -4.346  -3.542   5.780
  176    H    ASP  28           HN       ASP  28  -7.135  -4.336   2.958
  177    HA   ASP  28           HA       ASP  28  -8.205  -6.392   1.211
  178    HB2  ASP  28           HB2      ASP  28  -9.691  -3.844   1.938
  179    HB3  ASP  28           HB1      ASP  28 -10.242  -5.110   0.854
  Start of MODEL    9
    1    H1   GLY   1           HN       GLY   1  -5.240  -5.148   1.789
    2    HA2  GLY   1           HA2      GLY   1  -4.589  -4.959  -0.437
    3    HA3  GLY   1           HA1      GLY   1  -5.671  -6.268  -0.865
    4    H    PHE   2           HN       PHE   2  -5.305  -3.677  -2.105
    5    HA   PHE   2           HA       PHE   2  -8.110  -2.933  -2.144
    6    HB2  PHE   2           HB2      PHE   2  -7.672  -0.551  -2.069
    7    HB3  PHE   2           HB1      PHE   2  -7.024  -1.287  -0.615
    8    HD1  PHE   2           HD1      PHE   2  -6.292   0.568  -3.638
    9    HD2  PHE   2           HD2      PHE   2  -4.557  -1.484  -0.341
   10    HE1  PHE   2           HE1      PHE   2  -4.146   1.665  -4.090
   11    HE2  PHE   2           HE2      PHE   2  -2.414  -0.393  -0.788
   12    HZ   PHE   2           HZ       PHE   2  -2.199   1.184  -2.663
   13    H    CYS   3           HN       CYS   3  -8.697  -1.845  -4.110
   14    HA   CYS   3           HA       CYS   3  -6.764  -1.544  -6.193
   15    HB2  CYS   3           HB2      CYS   3  -7.254  -3.973  -6.296
   16    HB3  CYS   3           HB1      CYS   3  -8.967  -3.603  -6.456
   17    H    TRP   4           HN       TRP   4  -7.320   0.479  -6.676
   18    HA   TRP   4           HA       TRP   4  -9.817   0.970  -7.934
   19    HB2  TRP   4           HB2      TRP   4 -10.768   2.549  -6.419
   20    HB3  TRP   4           HB1      TRP   4 -10.278   1.148  -5.469
   21    HD1  TRP   4           HD1      TRP   4  -7.171   2.076  -5.030
   22    HE1  TRP   4           HE1      TRP   4  -6.713   4.017  -3.384
   23    HE3  TRP   4          3HE       TRP   4 -11.820   4.188  -4.925
   24    HZ2  TRP   4           HZ2      TRP   4  -8.125   6.145  -2.225
   25    HZ3  TRP   4           HZ3      TRP   4 -12.185   6.165  -3.513
   26    HH2  TRP   4          2HH       TRP   4 -10.373   7.118  -2.187
   27    H    HIS   5           HN       HIS   5  -9.743   3.075  -8.997
   28    HA   HIS   5           HA       HIS   5  -8.677   4.722 -10.195
   29    HB2  HIS   5           HB2      HIS   5  -6.930   4.730  -7.716
   30    HB3  HIS   5           HB1      HIS   5  -6.663   5.843  -9.037
   31    HD1  HIS   5           HD1      HIS   5  -7.316   8.051  -7.983
   32    HD2  HIS   5           HD2      HIS   5 -10.108   5.053  -7.266
   33    HE1  HIS   5           HE1      HIS   5  -9.222   9.139  -6.738
   34    H    HIS   6           HN       HIS   6  -7.895   1.839 -10.373
   35    HA   HIS   6           HA       HIS   6  -6.444   0.432 -11.309
   36    HB2  HIS   6           HB2      HIS   6  -5.319   2.942 -12.580
   37    HB3  HIS   6           HB1      HIS   6  -4.805   1.316 -13.016
   38    HD1  HIS   6           HD1      HIS   6  -7.411   3.841 -13.722
   39    HD2  HIS   6           HD2      HIS   6  -6.897  -0.260 -14.215
   40    HE1  HIS   6           HE1      HIS   6  -9.145   3.114 -15.398
   41    H    SER   7           HN       SER   7  -5.815   1.960  -8.755
   42    HA   SER   7           HA       SER   7  -2.972   1.328  -8.581
   43    HB2  SER   7           HB2      SER   7  -4.757   2.864  -6.660
   44    HB3  SER   7           HB1      SER   7  -2.995   2.757  -6.610
   45    HG   SER   7           HG       SER   7  -3.451   3.614  -8.961
   46    H    CYS   8           HN       CYS   8  -2.930  -0.799  -8.106
   47    HA   CYS   8           HA       CYS   8  -4.823  -1.742  -6.097
   48    HB2  CYS   8           HB2      CYS   8  -4.057  -3.245  -8.598
   49    HB3  CYS   8           HB1      CYS   8  -5.217  -3.749  -7.372
   50    H    VAL   9           HN       VAL   9  -3.854  -2.487  -4.457
   51    HA   VAL   9           HA       VAL   9  -1.377  -3.967  -4.780
   52    HB   VAL   9           HB       VAL   9  -2.046  -2.024  -2.521
   53   HG11  VAL   9          HG11      VAL   9  -0.828  -3.963  -1.709
   54   HG12  VAL   9          HG12      VAL   9   0.191  -2.523  -1.675
   55   HG13  VAL   9          3HG1      VAL   9   0.401  -3.721  -2.950
   56   HG21  VAL   9          HG21      VAL   9   0.108  -1.851  -4.633
   57   HG22  VAL   9          HG22      VAL   9  -0.107  -0.729  -3.290
   58   HG23  VAL   9          HG23      VAL   9  -1.340  -0.849  -4.545
   59    HA   PRO  10           HA       PRO  10  -4.569  -6.588  -2.981
   60    HB2  PRO  10           HB2      PRO  10  -3.449  -8.946  -3.651
   61    HB3  PRO  10           HB1      PRO  10  -4.315  -7.941  -4.819
   62    HG2  PRO  10           HG2      PRO  10  -1.373  -8.210  -4.365
   63    HG3  PRO  10           HG1      PRO  10  -2.262  -8.135  -5.895
   64    HD2  PRO  10           HD2      PRO  10  -0.965  -6.012  -4.810
   65    HD3  PRO  10           HD1      PRO  10  -2.401  -5.843  -5.840
   66    H    SER  11           HN       SER  11  -4.541  -8.459  -1.526
   67    HA   SER  11           HA       SER  11  -3.184  -7.924   0.855
   68    HB2  SER  11           HB2      SER  11  -5.341  -8.999   0.848
   69    HB3  SER  11           HB1      SER  11  -4.741 -10.340  -0.109
   70    HG   SER  11           HG       SER  11  -4.616  -9.878   2.597
   71    H    GLY  12           HN       GLY  12  -1.085  -8.226   1.188
   72    HA2  GLY  12           HA2      GLY  12   0.564  -9.979   1.633
   73    HA3  GLY  12           HA1      GLY  12   0.142 -10.651   0.059
   74    H    THR  13           HN       THR  13  -0.119  -7.775  -0.899
   75    HA   THR  13           HA       THR  13   2.644  -7.572  -1.646
   76    HB   THR  13           HB       THR  13   0.262  -5.875  -2.466
   77    HG1  THR  13           HG1      THR  13   0.590  -8.315  -3.024
   78   HG21  THR  13          HG21      THR  13   2.458  -4.758  -2.788
   79   HG22  THR  13          HG22      THR  13   1.680  -5.148  -4.321
   80   HG23  THR  13          HG23      THR  13   3.003  -6.147  -3.729
   81    H    CYS  14           HN       CYS  14   3.959  -6.547  -0.415
   82    HA   CYS  14           HA       CYS  14   2.978  -4.436   1.314
   83    HB2  CYS  14           HB2      CYS  14   4.225  -6.351   2.333
   84    HB3  CYS  14           HB1      CYS  14   5.635  -5.889   1.393
   85    H    ALA  15           HN       ALA  15   3.231  -2.454   0.746
   86    HA   ALA  15           HA       ALA  15   4.985  -1.876  -1.509
   87    HB1  ALA  15           HB1      ALA  15   3.652   0.137  -1.770
   88    HB2  ALA  15           HB2      ALA  15   2.762  -0.254  -0.307
   89    HB3  ALA  15           HB3      ALA  15   2.619  -1.295  -1.728
   90    H    ASP  16           HN       ASP  16   6.479  -0.262  -1.454
   91    HA   ASP  16           HA       ASP  16   7.340   0.547   1.201
   92    HB2  ASP  16           HB2      ASP  16   9.525   1.000   0.140
   93    HB3  ASP  16           HB1      ASP  16   9.012  -0.657  -0.120
   94    H    PHE  17           HN       PHE  17   6.996   2.499   1.862
   95    HA   PHE  17           HA       PHE  17   6.664   4.691  -0.076
   96    HB2  PHE  17           HB2      PHE  17   5.116   4.229   2.484
   97    HB3  PHE  17           HB1      PHE  17   4.940   5.626   1.444
   98    HD1  PHE  17           HD1      PHE  17   3.534   2.642   2.399
   99    HD2  PHE  17           HD2      PHE  17   4.336   4.908  -1.102
  100    HE1  PHE  17           HE1      PHE  17   1.699   1.487   1.235
  101    HE2  PHE  17           HE2      PHE  17   2.498   3.753  -2.268
  102    HZ   PHE  17           HZ       PHE  17   1.182   2.043  -1.094
  103    HA   PRO  18           HA       PRO  18   9.603   6.880   2.535
  104    HB2  PRO  18           HB2      PRO  18   8.500   9.388   2.667
  105    HB3  PRO  18           HB1      PRO  18   9.388   8.782   1.264
  106    HG2  PRO  18           HG2      PRO  18   6.430   8.891   1.725
  107    HG3  PRO  18           HG1      PRO  18   7.349   9.320   0.270
  108    HD2  PRO  18           HD2      PRO  18   6.077   6.986   0.446
  109    HD3  PRO  18           HD1      PRO  18   7.664   7.104  -0.336
  110    H    TRP  19           HN       TRP  19   9.665   8.334   4.523
  111    HA   TRP  19           HA       TRP  19   8.244   7.133   6.705
  112    HB2  TRP  19           HB2      TRP  19  10.617   8.098   6.643
  113    HB3  TRP  19           HB1      TRP  19   9.858   9.679   6.668
  114    HD1  TRP  19           HD1      TRP  19   8.543  10.285   8.886
  115    HE1  TRP  19           HE1      TRP  19   8.965   9.575  11.354
  116    HE3  TRP  19          3HE       TRP  19  11.368   6.192   8.011
  117    HZ2  TRP  19           HZ2      TRP  19  10.349   7.511  12.709
  118    HZ3  TRP  19           HZ3      TRP  19  12.220   4.881   9.914
  119    HH2  TRP  19          2HH       TRP  19  11.717   5.531  12.216
  120    HA   PRO  20           HA       PRO  20   7.462   7.460   8.600
  121    HB2  PRO  20           HB2      PRO  20   5.330   7.575  10.147
  122    HB3  PRO  20           HB1      PRO  20   6.459   8.936  10.075
  123    HG2  PRO  20           HG2      PRO  20   3.756   8.653   8.860
  124    HG3  PRO  20           HG1      PRO  20   4.557  10.099   9.495
  125    HD2  PRO  20           HD2      PRO  20   4.396   9.277   6.781
  126    HD3  PRO  20           HD1      PRO  20   5.353  10.618   7.436
  127    H    LEU  21           HN       LEU  21   5.952   6.826   5.991
  128    HA   LEU  21           HA       LEU  21   4.042   4.868   6.874
  129    HB2  LEU  21           HB2      LEU  21   5.034   5.531   4.113
  130    HB3  LEU  21           HB1      LEU  21   3.667   4.491   4.482
  131    HG   LEU  21           HG       LEU  21   3.836   7.451   5.070
  132   HD11  LEU  21          HD11      LEU  21   3.651   7.022   2.704
  133   HD12  LEU  21          HD12      LEU  21   2.132   7.664   3.337
  134   HD13  LEU  21          HD13      LEU  21   2.290   5.940   2.995
  135   HD21  LEU  21          HD21      LEU  21   2.454   6.294   6.706
  136   HD22  LEU  21          HD22      LEU  21   1.560   5.505   5.407
  137   HD23  LEU  21          HD23      LEU  21   1.452   7.253   5.615
  138    H    GLY  22           HN       GLY  22   6.899   4.620   4.669
  139    HA2  GLY  22           HA2      GLY  22   8.572   3.064   4.698
  140    HA3  GLY  22           HA1      GLY  22   7.944   2.449   6.222
  141    H    HIS  23           HN       HIS  23   7.700   0.317   5.908
  142    HA   HIS  23           HA       HIS  23   6.622  -0.575   3.386
  143    HB2  HIS  23           HB2      HIS  23   7.854  -2.062   5.676
  144    HB3  HIS  23           HB1      HIS  23   6.974  -2.907   4.403
  145    HD1  HIS  23           HD1      HIS  23  10.239  -2.703   5.199
  146    HD2  HIS  23           HD2      HIS  23   8.165  -1.392   1.850
  147    HE1  HIS  23           HE1      HIS  23  11.934  -2.561   3.348
  148    H    GLN  24           HN       GLN  24   4.619  -0.202   3.266
  149    HA   GLN  24           HA       GLN  24   2.904  -1.020   5.447
  150    HB2  GLN  24           HB2      GLN  24   2.332   0.518   2.930
  151    HB3  GLN  24           HB1      GLN  24   1.060  -0.009   4.018
  152    HG2  GLN  24           HG2      GLN  24   3.317   1.885   4.661
  153    HG3  GLN  24           HG1      GLN  24   1.612   2.277   4.438
  154   HE21  GLN  24          1HE2      GLN  24   0.653  -0.053   5.930
  155   HE22  GLN  24          2HE2      GLN  24   0.993   0.270   7.590
  156    H    CYS  25           HN       CYS  25   2.705  -3.021   5.464
  157    HA   CYS  25           HA       CYS  25   2.466  -4.565   3.034
  158    HB2  CYS  25           HB2      CYS  25   2.528  -5.470   5.915
  159    HB3  CYS  25           HB1      CYS  25   2.634  -6.512   4.502
  160    H    PHE  26           HN       PHE  26   0.513  -4.481   2.156
  161    HA   PHE  26           HA       PHE  26  -1.787  -3.971   3.766
  162    HB2  PHE  26           HB2      PHE  26  -1.477  -4.474   0.805
  163    HB3  PHE  26           HB1      PHE  26  -3.004  -4.057   1.572
  164    HD1  PHE  26           HD1      PHE  26   0.252  -2.843   0.505
  165    HD2  PHE  26           HD2      PHE  26  -3.356  -1.818   2.499
  166    HE1  PHE  26           HE1      PHE  26   0.834  -0.468   0.332
  167    HE2  PHE  26           HE2      PHE  26  -2.775   0.564   2.325
  168    HZ   PHE  26           HZ       PHE  26  -0.676   1.237   1.245
  169    HA   PRO  27           HA       PRO  27  -2.456  -8.344   4.252
  170    HB2  PRO  27           HB2      PRO  27  -3.920  -8.220   6.473
  171    HB3  PRO  27           HB1      PRO  27  -2.190  -7.867   6.506
  172    HG2  PRO  27           HG2      PRO  27  -4.506  -5.996   6.552
  173    HG3  PRO  27           HG1      PRO  27  -2.971  -5.896   7.428
  174    HD2  PRO  27           HD2      PRO  27  -3.577  -4.528   5.086
  175    HD3  PRO  27           HD1      PRO  27  -1.945  -4.824   5.712
  176    H    ASP  28           HN       ASP  28  -4.745  -5.864   3.625
  177    HA   ASP  28           HA       ASP  28  -6.817  -7.908   3.222
  178    HB2  ASP  28           HB2      ASP  28  -7.389  -6.043   4.806
  179    HB3  ASP  28           HB1      ASP  28  -7.259  -4.925   3.457
  Start of MODEL   10
    1    H1   GLY   1           HN       GLY   1  -6.527  -7.361  -1.189
    2    HA2  GLY   1           HA2      GLY   1  -5.113  -4.859  -1.037
    3    HA3  GLY   1           HA1      GLY   1  -5.640  -5.682  -2.498
    4    H    PHE   2           HN       PHE   2  -5.982  -3.167  -2.648
    5    HA   PHE   2           HA       PHE   2  -8.804  -2.722  -2.546
    6    HB2  PHE   2           HB2      PHE   2  -8.651  -0.630  -1.223
    7    HB3  PHE   2           HB1      PHE   2  -8.185  -2.019  -0.255
    8    HD1  PHE   2           HD1      PHE   2  -7.224   1.202  -1.504
    9    HD2  PHE   2           HD2      PHE   2  -5.694  -2.422   0.131
   10    HE1  PHE   2           HE1      PHE   2  -5.130   2.343  -0.927
   11    HE2  PHE   2           HE2      PHE   2  -3.600  -1.276   0.706
   12    HZ   PHE   2           HZ       PHE   2  -3.316   1.106   0.177
   13    H    CYS   3           HN       CYS   3  -9.150  -0.391  -3.533
   14    HA   CYS   3           HA       CYS   3  -6.894   0.341  -5.171
   15    HB2  CYS   3           HB2      CYS   3  -8.117  -1.390  -6.473
   16    HB3  CYS   3           HB1      CYS   3  -9.559  -0.383  -6.400
   17    H    TRP   4           HN       TRP   4  -6.694   2.443  -5.061
   18    HA   TRP   4           HA       TRP   4  -8.957   4.151  -5.410
   19    HB2  TRP   4           HB2      TRP   4  -8.881   5.307  -3.324
   20    HB3  TRP   4           HB1      TRP   4  -8.802   3.595  -2.935
   21    HD1  TRP   4           HD1      TRP   4  -5.557   3.297  -3.252
   22    HE1  TRP   4           HE1      TRP   4  -4.067   4.354  -1.434
   23    HE3  TRP   4          3HE       TRP   4  -8.897   6.616  -1.281
   24    HZ2  TRP   4           HZ2      TRP   4  -4.292   6.302   0.574
   25    HZ3  TRP   4           HZ3      TRP   4  -8.178   8.036   0.589
   26    HH2  TRP   4          2HH       TRP   4  -5.924   7.876   1.498
   27    H    HIS   5           HN       HIS   5  -8.196   6.367  -5.860
   28    HA   HIS   5           HA       HIS   5  -6.780   7.825  -6.943
   29    HB2  HIS   5           HB2      HIS   5  -4.698   6.319  -5.317
   30    HB3  HIS   5           HB1      HIS   5  -4.291   7.683  -6.336
   31    HD1  HIS   5           HD1      HIS   5  -3.810   9.587  -4.811
   32    HD2  HIS   5           HD2      HIS   5  -7.050   7.350  -3.510
   33    HE1  HIS   5           HE1      HIS   5  -4.641  10.706  -2.709
   34    H    HIS   6           HN       HIS   6  -7.515   5.252  -8.065
   35    HA   HIS   6           HA       HIS   6  -7.211   3.920  -9.849
   36    HB2  HIS   6           HB2      HIS   6  -5.014   5.873 -10.617
   37    HB3  HIS   6           HB1      HIS   6  -5.567   4.564 -11.649
   38    HD1  HIS   6           HD1      HIS   6  -7.553   5.095 -13.159
   39    HD2  HIS   6           HD2      HIS   6  -7.005   7.891 -10.128
   40    HE1  HIS   6           HE1      HIS   6  -9.158   6.980 -13.645
   41    H    SER   7           HN       SER   7  -5.362   3.845  -7.306
   42    HA   SER   7           HA       SER   7  -3.290   2.115  -8.402
   43    HB2  SER   7           HB2      SER   7  -3.568   3.302  -5.623
   44    HB3  SER   7           HB1      SER   7  -2.159   2.459  -6.269
   45    HG   SER   7           HG       SER   7  -2.921   4.481  -7.885
   46    H    CYS   8           HN       CYS   8  -4.286   0.165  -8.662
   47    HA   CYS   8           HA       CYS   8  -5.900  -0.887  -6.487
   48    HB2  CYS   8           HB2      CYS   8  -5.277  -2.108  -9.186
   49    HB3  CYS   8           HB1      CYS   8  -6.376  -2.774  -7.996
   50    H    VAL   9           HN       VAL   9  -4.627  -1.501  -4.896
   51    HA   VAL   9           HA       VAL   9  -2.117  -2.852  -5.342
   52    HB   VAL   9           HB       VAL   9  -3.655  -2.407  -2.758
   53   HG11  VAL   9          HG11      VAL   9  -1.490  -2.742  -1.655
   54   HG12  VAL   9          HG12      VAL   9  -0.757  -3.103  -3.218
   55   HG13  VAL   9          3HG1      VAL   9  -1.999  -4.168  -2.559
   56   HG21  VAL   9          HG21      VAL   9  -2.150  -0.496  -2.372
   57   HG22  VAL   9          HG22      VAL   9  -3.152  -0.267  -3.805
   58   HG23  VAL   9          HG23      VAL   9  -1.460  -0.732  -3.978
   59    HA   PRO  10           HA       PRO  10  -4.466  -6.693  -5.668
   60    HB2  PRO  10           HB2      PRO  10  -1.779  -7.910  -5.618
   61    HB3  PRO  10           HB1      PRO  10  -3.051  -8.072  -6.833
   62    HG2  PRO  10           HG2      PRO  10  -0.870  -6.636  -7.336
   63    HG3  PRO  10           HG1      PRO  10  -2.461  -6.093  -7.896
   64    HD2  PRO  10           HD2      PRO  10  -0.871  -5.157  -5.533
   65    HD3  PRO  10           HD1      PRO  10  -1.796  -4.219  -6.730
   66    H    SER  11           HN       SER  11  -4.955  -8.422  -4.345
   67    HA   SER  11           HA       SER  11  -4.427  -8.056  -1.594
   68    HB2  SER  11           HB2      SER  11  -5.772 -10.348  -3.039
   69    HB3  SER  11           HB1      SER  11  -5.853 -10.024  -1.306
   70    HG   SER  11           HG       SER  11  -7.653  -9.208  -2.407
   71    H    GLY  12           HN       GLY  12  -2.425  -8.442  -0.845
   72    HA2  GLY  12           HA2      GLY  12  -1.197 -10.423  -0.017
   73    HA3  GLY  12           HA1      GLY  12  -1.077 -10.878  -1.719
   74    H    THR  13           HN       THR  13  -1.060  -7.832  -2.186
   75    HA   THR  13           HA       THR  13   1.774  -7.743  -2.358
   76    HB   THR  13           HB       THR  13  -0.311  -5.750  -3.253
   77    HG1  THR  13           HG1      THR  13   0.687  -8.113  -4.153
   78   HG21  THR  13          HG21      THR  13   1.482  -4.883  -4.704
   79   HG22  THR  13          HG22      THR  13   2.611  -6.051  -4.020
   80   HG23  THR  13          HG23      THR  13   1.958  -4.762  -3.010
   81    H    CYS  14           HN       CYS  14   2.961  -7.065  -0.934
   82    HA   CYS  14           HA       CYS  14   2.177  -5.028   1.006
   83    HB2  CYS  14           HB2      CYS  14   3.214  -7.139   1.848
   84    HB3  CYS  14           HB1      CYS  14   4.637  -6.806   0.872
   85    H    ALA  15           HN       ALA  15   3.179  -3.039   0.971
   86    HA   ALA  15           HA       ALA  15   5.151  -2.696  -1.156
   87    HB1  ALA  15           HB1      ALA  15   2.862  -0.822  -0.592
   88    HB2  ALA  15           HB2      ALA  15   2.990  -1.916  -1.971
   89    HB3  ALA  15           HB3      ALA  15   4.135  -0.586  -1.788
   90    H    ASP  16           HN       ASP  16   6.762  -1.284  -0.758
   91    HA   ASP  16           HA       ASP  16   7.031  -0.438   1.991
   92    HB2  ASP  16           HB2      ASP  16   9.399   0.009   1.448
   93    HB3  ASP  16           HB1      ASP  16   8.949  -1.623   0.994
   94    H    PHE  17           HN       PHE  17   5.987   1.331   2.396
   95    HA   PHE  17           HA       PHE  17   5.819   3.419   0.416
   96    HB2  PHE  17           HB2      PHE  17   4.555   3.078   3.136
   97    HB3  PHE  17           HB1      PHE  17   4.347   4.519   2.146
   98    HD1  PHE  17           HD1      PHE  17   2.833   4.535   0.320
   99    HD2  PHE  17           HD2      PHE  17   3.650   0.911   2.381
  100    HE1  PHE  17           HE1      PHE  17   0.936   3.465  -0.812
  101    HE2  PHE  17           HE2      PHE  17   1.761  -0.160   1.246
  102    HZ   PHE  17           HZ       PHE  17   0.395   1.122  -0.357
  103    HA   PRO  18           HA       PRO  18   9.439   5.276   2.217
  104    HB2  PRO  18           HB2      PRO  18   8.669   7.596   0.552
  105    HB3  PRO  18           HB1      PRO  18  10.179   6.689   0.564
  106    HG2  PRO  18           HG2      PRO  18   8.434   6.442  -1.452
  107    HG3  PRO  18           HG1      PRO  18   9.376   5.060  -0.866
  108    HD2  PRO  18           HD2      PRO  18   6.514   5.759  -0.335
  109    HD3  PRO  18           HD1      PRO  18   7.269   4.178  -0.652
  110    H    TRP  19           HN       TRP  19   9.727   6.645   3.865
  111    HA   TRP  19           HA       TRP  19   8.855   8.997   4.257
  112    HB2  TRP  19           HB2      TRP  19   6.521   8.687   4.536
  113    HB3  TRP  19           HB1      TRP  19   6.772   7.333   5.627
  114    HD1  TRP  19           HD1      TRP  19   7.958   8.114   7.902
  115    HE1  TRP  19           HE1      TRP  19   7.222  10.065   9.532
  116    HE3  TRP  19          3HE       TRP  19   5.379  10.837   4.576
  117    HZ2  TRP  19           HZ2      TRP  19   5.665  12.455   9.280
  118    HZ3  TRP  19           HZ3      TRP  19   4.279  12.923   5.279
  119    HH2  TRP  19          2HH       TRP  19   4.422  13.707   7.586
  120    HA   PRO  20           HA       PRO  20   9.309   5.808   5.205
  121    HB2  PRO  20           HB2      PRO  20   9.905   3.900   7.053
  122    HB3  PRO  20           HB1      PRO  20  11.072   4.554   5.902
  123    HG2  PRO  20           HG2      PRO  20  10.799   5.081   8.793
  124    HG3  PRO  20           HG1      PRO  20  12.214   5.261   7.748
  125    HD2  PRO  20           HD2      PRO  20  10.441   7.318   8.666
  126    HD3  PRO  20           HD1      PRO  20  11.806   7.490   7.551
  127    H    LEU  21           HN       LEU  21   7.107   5.696   4.948
  128    HA   LEU  21           HA       LEU  21   5.401   5.337   7.219
  129    HB2  LEU  21           HB2      LEU  21   4.976   4.804   4.270
  130    HB3  LEU  21           HB1      LEU  21   3.719   4.570   5.465
  131    HG   LEU  21           HG       LEU  21   5.003   7.208   4.727
  132   HD11  LEU  21          HD11      LEU  21   3.554   6.352   2.988
  133   HD12  LEU  21          HD12      LEU  21   2.830   7.741   3.797
  134   HD13  LEU  21          HD13      LEU  21   2.265   6.112   4.167
  135   HD21  LEU  21          HD21      LEU  21   4.348   7.147   7.083
  136   HD22  LEU  21          HD22      LEU  21   2.737   6.595   6.624
  137   HD23  LEU  21          HD23      LEU  21   3.289   8.200   6.150
  138    H    GLY  22           HN       GLY  22   7.363   3.526   5.293
  139    HA2  GLY  22           HA2      GLY  22   8.363   1.475   5.965
  140    HA3  GLY  22           HA1      GLY  22   7.060   1.260   7.118
  141    H    HIS  23           HN       HIS  23   7.397  -0.921   6.249
  142    HA   HIS  23           HA       HIS  23   6.369  -1.503   3.610
  143    HB2  HIS  23           HB2      HIS  23   7.209  -3.356   5.855
  144    HB3  HIS  23           HB1      HIS  23   6.835  -3.846   4.209
  145    HD1  HIS  23           HD1      HIS  23   9.544  -2.270   6.287
  146    HD2  HIS  23           HD2      HIS  23   8.824  -3.312   2.331
  147    HE1  HIS  23           HE1      HIS  23  11.761  -2.134   5.123
  148    H    GLN  24           HN       GLN  24   4.249  -1.275   3.423
  149    HA   GLN  24           HA       GLN  24   2.555  -2.241   5.607
  150    HB2  GLN  24           HB2      GLN  24   1.838  -0.513   3.233
  151    HB3  GLN  24           HB1      GLN  24   0.720  -1.017   4.492
  152    HG2  GLN  24           HG2      GLN  24   3.136   0.747   4.866
  153    HG3  GLN  24           HG1      GLN  24   1.448   1.258   4.828
  154   HE21  GLN  24          1HE2      GLN  24   3.511   1.488   6.939
  155   HE22  GLN  24          2HE2      GLN  24   2.784   0.785   8.327
  156    H    CYS  25           HN       CYS  25   1.845  -4.185   5.409
  157    HA   CYS  25           HA       CYS  25   1.865  -5.405   2.773
  158    HB2  CYS  25           HB2      CYS  25   1.879  -6.687   5.503
  159    HB3  CYS  25           HB1      CYS  25   1.922  -7.542   3.966
  160    H    PHE  26           HN       PHE  26  -0.028  -5.686   1.753
  161    HA   PHE  26           HA       PHE  26  -2.432  -5.706   3.421
  162    HB2  PHE  26           HB2      PHE  26  -2.205  -5.009   0.493
  163    HB3  PHE  26           HB1      PHE  26  -3.626  -4.843   1.510
  164    HD1  PHE  26           HD1      PHE  26  -0.696  -3.301   0.253
  165    HD2  PHE  26           HD2      PHE  26  -3.501  -3.167   3.443
  166    HE1  PHE  26           HE1      PHE  26  -0.020  -0.999   0.737
  167    HE2  PHE  26           HE2      PHE  26  -2.821  -0.850   3.939
  168    HZ   PHE  26           HZ       PHE  26  -1.076   0.232   2.582
  169    HA   PRO  27           HA       PRO  27  -2.602 -10.027   1.784
  170    HB2  PRO  27           HB2      PRO  27  -4.637 -10.141   3.943
  171    HB3  PRO  27           HB1      PRO  27  -3.289 -11.237   3.628
  172    HG2  PRO  27           HG2      PRO  27  -3.213  -9.558   5.690
  173    HG3  PRO  27           HG1      PRO  27  -1.758  -9.886   4.730
  174    HD2  PRO  27           HD2      PRO  27  -3.585  -7.519   4.649
  175    HD3  PRO  27           HD1      PRO  27  -1.813  -7.574   4.578
  176    H    ASP  28           HN       ASP  28  -4.966  -7.626   2.608
  177    HA   ASP  28           HA       ASP  28  -6.722  -8.566   0.466
  178    HB2  ASP  28           HB2      ASP  28  -7.930  -8.636   2.596
  179    HB3  ASP  28           HB1      ASP  28  -7.426  -6.991   2.968
  Start of MODEL   11
    1    H1   GLY   1           HN       GLY   1  -6.318  -7.992  -1.152
    2    HA2  GLY   1           HA2      GLY   1  -5.376  -5.321  -1.431
    3    HA3  GLY   1           HA1      GLY   1  -5.753  -6.447  -2.720
    4    H    PHE   2           HN       PHE   2  -6.301  -3.675  -2.593
    5    HA   PHE   2           HA       PHE   2  -9.196  -3.690  -2.976
    6    HB2  PHE   2           HB2      PHE   2  -7.819  -1.690  -1.153
    7    HB3  PHE   2           HB1      PHE   2  -9.475  -1.572  -1.707
    8    HD1  PHE   2           HD1      PHE   2  -7.252  -2.874   0.777
    9    HD2  PHE   2           HD2      PHE   2 -11.111  -3.359  -0.948
   10    HE1  PHE   2           HE1      PHE   2  -7.984  -4.097   2.771
   11    HE2  PHE   2           HE2      PHE   2 -11.845  -4.592   1.051
   12    HZ   PHE   2           HZ       PHE   2 -10.284  -4.959   2.913
   13    H    CYS   3           HN       CYS   3  -9.833  -2.177  -4.482
   14    HA   CYS   3           HA       CYS   3  -7.696  -0.663  -5.764
   15    HB2  CYS   3           HB2      CYS   3 -10.529  -1.240  -6.682
   16    HB3  CYS   3           HB1      CYS   3  -9.350  -0.288  -7.579
   17    H    TRP   4           HN       TRP   4  -7.341   1.070  -4.631
   18    HA   TRP   4           HA       TRP   4  -9.378   3.056  -4.427
   19    HB2  TRP   4           HB2      TRP   4  -9.439   3.247  -2.024
   20    HB3  TRP   4           HB1      TRP   4  -9.755   1.576  -2.465
   21    HD1  TRP   4           HD1      TRP   4  -6.506   0.813  -2.708
   22    HE1  TRP   4           HE1      TRP   4  -5.214   0.487  -0.508
   23    HE3  TRP   4          3HE       TRP   4  -9.686   3.248   0.465
   24    HZ2  TRP   4           HZ2      TRP   4  -5.514   1.173   2.225
   25    HZ3  TRP   4           HZ3      TRP   4  -9.111   3.362   2.852
   26    HH2  TRP   4          2HH       TRP   4  -7.070   2.342   3.703
   27    H    HIS   5           HN       HIS   5  -8.358   5.081  -3.465
   28    HA   HIS   5           HA       HIS   5  -6.739   6.668  -3.588
   29    HB2  HIS   5           HB2      HIS   5  -5.008   4.283  -2.884
   30    HB3  HIS   5           HB1      HIS   5  -4.332   5.889  -3.035
   31    HD1  HIS   5           HD1      HIS   5  -3.847   6.637  -0.657
   32    HD2  HIS   5           HD2      HIS   5  -7.499   4.690  -0.984
   33    HE1  HIS   5           HE1      HIS   5  -4.840   6.623   1.646
   34    H    HIS   6           HN       HIS   6  -7.567   5.153  -5.948
   35    HA   HIS   6           HA       HIS   6  -7.230   5.062  -8.157
   36    HB2  HIS   6           HB2      HIS   6  -6.522   7.416  -7.911
   37    HB3  HIS   6           HB1      HIS   6  -4.882   6.908  -7.569
   38    HD1  HIS   6           HD1      HIS   6  -3.464   7.500  -9.537
   39    HD2  HIS   6           HD2      HIS   6  -7.226   6.187 -10.701
   40    HE1  HIS   6           HE1      HIS   6  -3.447   7.516 -12.043
   41    H    SER   7           HN       SER   7  -6.035   3.114  -6.307
   42    HA   SER   7           HA       SER   7  -4.314   1.852  -8.262
   43    HB2  SER   7           HB2      SER   7  -2.626   1.339  -6.413
   44    HB3  SER   7           HB1      SER   7  -2.613   2.968  -7.092
   45    HG   SER   7           HG       SER   7  -4.342   2.761  -5.002
   46    H    CYS   8           HN       CYS   8  -4.392  -0.361  -8.219
   47    HA   CYS   8           HA       CYS   8  -6.097  -1.562  -6.185
   48    HB2  CYS   8           HB2      CYS   8  -5.056  -2.687  -8.796
   49    HB3  CYS   8           HB1      CYS   8  -6.049  -3.576  -7.649
   50    H    VAL   9           HN       VAL   9  -4.907  -1.738  -4.478
   51    HA   VAL   9           HA       VAL   9  -2.226  -2.631  -4.671
   52    HB   VAL   9           HB       VAL   9  -2.220  -2.573  -2.162
   53   HG11  VAL   9          HG11      VAL   9  -3.353  -0.120  -3.503
   54   HG12  VAL   9          HG12      VAL   9  -1.651  -0.577  -3.424
   55   HG13  VAL   9          3HG1      VAL   9  -2.517  -0.143  -1.950
   56   HG21  VAL   9          HG21      VAL   9  -4.175  -1.660  -0.976
   57   HG22  VAL   9          HG22      VAL   9  -4.553  -3.197  -1.752
   58   HG23  VAL   9          HG23      VAL   9  -5.097  -1.686  -2.481
   59    HA   PRO  10           HA       PRO  10  -3.438  -6.896  -4.529
   60    HB2  PRO  10           HB2      PRO  10  -0.748  -7.759  -4.084
   61    HB3  PRO  10           HB1      PRO  10  -1.628  -7.690  -5.608
   62    HG2  PRO  10           HG2      PRO  10   0.529  -6.088  -5.003
   63    HG3  PRO  10           HG1      PRO  10  -0.726  -5.660  -6.176
   64    HD2  PRO  10           HD2      PRO  10  -0.425  -4.803  -3.324
   65    HD3  PRO  10           HD1      PRO  10  -0.864  -3.858  -4.761
   66    H    SER  11           HN       SER  11  -3.557  -8.776  -3.272
   67    HA   SER  11           HA       SER  11  -3.719  -8.323  -0.448
   68    HB2  SER  11           HB2      SER  11  -4.185 -10.869  -2.001
   69    HB3  SER  11           HB1      SER  11  -4.788 -10.470  -0.393
   70    HG   SER  11           HG       SER  11  -5.973 -10.031  -2.673
   71    H    GLY  12           HN       GLY  12  -1.737  -8.336   0.654
   72    HA2  GLY  12           HA2      GLY  12  -0.394  -9.877   1.880
   73    HA3  GLY  12           HA1      GLY  12  -0.208 -10.820   0.401
   74    H    THR  13           HN       THR  13  -0.194  -7.788  -0.627
   75    HA   THR  13           HA       THR  13   2.659  -7.839  -0.831
   76    HB   THR  13           HB       THR  13   0.611  -6.058  -2.144
   77    HG1  THR  13           HG1      THR  13   1.404  -8.587  -2.567
   78   HG21  THR  13          HG21      THR  13   2.433  -5.443  -3.688
   79   HG22  THR  13          HG22      THR  13   3.555  -6.439  -2.767
   80   HG23  THR  13          HG23      THR  13   2.852  -4.998  -2.033
   81    H    CYS  14           HN       CYS  14   3.709  -7.012   0.661
   82    HA   CYS  14           HA       CYS  14   2.953  -4.541   2.008
   83    HB2  CYS  14           HB2      CYS  14   5.287  -6.415   2.419
   84    HB3  CYS  14           HB1      CYS  14   5.066  -4.912   3.306
   85    H    ALA  15           HN       ALA  15   3.296  -2.837   0.817
   86    HA   ALA  15           HA       ALA  15   5.642  -2.725  -0.902
   87    HB1  ALA  15           HB1      ALA  15   3.498  -2.103  -1.901
   88    HB2  ALA  15           HB2      ALA  15   4.580  -0.711  -1.845
   89    HB3  ALA  15           HB3      ALA  15   3.273  -0.863  -0.670
   90    H    ASP  16           HN       ASP  16   7.388  -1.581  -0.332
   91    HA   ASP  16           HA       ASP  16   7.306  -0.154   2.181
   92    HB2  ASP  16           HB2      ASP  16   9.735  -0.085   2.001
   93    HB3  ASP  16           HB1      ASP  16   9.151  -1.733   1.807
   94    H    PHE  17           HN       PHE  17   7.404   1.955   2.370
   95    HA   PHE  17           HA       PHE  17   8.056   3.502  -0.007
   96    HB2  PHE  17           HB2      PHE  17   5.871   4.041   1.987
   97    HB3  PHE  17           HB1      PHE  17   6.393   5.208   0.777
   98    HD1  PHE  17           HD1      PHE  17   4.458   2.254   1.497
   99    HD2  PHE  17           HD2      PHE  17   5.909   4.755  -1.610
  100    HE1  PHE  17           HE1      PHE  17   2.799   1.296  -0.042
  101    HE2  PHE  17           HE2      PHE  17   4.259   3.797  -3.158
  102    HZ   PHE  17           HZ       PHE  17   2.693   2.051  -2.353
  103    HA   PRO  18           HA       PRO  18  10.958   4.881   3.336
  104    HB2  PRO  18           HB2      PRO  18  12.510   5.509   0.891
  105    HB3  PRO  18           HB1      PRO  18  13.016   4.617   2.330
  106    HG2  PRO  18           HG2      PRO  18  12.601   3.323   0.069
  107    HG3  PRO  18           HG1      PRO  18  12.009   2.636   1.594
  108    HD2  PRO  18           HD2      PRO  18  10.494   4.178  -0.486
  109    HD3  PRO  18           HD1      PRO  18  10.065   2.640   0.299
  110    H    TRP  19           HN       TRP  19   8.804   6.281   2.085
  111    HA   TRP  19           HA       TRP  19   9.355   8.563   0.859
  112    HB2  TRP  19           HB2      TRP  19   7.181   7.792   0.720
  113    HB3  TRP  19           HB1      TRP  19   7.013   7.795   2.468
  114    HD1  TRP  19           HD1      TRP  19   7.121  10.290   3.482
  115    HE1  TRP  19           HE1      TRP  19   5.754  12.455   2.697
  116    HE3  TRP  19          3HE       TRP  19   6.123   8.847  -1.227
  117    HZ2  TRP  19           HZ2      TRP  19   4.458  13.285   0.333
  118    HZ3  TRP  19           HZ3      TRP  19   4.824  10.317  -2.714
  119    HH2  TRP  19          2HH       TRP  19   4.012  12.490  -1.949
  120    HA   PRO  20           HA       PRO  20   9.425   7.320   3.991
  121    HB2  PRO  20           HB2      PRO  20   9.550   7.662   6.771
  122    HB3  PRO  20           HB1      PRO  20  10.909   7.307   5.696
  123    HG2  PRO  20           HG2      PRO  20  10.394   9.739   7.105
  124    HG3  PRO  20           HG1      PRO  20  11.685   9.428   5.935
  125    HD2  PRO  20           HD2      PRO  20   9.055  10.764   5.538
  126    HD3  PRO  20           HD1      PRO  20  10.586  10.999   4.665
  127    H    LEU  21           HN       LEU  21   7.554   6.552   3.700
  128    HA   LEU  21           HA       LEU  21   5.286   7.267   5.476
  129    HB2  LEU  21           HB2      LEU  21   5.336   5.680   2.911
  130    HB3  LEU  21           HB1      LEU  21   3.932   5.734   3.947
  131    HG   LEU  21           HG       LEU  21   5.132   8.076   2.447
  132   HD11  LEU  21          HD11      LEU  21   3.117   7.932   1.112
  133   HD12  LEU  21          HD12      LEU  21   2.618   6.495   2.004
  134   HD13  LEU  21          HD13      LEU  21   4.068   6.452   1.003
  135   HD21  LEU  21          HD21      LEU  21   3.142   9.283   3.167
  136   HD22  LEU  21          HD22      LEU  21   4.085   8.769   4.563
  137   HD23  LEU  21          HD23      LEU  21   2.623   7.888   4.110
  138    H    GLY  22           HN       GLY  22   7.370   4.691   4.479
  139    HA2  GLY  22           HA2      GLY  22   8.062   3.014   6.077
  140    HA3  GLY  22           HA1      GLY  22   6.491   3.162   6.846
  141    H    HIS  23           HN       HIS  23   6.397   0.843   6.706
  142    HA   HIS  23           HA       HIS  23   6.114  -0.309   4.054
  143    HB2  HIS  23           HB2      HIS  23   6.055  -1.560   6.809
  144    HB3  HIS  23           HB1      HIS  23   5.726  -2.457   5.337
  145    HD1  HIS  23           HD1      HIS  23   8.407  -1.849   7.610
  146    HD2  HIS  23           HD2      HIS  23   8.069  -2.167   3.481
  147    HE1  HIS  23           HE1      HIS  23  10.705  -2.413   6.770
  148    H    GLN  24           HN       GLN  24   4.250  -0.543   3.092
  149    HA   GLN  24           HA       GLN  24   1.810  -0.293   4.682
  150    HB2  GLN  24           HB2      GLN  24   2.321   0.133   1.751
  151    HB3  GLN  24           HB1      GLN  24   0.730   0.216   2.473
  152    HG2  GLN  24           HG2      GLN  24   3.065   2.034   3.032
  153    HG3  GLN  24           HG1      GLN  24   1.590   2.381   2.120
  154   HE21  GLN  24          1HE2      GLN  24  -0.279   2.751   3.198
  155   HE22  GLN  24          2HE2      GLN  24  -0.374   3.047   4.891
  156    H    CYS  25           HN       CYS  25   1.195  -2.206   5.208
  157    HA   CYS  25           HA       CYS  25   1.405  -4.401   3.279
  158    HB2  CYS  25           HB2      CYS  25   1.095  -4.465   6.275
  159    HB3  CYS  25           HB1      CYS  25   0.946  -5.884   5.249
  160    H    PHE  26           HN       PHE  26  -0.286  -4.928   2.214
  161    HA   PHE  26           HA       PHE  26  -2.911  -4.369   3.374
  162    HB2  PHE  26           HB2      PHE  26  -2.216  -4.934   0.474
  163    HB3  PHE  26           HB1      PHE  26  -3.760  -4.396   1.108
  164    HD1  PHE  26           HD1      PHE  26  -0.422  -3.378   0.114
  165    HD2  PHE  26           HD2      PHE  26  -4.060  -2.100   1.922
  166    HE1  PHE  26           HE1      PHE  26   0.250  -1.037  -0.198
  167    HE2  PHE  26           HE2      PHE  26  -3.389   0.245   1.605
  168    HZ   PHE  26           HZ       PHE  26  -1.230   0.771   0.543
  169    HA   PRO  27           HA       PRO  27  -2.710  -8.876   3.766
  170    HB2  PRO  27           HB2      PRO  27  -4.993  -9.127   5.243
  171    HB3  PRO  27           HB1      PRO  27  -3.441  -8.675   5.949
  172    HG2  PRO  27           HG2      PRO  27  -5.764  -6.953   5.204
  173    HG3  PRO  27           HG1      PRO  27  -4.698  -6.845   6.614
  174    HD2  PRO  27           HD2      PRO  27  -4.474  -5.234   4.436
  175    HD3  PRO  27           HD1      PRO  27  -3.089  -5.674   5.456
  176    H    ASP  28           HN       ASP  28  -5.270  -6.879   2.627
  177    HA   ASP  28           HA       ASP  28  -6.157  -8.910   0.775
  178    HB2  ASP  28           HB2      ASP  28  -7.712  -8.947   2.742
  179    HB3  ASP  28           HB1      ASP  28  -7.994  -7.229   2.516
  Start of MODEL   12
    1    H1   GLY   1           HN       GLY   1  -6.717  -6.972   0.362
    2    HA2  GLY   1           HA2      GLY   1  -5.722  -4.494  -0.670
    3    HA3  GLY   1           HA1      GLY   1  -5.954  -5.987  -1.568
    4    H    PHE   2           HN       PHE   2  -6.549  -3.702  -2.799
    5    HA   PHE   2           HA       PHE   2  -9.250  -3.911  -3.468
    6    HB2  PHE   2           HB2      PHE   2  -9.991  -1.632  -2.739
    7    HB3  PHE   2           HB1      PHE   2  -9.698  -2.714  -1.389
    8    HD1  PHE   2           HD1      PHE   2  -8.938   0.442  -2.873
    9    HD2  PHE   2           HD2      PHE   2  -7.491  -2.461  -0.125
   10    HE1  PHE   2           HE1      PHE   2  -7.457   2.122  -1.858
   11    HE2  PHE   2           HE2      PHE   2  -6.010  -0.783   0.878
   12    HZ   PHE   2           HZ       PHE   2  -5.999   1.516   0.008
   13    H    CYS   3           HN       CYS   3  -9.763  -1.776  -4.883
   14    HA   CYS   3           HA       CYS   3  -7.357  -1.386  -6.503
   15    HB2  CYS   3           HB2      CYS   3 -10.269  -1.300  -7.327
   16    HB3  CYS   3           HB1      CYS   3  -8.900  -1.007  -8.393
   17    H    TRP   4           HN       TRP   4  -6.514   0.573  -6.576
   18    HA   TRP   4           HA       TRP   4  -8.155   2.923  -6.369
   19    HB2  TRP   4           HB2      TRP   4  -7.168   3.803  -4.368
   20    HB3  TRP   4           HB1      TRP   4  -7.690   2.157  -4.036
   21    HD1  TRP   4           HD1      TRP   4  -4.928   0.735  -5.228
   22    HE1  TRP   4           HE1      TRP   4  -2.798   0.878  -3.784
   23    HE3  TRP   4          3HE       TRP   4  -6.249   4.643  -2.211
   24    HZ2  TRP   4           HZ2      TRP   4  -1.822   2.441  -1.657
   25    HZ3  TRP   4           HZ3      TRP   4  -4.662   5.382  -0.487
   26    HH2  TRP   4          2HH       TRP   4  -2.505   4.296  -0.220
   27    H    HIS   5           HN       HIS   5  -6.853   4.816  -6.929
   28    HA   HIS   5           HA       HIS   5  -5.269   5.921  -8.163
   29    HB2  HIS   5           HB2      HIS   5  -3.510   3.736  -7.037
   30    HB3  HIS   5           HB1      HIS   5  -2.873   5.034  -8.020
   31    HD1  HIS   5           HD1      HIS   5  -1.534   6.351  -6.366
   32    HD2  HIS   5           HD2      HIS   5  -5.261   5.314  -4.881
   33    HE1  HIS   5           HE1      HIS   5  -1.701   7.411  -4.081
   34    H    HIS   6           HN       HIS   6  -6.819   3.637  -9.314
   35    HA   HIS   6           HA       HIS   6  -7.105   2.528 -11.240
   36    HB2  HIS   6           HB2      HIS   6  -6.146   4.569 -12.341
   37    HB3  HIS   6           HB1      HIS   6  -4.544   3.877 -12.193
   38    HD1  HIS   6           HD1      HIS   6  -3.749   2.820 -14.326
   39    HD2  HIS   6           HD2      HIS   6  -7.891   2.785 -13.982
   40    HE1  HIS   6           HE1      HIS   6  -4.613   1.820 -16.471
   41    H    SER   7           HN       SER   7  -5.139   1.632  -8.962
   42    HA   SER   7           HA       SER   7  -4.068  -0.653 -10.452
   43    HB2  SER   7           HB2      SER   7  -2.760   0.813  -8.148
   44    HB3  SER   7           HB1      SER   7  -2.122  -0.624  -8.949
   45    HG   SER   7           HG       SER   7  -2.190   0.674 -10.926
   46    H    CYS   8           HN       CYS   8  -4.483  -2.621  -9.559
   47    HA   CYS   8           HA       CYS   8  -6.025  -2.610  -7.095
   48    HB2  CYS   8           HB2      CYS   8  -5.712  -4.755  -9.197
   49    HB3  CYS   8           HB1      CYS   8  -6.690  -4.908  -7.742
   50    H    VAL   9           HN       VAL   9  -5.046  -2.984  -5.313
   51    HA   VAL   9           HA       VAL   9  -2.561  -4.502  -5.328
   52    HB   VAL   9           HB       VAL   9  -2.535  -2.208  -4.331
   53   HG11  VAL   9          HG11      VAL   9  -4.757  -2.015  -3.473
   54   HG12  VAL   9          HG12      VAL   9  -3.592  -1.734  -2.178
   55   HG13  VAL   9          3HG1      VAL   9  -4.444  -3.275  -2.281
   56   HG21  VAL   9          HG21      VAL   9  -2.037  -4.404  -2.333
   57   HG22  VAL   9          HG22      VAL   9  -1.418  -2.758  -2.209
   58   HG23  VAL   9          HG23      VAL   9  -0.900  -3.796  -3.537
   59    HA   PRO  10           HA       PRO  10  -5.043  -7.727  -3.445
   60    HB2  PRO  10           HB2      PRO  10  -3.186  -9.624  -3.231
   61    HB3  PRO  10           HB1      PRO  10  -3.771  -9.093  -4.814
   62    HG2  PRO  10           HG2      PRO  10  -1.234  -8.377  -3.402
   63    HG3  PRO  10           HG1      PRO  10  -1.502  -8.733  -5.118
   64    HD2  PRO  10           HD2      PRO  10  -1.321  -6.184  -4.036
   65    HD3  PRO  10           HD1      PRO  10  -2.089  -6.583  -5.581
   66    H    SER  11           HN       SER  11  -4.752  -9.321  -1.532
   67    HA   SER  11           HA       SER  11  -3.892  -7.798   0.788
   68    HB2  SER  11           HB2      SER  11  -5.352 -10.447   0.615
   69    HB3  SER  11           HB1      SER  11  -5.195  -9.414   2.037
   70    HG   SER  11           HG       SER  11  -6.866  -9.248  -0.117
   71    H    GLY  12           HN       GLY  12  -2.065  -8.358   1.973
   72    HA2  GLY  12           HA2      GLY  12  -0.813 -10.181   2.966
   73    HA3  GLY  12           HA1      GLY  12  -0.894 -10.995   1.405
   74    H    THR  13           HN       THR  13  -0.591  -8.016   0.486
   75    HA   THR  13           HA       THR  13   2.271  -8.272   0.337
   76    HB   THR  13           HB       THR  13   1.148  -8.050  -1.820
   77    HG1  THR  13           HG1      THR  13   3.166  -7.086  -1.704
   78   HG21  THR  13          HG21      THR  13  -0.002  -5.970  -2.458
   79   HG22  THR  13          HG22      THR  13   0.128  -5.406  -0.793
   80   HG23  THR  13          HG23      THR  13  -0.844  -6.829  -1.170
   81    H    CYS  14           HN       CYS  14   3.417  -7.215   1.639
   82    HA   CYS  14           HA       CYS  14   2.533  -4.581   2.587
   83    HB2  CYS  14           HB2      CYS  14   2.645  -6.283   4.414
   84    HB3  CYS  14           HB1      CYS  14   4.352  -6.512   4.053
   85    H    ALA  15           HN       ALA  15   3.663  -2.979   1.772
   86    HA   ALA  15           HA       ALA  15   6.354  -3.603   0.786
   87    HB1  ALA  15           HB1      ALA  15   4.778  -3.285  -1.055
   88    HB2  ALA  15           HB2      ALA  15   5.978  -1.992  -1.015
   89    HB3  ALA  15           HB3      ALA  15   4.348  -1.699  -0.417
   90    H    ASP  16           HN       ASP  16   7.763  -1.721   0.633
   91    HA   ASP  16           HA       ASP  16   7.412  -0.063   2.989
   92    HB2  ASP  16           HB2      ASP  16   9.837   0.379   2.841
   93    HB3  ASP  16           HB1      ASP  16   9.493  -1.341   2.935
   94    H    PHE  17           HN       PHE  17   6.872   1.899   2.829
   95    HA   PHE  17           HA       PHE  17   7.368   3.416   0.364
   96    HB2  PHE  17           HB2      PHE  17   5.026   3.660   2.295
   97    HB3  PHE  17           HB1      PHE  17   5.303   4.710   0.917
   98    HD1  PHE  17           HD1      PHE  17   4.356   1.317   1.971
   99    HD2  PHE  17           HD2      PHE  17   4.623   4.040  -1.277
  100    HE1  PHE  17           HE1      PHE  17   2.956  -0.177   0.610
  101    HE2  PHE  17           HE2      PHE  17   3.238   2.550  -2.649
  102    HZ   PHE  17           HZ       PHE  17   2.397   0.436  -1.706
  103    HA   PRO  18           HA       PRO  18  10.106   4.779   3.610
  104    HB2  PRO  18           HB2      PRO  18  11.134   6.970   2.192
  105    HB3  PRO  18           HB1      PRO  18  11.794   5.335   2.243
  106    HG2  PRO  18           HG2      PRO  18  10.084   6.622   0.183
  107    HG3  PRO  18           HG1      PRO  18  11.339   5.392  -0.006
  108    HD2  PRO  18           HD2      PRO  18   8.715   4.825  -0.159
  109    HD3  PRO  18           HD1      PRO  18   9.886   3.657   0.480
  110    H    TRP  19           HN       TRP  19   9.240   7.851   2.072
  111    HA   TRP  19           HA       TRP  19   8.761   8.732   4.777
  112    HB2  TRP  19           HB2      TRP  19  10.518   9.940   3.671
  113    HB3  TRP  19           HB1      TRP  19   9.460  10.335   2.320
  114    HD1  TRP  19           HD1      TRP  19   9.631  11.052   6.140
  115    HE1  TRP  19           HE1      TRP  19   8.752  13.421   6.544
  116    HE3  TRP  19          3HE       TRP  19   8.303  12.234   1.349
  117    HZ2  TRP  19           HZ2      TRP  19   7.630  15.533   5.027
  118    HZ3  TRP  19           HZ3      TRP  19   7.332  14.447   0.911
  119    HH2  TRP  19          2HH       TRP  19   7.004  16.062   2.715
  120    HA   PRO  20           HA       PRO  20   7.685   9.157   6.158
  121    HB2  PRO  20           HB2      PRO  20   5.595  10.285   7.494
  122    HB3  PRO  20           HB1      PRO  20   6.845  11.245   6.701
  123    HG2  PRO  20           HG2      PRO  20   4.075  11.118   6.042
  124    HG3  PRO  20           HG1      PRO  20   5.337  12.012   5.186
  125    HD2  PRO  20           HD2      PRO  20   4.216   9.299   4.603
  126    HD3  PRO  20           HD1      PRO  20   4.828  10.533   3.474
  127    H    LEU  21           HN       LEU  21   6.375   6.959   4.862
  128    HA   LEU  21           HA       LEU  21   4.190   6.205   6.665
  129    HB2  LEU  21           HB2      LEU  21   4.994   5.030   4.017
  130    HB3  LEU  21           HB1      LEU  21   3.631   4.499   4.978
  131    HG   LEU  21           HG       LEU  21   3.926   7.220   3.699
  132   HD11  LEU  21          HD11      LEU  21   3.555   5.425   2.084
  133   HD12  LEU  21          HD12      LEU  21   2.166   6.495   2.210
  134   HD13  LEU  21          HD13      LEU  21   2.128   4.911   2.986
  135   HD21  LEU  21          HD21      LEU  21   1.578   7.529   4.362
  136   HD22  LEU  21          HD22      LEU  21   2.636   7.352   5.758
  137   HD23  LEU  21          HD23      LEU  21   1.634   5.997   5.232
  138    H    GLY  22           HN       GLY  22   6.789   4.454   4.993
  139    HA2  GLY  22           HA2      GLY  22   8.394   3.163   6.133
  140    HA3  GLY  22           HA1      GLY  22   7.259   2.969   7.467
  141    H    HIS  23           HN       HIS  23   6.598   0.941   7.559
  142    HA   HIS  23           HA       HIS  23   6.376  -0.580   5.082
  143    HB2  HIS  23           HB2      HIS  23   6.234  -1.503   7.963
  144    HB3  HIS  23           HB1      HIS  23   6.121  -2.560   6.561
  145    HD1  HIS  23           HD1      HIS  23   8.539  -1.504   8.973
  146    HD2  HIS  23           HD2      HIS  23   8.583  -2.163   4.867
  147    HE1  HIS  23           HE1      HIS  23  10.942  -1.819   8.356
  148    H    GLN  24           HN       GLN  24   4.518  -0.385   4.100
  149    HA   GLN  24           HA       GLN  24   2.092  -0.186   5.715
  150    HB2  GLN  24           HB2      GLN  24   2.584   0.617   2.850
  151    HB3  GLN  24           HB1      GLN  24   1.009   0.652   3.618
  152    HG2  GLN  24           HG2      GLN  24   3.422   2.236   4.468
  153    HG3  GLN  24           HG1      GLN  24   2.031   2.851   3.577
  154   HE21  GLN  24          1HE2      GLN  24   0.072   1.339   5.127
  155   HE22  GLN  24          2HE2      GLN  24  -0.017   2.074   6.668
  156    H    CYS  25           HN       CYS  25   1.158  -1.976   5.986
  157    HA   CYS  25           HA       CYS  25   1.467  -4.093   4.024
  158    HB2  CYS  25           HB2      CYS  25   0.358  -4.187   6.825
  159    HB3  CYS  25           HB1      CYS  25   0.674  -5.568   5.780
  160    H    PHE  26           HN       PHE  26  -0.278  -4.968   2.961
  161    HA   PHE  26           HA       PHE  26  -2.847  -3.699   3.520
  162    HB2  PHE  26           HB2      PHE  26  -1.818  -4.878   0.918
  163    HB3  PHE  26           HB1      PHE  26  -3.445  -4.266   1.168
  164    HD1  PHE  26           HD1      PHE  26   0.076  -3.357   0.733
  165    HD2  PHE  26           HD2      PHE  26  -3.878  -1.887   1.296
  166    HE1  PHE  26           HE1      PHE  26   0.822  -1.102   0.068
  167    HE2  PHE  26           HE2      PHE  26  -3.141   0.365   0.638
  168    HZ   PHE  26           HZ       PHE  26  -0.788   0.761   0.024
  169    HA   PRO  27           HA       PRO  27  -3.632  -8.055   4.671
  170    HB2  PRO  27           HB2      PRO  27  -5.636  -6.961   6.472
  171    HB3  PRO  27           HB1      PRO  27  -4.164  -7.838   6.886
  172    HG2  PRO  27           HG2      PRO  27  -4.537  -5.188   7.431
  173    HG3  PRO  27           HG1      PRO  27  -2.947  -5.918   7.166
  174    HD2  PRO  27           HD2      PRO  27  -4.639  -4.323   5.286
  175    HD3  PRO  27           HD1      PRO  27  -2.876  -4.286   5.534
  176    H    ASP  28           HN       ASP  28  -5.429  -5.449   3.548
  177    HA   ASP  28           HA       ASP  28  -7.377  -7.212   2.318
  178    HB2  ASP  28           HB2      ASP  28  -8.484  -6.286   4.334
  179    HB3  ASP  28           HB1      ASP  28  -8.142  -4.658   3.756
  Start of MODEL   13
    1    H1   GLY   1           HN       GLY   1  -7.619  -4.961   1.813
    2    HA2  GLY   1           HA2      GLY   1  -6.119  -2.674   1.007
    3    HA3  GLY   1           HA1      GLY   1  -6.765  -3.914  -0.053
    4    H    PHE   2           HN       PHE   2  -6.964  -1.692  -1.220
    5    HA   PHE   2           HA       PHE   2  -9.699  -0.843  -1.050
    6    HB2  PHE   2           HB2      PHE   2  -9.101   1.575  -0.830
    7    HB3  PHE   2           HB1      PHE   2  -8.755   0.641   0.616
    8    HD1  PHE   2           HD1      PHE   2  -7.348   2.664  -2.066
    9    HD2  PHE   2           HD2      PHE   2  -6.407   0.139   1.233
   10    HE1  PHE   2           HE1      PHE   2  -5.044   3.519  -2.069
   11    HE2  PHE   2           HE2      PHE   2  -4.099   0.992   1.231
   12    HZ   PHE   2           HZ       PHE   2  -3.414   2.679  -0.418
   13    H    CYS   3           HN       CYS   3 -10.318   0.306  -2.951
   14    HA   CYS   3           HA       CYS   3  -8.219   0.514  -4.943
   15    HB2  CYS   3           HB2      CYS   3  -9.409  -1.636  -5.360
   16    HB3  CYS   3           HB1      CYS   3 -10.919  -0.743  -5.504
   17    H    TRP   4           HN       TRP   4  -8.152   2.464  -5.667
   18    HA   TRP   4           HA       TRP   4 -10.575   3.901  -6.277
   19    HB2  TRP   4           HB2      TRP   4 -10.126   5.808  -4.939
   20    HB3  TRP   4           HB1      TRP   4  -9.805   4.447  -3.872
   21    HD1  TRP   4           HD1      TRP   4  -6.770   3.854  -4.598
   22    HE1  TRP   4           HE1      TRP   4  -4.933   5.558  -3.997
   23    HE3  TRP   4          3HE       TRP   4  -9.680   8.017  -4.123
   24    HZ2  TRP   4           HZ2      TRP   4  -4.761   8.328  -3.413
   25    HZ3  TRP   4           HZ3      TRP   4  -8.609  10.149  -3.534
   26    HH2  TRP   4          2HH       TRP   4  -6.200  10.293  -3.181
   27    H    HIS   5           HN       HIS   5 -10.075   5.607  -7.837
   28    HA   HIS   5           HA       HIS   5  -9.008   6.427  -9.679
   29    HB2  HIS   5           HB2      HIS   5  -6.681   5.914  -7.852
   30    HB3  HIS   5           HB1      HIS   5  -6.377   6.472  -9.479
   31    HD1  HIS   5           HD1      HIS   5  -5.650   8.847  -9.099
   32    HD2  HIS   5           HD2      HIS   5  -9.025   7.874  -6.899
   33    HE1  HIS   5           HE1      HIS   5  -6.387  10.986  -7.965
   34    H    HIS   6           HN       HIS   6  -9.572   3.555  -9.321
   35    HA   HIS   6           HA       HIS   6  -9.431   1.578 -10.329
   36    HB2  HIS   6           HB2      HIS   6  -9.515   2.975 -12.442
   37    HB3  HIS   6           HB1      HIS   6  -7.758   2.938 -12.484
   38    HD1  HIS   6           HD1      HIS   6  -7.160   1.389 -14.385
   39    HD2  HIS   6           HD2      HIS   6 -10.303  -0.064 -12.096
   40    HE1  HIS   6           HE1      HIS   6  -7.726  -0.867 -15.343
   41    H    SER   7           HN       SER   7  -7.302   2.657  -8.487
   42    HA   SER   7           HA       SER   7  -5.171   0.777  -9.136
   43    HB2  SER   7           HB2      SER   7  -4.600   3.217  -8.646
   44    HB3  SER   7           HB1      SER   7  -5.213   2.958  -7.015
   45    HG   SER   7           HG       SER   7  -3.123   1.558  -8.274
   46    H    CYS   8           HN       CYS   8  -5.846  -1.134  -8.383
   47    HA   CYS   8           HA       CYS   8  -7.323  -1.205  -5.884
   48    HB2  CYS   8           HB2      CYS   8  -6.928  -3.395  -7.929
   49    HB3  CYS   8           HB1      CYS   8  -7.897  -3.524  -6.473
   50    H    VAL   9           HN       VAL   9  -6.157  -1.336  -4.187
   51    HA   VAL   9           HA       VAL   9  -3.636  -2.757  -4.129
   52    HB   VAL   9           HB       VAL   9  -5.086  -1.139  -2.001
   53   HG11  VAL   9          HG11      VAL   9  -2.230  -2.081  -2.106
   54   HG12  VAL   9          HG12      VAL   9  -3.494  -2.701  -1.044
   55   HG13  VAL   9          3HG1      VAL   9  -2.928  -1.040  -0.864
   56   HG21  VAL   9          HG21      VAL   9  -3.519   0.654  -2.522
   57   HG22  VAL   9          HG22      VAL   9  -4.517   0.241  -3.919
   58   HG23  VAL   9          HG23      VAL   9  -2.844  -0.312  -3.834
   59    HA   PRO  10           HA       PRO  10  -6.000  -6.258  -2.657
   60    HB2  PRO  10           HB2      PRO  10  -3.939  -7.953  -2.258
   61    HB3  PRO  10           HB1      PRO  10  -4.546  -7.562  -3.870
   62    HG2  PRO  10           HG2      PRO  10  -2.140  -6.534  -2.439
   63    HG3  PRO  10           HG1      PRO  10  -2.342  -6.935  -4.151
   64    HD2  PRO  10           HD2      PRO  10  -2.409  -4.382  -3.152
   65    HD3  PRO  10           HD1      PRO  10  -3.210  -4.885  -4.652
   66    H    SER  11           HN       SER  11  -6.360  -7.404  -0.748
   67    HA   SER  11           HA       SER  11  -5.500  -6.086   1.651
   68    HB2  SER  11           HB2      SER  11  -7.250  -8.531   1.245
   69    HB3  SER  11           HB1      SER  11  -7.057  -7.641   2.759
   70    HG   SER  11           HG       SER  11  -7.995  -6.538   0.330
   71    H    GLY  12           HN       GLY  12  -3.772  -6.686   2.851
   72    HA2  GLY  12           HA2      GLY  12  -2.546  -8.403   3.943
   73    HA3  GLY  12           HA1      GLY  12  -2.814  -9.434   2.540
   74    H    THR  13           HN       THR  13  -2.214  -6.323   1.582
   75    HA   THR  13           HA       THR  13   0.366  -7.052   0.644
   76    HB   THR  13           HB       THR  13  -1.025  -5.694  -0.828
   77    HG1  THR  13           HG1      THR  13   1.034  -5.240  -1.248
   78   HG21  THR  13          HG21      THR  13  -0.904  -3.606   1.330
   79   HG22  THR  13          HG22      THR  13  -2.350  -4.450   0.762
   80   HG23  THR  13          HG23      THR  13  -1.509  -3.311  -0.298
   81    H    CYS  14           HN       CYS  14   1.701  -7.334   2.251
   82    HA   CYS  14           HA       CYS  14   2.445  -4.935   3.731
   83    HB2  CYS  14           HB2      CYS  14   2.551  -7.778   4.779
   84    HB3  CYS  14           HB1      CYS  14   3.036  -6.332   5.665
   85    H    ALA  15           HN       ALA  15   4.062  -4.257   2.611
   86    HA   ALA  15           HA       ALA  15   6.364  -5.976   2.254
   87    HB1  ALA  15           HB1      ALA  15   5.050  -4.504  -0.033
   88    HB2  ALA  15           HB2      ALA  15   5.105  -6.255   0.175
   89    HB3  ALA  15           HB3      ALA  15   6.594  -5.351  -0.109
   90    H    ASP  16           HN       ASP  16   8.287  -4.730   1.846
   91    HA   ASP  16           HA       ASP  16   8.020  -2.044   2.916
   92    HB2  ASP  16           HB2      ASP  16  10.408  -2.132   3.369
   93    HB3  ASP  16           HB1      ASP  16   9.614  -3.540   4.058
   94    H    PHE  17           HN       PHE  17   8.267  -0.380   1.866
   95    HA   PHE  17           HA       PHE  17   9.231  -0.454  -0.902
   96    HB2  PHE  17           HB2      PHE  17   7.213   1.336   0.499
   97    HB3  PHE  17           HB1      PHE  17   7.773   1.605  -1.139
   98    HD1  PHE  17           HD1      PHE  17   6.007  -0.892   0.996
   99    HD2  PHE  17           HD2      PHE  17   6.612   0.645  -2.917
  100    HE1  PHE  17           HE1      PHE  17   4.148  -2.265   0.177
  101    HE2  PHE  17           HE2      PHE  17   4.753  -0.733  -3.746
  102    HZ   PHE  17           HZ       PHE  17   3.517  -2.191  -2.190
  103    HA   PRO  18           HA       PRO  18  12.495   2.382   0.261
  104    HB2  PRO  18           HB2      PRO  18  12.035   4.511  -1.482
  105    HB3  PRO  18           HB1      PRO  18  12.979   3.067  -1.862
  106    HG2  PRO  18           HG2      PRO  18  10.124   3.693  -2.491
  107    HG3  PRO  18           HG1      PRO  18  11.342   2.891  -3.499
  108    HD2  PRO  18           HD2      PRO  18   9.464   1.470  -2.281
  109    HD3  PRO  18           HD1      PRO  18  11.132   0.872  -2.351
  110    H    TRP  19           HN       TRP  19  12.926   4.335   1.336
  111    HA   TRP  19           HA       TRP  19  10.944   5.401   3.095
  112    HB2  TRP  19           HB2      TRP  19  13.493   5.295   3.387
  113    HB3  TRP  19           HB1      TRP  19  13.572   6.681   2.309
  114    HD1  TRP  19           HD1      TRP  19  12.559   8.919   3.224
  115    HE1  TRP  19           HE1      TRP  19  12.234   9.837   5.649
  116    HE3  TRP  19          3HE       TRP  19  12.957   4.576   5.697
  117    HZ2  TRP  19           HZ2      TRP  19  12.167   8.763   8.266
  118    HZ3  TRP  19           HZ3      TRP  19  12.756   4.549   8.163
  119    HH2  TRP  19          2HH       TRP  19  12.369   6.599   9.406
  120    HA   PRO  20           HA       PRO  20  10.413   7.236   4.151
  121    HB2  PRO  20           HB2      PRO  20   8.343   8.815   4.570
  122    HB3  PRO  20           HB1      PRO  20   9.910   9.477   4.088
  123    HG2  PRO  20           HG2      PRO  20   7.452   9.048   2.456
  124    HG3  PRO  20           HG1      PRO  20   8.612  10.385   2.406
  125    HD2  PRO  20           HD2      PRO  20   8.575   8.177   0.675
  126    HD3  PRO  20           HD1      PRO  20   9.927   9.300   0.894
  127    H    LEU  21           HN       LEU  21   8.823   5.446   2.050
  128    HA   LEU  21           HA       LEU  21   6.366   5.057   3.472
  129    HB2  LEU  21           HB2      LEU  21   7.642   3.461   1.257
  130    HB3  LEU  21           HB1      LEU  21   6.137   2.997   2.011
  131    HG   LEU  21           HG       LEU  21   5.196   5.203   1.243
  132   HD11  LEU  21          HD11      LEU  21   7.269   6.404   0.847
  133   HD12  LEU  21          HD12      LEU  21   6.282   6.346  -0.611
  134   HD13  LEU  21          HD13      LEU  21   7.685   5.287  -0.453
  135   HD21  LEU  21          HD21      LEU  21   6.132   3.246  -0.838
  136   HD22  LEU  21          HD22      LEU  21   4.824   4.409  -1.043
  137   HD23  LEU  21          HD23      LEU  21   4.678   3.119   0.147
  138    H    GLY  22           HN       GLY  22   8.891   2.657   2.768
  139    HA2  GLY  22           HA2      GLY  22   9.938   1.261   4.279
  140    HA3  GLY  22           HA1      GLY  22   8.909   1.908   5.561
  141    H    HIS  23           HN       HIS  23   8.213  -0.038   6.327
  142    HA   HIS  23           HA       HIS  23   7.095  -1.986   4.541
  143    HB2  HIS  23           HB2      HIS  23   8.240  -2.641   6.656
  144    HB3  HIS  23           HB1      HIS  23   6.941  -1.872   7.563
  145    HD1  HIS  23           HD1      HIS  23   5.025  -3.414   8.179
  146    HD2  HIS  23           HD2      HIS  23   7.252  -4.817   4.960
  147    HE1  HIS  23           HE1      HIS  23   4.080  -5.664   7.600
  148    H    GLN  24           HN       GLN  24   5.336  -1.494   3.549
  149    HA   GLN  24           HA       GLN  24   3.184  -0.048   4.902
  150    HB2  GLN  24           HB2      GLN  24   3.404  -1.035   2.045
  151    HB3  GLN  24           HB1      GLN  24   2.150   0.020   2.670
  152    HG2  GLN  24           HG2      GLN  24   5.076   0.696   2.435
  153    HG3  GLN  24           HG1      GLN  24   3.789   1.233   1.358
  154   HE21  GLN  24          1HE2      GLN  24   2.376   2.813   2.056
  155   HE22  GLN  24          2HE2      GLN  24   2.704   3.795   3.421
  156    H    CYS  25           HN       CYS  25   1.494  -1.195   5.697
  157    HA   CYS  25           HA       CYS  25   1.103  -3.924   4.737
  158    HB2  CYS  25           HB2      CYS  25   2.591  -4.014   6.733
  159    HB3  CYS  25           HB1      CYS  25   1.350  -3.186   7.657
  160    H    PHE  26           HN       PHE  26  -0.822  -3.801   3.944
  161    HA   PHE  26           HA       PHE  26  -2.891  -2.397   5.486
  162    HB2  PHE  26           HB2      PHE  26  -2.786  -2.904   2.502
  163    HB3  PHE  26           HB1      PHE  26  -4.112  -2.123   3.351
  164    HD1  PHE  26           HD1      PHE  26  -0.870  -1.685   1.834
  165    HD2  PHE  26           HD2      PHE  26  -3.694   0.061   4.482
  166    HE1  PHE  26           HE1      PHE  26   0.236   0.483   1.570
  167    HE2  PHE  26           HE2      PHE  26  -2.588   2.245   4.223
  168    HZ   PHE  26           HZ       PHE  26  -0.616   2.448   2.759
  169    HA   PRO  27           HA       PRO  27  -4.336  -6.680   6.031
  170    HB2  PRO  27           HB2      PRO  27  -6.305  -5.217   7.709
  171    HB3  PRO  27           HB1      PRO  27  -5.283  -6.593   8.135
  172    HG2  PRO  27           HG2      PRO  27  -4.740  -4.168   9.084
  173    HG3  PRO  27           HG1      PRO  27  -3.437  -5.257   8.575
  174    HD2  PRO  27           HD2      PRO  27  -4.611  -2.911   7.135
  175    HD3  PRO  27           HD1      PRO  27  -2.912  -3.410   7.294
  176    H    ASP  28           HN       ASP  28  -6.298  -3.787   5.493
  177    HA   ASP  28           HA       ASP  28  -8.073  -5.384   3.791
  178    HB2  ASP  28           HB2      ASP  28  -9.294  -4.578   5.789
  179    HB3  ASP  28           HB1      ASP  28  -8.803  -2.930   5.428
  Start of MODEL   14
    1    H1   GLY   1           HN       GLY   1  -6.316  -3.557   2.338
    2    HA2  GLY   1           HA2      GLY   1  -5.209  -2.922   0.363
    3    HA3  GLY   1           HA1      GLY   1  -6.395  -3.847  -0.559
    4    H    PHE   2           HN       PHE   2  -6.168  -1.610  -1.697
    5    HA   PHE   2           HA       PHE   2  -8.618  -0.250  -1.263
    6    HB2  PHE   2           HB2      PHE   2  -7.795   1.961  -0.694
    7    HB3  PHE   2           HB1      PHE   2  -7.178   0.849   0.517
    8    HD1  PHE   2           HD1      PHE   2  -6.362   3.250  -2.052
    9    HD2  PHE   2           HD2      PHE   2  -4.751   0.172   0.410
   10    HE1  PHE   2           HE1      PHE   2  -4.099   4.075  -2.512
   11    HE2  PHE   2           HE2      PHE   2  -2.489   0.998  -0.048
   12    HZ   PHE   2           HZ       PHE   2  -2.160   2.951  -1.516
   13    H    CYS   3           HN       CYS   3  -8.640   1.694  -2.874
   14    HA   CYS   3           HA       CYS   3  -6.641   1.420  -4.922
   15    HB2  CYS   3           HB2      CYS   3  -8.509  -0.116  -5.589
   16    HB3  CYS   3           HB1      CYS   3  -9.596   1.271  -5.587
   17    H    TRP   4           HN       TRP   4  -6.144   3.296  -5.829
   18    HA   TRP   4           HA       TRP   4  -7.840   5.630  -5.278
   19    HB2  TRP   4           HB2      TRP   4  -6.080   5.674  -3.627
   20    HB3  TRP   4           HB1      TRP   4  -4.863   5.410  -4.868
   21    HD1  TRP   4           HD1      TRP   4  -4.097   7.384  -6.248
   22    HE1  TRP   4           HE1      TRP   4  -4.443   9.987  -6.119
   23    HE3  TRP   4          3HE       TRP   4  -7.943   7.502  -2.955
   24    HZ2  TRP   4           HZ2      TRP   4  -6.128  11.767  -4.780
   25    HZ3  TRP   4           HZ3      TRP   4  -8.892   9.698  -2.316
   26    HH2  TRP   4          2HH       TRP   4  -7.999  11.759  -3.210
   27    H    HIS   5           HN       HIS   5  -8.551   6.119  -7.132
   28    HA   HIS   5           HA       HIS   5  -8.711   6.725  -9.293
   29    HB2  HIS   5           HB2      HIS   5  -5.981   7.922  -8.716
   30    HB3  HIS   5           HB1      HIS   5  -6.958   8.317 -10.120
   31    HD1  HIS   5           HD1      HIS   5  -6.450  10.775  -8.754
   32    HD2  HIS   5           HD2      HIS   5  -9.359   8.226  -7.245
   33    HE1  HIS   5           HE1      HIS   5  -7.888  12.156  -7.196
   34    H    HIS   6           HN       HIS   6  -8.436   4.328  -9.456
   35    HA   HIS   6           HA       HIS   6  -8.024   2.584 -10.759
   36    HB2  HIS   6           HB2      HIS   6  -6.306   4.415 -12.456
   37    HB3  HIS   6           HB1      HIS   6  -6.773   2.781 -12.890
   38    HD1  HIS   6           HD1      HIS   6  -7.616   6.010 -13.831
   39    HD2  HIS   6           HD2      HIS   6  -9.904   2.749 -12.661
   40    HE1  HIS   6           HE1      HIS   6  -9.913   6.420 -14.761
   41    H    SER   7           HN       SER   7  -5.671   3.967  -8.882
   42    HA   SER   7           HA       SER   7  -3.771   1.858  -9.470
   43    HB2  SER   7           HB2      SER   7  -2.914   4.189  -9.010
   44    HB3  SER   7           HB1      SER   7  -3.587   4.068  -7.389
   45    HG   SER   7           HG       SER   7  -1.977   2.851  -6.800
   46    H    CYS   8           HN       CYS   8  -4.714   0.026  -8.760
   47    HA   CYS   8           HA       CYS   8  -5.937   0.082  -6.126
   48    HB2  CYS   8           HB2      CYS   8  -6.127  -2.053  -8.249
   49    HB3  CYS   8           HB1      CYS   8  -7.002  -1.995  -6.728
   50    H    VAL   9           HN       VAL   9  -5.105  -0.916  -4.475
   51    HA   VAL   9           HA       VAL   9  -2.780  -2.658  -4.857
   52    HB   VAL   9           HB       VAL   9  -3.600  -1.062  -2.398
   53   HG11  VAL   9          HG11      VAL   9  -1.378  -1.637  -1.528
   54   HG12  VAL   9          HG12      VAL   9  -1.082  -2.621  -2.963
   55   HG13  VAL   9          3HG1      VAL   9  -2.358  -3.072  -1.835
   56   HG21  VAL   9          HG21      VAL   9  -1.670   0.389  -2.883
   57   HG22  VAL   9          HG22      VAL   9  -2.882   0.449  -4.162
   58   HG23  VAL   9          HG23      VAL   9  -1.408  -0.487  -4.392
   59    HA   PRO  10           HA       PRO  10  -6.022  -5.499  -3.611
   60    HB2  PRO  10           HB2      PRO  10  -4.646  -7.791  -3.949
   61    HB3  PRO  10           HB1      PRO  10  -5.267  -6.848  -5.308
   62    HG2  PRO  10           HG2      PRO  10  -2.504  -6.932  -4.171
   63    HG3  PRO  10           HG1      PRO  10  -3.014  -6.934  -5.869
   64    HD2  PRO  10           HD2      PRO  10  -2.132  -4.704  -4.587
   65    HD3  PRO  10           HD1      PRO  10  -3.313  -4.651  -5.911
   66    H    SER  11           HN       SER  11  -6.355  -7.237  -2.049
   67    HA   SER  11           HA       SER  11  -5.260  -6.633   0.471
   68    HB2  SER  11           HB2      SER  11  -6.713  -8.781   0.934
   69    HB3  SER  11           HB1      SER  11  -7.473  -7.233   0.552
   70    HG   SER  11           HG       SER  11  -7.320  -9.560  -0.951
   71    H    GLY  12           HN       GLY  12  -3.673  -7.657   1.581
   72    HA2  GLY  12           HA2      GLY  12  -2.526  -9.642   2.210
   73    HA3  GLY  12           HA1      GLY  12  -2.715 -10.230   0.560
   74    H    THR  13           HN       THR  13  -2.040  -7.031   0.440
   75    HA   THR  13           HA       THR  13   0.563  -7.528  -0.595
   76    HB   THR  13           HB       THR  13  -0.940  -4.927  -0.233
   77    HG1  THR  13           HG1      THR  13  -2.021  -5.859  -1.790
   78   HG21  THR  13          HG21      THR  13   0.663  -3.992  -1.864
   79   HG22  THR  13          HG22      THR  13   1.551  -5.515  -1.865
   80   HG23  THR  13          HG23      THR  13   1.489  -4.533  -0.403
   81    H    CYS  14           HN       CYS  14   1.826  -8.177   1.083
   82    HA   CYS  14           HA       CYS  14   2.668  -6.040   2.926
   83    HB2  CYS  14           HB2      CYS  14   3.162  -9.033   3.033
   84    HB3  CYS  14           HB1      CYS  14   4.002  -7.883   4.061
   85    H    ALA  15           HN       ALA  15   4.133  -4.867   1.936
   86    HA   ALA  15           HA       ALA  15   6.282  -6.263   0.528
   87    HB1  ALA  15           HB1      ALA  15   4.626  -5.628  -1.173
   88    HB2  ALA  15           HB2      ALA  15   6.142  -4.750  -1.368
   89    HB3  ALA  15           HB3      ALA  15   4.747  -3.949  -0.650
   90    H    ASP  16           HN       ASP  16   8.054  -4.744  -0.007
   91    HA   ASP  16           HA       ASP  16   8.627  -3.022   2.194
   92    HB2  ASP  16           HB2      ASP  16  10.801  -2.684   1.050
   93    HB3  ASP  16           HB1      ASP  16  10.424  -4.392   1.232
   94    H    PHE  17           HN       PHE  17   8.700  -0.875   2.149
   95    HA   PHE  17           HA       PHE  17   7.812   0.534  -0.260
   96    HB2  PHE  17           HB2      PHE  17   6.597   0.675   2.503
   97    HB3  PHE  17           HB1      PHE  17   6.434   1.997   1.361
   98    HD1  PHE  17           HD1      PHE  17   5.675  -1.621   1.832
   99    HD2  PHE  17           HD2      PHE  17   4.726   1.978  -0.208
  100    HE1  PHE  17           HE1      PHE  17   3.666  -2.681   0.908
  101    HE2  PHE  17           HE2      PHE  17   2.726   0.927  -1.138
  102    HZ   PHE  17           HZ       PHE  17   2.188  -1.409  -0.594
  103    HA   PRO  18           HA       PRO  18  11.051   3.314   0.948
  104    HB2  PRO  18           HB2      PRO  18  10.073   5.683   0.023
  105    HB3  PRO  18           HB1      PRO  18  10.758   4.450  -1.045
  106    HG2  PRO  18           HG2      PRO  18   7.901   5.037  -0.392
  107    HG3  PRO  18           HG1      PRO  18   8.634   4.690  -1.969
  108    HD2  PRO  18           HD2      PRO  18   7.295   2.807  -0.596
  109    HD3  PRO  18           HD1      PRO  18   8.727   2.409  -1.565
  110    H    TRP  19           HN       TRP  19  11.158   5.692   1.902
  111    HA   TRP  19           HA       TRP  19  10.139   5.730   4.524
  112    HB2  TRP  19           HB2      TRP  19  12.185   6.918   3.647
  113    HB3  TRP  19           HB1      TRP  19  11.117   8.036   2.816
  114    HD1  TRP  19           HD1      TRP  19   9.551   9.524   4.436
  115    HE1  TRP  19           HE1      TRP  19  10.065  10.571   6.737
  116    HE3  TRP  19          3HE       TRP  19  13.463   6.570   5.727
  117    HZ2  TRP  19           HZ2      TRP  19  11.953  10.163   8.840
  118    HZ3  TRP  19           HZ3      TRP  19  14.582   6.940   7.884
  119    HH2  TRP  19          2HH       TRP  19  13.835   8.706   9.408
  120    HA   PRO  20           HA       PRO  20   9.301   6.550   6.070
  121    HB2  PRO  20           HB2      PRO  20   7.347   7.264   7.677
  122    HB3  PRO  20           HB1      PRO  20   8.256   8.488   6.781
  123    HG2  PRO  20           HG2      PRO  20   5.486   7.520   6.368
  124    HG3  PRO  20           HG1      PRO  20   6.197   9.087   5.957
  125    HD2  PRO  20           HD2      PRO  20   5.816   6.785   4.249
  126    HD3  PRO  20           HD1      PRO  20   6.474   8.373   3.812
  127    H    LEU  21           HN       LEU  21   7.649   4.570   4.359
  128    HA   LEU  21           HA       LEU  21   6.159   3.231   6.458
  129    HB2  LEU  21           HB2      LEU  21   6.332   2.688   3.512
  130    HB3  LEU  21           HB1      LEU  21   5.469   1.650   4.628
  131    HG   LEU  21           HG       LEU  21   4.817   4.550   4.070
  132   HD11  LEU  21          HD11      LEU  21   2.822   3.657   2.982
  133   HD12  LEU  21          HD12      LEU  21   3.406   2.016   3.253
  134   HD13  LEU  21          HD13      LEU  21   4.294   3.102   2.186
  135   HD21  LEU  21          HD21      LEU  21   3.428   2.487   5.787
  136   HD22  LEU  21          HD22      LEU  21   2.767   4.060   5.365
  137   HD23  LEU  21          HD23      LEU  21   4.223   3.962   6.350
  138    H    GLY  22           HN       GLY  22   8.662   2.203   4.074
  139    HA2  GLY  22           HA2      GLY  22  10.483   0.858   4.542
  140    HA3  GLY  22           HA1      GLY  22   9.864   0.584   6.171
  141    H    HIS  23           HN       HIS  23   7.648  -0.531   6.081
  142    HA   HIS  23           HA       HIS  23   7.331  -2.487   3.973
  143    HB2  HIS  23           HB2      HIS  23   8.746  -3.618   5.706
  144    HB3  HIS  23           HB1      HIS  23   7.562  -3.189   6.932
  145    HD1  HIS  23           HD1      HIS  23   5.563  -4.779   7.211
  146    HD2  HIS  23           HD2      HIS  23   7.874  -5.609   3.866
  147    HE1  HIS  23           HE1      HIS  23   4.724  -6.972   6.326
  148    H    GLN  24           HN       GLN  24   5.136  -2.958   3.772
  149    HA   GLN  24           HA       GLN  24   3.336  -1.966   5.812
  150    HB2  GLN  24           HB2      GLN  24   3.710  -0.003   4.394
  151    HB3  GLN  24           HB1      GLN  24   3.261  -0.925   2.973
  152    HG2  GLN  24           HG2      GLN  24   1.437   0.492   3.579
  153    HG3  GLN  24           HG1      GLN  24   0.984  -1.173   3.913
  154   HE21  GLN  24          1HE2      GLN  24  -0.071   1.307   4.967
  155   HE22  GLN  24          2HE2      GLN  24   0.113   1.236   6.679
  156    H    CYS  25           HN       CYS  25   1.481  -3.057   5.900
  157    HA   CYS  25           HA       CYS  25   0.968  -5.087   3.871
  158    HB2  CYS  25           HB2      CYS  25   0.517  -5.104   6.848
  159    HB3  CYS  25           HB1      CYS  25  -0.220  -6.274   5.767
  160    H    PHE  26           HN       PHE  26  -1.122  -5.397   3.241
  161    HA   PHE  26           HA       PHE  26  -3.142  -3.547   4.251
  162    HB2  PHE  26           HB2      PHE  26  -2.607  -4.127   1.319
  163    HB3  PHE  26           HB1      PHE  26  -4.008  -3.269   1.938
  164    HD1  PHE  26           HD1      PHE  26  -0.539  -3.028   0.974
  165    HD2  PHE  26           HD2      PHE  26  -3.698  -1.040   3.016
  166    HE1  PHE  26           HE1      PHE  26   0.681  -0.900   0.793
  167    HE2  PHE  26           HE2      PHE  26  -2.484   1.085   2.842
  168    HZ   PHE  26           HZ       PHE  26  -0.287   1.158   1.721
  169    HA   PRO  27           HA       PRO  27  -4.776  -7.856   4.509
  170    HB2  PRO  27           HB2      PRO  27  -6.602  -6.447   6.378
  171    HB3  PRO  27           HB1      PRO  27  -5.688  -7.939   6.619
  172    HG2  PRO  27           HG2      PRO  27  -4.927  -5.690   7.813
  173    HG3  PRO  27           HG1      PRO  27  -3.726  -6.807   7.142
  174    HD2  PRO  27           HD2      PRO  27  -4.748  -4.228   6.013
  175    HD3  PRO  27           HD1      PRO  27  -3.092  -4.867   6.055
  176    H    ASP  28           HN       ASP  28  -6.351  -4.811   3.944
  177    HA   ASP  28           HA       ASP  28  -8.565  -6.229   2.602
  178    HB2  ASP  28           HB2      ASP  28  -8.514  -3.411   3.702
  179    HB3  ASP  28           HB1      ASP  28  -9.815  -4.054   2.714
  Start of MODEL   15
    1    H1   GLY   1           HN       GLY   1  -7.210  -5.967   0.514
    2    HA2  GLY   1           HA2      GLY   1  -5.706  -3.583  -0.013
    3    HA3  GLY   1           HA1      GLY   1  -6.446  -4.645  -1.201
    4    H    PHE   2           HN       PHE   2  -6.652  -2.157  -1.842
    5    HA   PHE   2           HA       PHE   2  -9.419  -1.518  -1.407
    6    HB2  PHE   2           HB2      PHE   2  -8.951   0.834  -0.767
    7    HB3  PHE   2           HB1      PHE   2  -8.432  -0.322   0.445
    8    HD1  PHE   2           HD1      PHE   2  -7.373   2.239  -1.926
    9    HD2  PHE   2           HD2      PHE   2  -6.032  -0.703   0.849
   10    HE1  PHE   2           HE1      PHE   2  -5.157   3.285  -1.891
   11    HE2  PHE   2           HE2      PHE   2  -3.806   0.344   0.880
   12    HZ   PHE   2           HZ       PHE   2  -3.371   2.345  -0.491
   13    H    CYS   3           HN       CYS   3 -10.213   0.028  -2.910
   14    HA   CYS   3           HA       CYS   3  -8.432   0.574  -5.168
   15    HB2  CYS   3           HB2      CYS   3 -11.395  -0.041  -5.193
   16    HB3  CYS   3           HB1      CYS   3 -10.477   0.518  -6.583
   17    H    TRP   4           HN       TRP   4  -8.139   2.675  -5.498
   18    HA   TRP   4           HA       TRP   4 -10.330   4.475  -5.189
   19    HB2  TRP   4           HB2      TRP   4  -9.466   5.864  -3.488
   20    HB3  TRP   4           HB1      TRP   4  -9.171   4.243  -2.886
   21    HD1  TRP   4           HD1      TRP   4  -6.301   3.811  -4.423
   22    HE1  TRP   4           HE1      TRP   4  -4.251   5.171  -3.587
   23    HE3  TRP   4          3HE       TRP   4  -8.743   7.481  -1.865
   24    HZ2  TRP   4           HZ2      TRP   4  -3.779   7.473  -2.037
   25    HZ3  TRP   4           HZ3      TRP   4  -7.434   9.203  -0.719
   26    HH2  TRP   4          2HH       TRP   4  -4.998   9.192  -0.801
   27    H    HIS   5           HN       HIS   5  -9.918   6.426  -6.394
   28    HA   HIS   5           HA       HIS   5  -9.015   7.639  -8.136
   29    HB2  HIS   5           HB2      HIS   5  -6.441   6.537  -6.971
   30    HB3  HIS   5           HB1      HIS   5  -6.458   7.640  -8.332
   31    HD1  HIS   5           HD1      HIS   5  -5.530   9.739  -7.369
   32    HD2  HIS   5           HD2      HIS   5  -8.388   8.024  -4.900
   33    HE1  HIS   5           HE1      HIS   5  -5.814  11.334  -5.430
   34    H    HIS   6           HN       HIS   6  -9.791   4.783  -8.469
   35    HA   HIS   6           HA       HIS   6  -9.860   3.138  -9.990
   36    HB2  HIS   6           HB2      HIS   6  -8.399   5.131 -11.743
   37    HB3  HIS   6           HB1      HIS   6  -8.860   3.535 -12.312
   38    HD1  HIS   6           HD1      HIS   6 -11.309   3.193 -12.972
   39    HD2  HIS   6           HD2      HIS   6 -10.521   6.903 -11.289
   40    HE1  HIS   6           HE1      HIS   6 -13.383   4.577 -13.371
   41    H    SER   7           HN       SER   7  -7.520   3.578  -8.126
   42    HA   SER   7           HA       SER   7  -5.688   1.735  -9.442
   43    HB2  SER   7           HB2      SER   7  -4.772   3.985  -8.813
   44    HB3  SER   7           HB1      SER   7  -5.165   3.630  -7.135
   45    HG   SER   7           HG       SER   7  -3.176   2.610  -8.778
   46    H    CYS   8           HN       CYS   8  -5.910  -0.249  -8.700
   47    HA   CYS   8           HA       CYS   8  -7.014  -0.650  -6.028
   48    HB2  CYS   8           HB2      CYS   8  -6.953  -2.469  -8.423
   49    HB3  CYS   8           HB1      CYS   8  -7.461  -2.983  -6.821
   50    H    VAL   9           HN       VAL   9  -5.919  -1.566  -4.534
   51    HA   VAL   9           HA       VAL   9  -3.344  -2.836  -5.157
   52    HB   VAL   9           HB       VAL   9  -4.308  -1.656  -2.518
   53   HG11  VAL   9          HG11      VAL   9  -2.724  -3.472  -2.208
   54   HG12  VAL   9          HG12      VAL   9  -1.988  -1.930  -1.770
   55   HG13  VAL   9          3HG1      VAL   9  -1.588  -2.693  -3.309
   56   HG21  VAL   9          HG21      VAL   9  -3.920   0.130  -4.132
   57   HG22  VAL   9          HG22      VAL   9  -2.317  -0.514  -4.483
   58   HG23  VAL   9          HG23      VAL   9  -2.671   0.147  -2.887
   59    HA   PRO  10           HA       PRO  10  -6.036  -6.348  -4.024
   60    HB2  PRO  10           HB2      PRO  10  -3.615  -7.933  -4.564
   61    HB3  PRO  10           HB1      PRO  10  -5.207  -8.041  -5.316
   62    HG2  PRO  10           HG2      PRO  10  -3.086  -7.058  -6.632
   63    HG3  PRO  10           HG1      PRO  10  -4.722  -6.428  -6.885
   64    HD2  PRO  10           HD2      PRO  10  -2.468  -5.270  -5.288
   65    HD3  PRO  10           HD1      PRO  10  -3.654  -4.459  -6.337
   66    H    SER  11           HN       SER  11  -6.167  -7.727  -2.254
   67    HA   SER  11           HA       SER  11  -4.573  -7.150   0.005
   68    HB2  SER  11           HB2      SER  11  -6.448  -9.480  -0.464
   69    HB3  SER  11           HB1      SER  11  -5.950  -8.813   1.095
   70    HG   SER  11           HG       SER  11  -7.856  -7.986  -0.666
   71    H    GLY  12           HN       GLY  12  -2.634  -8.044   0.524
   72    HA2  GLY  12           HA2      GLY  12  -1.366 -10.109   0.762
   73    HA3  GLY  12           HA1      GLY  12  -1.856 -10.501  -0.888
   74    H    THR  13           HN       THR  13  -1.599  -7.410  -1.176
   75    HA   THR  13           HA       THR  13   0.963  -7.490  -2.389
   76    HB   THR  13           HB       THR  13  -0.832  -5.110  -1.869
   77    HG1  THR  13           HG1      THR  13  -2.038  -6.195  -3.168
   78   HG21  THR  13          HG21      THR  13   0.352  -4.091  -3.764
   79   HG22  THR  13          HG22      THR  13   1.352  -5.529  -3.928
   80   HG23  THR  13          HG23      THR  13   1.497  -4.515  -2.490
   81    H    CYS  14           HN       CYS  14   2.663  -7.528  -1.151
   82    HA   CYS  14           HA       CYS  14   2.890  -5.642   1.053
   83    HB2  CYS  14           HB2      CYS  14   4.688  -7.896   0.143
   84    HB3  CYS  14           HB1      CYS  14   5.108  -6.775   1.433
   85    H    ALA  15           HN       ALA  15   4.119  -3.851   0.913
   86    HA   ALA  15           HA       ALA  15   5.715  -3.501  -1.487
   87    HB1  ALA  15           HB1      ALA  15   4.701  -1.319  -1.912
   88    HB2  ALA  15           HB2      ALA  15   3.565  -1.586  -0.591
   89    HB3  ALA  15           HB3      ALA  15   3.503  -2.609  -2.026
   90    H    ASP  16           HN       ASP  16   7.400  -2.137  -1.204
   91    HA   ASP  16           HA       ASP  16   8.028  -1.473   1.528
   92    HB2  ASP  16           HB2      ASP  16  10.256  -0.854   0.613
   93    HB3  ASP  16           HB1      ASP  16   9.799  -2.509   0.232
   94    H    PHE  17           HN       PHE  17   8.260   0.524   2.298
   95    HA   PHE  17           HA       PHE  17   7.864   2.827   0.564
   96    HB2  PHE  17           HB2      PHE  17   6.308   2.377   3.138
   97    HB3  PHE  17           HB1      PHE  17   6.252   3.839   2.168
   98    HD1  PHE  17           HD1      PHE  17   4.999   0.501   2.673
   99    HD2  PHE  17           HD2      PHE  17   5.107   3.758  -0.061
  100    HE1  PHE  17           HE1      PHE  17   3.066  -0.434   1.482
  101    HE2  PHE  17           HE2      PHE  17   3.173   2.820  -1.252
  102    HZ   PHE  17           HZ       PHE  17   2.151   0.711  -0.459
  103    HA   PRO  18           HA       PRO  18  11.635   2.600   3.206
  104    HB2  PRO  18           HB2      PRO  18  12.153   4.972   1.470
  105    HB3  PRO  18           HB1      PRO  18  13.257   3.688   1.972
  106    HG2  PRO  18           HG2      PRO  18  12.197   3.618  -0.451
  107    HG3  PRO  18           HG1      PRO  18  12.334   2.133   0.506
  108    HD2  PRO  18           HD2      PRO  18   9.930   3.782  -0.095
  109    HD3  PRO  18           HD1      PRO  18  10.074   2.025   0.105
  110    H    TRP  19           HN       TRP  19  10.792   5.972   2.383
  111    HA   TRP  19           HA       TRP  19  11.291   6.490   5.165
  112    HB2  TRP  19           HB2      TRP  19  12.616   7.818   3.684
  113    HB3  TRP  19           HB1      TRP  19  11.190   8.375   2.816
  114    HD1  TRP  19           HD1      TRP  19  12.450   8.547   6.499
  115    HE1  TRP  19           HE1      TRP  19  11.907  10.894   7.407
  116    HE3  TRP  19          3HE       TRP  19  10.171  10.484   2.369
  117    HZ2  TRP  19           HZ2      TRP  19  10.674  13.267   6.472
  118    HZ3  TRP  19           HZ3      TRP  19   9.343  12.797   2.448
  119    HH2  TRP  19          2HH       TRP  19   9.592  14.155   4.461
  120    HA   PRO  20           HA       PRO  20  10.685   6.392   6.844
  121    HB2  PRO  20           HB2      PRO  20   9.332   7.175   9.022
  122    HB3  PRO  20           HB1      PRO  20  10.186   8.348   8.017
  123    HG2  PRO  20           HG2      PRO  20   7.319   8.070   8.422
  124    HG3  PRO  20           HG1      PRO  20   8.192   9.340   7.553
  125    HD2  PRO  20           HD2      PRO  20   6.905   6.884   6.512
  126    HD3  PRO  20           HD1      PRO  20   7.248   8.409   5.669
  127    H    LEU  21           HN       LEU  21   8.659   4.644   5.573
  128    HA   LEU  21           HA       LEU  21   7.282   3.457   7.900
  129    HB2  LEU  21           HB2      LEU  21   6.660   3.115   4.982
  130    HB3  LEU  21           HB1      LEU  21   5.738   2.424   6.298
  131    HG   LEU  21           HG       LEU  21   5.993   5.352   5.610
  132   HD11  LEU  21          HD11      LEU  21   4.573   4.148   4.085
  133   HD12  LEU  21          HD12      LEU  21   3.608   5.199   5.122
  134   HD13  LEU  21          HD13      LEU  21   3.665   3.464   5.433
  135   HD21  LEU  21          HD21      LEU  21   4.433   4.040   7.843
  136   HD22  LEU  21          HD22      LEU  21   4.336   5.738   7.385
  137   HD23  LEU  21          HD23      LEU  21   5.839   5.088   8.034
  138    H    GLY  22           HN       GLY  22   9.577   2.775   5.444
  139    HA2  GLY  22           HA2      GLY  22  11.085   1.028   5.394
  140    HA3  GLY  22           HA1      GLY  22  10.196   0.261   6.708
  141    H    HIS  23           HN       HIS  23   8.239  -0.828   6.215
  142    HA   HIS  23           HA       HIS  23   7.719  -1.563   3.456
  143    HB2  HIS  23           HB2      HIS  23   9.557  -3.083   4.213
  144    HB3  HIS  23           HB1      HIS  23   8.536  -3.619   5.537
  145    HD1  HIS  23           HD1      HIS  23   6.919  -5.534   5.027
  146    HD2  HIS  23           HD2      HIS  23   8.654  -3.886   1.629
  147    HE1  HIS  23           HE1      HIS  23   6.302  -7.052   3.143
  148    H    GLN  24           HN       GLN  24   5.593  -2.521   3.238
  149    HA   GLN  24           HA       GLN  24   4.014  -2.773   5.680
  150    HB2  GLN  24           HB2      GLN  24   3.920  -0.356   4.694
  151    HB3  GLN  24           HB1      GLN  24   3.087  -1.114   3.368
  152    HG2  GLN  24           HG2      GLN  24   1.321  -1.879   4.807
  153    HG3  GLN  24           HG1      GLN  24   2.141  -1.198   6.210
  154   HE21  GLN  24          1HE2      GLN  24  -0.461  -0.598   5.219
  155   HE22  GLN  24          2HE2      GLN  24  -0.486   1.087   4.833
  156    H    CYS  25           HN       CYS  25   2.318  -4.238   5.409
  157    HA   CYS  25           HA       CYS  25   1.946  -5.347   2.728
  158    HB2  CYS  25           HB2      CYS  25   1.947  -6.779   5.389
  159    HB3  CYS  25           HB1      CYS  25   1.318  -7.489   3.910
  160    H    PHE  26           HN       PHE  26  -0.101  -5.535   2.023
  161    HA   PHE  26           HA       PHE  26  -2.120  -4.374   3.781
  162    HB2  PHE  26           HB2      PHE  26  -2.125  -4.728   0.774
  163    HB3  PHE  26           HB1      PHE  26  -3.391  -3.943   1.709
  164    HD1  PHE  26           HD1      PHE  26  -0.038  -3.628   0.319
  165    HD2  PHE  26           HD2      PHE  26  -3.007  -1.760   2.723
  166    HE1  PHE  26           HE1      PHE  26   1.161  -1.497   0.129
  167    HE2  PHE  26           HE2      PHE  26  -1.809   0.378   2.537
  168    HZ   PHE  26           HZ       PHE  26   0.277   0.513   1.246
  169    HA   PRO  27           HA       PRO  27  -3.655  -8.665   3.866
  170    HB2  PRO  27           HB2      PRO  27  -5.178  -8.366   6.092
  171    HB3  PRO  27           HB1      PRO  27  -3.434  -8.625   6.185
  172    HG2  PRO  27           HG2      PRO  27  -4.990  -6.088   6.443
  173    HG3  PRO  27           HG1      PRO  27  -3.581  -6.636   7.366
  174    HD2  PRO  27           HD2      PRO  27  -3.454  -4.832   5.322
  175    HD3  PRO  27           HD1      PRO  27  -2.102  -5.888   5.777
  176    H    ASP  28           HN       ASP  28  -5.172  -5.624   3.843
  177    HA   ASP  28           HA       ASP  28  -7.483  -6.709   2.443
  178    HB2  ASP  28           HB2      ASP  28  -8.244  -6.195   4.728
  179    HB3  ASP  28           HB1      ASP  28  -7.582  -4.568   4.590
  Start of MODEL   16
    1    H1   GLY   1           HN       GLY   1  -6.784  -6.670   0.150
    2    HA2  GLY   1           HA2      GLY   1  -5.695  -3.992  -0.201
    3    HA3  GLY   1           HA1      GLY   1  -5.897  -5.202  -1.462
    4    H    PHE   2           HN       PHE   2  -6.693  -3.060  -2.413
    5    HA   PHE   2           HA       PHE   2  -9.483  -3.137  -2.661
    6    HB2  PHE   2           HB2      PHE   2  -9.934  -0.807  -1.832
    7    HB3  PHE   2           HB1      PHE   2  -9.517  -1.923  -0.542
    8    HD1  PHE   2           HD1      PHE   2  -8.665   1.142  -2.229
    9    HD2  PHE   2           HD2      PHE   2  -7.201  -1.814   0.457
   10    HE1  PHE   2           HE1      PHE   2  -6.902   2.677  -1.481
   11    HE2  PHE   2           HE2      PHE   2  -5.439  -0.273   1.195
   12    HZ   PHE   2           HZ       PHE   2  -5.296   1.978   0.224
   13    H    CYS   3           HN       CYS   3 -10.147  -1.384  -4.226
   14    HA   CYS   3           HA       CYS   3  -7.865  -0.794  -5.957
   15    HB2  CYS   3           HB2      CYS   3 -10.772  -1.260  -6.645
   16    HB3  CYS   3           HB1      CYS   3  -9.546  -0.788  -7.808
   17    H    TRP   4           HN       TRP   4  -7.312   1.273  -6.151
   18    HA   TRP   4           HA       TRP   4  -9.317   3.332  -6.177
   19    HB2  TRP   4           HB2      TRP   4  -8.582   4.563  -4.280
   20    HB3  TRP   4           HB1      TRP   4  -8.712   2.888  -3.755
   21    HD1  TRP   4           HD1      TRP   4  -5.758   1.911  -4.738
   22    HE1  TRP   4           HE1      TRP   4  -3.701   2.715  -3.451
   23    HE3  TRP   4          3HE       TRP   4  -7.808   5.996  -2.447
   24    HZ2  TRP   4           HZ2      TRP   4  -3.030   4.833  -1.678
   25    HZ3  TRP   4           HZ3      TRP   4  -6.393   7.347  -0.961
   26    HH2  TRP   4          2HH       TRP   4  -4.051   6.768  -0.586
   27    H    HIS   5           HN       HIS   5  -8.332   5.408  -6.852
   28    HA   HIS   5           HA       HIS   5  -6.980   6.670  -8.208
   29    HB2  HIS   5           HB2      HIS   5  -4.903   4.958  -6.839
   30    HB3  HIS   5           HB1      HIS   5  -4.428   6.122  -8.057
   31    HD1  HIS   5           HD1      HIS   5  -3.241   7.856  -6.608
   32    HD2  HIS   5           HD2      HIS   5  -6.946   6.743  -5.089
   33    HE1  HIS   5           HE1      HIS   5  -3.694   9.399  -4.697
   34    H    HIS   6           HN       HIS   6  -8.144   4.118  -9.150
   35    HA   HIS   6           HA       HIS   6  -8.184   2.713 -10.873
   36    HB2  HIS   6           HB2      HIS   6  -6.389   4.812 -12.102
   37    HB3  HIS   6           HB1      HIS   6  -6.936   3.396 -12.997
   38    HD1  HIS   6           HD1      HIS   6  -9.424   3.327 -13.682
   39    HD2  HIS   6           HD2      HIS   6  -8.321   6.739 -11.602
   40    HE1  HIS   6           HE1      HIS   6 -11.364   4.934 -13.901
   41    H    SER   7           HN       SER   7  -6.370   2.235  -8.757
   42    HA   SER   7           HA       SER   7  -4.694   0.336 -10.135
   43    HB2  SER   7           HB2      SER   7  -2.844   0.845  -8.439
   44    HB3  SER   7           HB1      SER   7  -3.088   2.045  -9.705
   45    HG   SER   7           HG       SER   7  -4.642   2.589  -7.562
   46    H    CYS   8           HN       CYS   8  -5.121  -1.607  -9.416
   47    HA   CYS   8           HA       CYS   8  -6.552  -1.874  -6.944
   48    HB2  CYS   8           HB2      CYS   8  -5.969  -3.787  -9.177
   49    HB3  CYS   8           HB1      CYS   8  -6.644  -4.327  -7.642
   50    H    VAL   9           HN       VAL   9  -5.695  -2.212  -5.133
   51    HA   VAL   9           HA       VAL   9  -2.972  -3.172  -4.880
   52    HB   VAL   9           HB       VAL   9  -4.967  -2.187  -2.801
   53   HG11  VAL   9          HG11      VAL   9  -3.278  -3.625  -1.814
   54   HG12  VAL   9          HG12      VAL   9  -3.044  -1.952  -1.310
   55   HG13  VAL   9          3HG1      VAL   9  -2.003  -2.653  -2.548
   56   HG21  VAL   9          HG21      VAL   9  -3.670  -0.101  -2.781
   57   HG22  VAL   9          HG22      VAL   9  -4.396  -0.410  -4.359
   58   HG23  VAL   9          HG23      VAL   9  -2.678  -0.715  -4.104
   59    HA   PRO  10           HA       PRO  10  -4.958  -7.139  -4.129
   60    HB2  PRO  10           HB2      PRO  10  -2.688  -8.637  -4.103
   61    HB3  PRO  10           HB1      PRO  10  -3.472  -8.094  -5.588
   62    HG2  PRO  10           HG2      PRO  10  -1.032  -7.065  -4.250
   63    HG3  PRO  10           HG1      PRO  10  -1.436  -7.113  -5.968
   64    HD2  PRO  10           HD2      PRO  10  -1.598  -4.869  -4.326
   65    HD3  PRO  10           HD1      PRO  10  -2.392  -5.059  -5.899
   66    H    SER  11           HN       SER  11  -5.330  -8.396  -2.367
   67    HA   SER  11           HA       SER  11  -4.534  -7.480   0.191
   68    HB2  SER  11           HB2      SER  11  -5.903 -10.056  -0.615
   69    HB3  SER  11           HB1      SER  11  -5.888  -9.331   0.995
   70    HG   SER  11           HG       SER  11  -7.790  -8.828  -0.055
   71    H    GLY  12           HN       GLY  12  -2.479  -7.865   0.998
   72    HA2  GLY  12           HA2      GLY  12  -1.199  -9.685   1.937
   73    HA3  GLY  12           HA1      GLY  12  -1.347 -10.477   0.368
   74    H    THR  13           HN       THR  13  -1.120  -7.310  -0.370
   75    HA   THR  13           HA       THR  13   1.657  -7.692  -0.893
   76    HB   THR  13           HB       THR  13   0.191  -6.743  -2.693
   77    HG1  THR  13           HG1      THR  13   2.075  -6.173  -3.253
   78   HG21  THR  13          HG21      THR  13   0.176  -4.266  -0.966
   79   HG22  THR  13          HG22      THR  13  -1.233  -5.255  -1.360
   80   HG23  THR  13          HG23      THR  13  -0.401  -4.351  -2.627
   81    H    CYS  14           HN       CYS  14   3.058  -7.242   0.457
   82    HA   CYS  14           HA       CYS  14   2.766  -4.883   2.173
   83    HB2  CYS  14           HB2      CYS  14   3.957  -7.530   3.030
   84    HB3  CYS  14           HB1      CYS  14   3.674  -6.119   4.047
   85    H    ALA  15           HN       ALA  15   4.430  -3.527   1.995
   86    HA   ALA  15           HA       ALA  15   7.006  -4.544   1.136
   87    HB1  ALA  15           HB1      ALA  15   5.494  -2.436  -0.398
   88    HB2  ALA  15           HB2      ALA  15   5.817  -4.083  -0.937
   89    HB3  ALA  15           HB3      ALA  15   7.153  -2.954  -0.705
   90    H    ASP  16           HN       ASP  16   8.556  -2.622   1.009
   91    HA   ASP  16           HA       ASP  16   8.194  -1.089   3.416
   92    HB2  ASP  16           HB2      ASP  16  10.530  -0.487   3.158
   93    HB3  ASP  16           HB1      ASP  16  10.358  -2.228   2.977
   94    H    PHE  17           HN       PHE  17   8.024   1.039   3.463
   95    HA   PHE  17           HA       PHE  17   8.035   2.570   0.979
   96    HB2  PHE  17           HB2      PHE  17   5.858   2.583   3.093
   97    HB3  PHE  17           HB1      PHE  17   6.041   3.869   1.920
   98    HD1  PHE  17           HD1      PHE  17   5.253   0.289   2.348
   99    HD2  PHE  17           HD2      PHE  17   5.163   3.634  -0.266
  100    HE1  PHE  17           HE1      PHE  17   3.774  -0.949   0.836
  101    HE2  PHE  17           HE2      PHE  17   3.683   2.399  -1.794
  102    HZ   PHE  17           HZ       PHE  17   2.981   0.104  -1.237
  103    HA   PRO  18           HA       PRO  18  10.931   3.949   4.252
  104    HB2  PRO  18           HB2      PRO  18  11.884   5.553   1.933
  105    HB3  PRO  18           HB1      PRO  18  12.802   4.602   3.105
  106    HG2  PRO  18           HG2      PRO  18  12.382   3.676   0.646
  107    HG3  PRO  18           HG1      PRO  18  12.343   2.596   2.048
  108    HD2  PRO  18           HD2      PRO  18  10.088   3.686   0.435
  109    HD3  PRO  18           HD1      PRO  18  10.262   2.104   1.215
  110    H    TRP  19           HN       TRP  19  10.115   6.466   1.856
  111    HA   TRP  19           HA       TRP  19   9.897   8.237   4.110
  112    HB2  TRP  19           HB2      TRP  19  11.405   8.990   2.405
  113    HB3  TRP  19           HB1      TRP  19  10.159   8.840   1.170
  114    HD1  TRP  19           HD1      TRP  19  10.814  10.917   4.375
  115    HE1  TRP  19           HE1      TRP  19   9.770  13.243   4.054
  116    HE3  TRP  19          3HE       TRP  19   8.659  10.191  -0.189
  117    HZ2  TRP  19           HZ2      TRP  19   8.227  14.601   2.100
  118    HZ3  TRP  19           HZ3      TRP  19   7.420  12.038  -1.225
  119    HH2  TRP  19          2HH       TRP  19   7.208  14.210  -0.097
  120    HA   PRO  20           HA       PRO  20   8.915   8.710   5.525
  121    HB2  PRO  20           HB2      PRO  20   6.974  10.183   6.765
  122    HB3  PRO  20           HB1      PRO  20   8.171  10.893   5.679
  123    HG2  PRO  20           HG2      PRO  20   5.355  10.786   5.280
  124    HG3  PRO  20           HG1      PRO  20   6.574  11.338   4.124
  125    HD2  PRO  20           HD2      PRO  20   5.293   8.650   4.390
  126    HD3  PRO  20           HD1      PRO  20   5.777   9.521   2.913
  127    H    LEU  21           HN       LEU  21   7.449   6.295   4.941
  128    HA   LEU  21           HA       LEU  21   5.646   5.994   7.251
  129    HB2  LEU  21           HB2      LEU  21   5.955   4.182   4.858
  130    HB3  LEU  21           HB1      LEU  21   4.893   3.845   6.190
  131    HG   LEU  21           HG       LEU  21   3.767   6.100   5.498
  132   HD11  LEU  21          HD11      LEU  21   3.909   6.599   3.145
  133   HD12  LEU  21          HD12      LEU  21   5.085   5.314   2.919
  134   HD13  LEU  21          HD13      LEU  21   5.513   6.727   3.876
  135   HD21  LEU  21          HD21      LEU  21   2.699   3.927   5.390
  136   HD22  LEU  21          HD22      LEU  21   3.518   3.584   3.865
  137   HD23  LEU  21          HD23      LEU  21   2.326   4.882   3.955
  138    H    GLY  22           HN       GLY  22   7.812   3.859   5.508
  139    HA2  GLY  22           HA2      GLY  22   9.727   2.942   6.802
  140    HA3  GLY  22           HA1      GLY  22   8.523   2.574   8.046
  141    H    HIS  23           HN       HIS  23   6.715   1.213   7.413
  142    HA   HIS  23           HA       HIS  23   7.142  -0.509   5.102
  143    HB2  HIS  23           HB2      HIS  23   8.369  -1.588   6.985
  144    HB3  HIS  23           HB1      HIS  23   6.902  -1.557   7.948
  145    HD1  HIS  23           HD1      HIS  23   5.207  -3.487   7.556
  146    HD2  HIS  23           HD2      HIS  23   8.390  -3.457   4.878
  147    HE1  HIS  23           HE1      HIS  23   5.092  -5.665   6.336
  148    H    GLN  24           HN       GLN  24   5.180  -1.252   4.274
  149    HA   GLN  24           HA       GLN  24   2.783  -0.730   5.877
  150    HB2  GLN  24           HB2      GLN  24   3.179   1.141   4.198
  151    HB3  GLN  24           HB1      GLN  24   3.074  -0.068   2.945
  152    HG2  GLN  24           HG2      GLN  24   0.992   1.102   3.089
  153    HG3  GLN  24           HG1      GLN  24   0.771  -0.567   3.600
  154   HE21  GLN  24          1HE2      GLN  24  -1.098  -0.058   4.735
  155   HE22  GLN  24          2HE2      GLN  24  -1.057   0.797   6.227
  156    H    CYS  25           HN       CYS  25   1.618  -2.530   5.992
  157    HA   CYS  25           HA       CYS  25   1.867  -4.517   3.856
  158    HB2  CYS  25           HB2      CYS  25   2.948  -5.206   5.978
  159    HB3  CYS  25           HB1      CYS  25   1.443  -4.926   6.828
  160    H    PHE  26           HN       PHE  26  -0.024  -4.898   2.830
  161    HA   PHE  26           HA       PHE  26  -2.472  -3.918   4.111
  162    HB2  PHE  26           HB2      PHE  26  -1.967  -4.548   1.184
  163    HB3  PHE  26           HB1      PHE  26  -3.444  -3.902   1.861
  164    HD1  PHE  26           HD1      PHE  26  -0.060  -3.146   0.777
  165    HD2  PHE  26           HD2      PHE  26  -3.562  -1.570   2.596
  166    HE1  PHE  26           HE1      PHE  26   0.740  -0.857   0.326
  167    HE2  PHE  26           HE2      PHE  26  -2.772   0.714   2.157
  168    HZ   PHE  26           HZ       PHE  26  -0.617   1.074   1.017
  169    HA   PRO  27           HA       PRO  27  -3.094  -8.463   4.543
  170    HB2  PRO  27           HB2      PRO  27  -5.370  -7.405   6.139
  171    HB3  PRO  27           HB1      PRO  27  -4.176  -8.626   6.584
  172    HG2  PRO  27           HG2      PRO  27  -4.079  -6.191   7.649
  173    HG3  PRO  27           HG1      PRO  27  -2.592  -7.047   7.200
  174    HD2  PRO  27           HD2      PRO  27  -3.997  -4.822   5.777
  175    HD3  PRO  27           HD1      PRO  27  -2.263  -5.103   6.006
  176    H    ASP  28           HN       ASP  28  -5.427  -5.879   3.961
  177    HA   ASP  28           HA       ASP  28  -6.720  -7.545   1.975
  178    HB2  ASP  28           HB2      ASP  28  -8.084  -5.672   3.938
  179    HB3  ASP  28           HB1      ASP  28  -8.850  -6.283   2.482
  Start of MODEL   17
    1    H1   GLY   1           HN       GLY   1  -4.667  -5.804   2.692
    2    HA2  GLY   1           HA2      GLY   1  -3.981  -4.962   0.620
    3    HA3  GLY   1           HA1      GLY   1  -5.123  -6.070  -0.126
    4    H    PHE   2           HN       PHE   2  -5.446  -4.142  -1.591
    5    HA   PHE   2           HA       PHE   2  -7.930  -3.008  -0.947
    6    HB2  PHE   2           HB2      PHE   2  -7.396  -0.612  -0.872
    7    HB3  PHE   2           HB1      PHE   2  -6.614  -1.446   0.456
    8    HD1  PHE   2           HD1      PHE   2  -6.127   0.435  -2.641
    9    HD2  PHE   2           HD2      PHE   2  -4.172  -1.635   0.522
   10    HE1  PHE   2           HE1      PHE   2  -3.996   1.501  -3.259
   11    HE2  PHE   2           HE2      PHE   2  -2.051  -0.575  -0.097
   12    HZ   PHE   2           HZ       PHE   2  -1.961   1.001  -1.989
   13    H    CYS   3           HN       CYS   3  -8.586  -1.386  -2.666
   14    HA   CYS   3           HA       CYS   3  -6.938  -1.605  -5.034
   15    HB2  CYS   3           HB2      CYS   3  -8.753  -3.325  -5.228
   16    HB3  CYS   3           HB1      CYS   3  -9.949  -2.042  -5.064
   17    H    TRP   4           HN       TRP   4  -6.385   0.362  -5.503
   18    HA   TRP   4           HA       TRP   4  -8.345   2.454  -5.557
   19    HB2  TRP   4           HB2      TRP   4  -7.610   2.377  -3.199
   20    HB3  TRP   4           HB1      TRP   4  -5.949   2.609  -3.705
   21    HD1  TRP   4           HD1      TRP   4  -8.647   4.770  -5.362
   22    HE1  TRP   4           HE1      TRP   4  -8.389   7.201  -4.548
   23    HE3  TRP   4          3HE       TRP   4  -5.130   4.046  -1.733
   24    HZ2  TRP   4           HZ2      TRP   4  -6.884   8.614  -2.653
   25    HZ3  TRP   4           HZ3      TRP   4  -4.322   6.004  -0.491
   26    HH2  TRP   4          2HH       TRP   4  -5.178   8.222  -0.937
   27    H    HIS   5           HN       HIS   5  -7.477   4.311  -6.632
   28    HA   HIS   5           HA       HIS   5  -6.411   5.348  -8.303
   29    HB2  HIS   5           HB2      HIS   5  -3.978   3.643  -7.577
   30    HB3  HIS   5           HB1      HIS   5  -4.060   5.035  -8.655
   31    HD1  HIS   5           HD1      HIS   5  -3.626   7.317  -7.622
   32    HD2  HIS   5           HD2      HIS   5  -4.339   4.362  -4.796
   33    HE1  HIS   5           HE1      HIS   5  -3.114   8.342  -5.358
   34    H    HIS   6           HN       HIS   6  -7.856   2.903  -8.511
   35    HA   HIS   6           HA       HIS   6  -8.587   1.366  -9.950
   36    HB2  HIS   6           HB2      HIS   6  -8.379   3.292 -11.581
   37    HB3  HIS   6           HB1      HIS   6  -6.791   2.687 -12.019
   38    HD1  HIS   6           HD1      HIS   6  -6.979   1.604 -14.260
   39    HD2  HIS   6           HD2      HIS   6 -10.296   0.857 -11.881
   40    HE1  HIS   6           HE1      HIS   6  -8.498   0.128 -15.639
   41    H    SER   7           HN       SER   7  -6.096   1.003  -8.365
   42    HA   SER   7           HA       SER   7  -5.048  -1.261  -9.892
   43    HB2  SER   7           HB2      SER   7  -3.555   0.439  -7.886
   44    HB3  SER   7           HB1      SER   7  -2.887  -0.871  -8.862
   45    HG   SER   7           HG       SER   7  -3.160   1.696  -9.436
   46    H    CYS   8           HN       CYS   8  -5.875  -3.026  -8.979
   47    HA   CYS   8           HA       CYS   8  -6.514  -3.079  -6.159
   48    HB2  CYS   8           HB2      CYS   8  -6.822  -5.225  -8.272
   49    HB3  CYS   8           HB1      CYS   8  -7.449  -5.295  -6.634
   50    H    VAL   9           HN       VAL   9  -5.174  -3.874  -4.664
   51    HA   VAL   9           HA       VAL   9  -2.951  -5.461  -5.637
   52    HB   VAL   9           HB       VAL   9  -2.303  -3.209  -4.776
   53   HG11  VAL   9          HG11      VAL   9  -3.971  -2.819  -3.137
   54   HG12  VAL   9          HG12      VAL   9  -2.368  -2.675  -2.420
   55   HG13  VAL   9          3HG1      VAL   9  -3.337  -4.122  -2.132
   56   HG21  VAL   9          HG21      VAL   9  -0.502  -3.930  -3.269
   57   HG22  VAL   9          HG22      VAL   9  -0.662  -4.973  -4.681
   58   HG23  VAL   9          HG23      VAL   9  -1.284  -5.503  -3.116
   59    HA   PRO  10           HA       PRO  10  -4.758  -8.824  -3.417
   60    HB2  PRO  10           HB2      PRO  10  -2.378 -10.177  -2.888
   61    HB3  PRO  10           HB1      PRO  10  -3.346 -10.341  -4.354
   62    HG2  PRO  10           HG2      PRO  10  -0.910  -8.695  -3.864
   63    HG3  PRO  10           HG1      PRO  10  -1.387  -9.587  -5.318
   64    HD2  PRO  10           HD2      PRO  10  -1.624  -6.937  -5.166
   65    HD3  PRO  10           HD1      PRO  10  -2.837  -7.920  -6.013
   66    H    SER  11           HN       SER  11  -4.789  -9.795  -1.374
   67    HA   SER  11           HA       SER  11  -4.572  -7.994   0.745
   68    HB2  SER  11           HB2      SER  11  -4.888 -10.995   0.839
   69    HB3  SER  11           HB1      SER  11  -5.265  -9.855   2.133
   70    HG   SER  11           HG       SER  11  -6.439  -9.440  -0.373
   71    H    GLY  12           HN       GLY  12  -3.218  -7.941   2.542
   72    HA2  GLY  12           HA2      GLY  12  -1.294  -8.325   3.753
   73    HA3  GLY  12           HA1      GLY  12  -0.846  -9.573   2.589
   74    H    THR  13           HN       THR  13  -1.665  -6.161   2.096
   75    HA   THR  13           HA       THR  13   0.644  -5.871   0.404
   76    HB   THR  13           HB       THR  13  -1.214  -3.683   1.306
   77    HG1  THR  13           HG1      THR  13  -1.633  -5.785  -0.551
   78   HG21  THR  13          HG21      THR  13   0.788  -3.012   0.057
   79   HG22  THR  13          HG22      THR  13  -0.667  -2.733  -0.900
   80   HG23  THR  13          HG23      THR  13   0.358  -4.129  -1.239
   81    H    CYS  14           HN       CYS  14   2.054  -6.378   2.224
   82    HA   CYS  14           HA       CYS  14   2.595  -3.987   3.818
   83    HB2  CYS  14           HB2      CYS  14   3.208  -6.846   4.609
   84    HB3  CYS  14           HB1      CYS  14   3.378  -5.407   5.615
   85    H    ALA  15           HN       ALA  15   4.121  -2.996   2.891
   86    HA   ALA  15           HA       ALA  15   6.562  -4.308   2.188
   87    HB1  ALA  15           HB1      ALA  15   5.183  -4.778   0.213
   88    HB2  ALA  15           HB2      ALA  15   6.515  -3.688  -0.165
   89    HB3  ALA  15           HB3      ALA  15   4.881  -3.050   0.018
   90    H    ASP  16           HN       ASP  16   7.930  -2.612   1.006
   91    HA   ASP  16           HA       ASP  16   7.888  -0.227   2.637
   92    HB2  ASP  16           HB2      ASP  16  10.211   0.016   1.860
   93    HB3  ASP  16           HB1      ASP  16   9.927  -1.567   2.567
   94    H    PHE  17           HN       PHE  17   7.375   1.681   1.869
   95    HA   PHE  17           HA       PHE  17   7.225   2.157  -1.025
   96    HB2  PHE  17           HB2      PHE  17   5.389   3.076   1.214
   97    HB3  PHE  17           HB1      PHE  17   5.330   3.748  -0.405
   98    HD1  PHE  17           HD1      PHE  17   4.816   0.668   1.582
   99    HD2  PHE  17           HD2      PHE  17   4.140   2.646  -2.123
  100    HE1  PHE  17           HE1      PHE  17   3.221  -1.093   0.938
  101    HE2  PHE  17           HE2      PHE  17   2.553   0.892  -2.773
  102    HZ   PHE  17           HZ       PHE  17   2.088  -0.983  -1.243
  103    HA   PRO  18           HA       PRO  18   9.988   5.568  -0.327
  104    HB2  PRO  18           HB2      PRO  18   8.758   7.653  -1.654
  105    HB3  PRO  18           HB1      PRO  18   9.710   6.393  -2.443
  106    HG2  PRO  18           HG2      PRO  18   6.738   6.593  -2.114
  107    HG3  PRO  18           HG1      PRO  18   7.674   6.119  -3.544
  108    HD2  PRO  18           HD2      PRO  18   6.500   4.280  -2.026
  109    HD3  PRO  18           HD1      PRO  18   8.116   3.994  -2.700
  110    H    TRP  19           HN       TRP  19  10.121   7.881   0.463
  111    HA   TRP  19           HA       TRP  19   8.807   8.199   2.968
  112    HB2  TRP  19           HB2      TRP  19  11.109   9.056   2.269
  113    HB3  TRP  19           HB1      TRP  19  10.281  10.280   1.324
  114    HD1  TRP  19           HD1      TRP  19   8.720  11.996   2.853
  115    HE1  TRP  19           HE1      TRP  19   9.242  13.009   5.197
  116    HE3  TRP  19          3HE       TRP  19  12.287   8.703   4.363
  117    HZ2  TRP  19           HZ2      TRP  19  10.970  12.470   7.353
  118    HZ3  TRP  19           HZ3      TRP  19  13.339   9.018   6.562
  119    HH2  TRP  19          2HH       TRP  19  12.695  10.861   8.019
  120    HA   PRO  20           HA       PRO  20   7.966   9.413   4.325
  121    HB2  PRO  20           HB2      PRO  20   5.904  10.434   5.611
  122    HB3  PRO  20           HB1      PRO  20   7.046  11.486   4.767
  123    HG2  PRO  20           HG2      PRO  20   4.280  10.701   3.999
  124    HG3  PRO  20           HG1      PRO  20   5.147  12.212   3.682
  125    HD2  PRO  20           HD2      PRO  20   4.825  10.006   1.909
  126    HD3  PRO  20           HD1      PRO  20   5.824  11.443   1.657
  127    H    LEU  21           HN       LEU  21   6.266   7.474   2.560
  128    HA   LEU  21           HA       LEU  21   4.357   6.445   4.432
  129    HB2  LEU  21           HB2      LEU  21   5.347   5.246   1.840
  130    HB3  LEU  21           HB1      LEU  21   4.073   4.563   2.822
  131    HG   LEU  21           HG       LEU  21   2.831   6.781   2.405
  132   HD11  LEU  21          HD11      LEU  21   4.818   6.944   0.154
  133   HD12  LEU  21          HD12      LEU  21   4.718   8.033   1.530
  134   HD13  LEU  21          HD13      LEU  21   3.393   7.966   0.366
  135   HD21  LEU  21          HD21      LEU  21   2.142   4.665   1.452
  136   HD22  LEU  21          HD22      LEU  21   3.317   4.845   0.150
  137   HD23  LEU  21          HD23      LEU  21   1.956   5.959   0.268
  138    H    GLY  22           HN       GLY  22   7.283   5.011   2.959
  139    HA2  GLY  22           HA2      GLY  22   8.830   3.617   3.906
  140    HA3  GLY  22           HA1      GLY  22   8.106   3.936   5.482
  141    H    HIS  23           HN       HIS  23   7.703   1.955   6.284
  142    HA   HIS  23           HA       HIS  23   6.713  -0.089   4.521
  143    HB2  HIS  23           HB2      HIS  23   8.285  -0.666   6.348
  144    HB3  HIS  23           HB1      HIS  23   7.068  -0.195   7.527
  145    HD1  HIS  23           HD1      HIS  23   5.318  -1.961   8.131
  146    HD2  HIS  23           HD2      HIS  23   7.622  -2.975   4.833
  147    HE1  HIS  23           HE1      HIS  23   4.732  -4.359   7.583
  148    H    GLN  24           HN       GLN  24   4.727  -0.251   3.984
  149    HA   GLN  24           HA       GLN  24   2.601   0.707   5.794
  150    HB2  GLN  24           HB2      GLN  24   2.539   0.324   2.785
  151    HB3  GLN  24           HB1      GLN  24   1.206   0.907   3.771
  152    HG2  GLN  24           HG2      GLN  24   3.852   2.307   3.468
  153    HG3  GLN  24           HG1      GLN  24   2.399   2.691   2.547
  154   HE21  GLN  24          1HE2      GLN  24   3.902   2.782   5.693
  155   HE22  GLN  24          2HE2      GLN  24   2.801   3.917   6.381
  156    H    CYS  25           HN       CYS  25   0.785  -0.746   6.041
  157    HA   CYS  25           HA       CYS  25   1.146  -3.377   4.930
  158    HB2  CYS  25           HB2      CYS  25   2.536  -3.413   6.963
  159    HB3  CYS  25           HB1      CYS  25   1.142  -2.927   7.915
  160    H    PHE  26           HN       PHE  26  -0.648  -3.433   3.954
  161    HA   PHE  26           HA       PHE  26  -3.162  -2.953   5.401
  162    HB2  PHE  26           HB2      PHE  26  -2.719  -3.321   2.418
  163    HB3  PHE  26           HB1      PHE  26  -4.224  -2.906   3.193
  164    HD1  PHE  26           HD1      PHE  26  -0.862  -1.650   2.339
  165    HD2  PHE  26           HD2      PHE  26  -4.738  -0.685   3.804
  166    HE1  PHE  26           HE1      PHE  26  -0.371   0.741   2.055
  167    HE2  PHE  26           HE2      PHE  26  -4.255   1.692   3.527
  168    HZ   PHE  26           HZ       PHE  26  -2.068   2.419   2.652
  169    HA   PRO  27           HA       PRO  27  -2.639  -7.464   5.733
  170    HB2  PRO  27           HB2      PRO  27  -5.172  -7.097   7.238
  171    HB3  PRO  27           HB1      PRO  27  -3.713  -7.982   7.698
  172    HG2  PRO  27           HG2      PRO  27  -4.228  -5.631   8.796
  173    HG3  PRO  27           HG1      PRO  27  -2.576  -6.052   8.307
  174    HD2  PRO  27           HD2      PRO  27  -4.553  -4.272   6.941
  175    HD3  PRO  27           HD1      PRO  27  -2.804  -4.071   7.157
  176    H    ASP  28           HN       ASP  28  -5.676  -5.841   4.889
  177    HA   ASP  28           HA       ASP  28  -6.471  -8.281   3.463
  178    HB2  ASP  28           HB2      ASP  28  -8.738  -7.422   3.370
  179    HB3  ASP  28           HB1      ASP  28  -8.151  -7.347   5.021
  Start of MODEL   18
    1    H1   GLY   1           HN       GLY   1  -5.757  -5.468   1.631
    2    HA2  GLY   1           HA2      GLY   1  -5.311  -4.721  -0.525
    3    HA3  GLY   1           HA1      GLY   1  -6.325  -6.017  -1.147
    4    H    PHE   2           HN       PHE   2  -6.416  -3.361  -2.168
    5    HA   PHE   2           HA       PHE   2  -9.204  -2.947  -1.971
    6    HB2  PHE   2           HB2      PHE   2  -9.290  -0.682  -1.054
    7    HB3  PHE   2           HB1      PHE   2  -8.649  -1.813   0.123
    8    HD1  PHE   2           HD1      PHE   2  -7.930   1.100  -1.976
    9    HD2  PHE   2           HD2      PHE   2  -6.343  -1.646   0.870
   10    HE1  PHE   2           HE1      PHE   2  -6.039   2.613  -1.573
   11    HE2  PHE   2           HE2      PHE   2  -4.446  -0.129   1.263
   12    HZ   PHE   2           HZ       PHE   2  -4.296   1.996   0.048
   13    H    CYS   3           HN       CYS   3  -9.964  -1.107  -3.257
   14    HA   CYS   3           HA       CYS   3  -8.025  -0.375  -5.319
   15    HB2  CYS   3           HB2      CYS   3 -10.961  -0.992  -5.704
   16    HB3  CYS   3           HB1      CYS   3  -9.824  -0.479  -6.942
   17    H    TRP   4           HN       TRP   4  -7.975   1.715  -5.845
   18    HA   TRP   4           HA       TRP   4 -10.175   3.478  -5.481
   19    HB2  TRP   4           HB2      TRP   4  -9.269   4.939  -3.831
   20    HB3  TRP   4           HB1      TRP   4  -9.013   3.324  -3.187
   21    HD1  TRP   4           HD1      TRP   4  -6.206   2.655  -4.594
   22    HE1  TRP   4           HE1      TRP   4  -4.093   3.934  -3.857
   23    HE3  TRP   4          3HE       TRP   4  -8.429   6.734  -2.495
   24    HZ2  TRP   4           HZ2      TRP   4  -3.469   6.376  -2.568
   25    HZ3  TRP   4           HZ3      TRP   4  -7.011   8.490  -1.528
   26    HH2  TRP   4          2HH       TRP   4  -4.577   8.303  -1.563
   27    H    HIS   5           HN       HIS   5  -9.703   5.485  -6.667
   28    HA   HIS   5           HA       HIS   5  -8.805   6.612  -8.476
   29    HB2  HIS   5           HB2      HIS   5  -6.316   5.477  -7.206
   30    HB3  HIS   5           HB1      HIS   5  -6.205   6.455  -8.645
   31    HD1  HIS   5           HD1      HIS   5  -5.213   8.611  -7.817
   32    HD2  HIS   5           HD2      HIS   5  -8.192   7.192  -5.299
   33    HE1  HIS   5           HE1      HIS   5  -5.414  10.290  -5.967
   34    H    HIS   6           HN       HIS   6  -9.605   3.698  -8.735
   35    HA   HIS   6           HA       HIS   6  -9.609   2.000 -10.200
   36    HB2  HIS   6           HB2      HIS   6  -8.368   4.092 -11.991
   37    HB3  HIS   6           HB1      HIS   6  -8.659   2.452 -12.557
   38    HD1  HIS   6           HD1      HIS   6 -10.351   5.692 -12.059
   39    HD2  HIS   6           HD2      HIS   6 -11.394   1.705 -12.561
   40    HE1  HIS   6           HE1      HIS   6 -12.794   5.685 -12.702
   41    H    SER   7           HN       SER   7  -7.287   2.536  -8.392
   42    HA   SER   7           HA       SER   7  -5.355   0.764  -9.683
   43    HB2  SER   7           HB2      SER   7  -4.967   2.725  -7.400
   44    HB3  SER   7           HB1      SER   7  -3.705   1.784  -8.199
   45    HG   SER   7           HG       SER   7  -5.323   3.314  -9.805
   46    H    CYS   8           HN       CYS   8  -5.278  -1.220  -8.768
   47    HA   CYS   8           HA       CYS   8  -6.562  -1.561  -6.161
   48    HB2  CYS   8           HB2      CYS   8  -6.264  -3.502  -8.449
   49    HB3  CYS   8           HB1      CYS   8  -6.870  -3.940  -6.859
   50    H    VAL   9           HN       VAL   9  -5.317  -2.093  -4.551
   51    HA   VAL   9           HA       VAL   9  -2.671  -3.086  -5.165
   52    HB   VAL   9           HB       VAL   9  -2.709  -1.178  -3.618
   53   HG11  VAL   9          HG11      VAL   9  -4.891  -1.449  -2.627
   54   HG12  VAL   9          HG12      VAL   9  -3.655  -1.329  -1.373
   55   HG13  VAL   9          3HG1      VAL   9  -4.348  -2.898  -1.782
   56   HG21  VAL   9          HG21      VAL   9  -1.383  -2.095  -1.776
   57   HG22  VAL   9          HG22      VAL   9  -0.932  -2.809  -3.329
   58   HG23  VAL   9          HG23      VAL   9  -1.932  -3.717  -2.198
   59    HA   PRO  10           HA       PRO  10  -4.123  -7.235  -4.455
   60    HB2  PRO  10           HB2      PRO  10  -1.265  -7.811  -3.973
   61    HB3  PRO  10           HB1      PRO  10  -2.367  -8.530  -5.146
   62    HG2  PRO  10           HG2      PRO  10  -0.472  -6.841  -5.911
   63    HG3  PRO  10           HG1      PRO  10  -2.076  -6.819  -6.663
   64    HD2  PRO  10           HD2      PRO  10  -0.921  -4.968  -4.619
   65    HD3  PRO  10           HD1      PRO  10  -1.947  -4.624  -6.035
   66    H    SER  11           HN       SER  11  -4.556  -8.503  -2.772
   67    HA   SER  11           HA       SER  11  -4.036  -7.638  -0.125
   68    HB2  SER  11           HB2      SER  11  -5.082 -10.314  -1.002
   69    HB3  SER  11           HB1      SER  11  -5.511  -9.361   0.420
   70    HG   SER  11           HG       SER  11  -6.981  -8.402  -0.688
   71    H    GLY  12           HN       GLY  12  -2.102  -8.085   0.850
   72    HA2  GLY  12           HA2      GLY  12  -0.614  -9.805   1.657
   73    HA3  GLY  12           HA1      GLY  12  -0.729 -10.558   0.067
   74    H    THR  13           HN       THR  13  -0.492  -7.151   0.519
   75    HA   THR  13           HA       THR  13   2.152  -7.226  -0.720
   76    HB   THR  13           HB       THR  13   0.139  -4.958  -0.658
   77    HG1  THR  13           HG1      THR  13  -0.715  -6.253  -2.094
   78   HG21  THR  13          HG21      THR  13   2.465  -4.172  -0.845
   79   HG22  THR  13          HG22      THR  13   1.606  -3.938  -2.369
   80   HG23  THR  13          HG23      THR  13   2.737  -5.278  -2.191
   81    H    CYS  14           HN       CYS  14   3.389  -7.396   1.050
   82    HA   CYS  14           HA       CYS  14   3.317  -5.188   2.985
   83    HB2  CYS  14           HB2      CYS  14   2.524  -7.339   3.971
   84    HB3  CYS  14           HB1      CYS  14   4.030  -8.092   3.482
   85    H    ALA  15           HN       ALA  15   4.993  -3.943   2.616
   86    HA   ALA  15           HA       ALA  15   7.642  -5.050   2.330
   87    HB1  ALA  15           HB1      ALA  15   6.870  -5.147   0.016
   88    HB2  ALA  15           HB2      ALA  15   8.065  -3.856   0.185
   89    HB3  ALA  15           HB3      ALA  15   6.351  -3.467   0.100
   90    H    ASP  16           HN       ASP  16   9.260  -3.184   2.267
   91    HA   ASP  16           HA       ASP  16   8.203  -1.006   3.856
   92    HB2  ASP  16           HB2      ASP  16  10.553  -0.361   4.236
   93    HB3  ASP  16           HB1      ASP  16  10.282  -2.042   4.671
   94    H    PHE  17           HN       PHE  17   7.973   0.954   3.164
   95    HA   PHE  17           HA       PHE  17   8.805   1.616   0.442
   96    HB2  PHE  17           HB2      PHE  17   6.302   2.335   1.994
   97    HB3  PHE  17           HB1      PHE  17   6.774   3.150   0.515
   98    HD1  PHE  17           HD1      PHE  17   5.963  -0.244   1.852
   99    HD2  PHE  17           HD2      PHE  17   5.991   2.357  -1.509
  100    HE1  PHE  17           HE1      PHE  17   4.694  -1.904   0.565
  101    HE2  PHE  17           HE2      PHE  17   4.730   0.700  -2.806
  102    HZ   PHE  17           HZ       PHE  17   4.077  -1.438  -1.773
  103    HA   PRO  18           HA       PRO  18  11.145   4.918   2.195
  104    HB2  PRO  18           HB2      PRO  18  10.476   7.029   0.542
  105    HB3  PRO  18           HB1      PRO  18  11.658   5.781   0.139
  106    HG2  PRO  18           HG2      PRO  18   8.781   5.989  -0.658
  107    HG3  PRO  18           HG1      PRO  18  10.181   5.502  -1.631
  108    HD2  PRO  18           HD2      PRO  18   8.489   3.695  -0.645
  109    HD3  PRO  18           HD1      PRO  18  10.233   3.371  -0.713
  110    H    TRP  19           HN       TRP  19  10.989   7.134   3.075
  111    HA   TRP  19           HA       TRP  19   8.825   7.364   4.904
  112    HB2  TRP  19           HB2      TRP  19  11.212   8.082   5.246
  113    HB3  TRP  19           HB1      TRP  19  10.910   9.408   4.134
  114    HD1  TRP  19           HD1      TRP  19   9.080  11.194   4.962
  115    HE1  TRP  19           HE1      TRP  19   8.563  12.067   7.363
  116    HE3  TRP  19          3HE       TRP  19  11.175   7.430   7.626
  117    HZ2  TRP  19           HZ2      TRP  19   9.015  11.230  10.010
  118    HZ3  TRP  19           HZ3      TRP  19  11.107   7.522  10.080
  119    HH2  TRP  19          2HH       TRP  19  10.046   9.390  11.240
  120    HA   PRO  20           HA       PRO  20   7.539   8.368   5.936
  121    HB2  PRO  20           HB2      PRO  20   4.986   9.413   6.225
  122    HB3  PRO  20           HB1      PRO  20   6.486  10.269   6.577
  123    HG2  PRO  20           HG2      PRO  20   4.621  10.901   4.541
  124    HG3  PRO  20           HG1      PRO  20   6.232  11.598   4.758
  125    HD2  PRO  20           HD2      PRO  20   5.351   9.383   2.956
  126    HD3  PRO  20           HD1      PRO  20   6.586  10.637   2.687
  127    H    LEU  21           HN       LEU  21   6.624   6.784   3.410
  128    HA   LEU  21           HA       LEU  21   4.049   5.795   4.039
  129    HB2  LEU  21           HB2      LEU  21   6.165   4.639   2.217
  130    HB3  LEU  21           HB1      LEU  21   4.568   3.956   2.398
  131    HG   LEU  21           HG       LEU  21   3.690   6.206   1.546
  132   HD11  LEU  21          HD11      LEU  21   5.684   7.540   1.817
  133   HD12  LEU  21          HD12      LEU  21   5.182   7.505   0.127
  134   HD13  LEU  21          HD13      LEU  21   6.545   6.523   0.663
  135   HD21  LEU  21          HD21      LEU  21   3.641   4.172   0.224
  136   HD22  LEU  21          HD22      LEU  21   5.297   4.466  -0.313
  137   HD23  LEU  21          HD23      LEU  21   4.008   5.570  -0.783
  138    H    GLY  22           HN       GLY  22   7.299   4.301   4.363
  139    HA2  GLY  22           HA2      GLY  22   8.058   3.078   6.143
  140    HA3  GLY  22           HA1      GLY  22   6.474   3.219   6.903
  141    H    HIS  23           HN       HIS  23   6.141   1.099   7.389
  142    HA   HIS  23           HA       HIS  23   6.476  -0.790   5.215
  143    HB2  HIS  23           HB2      HIS  23   6.014  -1.270   8.165
  144    HB3  HIS  23           HB1      HIS  23   5.967  -2.558   6.967
  145    HD1  HIS  23           HD1      HIS  23   8.200  -3.756   6.696
  146    HD2  HIS  23           HD2      HIS  23   8.608   0.183   7.957
  147    HE1  HIS  23           HE1      HIS  23  10.638  -3.417   7.057
  148    H    GLN  24           HN       GLN  24   4.987  -0.737   3.930
  149    HA   GLN  24           HA       GLN  24   2.232  -0.435   4.792
  150    HB2  GLN  24           HB2      GLN  24   3.456  -0.369   2.035
  151    HB3  GLN  24           HB1      GLN  24   1.747  -0.143   2.380
  152    HG2  GLN  24           HG2      GLN  24   3.955   1.625   3.413
  153    HG3  GLN  24           HG1      GLN  24   2.949   1.953   2.001
  154   HE21  GLN  24          1HE2      GLN  24   0.871   2.611   2.274
  155   HE22  GLN  24          2HE2      GLN  24   0.214   3.090   3.792
  156    H    CYS  25           HN       CYS  25   1.178  -2.168   5.171
  157    HA   CYS  25           HA       CYS  25   1.644  -4.540   3.537
  158    HB2  CYS  25           HB2      CYS  25   1.377  -4.564   6.556
  159    HB3  CYS  25           HB1      CYS  25   1.551  -5.978   5.521
  160    H    PHE  26           HN       PHE  26  -0.073  -4.711   2.470
  161    HA   PHE  26           HA       PHE  26  -2.683  -4.082   3.680
  162    HB2  PHE  26           HB2      PHE  26  -2.026  -4.437   0.749
  163    HB3  PHE  26           HB1      PHE  26  -3.484  -3.739   1.435
  164    HD1  PHE  26           HD1      PHE  26  -0.114  -3.130   0.317
  165    HD2  PHE  26           HD2      PHE  26  -3.328  -1.512   2.584
  166    HE1  PHE  26           HE1      PHE  26   0.898  -0.909   0.149
  167    HE2  PHE  26           HE2      PHE  26  -2.311   0.721   2.413
  168    HZ   PHE  26           HZ       PHE  26  -0.207   1.024   1.201
  169    HA   PRO  27           HA       PRO  27  -2.902  -8.622   3.267
  170    HB2  PRO  27           HB2      PRO  27  -4.365  -9.127   5.449
  171    HB3  PRO  27           HB1      PRO  27  -2.644  -8.745   5.547
  172    HG2  PRO  27           HG2      PRO  27  -4.999  -7.019   6.108
  173    HG3  PRO  27           HG1      PRO  27  -3.439  -7.085   6.946
  174    HD2  PRO  27           HD2      PRO  27  -4.183  -5.199   5.038
  175    HD3  PRO  27           HD1      PRO  27  -2.518  -5.558   5.528
  176    H    ASP  28           HN       ASP  28  -5.516  -6.314   3.576
  177    HA   ASP  28           HA       ASP  28  -7.451  -8.291   2.640
  178    HB2  ASP  28           HB2      ASP  28  -7.816  -5.450   3.608
  179    HB3  ASP  28           HB1      ASP  28  -9.108  -6.358   2.845
  Start of MODEL   19
    1    H1   GLY   1           HN       GLY   1  -6.193  -8.146  -1.361
    2    HA2  GLY   1           HA2      GLY   1  -5.778  -5.273  -1.036
    3    HA3  GLY   1           HA1      GLY   1  -5.353  -6.234  -2.448
    4    H    PHE   2           HN       PHE   2  -6.617  -3.964  -2.942
    5    HA   PHE   2           HA       PHE   2  -8.996  -4.669  -4.212
    6    HB2  PHE   2           HB2      PHE   2 -10.681  -3.473  -2.906
    7    HB3  PHE   2           HB1      PHE   2  -9.909  -4.652  -1.866
    8    HD1  PHE   2           HD1      PHE   2 -11.072  -1.391  -2.082
    9    HD2  PHE   2           HD2      PHE   2  -7.841  -3.639  -0.467
   10    HE1  PHE   2           HE1      PHE   2 -10.650   0.391  -0.454
   11    HE2  PHE   2           HE2      PHE   2  -7.414  -1.853   1.162
   12    HZ   PHE   2           HZ       PHE   2  -8.824   0.171   1.162
   13    H    CYS   3           HN       CYS   3 -10.202  -2.279  -4.583
   14    HA   CYS   3           HA       CYS   3  -7.987  -0.651  -5.559
   15    HB2  CYS   3           HB2      CYS   3 -10.841  -0.770  -6.550
   16    HB3  CYS   3           HB1      CYS   3  -9.524   0.157  -7.259
   17    H    TRP   4           HN       TRP   4  -7.600   1.127  -4.523
   18    HA   TRP   4           HA       TRP   4  -9.769   2.755  -3.519
   19    HB2  TRP   4           HB2      TRP   4  -8.957   2.904  -1.291
   20    HB3  TRP   4           HB1      TRP   4  -8.908   1.194  -1.693
   21    HD1  TRP   4           HD1      TRP   4  -6.005   1.078  -3.082
   22    HE1  TRP   4           HE1      TRP   4  -3.903   1.424  -1.639
   23    HE3  TRP   4          3HE       TRP   4  -8.134   3.458   0.901
   24    HZ2  TRP   4           HZ2      TRP   4  -3.243   2.567   0.860
   25    HZ3  TRP   4           HZ3      TRP   4  -6.692   4.136   2.774
   26    HH2  TRP   4          2HH       TRP   4  -4.299   3.691   2.745
   27    H    HIS   5           HN       HIS   5  -9.024   5.011  -3.298
   28    HA   HIS   5           HA       HIS   5  -7.832   6.834  -3.991
   29    HB2  HIS   5           HB2      HIS   5  -5.589   4.859  -3.586
   30    HB3  HIS   5           HB1      HIS   5  -5.245   6.476  -4.143
   31    HD1  HIS   5           HD1      HIS   5  -4.154   7.533  -2.118
   32    HD2  HIS   5           HD2      HIS   5  -7.558   5.375  -1.129
   33    HE1  HIS   5           HE1      HIS   5  -4.526   7.899   0.341
   34    H    HIS   6           HN       HIS   6  -8.899   4.830  -5.889
   35    HA   HIS   6           HA       HIS   6  -9.068   4.384  -8.100
   36    HB2  HIS   6           HB2      HIS   6  -8.884   6.866  -8.360
   37    HB3  HIS   6           HB1      HIS   6  -7.145   6.731  -8.445
   38    HD1  HIS   6           HD1      HIS   6  -6.304   6.893 -10.828
   39    HD2  HIS   6           HD2      HIS   6 -10.129   5.279 -10.592
   40    HE1  HIS   6           HE1      HIS   6  -7.056   6.571 -13.193
   41    H    SER   7           HN       SER   7  -6.752   3.376  -6.319
   42    HA   SER   7           HA       SER   7  -5.075   2.312  -8.469
   43    HB2  SER   7           HB2      SER   7  -3.854   3.869  -6.976
   44    HB3  SER   7           HB1      SER   7  -4.363   2.928  -5.580
   45    HG   SER   7           HG       SER   7  -2.802   1.921  -7.723
   46    H    CYS   8           HN       CYS   8  -4.997   0.117  -8.557
   47    HA   CYS   8           HA       CYS   8  -6.469  -1.312  -6.503
   48    HB2  CYS   8           HB2      CYS   8  -5.655  -2.158  -9.286
   49    HB3  CYS   8           HB1      CYS   8  -6.545  -3.167  -8.147
   50    H    VAL   9           HN       VAL   9  -5.396  -2.158  -4.969
   51    HA   VAL   9           HA       VAL   9  -2.622  -2.870  -5.410
   52    HB   VAL   9           HB       VAL   9  -2.939  -1.353  -3.524
   53   HG11  VAL   9          HG11      VAL   9  -5.239  -1.808  -2.948
   54   HG12  VAL   9          HG12      VAL   9  -4.209  -1.949  -1.522
   55   HG13  VAL   9          3HG1      VAL   9  -4.790  -3.400  -2.336
   56   HG21  VAL   9          HG21      VAL   9  -1.884  -2.637  -1.716
   57   HG22  VAL   9          HG22      VAL   9  -1.167  -3.004  -3.286
   58   HG23  VAL   9          HG23      VAL   9  -2.302  -4.133  -2.550
   59    HA   PRO  10           HA       PRO  10  -4.024  -7.131  -5.574
   60    HB2  PRO  10           HB2      PRO  10  -1.160  -7.764  -5.319
   61    HB3  PRO  10           HB1      PRO  10  -2.282  -8.155  -6.626
   62    HG2  PRO  10           HG2      PRO  10  -0.379  -6.313  -6.954
   63    HG3  PRO  10           HG1      PRO  10  -1.986  -6.108  -7.671
   64    HD2  PRO  10           HD2      PRO  10  -0.840  -4.873  -5.200
   65    HD3  PRO  10           HD1      PRO  10  -1.802  -4.149  -6.516
   66    H    SER  11           HN       SER  11  -4.225  -8.865  -4.203
   67    HA   SER  11           HA       SER  11  -3.903  -8.418  -1.430
   68    HB2  SER  11           HB2      SER  11  -4.643 -10.937  -2.938
   69    HB3  SER  11           HB1      SER  11  -4.906 -10.627  -1.220
   70    HG   SER  11           HG       SER  11  -6.782 -10.240  -2.508
   71    H    GLY  12           HN       GLY  12  -2.034  -8.687  -0.324
   72    HA2  GLY  12           HA2      GLY  12  -0.466 -10.334   0.474
   73    HA3  GLY  12           HA1      GLY  12  -0.220 -10.823  -1.200
   74    H    THR  13           HN       THR  13  -0.630  -7.641  -1.391
   75    HA   THR  13           HA       THR  13   2.175  -7.173  -1.715
   76    HB   THR  13           HB       THR  13  -0.098  -5.188  -1.940
   77    HG1  THR  13           HG1      THR  13  -0.603  -6.604  -3.416
   78   HG21  THR  13          HG21      THR  13   1.459  -3.997  -3.426
   79   HG22  THR  13          HG22      THR  13   2.685  -5.230  -3.137
   80   HG23  THR  13          HG23      THR  13   2.150  -4.192  -1.816
   81    H    CYS  14           HN       CYS  14   3.236  -7.013   0.138
   82    HA   CYS  14           HA       CYS  14   2.437  -4.823   1.888
   83    HB2  CYS  14           HB2      CYS  14   3.625  -7.459   2.784
   84    HB3  CYS  14           HB1      CYS  14   3.284  -6.085   3.833
   85    H    ALA  15           HN       ALA  15   3.877  -3.306   1.992
   86    HA   ALA  15           HA       ALA  15   6.688  -3.860   1.922
   87    HB1  ALA  15           HB1      ALA  15   6.151  -3.764  -0.479
   88    HB2  ALA  15           HB2      ALA  15   7.126  -2.382   0.017
   89    HB3  ALA  15           HB3      ALA  15   5.393  -2.188  -0.241
   90    H    ASP  16           HN       ASP  16   7.684  -2.349   3.159
   91    HA   ASP  16           HA       ASP  16   6.070  -0.105   4.032
   92    HB2  ASP  16           HB2      ASP  16   7.729   0.210   5.780
   93    HB3  ASP  16           HB1      ASP  16   7.245  -1.478   5.755
   94    H    PHE  17           HN       PHE  17   6.724   1.971   3.760
   95    HA   PHE  17           HA       PHE  17   8.936   2.417   1.898
   96    HB2  PHE  17           HB2      PHE  17   6.270   3.865   1.937
   97    HB3  PHE  17           HB1      PHE  17   7.585   4.137   0.788
   98    HD1  PHE  17           HD1      PHE  17   4.672   2.205   1.661
   99    HD2  PHE  17           HD2      PHE  17   8.054   2.376  -0.904
  100    HE1  PHE  17           HE1      PHE  17   3.618   0.565   0.175
  101    HE2  PHE  17           HE2      PHE  17   7.002   0.739  -2.394
  102    HZ   PHE  17           HZ       PHE  17   4.774  -0.174  -1.852
  103    HA   PRO  18           HA       PRO  18   9.646   4.209   6.041
  104    HB2  PRO  18           HB2      PRO  18  12.237   4.789   4.692
  105    HB3  PRO  18           HB1      PRO  18  11.931   4.126   6.299
  106    HG2  PRO  18           HG2      PRO  18  12.684   2.520   4.341
  107    HG3  PRO  18           HG1      PRO  18  11.418   2.013   5.474
  108    HD2  PRO  18           HD2      PRO  18  11.166   2.985   2.663
  109    HD3  PRO  18           HD1      PRO  18  10.258   1.710   3.504
  110    H    TRP  19           HN       TRP  19  11.430   6.060   3.577
  111    HA   TRP  19           HA       TRP  19  10.280   8.375   4.873
  112    HB2  TRP  19           HB2      TRP  19  12.685   8.245   5.114
  113    HB3  TRP  19           HB1      TRP  19  12.879   8.162   3.367
  114    HD1  TRP  19           HD1      TRP  19  11.344  10.643   5.929
  115    HE1  TRP  19           HE1      TRP  19  11.873  13.030   5.144
  116    HE3  TRP  19          3HE       TRP  19  13.761   9.539   1.566
  117    HZ2  TRP  19           HZ2      TRP  19  13.146  14.287   2.963
  118    HZ3  TRP  19           HZ3      TRP  19  14.602  11.395   0.184
  119    HH2  TRP  19          2HH       TRP  19  14.298  13.718   0.872
  120    HA   PRO  20           HA       PRO  20   8.828   9.400   4.899
  121    HB2  PRO  20           HB2      PRO  20   7.484  11.609   4.155
  122    HB3  PRO  20           HB1      PRO  20   9.236  11.631   4.387
  123    HG2  PRO  20           HG2      PRO  20   7.785  12.033   1.934
  124    HG3  PRO  20           HG1      PRO  20   9.536  12.042   2.183
  125    HD2  PRO  20           HD2      PRO  20   7.771   9.813   1.278
  126    HD3  PRO  20           HD1      PRO  20   9.466  10.151   0.853
  127    H    LEU  21           HN       LEU  21   7.533   7.244   3.942
  128    HA   LEU  21           HA       LEU  21   4.795   8.187   3.476
  129    HB2  LEU  21           HB2      LEU  21   6.051   5.613   2.620
  130    HB3  LEU  21           HB1      LEU  21   4.343   5.948   2.464
  131    HG   LEU  21           HG       LEU  21   5.241   6.184   0.340
  132   HD11  LEU  21          HD11      LEU  21   5.036   8.956   1.428
  133   HD12  LEU  21          HD12      LEU  21   3.730   7.949   0.803
  134   HD13  LEU  21          HD13      LEU  21   4.999   8.520  -0.281
  135   HD21  LEU  21          HD21      LEU  21   7.595   6.203   0.788
  136   HD22  LEU  21          HD22      LEU  21   7.486   7.797   1.513
  137   HD23  LEU  21          HD23      LEU  21   7.212   7.602  -0.220
  138    H    GLY  22           HN       GLY  22   5.984   4.994   4.463
  139    HA2  GLY  22           HA2      GLY  22   5.456   4.746   7.033
  140    HA3  GLY  22           HA1      GLY  22   3.821   4.852   6.379
  141    H    HIS  23           HN       HIS  23   3.401   2.687   6.998
  142    HA   HIS  23           HA       HIS  23   4.846   0.671   5.404
  143    HB2  HIS  23           HB2      HIS  23   3.490   0.386   8.097
  144    HB3  HIS  23           HB1      HIS  23   3.994  -0.987   7.131
  145    HD1  HIS  23           HD1      HIS  23   5.816  -1.885   8.704
  146    HD2  HIS  23           HD2      HIS  23   6.281   2.142   7.771
  147    HE1  HIS  23           HE1      HIS  23   8.001  -1.209   9.701
  148    H    GLN  24           HN       GLN  24   3.649  -0.451   3.904
  149    HA   GLN  24           HA       GLN  24   0.742  -0.344   4.235
  150    HB2  GLN  24           HB2      GLN  24   2.339  -0.332   1.680
  151    HB3  GLN  24           HB1      GLN  24   0.603  -0.545   1.741
  152    HG2  GLN  24           HG2      GLN  24   0.531   1.718   2.896
  153    HG3  GLN  24           HG1      GLN  24   2.220   1.881   2.407
  154   HE21  GLN  24          1HE2      GLN  24  -1.034   1.699   1.360
  155   HE22  GLN  24          2HE2      GLN  24  -0.785   2.207  -0.280
  156    H    CYS  25           HN       CYS  25  -0.108  -2.271   4.585
  157    HA   CYS  25           HA       CYS  25   0.972  -4.509   3.100
  158    HB2  CYS  25           HB2      CYS  25   2.004  -4.663   5.328
  159    HB3  CYS  25           HB1      CYS  25   0.419  -4.582   6.077
  160    H    PHE  26           HN       PHE  26  -0.551  -5.343   1.971
  161    HA   PHE  26           HA       PHE  26  -3.287  -5.263   3.021
  162    HB2  PHE  26           HB2      PHE  26  -2.366  -5.035   0.150
  163    HB3  PHE  26           HB1      PHE  26  -4.037  -5.221   0.648
  164    HD1  PHE  26           HD1      PHE  26  -1.129  -2.959   0.658
  165    HD2  PHE  26           HD2      PHE  26  -5.295  -3.373   1.421
  166    HE1  PHE  26           HE1      PHE  26  -1.347  -0.517   0.773
  167    HE2  PHE  26           HE2      PHE  26  -5.512  -0.923   1.541
  168    HZ   PHE  26           HZ       PHE  26  -3.548   0.498   1.218
  169    HA   PRO  27           HA       PRO  27  -2.366  -9.763   2.518
  170    HB2  PRO  27           HB2      PRO  27  -4.712  -9.820   4.353
  171    HB3  PRO  27           HB1      PRO  27  -3.171 -10.673   4.501
  172    HG2  PRO  27           HG2      PRO  27  -3.736  -8.606   6.087
  173    HG3  PRO  27           HG1      PRO  27  -2.099  -8.839   5.446
  174    HD2  PRO  27           HD2      PRO  27  -4.229  -6.935   4.544
  175    HD3  PRO  27           HD1      PRO  27  -2.482  -6.674   4.716
  176    H    ASP  28           HN       ASP  28  -5.256  -7.865   2.614
  177    HA   ASP  28           HA       ASP  28  -6.417  -9.357   0.379
  178    HB2  ASP  28           HB2      ASP  28  -7.772  -9.596   2.455
  179    HB3  ASP  28           HB1      ASP  28  -7.839  -7.846   2.601
  Start of MODEL   20
    1    H1   GLY   1           HN       GLY   1  -5.196  -5.586   0.585
    2    HA2  GLY   1           HA2      GLY   1  -4.693  -5.053  -1.604
    3    HA3  GLY   1           HA1      GLY   1  -5.619  -6.428  -2.182
    4    H    PHE   2           HN       PHE   2  -5.641  -3.483  -2.774
    5    HA   PHE   2           HA       PHE   2  -8.513  -3.227  -2.714
    6    HB2  PHE   2           HB2      PHE   2  -8.487  -0.958  -1.791
    7    HB3  PHE   2           HB1      PHE   2  -7.814  -2.087  -0.628
    8    HD1  PHE   2           HD1      PHE   2  -7.227   0.860  -2.644
    9    HD2  PHE   2           HD2      PHE   2  -5.345  -2.102  -0.242
   10    HE1  PHE   2           HE1      PHE   2  -5.248   2.294  -2.437
   11    HE2  PHE   2           HE2      PHE   2  -3.364  -0.674  -0.033
   12    HZ   PHE   2           HZ       PHE   2  -3.307   1.526  -1.124
   13    H    CYS   3           HN       CYS   3  -9.237  -1.817  -4.344
   14    HA   CYS   3           HA       CYS   3  -7.122  -0.717  -6.000
   15    HB2  CYS   3           HB2      CYS   3  -8.068  -2.732  -7.108
   16    HB3  CYS   3           HB1      CYS   3  -9.673  -2.013  -7.008
   17    H    TRP   4           HN       TRP   4  -7.319   1.359  -6.268
   18    HA   TRP   4           HA       TRP   4  -9.934   2.547  -6.128
   19    HB2  TRP   4           HB2      TRP   4  -9.520   3.922  -4.268
   20    HB3  TRP   4           HB1      TRP   4  -8.888   2.354  -3.782
   21    HD1  TRP   4           HD1      TRP   4  -5.923   2.689  -5.092
   22    HE1  TRP   4           HE1      TRP   4  -4.286   4.377  -4.064
   23    HE3  TRP   4          3HE       TRP   4  -9.251   5.556  -2.506
   24    HZ2  TRP   4           HZ2      TRP   4  -4.410   6.639  -2.377
   25    HZ3  TRP   4           HZ3      TRP   4  -8.402   7.452  -1.186
   26    HH2  TRP   4          2HH       TRP   4  -6.026   7.967  -1.124
   27    H    HIS   5           HN       HIS   5  -9.935   4.552  -7.230
   28    HA   HIS   5           HA       HIS   5  -9.217   6.146  -8.749
   29    HB2  HIS   5           HB2      HIS   5  -6.602   5.698  -7.282
   30    HB3  HIS   5           HB1      HIS   5  -6.797   6.935  -8.506
   31    HD1  HIS   5           HD1      HIS   5  -6.768   9.082  -7.220
   32    HD2  HIS   5           HD2      HIS   5  -9.068   6.185  -5.349
   33    HE1  HIS   5           HE1      HIS   5  -7.701  10.164  -5.138
   34    H    HIS   6           HN       HIS   6  -9.091   3.288  -9.314
   35    HA   HIS   6           HA       HIS   6  -8.657   1.865 -10.954
   36    HB2  HIS   6           HB2      HIS   6  -7.371   4.231 -12.350
   37    HB3  HIS   6           HB1      HIS   6  -7.564   2.648 -13.097
   38    HD1  HIS   6           HD1      HIS   6  -9.915   2.034 -13.941
   39    HD2  HIS   6           HD2      HIS   6  -9.740   5.694 -11.987
   40    HE1  HIS   6           HE1      HIS   6 -12.140   3.163 -14.363
   41    H    SER   7           HN       SER   7  -6.583   2.779  -8.810
   42    HA   SER   7           HA       SER   7  -4.293   1.373  -9.928
   43    HB2  SER   7           HB2      SER   7  -4.549   2.957  -7.352
   44    HB3  SER   7           HB1      SER   7  -3.055   2.342  -8.060
   45    HG   SER   7           HG       SER   7  -3.950   3.694  -9.973
   46    H    CYS   8           HN       CYS   8  -4.684  -0.748  -9.668
   47    HA   CYS   8           HA       CYS   8  -6.025  -1.669  -7.272
   48    HB2  CYS   8           HB2      CYS   8  -5.204  -3.236  -9.719
   49    HB3  CYS   8           HB1      CYS   8  -6.198  -3.819  -8.396
   50    H    VAL   9           HN       VAL   9  -4.872  -2.111  -5.579
   51    HA   VAL   9           HA       VAL   9  -2.075  -2.814  -5.819
   52    HB   VAL   9           HB       VAL   9  -3.813  -2.142  -3.409
   53   HG11  VAL   9          HG11      VAL   9  -1.912  -3.534  -2.788
   54   HG12  VAL   9          HG12      VAL   9  -1.722  -1.891  -2.176
   55   HG13  VAL   9          3HG1      VAL   9  -0.819  -2.413  -3.598
   56   HG21  VAL   9          HG21      VAL   9  -2.651   0.017  -3.400
   57   HG22  VAL   9          HG22      VAL   9  -3.559  -0.231  -4.892
   58   HG23  VAL   9          HG23      VAL   9  -1.808  -0.435  -4.881
   59    HA   PRO  10           HA       PRO  10  -3.616  -7.008  -5.483
   60    HB2  PRO  10           HB2      PRO  10  -1.244  -8.278  -5.699
   61    HB3  PRO  10           HB1      PRO  10  -2.048  -7.528  -7.083
   62    HG2  PRO  10           HG2      PRO  10   0.192  -6.477  -5.400
   63    HG3  PRO  10           HG1      PRO  10   0.005  -6.434  -7.161
   64    HD2  PRO  10           HD2      PRO  10  -0.540  -4.316  -5.555
   65    HD3  PRO  10           HD1      PRO  10  -1.384  -4.602  -7.091
   66    H    SER  11           HN       SER  11  -3.902  -8.455  -3.888
   67    HA   SER  11           HA       SER  11  -3.125  -7.899  -1.261
   68    HB2  SER  11           HB2      SER  11  -4.158 -10.190  -0.883
   69    HB3  SER  11           HB1      SER  11  -5.193  -9.000  -1.676
   70    HG   SER  11           HG       SER  11  -3.584 -10.752  -3.179
   71    H    GLY  12           HN       GLY  12  -0.950  -8.010  -0.763
   72    HA2  GLY  12           HA2      GLY  12   0.435 -10.095  -0.059
   73    HA3  GLY  12           HA1      GLY  12   0.566 -10.266  -1.805
   74    H    THR  13           HN       THR  13   0.495  -7.245  -1.982
   75    HA   THR  13           HA       THR  13   3.321  -7.016  -1.767
   76    HB   THR  13           HB       THR  13   2.267  -6.007  -3.724
   77    HG1  THR  13           HG1      THR  13   2.981  -3.661  -3.101
   78   HG21  THR  13          HG21      THR  13   0.905  -4.126  -1.796
   79   HG22  THR  13          HG22      THR  13   0.113  -5.375  -2.755
   80   HG23  THR  13          HG23      THR  13   0.870  -3.998  -3.554
   81    H    CYS  14           HN       CYS  14   4.334  -6.487  -0.110
   82    HA   CYS  14           HA       CYS  14   3.233  -4.566   1.774
   83    HB2  CYS  14           HB2      CYS  14   4.670  -7.139   2.521
   84    HB3  CYS  14           HB1      CYS  14   4.084  -5.924   3.654
   85    H    ALA  15           HN       ALA  15   4.502  -2.887   1.567
   86    HA   ALA  15           HA       ALA  15   7.382  -3.303   1.338
   87    HB1  ALA  15           HB1      ALA  15   7.534  -1.735  -0.503
   88    HB2  ALA  15           HB2      ALA  15   5.784  -1.529  -0.495
   89    HB3  ALA  15           HB3      ALA  15   6.481  -3.084  -0.940
   90    H    ASP  16           HN       ASP  16   8.536  -1.219   1.581
   91    HA   ASP  16           HA       ASP  16   7.211   0.348   3.615
   92    HB2  ASP  16           HB2      ASP  16   9.474   1.241   4.129
   93    HB3  ASP  16           HB1      ASP  16   9.383  -0.504   4.294
   94    H    PHE  17           HN       PHE  17   6.548   2.222   3.320
   95    HA   PHE  17           HA       PHE  17   7.081   3.579   0.780
   96    HB2  PHE  17           HB2      PHE  17   4.691   3.673   2.657
   97    HB3  PHE  17           HB1      PHE  17   4.871   4.741   1.275
   98    HD1  PHE  17           HD1      PHE  17   4.524   1.185   2.263
   99    HD2  PHE  17           HD2      PHE  17   4.233   4.026  -0.890
  100    HE1  PHE  17           HE1      PHE  17   3.460  -0.510   0.840
  101    HE2  PHE  17           HE2      PHE  17   3.167   2.324  -2.312
  102    HZ   PHE  17           HZ       PHE  17   2.782   0.064  -1.458
  103    HA   PRO  18           HA       PRO  18   9.262   7.068   2.339
  104    HB2  PRO  18           HB2      PRO  18   7.063   8.938   2.169
  105    HB3  PRO  18           HB1      PRO  18   8.506   8.834   1.161
  106    HG2  PRO  18           HG2      PRO  18   5.807   7.752   0.682
  107    HG3  PRO  18           HG1      PRO  18   7.104   8.095  -0.472
  108    HD2  PRO  18           HD2      PRO  18   6.399   5.585   0.121
  109    HD3  PRO  18           HD1      PRO  18   8.096   6.020  -0.162
  110    H    TRP  19           HN       TRP  19   9.765   7.282   4.352
  111    HA   TRP  19           HA       TRP  19   8.243   6.833   6.652
  112    HB2  TRP  19           HB2      TRP  19  10.796   7.017   6.301
  113    HB3  TRP  19           HB1      TRP  19  10.563   8.746   6.510
  114    HD1  TRP  19           HD1      TRP  19   9.789   9.554   8.893
  115    HE1  TRP  19           HE1      TRP  19  10.049   8.466  11.266
  116    HE3  TRP  19          3HE       TRP  19  10.793   4.826   7.452
  117    HZ2  TRP  19           HZ2      TRP  19  10.598   5.908  12.304
  118    HZ3  TRP  19           HZ3      TRP  19  11.168   3.087   9.164
  119    HH2  TRP  19          2HH       TRP  19  11.073   3.628  11.540
  120    HA   PRO  20           HA       PRO  20   7.796   7.363   8.643
  121    HB2  PRO  20           HB2      PRO  20   5.836   7.946  10.281
  122    HB3  PRO  20           HB1      PRO  20   7.238   9.019  10.152
  123    HG2  PRO  20           HG2      PRO  20   4.510   9.320   8.976
  124    HG3  PRO  20           HG1      PRO  20   5.546  10.554   9.710
  125    HD2  PRO  20           HD2      PRO  20   5.289  10.034   6.964
  126    HD3  PRO  20           HD1      PRO  20   6.589  10.972   7.723
  127    H    LEU  21           HN       LEU  21   5.843   7.264   6.069
  128    HA   LEU  21           HA       LEU  21   3.587   5.795   6.875
  129    HB2  LEU  21           HB2      LEU  21   5.141   5.580   4.285
  130    HB3  LEU  21           HB1      LEU  21   3.565   4.871   4.557
  131    HG   LEU  21           HG       LEU  21   4.153   7.837   4.572
  132   HD11  LEU  21          HD11      LEU  21   4.406   6.888   2.350
  133   HD12  LEU  21          HD12      LEU  21   2.944   7.870   2.445
  134   HD13  LEU  21          HD13      LEU  21   2.830   6.111   2.487
  135   HD21  LEU  21          HD21      LEU  21   2.263   7.247   5.998
  136   HD22  LEU  21          HD22      LEU  21   1.542   6.327   4.678
  137   HD23  LEU  21          HD23      LEU  21   1.712   8.076   4.543
  138    H    GLY  22           HN       GLY  22   6.705   4.606   5.660
  139    HA2  GLY  22           HA2      GLY  22   7.967   2.868   6.461
  140    HA3  GLY  22           HA1      GLY  22   6.775   2.648   7.729
  141    H    HIS  23           HN       HIS  23   6.746   0.470   7.540
  142    HA   HIS  23           HA       HIS  23   6.349  -0.808   5.022
  143    HB2  HIS  23           HB2      HIS  23   7.669  -1.870   6.805
  144    HB3  HIS  23           HB1      HIS  23   6.230  -1.958   7.815
  145    HD1  HIS  23           HD1      HIS  23   4.948  -4.115   7.631
  146    HD2  HIS  23           HD2      HIS  23   7.391  -3.421   4.344
  147    HE1  HIS  23           HE1      HIS  23   4.810  -6.188   6.215
  148    H    GLN  24           HN       GLN  24   4.551  -0.748   4.048
  149    HA   GLN  24           HA       GLN  24   2.060  -0.965   5.557
  150    HB2  GLN  24           HB2      GLN  24   2.553   0.100   2.774
  151    HB3  GLN  24           HB1      GLN  24   0.978  -0.054   3.535
  152    HG2  GLN  24           HG2      GLN  24   3.223   1.699   4.506
  153    HG3  GLN  24           HG1      GLN  24   1.810   2.212   3.580
  154   HE21  GLN  24          1HE2      GLN  24   2.785   2.887   6.292
  155   HE22  GLN  24          2HE2      GLN  24   1.432   2.661   7.313
  156    H    CYS  25           HN       CYS  25   1.409  -2.914   5.557
  157    HA   CYS  25           HA       CYS  25   2.099  -4.676   3.337
  158    HB2  CYS  25           HB2      CYS  25   2.794  -5.319   5.664
  159    HB3  CYS  25           HB1      CYS  25   1.095  -5.399   6.096
  160    H    PHE  26           HN       PHE  26   0.534  -5.134   1.930
  161    HA   PHE  26           HA       PHE  26  -2.217  -4.713   2.832
  162    HB2  PHE  26           HB2      PHE  26  -1.131  -4.469   0.015
  163    HB3  PHE  26           HB1      PHE  26  -2.786  -4.165   0.513
  164    HD1  PHE  26           HD1      PHE  26   0.443  -2.766   0.002
  165    HD2  PHE  26           HD2      PHE  26  -3.177  -2.235   2.169
  166    HE1  PHE  26           HE1      PHE  26   1.018  -0.403   0.374
  167    HE2  PHE  26           HE2      PHE  26  -2.612   0.133   2.542
  168    HZ   PHE  26           HZ       PHE  26  -0.512   1.051   1.643
  169    HA   PRO  27           HA       PRO  27  -2.004  -9.176   1.701
  170    HB2  PRO  27           HB2      PRO  27  -3.493  -9.716   4.120
  171    HB3  PRO  27           HB1      PRO  27  -1.841 -10.193   3.728
  172    HG2  PRO  27           HG2      PRO  27  -2.451  -8.393   5.685
  173    HG3  PRO  27           HG1      PRO  27  -0.925  -8.373   4.786
  174    HD2  PRO  27           HD2      PRO  27  -3.394  -6.736   4.360
  175    HD3  PRO  27           HD1      PRO  27  -1.691  -6.215   4.362
  176    H    ASP  28           HN       ASP  28  -4.362  -6.902   2.408
  177    HA   ASP  28           HA       ASP  28  -6.620  -8.615   1.743
  178    HB2  ASP  28           HB2      ASP  28  -6.528  -5.677   2.477
  179    HB3  ASP  28           HB1      ASP  28  -7.998  -6.568   2.126