*HEADER    TOXIN                                   16-JUN-16   5LBJ              
*TITLE     SOLUTION STRUCTURE OF THE BACTERIAL TOXIN LDRD IN TETRAFLUORETHANOL   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SMALL TOXIC POLYPEPTIDE LDRD;                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: TOXIC POLYPEPTIDE,SMALL;                                    
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
*SOURCE   4 ORGANISM_TAXID: 562                                                  
*KEYWDS    HELIX BACTERIAL TOXIN TA TYPE I, TOXIN                                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    N.H.MEYER                                                             
*REVDAT   1   02-AUG-17 5LBJ    0                                                
# Restraints file 1: unambig.tbl
assign (resid 2     and name HA   ) (resid 3     and name HN   )    2.84    2.84    0.00
assign (resid 2     and name HA   ) (resid 4     and name HN   )    4.31    4.31    0.00
assign (resid 8     and name HA   ) (resid 11    and name HN   )    4.10    4.10    0.00
assign (resid 8     and name HA   ) (resid 11    and name HD1  )    4.22    4.22    0.00
assign (resid 2     and name HB   ) (resid 3     and name HN   )    3.59    3.59    0.00
assign (resid 2     and name HB   ) (resid 5     and name HN   )    4.39    4.39    0.00
assign (resid 30    and name HA   ) (resid 30    and name HD1  )    3.84    3.84    0.00
assign (resid 2     and name HB   ) (resid 4     and name HN   )    3.41    3.41    0.00
assign (resid 1     and name HA   ) (resid 2     and name HN   )    2.99    2.99    0.00
assign (resid 3     and name HA   ) (resid 7     and name HN   )    4.44    4.44    0.00
assign (resid 3     and name HA   ) (resid 3     and name HE*  )    4.26    4.26    0.00
assign (resid 3     and name HA   ) (resid 6     and name HN   )    3.83    3.83    0.00
assign (resid 3     and name HA   ) (resid 3     and name HD*  )    3.64    3.64    0.00
assign (resid 11    and name HA   ) (resid 11    and name HE3  )    3.45    3.45    0.00
assign (resid 11    and name HA   ) (resid 11    and name HD1  )    4.24    4.24    0.00
assign (resid 10    and name HD*  ) (resid 11    and name HA   )    4.22    4.22    0.00
assign (resid 10    and name HA   ) (resid 13    and name HN   )    3.97    3.97    0.00
assign (resid 10    and name HA   ) (resid 10    and name HD*  )    3.54    3.54    0.00
assign (resid 17    and name HA   ) (resid 21    and name HN   )    4.50    4.50    0.00
assign (resid 15    and name HA   ) (resid 18    and name HN   )    4.19    4.19    0.00
assign (resid 12    and name HA   ) (resid 15    and name HN   )    3.95    3.95    0.00
assign (resid 16    and name HA   ) (resid 20    and name HN   )    4.33    4.33    0.00
assign (resid 16    and name HA   ) (resid 19    and name HN   )    4.22    4.22    0.00
assign (resid 25    and name HB*  ) (resid 29    and name HD21 )    5.27    5.27    0.00
assign (resid 20    and name HA   ) (resid 24    and name HN   )    4.36    4.36    0.00
assign (resid 19    and name HA   ) (resid 23    and name HN   )    4.48    4.48    0.00
assign (resid 30    and name HN   ) (resid 30    and name HB2  )    3.82    3.82    0.00
assign (resid 30    and name HB2  ) (resid 30    and name HE3  )    4.08    4.08    0.00
assign (resid 30    and name HB1  ) (resid 30    and name HE3  )    4.08    4.08    0.00
assign (resid 11    and name HN   ) (resid 11    and name HB1  )    3.48    3.48    0.00
assign (resid 11    and name HB1  ) (resid 11    and name HE3  )    3.96    3.96    0.00
assign (resid 11    and name HB1  ) (resid 12    and name HN   )    3.81    3.81    0.00
assign (resid 12    and name HB*  ) (resid 13    and name HN   )    3.66    3.66    0.00
assign (resid 12    and name HN   ) (resid 12    and name HB*  )    3.15    3.15    0.00
assign (resid 11    and name HB2  ) (resid 12    and name HD1  )    3.74    3.74    0.00
assign (resid 11    and name HN   ) (resid 11    and name HB2  )    3.33    3.33    0.00
assign (resid 11    and name HB2  ) (resid 11    and name HD1  )    3.64    3.64    0.00
assign (resid 10    and name HB2  ) (resid 11    and name HN   )    4.03    4.03    0.00
assign (resid 10    and name HB1  ) (resid 11    and name HN   )    4.03    4.03    0.00
assign (resid 13    and name HN   ) (resid 13    and name HB2  )    3.49    3.49    0.00
assign (resid 13    and name HB2  ) (resid 14    and name HN   )    4.03    4.03    0.00
assign (resid 3     and name HN   ) (resid 3     and name HB2  )    3.33    3.33    0.00
assign (resid 3     and name HB2  ) (resid 4     and name HN   )    4.02    4.02    0.00
assign (resid 29    and name HB2  ) (resid 30    and name HN   )    4.50    4.50    0.00
assign (resid 29    and name HN   ) (resid 29    and name HB2  )    3.98    3.98    0.00
assign (resid 32    and name HN   ) (resid 32    and name HB2  )    4.03    4.03    0.00
assign (resid 13    and name HN   ) (resid 13    and name HB1  )    3.79    3.79    0.00
assign (resid 26    and name HN   ) (resid 26    and name HG2  )    3.96    3.96    0.00
assign (resid 32    and name HN   ) (resid 32    and name HB1  )    4.03    4.03    0.00
assign (resid 8     and name HN   ) (resid 8     and name HG2  )    3.93    3.93    0.00
assign (resid 29    and name HB1  ) (resid 30    and name HN   )    4.50    4.50    0.00
assign (resid 29    and name HN   ) (resid 29    and name HB1  )    3.98    3.98    0.00
assign (resid 8     and name HN   ) (resid 8     and name HG1  )    3.93    3.93    0.00
assign (resid 26    and name HN   ) (resid 26    and name HG1  )    3.96    3.96    0.00
assign (resid 26    and name HN   ) (resid 26    and name HB2  )    3.57    3.57    0.00
assign (resid 26    and name HB2  ) (resid 27    and name HN   )    3.96    3.96    0.00
assign (resid 5     and name HN   ) (resid 5     and name HG1  )    3.96    3.96    0.00
assign (resid 8     and name HB2  ) (resid 9     and name HN   )    3.88    3.88    0.00
assign (resid 8     and name HN   ) (resid 8     and name HB2  )    3.31    3.31    0.00
assign (resid 18    and name HB   ) (resid 19    and name HN   )    3.53    3.53    0.00
assign (resid 18    and name HN   ) (resid 18    and name HB   )    3.27    3.27    0.00
assign (resid 2     and name HN   ) (resid 5     and name HB2  )    3.64    3.64    0.00
assign (resid 5     and name HN   ) (resid 5     and name HB2  )    3.44    3.44    0.00
assign (resid 5     and name HB2  ) (resid 6     and name HN   )    3.94    3.94    0.00
assign (resid 28    and name HN   ) (resid 28    and name HB   )    3.30    3.30    0.00
assign (resid 1     and name HB*  ) (resid 2     and name HN   )    3.45    3.45    0.00
assign (resid 5     and name HB1  ) (resid 6     and name HN   )    3.99    3.99    0.00
assign (resid 5     and name HN   ) (resid 5     and name HB1  )    3.71    3.71    0.00
assign (resid 8     and name HB1  ) (resid 9     and name HN   )    3.91    3.91    0.00
assign (resid 26    and name HN   ) (resid 26    and name HB1  )    4.18    4.18    0.00
assign (resid 22    and name HB   ) (resid 23    and name HN   )    3.57    3.57    0.00
assign (resid 22    and name HN   ) (resid 22    and name HB   )    3.22    3.22    0.00
assign (resid 27    and name HN   ) (resid 27    and name HB   )    3.48    3.48    0.00
assign (resid 27    and name HB   ) (resid 28    and name HN   )    3.60    3.60    0.00
assign (resid 17    and name HG1  ) (resid 18    and name HN   )    4.47    4.47    0.00
assign (resid 30    and name HZ3  ) (resid 31    and name HG   )    4.58    4.58    0.00
assign (resid 30    and name HE3  ) (resid 31    and name HG   )    4.69    4.69    0.00
assign (resid 8     and name HE*  ) (resid 12    and name HE1  )    4.51    4.51    0.00
assign (resid 31    and name HN   ) (resid 31    and name HB*  )    3.80    3.80    0.00
assign (resid 19    and name HB   ) (resid 20    and name HN   )    3.47    3.47    0.00
assign (resid 22    and name HN   ) (resid 22    and name HG1* )    3.48    3.48    0.00
assign (resid 19    and name HN   ) (resid 19    and name HB   )    3.32    3.32    0.00
assign (resid 17    and name HG2  ) (resid 18    and name HN   )    4.42    4.42    0.00
assign (resid 23    and name HB*  ) (resid 24    and name HN   )    3.61    3.61    0.00
assign (resid 33    and name HD*  ) (resid 34    and name HN   )    4.21    4.21    0.00
assign (resid 23    and name HN   ) (resid 23    and name HB*  )    3.15    3.15    0.00
assign (resid 27    and name HN   ) (resid 27    and name HG1* )    3.43    3.43    0.00
assign (resid 33    and name HN   ) (resid 33    and name HB*  )    3.79    3.79    0.00
assign (resid 17    and name HB2  ) (resid 18    and name HN   )    4.18    4.18    0.00
assign (resid 6     and name HB2  ) (resid 7     and name HN   )    4.10    4.10    0.00
assign (resid 6     and name HN   ) (resid 6     and name HB2  )    3.22    3.22    0.00
assign (resid 34    and name HN   ) (resid 34    and name HB2  )    3.80    3.80    0.00
assign (resid 6     and name HB1  ) (resid 7     and name HN   )    3.92    3.92    0.00
assign (resid 6     and name HN   ) (resid 6     and name HG   )    4.67    4.67    0.00
assign (resid 14    and name HN   ) (resid 14    and name HB1  )    3.32    3.32    0.00
assign (resid 14    and name HB1  ) (resid 15    and name HN   )    3.92    3.92    0.00
assign (resid 35    and name HN   ) (resid 35    and name HD*  )    4.38    4.38    0.00
assign (resid 23    and name HN   ) (resid 23    and name HG   )    4.40    4.40    0.00
assign (resid 23    and name HG   ) (resid 24    and name HN   )    3.82    3.82    0.00
assign (resid 9     and name HB*  ) (resid 10    and name HN   )    3.10    3.10    0.00
assign (resid 9     and name HB*  ) (resid 13    and name HN   )    4.94    4.94    0.00
assign (resid 13    and name HN   ) (resid 14    and name HG   )    5.40    5.40    0.00
assign (resid 14    and name HN   ) (resid 14    and name HG   )    3.48    3.48    0.00
assign (resid 9     and name HN   ) (resid 9     and name HB*  )    2.77    2.77    0.00
assign (resid 23    and name HN   ) (resid 24    and name HB*  )    4.27    4.27    0.00
assign (resid 24    and name HN   ) (resid 24    and name HB*  )    2.77    2.77    0.00
assign (resid 22    and name HN   ) (resid 24    and name HB*  )    5.29    5.29    0.00
assign (resid 24    and name HB*  ) (resid 27    and name HN   )    5.50    5.50    0.00
assign (resid 24    and name HB*  ) (resid 25    and name HN   )    3.22    3.22    0.00
assign (resid 14    and name HG   ) (resid 15    and name HN   )    4.27    4.27    0.00
assign (resid 34    and name HN   ) (resid 34    and name HG*  )    3.82    3.82    0.00
assign (resid 33    and name HG*  ) (resid 33    and name HZ*  )    4.12    4.12    0.00
assign (resid 20    and name HB*  ) (resid 24    and name HN   )    4.80    4.80    0.00
assign (resid 20    and name HN   ) (resid 20    and name HB*  )    2.78    2.78    0.00
assign (resid 19    and name HN   ) (resid 20    and name HB*  )    4.27    4.27    0.00
assign (resid 20    and name HB*  ) (resid 21    and name HN   )    3.27    3.27    0.00
assign (resid 16    and name HB*  ) (resid 20    and name HN   )    5.03    5.03    0.00
assign (resid 16    and name HN   ) (resid 16    and name HB*  )    2.77    2.77    0.00
assign (resid 16    and name HB*  ) (resid 18    and name HN   )    4.34    4.34    0.00
assign (resid 35    and name HN   ) (resid 35    and name HG*  )    3.82    3.82    0.00
assign (resid 3     and name HN   ) (resid 4     and name HB*  )    4.41    4.41    0.00
assign (resid 4     and name HB*  ) (resid 5     and name HN   )    3.28    3.28    0.00
assign (resid 4     and name HN   ) (resid 4     and name HB*  )    2.73    2.73    0.00
assign (resid 2     and name HG2* ) (resid 3     and name HN   )    3.89    3.89    0.00
assign (resid 2     and name HG2* ) (resid 5     and name HN   )    4.16    4.16    0.00
assign (resid 2     and name HG2* ) (resid 4     and name HN   )    4.19    4.19    0.00
assign (resid 19    and name HN   ) (resid 19    and name HG1* )    3.87    3.87    0.00
assign (resid 14    and name HN   ) (resid 15    and name HB*  )    4.23    4.23    0.00
assign (resid 15    and name HN   ) (resid 15    and name HB*  )    2.80    2.80    0.00
assign (resid 11    and name HE3  ) (resid 15    and name HB*  )    4.27    4.27    0.00
assign (resid 12    and name HD1  ) (resid 15    and name HB*  )    4.32    4.32    0.00
assign (resid 28    and name HN   ) (resid 28    and name HG1* )    3.78    3.78    0.00
assign (resid 28    and name HG1* ) (resid 29    and name HN   )    4.14    4.14    0.00
assign (resid 18    and name HG2* ) (resid 19    and name HN   )    3.90    3.90    0.00
assign (resid 18    and name HN   ) (resid 18    and name HG2* )    3.05    3.05    0.00
assign (resid 27    and name HN   ) (resid 27    and name HG2* )    3.78    3.78    0.00
assign (resid 27    and name HG2* ) (resid 30    and name HE3  )    4.29    4.29    0.00
assign (resid 27    and name HG2* ) (resid 31    and name HN   )    4.41    4.41    0.00
assign (resid 27    and name HG2* ) (resid 28    and name HN   )    3.76    3.76    0.00
assign (resid 27    and name HG2* ) (resid 30    and name HZ3  )    4.29    4.29    0.00
assign (resid 18    and name HG1* ) (resid 19    and name HN   )    3.72    3.72    0.00
assign (resid 18    and name HN   ) (resid 18    and name HG1* )    3.76    3.76    0.00
assign (resid 28    and name HN   ) (resid 28    and name HG2* )    3.78    3.78    0.00
assign (resid 28    and name HG2* ) (resid 29    and name HN   )    4.14    4.14    0.00
assign (resid 19    and name HG2* ) (resid 20    and name HN   )    4.28    4.28    0.00
assign (resid 19    and name HN   ) (resid 19    and name HG2* )    3.93    3.93    0.00
assign (resid 19    and name HG2* ) (resid 23    and name HN   )    4.07    4.07    0.00
assign (resid 22    and name HG2* ) (resid 23    and name HN   )    4.32    4.32    0.00
assign (resid 22    and name HN   ) (resid 22    and name HG2* )    3.82    3.82    0.00
assign (resid 22    and name HG2* ) (resid 26    and name HN   )    4.82    4.82    0.00
assign (resid 6     and name HN   ) (resid 6     and name HD1* )    4.33    4.33    0.00
assign (resid 3     and name HD*  ) (resid 6     and name HD2* )    4.88    4.88    0.00
assign (resid 23    and name HN   ) (resid 23    and name HD1* )    5.04    5.04    0.00
assign (resid 23    and name HN   ) (resid 23    and name HD2* )    5.04    5.04    0.00
assign (resid 22    and name HN   ) (resid 22    and name HD1* )    3.65    3.65    0.00
assign (resid 27    and name HN   ) (resid 27    and name HD1* )    4.08    4.08    0.00
assign (resid 19    and name HN   ) (resid 19    and name HD1* )    4.01    4.01    0.00
assign (resid 14    and name HN   ) (resid 14    and name HD2* )    3.61    3.61    0.00
assign (resid 14    and name HD1* ) (resid 15    and name HN   )    4.34    4.34    0.00
assign (resid 14    and name HD2* ) (resid 15    and name HN   )    5.00    5.00    0.00
assign (resid 11    and name HE3  ) (resid 14    and name HD1* )    4.80    4.80    0.00
assign (resid 11    and name HE3  ) (resid 14    and name HD2* )    4.99    4.99    0.00
assign (resid 10    and name HZ   ) (resid 14    and name HD2* )    3.75    3.75    0.00
assign (resid 10    and name HE*  ) (resid 14    and name HD2* )    3.46    3.46    0.00
assign (resid 10    and name HD*  ) (resid 14    and name HD2* )    3.66    3.66    0.00
assign (resid 30    and name HN   ) (resid 31    and name HN   )    3.74    3.74    0.00
assign (resid 30    and name HE3  ) (resid 31    and name HN   )    4.47    4.47    0.00
assign (resid 27    and name HN   ) (resid 28    and name HN   )    3.43    3.43    0.00
assign (resid 23    and name HN   ) (resid 24    and name HN   )    3.39    3.39    0.00
assign (resid 22    and name HN   ) (resid 23    and name HN   )    3.37    3.37    0.00
assign (resid 23    and name HN   ) (resid 25    and name HN   )    4.51    4.51    0.00
assign (resid 10    and name HN   ) (resid 10    and name HD*  )    4.34    4.34    0.00
assign (resid 10    and name HN   ) (resid 11    and name HN   )    3.30    3.30    0.00
assign (resid 20    and name HN   ) (resid 23    and name HN   )    4.99    4.99    0.00
assign (resid 20    and name HN   ) (resid 21    and name HN   )    3.42    3.42    0.00
assign (resid 18    and name HN   ) (resid 20    and name HN   )    4.47    4.47    0.00
assign (resid 22    and name HN   ) (resid 24    and name HN   )    4.25    4.25    0.00
assign (resid 24    and name HN   ) (resid 26    and name HN   )    4.43    4.43    0.00
assign (resid 24    and name HN   ) (resid 25    and name HN   )    3.30    3.30    0.00
assign (resid 11    and name HN   ) (resid 13    and name HN   )    4.45    4.45    0.00
assign (resid 9     and name HN   ) (resid 11    and name HN   )    4.46    4.46    0.00
assign (resid 11    and name HN   ) (resid 12    and name HN   )    3.35    3.35    0.00
assign (resid 11    and name HN   ) (resid 11    and name HD1  )    3.76    3.76    0.00
assign (resid 10    and name HD*  ) (resid 11    and name HN   )    4.22    4.22    0.00
assign (resid 26    and name HN   ) (resid 27    and name HN   )    3.41    3.41    0.00
assign (resid 21    and name HN   ) (resid 22    and name HN   )    3.55    3.55    0.00
assign (resid 12    and name HN   ) (resid 13    and name HN   )    3.28    3.28    0.00
assign (resid 30    and name HN   ) (resid 30    and name HD1  )    5.28    5.28    0.00
assign (resid 9     and name HN   ) (resid 10    and name HN   )    3.19    3.19    0.00
assign (resid 31    and name HN   ) (resid 32    and name HN   )    3.84    3.84    0.00
assign (resid 32    and name HN   ) (resid 33    and name HN   )    3.77    3.77    0.00
assign (resid 10    and name HN   ) (resid 12    and name HN   )    4.47    4.47    0.00
assign (resid 2     and name HN   ) (resid 5     and name HN   )    4.74    4.74    0.00
assign (resid 28    and name HN   ) (resid 29    and name HN   )    3.64    3.64    0.00
assign (resid 29    and name HN   ) (resid 30    and name HN   )    3.76    3.76    0.00
assign (resid 19    and name HN   ) (resid 20    and name HN   )    3.40    3.40    0.00
assign (resid 18    and name HN   ) (resid 19    and name HN   )    3.23    3.23    0.00
assign (resid 25    and name HN   ) (resid 27    and name HN   )    4.55    4.55    0.00
assign (resid 7     and name HN   ) (resid 8     and name HN   )    3.26    3.26    0.00
assign (resid 8     and name HN   ) (resid 9     and name HN   )    3.45    3.45    0.00
assign (resid 13    and name HN   ) (resid 14    and name HN   )    3.26    3.26    0.00
assign (resid 29    and name HN   ) (resid 29    and name HD21 )    4.95    4.95    0.00
assign (resid 6     and name HN   ) (resid 7     and name HN   )    3.23    3.23    0.00
assign (resid 13    and name HN   ) (resid 15    and name HN   )    4.29    4.29    0.00
assign (resid 14    and name HN   ) (resid 15    and name HN   )    3.07    3.07    0.00
assign (resid 3     and name HN   ) (resid 5     and name HN   )    4.40    4.40    0.00
assign (resid 3     and name HN   ) (resid 3     and name HD*  )    3.95    3.95    0.00
assign (resid 3     and name HN   ) (resid 4     and name HN   )    3.18    3.18    0.00
assign (resid 33    and name HN   ) (resid 34    and name HN   )    3.53    3.53    0.00
assign (resid 34    and name HN   ) (resid 35    and name HN   )    3.61    3.61    0.00
assign (resid 5     and name HN   ) (resid 6     and name HN   )    3.13    3.13    0.00
assign (resid 5     and name HN   ) (resid 7     and name HN   )    4.51    4.51    0.00
assign (resid 3     and name HE*  ) (resid 3     and name HZ   )    2.40    2.40    0.00
assign (resid 3     and name HD*  ) (resid 3     and name HZ   )    3.98    3.98    0.00
assign (resid 10    and name HD*  ) (resid 11    and name HD1  )    4.35    4.35    0.00
assign (resid 4     and name HN   ) (resid 6     and name HN   )    4.45    4.45    0.00
assign (resid 4     and name HN   ) (resid 5     and name HN   )    3.13    3.13    0.00
assign (resid 10    and name HE*  ) (resid 10    and name HZ   )    2.40    2.40    0.00
assign (resid 10    and name HD*  ) (resid 10    and name HZ   )    3.88    3.88    0.00
assign (resid 31    and name HN   ) (resid 31    and name HG   )    4.17    4.17    0.00
assign (resid 28    and name HA   ) (resid 31    and name HN   )    4.25    4.25    0.00
assign (resid 30    and name HB2  ) (resid 31    and name HN   )    4.30    4.30    0.00
assign (resid 30    and name HB1  ) (resid 31    and name HN   )    4.30    4.30    0.00
assign (resid 31    and name HN   ) (resid 34    and name HG*  )    4.37    4.37    0.00
assign (resid 25    and name HA   ) (resid 28    and name HN   )    3.98    3.98    0.00
assign (resid 24    and name HA   ) (resid 28    and name HN   )    4.19    4.19    0.00
assign (resid 20    and name HA   ) (resid 23    and name HN   )    3.94    3.94    0.00
assign (resid 7     and name HA2  ) (resid 10    and name HN   )    4.23    4.23    0.00
assign (resid 6     and name HA   ) (resid 10    and name HN   )    4.07    4.07    0.00
assign (resid 10    and name HN   ) (resid 10    and name HB2  )    3.27    3.27    0.00
assign (resid 10    and name HN   ) (resid 10    and name HB1  )    3.27    3.27    0.00
assign (resid 7     and name HA1  ) (resid 10    and name HN   )    5.17    5.17    0.00
assign (resid 20    and name HN   ) (resid 21    and name HA*  )    5.50    5.50    0.00
assign (resid 21    and name HA*  ) (resid 24    and name HN   )    4.17    4.17    0.00
assign (resid 22    and name HG2* ) (resid 24    and name HN   )    5.05    5.05    0.00
assign (resid 23    and name HD1* ) (resid 24    and name HN   )    5.50    5.50    0.00
assign (resid 23    and name HD2* ) (resid 24    and name HN   )    5.50    5.50    0.00
assign (resid 9     and name HA   ) (resid 11    and name HN   )    5.02    5.02    0.00
assign (resid 7     and name HA2  ) (resid 11    and name HN   )    4.41    4.41    0.00
assign (resid 24    and name HA   ) (resid 27    and name HN   )    3.97    3.97    0.00
assign (resid 23    and name HA   ) (resid 27    and name HN   )    4.90    4.90    0.00
assign (resid 25    and name HA   ) (resid 27    and name HN   )    5.33    5.33    0.00
assign (resid 18    and name HG1* ) (resid 22    and name HN   )    4.61    4.61    0.00
assign (resid 9     and name HA   ) (resid 13    and name HN   )    4.14    4.14    0.00
assign (resid 27    and name HA   ) (resid 30    and name HN   )    4.02    4.02    0.00
assign (resid 30    and name HN   ) (resid 30    and name HB1  )    3.82    3.82    0.00
assign (resid 9     and name HN   ) (resid 9     and name HA   )    2.88    2.88    0.00
assign (resid 25    and name HB*  ) (resid 26    and name HN   )    4.18    4.18    0.00
assign (resid 28    and name HA   ) (resid 32    and name HN   )    4.47    4.47    0.00
assign (resid 31    and name HB*  ) (resid 32    and name HN   )    4.35    4.35    0.00
assign (resid 31    and name HD1* ) (resid 32    and name HN   )    5.50    5.50    0.00
assign (resid 31    and name HD2* ) (resid 32    and name HN   )    5.50    5.50    0.00
assign (resid 2     and name HN   ) (resid 2     and name HG2* )    3.61    3.61    0.00
assign (resid 26    and name HA   ) (resid 29    and name HN   )    4.30    4.30    0.00
assign (resid 25    and name HA   ) (resid 29    and name HN   )    4.16    4.16    0.00
assign (resid 15    and name HA   ) (resid 19    and name HN   )    4.40    4.40    0.00
assign (resid 25    and name HN   ) (resid 25    and name HB*  )    3.61    3.61    0.00
assign (resid 22    and name HA   ) (resid 25    and name HN   )    4.52    4.52    0.00
assign (resid 15    and name HB*  ) (resid 19    and name HN   )    4.27    4.27    0.00
assign (resid 5     and name HA   ) (resid 8     and name HN   )    4.26    4.26    0.00
assign (resid 8     and name HN   ) (resid 8     and name HB1  )    3.75    3.75    0.00
assign (resid 11    and name HA   ) (resid 14    and name HN   )    4.15    4.15    0.00
assign (resid 10    and name HA   ) (resid 14    and name HN   )    4.47    4.47    0.00
assign (resid 13    and name HB1  ) (resid 14    and name HN   )    4.29    4.29    0.00
assign (resid 14    and name HN   ) (resid 14    and name HB2  )    3.68    3.68    0.00
assign (resid 33    and name HB*  ) (resid 34    and name HN   )    4.31    4.31    0.00
assign (resid 34    and name HN   ) (resid 34    and name HB1  )    3.80    3.80    0.00
assign (resid 6     and name HN   ) (resid 6     and name HB1  )    3.37    3.37    0.00
assign (resid 6     and name HN   ) (resid 6     and name HD2* )    4.33    4.33    0.00
assign (resid 16    and name HN   ) (resid 17    and name HD*  )    3.34    3.34    0.00
assign (resid 13    and name HA   ) (resid 16    and name HN   )    4.21    4.21    0.00
assign (resid 11    and name HA   ) (resid 15    and name HN   )    4.22    4.22    0.00
assign (resid 18    and name HA   ) (resid 21    and name HN   )    4.49    4.49    0.00
assign (resid 27    and name HA   ) (resid 30    and name HE3  )    3.70    3.70    0.00
assign (resid 3     and name HN   ) (resid 3     and name HB1  )    3.41    3.41    0.00
assign (resid 30    and name HA   ) (resid 33    and name HN   )    4.46    4.46    0.00
assign (resid 33    and name HN   ) (resid 33    and name HD*  )    4.32    4.32    0.00
assign (resid 33    and name HN   ) (resid 33    and name HG*  )    4.25    4.25    0.00
assign (resid 33    and name HN   ) (resid 34    and name HG*  )    4.82    4.82    0.00
assign (resid 33    and name HN   ) (resid 35    and name HD*  )    5.31    5.31    0.00
assign (resid 11    and name HE3  ) (resid 12    and name HA   )    5.50    5.50    0.00
assign (resid 33    and name HN   ) (resid 34    and name HA   )    5.50    5.50    0.00
assign (resid 5     and name HN   ) (resid 5     and name HG2  )    3.96    3.96    0.00
assign (resid 3     and name HA   ) (resid 5     and name HN   )    5.12    5.12    0.00
assign (resid 17    and name HD*  ) (resid 18    and name HN   )    3.66    3.66    0.00
assign (resid 15    and name HB*  ) (resid 18    and name HN   )    5.19    5.19    0.00
assign (resid 12    and name HA   ) (resid 12    and name HD1  )    3.79    3.79    0.00
assign (resid 3     and name HD*  ) (resid 4     and name HA   )    4.77    4.77    0.00
assign (resid 11    and name HB1  ) (resid 11    and name HD1  )    3.79    3.79    0.00
assign (resid 3     and name HD*  ) (resid 6     and name HD1* )    4.88    4.88    0.00
assign (resid 30    and name HD1  ) (resid 31    and name HA   )    5.03    5.03    0.00
assign (resid 27    and name HA   ) (resid 30    and name HZ3  )    5.25    5.25    0.00
assign (resid 3     and name HB1  ) (resid 4     and name HN   )    4.01    4.01    0.00
assign (resid 2     and name HA   ) (resid 2     and name HB   )    3.00    3.00    0.00
assign (resid 1     and name HA   ) (resid 2     and name HA   )    4.74    4.74    0.00
assign (resid 2     and name HA   ) (resid 3     and name HA   )    5.07    5.07    0.00
assign (resid 2     and name HA   ) (resid 2     and name HG2* )    3.13    3.13    0.00
assign (resid 8     and name HA   ) (resid 8     and name HG2  )    3.89    3.89    0.00
assign (resid 8     and name HA   ) (resid 11    and name HB2  )    3.86    3.86    0.00
assign (resid 2     and name HB   ) (resid 3     and name HA   )    4.90    4.90    0.00
assign (resid 3     and name HA   ) (resid 6     and name HB2  )    3.89    3.89    0.00
assign (resid 3     and name HA   ) (resid 6     and name HB1  )    3.84    3.84    0.00
assign (resid 11    and name HA   ) (resid 12    and name HA   )    4.98    4.98    0.00
assign (resid 35    and name HA   ) (resid 35    and name HD*  )    4.52    4.52    0.00
assign (resid 9     and name HA   ) (resid 10    and name HA   )    4.89    4.89    0.00
assign (resid 33    and name HA   ) (resid 35    and name HD*  )    4.00    4.00    0.00
assign (resid 25    and name HA   ) (resid 25    and name HB*  )    2.66    2.66    0.00
assign (resid 14    and name HA   ) (resid 17    and name HG1  )    4.47    4.47    0.00
assign (resid 16    and name HA   ) (resid 20    and name HB*  )    4.37    4.37    0.00
assign (resid 15    and name HA   ) (resid 16    and name HA   )    5.45    5.45    0.00
assign (resid 33    and name HA   ) (resid 34    and name HA   )    5.50    5.50    0.00
assign (resid 33    and name HE*  ) (resid 34    and name HA   )    5.21    5.21    0.00
assign (resid 34    and name HA   ) (resid 34    and name HD*  )    5.40    5.40    0.00
assign (resid 20    and name HA   ) (resid 23    and name HG   )    4.61    4.61    0.00
assign (resid 20    and name HA   ) (resid 24    and name HB*  )    5.17    5.17    0.00
assign (resid 24    and name HB*  ) (resid 25    and name HB*  )    5.41    5.41    0.00
assign (resid 18    and name HA   ) (resid 19    and name HA   )    4.97    4.97    0.00
assign (resid 22    and name HA   ) (resid 23    and name HA   )    4.81    4.81    0.00
assign (resid 15    and name HA   ) (resid 17    and name HD*  )    4.42    4.42    0.00
assign (resid 14    and name HA   ) (resid 17    and name HD*  )    4.28    4.28    0.00
assign (resid 8     and name HA   ) (resid 11    and name HB1  )    4.04    4.04    0.00
assign (resid 9     and name HA   ) (resid 12    and name HB*  )    3.44    3.44    0.00
assign (resid 10    and name HA   ) (resid 13    and name HB2  )    3.91    3.91    0.00
assign (resid 26    and name HA   ) (resid 29    and name HB2  )    4.28    4.28    0.00
assign (resid 29    and name HA   ) (resid 32    and name HB2  )    4.56    4.56    0.00
assign (resid 33    and name HG*  ) (resid 33    and name HE*  )    3.65    3.65    0.00
assign (resid 10    and name HA   ) (resid 13    and name HB1  )    4.28    4.28    0.00
assign (resid 35    and name HG*  ) (resid 35    and name HE*  )    4.07    4.07    0.00
assign (resid 26    and name HA   ) (resid 26    and name HG2  )    3.81    3.81    0.00
assign (resid 22    and name HG2* ) (resid 26    and name HG2  )    4.13    4.13    0.00
assign (resid 23    and name HA   ) (resid 26    and name HG2  )    4.74    4.74    0.00
assign (resid 26    and name HA   ) (resid 29    and name HB1  )    4.28    4.28    0.00
assign (resid 8     and name HA   ) (resid 8     and name HG1  )    3.89    3.89    0.00
assign (resid 8     and name HG1  ) (resid 8     and name HE*  )    4.55    4.55    0.00
assign (resid 1     and name HG2  ) (resid 1     and name HE*  )    4.36    4.36    0.00
assign (resid 22    and name HG2* ) (resid 26    and name HG1  )    4.13    4.13    0.00
assign (resid 26    and name HA   ) (resid 26    and name HG1  )    3.81    3.81    0.00
assign (resid 26    and name HG1  ) (resid 26    and name HE*  )    4.57    4.57    0.00
assign (resid 23    and name HA   ) (resid 26    and name HG1  )    4.74    4.74    0.00
assign (resid 1     and name HG1  ) (resid 1     and name HE*  )    4.36    4.36    0.00
assign (resid 26    and name HB2  ) (resid 26    and name HE*  )    4.67    4.67    0.00
assign (resid 23    and name HA   ) (resid 26    and name HB2  )    3.61    3.61    0.00
assign (resid 22    and name HG2* ) (resid 26    and name HB2  )    5.50    5.50    0.00
assign (resid 5     and name HA   ) (resid 5     and name HG2  )    3.82    3.82    0.00
assign (resid 5     and name HA   ) (resid 5     and name HG1  )    3.82    3.82    0.00
assign (resid 5     and name HA   ) (resid 8     and name HB2  )    4.58    4.58    0.00
assign (resid 8     and name HB2  ) (resid 8     and name HE*  )    4.32    4.32    0.00
assign (resid 15    and name HA   ) (resid 18    and name HB   )    3.78    3.78    0.00
assign (resid 25    and name HA   ) (resid 28    and name HB   )    3.32    3.32    0.00
assign (resid 1     and name HB*  ) (resid 1     and name HE*  )    3.40    3.40    0.00
assign (resid 19    and name HA   ) (resid 22    and name HB   )    3.38    3.38    0.00
assign (resid 24    and name HB*  ) (resid 27    and name HB   )    4.63    4.63    0.00
assign (resid 22    and name HB   ) (resid 22    and name HD1* )    3.33    3.33    0.00
assign (resid 27    and name HB   ) (resid 27    and name HD1* )    3.61    3.61    0.00
assign (resid 24    and name HA   ) (resid 27    and name HB   )    3.48    3.48    0.00
assign (resid 31    and name HA   ) (resid 31    and name HG   )    4.16    4.16    0.00
assign (resid 16    and name HB*  ) (resid 17    and name HG1  )    4.36    4.36    0.00
assign (resid 31    and name HG   ) (resid 34    and name HG*  )    4.07    4.07    0.00
assign (resid 4     and name HB*  ) (resid 8     and name HE*  )    4.60    4.60    0.00
assign (resid 23    and name HA   ) (resid 26    and name HE*  )    3.99    3.99    0.00
assign (resid 27    and name HG2* ) (resid 31    and name HB*  )    4.07    4.07    0.00
assign (resid 1     and name HA   ) (resid 1     and name HE*  )    4.25    4.25    0.00
assign (resid 28    and name HA   ) (resid 31    and name HB*  )    3.76    3.76    0.00
assign (resid 22    and name HA   ) (resid 22    and name HG1* )    3.51    3.51    0.00
assign (resid 16    and name HA   ) (resid 19    and name HB   )    3.85    3.85    0.00
assign (resid 19    and name HB   ) (resid 20    and name HB*  )    4.08    4.08    0.00
assign (resid 15    and name HB*  ) (resid 19    and name HB   )    4.63    4.63    0.00
assign (resid 22    and name HG2* ) (resid 22    and name HG1* )    3.31    3.31    0.00
assign (resid 33    and name HA   ) (resid 33    and name HD*  )    3.95    3.95    0.00
assign (resid 20    and name HA   ) (resid 23    and name HB*  )    3.61    3.61    0.00
assign (resid 23    and name HB*  ) (resid 24    and name HA   )    4.66    4.66    0.00
assign (resid 24    and name HA   ) (resid 27    and name HG1* )    4.86    4.86    0.00
assign (resid 27    and name HG2* ) (resid 27    and name HG1* )    3.63    3.63    0.00
assign (resid 19    and name HG2* ) (resid 23    and name HB*  )    3.45    3.45    0.00
assign (resid 23    and name HB*  ) (resid 23    and name HD1* )    3.37    3.37    0.00
assign (resid 23    and name HB*  ) (resid 23    and name HD2* )    3.37    3.37    0.00
assign (resid 27    and name HA   ) (resid 27    and name HG1* )    3.54    3.54    0.00
assign (resid 33    and name HB*  ) (resid 33    and name HD*  )    2.86    2.86    0.00
assign (resid 17    and name HB2  ) (resid 18    and name HG2* )    4.21    4.21    0.00
assign (resid 11    and name HA   ) (resid 14    and name HB1  )    3.96    3.96    0.00
assign (resid 23    and name HA   ) (resid 23    and name HG   )    3.58    3.58    0.00
assign (resid 23    and name HB*  ) (resid 23    and name HG   )    2.85    2.85    0.00
assign (resid 11    and name HA   ) (resid 14    and name HG   )    4.39    4.39    0.00
assign (resid 9     and name HB*  ) (resid 10    and name HA   )    4.10    4.10    0.00
assign (resid 9     and name HB*  ) (resid 12    and name HB*  )    4.32    4.32    0.00
assign (resid 21    and name HA*  ) (resid 24    and name HB*  )    3.22    3.22    0.00
assign (resid 14    and name HG   ) (resid 18    and name HG2* )    4.37    4.37    0.00
assign (resid 31    and name HB*  ) (resid 34    and name HG*  )    3.78    3.78    0.00
assign (resid 33    and name HA   ) (resid 33    and name HG*  )    3.82    3.82    0.00
assign (resid 31    and name HA   ) (resid 34    and name HG*  )    3.50    3.50    0.00
assign (resid 30    and name HA   ) (resid 33    and name HG*  )    5.31    5.31    0.00
assign (resid 30    and name HA   ) (resid 34    and name HG*  )    5.50    5.50    0.00
assign (resid 34    and name HA   ) (resid 34    and name HG*  )    3.71    3.71    0.00
assign (resid 20    and name HB*  ) (resid 21    and name HA*  )    3.87    3.87    0.00
assign (resid 19    and name HG2* ) (resid 20    and name HB*  )    4.29    4.29    0.00
assign (resid 17    and name HA   ) (resid 20    and name HB*  )    3.00    3.00    0.00
assign (resid 14    and name HB2  ) (resid 17    and name HG2  )    4.45    4.45    0.00
assign (resid 11    and name HA   ) (resid 14    and name HB2  )    4.99    4.99    0.00
assign (resid 16    and name HB*  ) (resid 17    and name HA   )    4.03    4.03    0.00
assign (resid 15    and name HB*  ) (resid 16    and name HB*  )    4.19    4.19    0.00
assign (resid 13    and name HA   ) (resid 16    and name HB*  )    3.71    3.71    0.00
assign (resid 16    and name HB*  ) (resid 17    and name HD*  )    2.95    2.95    0.00
assign (resid 35    and name HA   ) (resid 35    and name HG*  )    4.06    4.06    0.00
assign (resid 2     and name HB   ) (resid 4     and name HB*  )    4.27    4.27    0.00
assign (resid 4     and name HB*  ) (resid 5     and name HA   )    4.34    4.34    0.00
assign (resid 2     and name HG2* ) (resid 4     and name HB*  )    3.82    3.82    0.00
assign (resid 1     and name HA   ) (resid 2     and name HG2* )    4.81    4.81    0.00
assign (resid 1     and name HB*  ) (resid 2     and name HG2* )    5.50    5.50    0.00
assign (resid 2     and name HG2* ) (resid 5     and name HB1  )    5.50    5.50    0.00
assign (resid 18    and name HG2* ) (resid 19    and name HG1* )    4.62    4.62    0.00
assign (resid 19    and name HA   ) (resid 19    and name HG1* )    3.55    3.55    0.00
assign (resid 19    and name HG2* ) (resid 19    and name HG1* )    3.32    3.32    0.00
assign (resid 11    and name HA   ) (resid 15    and name HB*  )    4.15    4.15    0.00
assign (resid 12    and name HA   ) (resid 15    and name HB*  )    3.49    3.49    0.00
assign (resid 15    and name HB*  ) (resid 18    and name HB   )    4.21    4.21    0.00
assign (resid 15    and name HB*  ) (resid 18    and name HG2* )    4.02    4.02    0.00
assign (resid 15    and name HB*  ) (resid 18    and name HG1* )    4.08    4.08    0.00
assign (resid 15    and name HB*  ) (resid 19    and name HD1* )    3.26    3.26    0.00
assign (resid 14    and name HD1* ) (resid 15    and name HB*  )    4.44    4.44    0.00
assign (resid 25    and name HA   ) (resid 28    and name HG1* )    4.29    4.29    0.00
assign (resid 28    and name HA   ) (resid 28    and name HG1* )    3.02    3.02    0.00
assign (resid 15    and name HA   ) (resid 18    and name HG2* )    3.57    3.57    0.00
assign (resid 18    and name HA   ) (resid 18    and name HG2* )    2.81    2.81    0.00
assign (resid 17    and name HD*  ) (resid 18    and name HG2* )    4.34    4.34    0.00
assign (resid 14    and name HD1* ) (resid 18    and name HG2* )    4.02    4.02    0.00
assign (resid 24    and name HA   ) (resid 27    and name HG2* )    4.68    4.68    0.00
assign (resid 27    and name HA   ) (resid 27    and name HG2* )    3.12    3.12    0.00
assign (resid 27    and name HG2* ) (resid 28    and name HA   )    3.77    3.77    0.00
assign (resid 15    and name HA   ) (resid 18    and name HG1* )    4.17    4.17    0.00
assign (resid 18    and name HA   ) (resid 18    and name HG1* )    2.95    2.95    0.00
assign (resid 18    and name HG1* ) (resid 22    and name HG1* )    4.46    4.46    0.00
assign (resid 28    and name HG2* ) (resid 29    and name HA   )    5.50    5.50    0.00
assign (resid 25    and name HA   ) (resid 28    and name HG2* )    4.29    4.29    0.00
assign (resid 28    and name HA   ) (resid 28    and name HG2* )    3.02    3.02    0.00
assign (resid 14    and name HD1* ) (resid 18    and name HG1* )    4.02    4.02    0.00
assign (resid 15    and name HB*  ) (resid 19    and name HG2* )    4.85    4.85    0.00
assign (resid 31    and name HA   ) (resid 31    and name HD1* )    3.74    3.74    0.00
assign (resid 31    and name HA   ) (resid 31    and name HD2* )    3.74    3.74    0.00
assign (resid 19    and name HG2* ) (resid 20    and name HA   )    3.97    3.97    0.00
assign (resid 22    and name HG2* ) (resid 25    and name HB*  )    4.36    4.36    0.00
assign (resid 19    and name HA   ) (resid 19    and name HG2* )    2.93    2.93    0.00
assign (resid 31    and name HB*  ) (resid 31    and name HD1* )    3.31    3.31    0.00
assign (resid 31    and name HB*  ) (resid 31    and name HD2* )    3.31    3.31    0.00
assign (resid 22    and name HG2* ) (resid 23    and name HA   )    3.88    3.88    0.00
assign (resid 22    and name HA   ) (resid 22    and name HG2* )    3.02    3.02    0.00
assign (resid 6     and name HB1  ) (resid 6     and name HD1* )    3.28    3.28    0.00
assign (resid 3     and name HA   ) (resid 6     and name HD1* )    4.48    4.48    0.00
assign (resid 6     and name HB2  ) (resid 6     and name HD1* )    3.50    3.50    0.00
assign (resid 3     and name HA   ) (resid 6     and name HD2* )    4.48    4.48    0.00
assign (resid 6     and name HB2  ) (resid 6     and name HD2* )    3.50    3.50    0.00
assign (resid 6     and name HB1  ) (resid 6     and name HD2* )    3.28    3.28    0.00
assign (resid 27    and name HA   ) (resid 27    and name HD1* )    3.97    3.97    0.00
assign (resid 24    and name HA   ) (resid 27    and name HD1* )    3.53    3.53    0.00
assign (resid 19    and name HA   ) (resid 22    and name HD1* )    3.42    3.42    0.00
assign (resid 24    and name HB*  ) (resid 27    and name HD1* )    4.34    4.34    0.00
assign (resid 27    and name HG2* ) (resid 27    and name HD1* )    2.64    2.64    0.00
assign (resid 16    and name HA   ) (resid 19    and name HD1* )    3.77    3.77    0.00
assign (resid 16    and name HB*  ) (resid 19    and name HD1* )    4.38    4.38    0.00
assign (resid 14    and name HA   ) (resid 14    and name HD1* )    3.36    3.36    0.00
assign (resid 11    and name HA   ) (resid 14    and name HD2* )    3.76    3.76    0.00
assign (resid 14    and name HB1  ) (resid 14    and name HD2* )    3.17    3.17    0.00
assign (resid 14    and name HB2  ) (resid 14    and name HD1* )    3.10    3.10    0.00
assign (resid 10    and name HD*  ) (resid 14    and name HB1  )    5.10    5.10    0.00
assign (resid 6     and name HG   ) (resid 10    and name HD*  )    5.50    5.50    0.00
assign (resid 6     and name HB1  ) (resid 10    and name HD*  )    5.50    5.50    0.00
assign (resid 30    and name HE1  ) (resid 34    and name HD*  )    5.10    5.10    0.00
assign (resid 1     and name HG2  ) (resid 2     and name HN   )    4.89    4.89    0.00
assign (resid 1     and name HG1  ) (resid 2     and name HN   )    4.89    4.89    0.00
assign (resid 2     and name HN   ) (resid 5     and name HG1  )    4.91    4.91    0.00
assign (resid 1     and name HA   ) (resid 5     and name HB2  )    5.50    5.50    0.00
assign (resid 3     and name HA   ) (resid 5     and name HB2  )    5.50    5.50    0.00
assign (resid 1     and name HB*  ) (resid 2     and name HA   )    5.23    5.23    0.00
assign (resid 30    and name HA   ) (resid 33    and name HB*  )    4.75    4.75    0.00
assign (resid 30    and name HA   ) (resid 33    and name HD*  )    5.07    5.07    0.00
assign (resid 29    and name HA   ) (resid 29    and name HD22 )    5.50    5.50    0.00
assign (resid 2     and name HN   ) (resid 2     and name HB   )    4.11    4.11    0.00
assign (resid 29    and name HA   ) (resid 32    and name HB1  )    4.56    4.56    0.00
assign (resid 2     and name HN   ) (resid 3     and name HN   )    4.84    4.84    0.00
assign (resid 3     and name HA   ) (resid 4     and name HB*  )    5.14    5.14    0.00
assign (resid 3     and name HB1  ) (resid 4     and name HB*  )    5.40    5.40    0.00
assign (resid 3     and name HB2  ) (resid 4     and name HB*  )    5.50    5.50    0.00
assign (resid 2     and name HA   ) (resid 3     and name HB2  )    5.45    5.45    0.00
assign (resid 2     and name HA   ) (resid 3     and name HB1  )    5.30    5.30    0.00
assign (resid 11    and name HE3  ) (resid 12    and name HD1  )    5.48    5.48    0.00
assign (resid 16    and name HN   ) (resid 18    and name HN   )    4.52    4.52    0.00
assign (resid 12    and name HN   ) (resid 12    and name HD1  )    4.77    4.77    0.00
assign (resid 12    and name HD1  ) (resid 13    and name HN   )    5.36    5.36    0.00
assign (resid 2     and name HA   ) (resid 5     and name HN   )    4.82    4.82    0.00
assign (resid 2     and name HA   ) (resid 3     and name HD*  )    5.50    5.50    0.00
assign (resid 3     and name HB1  ) (resid 5     and name HN   )    5.50    5.50    0.00
assign (resid 3     and name HD*  ) (resid 4     and name HB*  )    4.89    4.89    0.00
assign (resid 3     and name HD*  ) (resid 6     and name HB2  )    5.34    5.34    0.00
assign (resid 3     and name HD*  ) (resid 6     and name HB1  )    5.13    5.13    0.00
assign (resid 3     and name HE*  ) (resid 6     and name HB1  )    5.50    5.50    0.00
assign (resid 5     and name HN   ) (resid 6     and name HB1  )    5.50    5.50    0.00
assign (resid 18    and name HN   ) (resid 19    and name HG1* )    5.22    5.22    0.00
assign (resid 8     and name HN   ) (resid 11    and name HD1  )    5.08    5.08    0.00
assign (resid 3     and name HD*  ) (resid 4     and name HN   )    4.53    4.53    0.00
assign (resid 6     and name HD2* ) (resid 10    and name HD*  )    5.50    5.50    0.00
assign (resid 11    and name HZ3  ) (resid 15    and name HB*  )    5.29    5.29    0.00
assign (resid 25    and name HB*  ) (resid 29    and name HD22 )    5.27    5.27    0.00
assign (resid 4     and name HB*  ) (resid 8     and name HN   )    5.30    5.30    0.00
assign (resid 4     and name HB*  ) (resid 8     and name HG1  )    5.50    5.50    0.00
assign (resid 4     and name HB*  ) (resid 8     and name HG2  )    5.50    5.50    0.00
assign (resid 4     and name HB*  ) (resid 5     and name HB1  )    5.31    5.31    0.00
assign (resid 4     and name HB*  ) (resid 5     and name HB2  )    5.39    5.39    0.00
assign (resid 4     and name HB*  ) (resid 5     and name HG1  )    5.24    5.24    0.00
assign (resid 5     and name HA   ) (resid 8     and name HG1  )    5.12    5.12    0.00
assign (resid 2     and name HG2* ) (resid 5     and name HA   )    5.50    5.50    0.00
assign (resid 4     and name HN   ) (resid 5     and name HA   )    5.43    5.43    0.00
assign (resid 20    and name HA   ) (resid 22    and name HN   )    4.79    4.79    0.00
assign (resid 2     and name HG2* ) (resid 5     and name HG2  )    5.00    5.00    0.00
assign (resid 4     and name HB*  ) (resid 5     and name HG2  )    5.24    5.24    0.00
assign (resid 17    and name HB1  ) (resid 20    and name HB*  )    4.69    4.69    0.00
assign (resid 2     and name HN   ) (resid 5     and name HG2  )    4.91    4.91    0.00
assign (resid 5     and name HG2  ) (resid 6     and name HN   )    5.31    5.31    0.00
assign (resid 5     and name HB1  ) (resid 9     and name HB*  )    5.50    5.50    0.00
assign (resid 8     and name HB1  ) (resid 9     and name HB*  )    5.50    5.50    0.00
assign (resid 24    and name HB*  ) (resid 28    and name HB   )    5.50    5.50    0.00
assign (resid 5     and name HG1  ) (resid 6     and name HN   )    5.31    5.31    0.00
assign (resid 30    and name HA   ) (resid 34    and name HN   )    5.28    5.28    0.00
assign (resid 2     and name HB   ) (resid 6     and name HN   )    5.18    5.18    0.00
assign (resid 29    and name HA   ) (resid 29    and name HD21 )    5.50    5.50    0.00
assign (resid 34    and name HN   ) (resid 35    and name HA   )    5.27    5.27    0.00
assign (resid 6     and name HN   ) (resid 8     and name HN   )    4.80    4.80    0.00
assign (resid 2     and name HN   ) (resid 6     and name HN   )    4.95    4.95    0.00
assign (resid 3     and name HA   ) (resid 6     and name HA   )    5.50    5.50    0.00
assign (resid 2     and name HB   ) (resid 4     and name HA   )    5.10    5.10    0.00
assign (resid 26    and name HA   ) (resid 29    and name HA   )    5.50    5.50    0.00
assign (resid 14    and name HA   ) (resid 18    and name HG2* )    4.51    4.51    0.00
assign (resid 14    and name HD1* ) (resid 15    and name HA   )    4.73    4.73    0.00
assign (resid 15    and name HA   ) (resid 19    and name HD1* )    4.83    4.83    0.00
assign (resid 10    and name HA   ) (resid 14    and name HD2* )    4.57    4.57    0.00
assign (resid 26    and name HA   ) (resid 26    and name HE*  )    4.60    4.60    0.00
assign (resid 22    and name HB   ) (resid 23    and name HA   )    4.80    4.80    0.00
assign (resid 23    and name HA   ) (resid 26    and name HB1  )    5.20    5.20    0.00
assign (resid 5     and name HB2  ) (resid 6     and name HA   )    4.90    4.90    0.00
assign (resid 8     and name HB2  ) (resid 9     and name HA   )    4.94    4.94    0.00
assign (resid 16    and name HA   ) (resid 18    and name HB   )    5.50    5.50    0.00
assign (resid 10    and name HD*  ) (resid 14    and name HA   )    5.31    5.31    0.00
assign (resid 33    and name HZ*  ) (resid 34    and name HB2  )    5.45    5.45    0.00
assign (resid 33    and name HZ*  ) (resid 34    and name HB1  )    5.45    5.45    0.00
assign (resid 22    and name HG2* ) (resid 26    and name HA   )    5.50    5.50    0.00
assign (resid 3     and name HE*  ) (resid 6     and name HD1* )    5.39    5.39    0.00
assign (resid 3     and name HE*  ) (resid 6     and name HD2* )    5.39    5.39    0.00
assign (resid 28    and name HN   ) (resid 30    and name HN   )    4.80    4.80    0.00
assign (resid 20    and name HN   ) (resid 22    and name HN   )    5.26    5.26    0.00
assign (resid 10    and name HN   ) (resid 13    and name HN   )    4.86    4.86    0.00
assign (resid 12    and name HN   ) (resid 14    and name HN   )    4.64    4.64    0.00
assign (resid 27    and name HN   ) (resid 29    and name HN   )    4.56    4.56    0.00
assign (resid 26    and name HN   ) (resid 29    and name HN   )    4.82    4.82    0.00
assign (resid 9     and name HN   ) (resid 10    and name HB1  )    5.50    5.50    0.00
assign (resid 8     and name HG1  ) (resid 12    and name HE1  )    5.47    5.47    0.00
assign (resid 26    and name HG1  ) (resid 27    and name HN   )    4.94    4.94    0.00
assign (resid 23    and name HB*  ) (resid 26    and name HN   )    5.31    5.31    0.00
assign (resid 26    and name HN   ) (resid 27    and name HG1* )    5.50    5.50    0.00
assign (resid 13    and name HN   ) (resid 14    and name HB1  )    4.97    4.97    0.00
assign (resid 23    and name HG   ) (resid 27    and name HN   )    4.89    4.89    0.00
assign (resid 10    and name HA   ) (resid 12    and name HN   )    4.81    4.81    0.00
assign (resid 29    and name HA   ) (resid 32    and name HN   )    4.70    4.70    0.00
assign (resid 30    and name HA   ) (resid 32    and name HN   )    5.28    5.28    0.00
assign (resid 8     and name HA   ) (resid 10    and name HN   )    4.93    4.93    0.00
assign (resid 32    and name HA   ) (resid 34    and name HN   )    4.78    4.78    0.00
assign (resid 8     and name HA   ) (resid 9     and name HA   )    5.50    5.50    0.00
assign (resid 12    and name HA   ) (resid 13    and name HA   )    5.50    5.50    0.00
assign (resid 13    and name HA   ) (resid 14    and name HA   )    5.50    5.50    0.00
assign (resid 10    and name HA   ) (resid 13    and name HA   )    5.42    5.42    0.00
assign (resid 8     and name HA   ) (resid 8     and name HE*  )    4.55    4.55    0.00
assign (resid 28    and name HG1* ) (resid 29    and name HA   )    5.50    5.50    0.00
assign (resid 32    and name HA   ) (resid 32    and name HD21 )    5.11    5.11    0.00
assign (resid 8     and name HA   ) (resid 12    and name HE1  )    4.88    4.88    0.00
assign (resid 32    and name HA   ) (resid 35    and name HD*  )    5.13    5.13    0.00
assign (resid 32    and name HA   ) (resid 34    and name HG*  )    5.17    5.17    0.00
assign (resid 13    and name HA   ) (resid 15    and name HB*  )    5.19    5.19    0.00
assign (resid 5     and name HA   ) (resid 8     and name HG2  )    5.12    5.12    0.00
assign (resid 8     and name HG2  ) (resid 12    and name HE1  )    5.47    5.47    0.00
assign (resid 8     and name HG2  ) (resid 8     and name HE*  )    4.55    4.55    0.00
assign (resid 32    and name HN   ) (resid 32    and name HD22 )    5.07    5.07    0.00
assign (resid 17    and name HA   ) (resid 19    and name HN   )    4.94    4.94    0.00
assign (resid 33    and name HA   ) (resid 35    and name HN   )    5.05    5.05    0.00
assign (resid 3     and name HN   ) (resid 4     and name HA   )    5.34    5.34    0.00
assign (resid 16    and name HA   ) (resid 19    and name HG1* )    5.10    5.10    0.00
assign (resid 8     and name HA   ) (resid 9     and name HB*  )    5.05    5.05    0.00
assign (resid 10    and name HD*  ) (resid 14    and name HG   )    5.05    5.05    0.00
assign (resid 34    and name HG*  ) (resid 35    and name HN   )    4.65    4.65    0.00
assign (resid 6     and name HN   ) (resid 9     and name HB*  )    5.35    5.35    0.00
assign (resid 14    and name HG   ) (resid 16    and name HN   )    5.50    5.50    0.00
assign (resid 24    and name HB*  ) (resid 28    and name HN   )    4.65    4.65    0.00
assign (resid 21    and name HN   ) (resid 24    and name HB*  )    4.95    4.95    0.00
assign (resid 14    and name HB2  ) (resid 18    and name HG2* )    4.76    4.76    0.00
assign (resid 14    and name HB1  ) (resid 18    and name HG2* )    4.91    4.91    0.00
assign (resid 26    and name HN   ) (resid 28    and name HN   )    4.74    4.74    0.00
assign (resid 23    and name HN   ) (resid 26    and name HN   )    5.08    5.08    0.00
assign (resid 19    and name HD1* ) (resid 20    and name HN   )    4.73    4.73    0.00
assign (resid 17    and name HA   ) (resid 20    and name HN   )    4.04    4.04    0.00
assign (resid 17    and name HA   ) (resid 18    and name HG2* )    5.22    5.22    0.00
assign (resid 9     and name HB*  ) (resid 10    and name HB2  )    4.99    4.99    0.00
assign (resid 9     and name HB*  ) (resid 10    and name HB1  )    4.99    4.99    0.00
assign (resid 9     and name HN   ) (resid 10    and name HB2  )    5.50    5.50    0.00
assign (resid 11    and name HB1  ) (resid 14    and name HD2* )    5.34    5.34    0.00
assign (resid 12    and name HB*  ) (resid 15    and name HB*  )    4.74    4.74    0.00
assign (resid 11    and name HB1  ) (resid 15    and name HB*  )    5.35    5.35    0.00
assign (resid 30    and name HD1  ) (resid 31    and name HN   )    5.50    5.50    0.00
assign (resid 30    and name HZ3  ) (resid 31    and name HN   )    5.50    5.50    0.00
assign (resid 10    and name HD*  ) (resid 11    and name HE1  )    4.97    4.97    0.00
assign (resid 30    and name HD1  ) (resid 33    and name HE*  )    5.50    5.50    0.00
assign (resid 30    and name HD1  ) (resid 34    and name HD*  )    5.50    5.50    0.00
assign (resid 30    and name HH2  ) (resid 34    and name HD*  )    5.13    5.13    0.00
assign (resid 30    and name HD1  ) (resid 33    and name HG*  )    4.99    4.99    0.00
assign (resid 30    and name HD1  ) (resid 34    and name HG*  )    5.33    5.33    0.00
assign (resid 30    and name HZ3  ) (resid 31    and name HB*  )    5.07    5.07    0.00
assign (resid 10    and name HA   ) (resid 10    and name HE*  )    4.63    4.63    0.00
assign (resid 9     and name HB*  ) (resid 11    and name HN   )    4.82    4.82    0.00
assign (resid 11    and name HN   ) (resid 14    and name HD2* )    5.02    5.02    0.00
assign (resid 24    and name HN   ) (resid 27    and name HD1* )    5.16    5.16    0.00
assign (resid 12    and name HN   ) (resid 15    and name HB*  )    4.97    4.97    0.00
assign (resid 27    and name HG2* ) (resid 30    and name HN   )    5.12    5.12    0.00
assign (resid 4     and name HB*  ) (resid 7     and name HN   )    4.98    4.98    0.00
assign (resid 13    and name HN   ) (resid 16    and name HB*  )    4.95    4.95    0.00
assign (resid 8     and name HB1  ) (resid 12    and name HE1  )    4.68    4.68    0.00
assign (resid 22    and name HB   ) (resid 24    and name HN   )    5.15    5.15    0.00
assign (resid 18    and name HB   ) (resid 20    and name HN   )    5.21    5.21    0.00
assign (resid 26    and name HE*  ) (resid 27    and name HN   )    4.93    4.93    0.00
assign (resid 8     and name HA   ) (resid 11    and name HA   )    5.50    5.50    0.00
assign (resid 32    and name HA   ) (resid 35    and name HA   )    5.50    5.50    0.00
assign (resid 10    and name HN   ) (resid 11    and name HA   )    5.46    5.46    0.00
assign (resid 10    and name HA   ) (resid 14    and name HB1  )    5.10    5.10    0.00
assign (resid 9     and name HN   ) (resid 10    and name HA   )    5.50    5.50    0.00
assign (resid 17    and name HD*  ) (resid 19    and name HN   )    4.87    4.87    0.00
assign (resid 12    and name HB*  ) (resid 14    and name HN   )    5.01    5.01    0.00
assign (resid 15    and name HB*  ) (resid 17    and name HD*  )    4.64    4.64    0.00
assign (resid 32    and name HN   ) (resid 32    and name HD21 )    5.07    5.07    0.00
assign (resid 30    and name HZ2  ) (resid 34    and name HD*  )    4.87    4.87    0.00
assign (resid 32    and name HB1  ) (resid 33    and name HN   )    4.73    4.73    0.00
assign (resid 32    and name HB2  ) (resid 33    and name HN   )    4.73    4.73    0.00
assign (resid 11    and name HE3  ) (resid 14    and name HB1  )    5.50    5.50    0.00
assign (resid 18    and name HN   ) (resid 20    and name HB*  )    4.99    4.99    0.00
assign (resid 10    and name HE*  ) (resid 11    and name HZ2  )    5.50    5.50    0.00
assign (resid 10    and name HE*  ) (resid 11    and name HD1  )    5.50    5.50    0.00
assign (resid 10    and name HE*  ) (resid 11    and name HA   )    5.34    5.34    0.00
assign (resid 3     and name HD*  ) (resid 7     and name HN   )    5.38    5.38    0.00
assign (resid 11    and name HD1  ) (resid 12    and name HN   )    5.50    5.50    0.00
assign (resid 11    and name HN   ) (resid 11    and name HE3  )    5.16    5.16    0.00
assign (resid 29    and name HN   ) (resid 29    and name HD22 )    4.95    4.95    0.00
assign (resid 25    and name HB*  ) (resid 27    and name HN   )    5.50    5.50    0.00
assign (resid 16    and name HB*  ) (resid 19    and name HN   )    5.00    5.00    0.00
assign (resid 12    and name HN   ) (resid 14    and name HD2* )    5.36    5.36    0.00
assign (resid 3     and name HB1  ) (resid 4     and name HA   )    4.91    4.91    0.00
assign (resid 9     and name HA   ) (resid 13    and name HB2  )    4.94    4.94    0.00
assign (resid 8     and name HA   ) (resid 12    and name HD1  )    5.24    5.24    0.00
assign (resid 32    and name HA   ) (resid 35    and name HN   )    5.21    5.21    0.00
assign (resid 26    and name HG2  ) (resid 27    and name HN   )    4.94    4.94    0.00
assign (resid 10    and name HN   ) (resid 11    and name HB2  )    5.42    5.42    0.00
assign (resid 10    and name HN   ) (resid 12    and name HB*  )    5.50    5.50    0.00
assign (resid 11    and name HA   ) (resid 13    and name HN   )    4.65    4.65    0.00
assign (resid 30    and name HN   ) (resid 30    and name HE3  )    4.95    4.95    0.00
assign (resid 19    and name HG1* ) (resid 20    and name HN   )    5.35    5.35    0.00
assign (resid 12    and name HA   ) (resid 12    and name HE1  )    5.18    5.18    0.00
assign (resid 12    and name HB*  ) (resid 15    and name HN   )    5.50    5.50    0.00
assign (resid 12    and name HB*  ) (resid 16    and name HN   )    5.50    5.50    0.00
assign (resid 9     and name HN   ) (resid 12    and name HB*  )    4.88    4.88    0.00
assign (resid 12    and name HB*  ) (resid 16    and name HB*  )    5.29    5.29    0.00
assign (resid 10    and name HA   ) (resid 12    and name HB*  )    5.50    5.50    0.00
assign (resid 17    and name HD*  ) (resid 18    and name HA   )    5.33    5.33    0.00
assign (resid 32    and name HA   ) (resid 32    and name HD22 )    5.11    5.11    0.00
assign (resid 2     and name HB   ) (resid 7     and name HN   )    5.50    5.50    0.00
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assign (resid 32    and name HN   ) (resid 34    and name HG*  )    4.58    4.58    0.00
assign (resid 9     and name HB*  ) (resid 12    and name HN   )    5.12    5.12    0.00
assign (resid 12    and name HN   ) (resid 14    and name HG   )    5.50    5.50    0.00
assign (resid 20    and name HB*  ) (resid 22    and name HN   )    4.93    4.93    0.00
assign (resid 11    and name HE3  ) (resid 14    and name HB2  )    5.50    5.50    0.00
assign (resid 13    and name HN   ) (resid 14    and name HD2* )    4.96    4.96    0.00
assign (resid 11    and name HD1  ) (resid 14    and name HD2* )    4.85    4.85    0.00
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assign (resid 10    and name HB2  ) (resid 14    and name HD2* )    4.87    4.87    0.00
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assign (resid 13    and name HB1  ) (resid 14    and name HD2* )    4.96    4.96    0.00
assign (resid 14    and name HD1* ) (resid 19    and name HG1* )    5.50    5.50    0.00
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assign (resid 19    and name HN   ) (resid 21    and name HN   )    4.60    4.60    0.00
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assign (resid 21    and name HN   ) (resid 23    and name HN   )    4.71    4.71    0.00
assign (resid 16    and name HN   ) (resid 17    and name HG2  )    4.63    4.63    0.00
assign (resid 30    and name HE3  ) (resid 34    and name HG*  )    5.50    5.50    0.00
assign (resid 15    and name HN   ) (resid 18    and name HG2* )    5.11    5.11    0.00
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assign (resid 4     and name HB*  ) (resid 6     and name HN   )    4.60    4.60    0.00
assign (resid 26    and name HA   ) (resid 30    and name HN   )    4.70    4.70    0.00
assign (resid 19    and name HD1* ) (resid 20    and name HB*  )    5.31    5.31    0.00
assign (resid 16    and name HB*  ) (resid 17    and name HB1  )    4.76    4.76    0.00
assign (resid 2     and name HG2* ) (resid 5     and name HG1  )    5.00    5.00    0.00
assign (resid 2     and name HG2* ) (resid 5     and name HB2  )    4.76    4.76    0.00
assign (resid 14    and name HB2  ) (resid 15    and name HA   )    5.49    5.49    0.00
assign (resid 15    and name HA   ) (resid 16    and name HB*  )    5.50    5.50    0.00
assign (resid 26    and name HB2  ) (resid 27    and name HG1* )    4.85    4.85    0.00
assign (resid 27    and name HB   ) (resid 30    and name HE3  )    5.34    5.34    0.00
assign (resid 19    and name HB   ) (resid 21    and name HN   )    5.50    5.50    0.00
assign (resid 21    and name HN   ) (resid 22    and name HG1* )    5.50    5.50    0.00
assign (resid 14    and name HD1* ) (resid 17    and name HD*  )    5.04    5.04    0.00
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assign (resid 19    and name HA   ) (resid 21    and name HN   )    4.98    4.98    0.00
assign (resid 6     and name HN   ) (resid 7     and name HA2  )    4.95    4.95    0.00
assign (resid 22    and name HA   ) (resid 26    and name HN   )    4.89    4.89    0.00
assign (resid 22    and name HA   ) (resid 24    and name HN   )    4.99    4.99    0.00
assign (resid 18    and name HA   ) (resid 20    and name HN   )    5.03    5.03    0.00
assign (resid 22    and name HA   ) (resid 25    and name HB*  )    4.54    4.54    0.00
assign (resid 18    and name HA   ) (resid 21    and name HA*  )    5.48    5.48    0.00
assign (resid 21    and name HA*  ) (resid 22    and name HA   )    5.50    5.50    0.00
assign (resid 18    and name HA   ) (resid 20    and name HB*  )    5.49    5.49    0.00
assign (resid 17    and name HB2  ) (resid 18    and name HA   )    5.13    5.13    0.00
assign (resid 7     and name HA1  ) (resid 11    and name HN   )    4.78    4.78    0.00
assign (resid 8     and name HN   ) (resid 11    and name HN   )    5.09    5.09    0.00
assign (resid 25    and name HN   ) (resid 28    and name HN   )    4.84    4.84    0.00
assign (resid 19    and name HA   ) (resid 19    and name HD1* )    3.93    3.93    0.00
assign (resid 19    and name HA   ) (resid 23    and name HB*  )    4.94    4.94    0.00
assign (resid 18    and name HB   ) (resid 19    and name HA   )    5.06    5.06    0.00
assign (resid 19    and name HB   ) (resid 19    and name HD1* )    3.60    3.60    0.00
assign (resid 16    and name HN   ) (resid 19    and name HD1* )    4.79    4.79    0.00
assign (resid 18    and name HB   ) (resid 22    and name HD1* )    4.74    4.74    0.00
assign (resid 18    and name HN   ) (resid 19    and name HD1* )    4.74    4.74    0.00
assign (resid 28    and name HN   ) (resid 29    and name HA   )    5.48    5.48    0.00
assign (resid 20    and name HB*  ) (resid 23    and name HN   )    4.79    4.79    0.00
assign (resid 21    and name HA*  ) (resid 25    and name HN   )    4.61    4.61    0.00
assign (resid 21    and name HA*  ) (resid 23    and name HN   )    4.85    4.85    0.00
assign (resid 19    and name HA   ) (resid 22    and name HN   )    3.95    3.95    0.00
assign (resid 27    and name HD1* ) (resid 30    and name HZ3  )    4.89    4.89    0.00
assign (resid 27    and name HD1* ) (resid 28    and name HN   )    4.62    4.62    0.00
assign (resid 22    and name HA   ) (resid 22    and name HD1* )    3.92    3.92    0.00
assign (resid 6     and name HD1* ) (resid 10    and name HD*  )    5.50    5.50    0.00
assign (resid 25    and name HN   ) (resid 26    and name HN   )    3.46    3.46    0.00
assign (resid 26    and name HG2  ) (resid 26    and name HE*  )    4.57    4.57    0.00
assign (resid 33    and name HE*  ) (resid 34    and name HN   )    5.50    5.50    0.00
assign (resid 34    and name HN   ) (resid 34    and name HD*  )    5.50    5.50    0.00
assign (resid 6     and name HB2  ) (resid 9     and name HB*  )    4.94    4.94    0.00
assign (resid 1     and name HB*  ) (resid 6     and name HD*  )    4.31    4.31    0.00
assign (resid 1     and name HG*  ) (resid 2     and name HN   )    4.27    4.27    0.00
assign (resid 1     and name HG*  ) (resid 6     and name HN   )    5.17    5.17    0.00
assign (resid 1     and name HG*  ) (resid 6     and name HD*  )    4.22    4.22    0.00
assign (resid 2     and name HG2* ) (resid 5     and name HG*  )    4.30    4.30    0.00
assign (resid 3     and name HA   ) (resid 6     and name HD*  )    3.92    3.92    0.00
assign (resid 3     and name HD*  ) (resid 6     and name HD*  )    4.09    4.09    0.00
assign (resid 3     and name HE*  ) (resid 6     and name HD*  )    4.49    4.49    0.00
assign (resid 4     and name HB*  ) (resid 5     and name HG*  )    4.49    4.49    0.00
assign (resid 4     and name HB*  ) (resid 8     and name HG*  )    4.79    4.79    0.00
assign (resid 5     and name HA   ) (resid 8     and name HG*  )    4.47    4.47    0.00
assign (resid 5     and name HB2  ) (resid 6     and name HD*  )    5.42    5.42    0.00
assign (resid 5     and name HG*  ) (resid 6     and name HN   )    4.52    4.52    0.00
assign (resid 6     and name HA   ) (resid 6     and name HD*  )    3.52    3.52    0.00
assign (resid 6     and name HA   ) (resid 10    and name HB*  )    4.88    4.88    0.00
assign (resid 6     and name HB2  ) (resid 6     and name HD*  )    3.05    3.05    0.00
assign (resid 6     and name HB1  ) (resid 6     and name HD*  )    2.87    2.87    0.00
assign (resid 6     and name HB1  ) (resid 10    and name HB*  )    5.08    5.08    0.00
assign (resid 6     and name HD*  ) (resid 7     and name HN   )    4.38    4.38    0.00
assign (resid 6     and name HD*  ) (resid 9     and name HB*  )    4.02    4.02    0.00
assign (resid 6     and name HD*  ) (resid 10    and name HN   )    3.94    3.94    0.00
assign (resid 6     and name HD*  ) (resid 10    and name HD*  )    4.54    4.54    0.00
assign (resid 6     and name HD*  ) (resid 10    and name HE*  )    4.95    4.95    0.00
assign (resid 6     and name HD*  ) (resid 14    and name HD2* )    5.44    5.44    0.00
assign (resid 7     and name HN   ) (resid 8     and name HG*  )    5.34    5.34    0.00
assign (resid 7     and name HN   ) (resid 10    and name HB*  )    5.29    5.29    0.00
assign (resid 7     and name HA2  ) (resid 10    and name HB*  )    4.33    4.33    0.00
assign (resid 8     and name HG*  ) (resid 9     and name HN   )    4.57    4.57    0.00
assign (resid 8     and name HG*  ) (resid 12    and name HE1  )    4.76    4.76    0.00
assign (resid 9     and name HB*  ) (resid 10    and name HB*  )    4.33    4.33    0.00
assign (resid 10    and name HB*  ) (resid 11    and name HN   )    3.36    3.36    0.00
assign (resid 10    and name HB*  ) (resid 13    and name HN   )    5.34    5.34    0.00
assign (resid 20    and name HN   ) (resid 23    and name HD*  )    5.44    5.44    0.00
assign (resid 20    and name HA   ) (resid 23    and name HD*  )    3.49    3.49    0.00
assign (resid 20    and name HB*  ) (resid 23    and name HD*  )    4.32    4.32    0.00
assign (resid 22    and name HG2* ) (resid 26    and name HG*  )    3.48    3.48    0.00
assign (resid 23    and name HN   ) (resid 23    and name HD*  )    4.31    4.31    0.00
assign (resid 23    and name HA   ) (resid 23    and name HD*  )    2.88    2.88    0.00
assign (resid 23    and name HA   ) (resid 26    and name HG*  )    3.88    3.88    0.00
assign (resid 23    and name HD*  ) (resid 24    and name HN   )    4.72    4.72    0.00
assign (resid 23    and name HD*  ) (resid 26    and name HN   )    4.53    4.53    0.00
assign (resid 23    and name HD*  ) (resid 26    and name HA   )    5.44    5.44    0.00
assign (resid 23    and name HD*  ) (resid 26    and name HB2  )    4.85    4.85    0.00
assign (resid 23    and name HD*  ) (resid 26    and name HG*  )    4.23    4.23    0.00
assign (resid 23    and name HD*  ) (resid 26    and name HE*  )    3.51    3.51    0.00
assign (resid 23    and name HD*  ) (resid 27    and name HN   )    4.54    4.54    0.00
assign (resid 24    and name HA   ) (resid 28    and name HG*  )    3.95    3.95    0.00
assign (resid 24    and name HB*  ) (resid 28    and name HG*  )    3.43    3.43    0.00
assign (resid 25    and name HN   ) (resid 28    and name HG*  )    4.64    4.64    0.00
assign (resid 25    and name HA   ) (resid 28    and name HG*  )    3.27    3.27    0.00
assign (resid 25    and name HA   ) (resid 29    and name HB*  )    5.25    5.25    0.00
assign (resid 25    and name HA   ) (resid 29    and name HD2* )    5.34    5.34    0.00
assign (resid 25    and name HB*  ) (resid 28    and name HG*  )    4.97    4.97    0.00
assign (resid 25    and name HB*  ) (resid 29    and name HD2* )    4.55    4.55    0.00
assign (resid 26    and name HN   ) (resid 26    and name HG*  )    3.39    3.39    0.00
assign (resid 26    and name HN   ) (resid 28    and name HG*  )    5.18    5.18    0.00
assign (resid 26    and name HA   ) (resid 26    and name HG*  )    3.28    3.28    0.00
assign (resid 26    and name HA   ) (resid 29    and name HB*  )    3.60    3.60    0.00
assign (resid 27    and name HN   ) (resid 28    and name HG*  )    4.22    4.22    0.00
assign (resid 27    and name HB   ) (resid 28    and name HG*  )    3.71    3.71    0.00
assign (resid 27    and name HG2* ) (resid 28    and name HG*  )    3.63    3.63    0.00
assign (resid 27    and name HG2* ) (resid 30    and name HB*  )    4.72    4.72    0.00
assign (resid 28    and name HN   ) (resid 28    and name HG*  )    2.84    2.84    0.00
assign (resid 28    and name HN   ) (resid 31    and name HD*  )    5.31    5.31    0.00
assign (resid 28    and name HA   ) (resid 28    and name HG*  )    2.64    2.64    0.00
assign (resid 28    and name HA   ) (resid 32    and name HD2* )    4.84    4.84    0.00
assign (resid 28    and name HG*  ) (resid 29    and name HA   )    4.11    4.11    0.00
assign (resid 28    and name HG*  ) (resid 31    and name HN   )    5.44    5.44    0.00
assign (resid 28    and name HG*  ) (resid 31    and name HB*  )    4.43    4.43    0.00
assign (resid 28    and name HG*  ) (resid 32    and name HN   )    4.99    4.99    0.00
assign (resid 28    and name HG*  ) (resid 32    and name HA   )    4.81    4.81    0.00
assign (resid 28    and name HG*  ) (resid 32    and name HB*  )    4.12    4.12    0.00
assign (resid 28    and name HG*  ) (resid 32    and name HD2* )    3.05    3.05    0.00
assign (resid 29    and name HN   ) (resid 29    and name HB*  )    3.34    3.34    0.00
assign (resid 29    and name HN   ) (resid 29    and name HD2* )    4.14    4.14    0.00
assign (resid 29    and name HA   ) (resid 29    and name HD2* )    4.73    4.73    0.00
assign (resid 29    and name HA   ) (resid 32    and name HB*  )    4.01    4.01    0.00
assign (resid 29    and name HA   ) (resid 32    and name HD2* )    4.58    4.58    0.00
assign (resid 30    and name HN   ) (resid 30    and name HB*  )    3.32    3.32    0.00
assign (resid 30    and name HN   ) (resid 31    and name HD*  )    5.25    5.25    0.00
assign (resid 30    and name HB*  ) (resid 30    and name HD1  )    3.41    3.41    0.00
assign (resid 30    and name HB*  ) (resid 31    and name HD*  )    4.77    4.77    0.00
assign (resid 30    and name HE3  ) (resid 31    and name HD*  )    3.51    3.51    0.00
assign (resid 30    and name HE1  ) (resid 31    and name HD*  )    5.44    5.44    0.00
assign (resid 30    and name HZ3  ) (resid 31    and name HD*  )    3.64    3.64    0.00
assign (resid 30    and name HH2  ) (resid 31    and name HD*  )    4.93    4.93    0.00
assign (resid 31    and name HN   ) (resid 31    and name HD*  )    3.75    3.75    0.00
assign (resid 31    and name HA   ) (resid 31    and name HD*  )    3.24    3.24    0.00
assign (resid 31    and name HB*  ) (resid 31    and name HD*  )    2.83    2.83    0.00
assign (resid 31    and name HD*  ) (resid 32    and name HN   )    4.84    4.84    0.00
assign (resid 31    and name HD*  ) (resid 34    and name HG*  )    3.33    3.33    0.00
assign (resid 32    and name HN   ) (resid 32    and name HB*  )    3.49    3.49    0.00
assign (resid 32    and name HN   ) (resid 32    and name HD2* )    4.43    4.43    0.00
assign (resid 32    and name HA   ) (resid 32    and name HD2* )    4.43    4.43    0.00
assign (resid 33    and name HZ*  ) (resid 34    and name HB*  )    4.59    4.59    0.00
assign (resid 34    and name HB*  ) (resid 34    and name HD*  )    3.46    3.46    0.00
assign (resid 34    and name HB*  ) (resid 35    and name HN   )    4.40    4.40    0.00
assign (resid 35    and name HN   ) (resid 35    and name HB*  )    3.50    3.50    0.00
# Restraints file 2: dihedrals.tbl
assign (resid 2     and name C    ) (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    )    1.0  -57.4    6.2 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    ) (resid 4     and name N    )    1.0  -40.2    6.4 2
assign (resid 3     and name C    ) (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    )    1.0  -63.7    6.0 2
assign (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    ) (resid 5     and name N    )    1.0  -39.4    3.1 2
assign (resid 4     and name C    ) (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    )    1.0  -64.9    5.2 2
assign (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    ) (resid 6     and name N    )    1.0  -37.5   14.2 2
assign (resid 5     and name C    ) (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    )    1.0  -95.0   20.2 2
assign (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    ) (resid 7     and name N    )    1.0    3.6   16.0 2
assign (resid 7     and name C    ) (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    )    1.0  -63.2   12.2 2
assign (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    ) (resid 9     and name N    )    1.0  -38.1   14.5 2
assign (resid 8     and name C    ) (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    )    1.0  -64.4    4.9 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    ) (resid 10    and name N    )    1.0  -40.6    5.2 2
assign (resid 9     and name C    ) (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    )    1.0  -62.9    6.0 2
assign (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    ) (resid 11    and name N    )    1.0  -44.4    6.0 2
assign (resid 10    and name C    ) (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    )    1.0  -62.0    7.2 2
assign (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    ) (resid 12    and name N    )    1.0  -43.8    6.8 2
assign (resid 11    and name C    ) (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    )    1.0  -61.9    5.9 2
assign (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    ) (resid 13    and name N    )    1.0  -43.8    3.1 2
assign (resid 12    and name C    ) (resid 13    and name N    ) (resid 13    and name CA   ) (resid 13    and name C    )    1.0  -65.3    4.8 2
assign (resid 13    and name N    ) (resid 13    and name CA   ) (resid 13    and name C    ) (resid 14    and name N    )    1.0  -32.4    9.1 2
assign (resid 13    and name C    ) (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    )    1.0  -64.9    6.8 2
assign (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    ) (resid 15    and name N    )    1.0  -41.7   10.9 2
assign (resid 14    and name C    ) (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name C    )    1.0  -66.2    4.0 2
assign (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name C    ) (resid 16    and name N    )    1.0  -40.5    4.4 2
assign (resid 15    and name C    ) (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name C    )    1.0  -52.7    5.8 2
assign (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name C    ) (resid 17    and name N    )    1.0  -49.3    6.5 2
assign (resid 17    and name N    ) (resid 17    and name CA   ) (resid 17    and name C    ) (resid 18    and name N    )    1.0  -33.5   15.2 2
assign (resid 17    and name C    ) (resid 18    and name N    ) (resid 18    and name CA   ) (resid 18    and name C    )    1.0  -65.2    4.6 2
assign (resid 18    and name N    ) (resid 18    and name CA   ) (resid 18    and name C    ) (resid 19    and name N    )    1.0  -39.8    8.8 2
assign (resid 18    and name C    ) (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name C    )    1.0  -63.5    6.3 2
assign (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name C    ) (resid 20    and name N    )    1.0  -44.4    7.1 2
assign (resid 19    and name C    ) (resid 20    and name N    ) (resid 20    and name CA   ) (resid 20    and name C    )    1.0  -59.8    8.8 2
assign (resid 20    and name N    ) (resid 20    and name CA   ) (resid 20    and name C    ) (resid 21    and name N    )    1.0  -42.5    7.7 2
assign (resid 20    and name C    ) (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name C    )    1.0  -66.4    3.8 2
assign (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name C    ) (resid 22    and name N    )    1.0  -39.8    5.4 2
assign (resid 21    and name C    ) (resid 22    and name N    ) (resid 22    and name CA   ) (resid 22    and name C    )    1.0  -63.5    4.5 2
assign (resid 22    and name N    ) (resid 22    and name CA   ) (resid 22    and name C    ) (resid 23    and name N    )    1.0  -42.4    5.7 2
assign (resid 22    and name C    ) (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name C    )    1.0  -62.6    6.5 2
assign (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name C    ) (resid 24    and name N    )    1.0  -44.2    9.1 2
assign (resid 23    and name C    ) (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name C    )    1.0  -62.0    2.6 2
assign (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name C    ) (resid 25    and name N    )    1.0  -41.3    5.5 2
assign (resid 24    and name C    ) (resid 25    and name N    ) (resid 25    and name CA   ) (resid 25    and name C    )    1.0  -60.1    5.7 2
assign (resid 25    and name N    ) (resid 25    and name CA   ) (resid 25    and name C    ) (resid 26    and name N    )    1.0  -39.7    7.2 2
assign (resid 25    and name C    ) (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    )    1.0  -62.4    7.1 2
assign (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    ) (resid 27    and name N    )    1.0  -42.3    6.7 2
assign (resid 26    and name C    ) (resid 27    and name N    ) (resid 27    and name CA   ) (resid 27    and name C    )    1.0  -64.3    3.8 2
assign (resid 27    and name N    ) (resid 27    and name CA   ) (resid 27    and name C    ) (resid 28    and name N    )    1.0  -43.5    6.6 2
assign (resid 27    and name C    ) (resid 28    and name N    ) (resid 28    and name CA   ) (resid 28    and name C    )    1.0  -64.3    3.4 2
assign (resid 28    and name C    ) (resid 29    and name N    ) (resid 29    and name CA   ) (resid 29    and name C    )    1.0  -61.8    4.2 2
assign (resid 29    and name C    ) (resid 30    and name N    ) (resid 30    and name CA   ) (resid 30    and name C    )    1.0  -64.7    4.9 2
assign (resid 30    and name N    ) (resid 30    and name CA   ) (resid 30    and name C    ) (resid 31    and name N    )    1.0  -42.8    6.8 2
assign (resid 30    and name C    ) (resid 31    and name N    ) (resid 31    and name CA   ) (resid 31    and name C    )    1.0  -59.1    3.8 2
assign (resid 31    and name N    ) (resid 31    and name CA   ) (resid 31    and name C    ) (resid 32    and name N    )    1.0  -40.7   12.1 2
assign (resid 31    and name C    ) (resid 32    and name N    ) (resid 32    and name CA   ) (resid 32    and name C    )    1.0  -70.5    3.6 2
assign (resid 32    and name N    ) (resid 32    and name CA   ) (resid 32    and name C    ) (resid 33    and name N    )    1.0  -29.3   15.8 2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           HT1      MET   1 -27.964  -0.316   4.452
    2    H2   MET   1           HT2      MET   1 -28.040  -1.254   3.047
    3    H3   MET   1           HT3      MET   1 -28.384   0.401   2.978
    4    HA   MET   1           HA       MET   1 -26.122   0.942   3.565
    5    HB2  MET   1           HB2      MET   1 -25.703  -1.101   4.895
    6    HB3  MET   1           HB1      MET   1 -25.680  -2.047   3.413
    7    HG2  MET   1           HG2      MET   1 -23.722  -0.853   2.644
    8    HG3  MET   1           HG1      MET   1 -23.764   0.178   4.074
    9    HE1  MET   1           HE1      MET   1 -22.896  -2.315   6.941
   10    HE2  MET   1           HE2      MET   1 -24.495  -1.814   6.393
   11    HE3  MET   1           HE3      MET   1 -23.193  -0.630   6.511
   12    H    THR   2           HN       THR   2 -24.558   1.261   1.925
   13    HA   THR   2           HA       THR   2 -25.434   0.326  -0.729
   14    HB   THR   2           HB       THR   2 -23.847   2.481  -1.268
   15    HG1  THR   2           HG1      THR   2 -25.446   3.427   0.843
   16   HG21  THR   2          HG21      THR   2 -25.933   3.693  -1.704
   17   HG22  THR   2          HG22      THR   2 -26.822   2.513  -0.741
   18   HG23  THR   2          HG23      THR   2 -26.044   2.018  -2.244
   19    H    PHE   3           HN       PHE   3 -24.099  -0.896  -1.850
   20    HA   PHE   3           HA       PHE   3 -21.615  -1.755  -0.844
   21    HB2  PHE   3           HB2      PHE   3 -23.252  -2.862  -2.567
   22    HB3  PHE   3           HB1      PHE   3 -22.293  -1.983  -3.755
   23    HD1  PHE   3           HD1      PHE   3 -20.496  -3.077  -4.679
   24    HD2  PHE   3           HD2      PHE   3 -21.798  -4.159  -0.778
   25    HE1  PHE   3           HE1      PHE   3 -18.799  -4.857  -4.613
   26    HE2  PHE   3           HE2      PHE   3 -20.105  -5.941  -0.702
   27    HZ   PHE   3           HZ       PHE   3 -18.601  -6.294  -2.622
   28    H    ALA   4           HN       ALA   4 -22.519   0.764  -3.105
   29    HA   ALA   4           HA       ALA   4 -19.908   1.258  -4.115
   30    HB1  ALA   4           HB1      ALA   4 -20.856   3.344  -4.977
   31    HB2  ALA   4           HB2      ALA   4 -22.310   3.080  -4.015
   32    HB3  ALA   4           HB3      ALA   4 -21.902   1.967  -5.321
   33    H    GLU   5           HN       GLU   5 -21.832   2.698  -1.505
   34    HA   GLU   5           HA       GLU   5 -19.954   4.694  -0.813
   35    HB2  GLU   5           HB2      GLU   5 -22.165   3.382   0.772
   36    HB3  GLU   5           HB1      GLU   5 -21.199   4.714   1.389
   37    HG2  GLU   5           HG2      GLU   5 -22.933   4.790  -1.070
   38    HG3  GLU   5           HG1      GLU   5 -23.333   5.479   0.503
   39    H    LEU   6           HN       LEU   6 -20.291   1.326   0.006
   40    HA   LEU   6           HA       LEU   6 -18.201   1.479   2.028
   41    HB2  LEU   6           HB2      LEU   6 -20.287   0.018   2.223
   42    HB3  LEU   6           HB1      LEU   6 -19.557  -1.005   0.999
   43    HG   LEU   6           HG       LEU   6 -17.833  -0.435   3.319
   44   HD11  LEU   6          HD11      LEU   6 -19.974  -0.633   4.453
   45   HD12  LEU   6          HD12      LEU   6 -18.979  -2.058   4.753
   46   HD13  LEU   6          HD13      LEU   6 -20.307  -2.136   3.595
   47   HD21  LEU   6          HD21      LEU   6 -17.196  -1.978   1.532
   48   HD22  LEU   6          HD22      LEU   6 -18.621  -2.960   1.865
   49   HD23  LEU   6          HD23      LEU   6 -17.346  -2.817   3.075
   50    H    GLY   7           HN       GLY   7 -18.503   1.053  -1.299
   51    HA2  GLY   7           HA2      GLY   7 -16.409  -0.811  -1.773
   52    HA3  GLY   7           HA1      GLY   7 -17.082   0.309  -2.946
   53    H    MET   8           HN       MET   8 -16.491   2.741  -1.765
   54    HA   MET   8           HA       MET   8 -13.749   3.019  -2.474
   55    HB2  MET   8           HB2      MET   8 -15.679   4.964  -1.197
   56    HB3  MET   8           HB1      MET   8 -14.069   5.392  -1.761
   57    HG2  MET   8           HG2      MET   8 -16.288   4.307  -3.480
   58    HG3  MET   8           HG1      MET   8 -15.814   6.000  -3.363
   59    HE1  MET   8           HE1      MET   8 -14.609   4.864  -6.946
   60    HE2  MET   8           HE2      MET   8 -15.546   6.066  -6.060
   61    HE3  MET   8           HE3      MET   8 -16.065   4.382  -6.077
   62    H    ALA   9           HN       ALA   9 -15.497   3.062   0.604
   63    HA   ALA   9           HA       ALA   9 -13.270   3.740   2.211
   64    HB1  ALA   9           HB1      ALA   9 -15.577   3.993   2.984
   65    HB2  ALA   9           HB2      ALA   9 -14.635   2.996   4.092
   66    HB3  ALA   9           HB3      ALA   9 -15.774   2.241   2.978
   67    H    PHE  10           HN       PHE  10 -14.690   0.649   1.252
   68    HA   PHE  10           HA       PHE  10 -12.932  -0.961   2.798
   69    HB2  PHE  10           HB2      PHE  10 -14.976  -1.965   2.190
   70    HB3  PHE  10           HB1      PHE  10 -14.795  -1.514   0.500
   71    HD1  PHE  10           HD1      PHE  10 -12.576  -3.330   2.900
   72    HD2  PHE  10           HD2      PHE  10 -14.689  -3.381  -0.793
   73    HE1  PHE  10           HE1      PHE  10 -11.643  -5.551   2.403
   74    HE2  PHE  10           HE2      PHE  10 -13.756  -5.601  -1.300
   75    HZ   PHE  10           HZ       PHE  10 -12.232  -6.690   0.300
   76    H    TRP  11           HN       TRP  11 -12.915   0.082  -0.599
   77    HA   TRP  11           HA       TRP  11 -10.650  -1.427  -1.347
   78    HB2  TRP  11           HB2      TRP  11 -12.217   0.778  -2.535
   79    HB3  TRP  11           HB1      TRP  11 -10.552   0.639  -3.089
   80    HD1  TRP  11           HD1      TRP  11 -13.898  -0.621  -3.863
   81    HE1  TRP  11           HE1      TRP  11 -13.777  -2.685  -5.395
   82    HE3  TRP  11           HE3      TRP  11  -8.931  -1.722  -3.350
   83    HZ2  TRP  11           HZ2      TRP  11 -11.834  -4.538  -6.269
   84    HZ3  TRP  11           HZ3      TRP  11  -8.021  -3.658  -4.567
   85    HH2  TRP  11           HH2      TRP  11  -9.444  -5.037  -5.994
   86    H    HIS  12           HN       HIS  12 -11.013   1.891  -0.180
   87    HA   HIS  12           HA       HIS  12  -8.276   2.580  -0.423
   88    HB2  HIS  12           HB2      HIS  12 -10.542   3.735   1.197
   89    HB3  HIS  12           HB1      HIS  12  -8.915   4.407   1.245
   90    HD1  HIS  12           HD1      HIS  12 -10.521   3.182  -1.948
   91    HD2  HIS  12           HD2      HIS  12  -9.537   6.742  -0.047
   92    HE1  HIS  12           HE1      HIS  12 -10.870   5.017  -3.654
   93    H    ASP  13           HN       ASP  13 -10.214   1.232   2.201
   94    HA   ASP  13           HA       ASP  13  -8.228   1.391   4.202
   95    HB2  ASP  13           HB2      ASP  13 -10.616   1.075   4.708
   96    HB3  ASP  13           HB1      ASP  13 -10.556  -0.527   3.978
   97    H    LEU  14           HN       LEU  14  -9.137  -1.192   1.942
   98    HA   LEU  14           HA       LEU  14  -7.202  -3.028   2.965
   99    HB2  LEU  14           HB2      LEU  14  -7.877  -4.508   1.294
  100    HB3  LEU  14           HB1      LEU  14  -9.325  -3.621   1.712
  101    HG   LEU  14           HG       LEU  14  -8.582  -2.128  -0.349
  102   HD11  LEU  14          HD11      LEU  14  -7.581  -4.824  -1.206
  103   HD12  LEU  14          HD12      LEU  14  -6.501  -3.581  -0.579
  104   HD13  LEU  14          HD13      LEU  14  -7.438  -3.276  -2.042
  105   HD21  LEU  14          HD21      LEU  14 -10.710  -3.278  -0.144
  106   HD22  LEU  14          HD22      LEU  14  -9.944  -4.811  -0.557
  107   HD23  LEU  14          HD23      LEU  14 -10.039  -3.523  -1.756
  108    H    ALA  15           HN       ALA  15  -7.229  -0.556   0.530
  109    HA   ALA  15           HA       ALA  15  -4.870  -1.364  -0.831
  110    HB1  ALA  15           HB1      ALA  15  -6.123   1.374  -0.694
  111    HB2  ALA  15           HB2      ALA  15  -6.546   0.108  -1.847
  112    HB3  ALA  15           HB3      ALA  15  -4.934   0.823  -1.874
  113    H    ALA  16           HN       ALA  16  -5.492   0.674   1.964
  114    HA   ALA  16           HA       ALA  16  -3.152   2.095   2.165
  115    HB1  ALA  16           HB1      ALA  16  -4.617   0.849   4.487
  116    HB2  ALA  16           HB2      ALA  16  -5.079   2.345   3.679
  117    HB3  ALA  16           HB3      ALA  16  -3.543   2.246   4.540
  118    HA   PRO  17           HA       PRO  17  -0.893  -1.519   4.405
  119    HB2  PRO  17           HB2      PRO  17  -2.006  -3.992   4.380
  120    HB3  PRO  17           HB1      PRO  17  -2.377  -2.796   5.638
  121    HG2  PRO  17           HG2      PRO  17  -3.959  -3.536   3.222
  122    HG3  PRO  17           HG1      PRO  17  -4.506  -3.237   4.884
  123    HD2  PRO  17           HD2      PRO  17  -4.712  -1.381   2.924
  124    HD3  PRO  17           HD1      PRO  17  -4.481  -0.962   4.631
  125    H    VAL  18           HN       VAL  18  -2.701  -2.191   1.480
  126    HA   VAL  18           HA       VAL  18  -0.915  -4.120   0.391
  127    HB   VAL  18           HB       VAL  18  -2.973  -2.332  -0.910
  128   HG11  VAL  18          HG11      VAL  18  -1.276  -2.829  -2.565
  129   HG12  VAL  18          HG12      VAL  18  -2.737  -3.754  -2.908
  130   HG13  VAL  18          HG13      VAL  18  -1.348  -4.544  -2.161
  131   HG21  VAL  18          HG21      VAL  18  -4.366  -4.246  -0.968
  132   HG22  VAL  18          HG22      VAL  18  -3.694  -4.177   0.662
  133   HG23  VAL  18          HG23      VAL  18  -3.038  -5.314  -0.515
  134    H    ILE  19           HN       ILE  19  -1.334  -0.640  -0.160
  135    HA   ILE  19           HA       ILE  19   0.845  -0.388  -1.965
  136    HB   ILE  19           HB       ILE  19  -0.528   1.736  -0.311
  137   HG12  ILE  19          HG12      ILE  19  -1.020   1.197  -3.225
  138   HG13  ILE  19          HG11      ILE  19  -1.872   0.270  -1.995
  139   HG21  ILE  19          HG21      ILE  19   0.330   3.283  -2.046
  140   HG22  ILE  19          HG22      ILE  19   1.261   1.949  -2.728
  141   HG23  ILE  19          HG23      ILE  19   1.607   2.524  -1.097
  142   HD11  ILE  19          HD11      ILE  19  -3.135   2.215  -2.856
  143   HD12  ILE  19          HD12      ILE  19  -1.899   3.270  -2.169
  144   HD13  ILE  19          HD13      ILE  19  -2.875   2.249  -1.112
  145    H    ALA  20           HN       ALA  20   0.431   0.257   1.494
  146    HA   ALA  20           HA       ALA  20   3.002   1.324   1.945
  147    HB1  ALA  20           HB1      ALA  20   1.142   1.639   3.501
  148    HB2  ALA  20           HB2      ALA  20   2.547   0.944   4.310
  149    HB3  ALA  20           HB3      ALA  20   1.174  -0.081   3.891
  150    H    GLY  21           HN       GLY  21   1.752  -1.969   1.966
  151    HA2  GLY  21           HA2      GLY  21   4.031  -3.189   3.137
  152    HA3  GLY  21           HA1      GLY  21   2.804  -4.004   2.179
  153    H    ILE  22           HN       ILE  22   3.055  -2.731  -0.245
  154    HA   ILE  22           HA       ILE  22   5.316  -4.038  -1.349
  155    HB   ILE  22           HB       ILE  22   3.470  -1.989  -2.585
  156   HG12  ILE  22          HG12      ILE  22   3.503  -4.997  -2.902
  157   HG13  ILE  22          HG11      ILE  22   2.437  -4.141  -1.791
  158   HG21  ILE  22          HG21      ILE  22   5.548  -2.050  -3.809
  159   HG22  ILE  22          HG22      ILE  22   4.296  -2.867  -4.744
  160   HG23  ILE  22          HG23      ILE  22   5.500  -3.812  -3.868
  161   HD11  ILE  22          HD11      ILE  22   2.486  -3.768  -4.777
  162   HD12  ILE  22          HD12      ILE  22   1.371  -3.009  -3.642
  163   HD13  ILE  22          HD13      ILE  22   1.327  -4.755  -3.888
  164    H    LEU  23           HN       LEU  23   4.611  -0.710  -0.469
  165    HA   LEU  23           HA       LEU  23   6.862   0.491  -1.679
  166    HB2  LEU  23           HB2      LEU  23   5.002   1.850  -1.014
  167    HB3  LEU  23           HB1      LEU  23   5.141   1.323   0.652
  168    HG   LEU  23           HG       LEU  23   7.304   2.506   0.830
  169   HD11  LEU  23          HD11      LEU  23   6.652   3.471  -1.951
  170   HD12  LEU  23          HD12      LEU  23   7.993   2.420  -1.495
  171   HD13  LEU  23          HD13      LEU  23   7.949   4.089  -0.928
  172   HD21  LEU  23          HD21      LEU  23   6.388   4.760   0.862
  173   HD22  LEU  23          HD22      LEU  23   5.223   3.602   1.505
  174   HD23  LEU  23          HD23      LEU  23   5.028   4.233  -0.130
  175    H    ALA  24           HN       ALA  24   6.350  -1.057   1.429
  176    HA   ALA  24           HA       ALA  24   8.651  -0.197   2.759
  177    HB1  ALA  24           HB1      ALA  24   8.352  -2.135   4.198
  178    HB2  ALA  24           HB2      ALA  24   7.249  -2.854   3.025
  179    HB3  ALA  24           HB3      ALA  24   6.801  -1.367   3.861
  180    H    SER  25           HN       SER  25   8.141  -3.039   0.691
  181    HA   SER  25           HA       SER  25  10.719  -4.122   0.956
  182    HB2  SER  25           HB2      SER  25   8.766  -4.353  -1.346
  183    HB3  SER  25           HB1      SER  25  10.190  -5.369  -1.121
  184    HG   SER  25           HG       SER  25   9.280  -6.202   0.734
  185    H    MET  26           HN       MET  26   9.392  -1.725  -1.261
  186    HA   MET  26           HA       MET  26  11.608  -1.577  -3.003
  187    HB2  MET  26           HB2      MET  26   9.505   0.483  -2.314
  188    HB3  MET  26           HB1      MET  26  10.663   0.650  -3.626
  189    HG2  MET  26           HG2      MET  26   9.742  -1.275  -4.742
  190    HG3  MET  26           HG1      MET  26   8.650  -1.574  -3.392
  191    HE1  MET  26           HE1      MET  26   9.545   1.997  -4.859
  192    HE2  MET  26           HE2      MET  26   8.362   2.106  -6.163
  193    HE3  MET  26           HE3      MET  26   9.647   0.900  -6.236
  194    H    ILE  27           HN       ILE  27  10.704   0.376  -0.176
  195    HA   ILE  27           HA       ILE  27  12.872   2.142  -0.247
  196    HB   ILE  27           HB       ILE  27  11.313   1.179   2.155
  197   HG12  ILE  27          HG12      ILE  27  10.968   3.666   0.464
  198   HG13  ILE  27          HG11      ILE  27   9.967   2.225   0.337
  199   HG21  ILE  27          HG21      ILE  27  13.413   2.186   2.836
  200   HG22  ILE  27          HG22      ILE  27  12.072   3.264   3.221
  201   HG23  ILE  27          HG23      ILE  27  13.093   3.593   1.822
  202   HD11  ILE  27          HD11      ILE  27   9.245   2.551   2.662
  203   HD12  ILE  27          HD12      ILE  27   8.839   3.919   1.625
  204   HD13  ILE  27          HD13      ILE  27  10.207   4.028   2.733
  205    H    VAL  28           HN       VAL  28  12.498  -0.983   1.407
  206    HA   VAL  28           HA       VAL  28  14.991  -0.927   2.733
  207    HB   VAL  28           HB       VAL  28  13.336  -3.306   1.872
  208   HG11  VAL  28          HG11      VAL  28  14.607  -4.539   3.599
  209   HG12  VAL  28          HG12      VAL  28  15.660  -3.136   3.788
  210   HG13  VAL  28          HG13      VAL  28  15.615  -4.006   2.254
  211   HG21  VAL  28          HG21      VAL  28  12.217  -1.728   3.415
  212   HG22  VAL  28          HG22      VAL  28  13.541  -1.950   4.558
  213   HG23  VAL  28          HG23      VAL  28  12.501  -3.311   4.138
  214    H    ASN  29           HN       ASN  29  13.992  -2.250  -0.397
  215    HA   ASN  29           HA       ASN  29  16.401  -3.489  -1.091
  216    HB2  ASN  29           HB2      ASN  29  14.213  -2.278  -2.782
  217    HB3  ASN  29           HB1      ASN  29  15.587  -3.133  -3.476
  218   HD21  ASN  29          HD21      ASN  29  12.766  -3.786  -3.592
  219   HD22  ASN  29          HD22      ASN  29  12.604  -5.363  -2.906
  220    H    TRP  30           HN       TRP  30  15.289  -0.173  -1.520
  221    HA   TRP  30           HA       TRP  30  17.453   0.738  -3.079
  222    HB2  TRP  30           HB2      TRP  30  15.650   2.184  -3.141
  223    HB3  TRP  30           HB1      TRP  30  15.327   2.026  -1.419
  224    HD1  TRP  30           HD1      TRP  30  18.196   3.556  -3.572
  225    HE1  TRP  30           HE1      TRP  30  18.878   5.785  -2.479
  226    HE3  TRP  30           HE3      TRP  30  15.011   3.505   0.424
  227    HZ2  TRP  30           HZ2      TRP  30  18.155   7.321  -0.221
  228    HZ3  TRP  30           HZ3      TRP  30  15.067   5.388   2.004
  229    HH2  TRP  30           HH2      TRP  30  16.607   7.258   1.687
  230    H    LEU  31           HN       LEU  31  16.860   0.830   0.424
  231    HA   LEU  31           HA       LEU  31  19.248   2.142   1.119
  232    HB2  LEU  31           HB2      LEU  31  17.354   0.382   2.635
  233    HB3  LEU  31           HB1      LEU  31  18.816   1.000   3.382
  234    HG   LEU  31           HG       LEU  31  16.857   2.859   2.079
  235   HD11  LEU  31          HD11      LEU  31  15.792   3.172   4.247
  236   HD12  LEU  31          HD12      LEU  31  16.783   1.883   4.929
  237   HD13  LEU  31          HD13      LEU  31  15.595   1.515   3.679
  238   HD21  LEU  31          HD21      LEU  31  18.843   3.205   4.321
  239   HD22  LEU  31          HD22      LEU  31  17.828   4.467   3.623
  240   HD23  LEU  31          HD23      LEU  31  19.084   3.705   2.648
  241    H    ASN  32           HN       ASN  32  18.523  -1.212   0.459
  242    HA   ASN  32           HA       ASN  32  20.864  -2.329   1.606
  243    HB2  ASN  32           HB2      ASN  32  19.049  -3.344  -0.592
  244    HB3  ASN  32           HB1      ASN  32  20.354  -4.288   0.120
  245   HD21  ASN  32          HD21      ASN  32  17.472  -4.766   0.079
  246   HD22  ASN  32          HD22      ASN  32  16.993  -4.909   1.733
  247    H    LYS  33           HN       LYS  33  20.235  -0.608  -1.292
  248    HA   LYS  33           HA       LYS  33  22.581  -1.543  -2.692
  249    HB2  LYS  33           HB2      LYS  33  20.669  -0.938  -4.021
  250    HB3  LYS  33           HB1      LYS  33  20.579   0.647  -3.268
  251    HG2  LYS  33           HG2      LYS  33  23.085  -0.046  -4.692
  252    HG3  LYS  33           HG1      LYS  33  21.646   0.265  -5.664
  253    HD2  LYS  33           HD2      LYS  33  21.415   2.454  -4.787
  254    HD3  LYS  33           HD1      LYS  33  22.589   2.142  -3.509
  255    HE2  LYS  33           HE2      LYS  33  24.303   1.816  -5.332
  256    HE3  LYS  33           HE1      LYS  33  23.101   2.446  -6.458
  257    HZ1  LYS  33           HZ1      LYS  33  24.121   3.896  -4.076
  258    HZ2  LYS  33           HZ2      LYS  33  23.035   4.500  -5.224
  259    HZ3  LYS  33           HZ3      LYS  33  24.632   4.163  -5.666
  260    H    ARG  34           HN       ARG  34  21.733   1.020  -0.523
  261    HA   ARG  34           HA       ARG  34  23.898   2.760  -1.171
  262    HB2  ARG  34           HB2      ARG  34  22.475   2.670   1.480
  263    HB3  ARG  34           HB1      ARG  34  23.249   4.046   0.711
  264    HG2  ARG  34           HG2      ARG  34  21.446   3.683  -1.132
  265    HG3  ARG  34           HG1      ARG  34  20.601   2.798   0.142
  266    HD2  ARG  34           HD2      ARG  34  21.482   5.679   0.172
  267    HD3  ARG  34           HD1      ARG  34  19.833   5.055   0.197
  268    HE   ARG  34           HE       ARG  34  20.741   4.004   2.434
  269   HH11  ARG  34          HH11      ARG  34  21.249   7.205   1.158
  270   HH12  ARG  34          HH12      ARG  34  21.410   7.941   2.718
  271   HH21  ARG  34          HH21      ARG  34  20.953   4.962   4.493
  272   HH22  ARG  34          HH22      ARG  34  21.241   6.666   4.614
  273    H    LYS  35           HN       LYS  35  23.644  -0.135   0.625
  274    HA   LYS  35           HA       LYS  35  25.092  -1.327   1.909
  275    HB2  LYS  35           HB2      LYS  35  26.897   0.336   0.211
  276    HB3  LYS  35           HB1      LYS  35  27.605  -0.577   1.536
  277    HG2  LYS  35           HG2      LYS  35  27.766  -1.876  -0.461
  278    HG3  LYS  35           HG1      LYS  35  26.576  -2.631   0.602
  279    HD2  LYS  35           HD2      LYS  35  24.775  -1.554  -0.688
  280    HD3  LYS  35           HD1      LYS  35  25.985  -0.860  -1.770
  281    HE2  LYS  35           HE2      LYS  35  25.489  -3.801  -1.316
  282    HE3  LYS  35           HE1      LYS  35  24.981  -2.873  -2.727
  283    HZ1  LYS  35           HZ1      LYS  35  27.021  -4.118  -3.139
  284    HZ2  LYS  35           HZ2      LYS  35  27.796  -3.299  -1.879
  285    HZ3  LYS  35           HZ3      LYS  35  27.292  -2.451  -3.253
  Start of MODEL    2
    1    H1   MET   1           HT1      MET   1 -28.360  -1.458   3.210
    2    H2   MET   1           HT2      MET   1 -27.921  -2.444   1.908
    3    H3   MET   1           HT3      MET   1 -28.736  -0.989   1.628
    4    HA   MET   1           HA       MET   1 -26.862   0.263   2.475
    5    HB2  MET   1           HB2      MET   1 -26.107  -1.620   3.979
    6    HB3  MET   1           HB1      MET   1 -25.424  -2.393   2.555
    7    HG2  MET   1           HG2      MET   1 -24.013  -0.388   2.205
    8    HG3  MET   1           HG1      MET   1 -24.634   0.266   3.720
    9    HE1  MET   1           HE1      MET   1 -23.303  -2.362   6.318
   10    HE2  MET   1           HE2      MET   1 -24.841  -2.476   5.461
   11    HE3  MET   1           HE3      MET   1 -24.286  -0.918   6.075
   12    H    THR   2           HN       THR   2 -25.266   1.003   1.028
   13    HA   THR   2           HA       THR   2 -25.605  -0.034  -1.680
   14    HB   THR   2           HB       THR   2 -23.900   2.216  -1.714
   15    HG1  THR   2           HG1      THR   2 -26.130   3.203  -0.472
   16   HG21  THR   2          HG21      THR   2 -26.853   1.965  -2.299
   17   HG22  THR   2          HG22      THR   2 -25.537   1.639  -3.427
   18   HG23  THR   2          HG23      THR   2 -25.810   3.280  -2.841
   19    H    PHE   3           HN       PHE   3 -24.125  -1.238  -2.655
   20    HA   PHE   3           HA       PHE   3 -21.755  -2.071  -1.375
   21    HB2  PHE   3           HB2      PHE   3 -23.181  -3.145  -3.331
   22    HB3  PHE   3           HB1      PHE   3 -22.029  -2.282  -4.345
   23    HD1  PHE   3           HD1      PHE   3 -22.026  -4.474  -1.331
   24    HD2  PHE   3           HD2      PHE   3 -20.155  -3.431  -5.006
   25    HE1  PHE   3           HE1      PHE   3 -20.408  -6.297  -1.017
   26    HE2  PHE   3           HE2      PHE   3 -18.532  -5.255  -4.702
   27    HZ   PHE   3           HZ       PHE   3 -18.657  -6.692  -2.705
   28    H    ALA   4           HN       ALA   4 -22.442   0.448  -3.712
   29    HA   ALA   4           HA       ALA   4 -19.761   1.017  -4.427
   30    HB1  ALA   4           HB1      ALA   4 -20.639   3.097  -5.342
   31    HB2  ALA   4           HB2      ALA   4 -22.164   2.841  -4.493
   32    HB3  ALA   4           HB3      ALA   4 -21.675   1.737  -5.779
   33    H    GLU   5           HN       GLU   5 -21.933   2.295  -1.944
   34    HA   GLU   5           HA       GLU   5 -20.223   4.327  -1.004
   35    HB2  GLU   5           HB2      GLU   5 -22.429   2.787   0.375
   36    HB3  GLU   5           HB1      GLU   5 -21.603   4.160   1.100
   37    HG2  GLU   5           HG2      GLU   5 -23.202   4.212  -1.450
   38    HG3  GLU   5           HG1      GLU   5 -23.736   4.805   0.122
   39    H    LEU   6           HN       LEU   6 -20.496   0.906  -0.276
   40    HA   LEU   6           HA       LEU   6 -18.530   1.062   1.850
   41    HB2  LEU   6           HB2      LEU   6 -20.521  -0.523   1.832
   42    HB3  LEU   6           HB1      LEU   6 -19.669  -1.427   0.592
   43    HG   LEU   6           HG       LEU   6 -18.085  -0.922   3.016
   44   HD11  LEU   6          HD11      LEU   6 -20.508  -2.712   3.122
   45   HD12  LEU   6          HD12      LEU   6 -20.257  -1.239   4.058
   46   HD13  LEU   6          HD13      LEU   6 -19.226  -2.643   4.331
   47   HD21  LEU   6          HD21      LEU   6 -17.343  -2.359   1.172
   48   HD22  LEU   6          HD22      LEU   6 -18.729  -3.414   1.444
   49   HD23  LEU   6          HD23      LEU   6 -17.486  -3.255   2.684
   50    H    GLY   7           HN       GLY   7 -18.560   0.805  -1.507
   51    HA2  GLY   7           HA2      GLY   7 -16.334  -0.906  -1.925
   52    HA3  GLY   7           HA1      GLY   7 -16.972   0.257  -3.076
   53    H    MET   8           HN       MET   8 -16.605   2.633  -1.727
   54    HA   MET   8           HA       MET   8 -13.852   3.115  -2.210
   55    HB2  MET   8           HB2      MET   8 -15.974   4.827  -0.905
   56    HB3  MET   8           HB1      MET   8 -14.359   5.397  -1.302
   57    HG2  MET   8           HG2      MET   8 -16.345   4.332  -3.296
   58    HG3  MET   8           HG1      MET   8 -16.065   6.039  -2.960
   59    HE1  MET   8           HE1      MET   8 -15.940   4.981  -5.875
   60    HE2  MET   8           HE2      MET   8 -14.437   5.678  -6.480
   61    HE3  MET   8           HE3      MET   8 -15.512   6.643  -5.468
   62    H    ALA   9           HN       ALA   9 -15.763   2.990   0.790
   63    HA   ALA   9           HA       ALA   9 -13.667   3.612   2.548
   64    HB1  ALA   9           HB1      ALA   9 -16.106   1.923   3.089
   65    HB2  ALA   9           HB2      ALA   9 -16.033   3.682   3.182
   66    HB3  ALA   9           HB3      ALA   9 -15.085   2.700   4.299
   67    H    PHE  10           HN       PHE  10 -14.874   0.486   1.395
   68    HA   PHE  10           HA       PHE  10 -13.088  -1.083   2.947
   69    HB2  PHE  10           HB2      PHE  10 -15.049  -2.164   2.208
   70    HB3  PHE  10           HB1      PHE  10 -14.818  -1.638   0.547
   71    HD1  PHE  10           HD1      PHE  10 -14.550  -3.439  -0.816
   72    HD2  PHE  10           HD2      PHE  10 -12.622  -3.443   2.978
   73    HE1  PHE  10           HE1      PHE  10 -13.487  -5.591  -1.363
   74    HE2  PHE  10           HE2      PHE  10 -11.558  -5.595   2.440
   75    HZ   PHE  10           HZ       PHE  10 -11.989  -6.672   0.267
   76    H    TRP  11           HN       TRP  11 -12.983   0.096  -0.405
   77    HA   TRP  11           HA       TRP  11 -10.610  -1.254  -1.109
   78    HB2  TRP  11           HB2      TRP  11 -12.241   0.915  -2.263
   79    HB3  TRP  11           HB1      TRP  11 -10.544   0.912  -2.735
   80    HD1  TRP  11           HD1      TRP  11 -13.760  -0.526  -3.734
   81    HE1  TRP  11           HE1      TRP  11 -13.428  -2.493  -5.359
   82    HE3  TRP  11           HE3      TRP  11  -8.757  -1.309  -3.045
   83    HZ2  TRP  11           HZ2      TRP  11 -11.323  -4.160  -6.231
   84    HZ3  TRP  11           HZ3      TRP  11  -7.659  -3.111  -4.312
   85    HH2  TRP  11           HH2      TRP  11  -8.919  -4.507  -5.871
   86    H    HIS  12           HN       HIS  12 -11.200   1.942   0.262
   87    HA   HIS  12           HA       HIS  12  -8.506   2.813   0.151
   88    HB2  HIS  12           HB2      HIS  12 -10.890   3.713   1.762
   89    HB3  HIS  12           HB1      HIS  12  -9.309   4.470   1.928
   90    HD1  HIS  12           HD1      HIS  12 -10.615   3.402  -1.440
   91    HD2  HIS  12           HD2      HIS  12 -10.121   6.858   0.813
   92    HE1  HIS  12           HE1      HIS  12 -11.032   5.340  -3.011
   93    H    ASP  13           HN       ASP  13 -10.426   1.177   2.623
   94    HA   ASP  13           HA       ASP  13  -8.482   1.308   4.670
   95    HB2  ASP  13           HB2      ASP  13 -10.843   0.874   5.149
   96    HB3  ASP  13           HB1      ASP  13 -10.746  -0.659   4.289
   97    H    LEU  14           HN       LEU  14  -9.238  -1.166   2.239
   98    HA   LEU  14           HA       LEU  14  -7.255  -2.985   3.191
   99    HB2  LEU  14           HB2      LEU  14  -7.837  -4.390   1.430
  100    HB3  LEU  14           HB1      LEU  14  -9.326  -3.578   1.854
  101    HG   LEU  14           HG       LEU  14  -8.628  -1.954  -0.101
  102   HD11  LEU  14          HD11      LEU  14  -6.456  -2.952  -0.506
  103   HD12  LEU  14          HD12      LEU  14  -7.502  -3.185  -1.907
  104   HD13  LEU  14          HD13      LEU  14  -7.207  -4.520  -0.792
  105   HD21  LEU  14          HD21      LEU  14  -9.734  -4.718  -0.586
  106   HD22  LEU  14          HD22      LEU  14  -9.959  -3.307  -1.620
  107   HD23  LEU  14          HD23      LEU  14 -10.658  -3.334   0.000
  108    H    ALA  15           HN       ALA  15  -7.295  -0.361   0.912
  109    HA   ALA  15           HA       ALA  15  -4.886  -1.033  -0.438
  110    HB1  ALA  15           HB1      ALA  15  -6.572   0.460  -1.407
  111    HB2  ALA  15           HB2      ALA  15  -4.976   1.209  -1.355
  112    HB3  ALA  15           HB3      ALA  15  -6.204   1.665  -0.173
  113    H    ALA  16           HN       ALA  16  -5.610   0.839   2.448
  114    HA   ALA  16           HA       ALA  16  -3.322   2.299   2.798
  115    HB1  ALA  16           HB1      ALA  16  -4.583   0.856   5.106
  116    HB2  ALA  16           HB2      ALA  16  -5.402   2.175   4.274
  117    HB3  ALA  16           HB3      ALA  16  -3.853   2.461   5.068
  118    HA   PRO  17           HA       PRO  17  -0.986  -1.402   4.817
  119    HB2  PRO  17           HB2      PRO  17  -2.023  -3.897   4.578
  120    HB3  PRO  17           HB1      PRO  17  -2.461  -2.811   5.912
  121    HG2  PRO  17           HG2      PRO  17  -3.957  -3.407   3.405
  122    HG3  PRO  17           HG1      PRO  17  -4.556  -3.259   5.070
  123    HD2  PRO  17           HD2      PRO  17  -4.776  -1.261   3.258
  124    HD3  PRO  17           HD1      PRO  17  -4.595  -0.970   4.997
  125    H    VAL  18           HN       VAL  18  -2.699  -1.881   1.805
  126    HA   VAL  18           HA       VAL  18  -0.848  -3.692   0.623
  127    HB   VAL  18           HB       VAL  18  -2.923  -1.873  -0.604
  128   HG11  VAL  18          HG11      VAL  18  -1.200  -2.267  -2.258
  129   HG12  VAL  18          HG12      VAL  18  -2.642  -3.198  -2.663
  130   HG13  VAL  18          HG13      VAL  18  -1.250  -4.000  -1.936
  131   HG21  VAL  18          HG21      VAL  18  -3.595  -3.832   0.882
  132   HG22  VAL  18          HG22      VAL  18  -2.974  -4.870  -0.402
  133   HG23  VAL  18          HG23      VAL  18  -4.310  -3.765  -0.729
  134    H    ILE  19           HN       ILE  19  -1.332  -0.188   0.322
  135    HA   ILE  19           HA       ILE  19   0.831   0.222  -1.469
  136    HB   ILE  19           HB       ILE  19  -0.464   2.250   0.355
  137   HG12  ILE  19          HG12      ILE  19  -1.205   1.760  -2.519
  138   HG13  ILE  19          HG11      ILE  19  -1.973   0.849  -1.222
  139   HG21  ILE  19          HG21      ILE  19   1.067   2.555  -2.226
  140   HG22  ILE  19          HG22      ILE  19   1.620   3.023  -0.618
  141   HG23  ILE  19          HG23      ILE  19   0.256   3.860  -1.360
  142   HD11  ILE  19          HD11      ILE  19  -3.302   2.774  -1.917
  143   HD12  ILE  19          HD12      ILE  19  -1.972   3.846  -1.478
  144   HD13  ILE  19          HD13      ILE  19  -2.791   2.900  -0.234
  145    H    ALA  20           HN       ALA  20   0.472   0.509   2.039
  146    HA   ALA  20           HA       ALA  20   3.007   1.634   2.551
  147    HB1  ALA  20           HB1      ALA  20   1.172   1.683   4.171
  148    HB2  ALA  20           HB2      ALA  20   2.633   0.982   4.866
  149    HB3  ALA  20           HB3      ALA  20   1.303  -0.065   4.370
  150    H    GLY  21           HN       GLY  21   1.908  -1.690   2.195
  151    HA2  GLY  21           HA2      GLY  21   4.266  -2.925   3.188
  152    HA3  GLY  21           HA1      GLY  21   3.051  -3.686   2.172
  153    H    ILE  22           HN       ILE  22   3.192  -2.145  -0.106
  154    HA   ILE  22           HA       ILE  22   5.476  -3.239  -1.381
  155    HB   ILE  22           HB       ILE  22   3.572  -1.127  -2.403
  156   HG12  ILE  22          HG12      ILE  22   3.555  -4.115  -2.878
  157   HG13  ILE  22          HG11      ILE  22   2.526  -3.299  -1.706
  158   HG21  ILE  22          HG21      ILE  22   4.330  -1.841  -4.629
  159   HG22  ILE  22          HG22      ILE  22   5.510  -2.912  -3.873
  160   HG23  ILE  22          HG23      ILE  22   5.645  -1.166  -3.667
  161   HD11  ILE  22          HD11      ILE  22   2.510  -2.849  -4.682
  162   HD12  ILE  22          HD12      ILE  22   1.477  -2.034  -3.507
  163   HD13  ILE  22          HD13      ILE  22   1.324  -3.773  -3.758
  164    H    LEU  23           HN       LEU  23   4.664  -0.011  -0.209
  165    HA   LEU  23           HA       LEU  23   6.834   1.361  -1.366
  166    HB2  LEU  23           HB2      LEU  23   5.012   2.636  -0.528
  167    HB3  LEU  23           HB1      LEU  23   5.145   1.914   1.064
  168    HG   LEU  23           HG       LEU  23   7.256   3.095   1.442
  169   HD11  LEU  23          HD11      LEU  23   6.765   4.303  -1.276
  170   HD12  LEU  23          HD12      LEU  23   8.067   3.195  -0.847
  171   HD13  LEU  23          HD13      LEU  23   8.013   4.809  -0.138
  172   HD21  LEU  23          HD21      LEU  23   5.132   4.150   2.079
  173   HD22  LEU  23          HD22      LEU  23   5.062   4.938   0.503
  174   HD23  LEU  23          HD23      LEU  23   6.355   5.340   1.632
  175    H    ALA  24           HN       ALA  24   6.480  -0.402   1.659
  176    HA   ALA  24           HA       ALA  24   8.927   0.355   2.829
  177    HB1  ALA  24           HB1      ALA  24   7.336  -2.182   3.192
  178    HB2  ALA  24           HB2      ALA  24   7.147  -0.692   4.115
  179    HB3  ALA  24           HB3      ALA  24   8.636  -1.628   4.248
  180    H    SER  25           HN       SER  25   8.070  -2.177   0.541
  181    HA   SER  25           HA       SER  25  10.473  -3.631   0.642
  182    HB2  SER  25           HB2      SER  25   8.551  -3.263  -1.670
  183    HB3  SER  25           HB1      SER  25   9.813  -4.492  -1.586
  184    HG   SER  25           HG       SER  25   8.260  -5.615  -0.701
  185    H    MET  26           HN       MET  26   9.449  -0.965  -1.479
  186    HA   MET  26           HA       MET  26  11.746  -0.840  -3.059
  187    HB2  MET  26           HB2      MET  26   9.930   1.431  -2.228
  188    HB3  MET  26           HB1      MET  26  11.066   1.471  -3.570
  189    HG2  MET  26           HG2      MET  26   9.799  -0.466  -4.555
  190    HG3  MET  26           HG1      MET  26   8.583  -0.198  -3.307
  191    HE1  MET  26           HE1      MET  26   8.707   3.004  -3.064
  192    HE2  MET  26           HE2      MET  26   7.198   2.091  -3.073
  193    HE3  MET  26           HE3      MET  26   7.405   3.463  -4.161
  194    H    ILE  27           HN       ILE  27  11.021   0.672   0.056
  195    HA   ILE  27           HA       ILE  27  13.323   2.289   0.205
  196    HB   ILE  27           HB       ILE  27  11.719   1.070   2.460
  197   HG12  ILE  27          HG12      ILE  27  11.581   3.816   1.190
  198   HG13  ILE  27          HG11      ILE  27  10.415   2.521   0.940
  199   HG21  ILE  27          HG21      ILE  27  13.721   3.328   2.486
  200   HG22  ILE  27          HG22      ILE  27  13.916   1.743   3.235
  201   HG23  ILE  27          HG23      ILE  27  12.695   2.860   3.842
  202   HD11  ILE  27          HD11      ILE  27  10.989   3.913   3.545
  203   HD12  ILE  27          HD12      ILE  27   9.840   2.595   3.317
  204   HD13  ILE  27          HD13      ILE  27   9.573   4.145   2.519
  205    H    VAL  28           HN       VAL  28  12.673  -1.003   1.372
  206    HA   VAL  28           HA       VAL  28  15.171  -1.415   2.598
  207    HB   VAL  28           HB       VAL  28  13.303  -3.458   1.384
  208   HG11  VAL  28          HG11      VAL  28  15.608  -3.814   3.297
  209   HG12  VAL  28          HG12      VAL  28  15.525  -4.395   1.634
  210   HG13  VAL  28          HG13      VAL  28  14.449  -5.067   2.858
  211   HG21  VAL  28          HG21      VAL  28  12.501  -3.768   3.660
  212   HG22  VAL  28          HG22      VAL  28  12.292  -2.091   3.156
  213   HG23  VAL  28          HG23      VAL  28  13.615  -2.528   4.237
  214    H    ASN  29           HN       ASN  29  14.044  -2.171  -0.692
  215    HA   ASN  29           HA       ASN  29  16.372  -3.451  -1.576
  216    HB2  ASN  29           HB2      ASN  29  14.172  -1.988  -3.010
  217    HB3  ASN  29           HB1      ASN  29  15.554  -2.629  -3.893
  218   HD21  ASN  29          HD21      ASN  29  12.565  -3.324  -2.444
  219   HD22  ASN  29          HD22      ASN  29  12.566  -5.031  -2.704
  220    H    TRP  30           HN       TRP  30  15.489  -0.041  -1.504
  221    HA   TRP  30           HA       TRP  30  17.677   0.901  -3.027
  222    HB2  TRP  30           HB2      TRP  30  15.917   2.421  -2.848
  223    HB3  TRP  30           HB1      TRP  30  15.736   2.162  -1.118
  224    HD1  TRP  30           HD1      TRP  30  18.585   3.571  -3.375
  225    HE1  TRP  30           HE1      TRP  30  19.507   5.684  -2.231
  226    HE3  TRP  30           HE3      TRP  30  15.605   3.610   0.778
  227    HZ2  TRP  30           HZ2      TRP  30  19.032   7.172   0.123
  228    HZ3  TRP  30           HZ3      TRP  30  15.903   5.409   2.428
  229    HH2  TRP  30           HH2      TRP  30  17.582   7.154   2.106
  230    H    LEU  31           HN       LEU  31  17.155   0.742   0.491
  231    HA   LEU  31           HA       LEU  31  19.685   1.749   1.200
  232    HB2  LEU  31           HB2      LEU  31  17.611   0.150   2.653
  233    HB3  LEU  31           HB1      LEU  31  19.151   0.522   3.408
  234    HG   LEU  31           HG       LEU  31  17.439   2.700   2.258
  235   HD11  LEU  31          HD11      LEU  31  17.270   1.567   5.044
  236   HD12  LEU  31          HD12      LEU  31  16.027   1.445   3.800
  237   HD13  LEU  31          HD13      LEU  31  16.457   3.020   4.465
  238   HD21  LEU  31          HD21      LEU  31  18.634   4.062   3.887
  239   HD22  LEU  31          HD22      LEU  31  19.759   3.219   2.822
  240   HD23  LEU  31          HD23      LEU  31  19.493   2.634   4.464
  241    H    ASN  32           HN       ASN  32  18.587  -1.452   0.365
  242    HA   ASN  32           HA       ASN  32  20.860  -2.837   1.408
  243    HB2  ASN  32           HB2      ASN  32  18.643  -3.638  -0.467
  244    HB3  ASN  32           HB1      ASN  32  19.954  -4.731  -0.038
  245   HD21  ASN  32          HD21      ASN  32  18.460  -6.142   0.910
  246   HD22  ASN  32          HD22      ASN  32  17.767  -5.816   2.459
  247    H    LYS  33           HN       LYS  33  20.350  -1.017  -1.454
  248    HA   LYS  33           HA       LYS  33  22.530  -2.424  -2.825
  249    HB2  LYS  33           HB2      LYS  33  21.813  -1.452  -4.849
  250    HB3  LYS  33           HB1      LYS  33  20.340  -1.918  -4.013
  251    HG2  LYS  33           HG2      LYS  33  19.661   0.146  -4.541
  252    HG3  LYS  33           HG1      LYS  33  20.637   0.636  -3.156
  253    HD2  LYS  33           HD2      LYS  33  22.545   1.027  -4.652
  254    HD3  LYS  33           HD1      LYS  33  21.546   0.565  -6.032
  255    HE2  LYS  33           HE2      LYS  33  21.104   2.912  -4.190
  256    HE3  LYS  33           HE1      LYS  33  21.656   2.977  -5.863
  257    HZ1  LYS  33           HZ1      LYS  33  19.311   3.487  -5.713
  258    HZ2  LYS  33           HZ2      LYS  33  19.001   2.013  -4.944
  259    HZ3  LYS  33           HZ3      LYS  33  19.530   2.033  -6.551
  260    H    ARG  34           HN       ARG  34  21.741   0.597  -1.293
  261    HA   ARG  34           HA       ARG  34  24.074   1.955  -2.328
  262    HB2  ARG  34           HB2      ARG  34  23.379   3.818  -0.914
  263    HB3  ARG  34           HB1      ARG  34  22.023   3.216  -1.857
  264    HG2  ARG  34           HG2      ARG  34  21.048   2.177   0.023
  265    HG3  ARG  34           HG1      ARG  34  22.514   2.378   0.985
  266    HD2  ARG  34           HD2      ARG  34  20.775   4.616  -0.047
  267    HD3  ARG  34           HD1      ARG  34  20.759   3.990   1.600
  268    HE   ARG  34           HE       ARG  34  23.375   4.780   0.887
  269   HH11  ARG  34          HH11      ARG  34  20.258   6.097   1.714
  270   HH12  ARG  34          HH12      ARG  34  20.907   7.569   2.357
  271   HH21  ARG  34          HH21      ARG  34  24.239   6.715   1.735
  272   HH22  ARG  34          HH22      ARG  34  23.168   7.919   2.371
  273    H    LYS  35           HN       LYS  35  24.155  -0.549  -0.561
  274    HA   LYS  35           HA       LYS  35  25.293   0.156   1.917
  275    HB2  LYS  35           HB2      LYS  35  26.238  -2.202   1.829
  276    HB3  LYS  35           HB1      LYS  35  24.491  -2.055   1.707
  277    HG2  LYS  35           HG2      LYS  35  24.712  -2.256  -0.763
  278    HG3  LYS  35           HG1      LYS  35  26.432  -2.575  -0.533
  279    HD2  LYS  35           HD2      LYS  35  25.834  -4.507   0.902
  280    HD3  LYS  35           HD1      LYS  35  24.134  -4.214   0.532
  281    HE2  LYS  35           HE2      LYS  35  25.026  -5.973  -0.888
  282    HE3  LYS  35           HE1      LYS  35  24.596  -4.558  -1.848
  283    HZ1  LYS  35           HZ1      LYS  35  27.338  -5.280  -0.960
  284    HZ2  LYS  35           HZ2      LYS  35  26.929  -3.918  -1.875
  285    HZ3  LYS  35           HZ3      LYS  35  26.724  -5.467  -2.526
  Start of MODEL    3
    1    H1   MET   1           HT1      MET   1  27.930  -1.945  -1.149
    2    H2   MET   1           HT2      MET   1  27.449  -2.663  -2.603
    3    H3   MET   1           HT3      MET   1  26.789  -3.195  -1.139
    4    HA   MET   1           HA       MET   1  26.421  -0.506  -2.324
    5    HB2  MET   1           HB2      MET   1  24.101  -1.207  -2.695
    6    HB3  MET   1           HB1      MET   1  25.225  -2.237  -3.570
    7    HG2  MET   1           HG2      MET   1  25.031  -3.903  -1.739
    8    HG3  MET   1           HG1      MET   1  23.787  -2.888  -1.009
    9    HE1  MET   1           HE1      MET   1  23.379  -4.985  -5.099
   10    HE2  MET   1           HE2      MET   1  24.790  -5.120  -4.050
   11    HE3  MET   1           HE3      MET   1  24.428  -3.589  -4.849
   12    H    THR   2           HN       THR   2  25.196   0.929  -1.131
   13    HA   THR   2           HA       THR   2  25.316   0.581   1.714
   14    HB   THR   2           HB       THR   2  23.720   2.842   1.088
   15    HG1  THR   2           HG1      THR   2  25.605   3.763  -0.297
   16   HG21  THR   2          HG21      THR   2  25.672   4.079   1.924
   17   HG22  THR   2          HG22      THR   2  26.647   2.614   1.800
   18   HG23  THR   2          HG23      THR   2  25.303   2.685   2.940
   19    H    PHE   3           HN       PHE   3  23.800  -0.143   3.032
   20    HA   PHE   3           HA       PHE   3  21.373  -1.220   2.099
   21    HB2  PHE   3           HB2      PHE   3  22.767  -1.733   4.258
   22    HB3  PHE   3           HB1      PHE   3  21.770  -0.471   4.975
   23    HD1  PHE   3           HD1      PHE   3  21.326  -3.461   2.804
   24    HD2  PHE   3           HD2      PHE   3  19.892  -1.169   6.087
   25    HE1  PHE   3           HE1      PHE   3  19.531  -5.107   3.161
   26    HE2  PHE   3           HE2      PHE   3  18.094  -2.810   6.454
   27    HZ   PHE   3           HZ       PHE   3  17.911  -4.783   4.990
   28    H    ALA   4           HN       ALA   4  22.217   1.878   3.506
   29    HA   ALA   4           HA       ALA   4  19.596   2.782   4.047
   30    HB1  ALA   4           HB1      ALA   4  20.585   5.007   4.171
   31    HB2  ALA   4           HB2      ALA   4  22.062   4.404   3.419
   32    HB3  ALA   4           HB3      ALA   4  21.586   3.827   5.016
   33    H    GLU   5           HN       GLU   5  21.660   2.962   1.196
   34    HA   GLU   5           HA       GLU   5  19.953   4.659  -0.312
   35    HB2  GLU   5           HB2      GLU   5  22.102   2.721  -1.187
   36    HB3  GLU   5           HB1      GLU   5  21.300   3.860  -2.260
   37    HG2  GLU   5           HG2      GLU   5  22.974   4.570   0.138
   38    HG3  GLU   5           HG1      GLU   5  23.471   4.684  -1.550
   39    H    LEU   6           HN       LEU   6  20.384   1.142  -0.154
   40    HA   LEU   6           HA       LEU   6  18.321   0.651  -2.102
   41    HB2  LEU   6           HB2      LEU   6  20.385  -0.805  -1.563
   42    HB3  LEU   6           HB1      LEU   6  19.445  -1.386  -0.201
   43    HG   LEU   6           HG       LEU   6  18.100  -1.519  -2.832
   44   HD11  LEU   6          HD11      LEU   6  20.408  -3.327  -2.129
   45   HD12  LEU   6          HD12      LEU   6  20.358  -2.171  -3.460
   46   HD13  LEU   6          HD13      LEU   6  19.281  -3.567  -3.464
   47   HD21  LEU   6          HD21      LEU   6  18.421  -3.463  -0.547
   48   HD22  LEU   6          HD22      LEU   6  17.355  -3.664  -1.938
   49   HD23  LEU   6          HD23      LEU   6  17.063  -2.364  -0.784
   50    H    GLY   7           HN       GLY   7  18.393   1.383   1.190
   51    HA2  GLY   7           HA2      GLY   7  16.206  -0.180   2.112
   52    HA3  GLY   7           HA1      GLY   7  16.840   1.264   2.883
   53    H    MET   8           HN       MET   8  16.406   3.174   0.949
   54    HA   MET   8           HA       MET   8  13.637   3.693   1.322
   55    HB2  MET   8           HB2      MET   8  15.708   5.094  -0.374
   56    HB3  MET   8           HB1      MET   8  14.077   5.696  -0.109
   57    HG2  MET   8           HG2      MET   8  16.164   5.246   2.013
   58    HG3  MET   8           HG1      MET   8  15.680   6.803   1.343
   59    HE1  MET   8           HE1      MET   8  15.305   7.652   3.875
   60    HE2  MET   8           HE2      MET   8  15.740   6.055   4.485
   61    HE3  MET   8           HE3      MET   8  14.249   6.829   5.023
   62    H    ALA   9           HN       ALA   9  15.573   2.799  -1.516
   63    HA   ALA   9           HA       ALA   9  13.487   2.917  -3.400
   64    HB1  ALA   9           HB1      ALA   9  15.941   1.165  -3.462
   65    HB2  ALA   9           HB2      ALA   9  15.870   2.842  -4.003
   66    HB3  ALA   9           HB3      ALA   9  14.932   1.605  -4.840
   67    H    PHE  10           HN       PHE  10  14.725   0.243  -1.439
   68    HA   PHE  10           HA       PHE  10  12.982  -1.722  -2.517
   69    HB2  PHE  10           HB2      PHE  10  14.954  -2.523  -1.499
   70    HB3  PHE  10           HB1      PHE  10  14.689  -1.579  -0.040
   71    HD1  PHE  10           HD1      PHE  10  12.668  -4.070  -1.962
   72    HD2  PHE  10           HD2      PHE  10  14.322  -2.889   1.776
   73    HE1  PHE  10           HE1      PHE  10  11.626  -6.023  -0.888
   74    HE2  PHE  10           HE2      PHE  10  13.282  -4.836   2.860
   75    HZ   PHE  10           HZ       PHE  10  11.931  -6.409   1.526
   76    H    TRP  11           HN       TRP  11  12.830   0.311   0.397
   77    HA   TRP  11           HA       TRP  11  10.469  -0.838   1.427
   78    HB2  TRP  11           HB2      TRP  11  12.067   1.575   1.975
   79    HB3  TRP  11           HB1      TRP  11  10.363   1.699   2.397
   80    HD1  TRP  11           HD1      TRP  11  13.531   0.660   3.861
   81    HE1  TRP  11           HE1      TRP  11  13.162  -0.818   5.936
   82    HE3  TRP  11           HE3      TRP  11   8.586  -0.448   3.195
   83    HZ2  TRP  11           HZ2      TRP  11  11.051  -2.264   7.131
   84    HZ3  TRP  11           HZ3      TRP  11   7.466  -1.885   4.847
   85    HH2  TRP  11           HH2      TRP  11   8.674  -2.775   6.774
   86    H    HIS  12           HN       HIS  12  11.017   1.924  -0.701
   87    HA   HIS  12           HA       HIS  12   8.305   2.725  -0.851
   88    HB2  HIS  12           HB2      HIS  12  10.687   3.240  -2.633
   89    HB3  HIS  12           HB1      HIS  12   9.097   3.926  -2.954
   90    HD1  HIS  12           HD1      HIS  12  10.260   3.717   0.595
   91    HD2  HIS  12           HD2      HIS  12  10.091   6.495  -2.490
   92    HE1  HIS  12           HE1      HIS  12  10.749   5.968   1.640
   93    H    ASP  13           HN       ASP  13  10.303   0.559  -2.790
   94    HA   ASP  13           HA       ASP  13   8.395   0.129  -4.836
   95    HB2  ASP  13           HB2      ASP  13  10.740  -0.323  -5.235
   96    HB3  ASP  13           HB1      ASP  13  10.759  -1.535  -3.958
   97    H    LEU  14           HN       LEU  14   9.184  -1.650  -1.865
   98    HA   LEU  14           HA       LEU  14   7.305  -3.738  -2.382
   99    HB2  LEU  14           HB2      LEU  14   7.903  -4.648  -0.326
  100    HB3  LEU  14           HB1      LEU  14   9.365  -3.878  -0.897
  101    HG   LEU  14           HG       LEU  14   8.471  -1.874   0.596
  102   HD11  LEU  14          HD11      LEU  14   7.407  -4.273   2.067
  103   HD12  LEU  14          HD12      LEU  14   6.389  -3.180   1.130
  104   HD13  LEU  14          HD13      LEU  14   7.283  -2.573   2.526
  105   HD21  LEU  14          HD21      LEU  14   9.826  -2.804   2.453
  106   HD22  LEU  14          HD22      LEU  14  10.620  -2.918   0.883
  107   HD23  LEU  14          HD23      LEU  14   9.875  -4.346   1.599
  108    H    ALA  15           HN       ALA  15   7.176  -0.653  -0.784
  109    HA   ALA  15           HA       ALA  15   4.760  -1.102   0.641
  110    HB1  ALA  15           HB1      ALA  15   6.371   0.654   1.246
  111    HB2  ALA  15           HB2      ALA  15   4.738   1.282   1.027
  112    HB3  ALA  15           HB3      ALA  15   5.952   1.525  -0.230
  113    H    ALA  16           HN       ALA  16   5.495   0.076  -2.586
  114    HA   ALA  16           HA       ALA  16   3.151   1.295  -3.311
  115    HB1  ALA  16           HB1      ALA  16   5.222   1.073  -4.696
  116    HB2  ALA  16           HB2      ALA  16   3.710   0.856  -5.580
  117    HB3  ALA  16           HB3      ALA  16   4.681  -0.547  -5.135
  118    HA   PRO  17           HA       PRO  17   1.076  -2.892  -4.517
  119    HB2  PRO  17           HB2      PRO  17   2.210  -5.204  -3.662
  120    HB3  PRO  17           HB1      PRO  17   2.655  -4.441  -5.201
  121    HG2  PRO  17           HG2      PRO  17   4.068  -4.348  -2.579
  122    HG3  PRO  17           HG1      PRO  17   4.730  -4.567  -4.212
  123    HD2  PRO  17           HD2      PRO  17   4.792  -2.189  -2.931
  124    HD3  PRO  17           HD1      PRO  17   4.654  -2.326  -4.692
  125    H    VAL  18           HN       VAL  18   2.687  -2.601  -1.425
  126    HA   VAL  18           HA       VAL  18   0.862  -4.171   0.089
  127    HB   VAL  18           HB       VAL  18   2.824  -2.028   0.911
  128   HG11  VAL  18          HG11      VAL  18   1.047  -2.104   2.561
  129   HG12  VAL  18          HG12      VAL  18   2.516  -2.827   3.215
  130   HG13  VAL  18          HG13      VAL  18   1.193  -3.858   2.670
  131   HG21  VAL  18          HG21      VAL  18   4.246  -3.808   1.567
  132   HG22  VAL  18          HG22      VAL  18   3.662  -4.206  -0.048
  133   HG23  VAL  18          HG23      VAL  18   2.963  -5.001   1.362
  134    H    ILE  19           HN       ILE  19   1.191  -0.679  -0.431
  135    HA   ILE  19           HA       ILE  19  -1.039   0.045   1.169
  136    HB   ILE  19           HB       ILE  19   0.228   1.632  -1.066
  137   HG12  ILE  19          HG12      ILE  19   0.887   1.909   1.855
  138   HG13  ILE  19          HG11      ILE  19   1.737   0.742   0.848
  139   HG21  ILE  19          HG21      ILE  19  -1.397   2.491   1.325
  140   HG22  ILE  19          HG22      ILE  19  -1.925   2.506  -0.358
  141   HG23  ILE  19          HG23      ILE  19  -0.625   3.574   0.167
  142   HD11  ILE  19          HD11      ILE  19   1.603   3.705   0.347
  143   HD12  ILE  19          HD12      ILE  19   2.496   2.522  -0.609
  144   HD13  ILE  19          HD13      ILE  19   2.963   2.839   1.061
  145    H    ALA  20           HN       ALA  20  -0.577  -0.468  -2.302
  146    HA   ALA  20           HA       ALA  20  -3.119   0.380  -3.145
  147    HB1  ALA  20           HB1      ALA  20  -2.650  -0.771  -5.208
  148    HB2  ALA  20           HB2      ALA  20  -1.387  -1.727  -4.432
  149    HB3  ALA  20           HB3      ALA  20  -1.175   0.012  -4.638
  150    H    GLY  21           HN       GLY  21  -1.951  -2.720  -1.946
  151    HA2  GLY  21           HA2      GLY  21  -4.272  -4.221  -2.599
  152    HA3  GLY  21           HA1      GLY  21  -3.049  -4.671  -1.419
  153    H    ILE  22           HN       ILE  22  -3.238  -2.600   0.391
  154    HA   ILE  22           HA       ILE  22  -5.513  -3.372   1.899
  155    HB   ILE  22           HB       ILE  22  -3.678  -1.010   2.340
  156   HG12  ILE  22          HG12      ILE  22  -3.582  -3.752   3.613
  157   HG13  ILE  22          HG11      ILE  22  -2.570  -3.270   2.256
  158   HG21  ILE  22          HG21      ILE  22  -4.451  -1.120   4.663
  159   HG22  ILE  22          HG22      ILE  22  -5.569  -2.413   4.227
  160   HG23  ILE  22          HG23      ILE  22  -5.781  -0.798   3.551
  161   HD11  ILE  22          HD11      ILE  22  -1.589  -1.501   3.639
  162   HD12  ILE  22          HD12      ILE  22  -1.349  -3.104   4.332
  163   HD13  ILE  22          HD13      ILE  22  -2.580  -2.031   4.998
  164    H    LEU  23           HN       LEU  23  -4.763  -0.599  -0.129
  165    HA   LEU  23           HA       LEU  23  -6.927   1.037   0.598
  166    HB2  LEU  23           HB2      LEU  23  -5.091   1.956  -0.643
  167    HB3  LEU  23           HB1      LEU  23  -5.346   0.828  -1.960
  168    HG   LEU  23           HG       LEU  23  -7.432   1.935  -2.551
  169   HD11  LEU  23          HD11      LEU  23  -8.072   4.044  -1.448
  170   HD12  LEU  23          HD12      LEU  23  -6.819   3.769  -0.238
  171   HD13  LEU  23          HD13      LEU  23  -8.180   2.654  -0.369
  172   HD21  LEU  23          HD21      LEU  23  -5.153   3.879  -2.209
  173   HD22  LEU  23          HD22      LEU  23  -6.511   4.061  -3.320
  174   HD23  LEU  23          HD23      LEU  23  -5.358   2.746  -3.545
  175    H    ALA  24           HN       ALA  24  -6.599  -1.538  -1.779
  176    HA   ALA  24           HA       ALA  24  -9.064  -1.214  -3.080
  177    HB1  ALA  24           HB1      ALA  24  -7.330  -2.608  -4.013
  178    HB2  ALA  24           HB2      ALA  24  -8.782  -3.577  -3.755
  179    HB3  ALA  24           HB3      ALA  24  -7.424  -3.705  -2.636
  180    H    SER  25           HN       SER  25  -8.179  -2.891  -0.117
  181    HA   SER  25           HA       SER  25 -10.613  -4.264   0.276
  182    HB2  SER  25           HB2      SER  25  -8.607  -4.878   1.520
  183    HB3  SER  25           HB1      SER  25  -8.572  -3.294   2.294
  184    HG   SER  25           HG       SER  25 -10.056  -3.930   3.647
  185    H    MET  26           HN       MET  26  -9.502  -1.045   1.186
  186    HA   MET  26           HA       MET  26 -11.771  -0.400   2.778
  187    HB2  MET  26           HB2      MET  26  -9.774   1.406   1.398
  188    HB3  MET  26           HB1      MET  26 -10.956   1.934   2.587
  189    HG2  MET  26           HG2      MET  26  -9.892   0.304   4.187
  190    HG3  MET  26           HG1      MET  26  -8.603   0.118   3.001
  191    HE1  MET  26           HE1      MET  26  -8.368   3.060   1.806
  192    HE2  MET  26           HE2      MET  26  -6.980   2.069   2.257
  193    HE3  MET  26           HE3      MET  26  -7.107   3.729   2.841
  194    H    ILE  27           HN       ILE  27 -10.961   0.066  -0.637
  195    HA   ILE  27           HA       ILE  27 -13.131   1.729  -1.287
  196    HB   ILE  27           HB       ILE  27 -11.739  -0.313  -3.031
  197   HG12  ILE  27          HG12      ILE  27 -11.318   2.672  -2.752
  198   HG13  ILE  27          HG11      ILE  27 -10.250   1.429  -2.111
  199   HG21  ILE  27          HG21      ILE  27 -13.918   0.271  -3.939
  200   HG22  ILE  27          HG22      ILE  27 -12.634   0.978  -4.920
  201   HG23  ILE  27          HG23      ILE  27 -13.538   1.987  -3.792
  202   HD11  ILE  27          HD11      ILE  27  -9.321   2.310  -4.133
  203   HD12  ILE  27          HD12      ILE  27 -10.822   2.002  -5.006
  204   HD13  ILE  27          HD13      ILE  27  -9.848   0.651  -4.423
  205    H    VAL  28           HN       VAL  28 -12.782  -1.777  -1.166
  206    HA   VAL  28           HA       VAL  28 -15.383  -2.383  -2.116
  207    HB   VAL  28           HB       VAL  28 -13.511  -4.041  -0.421
  208   HG11  VAL  28          HG11      VAL  28 -16.016  -4.822  -1.908
  209   HG12  VAL  28          HG12      VAL  28 -15.755  -4.872  -0.165
  210   HG13  VAL  28          HG13      VAL  28 -14.858  -5.962  -1.222
  211   HG21  VAL  28          HG21      VAL  28 -12.601  -3.411  -2.613
  212   HG22  VAL  28          HG22      VAL  28 -14.032  -4.086  -3.393
  213   HG23  VAL  28          HG23      VAL  28 -12.927  -5.141  -2.512
  214    H    ASN  29           HN       ASN  29 -14.026  -2.408   1.197
  215    HA   ASN  29           HA       ASN  29 -16.441  -3.006   2.478
  216    HB2  ASN  29           HB2      ASN  29 -15.360  -2.345   4.541
  217    HB3  ASN  29           HB1      ASN  29 -14.222  -3.235   3.550
  218   HD21  ASN  29          HD21      ASN  29 -12.452  -2.419   4.561
  219   HD22  ASN  29          HD22      ASN  29 -11.946  -0.775   4.404
  220    H    TRP  30           HN       TRP  30 -15.199  -0.019   1.236
  221    HA   TRP  30           HA       TRP  30 -16.918   1.716   2.701
  222    HB2  TRP  30           HB2      TRP  30 -15.056   2.800   1.799
  223    HB3  TRP  30           HB1      TRP  30 -15.217   1.996   0.243
  224    HD1  TRP  30           HD1      TRP  30 -17.456   4.470   2.260
  225    HE1  TRP  30           HE1      TRP  30 -18.302   6.264   0.620
  226    HE3  TRP  30           HE3      TRP  30 -15.235   2.770  -2.018
  227    HZ2  TRP  30           HZ2      TRP  30 -18.062   6.876  -2.127
  228    HZ3  TRP  30           HZ3      TRP  30 -15.593   4.013  -4.109
  229    HH2  TRP  30           HH2      TRP  30 -16.978   6.026  -4.161
  230    H    LEU  31           HN       LEU  31 -17.021   0.430  -0.615
  231    HA   LEU  31           HA       LEU  31 -19.542   1.510  -1.261
  232    HB2  LEU  31           HB2      LEU  31 -17.845  -0.672  -2.397
  233    HB3  LEU  31           HB1      LEU  31 -19.489  -0.463  -2.974
  234    HG   LEU  31           HG       LEU  31 -17.462   1.767  -2.986
  235   HD11  LEU  31          HD11      LEU  31 -18.164  -0.145  -5.206
  236   HD12  LEU  31          HD12      LEU  31 -16.625  -0.070  -4.348
  237   HD13  LEU  31          HD13      LEU  31 -17.140   1.282  -5.356
  238   HD21  LEU  31          HD21      LEU  31 -20.042   1.375  -4.499
  239   HD22  LEU  31          HD22      LEU  31 -18.980   2.780  -4.583
  240   HD23  LEU  31          HD23      LEU  31 -19.834   2.409  -3.086
  241    H    ASN  32           HN       ASN  32 -18.565  -1.333   0.463
  242    HA   ASN  32           HA       ASN  32 -20.960  -2.816   0.230
  243    HB2  ASN  32           HB2      ASN  32 -18.722  -2.878   2.248
  244    HB3  ASN  32           HB1      ASN  32 -20.093  -3.979   2.320
  245   HD21  ASN  32          HD21      ASN  32 -20.335  -4.153  -0.576
  246   HD22  ASN  32          HD22      ASN  32 -19.030  -5.153  -1.106
  247    H    LYS  33           HN       LYS  33 -19.852  -0.427   2.601
  248    HA   LYS  33           HA       LYS  33 -22.106  -0.796   4.322
  249    HB2  LYS  33           HB2      LYS  33 -21.267   1.053   5.586
  250    HB3  LYS  33           HB1      LYS  33 -19.896   0.071   5.091
  251    HG2  LYS  33           HG2      LYS  33 -18.949   1.796   4.078
  252    HG3  LYS  33           HG1      LYS  33 -20.410   2.120   3.143
  253    HD2  LYS  33           HD2      LYS  33 -21.344   3.331   5.079
  254    HD3  LYS  33           HD1      LYS  33 -19.834   3.059   5.950
  255    HE2  LYS  33           HE2      LYS  33 -19.908   5.296   4.964
  256    HE3  LYS  33           HE1      LYS  33 -18.614   4.324   4.266
  257    HZ1  LYS  33           HZ1      LYS  33 -19.995   3.899   2.344
  258    HZ2  LYS  33           HZ2      LYS  33 -19.840   5.567   2.581
  259    HZ3  LYS  33           HZ3      LYS  33 -21.272   4.781   3.020
  260    H    ARG  34           HN       ARG  34 -21.361   1.339   1.635
  261    HA   ARG  34           HA       ARG  34 -23.805   2.864   2.075
  262    HB2  ARG  34           HB2      ARG  34 -23.067   4.258   0.214
  263    HB3  ARG  34           HB1      ARG  34 -21.784   4.080   1.402
  264    HG2  ARG  34           HG2      ARG  34 -20.503   2.749   0.014
  265    HG3  ARG  34           HG1      ARG  34 -21.885   2.271  -0.972
  266    HD2  ARG  34           HD2      ARG  34 -20.360   3.849  -2.119
  267    HD3  ARG  34           HD1      ARG  34 -22.006   4.459  -1.958
  268    HE   ARG  34           HE       ARG  34 -20.203   5.287   0.138
  269   HH11  ARG  34          HH11      ARG  34 -21.525   6.019  -3.003
  270   HH12  ARG  34          HH12      ARG  34 -21.187   7.714  -2.893
  271   HH21  ARG  34          HH21      ARG  34 -19.755   7.521   0.289
  272   HH22  ARG  34          HH22      ARG  34 -20.182   8.566  -1.024
  273    H    LYS  35           HN       LYS  35 -23.070  -0.020   0.730
  274    HA   LYS  35           HA       LYS  35 -24.084  -1.427  -0.739
  275    HB2  LYS  35           HB2      LYS  35 -26.418   0.476  -0.479
  276    HB3  LYS  35           HB1      LYS  35 -26.489  -1.191  -1.031
  277    HG2  LYS  35           HG2      LYS  35 -25.698  -0.290   1.733
  278    HG3  LYS  35           HG1      LYS  35 -27.264  -0.959   1.271
  279    HD2  LYS  35           HD2      LYS  35 -24.645  -2.421   0.955
  280    HD3  LYS  35           HD1      LYS  35 -25.710  -2.595   2.351
  281    HE2  LYS  35           HE2      LYS  35 -27.513  -3.346   0.857
  282    HE3  LYS  35           HE1      LYS  35 -26.418  -3.206  -0.518
  283    HZ1  LYS  35           HZ1      LYS  35 -26.552  -5.482   0.252
  284    HZ2  LYS  35           HZ2      LYS  35 -26.065  -5.022   1.805
  285    HZ3  LYS  35           HZ3      LYS  35 -24.993  -4.877   0.506
  Start of MODEL    4
    1    H1   MET   1           HT1      MET   1  26.400  -1.159  -4.550
    2    H2   MET   1           HT2      MET   1  25.908  -1.994  -3.163
    3    H3   MET   1           HT3      MET   1  27.349  -1.109  -3.150
    4    HA   MET   1           HA       MET   1  26.191   0.945  -3.351
    5    HB2  MET   1           HB2      MET   1  23.769   1.054  -3.426
    6    HB3  MET   1           HB1      MET   1  24.358   0.085  -4.768
    7    HG2  MET   1           HG2      MET   1  23.337  -1.093  -2.198
    8    HG3  MET   1           HG1      MET   1  22.320  -0.789  -3.605
    9    HE1  MET   1           HE1      MET   1  22.619  -2.012  -5.940
   10    HE2  MET   1           HE2      MET   1  23.906  -3.168  -6.281
   11    HE3  MET   1           HE3      MET   1  24.297  -1.471  -6.004
   12    H    THR   2           HN       THR   2  24.362   1.726  -1.619
   13    HA   THR   2           HA       THR   2  25.355   0.669   0.926
   14    HB   THR   2           HB       THR   2  23.650   2.962   1.242
   15    HG1  THR   2           HG1      THR   2  24.201   3.517  -0.879
   16   HG21  THR   2          HG21      THR   2  25.646   3.916   2.265
   17   HG22  THR   2          HG22      THR   2  26.632   2.626   1.575
   18   HG23  THR   2          HG23      THR   2  25.414   2.249   2.794
   19    H    PHE   3           HN       PHE   3  24.071  -0.223   2.449
   20    HA   PHE   3           HA       PHE   3  21.597  -1.324   1.700
   21    HB2  PHE   3           HB2      PHE   3  23.282  -2.078   3.530
   22    HB3  PHE   3           HB1      PHE   3  22.402  -0.961   4.570
   23    HD1  PHE   3           HD1      PHE   3  20.836  -1.955   5.910
   24    HD2  PHE   3           HD2      PHE   3  21.540  -3.540   2.028
   25    HE1  PHE   3           HE1      PHE   3  19.129  -3.682   6.315
   26    HE2  PHE   3           HE2      PHE   3  19.833  -5.276   2.422
   27    HZ   PHE   3           HZ       PHE   3  18.626  -5.346   4.568
   28    H    ALA   4           HN       ALA   4  22.462   1.589   3.454
   29    HA   ALA   4           HA       ALA   4  19.846   2.198   4.384
   30    HB1  ALA   4           HB1      ALA   4  22.194   4.038   3.928
   31    HB2  ALA   4           HB2      ALA   4  21.841   3.159   5.415
   32    HB3  ALA   4           HB3      ALA   4  20.745   4.422   4.856
   33    H    GLU   5           HN       GLU   5  21.708   3.097   1.522
   34    HA   GLU   5           HA       GLU   5  19.778   4.904   0.480
   35    HB2  GLU   5           HB2      GLU   5  22.071   3.435  -0.824
   36    HB3  GLU   5           HB1      GLU   5  21.079   4.625  -1.658
   37    HG2  GLU   5           HG2      GLU   5  22.723   5.152   0.807
   38    HG3  GLU   5           HG1      GLU   5  23.193   5.559  -0.843
   39    H    LEU   6           HN       LEU   6  20.305   1.452   0.187
   40    HA   LEU   6           HA       LEU   6  18.276   1.195  -1.883
   41    HB2  LEU   6           HB2      LEU   6  20.423  -0.176  -1.781
   42    HB3  LEU   6           HB1      LEU   6  19.697  -1.030  -0.431
   43    HG   LEU   6           HG       LEU   6  18.060  -0.916  -2.888
   44   HD11  LEU   6          HD11      LEU   6  19.315  -2.719  -3.962
   45   HD12  LEU   6          HD12      LEU   6  20.574  -2.574  -2.735
   46   HD13  LEU   6          HD13      LEU   6  20.274  -1.243  -3.851
   47   HD21  LEU   6          HD21      LEU   6  17.676  -3.275  -2.260
   48   HD22  LEU   6          HD22      LEU   6  17.305  -2.153  -0.953
   49   HD23  LEU   6          HD23      LEU   6  18.805  -3.077  -0.920
   50    H    GLY   7           HN       GLY   7  18.445   1.269   1.491
   51    HA2  GLY   7           HA2      GLY   7  16.405  -0.599   2.138
   52    HA3  GLY   7           HA1      GLY   7  16.972   0.707   3.166
   53    H    MET   8           HN       MET   8  16.355   2.921   1.664
   54    HA   MET   8           HA       MET   8  13.558   3.152   2.159
   55    HB2  MET   8           HB2      MET   8  15.451   5.044   0.747
   56    HB3  MET   8           HB1      MET   8  13.821   5.444   1.270
   57    HG2  MET   8           HG2      MET   8  16.102   4.658   3.068
   58    HG3  MET   8           HG1      MET   8  15.504   6.296   2.810
   59    HE1  MET   8           HE1      MET   8  15.287   6.579   5.453
   60    HE2  MET   8           HE2      MET   8  15.847   4.925   5.700
   61    HE3  MET   8           HE3      MET   8  14.367   5.481   6.482
   62    H    ALA   9           HN       ALA   9  15.531   2.980  -0.781
   63    HA   ALA   9           HA       ALA   9  13.450   3.379  -2.628
   64    HB1  ALA   9           HB1      ALA   9  14.960   2.463  -4.285
   65    HB2  ALA   9           HB2      ALA   9  15.976   1.777  -3.017
   66    HB3  ALA   9           HB3      ALA   9  15.844   3.528  -3.191
   67    H    PHE  10           HN       PHE  10  14.811   0.412  -1.250
   68    HA   PHE  10           HA       PHE  10  13.142  -1.357  -2.710
   69    HB2  PHE  10           HB2      PHE  10  15.154  -2.270  -1.886
   70    HB3  PHE  10           HB1      PHE  10  14.868  -1.658  -0.263
   71    HD1  PHE  10           HD1      PHE  10  14.804  -3.447   1.151
   72    HD2  PHE  10           HD2      PHE  10  12.704  -3.677  -2.545
   73    HE1  PHE  10           HE1      PHE  10  13.866  -5.620   1.823
   74    HE2  PHE  10           HE2      PHE  10  11.764  -5.851  -1.879
   75    HZ   PHE  10           HZ       PHE  10  12.344  -6.826   0.306
   76    H    TRP  11           HN       TRP  11  12.967  -0.088   0.622
   77    HA   TRP  11           HA       TRP  11  10.649  -1.492   1.350
   78    HB2  TRP  11           HB2      TRP  11  12.121   0.847   2.407
   79    HB3  TRP  11           HB1      TRP  11  10.434   0.708   2.891
   80    HD1  TRP  11           HD1      TRP  11  13.776  -0.409   3.908
   81    HE1  TRP  11           HE1      TRP  11  13.626  -2.333   5.611
   82    HE3  TRP  11           HE3      TRP  11   8.848  -1.633   3.319
   83    HZ2  TRP  11           HZ2      TRP  11  11.679  -4.134   6.574
   84    HZ3  TRP  11           HZ3      TRP  11   7.920  -3.470   4.667
   85    HH2  TRP  11           HH2      TRP  11   9.308  -4.694   6.260
   86    H    HIS  12           HN       HIS  12  11.061   1.689  -0.139
   87    HA   HIS  12           HA       HIS  12   8.317   2.390  -0.088
   88    HB2  HIS  12           HB2      HIS  12  10.649   3.369  -1.729
   89    HB3  HIS  12           HB1      HIS  12   9.025   4.019  -1.929
   90    HD1  HIS  12           HD1      HIS  12  10.368   3.174   1.483
   91    HD2  HIS  12           HD2      HIS  12   9.697   6.497  -0.917
   92    HE1  HIS  12           HE1      HIS  12  10.662   5.196   2.973
   93    H    ASP  13           HN       ASP  13  10.359   0.780  -2.478
   94    HA   ASP  13           HA       ASP  13   8.457   0.719  -4.558
   95    HB2  ASP  13           HB2      ASP  13  10.825   0.339  -4.987
   96    HB3  ASP  13           HB1      ASP  13  10.790  -1.124  -4.007
   97    H    LEU  14           HN       LEU  14   9.241  -1.609  -1.992
   98    HA   LEU  14           HA       LEU  14   7.324  -3.529  -2.888
   99    HB2  LEU  14           HB2      LEU  14   7.934  -4.840  -1.067
  100    HB3  LEU  14           HB1      LEU  14   9.400  -3.995  -1.507
  101    HG   LEU  14           HG       LEU  14   8.572  -2.313   0.372
  102   HD11  LEU  14          HD11      LEU  14   7.455  -3.411   2.178
  103   HD12  LEU  14          HD12      LEU  14   7.475  -4.952   1.318
  104   HD13  LEU  14          HD13      LEU  14   6.481  -3.623   0.721
  105   HD21  LEU  14          HD21      LEU  14  10.711  -3.413   0.394
  106   HD22  LEU  14          HD22      LEU  14   9.962  -4.949   0.826
  107   HD23  LEU  14          HD23      LEU  14   9.954  -3.611   1.973
  108    H    ALA  15           HN       ALA  15   7.276  -0.824  -0.706
  109    HA   ALA  15           HA       ALA  15   4.867  -1.509   0.639
  110    HB1  ALA  15           HB1      ALA  15   6.133   1.205   0.310
  111    HB2  ALA  15           HB2      ALA  15   6.519   0.041   1.578
  112    HB3  ALA  15           HB3      ALA  15   4.908   0.754   1.497
  113    H    ALA  16           HN       ALA  16   5.590   0.303  -2.289
  114    HA   ALA  16           HA       ALA  16   3.266   1.693  -2.704
  115    HB1  ALA  16           HB1      ALA  16   4.781   0.237  -4.865
  116    HB2  ALA  16           HB2      ALA  16   5.269   1.776  -4.157
  117    HB3  ALA  16           HB3      ALA  16   3.755   1.659  -5.055
  118    HA   PRO  17           HA       PRO  17   1.078  -2.117  -4.689
  119    HB2  PRO  17           HB2      PRO  17   2.172  -4.577  -4.353
  120    HB3  PRO  17           HB1      PRO  17   2.608  -3.521  -5.711
  121    HG2  PRO  17           HG2      PRO  17   4.073  -4.006  -3.162
  122    HG3  PRO  17           HG1      PRO  17   4.697  -3.882  -4.819
  123    HD2  PRO  17           HD2      PRO  17   4.827  -1.834  -3.054
  124    HD3  PRO  17           HD1      PRO  17   4.675  -1.593  -4.804
  125    H    VAL  18           HN       VAL  18   2.739  -2.480  -1.633
  126    HA   VAL  18           HA       VAL  18   0.909  -4.298  -0.434
  127    HB   VAL  18           HB       VAL  18   2.922  -2.393   0.763
  128   HG11  VAL  18          HG11      VAL  18   1.213  -4.453   2.152
  129   HG12  VAL  18          HG12      VAL  18   1.194  -2.709   2.412
  130   HG13  VAL  18          HG13      VAL  18   2.609  -3.654   2.874
  131   HG21  VAL  18          HG21      VAL  18   3.709  -4.364  -0.594
  132   HG22  VAL  18          HG22      VAL  18   2.984  -5.401   0.636
  133   HG23  VAL  18          HG23      VAL  18   4.298  -4.305   1.067
  134    H    ILE  19           HN       ILE  19   1.294  -0.778  -0.233
  135    HA   ILE  19           HA       ILE  19  -0.913  -0.365   1.502
  136    HB   ILE  19           HB       ILE  19   0.375   1.629  -0.365
  137   HG12  ILE  19          HG12      ILE  19   1.053   1.267   2.543
  138   HG13  ILE  19          HG11      ILE  19   1.873   0.324   1.303
  139   HG21  ILE  19          HG21      ILE  19  -0.431   3.288   1.253
  140   HG22  ILE  19          HG22      ILE  19  -1.213   2.002   2.172
  141   HG23  ILE  19          HG23      ILE  19  -1.759   2.375   0.538
  142   HD11  ILE  19          HD11      ILE  19   2.688   2.342   0.263
  143   HD12  ILE  19          HD12      ILE  19   3.130   2.316   1.970
  144   HD13  ILE  19          HD13      ILE  19   1.794   3.329   1.420
  145    H    ALA  20           HN       ALA  20  -0.495  -0.166  -2.008
  146    HA   ALA  20           HA       ALA  20  -3.045   0.867  -2.612
  147    HB1  ALA  20           HB1      ALA  20  -1.152   0.877  -4.186
  148    HB2  ALA  20           HB2      ALA  20  -2.604   0.166  -4.890
  149    HB3  ALA  20           HB3      ALA  20  -1.290  -0.874  -4.342
  150    H    GLY  21           HN       GLY  21  -1.854  -2.447  -2.273
  151    HA2  GLY  21           HA2      GLY  21  -4.153  -3.771  -3.211
  152    HA3  GLY  21           HA1      GLY  21  -2.959  -4.453  -2.117
  153    H    ILE  22           HN       ILE  22  -3.223  -2.814   0.080
  154    HA   ILE  22           HA       ILE  22  -5.527  -3.896   1.332
  155    HB   ILE  22           HB       ILE  22  -3.743  -1.662   2.312
  156   HG12  ILE  22          HG12      ILE  22  -3.575  -4.620   2.922
  157   HG13  ILE  22          HG11      ILE  22  -2.563  -3.806   1.735
  158   HG21  ILE  22          HG21      ILE  22  -4.524  -2.344   4.543
  159   HG22  ILE  22          HG22      ILE  22  -5.626  -3.496   3.790
  160   HG23  ILE  22          HG23      ILE  22  -5.842  -1.766   3.523
  161   HD11  ILE  22          HD11      ILE  22  -1.398  -4.116   3.845
  162   HD12  ILE  22          HD12      ILE  22  -2.650  -3.198   4.681
  163   HD13  ILE  22          HD13      ILE  22  -1.622  -2.404   3.488
  164    H    LEU  23           HN       LEU  23  -4.745  -0.765  -0.049
  165    HA   LEU  23           HA       LEU  23  -6.934   0.690   0.942
  166    HB2  LEU  23           HB2      LEU  23  -5.040   1.817  -0.029
  167    HB3  LEU  23           HB1      LEU  23  -5.294   1.017  -1.568
  168    HG   LEU  23           HG       LEU  23  -7.399   2.253  -1.863
  169   HD11  LEU  23          HD11      LEU  23  -8.005   2.562   0.470
  170   HD12  LEU  23          HD12      LEU  23  -7.935   4.116  -0.361
  171   HD13  LEU  23          HD13      LEU  23  -6.619   3.626   0.706
  172   HD21  LEU  23          HD21      LEU  23  -6.406   4.442  -2.272
  173   HD22  LEU  23          HD22      LEU  23  -5.318   3.148  -2.772
  174   HD23  LEU  23          HD23      LEU  23  -5.025   4.012  -1.263
  175    H    ALA  24           HN       ALA  24  -6.558  -1.419  -1.835
  176    HA   ALA  24           HA       ALA  24  -8.914  -0.762  -3.209
  177    HB1  ALA  24           HB1      ALA  24  -7.107  -2.082  -4.194
  178    HB2  ALA  24           HB2      ALA  24  -8.654  -2.919  -4.319
  179    HB3  ALA  24           HB3      ALA  24  -7.480  -3.413  -3.099
  180    H    SER  25           HN       SER  25  -8.288  -3.249  -0.753
  181    HA   SER  25           HA       SER  25 -10.844  -4.387  -0.719
  182    HB2  SER  25           HB2      SER  25  -8.872  -5.414   0.361
  183    HB3  SER  25           HB1      SER  25  -8.884  -4.137   1.577
  184    HG   SER  25           HG       SER  25 -11.026  -4.868   2.126
  185    H    MET  26           HN       MET  26  -9.536  -1.545   0.858
  186    HA   MET  26           HA       MET  26 -11.726  -1.112   2.621
  187    HB2  MET  26           HB2      MET  26  -9.678   0.840   1.548
  188    HB3  MET  26           HB1      MET  26 -10.774   1.153   2.886
  189    HG2  MET  26           HG2      MET  26  -9.725  -0.530   4.218
  190    HG3  MET  26           HG1      MET  26  -8.730  -1.050   2.861
  191    HE1  MET  26           HE1      MET  26  -8.282   3.094   4.853
  192    HE2  MET  26           HE2      MET  26  -9.538   1.934   5.289
  193    HE3  MET  26           HE3      MET  26  -9.564   2.707   3.705
  194    H    ILE  27           HN       ILE  27 -10.879   0.158  -0.579
  195    HA   ILE  27           HA       ILE  27 -13.011   1.959  -0.822
  196    HB   ILE  27           HB       ILE  27 -11.579   0.410  -2.988
  197   HG12  ILE  27          HG12      ILE  27 -11.219   3.243  -1.980
  198   HG13  ILE  27          HG11      ILE  27 -10.139   1.896  -1.642
  199   HG21  ILE  27          HG21      ILE  27 -12.450   2.132  -4.525
  200   HG22  ILE  27          HG22      ILE  27 -13.423   2.788  -3.208
  201   HG23  ILE  27          HG23      ILE  27 -13.732   1.158  -3.806
  202   HD11  ILE  27          HD11      ILE  27  -9.615   1.726  -4.021
  203   HD12  ILE  27          HD12      ILE  27  -9.238   3.324  -3.376
  204   HD13  ILE  27          HD13      ILE  27 -10.690   3.085  -4.348
  205    H    VAL  28           HN       VAL  28 -12.746  -1.481  -1.595
  206    HA   VAL  28           HA       VAL  28 -15.335  -1.726  -2.729
  207    HB   VAL  28           HB       VAL  28 -13.648  -3.871  -1.427
  208   HG11  VAL  28          HG11      VAL  28 -14.984  -5.449  -2.677
  209   HG12  VAL  28          HG12      VAL  28 -15.906  -4.138  -3.411
  210   HG13  VAL  28          HG13      VAL  28 -16.043  -4.451  -1.681
  211   HG21  VAL  28          HG21      VAL  28 -12.526  -2.682  -3.291
  212   HG22  VAL  28          HG22      VAL  28 -13.870  -3.128  -4.343
  213   HG23  VAL  28          HG23      VAL  28 -12.844  -4.380  -3.643
  214    H    ASN  29           HN       ASN  29 -14.070  -2.351   0.543
  215    HA   ASN  29           HA       ASN  29 -16.493  -3.303   1.609
  216    HB2  ASN  29           HB2      ASN  29 -15.477  -3.173   3.739
  217    HB3  ASN  29           HB1      ASN  29 -14.172  -3.530   2.629
  218   HD21  ASN  29          HD21      ASN  29 -12.684  -2.792   4.125
  219   HD22  ASN  29          HD22      ASN  29 -12.441  -1.107   4.423
  220    H    TRP  30           HN       TRP  30 -15.329  -0.114   0.971
  221    HA   TRP  30           HA       TRP  30 -17.131   1.293   2.665
  222    HB2  TRP  30           HB2      TRP  30 -15.268   2.544   2.031
  223    HB3  TRP  30           HB1      TRP  30 -15.363   2.023   0.354
  224    HD1  TRP  30           HD1      TRP  30 -17.713   4.086   2.686
  225    HE1  TRP  30           HE1      TRP  30 -18.529   6.130   1.348
  226    HE3  TRP  30           HE3      TRP  30 -15.309   3.171  -1.725
  227    HZ2  TRP  30           HZ2      TRP  30 -18.191   7.210  -1.242
  228    HZ3  TRP  30           HZ3      TRP  30 -15.602   4.754  -3.585
  229    HH2  TRP  30           HH2      TRP  30 -17.016   6.732  -3.347
  230    H    LEU  31           HN       LEU  31 -17.123   0.613  -0.826
  231    HA   LEU  31           HA       LEU  31 -19.642   1.761  -1.351
  232    HB2  LEU  31           HB2      LEU  31 -17.872  -0.154  -2.805
  233    HB3  LEU  31           HB1      LEU  31 -19.496   0.150  -3.396
  234    HG   LEU  31           HG       LEU  31 -17.526   2.368  -2.891
  235   HD11  LEU  31          HD11      LEU  31 -16.569   0.808  -4.516
  236   HD12  LEU  31          HD12      LEU  31 -17.025   2.336  -5.268
  237   HD13  LEU  31          HD13      LEU  31 -18.044   0.911  -5.477
  238   HD21  LEU  31          HD21      LEU  31 -18.980   3.621  -4.380
  239   HD22  LEU  31          HD22      LEU  31 -19.896   2.981  -3.016
  240   HD23  LEU  31          HD23      LEU  31 -20.008   2.205  -4.595
  241    H    ASN  32           HN       ASN  32 -18.687  -1.363  -0.165
  242    HA   ASN  32           HA       ASN  32 -21.110  -2.728  -0.763
  243    HB2  ASN  32           HB2      ASN  32 -18.789  -3.307   1.056
  244    HB3  ASN  32           HB1      ASN  32 -20.215  -4.340   1.042
  245   HD21  ASN  32          HD21      ASN  32 -19.081  -2.717  -1.823
  246   HD22  ASN  32          HD22      ASN  32 -18.514  -4.131  -2.637
  247    H    LYS  33           HN       LYS  33 -19.929  -0.988   2.084
  248    HA   LYS  33           HA       LYS  33 -22.223  -1.723   3.661
  249    HB2  LYS  33           HB2      LYS  33 -21.264  -0.311   5.393
  250    HB3  LYS  33           HB1      LYS  33 -20.036  -1.368   4.715
  251    HG2  LYS  33           HG2      LYS  33 -18.833   0.537   4.716
  252    HG3  LYS  33           HG1      LYS  33 -19.650   0.778   3.172
  253    HD2  LYS  33           HD2      LYS  33 -21.423   2.047   4.397
  254    HD3  LYS  33           HD1      LYS  33 -20.425   1.928   5.848
  255    HE2  LYS  33           HE2      LYS  33 -19.630   3.237   3.249
  256    HE3  LYS  33           HE1      LYS  33 -20.114   4.075   4.723
  257    HZ1  LYS  33           HZ1      LYS  33 -18.200   3.145   5.850
  258    HZ2  LYS  33           HZ2      LYS  33 -17.707   3.995   4.474
  259    HZ3  LYS  33           HZ3      LYS  33 -17.745   2.304   4.454
  260    H    ARG  34           HN       ARG  34 -21.169   1.155   1.884
  261    HA   ARG  34           HA       ARG  34 -23.316   2.788   2.800
  262    HB2  ARG  34           HB2      ARG  34 -22.604   4.399   1.173
  263    HB3  ARG  34           HB1      ARG  34 -21.172   3.687   1.901
  264    HG2  ARG  34           HG2      ARG  34 -20.742   2.374  -0.038
  265    HG3  ARG  34           HG1      ARG  34 -22.305   2.799  -0.740
  266    HD2  ARG  34           HD2      ARG  34 -20.005   4.675  -0.212
  267    HD3  ARG  34           HD1      ARG  34 -20.528   4.079  -1.786
  268    HE   ARG  34           HE       ARG  34 -22.607   5.437  -0.360
  269   HH11  ARG  34          HH11      ARG  34 -19.834   5.863  -2.422
  270   HH12  ARG  34          HH12      ARG  34 -20.368   7.388  -3.044
  271   HH21  ARG  34          HH21      ARG  34 -23.321   7.444  -1.171
  272   HH22  ARG  34          HH22      ARG  34 -22.353   8.288  -2.333
  273    H    LYS  35           HN       LYS  35 -22.780   0.796  -0.056
  274    HA   LYS  35           HA       LYS  35 -24.122   0.402  -1.893
  275    HB2  LYS  35           HB2      LYS  35 -26.198  -0.845  -1.133
  276    HB3  LYS  35           HB1      LYS  35 -24.657  -1.441  -0.533
  277    HG2  LYS  35           HG2      LYS  35 -25.147  -0.004   1.542
  278    HG3  LYS  35           HG1      LYS  35 -26.804   0.038   0.937
  279    HD2  LYS  35           HD2      LYS  35 -26.857  -2.411   0.934
  280    HD3  LYS  35           HD1      LYS  35 -25.202  -2.445   1.546
  281    HE2  LYS  35           HE2      LYS  35 -25.963  -1.198   3.544
  282    HE3  LYS  35           HE1      LYS  35 -27.617  -1.300   2.942
  283    HZ1  LYS  35           HZ1      LYS  35 -27.168  -3.024   4.564
  284    HZ2  LYS  35           HZ2      LYS  35 -25.881  -3.606   3.635
  285    HZ3  LYS  35           HZ3      LYS  35 -27.462  -3.711   3.046
  Start of MODEL    5
    1    H1   MET   1           HT1      MET   1 -26.262  -2.493   3.168
    2    H2   MET   1           HT2      MET   1 -27.473  -1.351   2.866
    3    H3   MET   1           HT3      MET   1 -26.810  -1.489   4.416
    4    HA   MET   1           HA       MET   1 -25.957   0.452   3.259
    5    HB2  MET   1           HB2      MET   1 -24.579  -1.224   4.815
    6    HB3  MET   1           HB1      MET   1 -23.639  -1.415   3.342
    7    HG2  MET   1           HG2      MET   1 -24.235   1.243   4.598
    8    HG3  MET   1           HG1      MET   1 -22.787   0.296   4.937
    9    HE1  MET   1           HE1      MET   1 -20.907   1.657   4.182
   10    HE2  MET   1           HE2      MET   1 -22.021   3.023   4.114
   11    HE3  MET   1           HE3      MET   1 -20.905   2.726   2.779
   12    H    THR   2           HN       THR   2 -25.127   1.380   1.450
   13    HA   THR   2           HA       THR   2 -25.466   0.064  -1.022
   14    HB   THR   2           HB       THR   2 -23.881   2.205  -1.653
   15    HG1  THR   2           HG1      THR   2 -25.149   3.735  -0.019
   16   HG21  THR   2          HG21      THR   2 -26.850   2.229  -1.091
   17   HG22  THR   2          HG22      THR   2 -26.083   1.718  -2.594
   18   HG23  THR   2          HG23      THR   2 -25.982   3.402  -2.081
   19    H    PHE   3           HN       PHE   3 -24.144  -1.151  -2.187
   20    HA   PHE   3           HA       PHE   3 -21.654  -2.029  -1.203
   21    HB2  PHE   3           HB2      PHE   3 -23.331  -3.115  -2.911
   22    HB3  PHE   3           HB1      PHE   3 -22.358  -2.260  -4.105
   23    HD1  PHE   3           HD1      PHE   3 -21.883  -4.432  -1.120
   24    HD2  PHE   3           HD2      PHE   3 -20.602  -3.401  -5.042
   25    HE1  PHE   3           HE1      PHE   3 -20.233  -6.254  -1.053
   26    HE2  PHE   3           HE2      PHE   3 -18.948  -5.224  -4.986
   27    HZ   PHE   3           HZ       PHE   3 -18.762  -6.654  -2.988
   28    H    ALA   4           HN       ALA   4 -22.565   0.486  -3.465
   29    HA   ALA   4           HA       ALA   4 -19.957   0.963  -4.497
   30    HB1  ALA   4           HB1      ALA   4 -21.953   1.665  -5.702
   31    HB2  ALA   4           HB2      ALA   4 -20.904   3.045  -5.371
   32    HB3  ALA   4           HB3      ALA   4 -22.357   2.788  -4.404
   33    H    GLU   5           HN       GLU   5 -21.850   2.358  -1.854
   34    HA   GLU   5           HA       GLU   5 -19.961   4.375  -1.198
   35    HB2  GLU   5           HB2      GLU   5 -22.218   3.136   0.376
   36    HB3  GLU   5           HB1      GLU   5 -21.238   4.466   0.979
   37    HG2  GLU   5           HG2      GLU   5 -22.921   4.517  -1.516
   38    HG3  GLU   5           HG1      GLU   5 -23.350   5.239   0.034
   39    H    LEU   6           HN       LEU   6 -20.495   1.069  -0.111
   40    HA   LEU   6           HA       LEU   6 -18.448   1.223   1.916
   41    HB2  LEU   6           HB2      LEU   6 -20.526  -0.261   1.983
   42    HB3  LEU   6           HB1      LEU   6 -19.708  -1.278   0.811
   43    HG   LEU   6           HG       LEU   6 -18.136  -0.680   3.228
   44   HD11  LEU   6          HD11      LEU   6 -20.607  -2.400   3.374
   45   HD12  LEU   6          HD12      LEU   6 -20.336  -0.888   4.239
   46   HD13  LEU   6          HD13      LEU   6 -19.349  -2.303   4.605
   47   HD21  LEU   6          HD21      LEU   6 -17.593  -3.042   3.029
   48   HD22  LEU   6          HD22      LEU   6 -17.397  -2.231   1.476
   49   HD23  LEU   6          HD23      LEU   6 -18.816  -3.234   1.774
   50    H    GLY   7           HN       GLY   7 -18.543   0.788  -1.420
   51    HA2  GLY   7           HA2      GLY   7 -16.395  -1.048  -1.751
   52    HA3  GLY   7           HA1      GLY   7 -17.023   0.043  -2.975
   53    H    MET   8           HN       MET   8 -16.540   2.505  -1.865
   54    HA   MET   8           HA       MET   8 -13.772   2.815  -2.415
   55    HB2  MET   8           HB2      MET   8 -15.783   4.776  -1.300
   56    HB3  MET   8           HB1      MET   8 -14.166   5.200  -1.848
   57    HG2  MET   8           HG2      MET   8 -16.305   3.970  -3.570
   58    HG3  MET   8           HG1      MET   8 -15.910   5.687  -3.513
   59    HE1  MET   8           HE1      MET   8 -15.682   5.554  -6.171
   60    HE2  MET   8           HE2      MET   8 -15.938   3.809  -6.193
   61    HE3  MET   8           HE3      MET   8 -14.538   4.506  -7.009
   62    H    ALA   9           HN       ALA   9 -15.675   3.048   0.578
   63    HA   ALA   9           HA       ALA   9 -13.565   3.815   2.266
   64    HB1  ALA   9           HB1      ALA   9 -16.037   2.229   2.955
   65    HB2  ALA   9           HB2      ALA   9 -15.912   3.988   2.918
   66    HB3  ALA   9           HB3      ALA   9 -14.990   3.063   4.103
   67    H    PHE  10           HN       PHE  10 -14.827   0.613   1.427
   68    HA   PHE  10           HA       PHE  10 -13.049  -0.831   3.102
   69    HB2  PHE  10           HB2      PHE  10 -15.036  -1.942   2.491
   70    HB3  PHE  10           HB1      PHE  10 -14.811  -1.588   0.783
   71    HD1  PHE  10           HD1      PHE  10 -14.638  -3.546  -0.363
   72    HD2  PHE  10           HD2      PHE  10 -12.570  -3.152   3.336
   73    HE1  PHE  10           HE1      PHE  10 -13.616  -5.757  -0.704
   74    HE2  PHE  10           HE2      PHE  10 -11.546  -5.364   3.003
   75    HZ   PHE  10           HZ       PHE  10 -12.068  -6.670   0.981
   76    H    TRP  11           HN       TRP  11 -12.997  -0.085  -0.382
   77    HA   TRP  11           HA       TRP  11 -10.654  -1.507  -0.974
   78    HB2  TRP  11           HB2      TRP  11 -12.239   0.606  -2.303
   79    HB3  TRP  11           HB1      TRP  11 -10.560   0.469  -2.811
   80    HD1  TRP  11           HD1      TRP  11 -13.879  -0.933  -3.543
   81    HE1  TRP  11           HE1      TRP  11 -13.678  -3.055  -4.985
   82    HE3  TRP  11           HE3      TRP  11  -8.874  -1.815  -2.992
   83    HZ2  TRP  11           HZ2      TRP  11 -11.662  -4.864  -5.783
   84    HZ3  TRP  11           HZ3      TRP  11  -7.887  -3.763  -4.128
   85    HH2  TRP  11           HH2      TRP  11  -9.255  -5.256  -5.492
   86    H    HIS  12           HN       HIS  12 -11.146   1.814   0.109
   87    HA   HIS  12           HA       HIS  12  -8.439   2.612  -0.141
   88    HB2  HIS  12           HB2      HIS  12 -10.768   3.698   1.433
   89    HB3  HIS  12           HB1      HIS  12  -9.165   4.420   1.533
   90    HD1  HIS  12           HD1      HIS  12 -10.554   3.154  -1.736
   91    HD2  HIS  12           HD2      HIS  12  -9.896   6.744   0.250
   92    HE1  HIS  12           HE1      HIS  12 -10.930   4.988  -3.438
   93    H    ASP  13           HN       ASP  13 -10.325   1.227   2.505
   94    HA   ASP  13           HA       ASP  13  -8.330   1.492   4.491
   95    HB2  ASP  13           HB2      ASP  13 -10.704   1.114   5.023
   96    HB3  ASP  13           HB1      ASP  13 -10.598  -0.502   4.330
   97    H    LEU  14           HN       LEU  14  -9.166  -1.172   2.293
   98    HA   LEU  14           HA       LEU  14  -7.182  -2.928   3.361
   99    HB2  LEU  14           HB2      LEU  14  -7.822  -4.469   1.734
  100    HB3  LEU  14           HB1      LEU  14  -9.292  -3.604   2.126
  101    HG   LEU  14           HG       LEU  14  -8.569  -2.150   0.025
  102   HD11  LEU  14          HD11      LEU  14  -7.400  -3.321  -1.632
  103   HD12  LEU  14          HD12      LEU  14  -7.534  -4.852  -0.767
  104   HD13  LEU  14          HD13      LEU  14  -6.465  -3.588  -0.159
  105   HD21  LEU  14          HD21      LEU  14  -9.858  -4.869  -0.180
  106   HD22  LEU  14          HD22      LEU  14 -10.039  -3.539  -1.322
  107   HD23  LEU  14          HD23      LEU  14 -10.672  -3.386   0.316
  108    H    ALA  15           HN       ALA  15  -7.263  -0.529   0.843
  109    HA   ALA  15           HA       ALA  15  -4.887  -1.348  -0.486
  110    HB1  ALA  15           HB1      ALA  15  -4.986   0.805  -1.611
  111    HB2  ALA  15           HB2      ALA  15  -6.216   1.357  -0.474
  112    HB3  ALA  15           HB3      ALA  15  -6.573   0.035  -1.585
  113    H    ALA  16           HN       ALA  16  -5.548   0.821   2.204
  114    HA   ALA  16           HA       ALA  16  -3.236   2.285   2.349
  115    HB1  ALA  16           HB1      ALA  16  -4.557   1.109   4.783
  116    HB2  ALA  16           HB2      ALA  16  -5.243   2.443   3.858
  117    HB3  ALA  16           HB3      ALA  16  -3.678   2.631   4.649
  118    HA   PRO  17           HA       PRO  17  -0.908  -1.201   4.723
  119    HB2  PRO  17           HB2      PRO  17  -1.971  -3.700   4.754
  120    HB3  PRO  17           HB1      PRO  17  -2.360  -2.482   5.985
  121    HG2  PRO  17           HG2      PRO  17  -3.936  -3.316   3.601
  122    HG3  PRO  17           HG1      PRO  17  -4.482  -2.968   5.254
  123    HD2  PRO  17           HD2      PRO  17  -4.721  -1.188   3.225
  124    HD3  PRO  17           HD1      PRO  17  -4.505  -0.705   4.917
  125    H    VAL  18           HN       VAL  18  -2.712  -2.090   1.840
  126    HA   VAL  18           HA       VAL  18  -0.870  -3.983   0.814
  127    HB   VAL  18           HB       VAL  18  -2.963  -2.291  -0.555
  128   HG11  VAL  18          HG11      VAL  18  -1.303  -4.527  -1.714
  129   HG12  VAL  18          HG12      VAL  18  -1.252  -2.829  -2.187
  130   HG13  VAL  18          HG13      VAL  18  -2.701  -3.786  -2.493
  131   HG21  VAL  18          HG21      VAL  18  -4.327  -4.218  -0.514
  132   HG22  VAL  18          HG22      VAL  18  -3.631  -4.090   1.102
  133   HG23  VAL  18          HG23      VAL  18  -2.978  -5.255  -0.050
  134    H    ILE  19           HN       ILE  19  -1.332  -0.527   0.208
  135    HA   ILE  19           HA       ILE  19   0.785  -0.281  -1.665
  136    HB   ILE  19           HB       ILE  19  -0.524   1.858   0.020
  137   HG12  ILE  19          HG12      ILE  19  -1.157   1.241  -2.853
  138   HG13  ILE  19          HG11      ILE  19  -1.958   0.368  -1.551
  139   HG21  ILE  19          HG21      ILE  19   0.250   3.393  -1.736
  140   HG22  ILE  19          HG22      ILE  19   1.100   2.057  -2.513
  141   HG23  ILE  19          HG23      ILE  19   1.591   2.599  -0.909
  142   HD11  ILE  19          HD11      ILE  19  -1.966   3.360  -1.839
  143   HD12  ILE  19          HD12      ILE  19  -2.894   2.393  -0.692
  144   HD13  ILE  19          HD13      ILE  19  -3.244   2.292  -2.418
  145    H    ALA  20           HN       ALA  20   0.491   0.420   1.799
  146    HA   ALA  20           HA       ALA  20   3.029   1.526   2.196
  147    HB1  ALA  20           HB1      ALA  20   2.700   1.055   4.548
  148    HB2  ALA  20           HB2      ALA  20   1.413  -0.090   4.166
  149    HB3  ALA  20           HB3      ALA  20   1.191   1.629   3.836
  150    H    GLY  21           HN       GLY  21   1.960  -1.820   2.066
  151    HA2  GLY  21           HA2      GLY  21   4.339  -2.981   3.090
  152    HA3  GLY  21           HA1      GLY  21   3.117  -3.805   2.133
  153    H    ILE  22           HN       ILE  22   3.219  -2.385  -0.227
  154    HA   ILE  22           HA       ILE  22   5.486  -3.539  -1.480
  155    HB   ILE  22           HB       ILE  22   3.612  -1.445  -2.591
  156   HG12  ILE  22          HG12      ILE  22   3.464  -4.451  -2.893
  157   HG13  ILE  22          HG11      ILE  22   2.511  -3.540  -1.726
  158   HG21  ILE  22          HG21      ILE  22   5.688  -1.686  -3.862
  159   HG22  ILE  22          HG22      ILE  22   4.303  -2.287  -4.772
  160   HG23  ILE  22          HG23      ILE  22   5.407  -3.422  -3.995
  161   HD11  ILE  22          HD11      ILE  22   1.206  -4.045  -3.698
  162   HD12  ILE  22          HD12      ILE  22   2.403  -3.249  -4.719
  163   HD13  ILE  22          HD13      ILE  22   1.463  -2.306  -3.562
  164    H    LEU  23           HN       LEU  23   4.665  -0.255  -0.490
  165    HA   LEU  23           HA       LEU  23   6.873   1.031  -1.692
  166    HB2  LEU  23           HB2      LEU  23   4.986   2.337  -1.025
  167    HB3  LEU  23           HB1      LEU  23   5.110   1.782   0.633
  168    HG   LEU  23           HG       LEU  23   7.214   3.023   0.897
  169   HD11  LEU  23          HD11      LEU  23   6.671   3.981  -1.911
  170   HD12  LEU  23          HD12      LEU  23   8.006   2.947  -1.400
  171   HD13  LEU  23          HD13      LEU  23   7.914   4.614  -0.832
  172   HD21  LEU  23          HD21      LEU  23   5.097   4.086   1.483
  173   HD22  LEU  23          HD22      LEU  23   4.941   4.696  -0.164
  174   HD23  LEU  23          HD23      LEU  23   6.254   5.266   0.866
  175    H    ALA  24           HN       ALA  24   6.373  -0.433   1.474
  176    HA   ALA  24           HA       ALA  24   8.769   0.418   2.675
  177    HB1  ALA  24           HB1      ALA  24   8.393  -1.347   4.293
  178    HB2  ALA  24           HB2      ALA  24   7.227  -2.118   3.217
  179    HB3  ALA  24           HB3      ALA  24   6.869  -0.540   3.918
  180    H    SER  25           HN       SER  25   7.978  -2.393   0.697
  181    HA   SER  25           HA       SER  25  10.425  -3.751   0.988
  182    HB2  SER  25           HB2      SER  25   8.470  -3.786  -1.325
  183    HB3  SER  25           HB1      SER  25   9.767  -4.954  -1.074
  184    HG   SER  25           HG       SER  25   7.607  -5.552  -0.283
  185    H    MET  26           HN       MET  26   9.375  -1.174  -1.147
  186    HA   MET  26           HA       MET  26  11.628  -1.265  -2.877
  187    HB2  MET  26           HB2      MET  26   9.643   0.941  -2.296
  188    HB3  MET  26           HB1      MET  26  10.878   1.038  -3.544
  189    HG2  MET  26           HG2      MET  26   9.868  -1.075  -4.508
  190    HG3  MET  26           HG1      MET  26   8.518  -0.809  -3.408
  191    HE1  MET  26           HE1      MET  26   6.876   1.283  -3.546
  192    HE2  MET  26           HE2      MET  26   7.127   2.638  -4.647
  193    HE3  MET  26           HE3      MET  26   8.278   2.335  -3.346
  194    H    ILE  27           HN       ILE  27  10.839   0.651   0.005
  195    HA   ILE  27           HA       ILE  27  13.113   2.293  -0.034
  196    HB   ILE  27           HB       ILE  27  11.566   1.300   2.368
  197   HG12  ILE  27          HG12      ILE  27  11.327   3.854   0.760
  198   HG13  ILE  27          HG11      ILE  27  10.181   2.519   0.742
  199   HG21  ILE  27          HG21      ILE  27  12.518   3.214   3.547
  200   HG22  ILE  27          HG22      ILE  27  13.459   3.635   2.116
  201   HG23  ILE  27          HG23      ILE  27  13.785   2.129   2.975
  202   HD11  ILE  27          HD11      ILE  27   9.690   2.921   3.105
  203   HD12  ILE  27          HD12      ILE  27   9.367   4.341   2.110
  204   HD13  ILE  27          HD13      ILE  27  10.824   4.273   3.101
  205    H    VAL  28           HN       VAL  28  12.542  -0.903   1.354
  206    HA   VAL  28           HA       VAL  28  15.077  -1.145   2.601
  207    HB   VAL  28           HB       VAL  28  13.177  -3.315   1.699
  208   HG11  VAL  28          HG11      VAL  28  15.422  -4.196   2.004
  209   HG12  VAL  28          HG12      VAL  28  14.370  -4.738   3.312
  210   HG13  VAL  28          HG13      VAL  28  15.525  -3.434   3.591
  211   HG21  VAL  28          HG21      VAL  28  12.407  -3.340   3.993
  212   HG22  VAL  28          HG22      VAL  28  12.228  -1.717   3.326
  213   HG23  VAL  28          HG23      VAL  28  13.561  -2.078   4.423
  214    H    ASN  29           HN       ASN  29  13.841  -2.118  -0.586
  215    HA   ASN  29           HA       ASN  29  16.158  -3.533  -1.359
  216    HB2  ASN  29           HB2      ASN  29  15.232  -3.660  -3.519
  217    HB3  ASN  29           HB1      ASN  29  13.846  -3.623  -2.449
  218   HD21  ASN  29          HD21      ASN  29  12.540  -2.965  -4.147
  219   HD22  ASN  29          HD22      ASN  29  12.562  -1.344  -4.744
  220    H    TRP  30           HN       TRP  30  15.341  -0.172  -1.319
  221    HA   TRP  30           HA       TRP  30  17.394   0.729  -3.073
  222    HB2  TRP  30           HB2      TRP  30  15.672   2.272  -2.813
  223    HB3  TRP  30           HB1      TRP  30  15.570   2.020  -1.076
  224    HD1  TRP  30           HD1      TRP  30  18.301   3.427  -3.475
  225    HE1  TRP  30           HE1      TRP  30  19.281   5.540  -2.379
  226    HE3  TRP  30           HE3      TRP  30  15.551   3.452   0.830
  227    HZ2  TRP  30           HZ2      TRP  30  18.930   7.023   0.000
  228    HZ3  TRP  30           HZ3      TRP  30  15.931   5.249   2.465
  229    HH2  TRP  30           HH2      TRP  30  17.588   6.998   2.058
  230    H    LEU  31           HN       LEU  31  17.090   0.646   0.471
  231    HA   LEU  31           HA       LEU  31  19.671   1.617   1.026
  232    HB2  LEU  31           HB2      LEU  31  17.709  -0.004   2.617
  233    HB3  LEU  31           HB1      LEU  31  19.275   0.446   3.268
  234    HG   LEU  31           HG       LEU  31  17.304   2.473   2.234
  235   HD11  LEU  31          HD11      LEU  31  16.251   1.247   4.041
  236   HD12  LEU  31          HD12      LEU  31  16.703   2.865   4.577
  237   HD13  LEU  31          HD13      LEU  31  17.679   1.474   5.050
  238   HD21  LEU  31          HD21      LEU  31  19.672   2.714   4.086
  239   HD22  LEU  31          HD22      LEU  31  18.629   4.030   3.544
  240   HD23  LEU  31          HD23      LEU  31  19.651   3.179   2.385
  241    H    ASN  32           HN       ASN  32  18.472  -1.531   0.202
  242    HA   ASN  32           HA       ASN  32  20.742  -3.003   1.116
  243    HB2  ASN  32           HB2      ASN  32  18.392  -3.647  -0.640
  244    HB3  ASN  32           HB1      ASN  32  19.725  -4.784  -0.466
  245   HD21  ASN  32          HD21      ASN  32  18.668  -2.665   2.101
  246   HD22  ASN  32          HD22      ASN  32  18.012  -3.902   3.112
  247    H    LYS  33           HN       LYS  33  20.071  -1.155  -1.718
  248    HA   LYS  33           HA       LYS  33  22.270  -2.454  -3.161
  249    HB2  LYS  33           HB2      LYS  33  21.416  -1.564  -5.158
  250    HB3  LYS  33           HB1      LYS  33  19.993  -2.050  -4.248
  251    HG2  LYS  33           HG2      LYS  33  19.209  -0.018  -4.701
  252    HG3  LYS  33           HG1      LYS  33  20.341   0.562  -3.478
  253    HD2  LYS  33           HD2      LYS  33  22.027   0.939  -5.195
  254    HD3  LYS  33           HD1      LYS  33  20.930   0.314  -6.427
  255    HE2  LYS  33           HE2      LYS  33  20.942   2.743  -6.449
  256    HE3  LYS  33           HE1      LYS  33  19.365   2.137  -5.947
  257    HZ1  LYS  33           HZ1      LYS  33  21.485   3.130  -4.118
  258    HZ2  LYS  33           HZ2      LYS  33  19.955   2.579  -3.653
  259    HZ3  LYS  33           HZ3      LYS  33  20.101   3.990  -4.574
  260    H    ARG  34           HN       ARG  34  21.882   0.023  -1.049
  261    HA   ARG  34           HA       ARG  34  24.155   1.489  -2.210
  262    HB2  ARG  34           HB2      ARG  34  23.261   3.571  -1.290
  263    HB3  ARG  34           HB1      ARG  34  22.128   2.846  -2.420
  264    HG2  ARG  34           HG2      ARG  34  20.688   3.413  -0.759
  265    HG3  ARG  34           HG1      ARG  34  21.139   1.801  -0.201
  266    HD2  ARG  34           HD2      ARG  34  21.189   3.474   1.606
  267    HD3  ARG  34           HD1      ARG  34  22.767   2.744   1.320
  268    HE   ARG  34           HE       ARG  34  22.262   5.253  -0.043
  269   HH11  ARG  34          HH11      ARG  34  23.631   3.646   2.731
  270   HH12  ARG  34          HH12      ARG  34  24.691   4.957   3.126
  271   HH21  ARG  34          HH21      ARG  34  23.657   6.981   0.472
  272   HH22  ARG  34          HH22      ARG  34  24.706   6.849   1.844
  273    H    LYS  35           HN       LYS  35  23.357  -0.566   0.112
  274    HA   LYS  35           HA       LYS  35  24.189  -1.148   2.144
  275    HB2  LYS  35           HB2      LYS  35  26.375   0.639   1.111
  276    HB3  LYS  35           HB1      LYS  35  26.479  -0.083   2.710
  277    HG2  LYS  35           HG2      LYS  35  27.689  -1.467   1.210
  278    HG3  LYS  35           HG1      LYS  35  26.206  -2.319   1.640
  279    HD2  LYS  35           HD2      LYS  35  25.186  -1.593  -0.467
  280    HD3  LYS  35           HD1      LYS  35  26.676  -0.750  -0.895
  281    HE2  LYS  35           HE2      LYS  35  26.541  -2.919  -2.007
  282    HE3  LYS  35           HE1      LYS  35  27.889  -2.867  -0.873
  283    HZ1  LYS  35           HZ1      LYS  35  26.556  -4.076   0.727
  284    HZ2  LYS  35           HZ2      LYS  35  26.660  -4.946  -0.719
  285    HZ3  LYS  35           HZ3      LYS  35  25.243  -4.106  -0.339
  Start of MODEL    6
    1    H1   MET   1           HT1      MET   1 -28.477  -0.393   2.305
    2    H2   MET   1           HT2      MET   1 -28.083  -1.324   3.662
    3    H3   MET   1           HT3      MET   1 -28.165  -2.048   2.135
    4    HA   MET   1           HA       MET   1 -26.204  -0.002   2.991
    5    HB2  MET   1           HB2      MET   1 -25.782  -2.191   3.990
    6    HB3  MET   1           HB1      MET   1 -25.892  -2.954   2.410
    7    HG2  MET   1           HG2      MET   1 -23.577  -2.654   3.229
    8    HG3  MET   1           HG1      MET   1 -23.891  -1.887   1.674
    9    HE1  MET   1           HE1      MET   1 -23.548  -1.270   5.556
   10    HE2  MET   1           HE2      MET   1 -25.099  -0.534   5.152
   11    HE3  MET   1           HE3      MET   1 -23.740   0.482   5.635
   12    H    THR   2           HN       THR   2 -24.636   0.555   1.432
   13    HA   THR   2           HA       THR   2 -25.482   0.045  -1.346
   14    HB   THR   2           HB       THR   2 -23.942   2.295  -1.526
   15    HG1  THR   2           HG1      THR   2 -24.113   2.249   0.920
   16   HG21  THR   2          HG21      THR   2 -26.064   3.511  -1.789
   17   HG22  THR   2          HG22      THR   2 -26.926   2.153  -1.064
   18   HG23  THR   2          HG23      THR   2 -26.102   1.951  -2.610
   19    H    PHE   3           HN       PHE   3 -24.106  -0.965  -2.616
   20    HA   PHE   3           HA       PHE   3 -21.610  -1.906  -1.721
   21    HB2  PHE   3           HB2      PHE   3 -23.212  -2.786  -3.597
   22    HB3  PHE   3           HB1      PHE   3 -22.280  -1.714  -4.637
   23    HD1  PHE   3           HD1      PHE   3 -20.515  -2.650  -5.752
   24    HD2  PHE   3           HD2      PHE   3 -21.665  -4.255  -1.986
   25    HE1  PHE   3           HE1      PHE   3 -18.775  -4.378  -5.964
   26    HE2  PHE   3           HE2      PHE   3 -19.928  -5.987  -2.187
   27    HZ   PHE   3           HZ       PHE   3 -18.479  -6.051  -4.179
   28    H    ALA   4           HN       ALA   4 -22.549   0.882  -3.636
   29    HA   ALA   4           HA       ALA   4 -19.941   1.570  -4.523
   30    HB1  ALA   4           HB1      ALA   4 -22.364   3.338  -4.193
   31    HB2  ALA   4           HB2      ALA   4 -21.961   2.397  -5.630
   32    HB3  ALA   4           HB3      ALA   4 -20.915   3.723  -5.122
   33    H    GLU   5           HN       GLU   5 -21.913   2.563  -1.754
   34    HA   GLU   5           HA       GLU   5 -20.074   4.479  -0.766
   35    HB2  GLU   5           HB2      GLU   5 -22.278   2.949   0.625
   36    HB3  GLU   5           HB1      GLU   5 -21.372   4.263   1.364
   37    HG2  GLU   5           HG2      GLU   5 -23.092   4.476  -1.096
   38    HG3  GLU   5           HG1      GLU   5 -23.529   5.014   0.524
   39    H    LEU   6           HN       LEU   6 -20.489   1.025  -0.260
   40    HA   LEU   6           HA       LEU   6 -18.460   0.940   1.809
   41    HB2  LEU   6           HB2      LEU   6 -20.536  -0.569   1.649
   42    HB3  LEU   6           HB1      LEU   6 -19.656  -1.431   0.399
   43    HG   LEU   6           HG       LEU   6 -18.174  -1.062   2.918
   44   HD11  LEU   6          HD11      LEU   6 -20.586  -2.866   2.785
   45   HD12  LEU   6          HD12      LEU   6 -20.401  -1.450   3.818
   46   HD13  LEU   6          HD13      LEU   6 -19.373  -2.861   4.064
   47   HD21  LEU   6          HD21      LEU   6 -17.296  -2.378   1.069
   48   HD22  LEU   6          HD22      LEU   6 -18.716  -3.421   1.118
   49   HD23  LEU   6          HD23      LEU   6 -17.590  -3.401   2.474
   50    H    GLY   7           HN       GLY   7 -18.564   0.931  -1.563
   51    HA2  GLY   7           HA2      GLY   7 -16.405  -0.830  -2.128
   52    HA3  GLY   7           HA1      GLY   7 -17.025   0.417  -3.197
   53    H    MET   8           HN       MET   8 -16.540   2.721  -1.889
   54    HA   MET   8           HA       MET   8 -13.755   3.065  -2.296
   55    HB2  MET   8           HB2      MET   8 -15.803   4.907  -1.051
   56    HB3  MET   8           HB1      MET   8 -14.165   5.380  -1.481
   57    HG2  MET   8           HG2      MET   8 -16.231   4.365  -3.418
   58    HG3  MET   8           HG1      MET   8 -15.840   6.062  -3.147
   59    HE1  MET   8           HE1      MET   8 -15.787   4.624  -6.021
   60    HE2  MET   8           HE2      MET   8 -14.317   5.330  -6.692
   61    HE3  MET   8           HE3      MET   8 -15.434   6.333  -5.766
   62    H    ALA   9           HN       ALA   9 -15.767   2.807   0.596
   63    HA   ALA   9           HA       ALA   9 -13.747   3.450   2.464
   64    HB1  ALA   9           HB1      ALA   9 -16.209   1.753   2.860
   65    HB2  ALA   9           HB2      ALA   9 -16.135   3.509   3.010
   66    HB3  ALA   9           HB3      ALA   9 -15.237   2.489   4.133
   67    H    PHE  10           HN       PHE  10 -14.921   0.356   1.196
   68    HA   PHE  10           HA       PHE  10 -13.181  -1.253   2.762
   69    HB2  PHE  10           HB2      PHE  10 -15.117  -2.323   1.957
   70    HB3  PHE  10           HB1      PHE  10 -14.859  -1.751   0.315
   71    HD1  PHE  10           HD1      PHE  10 -14.548  -3.503  -1.096
   72    HD2  PHE  10           HD2      PHE  10 -12.710  -3.616   2.740
   73    HE1  PHE  10           HE1      PHE  10 -13.460  -5.630  -1.685
   74    HE2  PHE  10           HE2      PHE  10 -11.620  -5.744   2.162
   75    HZ   PHE  10           HZ       PHE  10 -11.994  -6.756  -0.054
   76    H    TRP  11           HN       TRP  11 -13.001  -0.030  -0.575
   77    HA   TRP  11           HA       TRP  11 -10.615  -1.361  -1.253
   78    HB2  TRP  11           HB2      TRP  11 -12.176   0.895  -2.373
   79    HB3  TRP  11           HB1      TRP  11 -10.486   0.791  -2.854
   80    HD1  TRP  11           HD1      TRP  11 -13.799  -0.459  -3.821
   81    HE1  TRP  11           HE1      TRP  11 -13.595  -2.412  -5.483
   82    HE3  TRP  11           HE3      TRP  11  -8.825  -1.506  -3.239
   83    HZ2  TRP  11           HZ2      TRP  11 -11.594  -4.164  -6.423
   84    HZ3  TRP  11           HZ3      TRP  11  -7.846  -3.337  -4.559
   85    HH2  TRP  11           HH2      TRP  11  -9.203  -4.640  -6.116
   86    H    HIS  12           HN       HIS  12 -11.205   1.827   0.159
   87    HA   HIS  12           HA       HIS  12  -8.492   2.653   0.131
   88    HB2  HIS  12           HB2      HIS  12 -10.916   3.574   1.664
   89    HB3  HIS  12           HB1      HIS  12  -9.327   4.285   1.933
   90    HD1  HIS  12           HD1      HIS  12 -10.596   3.344  -1.501
   91    HD2  HIS  12           HD2      HIS  12  -9.893   6.719   0.818
   92    HE1  HIS  12           HE1      HIS  12 -10.856   5.332  -3.044
   93    H    ASP  13           HN       ASP  13 -10.511   1.029   2.528
   94    HA   ASP  13           HA       ASP  13  -8.652   1.102   4.646
   95    HB2  ASP  13           HB2      ASP  13 -11.038   0.648   4.996
   96    HB3  ASP  13           HB1      ASP  13 -10.882  -0.873   4.123
   97    H    LEU  14           HN       LEU  14  -9.300  -1.322   2.132
   98    HA   LEU  14           HA       LEU  14  -7.354  -3.160   3.127
   99    HB2  LEU  14           HB2      LEU  14  -7.858  -4.523   1.301
  100    HB3  LEU  14           HB1      LEU  14  -9.367  -3.733   1.697
  101    HG   LEU  14           HG       LEU  14  -8.575  -2.045  -0.187
  102   HD11  LEU  14          HD11      LEU  14  -7.375  -4.619  -1.163
  103   HD12  LEU  14          HD12      LEU  14  -6.411  -3.352  -0.407
  104   HD13  LEU  14          HD13      LEU  14  -7.288  -3.019  -1.901
  105   HD21  LEU  14          HD21      LEU  14  -9.754  -4.763  -0.752
  106   HD22  LEU  14          HD22      LEU  14  -9.901  -3.334  -1.772
  107   HD23  LEU  14          HD23      LEU  14 -10.646  -3.356  -0.175
  108    H    ALA  15           HN       ALA  15  -7.325  -0.496   0.905
  109    HA   ALA  15           HA       ALA  15  -4.870  -1.118  -0.378
  110    HB1  ALA  15           HB1      ALA  15  -4.957   1.121  -1.265
  111    HB2  ALA  15           HB2      ALA  15  -6.179   1.579  -0.077
  112    HB3  ALA  15           HB3      ALA  15  -6.566   0.399  -1.330
  113    H    ALA  16           HN       ALA  16  -5.698   0.666   2.535
  114    HA   ALA  16           HA       ALA  16  -3.414   2.113   2.995
  115    HB1  ALA  16           HB1      ALA  16  -4.846   0.639   5.189
  116    HB2  ALA  16           HB2      ALA  16  -5.522   2.052   4.382
  117    HB3  ALA  16           HB3      ALA  16  -4.007   2.188   5.276
  118    HA   PRO  17           HA       PRO  17  -1.181  -1.622   5.066
  119    HB2  PRO  17           HB2      PRO  17  -2.202  -4.112   4.728
  120    HB3  PRO  17           HB1      PRO  17  -2.696  -3.058   6.067
  121    HG2  PRO  17           HG2      PRO  17  -4.085  -3.595   3.485
  122    HG3  PRO  17           HG1      PRO  17  -4.754  -3.486   5.127
  123    HD2  PRO  17           HD2      PRO  17  -4.906  -1.445   3.359
  124    HD3  PRO  17           HD1      PRO  17  -4.785  -1.193   5.110
  125    H    VAL  18           HN       VAL  18  -2.769  -2.047   1.982
  126    HA   VAL  18           HA       VAL  18  -0.864  -3.827   0.840
  127    HB   VAL  18           HB       VAL  18  -2.906  -1.995  -0.420
  128   HG11  VAL  18          HG11      VAL  18  -1.113  -2.303  -2.013
  129   HG12  VAL  18          HG12      VAL  18  -2.514  -3.254  -2.507
  130   HG13  VAL  18          HG13      VAL  18  -1.135  -4.046  -1.744
  131   HG21  VAL  18          HG21      VAL  18  -2.896  -5.000  -0.273
  132   HG22  VAL  18          HG22      VAL  18  -4.234  -3.934  -0.704
  133   HG23  VAL  18          HG23      VAL  18  -3.646  -3.984   0.957
  134    H    ILE  19           HN       ILE  19  -1.349  -0.324   0.634
  135    HA   ILE  19           HA       ILE  19   0.863   0.161  -1.077
  136    HB   ILE  19           HB       ILE  19  -0.546   2.083   0.777
  137   HG12  ILE  19          HG12      ILE  19  -1.050   1.778  -2.173
  138   HG13  ILE  19          HG11      ILE  19  -1.915   0.790  -0.999
  139   HG21  ILE  19          HG21      ILE  19   1.188   2.569  -1.642
  140   HG22  ILE  19          HG22      ILE  19   1.598   2.933   0.034
  141   HG23  ILE  19          HG23      ILE  19   0.291   3.808  -0.764
  142   HD11  ILE  19          HD11      ILE  19  -3.152   2.801  -1.720
  143   HD12  ILE  19          HD12      ILE  19  -1.887   3.797  -0.998
  144   HD13  ILE  19          HD13      ILE  19  -2.864   2.737   0.019
  145    H    ALA  20           HN       ALA  20   0.401   0.254   2.421
  146    HA   ALA  20           HA       ALA  20   2.882   1.412   3.086
  147    HB1  ALA  20           HB1      ALA  20   0.935   1.257   4.610
  148    HB2  ALA  20           HB2      ALA  20   2.438   0.685   5.336
  149    HB3  ALA  20           HB3      ALA  20   1.237  -0.474   4.767
  150    H    GLY  21           HN       GLY  21   1.867  -1.985   2.820
  151    HA2  GLY  21           HA2      GLY  21   4.301  -3.122   3.675
  152    HA3  GLY  21           HA1      GLY  21   3.084  -3.927   2.697
  153    H    ILE  22           HN       ILE  22   3.106  -2.394   0.408
  154    HA   ILE  22           HA       ILE  22   5.394  -3.409  -0.925
  155    HB   ILE  22           HB       ILE  22   3.389  -1.370  -1.906
  156   HG12  ILE  22          HG12      ILE  22   3.481  -4.359  -2.370
  157   HG13  ILE  22          HG11      ILE  22   2.440  -3.577  -1.186
  158   HG21  ILE  22          HG21      ILE  22   4.122  -2.061  -4.149
  159   HG22  ILE  22          HG22      ILE  22   5.357  -3.088  -3.419
  160   HG23  ILE  22          HG23      ILE  22   5.435  -1.337  -3.221
  161   HD11  ILE  22          HD11      ILE  22   1.226  -4.113  -3.215
  162   HD12  ILE  22          HD12      ILE  22   2.360  -3.151  -4.164
  163   HD13  ILE  22          HD13      ILE  22   1.314  -2.368  -2.980
  164    H    LEU  23           HN       LEU  23   4.515  -0.253   0.337
  165    HA   LEU  23           HA       LEU  23   6.544   1.266  -0.869
  166    HB2  LEU  23           HB2      LEU  23   4.711   2.380   0.181
  167    HB3  LEU  23           HB1      LEU  23   5.036   1.604   1.718
  168    HG   LEU  23           HG       LEU  23   7.121   2.890   1.929
  169   HD11  LEU  23          HD11      LEU  23   7.637   3.184  -0.428
  170   HD12  LEU  23          HD12      LEU  23   7.565   4.744   0.390
  171   HD13  LEU  23          HD13      LEU  23   6.222   4.218  -0.625
  172   HD21  LEU  23          HD21      LEU  23   6.089   5.074   2.325
  173   HD22  LEU  23          HD22      LEU  23   5.073   3.758   2.913
  174   HD23  LEU  23          HD23      LEU  23   4.674   4.571   1.400
  175    H    ALA  24           HN       ALA  24   6.462  -0.668   2.062
  176    HA   ALA  24           HA       ALA  24   8.958   0.120   3.112
  177    HB1  ALA  24           HB1      ALA  24   8.788  -1.857   4.511
  178    HB2  ALA  24           HB2      ALA  24   7.517  -2.505   3.474
  179    HB3  ALA  24           HB3      ALA  24   7.226  -1.044   4.416
  180    H    SER  25           HN       SER  25   8.010  -2.419   0.855
  181    HA   SER  25           HA       SER  25  10.467  -3.770   0.729
  182    HB2  SER  25           HB2      SER  25   8.319  -3.477  -1.385
  183    HB3  SER  25           HB1      SER  25   9.643  -4.641  -1.445
  184    HG   SER  25           HG       SER  25   8.791  -5.706   0.279
  185    H    MET  26           HN       MET  26   9.273  -0.911  -0.936
  186    HA   MET  26           HA       MET  26  11.386  -0.773  -2.832
  187    HB2  MET  26           HB2      MET  26   9.553   1.406  -1.810
  188    HB3  MET  26           HB1      MET  26  10.611   1.548  -3.208
  189    HG2  MET  26           HG2      MET  26   9.364  -0.432  -4.176
  190    HG3  MET  26           HG1      MET  26   8.193  -0.199  -2.879
  191    HE1  MET  26           HE1      MET  26   6.783   2.042  -2.558
  192    HE2  MET  26           HE2      MET  26   6.883   3.425  -3.647
  193    HE3  MET  26           HE3      MET  26   8.252   3.015  -2.614
  194    H    ILE  27           HN       ILE  27  10.866   0.689   0.357
  195    HA   ILE  27           HA       ILE  27  13.158   2.323   0.347
  196    HB   ILE  27           HB       ILE  27  11.746   1.047   2.696
  197   HG12  ILE  27          HG12      ILE  27  11.532   3.814   1.486
  198   HG13  ILE  27          HG11      ILE  27  10.325   2.540   1.356
  199   HG21  ILE  27          HG21      ILE  27  12.853   2.756   4.062
  200   HG22  ILE  27          HG22      ILE  27  13.751   3.302   2.645
  201   HG23  ILE  27          HG23      ILE  27  14.021   1.683   3.291
  202   HD11  ILE  27          HD11      ILE  27   9.998   2.621   3.781
  203   HD12  ILE  27          HD12      ILE  27   9.677   4.176   3.014
  204   HD13  ILE  27          HD13      ILE  27  11.187   3.919   3.888
  205    H    VAL  28           HN       VAL  28  12.626  -1.020   1.368
  206    HA   VAL  28           HA       VAL  28  15.232  -1.454   2.379
  207    HB   VAL  28           HB       VAL  28  13.251  -3.461   1.290
  208   HG11  VAL  28          HG11      VAL  28  15.724  -3.873   2.970
  209   HG12  VAL  28          HG12      VAL  28  15.492  -4.392   1.301
  210   HG13  VAL  28          HG13      VAL  28  14.530  -5.115   2.591
  211   HG21  VAL  28          HG21      VAL  28  12.408  -2.154   3.188
  212   HG22  VAL  28          HG22      VAL  28  13.825  -2.616   4.129
  213   HG23  VAL  28          HG23      VAL  28  12.666  -3.844   3.620
  214    H    ASN  29           HN       ASN  29  13.770  -2.031  -0.813
  215    HA   ASN  29           HA       ASN  29  16.000  -3.302  -1.952
  216    HB2  ASN  29           HB2      ASN  29  14.917  -3.097  -4.028
  217    HB3  ASN  29           HB1      ASN  29  13.605  -3.165  -2.870
  218   HD21  ASN  29          HD21      ASN  29  12.220  -2.228  -4.355
  219   HD22  ASN  29          HD22      ASN  29  12.275  -0.541  -4.725
  220    H    TRP  30           HN       TRP  30  15.276   0.021  -1.333
  221    HA   TRP  30           HA       TRP  30  17.216   1.157  -3.075
  222    HB2  TRP  30           HB2      TRP  30  15.528   2.639  -2.449
  223    HB3  TRP  30           HB1      TRP  30  15.592   2.155  -0.760
  224    HD1  TRP  30           HD1      TRP  30  18.137   3.841  -3.191
  225    HE1  TRP  30           HE1      TRP  30  19.224   5.804  -1.926
  226    HE3  TRP  30           HE3      TRP  30  15.731   3.348   1.285
  227    HZ2  TRP  30           HZ2      TRP  30  19.078   6.984   0.641
  228    HZ3  TRP  30           HZ3      TRP  30  16.259   4.920   3.093
  229    HH2  TRP  30           HH2      TRP  30  17.899   6.706   2.779
  230    H    LEU  31           HN       LEU  31  17.190   0.535   0.442
  231    HA   LEU  31           HA       LEU  31  19.828   1.394   0.893
  232    HB2  LEU  31           HB2      LEU  31  17.899  -0.321   2.391
  233    HB3  LEU  31           HB1      LEU  31  19.568  -0.277   2.915
  234    HG   LEU  31           HG       LEU  31  18.867   1.388   4.228
  235   HD11  LEU  31          HD11      LEU  31  18.997   3.620   3.312
  236   HD12  LEU  31          HD12      LEU  31  18.833   2.976   1.679
  237   HD13  LEU  31          HD13      LEU  31  20.263   2.594   2.637
  238   HD21  LEU  31          HD21      LEU  31  16.807   2.691   3.856
  239   HD22  LEU  31          HD22      LEU  31  16.541   0.948   3.862
  240   HD23  LEU  31          HD23      LEU  31  16.577   1.829   2.336
  241    H    ASN  32           HN       ASN  32  18.526  -1.597  -0.299
  242    HA   ASN  32           HA       ASN  32  20.769  -3.239   0.205
  243    HB2  ASN  32           HB2      ASN  32  18.485  -3.392  -1.747
  244    HB3  ASN  32           HB1      ASN  32  19.793  -4.569  -1.794
  245   HD21  ASN  32          HD21      ASN  32  18.733  -3.125   1.190
  246   HD22  ASN  32          HD22      ASN  32  17.982  -4.539   1.838
  247    H    LYS  33           HN       LYS  33  20.312  -0.636  -1.872
  248    HA   LYS  33           HA       LYS  33  22.331  -1.484  -3.795
  249    HB2  LYS  33           HB2      LYS  33  20.352  -0.305  -4.637
  250    HB3  LYS  33           HB1      LYS  33  20.709   1.066  -3.598
  251    HG2  LYS  33           HG2      LYS  33  22.819   0.226  -5.498
  252    HG3  LYS  33           HG1      LYS  33  21.377   0.991  -6.167
  253    HD2  LYS  33           HD2      LYS  33  21.700   2.931  -4.774
  254    HD3  LYS  33           HD1      LYS  33  23.048   2.155  -3.941
  255    HE2  LYS  33           HE2      LYS  33  22.966   2.865  -6.870
  256    HE3  LYS  33           HE1      LYS  33  23.808   3.778  -5.618
  257    HZ1  LYS  33           HZ1      LYS  33  25.297   2.303  -6.843
  258    HZ2  LYS  33           HZ2      LYS  33  24.388   0.961  -6.361
  259    HZ3  LYS  33           HZ3      LYS  33  25.220   1.877  -5.208
  260    H    ARG  34           HN       ARG  34  21.932   0.477  -0.978
  261    HA   ARG  34           HA       ARG  34  24.714   1.408  -1.227
  262    HB2  ARG  34           HB2      ARG  34  24.037   3.238   0.359
  263    HB3  ARG  34           HB1      ARG  34  23.300   3.324  -1.233
  264    HG2  ARG  34           HG2      ARG  34  21.254   2.279  -0.279
  265    HG3  ARG  34           HG1      ARG  34  22.000   2.377   1.318
  266    HD2  ARG  34           HD2      ARG  34  21.357   4.683  -0.518
  267    HD3  ARG  34           HD1      ARG  34  20.523   4.266   0.978
  268    HE   ARG  34           HE       ARG  34  23.120   4.619   1.727
  269   HH11  ARG  34          HH11      ARG  34  20.761   6.569   0.062
  270   HH12  ARG  34          HH12      ARG  34  21.423   8.071   0.615
  271   HH21  ARG  34          HH21      ARG  34  23.999   6.591   2.458
  272   HH22  ARG  34          HH22      ARG  34  23.264   8.084   1.976
  273    H    LYS  35           HN       LYS  35  25.289  -0.703  -0.336
  274    HA   LYS  35           HA       LYS  35  24.607  -1.150   2.455
  275    HB2  LYS  35           HB2      LYS  35  25.981  -3.236   2.169
  276    HB3  LYS  35           HB1      LYS  35  24.581  -3.122   1.114
  277    HG2  LYS  35           HG2      LYS  35  27.202  -2.165   0.089
  278    HG3  LYS  35           HG1      LYS  35  26.925  -3.903   0.216
  279    HD2  LYS  35           HD2      LYS  35  24.991  -3.752  -1.205
  280    HD3  LYS  35           HD1      LYS  35  25.087  -1.990  -1.220
  281    HE2  LYS  35           HE2      LYS  35  25.980  -3.015  -3.282
  282    HE3  LYS  35           HE1      LYS  35  27.186  -2.072  -2.408
  283    HZ1  LYS  35           HZ1      LYS  35  26.911  -5.029  -2.307
  284    HZ2  LYS  35           HZ2      LYS  35  28.080  -4.117  -1.494
  285    HZ3  LYS  35           HZ3      LYS  35  28.085  -4.180  -3.184
  Start of MODEL    7
    1    H1   MET   1           HT1      MET   1  27.991  -0.614   4.054
    2    H2   MET   1           HT2      MET   1  28.142   0.254   2.610
    3    H3   MET   1           HT3      MET   1  28.308  -1.429   2.605
    4    HA   MET   1           HA       MET   1  26.007  -1.692   3.259
    5    HB2  MET   1           HB2      MET   1  25.828   0.451   4.471
    6    HB3  MET   1           HB1      MET   1  25.906   1.316   2.943
    7    HG2  MET   1           HG2      MET   1  23.818   0.264   2.240
    8    HG3  MET   1           HG1      MET   1  23.741  -0.604   3.772
    9    HE1  MET   1           HE1      MET   1  24.725   1.448   5.860
   10    HE2  MET   1           HE2      MET   1  23.226   0.558   6.124
   11    HE3  MET   1           HE3      MET   1  23.262   2.308   6.338
   12    H    THR   2           HN       THR   2  24.414  -1.958   1.657
   13    HA   THR   2           HA       THR   2  25.314  -1.225  -1.051
   14    HB   THR   2           HB       THR   2  23.487  -3.321  -1.322
   15    HG1  THR   2           HG1      THR   2  23.635  -4.054   0.733
   16   HG21  THR   2          HG21      THR   2  25.471  -2.954  -2.696
   17   HG22  THR   2          HG22      THR   2  25.448  -4.599  -2.063
   18   HG23  THR   2          HG23      THR   2  26.506  -3.391  -1.337
   19    H    PHE   3           HN       PHE   3  24.048   0.060  -2.186
   20    HA   PHE   3           HA       PHE   3  21.654   1.139  -1.168
   21    HB2  PHE   3           HB2      PHE   3  23.346   2.044  -2.965
   22    HB3  PHE   3           HB1      PHE   3  22.273   1.223  -4.096
   23    HD1  PHE   3           HD1      PHE   3  22.136   3.575  -1.217
   24    HD2  PHE   3           HD2      PHE   3  20.490   2.393  -4.958
   25    HE1  PHE   3           HE1      PHE   3  20.615   5.505  -1.152
   26    HE2  PHE   3           HE2      PHE   3  18.965   4.325  -4.903
   27    HZ   PHE   3           HZ       PHE   3  19.026   5.885  -2.997
   28    H    ALA   4           HN       ALA   4  22.316  -1.518  -3.354
   29    HA   ALA   4           HA       ALA   4  19.660  -1.837  -4.311
   30    HB1  ALA   4           HB1      ALA   4  20.418  -4.014  -5.118
   31    HB2  ALA   4           HB2      ALA   4  21.896  -3.859  -4.168
   32    HB3  ALA   4           HB3      ALA   4  21.587  -2.751  -5.505
   33    H    GLU   5           HN       GLU   5  21.488  -3.271  -1.639
   34    HA   GLU   5           HA       GLU   5  19.467  -5.098  -0.856
   35    HB2  GLU   5           HB2      GLU   5  21.766  -3.914   0.710
   36    HB3  GLU   5           HB1      GLU   5  20.747  -5.227   1.283
   37    HG2  GLU   5           HG2      GLU   5  22.526  -5.285  -1.143
   38    HG3  GLU   5           HG1      GLU   5  22.834  -6.076   0.402
   39    H    LEU   6           HN       LEU   6  20.221  -1.775   0.018
   40    HA   LEU   6           HA       LEU   6  18.148  -1.680   2.037
   41    HB2  LEU   6           HB2      LEU   6  20.354  -0.378   2.086
   42    HB3  LEU   6           HB1      LEU   6  19.634   0.665   0.872
   43    HG   LEU   6           HG       LEU   6  17.998   0.273   3.291
   44   HD11  LEU   6          HD11      LEU   6  20.216   0.355   4.302
   45   HD12  LEU   6          HD12      LEU   6  19.311   1.832   4.632
   46   HD13  LEU   6          HD13      LEU   6  20.577   1.830   3.405
   47   HD21  LEU   6          HD21      LEU   6  17.323   1.809   1.554
   48   HD22  LEU   6          HD22      LEU   6  18.862   2.661   1.666
   49   HD23  LEU   6          HD23      LEU   6  17.726   2.712   3.014
   50    H    GLY   7           HN       GLY   7  18.354  -1.382  -1.310
   51    HA2  GLY   7           HA2      GLY   7  16.384   0.619  -1.762
   52    HA3  GLY   7           HA1      GLY   7  16.944  -0.566  -2.932
   53    H    MET   8           HN       MET   8  16.223  -2.938  -1.813
   54    HA   MET   8           HA       MET   8  13.455  -3.033  -2.393
   55    HB2  MET   8           HB2      MET   8  15.309  -5.079  -1.169
   56    HB3  MET   8           HB1      MET   8  13.640  -5.416  -1.609
   57    HG2  MET   8           HG2      MET   8  15.819  -4.544  -3.493
   58    HG3  MET   8           HG1      MET   8  15.195  -6.182  -3.316
   59    HE1  MET   8           HE1      MET   8  14.844  -6.193  -5.981
   60    HE2  MET   8           HE2      MET   8  15.398  -4.522  -6.088
   61    HE3  MET   8           HE3      MET   8  13.873  -4.996  -6.838
   62    H    ALA   9           HN       ALA   9  15.274  -3.192   0.644
   63    HA   ALA   9           HA       ALA   9  13.052  -3.704   2.310
   64    HB1  ALA   9           HB1      ALA   9  14.511  -3.030   4.150
   65    HB2  ALA   9           HB2      ALA   9  15.670  -2.371   2.996
   66    HB3  ALA   9           HB3      ALA   9  15.347  -4.105   3.030
   67    H    PHE  10           HN       PHE  10  14.648  -0.688   1.343
   68    HA   PHE  10           HA       PHE  10  13.004   1.003   2.925
   69    HB2  PHE  10           HB2      PHE  10  15.088   1.901   2.298
   70    HB3  PHE  10           HB1      PHE  10  14.865   1.471   0.607
   71    HD1  PHE  10           HD1      PHE  10  12.779   3.393   3.044
   72    HD2  PHE  10           HD2      PHE  10  14.845   3.344  -0.676
   73    HE1  PHE  10           HE1      PHE  10  11.965   5.666   2.568
   74    HE2  PHE  10           HE2      PHE  10  14.031   5.615  -1.162
   75    HZ   PHE  10           HZ       PHE  10  12.590   6.780   0.461
   76    H    TRP  11           HN       TRP  11  12.874  -0.034  -0.463
   77    HA   TRP  11           HA       TRP  11  10.692   1.602  -1.190
   78    HB2  TRP  11           HB2      TRP  11  12.090  -0.729  -2.375
   79    HB3  TRP  11           HB1      TRP  11  10.451  -0.422  -2.940
   80    HD1  TRP  11           HD1      TRP  11  13.938   0.577  -3.599
   81    HE1  TRP  11           HE1      TRP  11  14.016   2.637  -5.141
   82    HE3  TRP  11           HE3      TRP  11   9.037   1.993  -3.305
   83    HZ2  TRP  11           HZ2      TRP  11  12.232   4.603  -6.106
   84    HZ3  TRP  11           HZ3      TRP  11   8.302   3.974  -4.568
   85    HH2  TRP  11           HH2      TRP  11   9.868   5.252  -5.937
   86    H    HIS  12           HN       HIS  12  10.892  -1.704   0.036
   87    HA   HIS  12           HA       HIS  12   8.123  -2.265  -0.182
   88    HB2  HIS  12           HB2      HIS  12  10.354  -3.488   1.430
   89    HB3  HIS  12           HB1      HIS  12   8.695  -4.062   1.562
   90    HD1  HIS  12           HD1      HIS  12  10.275  -3.058  -1.723
   91    HD2  HIS  12           HD2      HIS  12   9.097  -6.469   0.334
   92    HE1  HIS  12           HE1      HIS  12  10.438  -4.971  -3.369
   93    H    ASP  13           HN       ASP  13  10.140  -0.948   2.393
   94    HA   ASP  13           HA       ASP  13   8.150  -0.952   4.399
   95    HB2  ASP  13           HB2      ASP  13  10.535  -0.780   4.930
   96    HB3  ASP  13           HB1      ASP  13  10.611   0.785   4.126
   97    H    LEU  14           HN       LEU  14   9.209   1.515   2.069
   98    HA   LEU  14           HA       LEU  14   7.394   3.490   3.050
   99    HB2  LEU  14           HB2      LEU  14   8.116   4.879   1.307
  100    HB3  LEU  14           HB1      LEU  14   9.523   3.963   1.796
  101    HG   LEU  14           HG       LEU  14   8.797   2.403  -0.207
  102   HD11  LEU  14          HD11      LEU  14   7.756   5.082  -1.098
  103   HD12  LEU  14          HD12      LEU  14   6.728   3.739  -0.604
  104   HD13  LEU  14          HD13      LEU  14   7.773   3.576  -2.016
  105   HD21  LEU  14          HD21      LEU  14  10.925   3.618   0.034
  106   HD22  LEU  14          HD22      LEU  14  10.154   5.066  -0.613
  107   HD23  LEU  14          HD23      LEU  14  10.331   3.634  -1.626
  108    H    ALA  15           HN       ALA  15   7.254   0.961   0.681
  109    HA   ALA  15           HA       ALA  15   4.934   1.871  -0.680
  110    HB1  ALA  15           HB1      ALA  15   6.509   0.257  -1.657
  111    HB2  ALA  15           HB2      ALA  15   4.850  -0.342  -1.661
  112    HB3  ALA  15           HB3      ALA  15   6.000  -0.941  -0.466
  113    H    ALA  16           HN       ALA  16   5.462  -0.117   2.168
  114    HA   ALA  16           HA       ALA  16   3.063  -1.398   2.461
  115    HB1  ALA  16           HB1      ALA  16   4.898  -1.756   3.986
  116    HB2  ALA  16           HB2      ALA  16   3.447  -1.324   4.893
  117    HB3  ALA  16           HB3      ALA  16   4.718  -0.129   4.638
  118    HA   PRO  17           HA       PRO  17   0.992   2.426   4.550
  119    HB2  PRO  17           HB2      PRO  17   2.219   4.842   4.359
  120    HB3  PRO  17           HB1      PRO  17   2.541   3.711   5.688
  121    HG2  PRO  17           HG2      PRO  17   4.137   4.220   3.223
  122    HG3  PRO  17           HG1      PRO  17   4.682   3.998   4.899
  123    HD2  PRO  17           HD2      PRO  17   4.790   2.018   3.060
  124    HD3  PRO  17           HD1      PRO  17   4.537   1.714   4.789
  125    H    VAL  18           HN       VAL  18   2.766   2.805   1.566
  126    HA   VAL  18           HA       VAL  18   1.076   4.761   0.377
  127    HB   VAL  18           HB       VAL  18   2.957   2.754  -0.881
  128   HG11  VAL  18          HG11      VAL  18   2.835   4.195  -2.888
  129   HG12  VAL  18          HG12      VAL  18   1.526   5.098  -2.125
  130   HG13  VAL  18          HG13      VAL  18   1.308   3.393  -2.520
  131   HG21  VAL  18          HG21      VAL  18   4.566   4.463  -0.941
  132   HG22  VAL  18          HG22      VAL  18   3.853   4.577   0.668
  133   HG23  VAL  18          HG23      VAL  18   3.372   5.714  -0.590
  134    H    ILE  19           HN       ILE  19   1.293   1.239   0.076
  135    HA   ILE  19           HA       ILE  19  -0.917   0.973  -1.686
  136    HB   ILE  19           HB       ILE  19   0.296  -1.121   0.121
  137   HG12  ILE  19          HG12      ILE  19   0.964  -0.711  -2.783
  138   HG13  ILE  19          HG11      ILE  19   1.831   0.166  -1.526
  139   HG21  ILE  19          HG21      ILE  19  -1.339  -1.363  -2.402
  140   HG22  ILE  19          HG22      ILE  19  -1.868  -1.769  -0.769
  141   HG23  ILE  19          HG23      ILE  19  -0.586  -2.704  -1.539
  142   HD11  ILE  19          HD11      ILE  19   3.016  -1.844  -2.238
  143   HD12  ILE  19          HD12      ILE  19   1.638  -2.829  -1.744
  144   HD13  ILE  19          HD13      ILE  19   2.554  -1.923  -0.539
  145    H    ALA  20           HN       ALA  20  -0.519   0.770   1.811
  146    HA   ALA  20           HA       ALA  20  -3.042  -0.281   2.450
  147    HB1  ALA  20           HB1      ALA  20  -2.629   0.553   4.703
  148    HB2  ALA  20           HB2      ALA  20  -1.307   1.552   4.101
  149    HB3  ALA  20           HB3      ALA  20  -1.183  -0.206   4.037
  150    H    GLY  21           HN       GLY  21  -1.951   3.073   2.054
  151    HA2  GLY  21           HA2      GLY  21  -4.337   4.306   2.921
  152    HA3  GLY  21           HA1      GLY  21  -3.130   5.039   1.875
  153    H    ILE  22           HN       ILE  22  -3.234   3.406  -0.331
  154    HA   ILE  22           HA       ILE  22  -5.541   4.384  -1.663
  155    HB   ILE  22           HB       ILE  22  -3.611   2.250  -2.590
  156   HG12  ILE  22          HG12      ILE  22  -3.573   5.211  -3.206
  157   HG13  ILE  22          HG11      ILE  22  -2.579   4.465  -1.960
  158   HG21  ILE  22          HG21      ILE  22  -5.514   4.000  -4.145
  159   HG22  ILE  22          HG22      ILE  22  -5.690   2.269  -3.860
  160   HG23  ILE  22          HG23      ILE  22  -4.352   2.870  -4.840
  161   HD11  ILE  22          HD11      ILE  22  -1.463   3.111  -3.636
  162   HD12  ILE  22          HD12      ILE  22  -1.341   4.826  -4.030
  163   HD13  ILE  22          HD13      ILE  22  -2.488   3.801  -4.894
  164    H    LEU  23           HN       LEU  23  -4.650   1.283  -0.282
  165    HA   LEU  23           HA       LEU  23  -6.764  -0.237  -1.376
  166    HB2  LEU  23           HB2      LEU  23  -4.788  -1.301  -0.480
  167    HB3  LEU  23           HB1      LEU  23  -5.105  -0.639   1.111
  168    HG   LEU  23           HG       LEU  23  -7.164  -2.012   1.242
  169   HD11  LEU  23          HD11      LEU  23  -7.617  -2.232  -1.142
  170   HD12  LEU  23          HD12      LEU  23  -7.497  -3.816  -0.376
  171   HD13  LEU  23          HD13      LEU  23  -6.156  -3.199  -1.340
  172   HD21  LEU  23          HD21      LEU  23  -5.085  -2.812   2.223
  173   HD22  LEU  23          HD22      LEU  23  -4.627  -3.543   0.685
  174   HD23  LEU  23          HD23      LEU  23  -6.026  -4.153   1.570
  175    H    ALA  24           HN       ALA  24  -6.473   1.738   1.514
  176    HA   ALA  24           HA       ALA  24  -8.766   0.886   2.873
  177    HB1  ALA  24           HB1      ALA  24  -7.053   2.320   3.880
  178    HB2  ALA  24           HB2      ALA  24  -8.664   3.016   4.051
  179    HB3  ALA  24           HB3      ALA  24  -7.554   3.649   2.836
  180    H    SER  25           HN       SER  25  -8.343   3.458   0.468
  181    HA   SER  25           HA       SER  25 -10.981   4.402   0.472
  182    HB2  SER  25           HB2      SER  25  -9.147   5.645  -0.577
  183    HB3  SER  25           HB1      SER  25  -8.966   4.378  -1.791
  184    HG   SER  25           HG       SER  25 -10.733   6.442  -1.690
  185    H    MET  26           HN       MET  26  -9.466   1.690  -1.126
  186    HA   MET  26           HA       MET  26 -11.564   1.128  -2.952
  187    HB2  MET  26           HB2      MET  26  -9.443  -0.692  -1.793
  188    HB3  MET  26           HB1      MET  26 -10.477  -1.089  -3.159
  189    HG2  MET  26           HG2      MET  26  -9.508   0.698  -4.459
  190    HG3  MET  26           HG1      MET  26  -8.534   1.208  -3.082
  191    HE1  MET  26           HE1      MET  26  -7.958  -2.836  -5.237
  192    HE2  MET  26           HE2      MET  26  -9.177  -1.652  -5.707
  193    HE3  MET  26           HE3      MET  26  -9.316  -2.494  -4.164
  194    H    ILE  27           HN       ILE  27 -10.759  -0.094   0.278
  195    HA   ILE  27           HA       ILE  27 -12.829  -1.992   0.457
  196    HB   ILE  27           HB       ILE  27 -11.495  -0.466   2.701
  197   HG12  ILE  27          HG12      ILE  27 -10.873  -3.203   1.566
  198   HG13  ILE  27          HG11      ILE  27  -9.940  -1.747   1.237
  199   HG21  ILE  27          HG21      ILE  27 -13.585  -1.471   3.421
  200   HG22  ILE  27          HG22      ILE  27 -12.217  -2.343   4.114
  201   HG23  ILE  27          HG23      ILE  27 -13.094  -3.024   2.744
  202   HD11  ILE  27          HD11      ILE  27  -8.856  -3.104   2.920
  203   HD12  ILE  27          HD12      ILE  27 -10.305  -3.052   3.924
  204   HD13  ILE  27          HD13      ILE  27  -9.392  -1.574   3.616
  205    H    VAL  28           HN       VAL  28 -12.669   1.422   1.404
  206    HA   VAL  28           HA       VAL  28 -15.231   1.549   2.587
  207    HB   VAL  28           HB       VAL  28 -13.667   3.776   1.269
  208   HG11  VAL  28          HG11      VAL  28 -15.023   5.279   2.619
  209   HG12  VAL  28          HG12      VAL  28 -15.913   3.907   3.279
  210   HG13  VAL  28          HG13      VAL  28 -16.048   4.302   1.566
  211   HG21  VAL  28          HG21      VAL  28 -12.820   4.286   3.466
  212   HG22  VAL  28          HG22      VAL  28 -12.462   2.600   3.095
  213   HG23  VAL  28          HG23      VAL  28 -13.791   3.001   4.181
  214    H    ASN  29           HN       ASN  29 -14.097   2.282  -0.698
  215    HA   ASN  29           HA       ASN  29 -16.522   3.186  -1.750
  216    HB2  ASN  29           HB2      ASN  29 -14.162   1.822  -3.044
  217    HB3  ASN  29           HB1      ASN  29 -15.539   2.406  -3.970
  218   HD21  ASN  29          HD21      ASN  29 -12.749   3.236  -4.051
  219   HD22  ASN  29          HD22      ASN  29 -12.743   4.931  -3.715
  220    H    TRP  30           HN       TRP  30 -15.204  -0.069  -1.447
  221    HA   TRP  30           HA       TRP  30 -17.216  -1.406  -2.905
  222    HB2  TRP  30           HB2      TRP  30 -15.316  -2.701  -2.581
  223    HB3  TRP  30           HB1      TRP  30 -15.150  -2.221  -0.897
  224    HD1  TRP  30           HD1      TRP  30 -17.756  -4.266  -2.947
  225    HE1  TRP  30           HE1      TRP  30 -18.431  -6.307  -1.533
  226    HE3  TRP  30           HE3      TRP  30 -14.924  -3.345   1.204
  227    HZ2  TRP  30           HZ2      TRP  30 -17.843  -7.383   1.010
  228    HZ3  TRP  30           HZ3      TRP  30 -15.039  -4.926   3.085
  229    HH2  TRP  30           HH2      TRP  30 -16.467  -6.904   2.989
  230    H    LEU  31           HN       LEU  31 -16.817  -0.785   0.565
  231    HA   LEU  31           HA       LEU  31 -19.150  -2.102   1.408
  232    HB2  LEU  31           HB2      LEU  31 -17.456   0.061   2.603
  233    HB3  LEU  31           HB1      LEU  31 -18.913  -0.494   3.407
  234    HG   LEU  31           HG       LEU  31 -16.764  -2.425   2.598
  235   HD11  LEU  31          HD11      LEU  31 -15.831  -2.213   4.845
  236   HD12  LEU  31          HD12      LEU  31 -16.937  -0.881   5.178
  237   HD13  LEU  31          HD13      LEU  31 -15.691  -0.704   3.943
  238   HD21  LEU  31          HD21      LEU  31 -17.721  -3.754   4.405
  239   HD22  LEU  31          HD22      LEU  31 -18.949  -3.328   3.213
  240   HD23  LEU  31          HD23      LEU  31 -18.875  -2.467   4.750
  241    H    ASN  32           HN       ASN  32 -18.608   1.052   0.053
  242    HA   ASN  32           HA       ASN  32 -21.061   2.225   0.879
  243    HB2  ASN  32           HB2      ASN  32 -19.166   2.925  -1.369
  244    HB3  ASN  32           HB1      ASN  32 -20.568   3.897  -0.929
  245   HD21  ASN  32          HD21      ASN  32 -17.739   4.582  -0.890
  246   HD22  ASN  32          HD22      ASN  32 -17.380   5.049   0.734
  247    H    LYS  33           HN       LYS  33 -20.193   0.027  -1.623
  248    HA   LYS  33           HA       LYS  33 -22.540   0.561  -3.232
  249    HB2  LYS  33           HB2      LYS  33 -20.636  -0.069  -4.475
  250    HB3  LYS  33           HB1      LYS  33 -20.297  -1.432  -3.416
  251    HG2  LYS  33           HG2      LYS  33 -22.337  -2.541  -4.219
  252    HG3  LYS  33           HG1      LYS  33 -22.620  -1.188  -5.316
  253    HD2  LYS  33           HD2      LYS  33 -20.661  -1.667  -6.550
  254    HD3  LYS  33           HD1      LYS  33 -20.090  -2.806  -5.330
  255    HE2  LYS  33           HE2      LYS  33 -22.620  -3.183  -6.920
  256    HE3  LYS  33           HE1      LYS  33 -21.062  -3.862  -7.390
  257    HZ1  LYS  33           HZ1      LYS  33 -22.495  -4.423  -4.849
  258    HZ2  LYS  33           HZ2      LYS  33 -21.010  -5.087  -5.311
  259    HZ3  LYS  33           HZ3      LYS  33 -22.411  -5.463  -6.182
  260    H    ARG  34           HN       ARG  34 -21.334  -2.092  -1.192
  261    HA   ARG  34           HA       ARG  34 -23.730  -3.632  -1.490
  262    HB2  ARG  34           HB2      ARG  34 -22.739  -5.109   0.208
  263    HB3  ARG  34           HB1      ARG  34 -21.605  -4.741  -1.084
  264    HG2  ARG  34           HG2      ARG  34 -20.348  -3.299   0.287
  265    HG3  ARG  34           HG1      ARG  34 -21.617  -3.233   1.512
  266    HD2  ARG  34           HD2      ARG  34 -19.964  -5.649   0.785
  267    HD3  ARG  34           HD1      ARG  34 -19.782  -4.663   2.236
  268    HE   ARG  34           HE       ARG  34 -22.426  -5.666   2.015
  269   HH11  ARG  34          HH11      ARG  34 -19.179  -6.614   2.859
  270   HH12  ARG  34          HH12      ARG  34 -19.690  -7.885   3.918
  271   HH21  ARG  34          HH21      ARG  34 -23.103  -7.335   3.407
  272   HH22  ARG  34          HH22      ARG  34 -21.920  -8.294   4.231
  273    H    LYS  35           HN       LYS  35 -23.917  -0.854  -0.378
  274    HA   LYS  35           HA       LYS  35 -24.482  -0.840   2.344
  275    HB2  LYS  35           HB2      LYS  35 -26.024   1.099   1.737
  276    HB3  LYS  35           HB1      LYS  35 -24.337   1.249   1.267
  277    HG2  LYS  35           HG2      LYS  35 -24.991   0.443  -1.011
  278    HG3  LYS  35           HG1      LYS  35 -26.674   0.565  -0.496
  279    HD2  LYS  35           HD2      LYS  35 -26.368   2.947  -0.044
  280    HD3  LYS  35           HD1      LYS  35 -24.678   2.827  -0.540
  281    HE2  LYS  35           HE2      LYS  35 -25.405   2.132  -2.783
  282    HE3  LYS  35           HE1      LYS  35 -27.086   2.304  -2.280
  283    HZ1  LYS  35           HZ1      LYS  35 -26.680   4.658  -1.882
  284    HZ2  LYS  35           HZ2      LYS  35 -26.336   4.248  -3.487
  285    HZ3  LYS  35           HZ3      LYS  35 -25.074   4.486  -2.387
  Start of MODEL    8
    1    H1   MET   1           HT1      MET   1 -26.796  -2.237   3.751
    2    H2   MET   1           HT2      MET   1 -28.092  -1.254   3.287
    3    H3   MET   1           HT3      MET   1 -27.388  -1.060   4.813
    4    HA   MET   1           HA       MET   1 -26.688   0.692   3.328
    5    HB2  MET   1           HB2      MET   1 -24.257   0.417   3.616
    6    HB3  MET   1           HB1      MET   1 -25.143  -0.037   5.065
    7    HG2  MET   1           HG2      MET   1 -24.951  -2.416   4.346
    8    HG3  MET   1           HG1      MET   1 -23.901  -1.877   3.037
    9    HE1  MET   1           HE1      MET   1 -22.874  -1.397   7.513
   10    HE2  MET   1           HE2      MET   1 -24.340  -2.186   6.930
   11    HE3  MET   1           HE3      MET   1 -24.120  -0.452   6.698
   12    H    THR   2           HN       THR   2 -24.993   1.158   1.588
   13    HA   THR   2           HA       THR   2 -25.646  -0.512  -0.726
   14    HB   THR   2           HB       THR   2 -24.114   1.825  -1.412
   15    HG1  THR   2           HG1      THR   2 -26.353   2.204   0.305
   16   HG21  THR   2          HG21      THR   2 -25.619   0.644  -2.925
   17   HG22  THR   2          HG22      THR   2 -26.114   2.328  -2.752
   18   HG23  THR   2          HG23      THR   2 -26.995   1.058  -1.902
   19    H    PHE   3           HN       PHE   3 -24.184  -1.648  -1.836
   20    HA   PHE   3           HA       PHE   3 -21.675  -2.245  -0.713
   21    HB2  PHE   3           HB2      PHE   3 -23.176  -3.608  -2.358
   22    HB3  PHE   3           HB1      PHE   3 -22.291  -2.739  -3.609
   23    HD1  PHE   3           HD1      PHE   3 -21.564  -4.582  -0.456
   24    HD2  PHE   3           HD2      PHE   3 -20.466  -3.802  -4.489
   25    HE1  PHE   3           HE1      PHE   3 -19.726  -6.209  -0.265
   26    HE2  PHE   3           HE2      PHE   3 -18.627  -5.428  -4.310
   27    HZ   PHE   3           HZ       PHE   3 -18.255  -6.635  -2.195
   28    H    ALA   4           HN       ALA   4 -22.685   0.015  -3.200
   29    HA   ALA   4           HA       ALA   4 -20.096   0.618  -4.190
   30    HB1  ALA   4           HB1      ALA   4 -22.601   2.300  -4.242
   31    HB2  ALA   4           HB2      ALA   4 -22.110   1.130  -5.466
   32    HB3  ALA   4           HB3      ALA   4 -21.147   2.583  -5.200
   33    H    GLU   5           HN       GLU   5 -22.133   2.060  -1.681
   34    HA   GLU   5           HA       GLU   5 -20.427   4.235  -1.093
   35    HB2  GLU   5           HB2      GLU   5 -22.444   2.838   0.675
   36    HB3  GLU   5           HB1      GLU   5 -21.701   4.394   1.019
   37    HG2  GLU   5           HG2      GLU   5 -23.487   3.765  -1.321
   38    HG3  GLU   5           HG1      GLU   5 -23.945   4.658   0.128
   39    H    LEU   6           HN       LEU   6 -20.566   0.913   0.029
   40    HA   LEU   6           HA       LEU   6 -18.485   1.363   2.008
   41    HB2  LEU   6           HB2      LEU   6 -20.438  -0.202   2.357
   42    HB3  LEU   6           HB1      LEU   6 -19.714  -1.255   1.156
   43    HG   LEU   6           HG       LEU   6 -17.929  -0.497   3.375
   44   HD11  LEU   6          HD11      LEU   6 -19.987  -0.733   4.625
   45   HD12  LEU   6          HD12      LEU   6 -18.947  -2.128   4.914
   46   HD13  LEU   6          HD13      LEU   6 -20.327  -2.267   3.825
   47   HD21  LEU   6          HD21      LEU   6 -17.223  -2.081   1.700
   48   HD22  LEU   6          HD22      LEU   6 -18.647  -3.078   1.991
   49   HD23  LEU   6          HD23      LEU   6 -17.414  -2.915   3.242
   50    H    GLY   7           HN       GLY   7 -18.716   0.647  -1.275
   51    HA2  GLY   7           HA2      GLY   7 -16.518  -1.115  -1.596
   52    HA3  GLY   7           HA1      GLY   7 -17.227  -0.113  -2.851
   53    H    MET   8           HN       MET   8 -16.765   2.418  -1.730
   54    HA   MET   8           HA       MET   8 -14.051   2.800  -2.506
   55    HB2  MET   8           HB2      MET   8 -16.000   4.725  -1.227
   56    HB3  MET   8           HB1      MET   8 -14.462   5.172  -1.954
   57    HG2  MET   8           HG2      MET   8 -16.788   3.916  -3.394
   58    HG3  MET   8           HG1      MET   8 -16.344   5.621  -3.441
   59    HE1  MET   8           HE1      MET   8 -15.411   4.362  -7.034
   60    HE2  MET   8           HE2      MET   8 -16.264   5.599  -6.111
   61    HE3  MET   8           HE3      MET   8 -16.798   3.920  -6.038
   62    H    ALA   9           HN       ALA   9 -15.743   3.195   0.607
   63    HA   ALA   9           HA       ALA   9 -13.516   3.952   2.116
   64    HB1  ALA   9           HB1      ALA   9 -15.946   2.421   3.039
   65    HB2  ALA   9           HB2      ALA   9 -15.821   4.175   2.906
   66    HB3  ALA   9           HB3      ALA   9 -14.821   3.305   4.070
   67    H    PHE  10           HN       PHE  10 -14.816   0.749   1.380
   68    HA   PHE  10           HA       PHE  10 -12.994  -0.686   3.021
   69    HB2  PHE  10           HB2      PHE  10 -15.002  -1.799   2.474
   70    HB3  PHE  10           HB1      PHE  10 -14.823  -1.461   0.758
   71    HD1  PHE  10           HD1      PHE  10 -14.688  -3.434  -0.373
   72    HD2  PHE  10           HD2      PHE  10 -12.515  -3.006   3.262
   73    HE1  PHE  10           HE1      PHE  10 -13.684  -5.655  -0.716
   74    HE2  PHE  10           HE2      PHE  10 -11.510  -5.227   2.927
   75    HZ   PHE  10           HZ       PHE  10 -12.094  -6.554   0.936
   76    H    TRP  11           HN       TRP  11 -13.057  -0.003  -0.481
   77    HA   TRP  11           HA       TRP  11 -10.711  -1.407  -1.112
   78    HB2  TRP  11           HB2      TRP  11 -12.392   0.618  -2.442
   79    HB3  TRP  11           HB1      TRP  11 -10.718   0.558  -2.985
   80    HD1  TRP  11           HD1      TRP  11 -13.968  -0.985  -3.670
   81    HE1  TRP  11           HE1      TRP  11 -13.694  -3.130  -5.066
   82    HE3  TRP  11           HE3      TRP  11  -8.935  -1.674  -3.116
   83    HZ2  TRP  11           HZ2      TRP  11 -11.617  -4.883  -5.830
   84    HZ3  TRP  11           HZ3      TRP  11  -7.881  -3.608  -4.212
   85    HH2  TRP  11           HH2      TRP  11  -9.196  -5.180  -5.540
   86    H    HIS  12           HN       HIS  12 -11.224   1.934  -0.118
   87    HA   HIS  12           HA       HIS  12  -8.541   2.769  -0.467
   88    HB2  HIS  12           HB2      HIS  12 -10.798   3.882   1.204
   89    HB3  HIS  12           HB1      HIS  12  -9.229   4.668   1.050
   90    HD1  HIS  12           HD1      HIS  12 -10.790   3.051  -1.950
   91    HD2  HIS  12           HD2      HIS  12 -10.341   6.833  -0.293
   92    HE1  HIS  12           HE1      HIS  12 -11.492   4.697  -3.738
   93    H    ASP  13           HN       ASP  13 -10.332   1.439   2.266
   94    HA   ASP  13           HA       ASP  13  -8.296   1.815   4.193
   95    HB2  ASP  13           HB2      ASP  13 -10.644   1.435   4.807
   96    HB3  ASP  13           HB1      ASP  13 -10.549  -0.201   4.160
   97    H    LEU  14           HN       LEU  14  -9.151  -0.935   2.111
   98    HA   LEU  14           HA       LEU  14  -7.134  -2.637   3.201
   99    HB2  LEU  14           HB2      LEU  14  -7.769  -4.236   1.618
  100    HB3  LEU  14           HB1      LEU  14  -9.244  -3.392   2.029
  101    HG   LEU  14           HG       LEU  14  -8.633  -1.975  -0.122
  102   HD11  LEU  14          HD11      LEU  14  -7.586  -4.626  -1.001
  103   HD12  LEU  14          HD12      LEU  14  -6.491  -3.458  -0.266
  104   HD13  LEU  14          HD13      LEU  14  -7.376  -3.034  -1.733
  105   HD21  LEU  14          HD21      LEU  14  -9.840  -4.738  -0.181
  106   HD22  LEU  14          HD22      LEU  14 -10.050  -3.500  -1.418
  107   HD23  LEU  14          HD23      LEU  14 -10.686  -3.240   0.206
  108    H    ALA  15           HN       ALA  15  -7.276  -0.316   0.620
  109    HA   ALA  15           HA       ALA  15  -4.915  -1.140  -0.725
  110    HB1  ALA  15           HB1      ALA  15  -6.676   0.239  -1.771
  111    HB2  ALA  15           HB2      ALA  15  -5.066   0.943  -1.924
  112    HB3  ALA  15           HB3      ALA  15  -6.200   1.586  -0.736
  113    H    ALA  16           HN       ALA  16  -5.554   1.063   1.940
  114    HA   ALA  16           HA       ALA  16  -3.261   2.554   2.040
  115    HB1  ALA  16           HB1      ALA  16  -5.219   2.745   3.572
  116    HB2  ALA  16           HB2      ALA  16  -3.651   2.874   4.370
  117    HB3  ALA  16           HB3      ALA  16  -4.576   1.378   4.480
  118    HA   PRO  17           HA       PRO  17  -0.850  -0.868   4.443
  119    HB2  PRO  17           HB2      PRO  17  -1.860  -3.388   4.475
  120    HB3  PRO  17           HB1      PRO  17  -2.281  -2.180   5.705
  121    HG2  PRO  17           HG2      PRO  17  -3.823  -3.029   3.300
  122    HG3  PRO  17           HG1      PRO  17  -4.388  -2.730   4.957
  123    HD2  PRO  17           HD2      PRO  17  -4.682  -0.912   2.983
  124    HD3  PRO  17           HD1      PRO  17  -4.435  -0.453   4.678
  125    H    VAL  18           HN       VAL  18  -2.624  -1.689   1.543
  126    HA   VAL  18           HA       VAL  18  -0.763  -3.569   0.496
  127    HB   VAL  18           HB       VAL  18  -2.862  -1.890  -0.887
  128   HG11  VAL  18          HG11      VAL  18  -1.153  -2.527  -2.489
  129   HG12  VAL  18          HG12      VAL  18  -2.630  -3.447  -2.772
  130   HG13  VAL  18          HG13      VAL  18  -1.259  -4.207  -1.963
  131   HG21  VAL  18          HG21      VAL  18  -3.530  -3.643   0.849
  132   HG22  VAL  18          HG22      VAL  18  -2.964  -4.838  -0.319
  133   HG23  VAL  18          HG23      VAL  18  -4.286  -3.748  -0.741
  134    H    ILE  19           HN       ILE  19  -1.324  -0.121  -0.103
  135    HA   ILE  19           HA       ILE  19   0.801   0.190  -1.958
  136    HB   ILE  19           HB       ILE  19  -0.550   2.304  -0.274
  137   HG12  ILE  19          HG12      ILE  19  -1.215   1.644  -3.131
  138   HG13  ILE  19          HG11      ILE  19  -1.984   0.777  -1.805
  139   HG21  ILE  19          HG21      ILE  19   0.149   3.819  -2.107
  140   HG22  ILE  19          HG22      ILE  19   1.068   2.488  -2.811
  141   HG23  ILE  19          HG23      ILE  19   1.507   3.120  -1.224
  142   HD11  ILE  19          HD11      ILE  19  -2.898   2.835  -0.945
  143   HD12  ILE  19          HD12      ILE  19  -3.339   2.638  -2.641
  144   HD13  ILE  19          HD13      ILE  19  -2.055   3.759  -2.188
  145    H    ALA  20           HN       ALA  20   0.489   0.606   1.525
  146    HA   ALA  20           HA       ALA  20   3.008   1.841   1.943
  147    HB1  ALA  20           HB1      ALA  20   2.657   1.360   4.292
  148    HB2  ALA  20           HB2      ALA  20   1.370   0.222   3.894
  149    HB3  ALA  20           HB3      ALA  20   1.156   1.942   3.570
  150    H    GLY  21           HN       GLY  21   1.923  -1.503   1.814
  151    HA2  GLY  21           HA2      GLY  21   4.300  -2.675   2.827
  152    HA3  GLY  21           HA1      GLY  21   3.076  -3.491   1.863
  153    H    ILE  22           HN       ILE  22   3.174  -2.050  -0.483
  154    HA   ILE  22           HA       ILE  22   5.447  -3.184  -1.746
  155    HB   ILE  22           HB       ILE  22   3.557  -1.095  -2.840
  156   HG12  ILE  22          HG12      ILE  22   3.454  -4.095  -3.196
  157   HG13  ILE  22          HG11      ILE  22   2.482  -3.222  -2.017
  158   HG21  ILE  22          HG21      ILE  22   4.273  -1.906  -5.032
  159   HG22  ILE  22          HG22      ILE  22   5.397  -3.022  -4.257
  160   HG23  ILE  22          HG23      ILE  22   5.639  -1.282  -4.107
  161   HD11  ILE  22          HD11      ILE  22   1.410  -1.981  -3.823
  162   HD12  ILE  22          HD12      ILE  22   1.207  -3.722  -4.018
  163   HD13  ILE  22          HD13      ILE  22   2.387  -2.856  -5.002
  164    H    LEU  23           HN       LEU  23   4.632   0.054  -0.638
  165    HA   LEU  23           HA       LEU  23   6.794   1.408  -1.848
  166    HB2  LEU  23           HB2      LEU  23   4.895   2.642  -1.043
  167    HB3  LEU  23           HB1      LEU  23   5.135   2.048   0.588
  168    HG   LEU  23           HG       LEU  23   7.222   3.332   0.754
  169   HD11  LEU  23          HD11      LEU  23   6.498   4.291  -2.010
  170   HD12  LEU  23          HD12      LEU  23   7.915   3.343  -1.557
  171   HD13  LEU  23          HD13      LEU  23   7.745   5.004  -0.988
  172   HD21  LEU  23          HD21      LEU  23   5.135   4.340   1.498
  173   HD22  LEU  23          HD22      LEU  23   4.847   4.967  -0.125
  174   HD23  LEU  23          HD23      LEU  23   6.214   5.559   0.819
  175    H    ALA  24           HN       ALA  24   6.412  -0.248   1.233
  176    HA   ALA  24           HA       ALA  24   8.842   0.566   2.405
  177    HB1  ALA  24           HB1      ALA  24   8.536  -1.350   3.907
  178    HB2  ALA  24           HB2      ALA  24   7.254  -1.959   2.860
  179    HB3  ALA  24           HB3      ALA  24   7.045  -0.428   3.711
  180    H    SER  25           HN       SER  25   7.997  -2.137   0.303
  181    HA   SER  25           HA       SER  25  10.419  -3.548   0.467
  182    HB2  SER  25           HB2      SER  25   8.386  -4.520  -0.509
  183    HB3  SER  25           HB1      SER  25   8.471  -3.375  -1.846
  184    HG   SER  25           HG       SER  25  10.818  -4.627  -1.626
  185    H    MET  26           HN       MET  26   9.411  -0.851  -1.563
  186    HA   MET  26           HA       MET  26  11.673  -0.904  -3.273
  187    HB2  MET  26           HB2      MET  26   9.785   1.358  -2.600
  188    HB3  MET  26           HB1      MET  26  10.975   1.398  -3.894
  189    HG2  MET  26           HG2      MET  26   9.828  -0.635  -4.846
  190    HG3  MET  26           HG1      MET  26   8.544  -0.351  -3.672
  191    HE1  MET  26           HE1      MET  26   7.072   1.897  -3.620
  192    HE2  MET  26           HE2      MET  26   7.300   3.226  -4.757
  193    HE3  MET  26           HE3      MET  26   8.553   2.854  -3.573
  194    H    ILE  27           HN       ILE  27  10.969   0.711  -0.223
  195    HA   ILE  27           HA       ILE  27  13.263   2.379  -0.205
  196    HB   ILE  27           HB       ILE  27  11.637   1.356   2.129
  197   HG12  ILE  27          HG12      ILE  27  11.491   3.993   0.649
  198   HG13  ILE  27          HG11      ILE  27  10.357   2.663   0.442
  199   HG21  ILE  27          HG21      ILE  27  12.586   3.269   3.351
  200   HG22  ILE  27          HG22      ILE  27  13.613   3.631   1.964
  201   HG23  ILE  27          HG23      ILE  27  13.826   2.120   2.848
  202   HD11  ILE  27          HD11      ILE  27   9.424   4.351   1.890
  203   HD12  ILE  27          HD12      ILE  27  10.818   4.236   2.964
  204   HD13  ILE  27          HD13      ILE  27   9.716   2.869   2.800
  205    H    VAL  28           HN       VAL  28  12.585  -0.825   1.153
  206    HA   VAL  28           HA       VAL  28  15.059  -1.142   2.477
  207    HB   VAL  28           HB       VAL  28  13.197  -3.268   1.401
  208   HG11  VAL  28          HG11      VAL  28  15.443  -3.465   3.405
  209   HG12  VAL  28          HG12      VAL  28  15.405  -4.185   1.796
  210   HG13  VAL  28          HG13      VAL  28  14.289  -4.747   3.040
  211   HG21  VAL  28          HG21      VAL  28  12.120  -1.774   3.006
  212   HG22  VAL  28          HG22      VAL  28  13.423  -2.061   4.157
  213   HG23  VAL  28          HG23      VAL  28  12.351  -3.381   3.692
  214    H    ASN  29           HN       ASN  29  13.956  -2.020  -0.769
  215    HA   ASN  29           HA       ASN  29  16.211  -3.462  -1.584
  216    HB2  ASN  29           HB2      ASN  29  14.207  -1.828  -3.144
  217    HB3  ASN  29           HB1      ASN  29  15.475  -2.773  -3.919
  218   HD21  ASN  29          HD21      ASN  29  12.584  -3.047  -4.082
  219   HD22  ASN  29          HD22      ASN  29  12.223  -4.655  -3.564
  220    H    TRP  30           HN       TRP  30  15.475  -0.005  -1.801
  221    HA   TRP  30           HA       TRP  30  17.796   0.756  -3.199
  222    HB2  TRP  30           HB2      TRP  30  16.158   2.394  -3.217
  223    HB3  TRP  30           HB1      TRP  30  15.775   2.178  -1.513
  224    HD1  TRP  30           HD1      TRP  30  18.845   3.473  -3.530
  225    HE1  TRP  30           HE1      TRP  30  19.775   5.531  -2.296
  226    HE3  TRP  30           HE3      TRP  30  15.625   3.556   0.434
  227    HZ2  TRP  30           HZ2      TRP  30  19.216   6.995   0.057
  228    HZ3  TRP  30           HZ3      TRP  30  15.889   5.311   2.135
  229    HH2  TRP  30           HH2      TRP  30  17.648   6.996   1.950
  230    H    LEU  31           HN       LEU  31  17.073   0.656   0.274
  231    HA   LEU  31           HA       LEU  31  19.525   1.692   1.162
  232    HB2  LEU  31           HB2      LEU  31  17.421  -0.020   2.431
  233    HB3  LEU  31           HB1      LEU  31  18.903   0.357   3.290
  234    HG   LEU  31           HG       LEU  31  17.187   2.535   2.141
  235   HD11  LEU  31          HD11      LEU  31  16.099   2.727   4.316
  236   HD12  LEU  31          HD12      LEU  31  16.926   1.268   4.861
  237   HD13  LEU  31          HD13      LEU  31  15.744   1.176   3.556
  238   HD21  LEU  31          HD21      LEU  31  18.271   3.886   3.821
  239   HD22  LEU  31          HD22      LEU  31  19.492   3.048   2.864
  240   HD23  LEU  31          HD23      LEU  31  19.088   2.469   4.479
  241    H    ASN  32           HN       ASN  32  18.545  -1.529   0.218
  242    HA   ASN  32           HA       ASN  32  20.761  -2.920   1.307
  243    HB2  ASN  32           HB2      ASN  32  18.887  -3.600  -0.965
  244    HB3  ASN  32           HB1      ASN  32  20.114  -4.705  -0.352
  245   HD21  ASN  32          HD21      ASN  32  17.228  -5.000  -0.403
  246   HD22  ASN  32          HD22      ASN  32  16.734  -5.228   1.237
  247    H    LYS  33           HN       LYS  33  20.431  -0.835  -1.362
  248    HA   LYS  33           HA       LYS  33  22.690  -1.927  -2.820
  249    HB2  LYS  33           HB2      LYS  33  20.780  -1.004  -4.057
  250    HB3  LYS  33           HB1      LYS  33  21.044   0.564  -3.308
  251    HG2  LYS  33           HG2      LYS  33  23.304  -0.643  -4.800
  252    HG3  LYS  33           HG1      LYS  33  21.939  -0.022  -5.730
  253    HD2  LYS  33           HD2      LYS  33  22.176   2.147  -4.576
  254    HD3  LYS  33           HD1      LYS  33  23.581   1.516  -3.715
  255    HE2  LYS  33           HE2      LYS  33  24.732   1.173  -5.846
  256    HE3  LYS  33           HE1      LYS  33  23.326   1.793  -6.709
  257    HZ1  LYS  33           HZ1      LYS  33  24.980   3.325  -4.774
  258    HZ2  LYS  33           HZ2      LYS  33  23.634   3.922  -5.608
  259    HZ3  LYS  33           HZ3      LYS  33  25.030   3.485  -6.458
  260    H    ARG  34           HN       ARG  34  21.944   0.769  -0.696
  261    HA   ARG  34           HA       ARG  34  24.636   1.849  -0.994
  262    HB2  ARG  34           HB2      ARG  34  23.841   3.663   0.474
  263    HB3  ARG  34           HB1      ARG  34  22.813   3.455  -0.935
  264    HG2  ARG  34           HG2      ARG  34  21.139   2.343   0.377
  265    HG3  ARG  34           HG1      ARG  34  22.196   2.335   1.791
  266    HD2  ARG  34           HD2      ARG  34  21.126   4.798   0.414
  267    HD3  ARG  34           HD1      ARG  34  20.497   4.109   1.909
  268    HE   ARG  34           HE       ARG  34  23.264   4.638   2.156
  269   HH11  ARG  34          HH11      ARG  34  20.168   6.238   2.052
  270   HH12  ARG  34          HH12      ARG  34  20.693   7.591   2.998
  271   HH21  ARG  34          HH21      ARG  34  23.959   6.415   3.401
  272   HH22  ARG  34          HH22      ARG  34  22.847   7.692   3.762
  273    H    LYS  35           HN       LYS  35  24.011  -0.776   0.286
  274    HA   LYS  35           HA       LYS  35  24.273  -0.665   3.061
  275    HB2  LYS  35           HB2      LYS  35  25.205  -2.997   2.828
  276    HB3  LYS  35           HB1      LYS  35  23.644  -2.728   2.067
  277    HG2  LYS  35           HG2      LYS  35  24.828  -2.435  -0.104
  278    HG3  LYS  35           HG1      LYS  35  26.324  -2.896   0.708
  279    HD2  LYS  35           HD2      LYS  35  23.838  -4.599   0.537
  280    HD3  LYS  35           HD1      LYS  35  25.269  -4.784  -0.478
  281    HE2  LYS  35           HE2      LYS  35  26.619  -5.237   1.516
  282    HE3  LYS  35           HE1      LYS  35  25.185  -5.058   2.526
  283    HZ1  LYS  35           HZ1      LYS  35  25.649  -7.377   2.104
  284    HZ2  LYS  35           HZ2      LYS  35  25.595  -7.124   0.432
  285    HZ3  LYS  35           HZ3      LYS  35  24.193  -6.942   1.360
  Start of MODEL    9
    1    H1   MET   1           HT1      MET   1 -26.167   1.414  -4.839
    2    H2   MET   1           HT2      MET   1 -27.430   0.424  -4.304
    3    H3   MET   1           HT3      MET   1 -26.633   0.068  -5.752
    4    HA   MET   1           HA       MET   1 -25.922  -1.417  -4.005
    5    HB2  MET   1           HB2      MET   1 -24.336  -0.766  -5.780
    6    HB3  MET   1           HB1      MET   1 -23.799   0.589  -4.797
    7    HG2  MET   1           HG2      MET   1 -22.256  -1.318  -4.723
    8    HG3  MET   1           HG1      MET   1 -22.905  -0.902  -3.138
    9    HE1  MET   1           HE1      MET   1 -23.186  -3.357  -6.193
   10    HE2  MET   1           HE2      MET   1 -24.850  -2.811  -5.980
   11    HE3  MET   1           HE3      MET   1 -24.418  -4.485  -5.627
   12    H    THR   2           HN       THR   2 -24.942  -1.749  -1.985
   13    HA   THR   2           HA       THR   2 -25.614   0.236  -0.025
   14    HB   THR   2           HB       THR   2 -24.170  -1.661   1.339
   15    HG1  THR   2           HG1      THR   2 -23.983  -2.849  -0.675
   16   HG21  THR   2          HG21      THR   2 -27.095  -1.745   0.590
   17   HG22  THR   2          HG22      THR   2 -26.392  -0.844   1.932
   18   HG23  THR   2          HG23      THR   2 -26.356  -2.607   1.939
   19    H    PHE   3           HN       PHE   3 -24.344   1.692   0.907
   20    HA   PHE   3           HA       PHE   3 -21.753   2.232  -0.057
   21    HB2  PHE   3           HB2      PHE   3 -23.516   3.771   1.138
   22    HB3  PHE   3           HB1      PHE   3 -22.676   3.261   2.599
   23    HD1  PHE   3           HD1      PHE   3 -21.897   4.543  -0.808
   24    HD2  PHE   3           HD2      PHE   3 -20.933   4.558   3.334
   25    HE1  PHE   3           HE1      PHE   3 -20.171   6.243  -1.222
   26    HE2  PHE   3           HE2      PHE   3 -19.204   6.263   2.930
   27    HZ   PHE   3           HZ       PHE   3 -18.821   7.109   0.649
   28    H    ALA   4           HN       ALA   4 -22.933   0.476   2.746
   29    HA   ALA   4           HA       ALA   4 -20.427   0.254   4.070
   30    HB1  ALA   4           HB1      ALA   4 -22.882  -1.485   4.304
   31    HB2  ALA   4           HB2      ALA   4 -22.531  -0.046   5.263
   32    HB3  ALA   4           HB3      ALA   4 -21.513  -1.479   5.416
   33    H    GLU   5           HN       GLU   5 -22.200  -1.839   1.825
   34    HA   GLU   5           HA       GLU   5 -20.343  -3.975   1.903
   35    HB2  GLU   5           HB2      GLU   5 -22.408  -3.188  -0.154
   36    HB3  GLU   5           HB1      GLU   5 -21.448  -4.658  -0.260
   37    HG2  GLU   5           HG2      GLU   5 -23.331  -3.949   1.979
   38    HG3  GLU   5           HG1      GLU   5 -23.666  -5.077   0.665
   39    H    LEU   6           HN       LEU   6 -20.560  -1.020   0.052
   40    HA   LEU   6           HA       LEU   6 -18.375  -1.796  -1.703
   41    HB2  LEU   6           HB2      LEU   6 -20.411  -0.394  -2.389
   42    HB3  LEU   6           HB1      LEU   6 -19.650   0.923  -1.513
   43    HG   LEU   6           HG       LEU   6 -17.930  -0.406  -3.506
   44   HD11  LEU   6          HD11      LEU   6 -20.299   1.261  -4.344
   45   HD12  LEU   6          HD12      LEU   6 -20.047  -0.447  -4.701
   46   HD13  LEU   6          HD13      LEU   6 -18.968   0.765  -5.389
   47   HD21  LEU   6          HD21      LEU   6 -17.156   1.536  -2.306
   48   HD22  LEU   6          HD22      LEU   6 -18.577   2.454  -2.801
   49   HD23  LEU   6          HD23      LEU   6 -17.384   1.960  -4.002
   50    H    GLY   7           HN       GLY   7 -18.790  -0.387   1.335
   51    HA2  GLY   7           HA2      GLY   7 -16.672   1.495   1.348
   52    HA3  GLY   7           HA1      GLY   7 -17.391   0.746   2.764
   53    H    MET   8           HN       MET   8 -16.811  -1.884   2.443
   54    HA   MET   8           HA       MET   8 -14.085  -1.979   3.221
   55    HB2  MET   8           HB2      MET   8 -16.002  -4.217   2.543
   56    HB3  MET   8           HB1      MET   8 -14.439  -4.429   3.321
   57    HG2  MET   8           HG2      MET   8 -16.675  -2.775   4.464
   58    HG3  MET   8           HG1      MET   8 -16.392  -4.467   4.865
   59    HE1  MET   8           HE1      MET   8 -16.281  -3.900   7.414
   60    HE2  MET   8           HE2      MET   8 -16.544  -2.184   7.107
   61    HE3  MET   8           HE3      MET   8 -15.202  -2.701   8.127
   62    H    ALA   9           HN       ALA   9 -15.799  -3.038   0.299
   63    HA   ALA   9           HA       ALA   9 -13.608  -4.217  -0.999
   64    HB1  ALA   9           HB1      ALA   9 -14.922  -4.017  -3.037
   65    HB2  ALA   9           HB2      ALA   9 -16.005  -2.873  -2.244
   66    HB3  ALA   9           HB3      ALA   9 -15.936  -4.548  -1.695
   67    H    PHE  10           HN       PHE  10 -14.880  -0.914  -1.126
   68    HA   PHE  10           HA       PHE  10 -12.995   0.039  -3.021
   69    HB2  PHE  10           HB2      PHE  10 -14.993   1.273  -2.852
   70    HB3  PHE  10           HB1      PHE  10 -14.887   1.375  -1.100
   71    HD1  PHE  10           HD1      PHE  10 -12.519   2.243  -3.861
   72    HD2  PHE  10           HD2      PHE  10 -14.697   3.545  -0.444
   73    HE1  PHE  10           HE1      PHE  10 -11.478   4.463  -4.049
   74    HE2  PHE  10           HE2      PHE  10 -13.656   5.768  -0.623
   75    HZ   PHE  10           HZ       PHE  10 -12.044   6.229  -2.427
   76    H    TRP  11           HN       TRP  11 -13.161   0.282   0.532
   77    HA   TRP  11           HA       TRP  11 -10.839   1.815   0.862
   78    HB2  TRP  11           HB2      TRP  11 -12.510   0.109   2.612
   79    HB3  TRP  11           HB1      TRP  11 -10.868   0.417   3.164
   80    HD1  TRP  11           HD1      TRP  11 -14.229   1.874   3.325
   81    HE1  TRP  11           HE1      TRP  11 -14.136   4.318   4.124
   82    HE3  TRP  11           HE3      TRP  11  -9.217   2.718   2.773
   83    HZ2  TRP  11           HZ2      TRP  11 -12.193   6.338   4.475
   84    HZ3  TRP  11           HZ3      TRP  11  -8.322   4.932   3.364
   85    HH2  TRP  11           HH2      TRP  11  -9.781   6.704   4.195
   86    H    HIS  12           HN       HIS  12 -11.292  -1.684   0.704
   87    HA   HIS  12           HA       HIS  12  -8.604  -2.350   1.304
   88    HB2  HIS  12           HB2      HIS  12 -10.847  -3.860  -0.028
   89    HB3  HIS  12           HB1      HIS  12  -9.248  -4.565   0.190
   90    HD1  HIS  12           HD1      HIS  12 -10.870  -2.422   2.839
   91    HD2  HIS  12           HD2      HIS  12 -10.041  -6.418   2.056
   92    HE1  HIS  12           HE1      HIS  12 -11.362  -3.681   4.977
   93    H    ASP  13           HN       ASP  13 -10.346  -1.787  -1.717
   94    HA   ASP  13           HA       ASP  13  -8.255  -2.581  -3.443
   95    HB2  ASP  13           HB2      ASP  13 -10.590  -2.396  -4.189
   96    HB3  ASP  13           HB1      ASP  13 -10.524  -0.651  -3.965
   97    H    LEU  14           HN       LEU  14  -9.182   0.587  -2.119
   98    HA   LEU  14           HA       LEU  14  -7.141   1.990  -3.542
   99    HB2  LEU  14           HB2      LEU  14  -7.837   3.919  -2.446
  100    HB3  LEU  14           HB1      LEU  14  -9.296   2.973  -2.613
  101    HG   LEU  14           HG       LEU  14  -8.653   2.188  -0.165
  102   HD11  LEU  14          HD11      LEU  14  -7.478   4.959  -0.301
  103   HD12  LEU  14          HD12      LEU  14  -6.531   3.477  -0.200
  104   HD13  LEU  14          HD13      LEU  14  -7.608   3.926   1.123
  105   HD21  LEU  14          HD21      LEU  14  -9.949   4.806  -0.909
  106   HD22  LEU  14          HD22      LEU  14 -10.063   4.050   0.679
  107   HD23  LEU  14          HD23      LEU  14 -10.739   3.239  -0.732
  108    H    ALA  15           HN       ALA  15  -7.354   0.363  -0.486
  109    HA   ALA  15           HA       ALA  15  -5.036   1.497   0.691
  110    HB1  ALA  15           HB1      ALA  15  -6.290  -1.176   1.294
  111    HB2  ALA  15           HB2      ALA  15  -6.819   0.363   1.975
  112    HB3  ALA  15           HB3      ALA  15  -5.204  -0.252   2.335
  113    H    ALA  16           HN       ALA  16  -5.583  -1.254  -1.425
  114    HA   ALA  16           HA       ALA  16  -3.276  -2.698  -1.115
  115    HB1  ALA  16           HB1      ALA  16  -5.215  -3.237  -2.616
  116    HB2  ALA  16           HB2      ALA  16  -3.620  -3.591  -3.280
  117    HB3  ALA  16           HB3      ALA  16  -4.497  -2.158  -3.811
  118    HA   PRO  17           HA       PRO  17  -0.831   0.101  -4.186
  119    HB2  PRO  17           HB2      PRO  17  -1.871   2.526  -4.847
  120    HB3  PRO  17           HB1      PRO  17  -2.208   1.053  -5.776
  121    HG2  PRO  17           HG2      PRO  17  -3.889   2.412  -3.731
  122    HG3  PRO  17           HG1      PRO  17  -4.360   1.682  -5.279
  123    HD2  PRO  17           HD2      PRO  17  -4.710   0.423  -2.909
  124    HD3  PRO  17           HD1      PRO  17  -4.399  -0.442  -4.424
  125    H    VAL  18           HN       VAL  18  -2.700   1.566  -1.614
  126    HA   VAL  18           HA       VAL  18  -0.897   3.675  -1.000
  127    HB   VAL  18           HB       VAL  18  -2.988   2.307   0.703
  128   HG11  VAL  18          HG11      VAL  18  -1.306   3.321   2.139
  129   HG12  VAL  18          HG12      VAL  18  -2.812   4.236   2.204
  130   HG13  VAL  18          HG13      VAL  18  -1.452   4.843   1.259
  131   HG21  VAL  18          HG21      VAL  18  -4.415   4.117   0.163
  132   HG22  VAL  18          HG22      VAL  18  -3.701   3.590  -1.361
  133   HG23  VAL  18          HG23      VAL  18  -3.095   5.037  -0.558
  134    H    ILE  19           HN       ILE  19  -1.408   0.458   0.397
  135    HA   ILE  19           HA       ILE  19   0.698   0.640   2.290
  136    HB   ILE  19           HB       ILE  19  -0.585  -1.847   1.154
  137   HG12  ILE  19          HG12      ILE  19  -1.346  -0.522   3.742
  138   HG13  ILE  19          HG11      ILE  19  -2.083  -0.015   2.226
  139   HG21  ILE  19          HG21      ILE  19   1.491  -2.289   2.345
  140   HG22  ILE  19          HG22      ILE  19   0.106  -2.882   3.262
  141   HG23  ILE  19          HG23      ILE  19   0.900  -1.381   3.736
  142   HD11  ILE  19          HD11      ILE  19  -3.450  -1.641   3.435
  143   HD12  ILE  19          HD12      ILE  19  -2.136  -2.813   3.331
  144   HD13  ILE  19          HD13      ILE  19  -2.933  -2.248   1.862
  145    H    ALA  20           HN       ALA  20   0.414  -0.821  -0.927
  146    HA   ALA  20           HA       ALA  20   2.970  -1.995  -1.011
  147    HB1  ALA  20           HB1      ALA  20   2.632  -2.141  -3.417
  148    HB2  ALA  20           HB2      ALA  20   1.290  -1.002  -3.312
  149    HB3  ALA  20           HB3      ALA  20   1.160  -2.591  -2.556
  150    H    GLY  21           HN       GLY  21   1.812   1.231  -1.832
  151    HA2  GLY  21           HA2      GLY  21   4.126   2.167  -3.137
  152    HA3  GLY  21           HA1      GLY  21   2.929   3.174  -2.334
  153    H    ILE  22           HN       ILE  22   3.169   2.300   0.278
  154    HA   ILE  22           HA       ILE  22   5.451   3.743   1.144
  155    HB   ILE  22           HB       ILE  22   3.681   1.897   2.756
  156   HG12  ILE  22          HG12      ILE  22   3.488   4.901   2.495
  157   HG13  ILE  22          HG11      ILE  22   2.532   3.792   1.518
  158   HG21  ILE  22          HG21      ILE  22   4.453   3.217   4.679
  159   HG22  ILE  22          HG22      ILE  22   5.538   4.114   3.617
  160   HG23  ILE  22          HG23      ILE  22   5.785   2.386   3.873
  161   HD11  ILE  22          HD11      ILE  22   1.260   4.628   3.406
  162   HD12  ILE  22          HD12      ILE  22   2.475   4.000   4.520
  163   HD13  ILE  22          HD13      ILE  22   1.514   2.889   3.542
  164    H    LEU  23           HN       LEU  23   4.685   0.311   0.896
  165    HA   LEU  23           HA       LEU  23   6.954  -0.684   2.234
  166    HB2  LEU  23           HB2      LEU  23   5.059  -2.108   1.827
  167    HB3  LEU  23           HB1      LEU  23   5.203  -1.889   0.095
  168    HG   LEU  23           HG       LEU  23   7.310  -3.140   0.097
  169   HD11  LEU  23          HD11      LEU  23   8.117  -2.589   2.312
  170   HD12  LEU  23          HD12      LEU  23   8.015  -4.339   2.125
  171   HD13  LEU  23          HD13      LEU  23   6.782  -3.477   3.046
  172   HD21  LEU  23          HD21      LEU  23   6.383  -5.331   0.540
  173   HD22  LEU  23          HD22      LEU  23   5.166  -4.307  -0.221
  174   HD23  LEU  23          HD23      LEU  23   5.097  -4.618   1.513
  175    H    ALA  24           HN       ALA  24   6.389   0.319  -1.077
  176    HA   ALA  24           HA       ALA  24   8.716  -0.729  -2.247
  177    HB1  ALA  24           HB1      ALA  24   8.351   0.919  -4.019
  178    HB2  ALA  24           HB2      ALA  24   7.179   1.756  -3.000
  179    HB3  ALA  24           HB3      ALA  24   6.845   0.119  -3.566
  180    H    SER  25           HN       SER  25   8.070   2.381  -0.681
  181    HA   SER  25           HA       SER  25  10.549   3.587  -1.165
  182    HB2  SER  25           HB2      SER  25   8.628   4.854  -0.332
  183    HB3  SER  25           HB1      SER  25   8.674   3.957   1.185
  184    HG   SER  25           HG       SER  25  10.843   5.508   0.225
  185    H    MET  26           HN       MET  26   9.492   1.325   1.295
  186    HA   MET  26           HA       MET  26  11.754   1.540   2.983
  187    HB2  MET  26           HB2      MET  26   9.836  -0.766   2.588
  188    HB3  MET  26           HB1      MET  26  10.988  -0.623   3.909
  189    HG2  MET  26           HG2      MET  26   9.858   1.332   4.741
  190    HG3  MET  26           HG1      MET  26   8.763   1.326   3.361
  191    HE1  MET  26           HE1      MET  26   8.809  -2.024   6.538
  192    HE2  MET  26           HE2      MET  26   9.921  -0.655   6.562
  193    HE3  MET  26           HE3      MET  26  10.030  -1.858   5.277
  194    H    ILE  27           HN       ILE  27  10.930  -0.620   0.304
  195    HA   ILE  27           HA       ILE  27  13.202  -2.271   0.456
  196    HB   ILE  27           HB       ILE  27  11.514  -1.571  -1.951
  197   HG12  ILE  27          HG12      ILE  27  11.431  -3.987  -0.130
  198   HG13  ILE  27          HG11      ILE  27  10.306  -2.635  -0.052
  199   HG21  ILE  27          HG21      ILE  27  12.421  -3.633  -2.941
  200   HG22  ILE  27          HG22      ILE  27  13.505  -3.804  -1.561
  201   HG23  ILE  27          HG23      ILE  27  13.674  -2.427  -2.650
  202   HD11  ILE  27          HD11      ILE  27   9.510  -3.148  -2.285
  203   HD12  ILE  27          HD12      ILE  27   9.360  -4.551  -1.226
  204   HD13  ILE  27          HD13      ILE  27  10.667  -4.472  -2.407
  205    H    VAL  28           HN       VAL  28  12.567   0.698  -1.381
  206    HA   VAL  28           HA       VAL  28  15.023   0.739  -2.773
  207    HB   VAL  28           HB       VAL  28  13.238   3.061  -2.023
  208   HG11  VAL  28          HG11      VAL  28  15.434   2.856  -4.083
  209   HG12  VAL  28          HG12      VAL  28  15.459   3.834  -2.616
  210   HG13  VAL  28          HG13      VAL  28  14.324   4.215  -3.912
  211   HG21  VAL  28          HG21      VAL  28  12.331   2.819  -4.280
  212   HG22  VAL  28          HG22      VAL  28  12.080   1.354  -3.332
  213   HG23  VAL  28          HG23      VAL  28  13.358   1.411  -4.546
  214    H    ASN  29           HN       ASN  29  14.002   2.164   0.304
  215    HA   ASN  29           HA       ASN  29  16.328   3.644   0.825
  216    HB2  ASN  29           HB2      ASN  29  14.290   2.399   2.674
  217    HB3  ASN  29           HB1      ASN  29  15.605   3.416   3.251
  218   HD21  ASN  29          HD21      ASN  29  12.729   3.829   3.394
  219   HD22  ASN  29          HD22      ASN  29  12.418   5.331   2.600
  220    H    TRP  30           HN       TRP  30  15.523   0.277   1.353
  221    HA   TRP  30           HA       TRP  30  17.777  -0.363   2.959
  222    HB2  TRP  30           HB2      TRP  30  16.044  -1.897   3.168
  223    HB3  TRP  30           HB1      TRP  30  15.728  -1.932   1.438
  224    HD1  TRP  30           HD1      TRP  30  18.718  -2.987   3.706
  225    HE1  TRP  30           HE1      TRP  30  19.572  -5.261   2.851
  226    HE3  TRP  30           HE3      TRP  30  15.506  -3.639  -0.218
  227    HZ2  TRP  30           HZ2      TRP  30  18.964  -7.087   0.785
  228    HZ3  TRP  30           HZ3      TRP  30  15.707  -5.675  -1.584
  229    HH2  TRP  30           HH2      TRP  30  17.402  -7.362  -1.092
  230    H    LEU  31           HN       LEU  31  17.080  -0.799  -0.504
  231    HA   LEU  31           HA       LEU  31  19.533  -1.993  -1.175
  232    HB2  LEU  31           HB2      LEU  31  17.379  -0.607  -2.693
  233    HB3  LEU  31           HB1      LEU  31  18.906  -0.909  -3.502
  234    HG   LEU  31           HG       LEU  31  17.298  -3.083  -2.170
  235   HD11  LEU  31          HD11      LEU  31  15.955  -2.098  -3.934
  236   HD12  LEU  31          HD12      LEU  31  16.545  -3.686  -4.424
  237   HD13  LEU  31          HD13      LEU  31  17.307  -2.228  -5.059
  238   HD21  LEU  31          HD21      LEU  31  18.676  -4.561  -3.519
  239   HD22  LEU  31          HD22      LEU  31  19.687  -3.536  -2.500
  240   HD23  LEU  31          HD23      LEU  31  19.511  -3.173  -4.216
  241    H    ASN  32           HN       ASN  32  18.573   1.360  -0.857
  242    HA   ASN  32           HA       ASN  32  20.843   2.486  -2.132
  243    HB2  ASN  32           HB2      ASN  32  18.803   3.575  -0.204
  244    HB3  ASN  32           HB1      ASN  32  20.163   4.550  -0.753
  245   HD21  ASN  32          HD21      ASN  32  18.593   2.164  -2.763
  246   HD22  ASN  32          HD22      ASN  32  17.869   3.284  -3.860
  247    H    LYS  33           HN       LYS  33  20.468   0.879   0.805
  248    HA   LYS  33           HA       LYS  33  22.679   2.250   2.120
  249    HB2  LYS  33           HB2      LYS  33  20.762   1.668   3.499
  250    HB3  LYS  33           HB1      LYS  33  20.899  -0.020   3.029
  251    HG2  LYS  33           HG2      LYS  33  23.268   1.217   4.300
  252    HG3  LYS  33           HG1      LYS  33  21.859   0.924   5.322
  253    HD2  LYS  33           HD2      LYS  33  21.861  -1.428   4.663
  254    HD3  LYS  33           HD1      LYS  33  23.248  -1.141   3.610
  255    HE2  LYS  33           HE2      LYS  33  23.193  -0.801   6.608
  256    HE3  LYS  33           HE1      LYS  33  23.934  -2.138   5.731
  257    HZ1  LYS  33           HZ1      LYS  33  25.579  -0.501   6.377
  258    HZ2  LYS  33           HZ2      LYS  33  24.744   0.713   5.549
  259    HZ3  LYS  33           HZ3      LYS  33  25.449  -0.562   4.691
  260    H    ARG  34           HN       ARG  34  21.870  -0.952   0.830
  261    HA   ARG  34           HA       ARG  34  24.512  -1.976   1.385
  262    HB2  ARG  34           HB2      ARG  34  23.714  -4.021   0.274
  263    HB3  ARG  34           HB1      ARG  34  22.605  -3.480   1.527
  264    HG2  ARG  34           HG2      ARG  34  21.090  -2.599  -0.112
  265    HG3  ARG  34           HG1      ARG  34  22.236  -2.936  -1.411
  266    HD2  ARG  34           HD2      ARG  34  20.944  -5.005   0.364
  267    HD3  ARG  34           HD1      ARG  34  20.442  -4.617  -1.280
  268    HE   ARG  34           HE       ARG  34  23.199  -5.331  -1.148
  269   HH11  ARG  34          HH11      ARG  34  19.968  -6.639  -1.211
  270   HH12  ARG  34          HH12      ARG  34  20.459  -8.158  -1.884
  271   HH21  ARG  34          HH21      ARG  34  23.852  -7.326  -2.034
  272   HH22  ARG  34          HH22      ARG  34  22.667  -8.549  -2.349
  273    H    LYS  35           HN       LYS  35  24.112   0.356  -0.441
  274    HA   LYS  35           HA       LYS  35  24.539  -0.335  -3.109
  275    HB2  LYS  35           HB2      LYS  35  25.597   1.955  -3.275
  276    HB3  LYS  35           HB1      LYS  35  23.969   1.913  -2.616
  277    HG2  LYS  35           HG2      LYS  35  24.986   1.999  -0.329
  278    HG3  LYS  35           HG1      LYS  35  26.547   2.270  -1.106
  279    HD2  LYS  35           HD2      LYS  35  25.595   4.270  -2.217
  280    HD3  LYS  35           HD1      LYS  35  24.096   4.017  -1.319
  281    HE2  LYS  35           HE2      LYS  35  26.821   4.577  -0.152
  282    HE3  LYS  35           HE1      LYS  35  25.457   5.693  -0.219
  283    HZ1  LYS  35           HZ1      LYS  35  24.211   4.143   1.195
  284    HZ2  LYS  35           HZ2      LYS  35  25.607   4.718   1.956
  285    HZ3  LYS  35           HZ3      LYS  35  25.578   3.153   1.314
  Start of MODEL   10
    1    H1   MET   1           HT1      MET   1 -27.360   2.265  -3.186
    2    H2   MET   1           HT2      MET   1 -27.985   0.694  -3.178
    3    H3   MET   1           HT3      MET   1 -27.337   1.337  -4.601
    4    HA   MET   1           HA       MET   1 -25.809  -0.223  -3.604
    5    HB2  MET   1           HB2      MET   1 -24.919   1.688  -4.864
    6    HB3  MET   1           HB1      MET   1 -24.909   2.658  -3.399
    7    HG2  MET   1           HG2      MET   1 -22.686   1.831  -3.966
    8    HG3  MET   1           HG1      MET   1 -23.240   1.213  -2.411
    9    HE1  MET   1           HE1      MET   1 -24.266   0.050  -6.041
   10    HE2  MET   1           HE2      MET   1 -23.115  -1.260  -6.305
   11    HE3  MET   1           HE3      MET   1 -22.544   0.403  -6.172
   12    H    THR   2           HN       THR   2 -24.451  -0.816  -1.864
   13    HA   THR   2           HA       THR   2 -25.433   0.128   0.742
   14    HB   THR   2           HB       THR   2 -23.974  -2.108   1.318
   15    HG1  THR   2           HG1      THR   2 -25.231  -3.430  -0.545
   16   HG21  THR   2          HG21      THR   2 -26.893  -2.017   0.546
   17   HG22  THR   2          HG22      THR   2 -26.232  -1.587   2.123
   18   HG23  THR   2          HG23      THR   2 -26.123  -3.249   1.545
   19    H    PHE   3           HN       PHE   3 -24.139   1.161   2.097
   20    HA   PHE   3           HA       PHE   3 -21.579   2.037   1.330
   21    HB2  PHE   3           HB2      PHE   3 -23.296   3.048   3.019
   22    HB3  PHE   3           HB1      PHE   3 -22.470   2.028   4.194
   23    HD1  PHE   3           HD1      PHE   3 -21.543   4.339   1.426
   24    HD2  PHE   3           HD2      PHE   3 -20.839   3.064   5.421
   25    HE1  PHE   3           HE1      PHE   3 -19.796   6.058   1.660
   26    HE2  PHE   3           HE2      PHE   3 -19.091   4.780   5.667
   27    HZ   PHE   3           HZ       PHE   3 -18.568   6.280   3.784
   28    H    ALA   4           HN       ALA   4 -22.663  -0.599   3.396
   29    HA   ALA   4           HA       ALA   4 -20.107  -1.235   4.458
   30    HB1  ALA   4           HB1      ALA   4 -22.174  -1.950   5.545
   31    HB2  ALA   4           HB2      ALA   4 -21.138  -3.329   5.178
   32    HB3  ALA   4           HB3      ALA   4 -22.544  -2.990   4.169
   33    H    GLU   5           HN       GLU   5 -21.971  -2.447   1.704
   34    HA   GLU   5           HA       GLU   5 -20.104  -4.448   0.960
   35    HB2  GLU   5           HB2      GLU   5 -22.270  -3.060  -0.620
   36    HB3  GLU   5           HB1      GLU   5 -21.336  -4.421  -1.224
   37    HG2  GLU   5           HG2      GLU   5 -23.146  -4.434   1.181
   38    HG3  GLU   5           HG1      GLU   5 -23.495  -5.144  -0.395
   39    H    LEU   6           HN       LEU   6 -20.496  -1.055   0.150
   40    HA   LEU   6           HA       LEU   6 -18.419  -1.146  -1.872
   41    HB2  LEU   6           HB2      LEU   6 -20.535   0.366  -1.819
   42    HB3  LEU   6           HB1      LEU   6 -19.596   1.362  -0.723
   43    HG   LEU   6           HG       LEU   6 -18.323   0.640  -3.309
   44   HD11  LEU   6          HD11      LEU   6 -20.512   2.701  -3.077
   45   HD12  LEU   6          HD12      LEU   6 -20.608   1.189  -3.981
   46   HD13  LEU   6          HD13      LEU   6 -19.472   2.444  -4.478
   47   HD21  LEU   6          HD21      LEU   6 -18.385   3.025  -1.479
   48   HD22  LEU   6          HD22      LEU   6 -17.662   3.083  -3.085
   49   HD23  LEU   6          HD23      LEU   6 -17.021   1.979  -1.871
   50    H    GLY   7           HN       GLY   7 -18.606  -0.821   1.489
   51    HA2  GLY   7           HA2      GLY   7 -16.465   0.987   1.943
   52    HA3  GLY   7           HA1      GLY   7 -17.101  -0.169   3.102
   53    H    MET   8           HN       MET   8 -16.563  -2.570   2.139
   54    HA   MET   8           HA       MET   8 -13.797  -2.864   2.590
   55    HB2  MET   8           HB2      MET   8 -15.784  -4.827   1.429
   56    HB3  MET   8           HB1      MET   8 -14.175  -5.240   2.006
   57    HG2  MET   8           HG2      MET   8 -16.359  -4.051   3.699
   58    HG3  MET   8           HG1      MET   8 -15.958  -5.766   3.620
   59    HE1  MET   8           HE1      MET   8 -14.613  -4.853   7.154
   60    HE2  MET   8           HE2      MET   8 -15.623  -5.947   6.207
   61    HE3  MET   8           HE3      MET   8 -16.082  -4.254   6.384
   62    H    ALA   9           HN       ALA   9 -15.728  -3.096  -0.386
   63    HA   ALA   9           HA       ALA   9 -13.645  -3.835  -2.105
   64    HB1  ALA   9           HB1      ALA   9 -16.098  -2.213  -2.777
   65    HB2  ALA   9           HB2      ALA   9 -16.023  -3.974  -2.700
   66    HB3  ALA   9           HB3      ALA   9 -15.087  -3.104  -3.916
   67    H    PHE  10           HN       PHE  10 -14.879  -0.608  -1.263
   68    HA   PHE  10           HA       PHE  10 -13.077   0.787  -2.957
   69    HB2  PHE  10           HB2      PHE  10 -15.044   1.947  -2.364
   70    HB3  PHE  10           HB1      PHE  10 -14.820   1.623  -0.650
   71    HD1  PHE  10           HD1      PHE  10 -14.509   3.563   0.502
   72    HD2  PHE  10           HD2      PHE  10 -12.631   3.114  -3.291
   73    HE1  PHE  10           HE1      PHE  10 -13.422   5.751   0.787
   74    HE2  PHE  10           HE2      PHE  10 -11.542   5.303  -3.016
   75    HZ   PHE  10           HZ       PHE  10 -11.936   6.625  -0.975
   76    H    TRP  11           HN       TRP  11 -13.043   0.075   0.530
   77    HA   TRP  11           HA       TRP  11 -10.685   1.472   1.117
   78    HB2  TRP  11           HB2      TRP  11 -12.265  -0.658   2.457
   79    HB3  TRP  11           HB1      TRP  11 -10.619  -0.394   3.017
   80    HD1  TRP  11           HD1      TRP  11 -14.060   0.874   3.489
   81    HE1  TRP  11           HE1      TRP  11 -14.043   3.039   4.876
   82    HE3  TRP  11           HE3      TRP  11  -9.065   1.932   3.273
   83    HZ2  TRP  11           HZ2      TRP  11 -12.158   4.944   5.766
   84    HZ3  TRP  11           HZ3      TRP  11  -8.236   3.944   4.421
   85    HH2  TRP  11           HH2      TRP  11  -9.752   5.419   5.639
   86    H    HIS  12           HN       HIS  12 -11.212  -1.848   0.049
   87    HA   HIS  12           HA       HIS  12  -8.515  -2.680   0.329
   88    HB2  HIS  12           HB2      HIS  12 -10.831  -3.745  -1.282
   89    HB3  HIS  12           HB1      HIS  12  -9.239  -4.495  -1.323
   90    HD1  HIS  12           HD1      HIS  12 -10.518  -3.162   1.932
   91    HD2  HIS  12           HD2      HIS  12 -10.235  -6.786  -0.080
   92    HE1  HIS  12           HE1      HIS  12 -11.028  -4.960   3.635
   93    H    ASP  13           HN       ASP  13 -10.371  -1.294  -2.328
   94    HA   ASP  13           HA       ASP  13  -8.380  -1.583  -4.311
   95    HB2  ASP  13           HB2      ASP  13 -10.783  -1.195  -4.793
   96    HB3  ASP  13           HB1      ASP  13 -10.616   0.448  -4.183
   97    H    LEU  14           HN       LEU  14  -9.211   1.094  -2.127
   98    HA   LEU  14           HA       LEU  14  -7.235   2.847  -3.207
   99    HB2  LEU  14           HB2      LEU  14  -7.834   4.381  -1.538
  100    HB3  LEU  14           HB1      LEU  14  -9.314   3.560  -1.978
  101    HG   LEU  14           HG       LEU  14  -8.700   2.049   0.100
  102   HD11  LEU  14          HD11      LEU  14  -7.578   3.237   1.844
  103   HD12  LEU  14          HD12      LEU  14  -7.445   4.682   0.842
  104   HD13  LEU  14          HD13      LEU  14  -6.531   3.234   0.424
  105   HD21  LEU  14          HD21      LEU  14  -9.850   4.827   0.343
  106   HD22  LEU  14          HD22      LEU  14 -10.110   3.491   1.464
  107   HD23  LEU  14          HD23      LEU  14 -10.732   3.393  -0.182
  108    H    ALA  15           HN       ALA  15  -7.296   0.440  -0.709
  109    HA   ALA  15           HA       ALA  15  -4.914   1.226   0.615
  110    HB1  ALA  15           HB1      ALA  15  -6.625  -0.236   1.627
  111    HB2  ALA  15           HB2      ALA  15  -5.002  -0.925   1.700
  112    HB3  ALA  15           HB3      ALA  15  -6.159  -1.516   0.506
  113    H    ALA  16           HN       ALA  16  -5.587  -0.832  -2.149
  114    HA   ALA  16           HA       ALA  16  -3.278  -2.282  -2.392
  115    HB1  ALA  16           HB1      ALA  16  -5.230  -2.485  -3.878
  116    HB2  ALA  16           HB2      ALA  16  -3.707  -2.409  -4.765
  117    HB3  ALA  16           HB3      ALA  16  -4.753  -0.992  -4.685
  118    HA   PRO  17           HA       PRO  17  -0.962   1.302  -4.647
  119    HB2  PRO  17           HB2      PRO  17  -2.013   3.806  -4.521
  120    HB3  PRO  17           HB1      PRO  17  -2.418   2.664  -5.818
  121    HG2  PRO  17           HG2      PRO  17  -3.961   3.348  -3.364
  122    HG3  PRO  17           HG1      PRO  17  -4.530   3.125  -5.031
  123    HD2  PRO  17           HD2      PRO  17  -4.778   1.201  -3.152
  124    HD3  PRO  17           HD1      PRO  17  -4.532   0.834  -4.869
  125    H    VAL  18           HN       VAL  18  -2.690   1.931  -1.672
  126    HA   VAL  18           HA       VAL  18  -0.845   3.791  -0.562
  127    HB   VAL  18           HB       VAL  18  -2.879   1.995   0.774
  128   HG11  VAL  18          HG11      VAL  18  -1.162   2.583   2.378
  129   HG12  VAL  18          HG12      VAL  18  -2.643   3.475   2.727
  130   HG13  VAL  18          HG13      VAL  18  -1.293   4.284   1.931
  131   HG21  VAL  18          HG21      VAL  18  -3.051   4.965   0.339
  132   HG22  VAL  18          HG22      VAL  18  -4.340   3.841   0.775
  133   HG23  VAL  18          HG23      VAL  18  -3.646   3.803  -0.846
  134    H    ILE  19           HN       ILE  19  -1.307   0.302  -0.185
  135    HA   ILE  19           HA       ILE  19   0.841  -0.077   1.635
  136    HB   ILE  19           HB       ILE  19  -0.482  -2.109  -0.168
  137   HG12  ILE  19          HG12      ILE  19  -1.143  -1.614   2.726
  138   HG13  ILE  19          HG11      ILE  19  -1.948  -0.716   1.443
  139   HG21  ILE  19          HG21      ILE  19   1.122  -2.435   2.364
  140   HG22  ILE  19          HG22      ILE  19   1.612  -2.916   0.739
  141   HG23  ILE  19          HG23      ILE  19   0.262  -3.730   1.531
  142   HD11  ILE  19          HD11      ILE  19  -1.930  -3.711   1.718
  143   HD12  ILE  19          HD12      ILE  19  -2.792  -2.773   0.497
  144   HD13  ILE  19          HD13      ILE  19  -3.249  -2.642   2.195
  145    H    ALA  20           HN       ALA  20   0.501  -0.354  -1.867
  146    HA   ALA  20           HA       ALA  20   3.053  -1.490  -2.352
  147    HB1  ALA  20           HB1      ALA  20   1.405   0.154  -4.266
  148    HB2  ALA  20           HB2      ALA  20   1.118  -1.553  -3.927
  149    HB3  ALA  20           HB3      ALA  20   2.638  -1.044  -4.665
  150    H    GLY  21           HN       GLY  21   1.886   1.817  -2.087
  151    HA2  GLY  21           HA2      GLY  21   4.209   3.073  -3.137
  152    HA3  GLY  21           HA1      GLY  21   2.984   3.838  -2.136
  153    H    ILE  22           HN       ILE  22   3.165   2.375   0.187
  154    HA   ILE  22           HA       ILE  22   5.443   3.538   1.417
  155    HB   ILE  22           HB       ILE  22   3.585   1.421   2.515
  156   HG12  ILE  22          HG12      ILE  22   3.493   4.427   2.858
  157   HG13  ILE  22          HG11      ILE  22   2.451   3.516   1.770
  158   HG21  ILE  22          HG21      ILE  22   5.658   1.552   3.768
  159   HG22  ILE  22          HG22      ILE  22   4.335   2.236   4.712
  160   HG23  ILE  22          HG23      ILE  22   5.488   3.302   3.908
  161   HD11  ILE  22          HD11      ILE  22   2.549   3.233   4.764
  162   HD12  ILE  22          HD12      ILE  22   1.499   2.329   3.673
  163   HD13  ILE  22          HD13      ILE  22   1.308   4.074   3.836
  164    H    LEU  23           HN       LEU  23   4.653   0.298   0.303
  165    HA   LEU  23           HA       LEU  23   6.839  -1.048   1.471
  166    HB2  LEU  23           HB2      LEU  23   4.940  -2.287   0.682
  167    HB3  LEU  23           HB1      LEU  23   5.151  -1.675  -0.947
  168    HG   LEU  23           HG       LEU  23   7.275  -2.933  -1.121
  169   HD11  LEU  23          HD11      LEU  23   7.876  -3.013   1.229
  170   HD12  LEU  23          HD12      LEU  23   7.784  -4.643   0.562
  171   HD13  LEU  23          HD13      LEU  23   6.476  -4.028   1.572
  172   HD21  LEU  23          HD21      LEU  23   6.263  -5.143  -1.314
  173   HD22  LEU  23          HD22      LEU  23   5.185  -3.896  -1.942
  174   HD23  LEU  23          HD23      LEU  23   4.884  -4.604  -0.355
  175    H    ALA  24           HN       ALA  24   6.430   0.632  -1.595
  176    HA   ALA  24           HA       ALA  24   8.812  -0.196  -2.831
  177    HB1  ALA  24           HB1      ALA  24   7.347   2.415  -3.191
  178    HB2  ALA  24           HB2      ALA  24   6.961   0.904  -4.015
  179    HB3  ALA  24           HB3      ALA  24   8.506   1.701  -4.312
  180    H    SER  25           HN       SER  25   8.113   2.594  -0.758
  181    HA   SER  25           HA       SER  25  10.630   3.817  -0.951
  182    HB2  SER  25           HB2      SER  25   8.622   3.893   1.314
  183    HB3  SER  25           HB1      SER  25   9.997   4.986   1.145
  184    HG   SER  25           HG       SER  25   7.857   5.691   0.299
  185    H    MET  26           HN       MET  26   9.411   1.294   1.193
  186    HA   MET  26           HA       MET  26  11.620   1.254   2.954
  187    HB2  MET  26           HB2      MET  26   9.618  -0.896   2.250
  188    HB3  MET  26           HB1      MET  26  10.803  -1.042   3.542
  189    HG2  MET  26           HG2      MET  26   9.801   1.058   4.522
  190    HG3  MET  26           HG1      MET  26   8.495   0.866   3.354
  191    HE1  MET  26           HE1      MET  26   6.794  -1.183   3.347
  192    HE2  MET  26           HE2      MET  26   6.958  -2.578   4.415
  193    HE3  MET  26           HE3      MET  26   8.177  -2.265   3.179
  194    H    ILE  27           HN       ILE  27  10.920  -0.514  -0.031
  195    HA   ILE  27           HA       ILE  27  13.175  -2.221   0.087
  196    HB   ILE  27           HB       ILE  27  11.639  -1.303  -2.349
  197   HG12  ILE  27          HG12      ILE  27  11.336  -3.827  -0.704
  198   HG13  ILE  27          HG11      ILE  27  10.266  -2.433  -0.598
  199   HG21  ILE  27          HG21      ILE  27  12.541  -3.304  -3.426
  200   HG22  ILE  27          HG22      ILE  27  13.476  -3.669  -1.977
  201   HG23  ILE  27          HG23      ILE  27  13.833  -2.219  -2.914
  202   HD11  ILE  27          HD11      ILE  27   9.648  -2.752  -2.948
  203   HD12  ILE  27          HD12      ILE  27   9.281  -4.167  -1.961
  204   HD13  ILE  27          HD13      ILE  27  10.693  -4.171  -3.017
  205    H    VAL  28           HN       VAL  28  12.626   0.929  -1.453
  206    HA   VAL  28           HA       VAL  28  15.151   1.070  -2.731
  207    HB   VAL  28           HB       VAL  28  13.330   3.330  -1.885
  208   HG11  VAL  28          HG11      VAL  28  15.608   4.099  -2.308
  209   HG12  VAL  28          HG12      VAL  28  14.512   4.649  -3.576
  210   HG13  VAL  28          HG13      VAL  28  15.598   3.292  -3.877
  211   HG21  VAL  28          HG21      VAL  28  12.474   3.266  -4.143
  212   HG22  VAL  28          HG22      VAL  28  12.286   1.677  -3.401
  213   HG23  VAL  28          HG23      VAL  28  13.584   1.961  -4.561
  214    H    ASN  29           HN       ASN  29  13.991   2.096   0.438
  215    HA   ASN  29           HA       ASN  29  16.273   3.574   1.189
  216    HB2  ASN  29           HB2      ASN  29  14.146   2.172   2.807
  217    HB3  ASN  29           HB1      ASN  29  15.436   3.113   3.549
  218   HD21  ASN  29          HD21      ASN  29  12.553   3.541   3.576
  219   HD22  ASN  29          HD22      ASN  29  12.298   5.122   2.927
  220    H    TRP  30           HN       TRP  30  15.426   0.168   1.489
  221    HA   TRP  30           HA       TRP  30  17.674  -0.564   3.067
  222    HB2  TRP  30           HB2      TRP  30  15.949  -2.108   3.209
  223    HB3  TRP  30           HB1      TRP  30  15.610  -2.047   1.484
  224    HD1  TRP  30           HD1      TRP  30  18.599  -3.245   3.675
  225    HE1  TRP  30           HE1      TRP  30  19.452  -5.463   2.684
  226    HE3  TRP  30           HE3      TRP  30  15.407  -3.635  -0.297
  227    HZ2  TRP  30           HZ2      TRP  30  18.847  -7.155   0.499
  228    HZ3  TRP  30           HZ3      TRP  30  15.609  -5.575  -1.791
  229    HH2  TRP  30           HH2      TRP  30  17.295  -7.301  -1.400
  230    H    LEU  31           HN       LEU  31  16.969  -0.813  -0.406
  231    HA   LEU  31           HA       LEU  31  19.377  -2.018  -1.167
  232    HB2  LEU  31           HB2      LEU  31  17.341  -0.368  -2.604
  233    HB3  LEU  31           HB1      LEU  31  18.826  -0.830  -3.416
  234    HG   LEU  31           HG       LEU  31  17.059  -2.881  -2.117
  235   HD11  LEU  31          HD11      LEU  31  15.682  -1.608  -3.686
  236   HD12  LEU  31          HD12      LEU  31  15.995  -3.240  -4.274
  237   HD13  LEU  31          HD13      LEU  31  16.880  -1.874  -4.951
  238   HD21  LEU  31          HD21      LEU  31  18.141  -4.368  -3.721
  239   HD22  LEU  31          HD22      LEU  31  19.330  -3.548  -2.710
  240   HD23  LEU  31          HD23      LEU  31  19.062  -3.010  -4.367
  241    H    ASN  32           HN       ASN  32  18.507   1.367  -0.735
  242    HA   ASN  32           HA       ASN  32  20.918   2.422  -1.815
  243    HB2  ASN  32           HB2      ASN  32  18.768   3.576  -0.047
  244    HB3  ASN  32           HB1      ASN  32  20.193   4.503  -0.500
  245   HD21  ASN  32          HD21      ASN  32  18.689   2.167  -2.617
  246   HD22  ASN  32          HD22      ASN  32  18.075   3.309  -3.757
  247    H    LYS  33           HN       LYS  33  20.177   0.835   1.069
  248    HA   LYS  33           HA       LYS  33  22.302   2.085   2.617
  249    HB2  LYS  33           HB2      LYS  33  20.141   1.484   3.684
  250    HB3  LYS  33           HB1      LYS  33  20.469  -0.209   3.347
  251    HG2  LYS  33           HG2      LYS  33  22.476   1.345   4.895
  252    HG3  LYS  33           HG1      LYS  33  20.984   0.847   5.693
  253    HD2  LYS  33           HD2      LYS  33  21.435  -1.480   5.080
  254    HD3  LYS  33           HD1      LYS  33  22.926  -0.981   4.279
  255    HE2  LYS  33           HE2      LYS  33  23.766  -0.127   6.429
  256    HE3  LYS  33           HE1      LYS  33  22.291  -0.691   7.213
  257    HZ1  LYS  33           HZ1      LYS  33  22.860  -2.951   6.575
  258    HZ2  LYS  33           HZ2      LYS  33  24.099  -2.262   7.499
  259    HZ3  LYS  33           HZ3      LYS  33  24.276  -2.409   5.824
  260    H    ARG  34           HN       ARG  34  21.572  -0.951   0.990
  261    HA   ARG  34           HA       ARG  34  24.035  -2.189   1.864
  262    HB2  ARG  34           HB2      ARG  34  23.326  -4.098   0.531
  263    HB3  ARG  34           HB1      ARG  34  22.001  -3.538   1.540
  264    HG2  ARG  34           HG2      ARG  34  20.934  -2.489  -0.336
  265    HG3  ARG  34           HG1      ARG  34  22.323  -2.832  -1.369
  266    HD2  ARG  34           HD2      ARG  34  20.447  -4.832  -0.116
  267    HD3  ARG  34           HD1      ARG  34  20.584  -4.432  -1.828
  268    HE   ARG  34           HE       ARG  34  23.077  -5.320  -0.869
  269   HH11  ARG  34          HH11      ARG  34  19.893  -6.518  -1.623
  270   HH12  ARG  34          HH12      ARG  34  20.444  -8.115  -2.007
  271   HH21  ARG  34          HH21      ARG  34  23.811  -7.421  -1.372
  272   HH22  ARG  34          HH22      ARG  34  22.670  -8.627  -1.865
  273    H    LYS  35           HN       LYS  35  24.151   0.303   0.309
  274    HA   LYS  35           HA       LYS  35  24.909  -0.168  -2.350
  275    HB2  LYS  35           HB2      LYS  35  26.125   2.044  -2.107
  276    HB3  LYS  35           HB1      LYS  35  24.407   2.060  -1.741
  277    HG2  LYS  35           HG2      LYS  35  24.995   1.875   0.677
  278    HG3  LYS  35           HG1      LYS  35  26.688   2.074   0.221
  279    HD2  LYS  35           HD2      LYS  35  26.082   4.234  -0.855
  280    HD3  LYS  35           HD1      LYS  35  24.444   4.039  -0.227
  281    HE2  LYS  35           HE2      LYS  35  25.721   5.495   1.228
  282    HE3  LYS  35           HE1      LYS  35  25.344   3.986   2.059
  283    HZ1  LYS  35           HZ1      LYS  35  27.939   4.649   0.773
  284    HZ2  LYS  35           HZ2      LYS  35  27.579   3.203   1.573
  285    HZ3  LYS  35           HZ3      LYS  35  27.631   4.656   2.437
  Start of MODEL   11
    1    H1   MET   1           HT1      MET   1 -25.843  -0.252  -5.908
    2    H2   MET   1           HT2      MET   1 -24.974   0.855  -4.969
    3    H3   MET   1           HT3      MET   1 -26.652   0.734  -4.796
    4    HA   MET   1           HA       MET   1 -26.469  -1.474  -3.917
    5    HB2  MET   1           HB2      MET   1 -24.252  -2.434  -3.454
    6    HB3  MET   1           HB1      MET   1 -24.506  -2.183  -5.176
    7    HG2  MET   1           HG2      MET   1 -23.135  -0.203  -5.133
    8    HG3  MET   1           HG1      MET   1 -22.959  -0.326  -3.384
    9    HE1  MET   1           HE1      MET   1 -22.910  -3.220  -6.047
   10    HE2  MET   1           HE2      MET   1 -21.183  -3.361  -6.372
   11    HE3  MET   1           HE3      MET   1 -22.055  -1.909  -6.860
   12    H    THR   2           HN       THR   2 -24.897  -1.953  -1.767
   13    HA   THR   2           HA       THR   2 -25.686   0.188   0.001
   14    HB   THR   2           HB       THR   2 -24.115  -1.805   1.338
   15    HG1  THR   2           HG1      THR   2 -25.570  -3.591   0.766
   16   HG21  THR   2          HG21      THR   2 -26.212  -2.198   2.530
   17   HG22  THR   2          HG22      THR   2 -27.088  -1.276   1.307
   18   HG23  THR   2          HG23      THR   2 -25.909  -0.471   2.344
   19    H    PHE   3           HN       PHE   3 -24.377   1.511   1.191
   20    HA   PHE   3           HA       PHE   3 -21.861   2.202   0.129
   21    HB2  PHE   3           HB2      PHE   3 -23.551   3.592   1.568
   22    HB3  PHE   3           HB1      PHE   3 -22.654   2.927   2.930
   23    HD1  PHE   3           HD1      PHE   3 -20.890   4.154   3.737
   24    HD2  PHE   3           HD2      PHE   3 -22.005   4.566  -0.345
   25    HE1  PHE   3           HE1      PHE   3 -19.174   5.894   3.451
   26    HE2  PHE   3           HE2      PHE   3 -20.292   6.307  -0.644
   27    HZ   PHE   3           HZ       PHE   3 -18.872   6.974   1.257
   28    H    ALA   4           HN       ALA   4 -22.844   0.179   2.826
   29    HA   ALA   4           HA       ALA   4 -20.251  -0.166   3.935
   30    HB1  ALA   4           HB1      ALA   4 -21.253  -2.034   5.171
   31    HB2  ALA   4           HB2      ALA   4 -22.701  -1.914   4.170
   32    HB3  ALA   4           HB3      ALA   4 -22.259  -0.587   5.245
   33    H    GLU   5           HN       GLU   5 -22.200  -2.006   1.623
   34    HA   GLU   5           HA       GLU   5 -20.426  -4.172   1.318
   35    HB2  GLU   5           HB2      GLU   5 -22.520  -3.014  -0.521
   36    HB3  GLU   5           HB1      GLU   5 -21.613  -4.471  -0.904
   37    HG2  GLU   5           HG2      GLU   5 -23.411  -4.081   1.478
   38    HG3  GLU   5           HG1      GLU   5 -23.794  -5.001   0.023
   39    H    LEU   6           HN       LEU   6 -20.467  -0.956   0.042
   40    HA   LEU   6           HA       LEU   6 -18.370  -1.563  -1.902
   41    HB2  LEU   6           HB2      LEU   6 -20.387  -0.065  -2.392
   42    HB3  LEU   6           HB1      LEU   6 -19.614   1.124  -1.359
   43    HG   LEU   6           HG       LEU   6 -17.923   0.049  -3.527
   44   HD11  LEU   6          HD11      LEU   6 -20.266   1.857  -4.104
   45   HD12  LEU   6          HD12      LEU   6 -20.052   0.209  -4.694
   46   HD13  LEU   6          HD13      LEU   6 -18.953   1.484  -5.221
   47   HD21  LEU   6          HD21      LEU   6 -17.408   2.498  -3.716
   48   HD22  LEU   6          HD22      LEU   6 -17.050   1.782  -2.145
   49   HD23  LEU   6          HD23      LEU   6 -18.499   2.764  -2.356
   50    H    GLY   7           HN       GLY   7 -18.734  -0.537   1.292
   51    HA2  GLY   7           HA2      GLY   7 -16.585   1.297   1.513
   52    HA3  GLY   7           HA1      GLY   7 -17.311   0.398   2.835
   53    H    MET   8           HN       MET   8 -16.764  -2.204   2.100
   54    HA   MET   8           HA       MET   8 -14.053  -2.434   2.913
   55    HB2  MET   8           HB2      MET   8 -15.981  -4.519   1.874
   56    HB3  MET   8           HB1      MET   8 -14.413  -4.877   2.585
   57    HG2  MET   8           HG2      MET   8 -16.639  -3.443   4.011
   58    HG3  MET   8           HG1      MET   8 -16.321  -5.171   4.136
   59    HE1  MET   8           HE1      MET   8 -16.541  -3.494   6.712
   60    HE2  MET   8           HE2      MET   8 -15.107  -3.970   7.622
   61    HE3  MET   8           HE3      MET   8 -16.036  -5.184   6.744
   62    H    ALA   9           HN       ALA   9 -15.707  -3.035  -0.173
   63    HA   ALA   9           HA       ALA   9 -13.454  -3.979  -1.570
   64    HB1  ALA   9           HB1      ALA   9 -15.735  -4.305  -2.375
   65    HB2  ALA   9           HB2      ALA   9 -14.737  -3.516  -3.597
   66    HB3  ALA   9           HB3      ALA   9 -15.891  -2.571  -2.656
   67    H    PHE  10           HN       PHE  10 -14.809  -0.728  -1.217
   68    HA   PHE  10           HA       PHE  10 -12.951   0.538  -2.948
   69    HB2  PHE  10           HB2      PHE  10 -14.977   1.687  -2.586
   70    HB3  PHE  10           HB1      PHE  10 -14.852   1.537  -0.839
   71    HD1  PHE  10           HD1      PHE  10 -12.531   2.845  -3.465
   72    HD2  PHE  10           HD2      PHE  10 -14.698   3.592   0.121
   73    HE1  PHE  10           HE1      PHE  10 -11.539   5.092  -3.339
   74    HE2  PHE  10           HE2      PHE  10 -13.706   5.839   0.258
   75    HZ   PHE  10           HZ       PHE  10 -12.125   6.593  -1.476
   76    H    TRP  11           HN       TRP  11 -13.078   0.142   0.585
   77    HA   TRP  11           HA       TRP  11 -10.782   1.676   1.141
   78    HB2  TRP  11           HB2      TRP  11 -12.447  -0.264   2.625
   79    HB3  TRP  11           HB1      TRP  11 -10.797  -0.066   3.206
   80    HD1  TRP  11           HD1      TRP  11 -14.135   1.382   3.628
   81    HE1  TRP  11           HE1      TRP  11 -14.005   3.671   4.799
   82    HE3  TRP  11           HE3      TRP  11  -9.121   2.259   3.141
   83    HZ2  TRP  11           HZ2      TRP  11 -12.037   5.593   5.433
   84    HZ3  TRP  11           HZ3      TRP  11  -8.195   4.347   4.058
   85    HH2  TRP  11           HH2      TRP  11  -9.625   5.979   5.179
   86    H    HIS  12           HN       HIS  12 -11.214  -1.765   0.494
   87    HA   HIS  12           HA       HIS  12  -8.515  -2.488   0.962
   88    HB2  HIS  12           HB2      HIS  12 -10.757  -3.821  -0.553
   89    HB3  HIS  12           HB1      HIS  12  -9.156  -4.542  -0.408
   90    HD1  HIS  12           HD1      HIS  12 -10.707  -2.737   2.502
   91    HD2  HIS  12           HD2      HIS  12 -10.070  -6.621   1.171
   92    HE1  HIS  12           HE1      HIS  12 -11.244  -4.254   4.454
   93    H    ASP  13           HN       ASP  13 -10.307  -1.535  -1.927
   94    HA   ASP  13           HA       ASP  13  -8.243  -2.059  -3.779
   95    HB2  ASP  13           HB2      ASP  13 -10.554  -1.799  -4.500
   96    HB3  ASP  13           HB1      ASP  13 -10.561  -0.126  -3.952
   97    H    LEU  14           HN       LEU  14  -9.151   0.873  -1.993
   98    HA   LEU  14           HA       LEU  14  -7.148   2.482  -3.238
   99    HB2  LEU  14           HB2      LEU  14  -7.835   4.229  -1.862
  100    HB3  LEU  14           HB1      LEU  14  -9.290   3.311  -2.175
  101    HG   LEU  14           HG       LEU  14  -8.641   2.171   0.132
  102   HD11  LEU  14          HD11      LEU  14  -6.538   3.545   0.243
  103   HD12  LEU  14          HD12      LEU  14  -7.584   3.649   1.660
  104   HD13  LEU  14          HD13      LEU  14  -7.564   4.959   0.479
  105   HD21  LEU  14          HD21      LEU  14 -10.139   3.754   1.226
  106   HD22  LEU  14          HD22      LEU  14 -10.733   3.335  -0.380
  107   HD23  LEU  14          HD23      LEU  14  -9.936   4.885  -0.111
  108    H    ALA  15           HN       ALA  15  -7.287   0.490  -0.379
  109    HA   ALA  15           HA       ALA  15  -4.938   1.512   0.848
  110    HB1  ALA  15           HB1      ALA  15  -6.210  -1.192   1.236
  111    HB2  ALA  15           HB2      ALA  15  -6.682   0.284   2.079
  112    HB3  ALA  15           HB3      ALA  15  -5.071  -0.394   2.321
  113    H    ALA  16           HN       ALA  16  -5.535  -1.049  -1.491
  114    HA   ALA  16           HA       ALA  16  -3.217  -2.504  -1.358
  115    HB1  ALA  16           HB1      ALA  16  -5.138  -2.987  -2.847
  116    HB2  ALA  16           HB2      ALA  16  -3.571  -3.142  -3.641
  117    HB3  ALA  16           HB3      ALA  16  -4.570  -1.720  -3.933
  118    HA   PRO  17           HA       PRO  17  -0.848   0.583  -4.208
  119    HB2  PRO  17           HB2      PRO  17  -1.918   3.042  -4.641
  120    HB3  PRO  17           HB1      PRO  17  -2.277   1.648  -5.679
  121    HG2  PRO  17           HG2      PRO  17  -3.906   2.827  -3.481
  122    HG3  PRO  17           HG1      PRO  17  -4.416   2.226  -5.072
  123    HD2  PRO  17           HD2      PRO  17  -4.691   0.775  -2.801
  124    HD3  PRO  17           HD1      PRO  17  -4.435   0.041  -4.394
  125    H    VAL  18           HN       VAL  18  -2.669   1.790  -1.473
  126    HA   VAL  18           HA       VAL  18  -0.871   3.868  -0.732
  127    HB   VAL  18           HB       VAL  18  -2.936   2.357   0.877
  128   HG11  VAL  18          HG11      VAL  18  -1.230   3.213   2.384
  129   HG12  VAL  18          HG12      VAL  18  -2.725   4.132   2.554
  130   HG13  VAL  18          HG13      VAL  18  -1.368   4.814   1.657
  131   HG21  VAL  18          HG21      VAL  18  -4.364   4.197   0.519
  132   HG22  VAL  18          HG22      VAL  18  -3.641   3.855  -1.053
  133   HG23  VAL  18          HG23      VAL  18  -3.048   5.203  -0.084
  134    H    ILE  19           HN       ILE  19  -1.338   0.547   0.414
  135    HA   ILE  19           HA       ILE  19   0.810   0.601   2.269
  136    HB   ILE  19           HB       ILE  19  -0.486  -1.807   0.983
  137   HG12  ILE  19          HG12      ILE  19  -1.194  -0.665   3.674
  138   HG13  ILE  19          HG11      ILE  19  -1.974  -0.071   2.212
  139   HG21  ILE  19          HG21      ILE  19   1.614  -2.328   2.090
  140   HG22  ILE  19          HG22      ILE  19   0.257  -2.979   3.008
  141   HG23  ILE  19          HG23      ILE  19   1.066  -1.509   3.553
  142   HD11  ILE  19          HD11      ILE  19  -1.971  -2.933   3.138
  143   HD12  ILE  19          HD12      ILE  19  -2.812  -2.286   1.729
  144   HD13  ILE  19          HD13      ILE  19  -3.293  -1.785   3.350
  145    H    ALA  20           HN       ALA  20   0.458  -0.522  -1.065
  146    HA   ALA  20           HA       ALA  20   2.989  -1.720  -1.326
  147    HB1  ALA  20           HB1      ALA  20   2.624  -1.584  -3.723
  148    HB2  ALA  20           HB2      ALA  20   1.321  -0.421  -3.481
  149    HB3  ALA  20           HB3      ALA  20   1.140  -2.080  -2.909
  150    H    GLY  21           HN       GLY  21   1.881   1.601  -1.751
  151    HA2  GLY  21           HA2      GLY  21   4.211   2.642  -2.942
  152    HA3  GLY  21           HA1      GLY  21   3.038   3.569  -2.015
  153    H    ILE  22           HN       ILE  22   3.255   2.348   0.454
  154    HA   ILE  22           HA       ILE  22   5.552   3.612   1.523
  155    HB   ILE  22           HB       ILE  22   3.767   1.560   2.845
  156   HG12  ILE  22          HG12      ILE  22   3.575   4.571   3.007
  157   HG13  ILE  22          HG11      ILE  22   2.619   3.608   1.886
  158   HG21  ILE  22          HG21      ILE  22   4.520   2.636   4.939
  159   HG22  ILE  22          HG22      ILE  22   5.649   3.613   4.001
  160   HG23  ILE  22          HG23      ILE  22   5.835   1.860   4.056
  161   HD11  ILE  22          HD11      ILE  22   1.568   2.455   3.740
  162   HD12  ILE  22          HD12      ILE  22   1.373   4.201   3.901
  163   HD13  ILE  22          HD13      ILE  22   2.567   3.352   4.883
  164    H    LEU  23           HN       LEU  23   4.768   0.297   0.672
  165    HA   LEU  23           HA       LEU  23   7.015  -0.943   1.846
  166    HB2  LEU  23           HB2      LEU  23   5.127  -2.274   1.207
  167    HB3  LEU  23           HB1      LEU  23   5.239  -1.738  -0.457
  168    HG   LEU  23           HG       LEU  23   7.391  -2.950  -0.676
  169   HD11  LEU  23          HD11      LEU  23   8.084  -2.918   1.656
  170   HD12  LEU  23          HD12      LEU  23   8.025  -4.570   1.042
  171   HD13  LEU  23          HD13      LEU  23   6.735  -3.970   2.085
  172   HD21  LEU  23          HD21      LEU  23   5.319  -4.001  -1.385
  173   HD22  LEU  23          HD22      LEU  23   5.050  -4.611   0.248
  174   HD23  LEU  23          HD23      LEU  23   6.417  -5.199  -0.699
  175    H    ALA  24           HN       ALA  24   6.477   0.639  -1.235
  176    HA   ALA  24           HA       ALA  24   8.804  -0.236  -2.559
  177    HB1  ALA  24           HB1      ALA  24   7.307   2.354  -2.945
  178    HB2  ALA  24           HB2      ALA  24   6.899   0.815  -3.704
  179    HB3  ALA  24           HB3      ALA  24   8.426   1.610  -4.087
  180    H    SER  25           HN       SER  25   8.169   2.570  -0.494
  181    HA   SER  25           HA       SER  25  10.687   3.797  -0.846
  182    HB2  SER  25           HB2      SER  25  10.127   5.132   1.111
  183    HB3  SER  25           HB1      SER  25   8.705   4.967   0.081
  184    HG   SER  25           HG       SER  25   9.073   4.175   2.642
  185    H    MET  26           HN       MET  26   9.528   1.310   1.346
  186    HA   MET  26           HA       MET  26  11.777   1.330   3.073
  187    HB2  MET  26           HB2      MET  26   9.762  -0.842   2.477
  188    HB3  MET  26           HB1      MET  26  10.978  -0.948   3.742
  189    HG2  MET  26           HG2      MET  26   9.986   1.191   4.672
  190    HG3  MET  26           HG1      MET  26   8.644   0.927   3.561
  191    HE1  MET  26           HE1      MET  26   8.415  -2.230   3.539
  192    HE2  MET  26           HE2      MET  26   7.003  -1.183   3.692
  193    HE3  MET  26           HE3      MET  26   7.238  -2.517   4.822
  194    H    ILE  27           HN       ILE  27  10.979  -0.490   0.148
  195    HA   ILE  27           HA       ILE  27  13.233  -2.195   0.207
  196    HB   ILE  27           HB       ILE  27  11.595  -1.277  -2.164
  197   HG12  ILE  27          HG12      ILE  27  11.461  -3.832  -0.543
  198   HG13  ILE  27          HG11      ILE  27  10.331  -2.490  -0.402
  199   HG21  ILE  27          HG21      ILE  27  13.758  -2.085  -2.895
  200   HG22  ILE  27          HG22      ILE  27  12.512  -3.265  -3.298
  201   HG23  ILE  27          HG23      ILE  27  13.573  -3.541  -1.917
  202   HD11  ILE  27          HD11      ILE  27   9.384  -4.266  -1.736
  203   HD12  ILE  27          HD12      ILE  27  10.761  -4.206  -2.836
  204   HD13  ILE  27          HD13      ILE  27   9.655  -2.837  -2.733
  205    H    VAL  28           HN       VAL  28  12.642   0.949  -1.323
  206    HA   VAL  28           HA       VAL  28  15.118   1.125  -2.664
  207    HB   VAL  28           HB       VAL  28  13.306   3.337  -1.681
  208   HG11  VAL  28          HG11      VAL  28  14.477   4.734  -3.364
  209   HG12  VAL  28          HG12      VAL  28  15.637   3.426  -3.593
  210   HG13  VAL  28          HG13      VAL  28  15.515   4.233  -2.030
  211   HG21  VAL  28          HG21      VAL  28  13.596   2.121  -4.427
  212   HG22  VAL  28          HG22      VAL  28  12.474   3.397  -3.953
  213   HG23  VAL  28          HG23      VAL  28  12.288   1.772  -3.296
  214    H    ASN  29           HN       ASN  29  14.062   2.221   0.537
  215    HA   ASN  29           HA       ASN  29  16.416   3.560   1.268
  216    HB2  ASN  29           HB2      ASN  29  14.324   2.165   2.947
  217    HB3  ASN  29           HB1      ASN  29  15.632   3.126   3.630
  218   HD21  ASN  29          HD21      ASN  29  15.588   5.059   1.456
  219   HD22  ASN  29          HD22      ASN  29  14.184   6.033   1.707
  220    H    TRP  30           HN       TRP  30  15.512   0.180   1.370
  221    HA   TRP  30           HA       TRP  30  17.691  -0.709   2.962
  222    HB2  TRP  30           HB2      TRP  30  15.909  -2.208   2.916
  223    HB3  TRP  30           HB1      TRP  30  15.673  -2.032   1.182
  224    HD1  TRP  30           HD1      TRP  30  18.551  -3.405   3.424
  225    HE1  TRP  30           HE1      TRP  30  19.395  -5.588   2.352
  226    HE3  TRP  30           HE3      TRP  30  15.467  -3.551  -0.647
  227    HZ2  TRP  30           HZ2      TRP  30  18.824  -7.164   0.078
  228    HZ3  TRP  30           HZ3      TRP  30  15.678  -5.428  -2.222
  229    HH2  TRP  30           HH2      TRP  30  17.322  -7.197  -1.866
  230    H    LEU  31           HN       LEU  31  17.101  -0.750  -0.548
  231    HA   LEU  31           HA       LEU  31  19.587  -1.861  -1.256
  232    HB2  LEU  31           HB2      LEU  31  17.531  -0.266  -2.734
  233    HB3  LEU  31           HB1      LEU  31  19.054  -0.676  -3.499
  234    HG   LEU  31           HG       LEU  31  17.168  -2.725  -2.343
  235   HD11  LEU  31          HD11      LEU  31  16.069  -1.553  -4.158
  236   HD12  LEU  31          HD12      LEU  31  16.529  -3.179  -4.665
  237   HD13  LEU  31          HD13      LEU  31  17.481  -1.789  -5.188
  238   HD21  LEU  31          HD21      LEU  31  19.525  -2.968  -4.209
  239   HD22  LEU  31          HD22      LEU  31  18.486  -4.290  -3.676
  240   HD23  LEU  31          HD23      LEU  31  19.499  -3.439  -2.510
  241    H    ASN  32           HN       ASN  32  18.610   1.389  -0.495
  242    HA   ASN  32           HA       ASN  32  20.878   2.685  -1.650
  243    HB2  ASN  32           HB2      ASN  32  18.710   3.545   0.242
  244    HB3  ASN  32           HB1      ASN  32  20.077   4.599  -0.105
  245   HD21  ASN  32          HD21      ASN  32  18.787   2.408  -2.483
  246   HD22  ASN  32          HD22      ASN  32  18.085   3.613  -3.501
  247    H    LYS  33           HN       LYS  33  20.441   0.893   1.219
  248    HA   LYS  33           HA       LYS  33  22.732   2.213   2.496
  249    HB2  LYS  33           HB2      LYS  33  22.027   1.369   4.553
  250    HB3  LYS  33           HB1      LYS  33  20.520   1.757   3.740
  251    HG2  LYS  33           HG2      LYS  33  19.887  -0.295   4.335
  252    HG3  LYS  33           HG1      LYS  33  20.908  -0.845   3.005
  253    HD2  LYS  33           HD2      LYS  33  22.795  -1.069   4.566
  254    HD3  LYS  33           HD1      LYS  33  21.746  -0.558   5.890
  255    HE2  LYS  33           HE2      LYS  33  20.289  -2.500   5.443
  256    HE3  LYS  33           HE1      LYS  33  21.408  -3.023   4.185
  257    HZ1  LYS  33           HZ1      LYS  33  21.842  -4.208   6.217
  258    HZ2  LYS  33           HZ2      LYS  33  22.018  -2.765   7.080
  259    HZ3  LYS  33           HZ3      LYS  33  23.146  -3.180   5.889
  260    H    ARG  34           HN       ARG  34  21.813  -0.639   0.821
  261    HA   ARG  34           HA       ARG  34  24.212  -2.058   1.730
  262    HB2  ARG  34           HB2      ARG  34  23.261  -4.049   0.819
  263    HB3  ARG  34           HB1      ARG  34  21.993  -3.235   1.723
  264    HG2  ARG  34           HG2      ARG  34  20.854  -2.601  -0.203
  265    HG3  ARG  34           HG1      ARG  34  22.268  -2.841  -1.233
  266    HD2  ARG  34           HD2      ARG  34  20.623  -4.975   0.122
  267    HD3  ARG  34           HD1      ARG  34  20.697  -4.632  -1.607
  268    HE   ARG  34           HE       ARG  34  23.262  -5.243  -0.512
  269   HH11  ARG  34          HH11      ARG  34  20.304  -6.663  -1.687
  270   HH12  ARG  34          HH12      ARG  34  21.050  -8.163  -2.126
  271   HH21  ARG  34          HH21      ARG  34  24.249  -7.212  -1.085
  272   HH22  ARG  34          HH22      ARG  34  23.293  -8.476  -1.783
  273    H    LYS  35           HN       LYS  35  23.798   0.236  -0.350
  274    HA   LYS  35           HA       LYS  35  24.465  -0.687  -2.890
  275    HB2  LYS  35           HB2      LYS  35  25.556   1.647  -3.106
  276    HB3  LYS  35           HB1      LYS  35  23.827   1.549  -2.808
  277    HG2  LYS  35           HG2      LYS  35  24.222   1.966  -0.425
  278    HG3  LYS  35           HG1      LYS  35  25.952   2.093  -0.743
  279    HD2  LYS  35           HD2      LYS  35  23.862   3.849  -2.023
  280    HD3  LYS  35           HD1      LYS  35  24.770   4.287  -0.575
  281    HE2  LYS  35           HE2      LYS  35  26.866   4.050  -1.857
  282    HE3  LYS  35           HE1      LYS  35  25.919   3.694  -3.301
  283    HZ1  LYS  35           HZ1      LYS  35  25.805   6.223  -1.746
  284    HZ2  LYS  35           HZ2      LYS  35  24.917   5.884  -3.145
  285    HZ3  LYS  35           HZ3      LYS  35  26.602   6.013  -3.224
  Start of MODEL   12
    1    H1   MET   1           HT1      MET   1 -27.122  -0.697   5.196
    2    H2   MET   1           HT2      MET   1 -26.762  -1.974   4.146
    3    H3   MET   1           HT3      MET   1 -27.840  -0.762   3.664
    4    HA   MET   1           HA       MET   1 -26.082   0.876   3.714
    5    HB2  MET   1           HB2      MET   1 -24.735  -0.198   5.468
    6    HB3  MET   1           HB1      MET   1 -24.332  -1.505   4.364
    7    HG2  MET   1           HG2      MET   1 -22.505   0.080   4.569
    8    HG3  MET   1           HG1      MET   1 -23.142   0.046   2.926
    9    HE1  MET   1           HE1      MET   1 -23.003   2.055   6.313
   10    HE2  MET   1           HE2      MET   1 -24.726   1.760   6.080
   11    HE3  MET   1           HE3      MET   1 -24.088   3.399   5.955
   12    H    THR   2           HN       THR   2 -24.880   1.306   1.823
   13    HA   THR   2           HA       THR   2 -25.584  -0.436  -0.393
   14    HB   THR   2           HB       THR   2 -24.086   1.680  -1.418
   15    HG1  THR   2           HG1      THR   2 -25.837   3.147   0.013
   16   HG21  THR   2          HG21      THR   2 -26.152   0.757  -2.361
   17   HG22  THR   2          HG22      THR   2 -26.247   2.511  -2.211
   18   HG23  THR   2          HG23      THR   2 -27.078   1.480  -1.046
   19    H    PHE   3           HN       PHE   3 -24.237  -1.733  -1.458
   20    HA   PHE   3           HA       PHE   3 -21.682  -2.339  -0.444
   21    HB2  PHE   3           HB2      PHE   3 -23.337  -3.763  -1.896
   22    HB3  PHE   3           HB1      PHE   3 -22.468  -3.045  -3.249
   23    HD1  PHE   3           HD1      PHE   3 -20.758  -4.298  -4.116
   24    HD2  PHE   3           HD2      PHE   3 -21.657  -4.623   0.029
   25    HE1  PHE   3           HE1      PHE   3 -18.985  -5.987  -3.869
   26    HE2  PHE   3           HE2      PHE   3 -19.886  -6.313   0.285
   27    HZ   PHE   3           HZ       PHE   3 -18.548  -6.997  -1.666
   28    H    ALA   4           HN       ALA   4 -22.776  -0.257  -3.048
   29    HA   ALA   4           HA       ALA   4 -20.224   0.173  -4.222
   30    HB1  ALA   4           HB1      ALA   4 -22.685   1.916  -4.324
   31    HB2  ALA   4           HB2      ALA   4 -22.300   0.604  -5.439
   32    HB3  ALA   4           HB3      ALA   4 -21.279   2.041  -5.383
   33    H    GLU   5           HN       GLU   5 -22.124   1.927  -1.800
   34    HA   GLU   5           HA       GLU   5 -20.318   4.080  -1.501
   35    HB2  GLU   5           HB2      GLU   5 -22.399   2.957   0.378
   36    HB3  GLU   5           HB1      GLU   5 -21.497   4.433   0.692
   37    HG2  GLU   5           HG2      GLU   5 -23.313   3.960  -1.661
   38    HG3  GLU   5           HG1      GLU   5 -23.718   4.884  -0.215
   39    H    LEU   6           HN       LEU   6 -20.468   0.870  -0.172
   40    HA   LEU   6           HA       LEU   6 -18.359   1.418   1.763
   41    HB2  LEU   6           HB2      LEU   6 -20.327  -0.079   2.265
   42    HB3  LEU   6           HB1      LEU   6 -19.675  -1.217   1.101
   43    HG   LEU   6           HG       LEU   6 -17.807  -0.389   3.232
   44   HD11  LEU   6          HD11      LEU   6 -18.810  -1.893   4.881
   45   HD12  LEU   6          HD12      LEU   6 -20.200  -2.128   3.821
   46   HD13  LEU   6          HD13      LEU   6 -19.876  -0.537   4.510
   47   HD21  LEU   6          HD21      LEU   6 -17.265  -2.771   3.170
   48   HD22  LEU   6          HD22      LEU   6 -17.236  -2.072   1.552
   49   HD23  LEU   6          HD23      LEU   6 -18.608  -3.054   2.063
   50    H    GLY   7           HN       GLY   7 -18.690   0.480  -1.460
   51    HA2  GLY   7           HA2      GLY   7 -16.529  -1.333  -1.718
   52    HA3  GLY   7           HA1      GLY   7 -17.242  -0.392  -3.017
   53    H    MET   8           HN       MET   8 -16.717   2.173  -2.296
   54    HA   MET   8           HA       MET   8 -13.976   2.417  -2.999
   55    HB2  MET   8           HB2      MET   8 -15.955   4.503  -2.061
   56    HB3  MET   8           HB1      MET   8 -14.377   4.853  -2.755
   57    HG2  MET   8           HG2      MET   8 -16.561   3.356  -4.179
   58    HG3  MET   8           HG1      MET   8 -16.266   5.086  -4.344
   59    HE1  MET   8           HE1      MET   8 -15.015   3.563  -7.756
   60    HE2  MET   8           HE2      MET   8 -16.062   4.773  -7.015
   61    HE3  MET   8           HE3      MET   8 -16.396   3.057  -6.782
   62    H    ALA   9           HN       ALA   9 -15.772   2.952   0.008
   63    HA   ALA   9           HA       ALA   9 -13.616   3.985   1.503
   64    HB1  ALA   9           HB1      ALA   9 -16.030   2.483   2.511
   65    HB2  ALA   9           HB2      ALA   9 -15.971   4.213   2.173
   66    HB3  ALA   9           HB3      ALA   9 -14.976   3.531   3.460
   67    H    PHE  10           HN       PHE  10 -14.878   0.690   1.148
   68    HA   PHE  10           HA       PHE  10 -13.026  -0.499   2.940
   69    HB2  PHE  10           HB2      PHE  10 -15.010  -1.712   2.569
   70    HB3  PHE  10           HB1      PHE  10 -14.867  -1.584   0.822
   71    HD1  PHE  10           HD1      PHE  10 -12.530  -2.780   3.484
   72    HD2  PHE  10           HD2      PHE  10 -14.663  -3.657  -0.092
   73    HE1  PHE  10           HE1      PHE  10 -11.471  -4.999   3.404
   74    HE2  PHE  10           HE2      PHE  10 -13.605  -5.877  -0.184
   75    HZ   PHE  10           HZ       PHE  10 -12.007  -6.552   1.568
   76    H    TRP  11           HN       TRP  11 -13.087  -0.163  -0.603
   77    HA   TRP  11           HA       TRP  11 -10.751  -1.660  -1.081
   78    HB2  TRP  11           HB2      TRP  11 -12.414   0.226  -2.633
   79    HB3  TRP  11           HB1      TRP  11 -10.747   0.050  -3.172
   80    HD1  TRP  11           HD1      TRP  11 -14.049  -1.484  -3.627
   81    HE1  TRP  11           HE1      TRP  11 -13.843  -3.787  -4.756
   82    HE3  TRP  11           HE3      TRP  11  -9.023  -2.225  -3.047
   83    HZ2  TRP  11           HZ2      TRP  11 -11.817  -5.669  -5.329
   84    HZ3  TRP  11           HZ3      TRP  11  -8.029  -4.302  -3.917
   85    HH2  TRP  11           HH2      TRP  11  -9.399  -5.989  -5.031
   86    H    HIS  12           HN       HIS  12 -11.249   1.792  -0.503
   87    HA   HIS  12           HA       HIS  12  -8.543   2.535  -0.911
   88    HB2  HIS  12           HB2      HIS  12 -10.855   3.868   0.487
   89    HB3  HIS  12           HB1      HIS  12  -9.252   4.596   0.443
   90    HD1  HIS  12           HD1      HIS  12 -10.806   2.812  -2.512
   91    HD2  HIS  12           HD2      HIS  12  -9.870   6.654  -1.238
   92    HE1  HIS  12           HE1      HIS  12 -11.178   4.330  -4.501
   93    H    ASP  13           HN       ASP  13 -10.402   1.619   1.946
   94    HA   ASP  13           HA       ASP  13  -8.410   2.203   3.854
   95    HB2  ASP  13           HB2      ASP  13 -10.779   1.869   4.444
   96    HB3  ASP  13           HB1      ASP  13 -10.646   0.169   4.004
   97    H    LEU  14           HN       LEU  14  -9.212  -0.771   2.087
   98    HA   LEU  14           HA       LEU  14  -7.186  -2.313   3.384
   99    HB2  LEU  14           HB2      LEU  14  -7.808  -4.095   2.019
  100    HB3  LEU  14           HB1      LEU  14  -9.291  -3.210   2.283
  101    HG   LEU  14           HG       LEU  14  -8.652  -2.090  -0.020
  102   HD11  LEU  14          HD11      LEU  14  -6.484  -3.203  -0.196
  103   HD12  LEU  14          HD12      LEU  14  -7.556  -3.670  -1.516
  104   HD13  LEU  14          HD13      LEU  14  -7.285  -4.772  -0.165
  105   HD21  LEU  14          HD21      LEU  14  -9.972  -3.850  -1.145
  106   HD22  LEU  14          HD22      LEU  14 -10.690  -3.325   0.376
  107   HD23  LEU  14          HD23      LEU  14  -9.815  -4.854   0.295
  108    H    ALA  15           HN       ALA  15  -7.339  -0.303   0.561
  109    HA   ALA  15           HA       ALA  15  -4.959  -1.244  -0.672
  110    HB1  ALA  15           HB1      ALA  15  -5.125   0.694  -2.095
  111    HB2  ALA  15           HB2      ALA  15  -6.285   1.443  -0.997
  112    HB3  ALA  15           HB3      ALA  15  -6.724  -0.019  -1.881
  113    H    ALA  16           HN       ALA  16  -5.637   1.233   1.728
  114    HA   ALA  16           HA       ALA  16  -3.354   2.750   1.658
  115    HB1  ALA  16           HB1      ALA  16  -3.715   3.198   4.046
  116    HB2  ALA  16           HB2      ALA  16  -4.864   1.861   4.111
  117    HB3  ALA  16           HB3      ALA  16  -5.212   3.273   3.115
  118    HA   PRO  17           HA       PRO  17  -0.940  -0.339   4.465
  119    HB2  PRO  17           HB2      PRO  17  -1.945  -2.833   4.832
  120    HB3  PRO  17           HB1      PRO  17  -2.367  -1.473   5.891
  121    HG2  PRO  17           HG2      PRO  17  -3.912  -2.640   3.626
  122    HG3  PRO  17           HG1      PRO  17  -4.474  -2.117   5.227
  123    HD2  PRO  17           HD2      PRO  17  -4.767  -0.589   3.015
  124    HD3  PRO  17           HD1      PRO  17  -4.534   0.098   4.633
  125    H    VAL  18           HN       VAL  18  -2.711  -1.555   1.696
  126    HA   VAL  18           HA       VAL  18  -0.839  -3.546   0.913
  127    HB   VAL  18           HB       VAL  18  -2.941  -2.062  -0.674
  128   HG11  VAL  18          HG11      VAL  18  -1.191  -2.826  -2.184
  129   HG12  VAL  18          HG12      VAL  18  -2.660  -3.778  -2.398
  130   HG13  VAL  18          HG13      VAL  18  -1.296  -4.450  -1.504
  131   HG21  VAL  18          HG21      VAL  18  -4.292  -3.995  -0.403
  132   HG22  VAL  18          HG22      VAL  18  -3.654  -3.603   1.193
  133   HG23  VAL  18          HG23      VAL  18  -2.949  -4.923   0.262
  134    H    ILE  19           HN       ILE  19  -1.379  -0.195  -0.085
  135    HA   ILE  19           HA       ILE  19   0.753  -0.110  -1.958
  136    HB   ILE  19           HB       ILE  19  -0.618   2.183  -0.545
  137   HG12  ILE  19          HG12      ILE  19  -1.228   1.197  -3.321
  138   HG13  ILE  19          HG11      ILE  19  -2.020   0.487  -1.917
  139   HG21  ILE  19          HG21      ILE  19   1.008   2.103  -3.083
  140   HG22  ILE  19          HG22      ILE  19   1.481   2.853  -1.559
  141   HG23  ILE  19          HG23      ILE  19   0.126   3.505  -2.481
  142   HD11  ILE  19          HD11      ILE  19  -2.961   2.621  -1.322
  143   HD12  ILE  19          HD12      ILE  19  -3.358   2.238  -2.998
  144   HD13  ILE  19          HD13      ILE  19  -2.086   3.407  -2.637
  145    H    ALA  20           HN       ALA  20   0.404   0.866   1.425
  146    HA   ALA  20           HA       ALA  20   2.946   2.067   1.691
  147    HB1  ALA  20           HB1      ALA  20   1.099   2.450   3.267
  148    HB2  ALA  20           HB2      ALA  20   2.571   1.927   4.086
  149    HB3  ALA  20           HB3      ALA  20   1.250   0.786   3.833
  150    H    GLY  21           HN       GLY  21   1.807  -1.242   2.041
  151    HA2  GLY  21           HA2      GLY  21   4.121  -2.315   3.257
  152    HA3  GLY  21           HA1      GLY  21   2.932  -3.225   2.334
  153    H    ILE  22           HN       ILE  22   3.158  -2.031  -0.141
  154    HA   ILE  22           HA       ILE  22   5.448  -3.322  -1.198
  155    HB   ILE  22           HB       ILE  22   3.565  -1.343  -2.493
  156   HG12  ILE  22          HG12      ILE  22   3.653  -4.355  -2.744
  157   HG13  ILE  22          HG11      ILE  22   2.588  -3.504  -1.631
  158   HG21  ILE  22          HG21      ILE  22   4.407  -2.253  -4.627
  159   HG22  ILE  22          HG22      ILE  22   5.620  -3.169  -3.733
  160   HG23  ILE  22          HG23      ILE  22   5.653  -1.406  -3.710
  161   HD11  ILE  22          HD11      ILE  22   2.581  -3.124  -4.615
  162   HD12  ILE  22          HD12      ILE  22   1.434  -2.458  -3.452
  163   HD13  ILE  22          HD13      ILE  22   1.495  -4.197  -3.734
  164    H    LEU  23           HN       LEU  23   4.674   0.012  -0.404
  165    HA   LEU  23           HA       LEU  23   6.901   1.228  -1.636
  166    HB2  LEU  23           HB2      LEU  23   5.001   2.549  -0.978
  167    HB3  LEU  23           HB1      LEU  23   5.191   2.076   0.699
  168    HG   LEU  23           HG       LEU  23   7.310   3.326   0.808
  169   HD11  LEU  23          HD11      LEU  23   6.621   4.169  -2.004
  170   HD12  LEU  23          HD12      LEU  23   7.979   3.150  -1.524
  171   HD13  LEU  23          HD13      LEU  23   7.921   4.838  -1.017
  172   HD21  LEU  23          HD21      LEU  23   4.958   4.927  -0.193
  173   HD22  LEU  23          HD22      LEU  23   6.331   5.571   0.708
  174   HD23  LEU  23          HD23      LEU  23   5.239   4.414   1.471
  175    H    ALA  24           HN       ALA  24   6.410  -0.230   1.521
  176    HA   ALA  24           HA       ALA  24   8.798   0.656   2.730
  177    HB1  ALA  24           HB1      ALA  24   6.933  -0.250   4.016
  178    HB2  ALA  24           HB2      ALA  24   8.419  -1.140   4.349
  179    HB3  ALA  24           HB3      ALA  24   7.191  -1.836   3.290
  180    H    SER  25           HN       SER  25   8.027  -2.170   0.763
  181    HA   SER  25           HA       SER  25  10.474  -3.530   1.123
  182    HB2  SER  25           HB2      SER  25   8.541  -3.635  -1.206
  183    HB3  SER  25           HB1      SER  25   9.831  -4.798  -0.898
  184    HG   SER  25           HG       SER  25   7.684  -5.390  -0.115
  185    H    MET  26           HN       MET  26   9.415  -1.108  -1.221
  186    HA   MET  26           HA       MET  26  11.699  -1.267  -2.885
  187    HB2  MET  26           HB2      MET  26   9.781   1.031  -2.445
  188    HB3  MET  26           HB1      MET  26  10.961   0.937  -3.745
  189    HG2  MET  26           HG2      MET  26   9.820  -1.187  -4.470
  190    HG3  MET  26           HG1      MET  26   8.546  -0.794  -3.317
  191    HE1  MET  26           HE1      MET  26   6.997   1.398  -3.513
  192    HE2  MET  26           HE2      MET  26   7.236   2.630  -4.753
  193    HE3  MET  26           HE3      MET  26   8.467   2.373  -3.516
  194    H    ILE  27           HN       ILE  27  10.942   0.603  -0.005
  195    HA   ILE  27           HA       ILE  27  13.191   2.324  -0.134
  196    HB   ILE  27           HB       ILE  27  11.474   1.486   2.204
  197   HG12  ILE  27          HG12      ILE  27  11.585   4.079   0.647
  198   HG13  ILE  27          HG11      ILE  27  10.393   2.811   0.386
  199   HG21  ILE  27          HG21      ILE  27  12.472   3.412   3.396
  200   HG22  ILE  27          HG22      ILE  27  13.630   3.590   2.078
  201   HG23  ILE  27          HG23      ILE  27  13.633   2.128   3.063
  202   HD11  ILE  27          HD11      ILE  27   9.478   4.608   1.725
  203   HD12  ILE  27          HD12      ILE  27  10.763   4.399   2.915
  204   HD13  ILE  27          HD13      ILE  27   9.575   3.120   2.667
  205    H    VAL  28           HN       VAL  28  12.587  -0.739   1.558
  206    HA   VAL  28           HA       VAL  28  15.093  -0.872   2.854
  207    HB   VAL  28           HB       VAL  28  13.219  -3.112   2.071
  208   HG11  VAL  28          HG11      VAL  28  15.552  -3.112   3.986
  209   HG12  VAL  28          HG12      VAL  28  15.454  -3.978   2.453
  210   HG13  VAL  28          HG13      VAL  28  14.393  -4.427   3.788
  211   HG21  VAL  28          HG21      VAL  28  12.207  -1.469   3.566
  212   HG22  VAL  28          HG22      VAL  28  13.564  -1.634   4.680
  213   HG23  VAL  28          HG23      VAL  28  12.481  -2.998   4.401
  214    H    ASN  29           HN       ASN  29  13.923  -2.288  -0.186
  215    HA   ASN  29           HA       ASN  29  16.216  -3.712  -0.876
  216    HB2  ASN  29           HB2      ASN  29  14.110  -2.407  -2.603
  217    HB3  ASN  29           HB1      ASN  29  15.372  -3.453  -3.246
  218   HD21  ASN  29          HD21      ASN  29  13.803  -4.908  -3.984
  219   HD22  ASN  29          HD22      ASN  29  12.986  -5.980  -2.903
  220    H    TRP  30           HN       TRP  30  15.385  -0.330  -1.371
  221    HA   TRP  30           HA       TRP  30  17.588   0.307  -3.035
  222    HB2  TRP  30           HB2      TRP  30  15.887   1.880  -3.160
  223    HB3  TRP  30           HB1      TRP  30  15.616   1.879  -1.422
  224    HD1  TRP  30           HD1      TRP  30  18.545   2.954  -3.758
  225    HE1  TRP  30           HE1      TRP  30  19.464   5.189  -2.872
  226    HE3  TRP  30           HE3      TRP  30  15.493   3.529   0.298
  227    HZ2  TRP  30           HZ2      TRP  30  18.959   6.962  -0.731
  228    HZ3  TRP  30           HZ3      TRP  30  15.775   5.518   1.718
  229    HH2  TRP  30           HH2      TRP  30  17.473   7.199   1.212
  230    H    LEU  31           HN       LEU  31  17.029   0.638   0.454
  231    HA   LEU  31           HA       LEU  31  19.509   1.805   1.072
  232    HB2  LEU  31           HB2      LEU  31  17.401   0.378   2.613
  233    HB3  LEU  31           HB1      LEU  31  18.960   0.626   3.376
  234    HG   LEU  31           HG       LEU  31  17.381   2.893   2.182
  235   HD11  LEU  31          HD11      LEU  31  15.979   1.875   3.860
  236   HD12  LEU  31          HD12      LEU  31  16.646   3.384   4.484
  237   HD13  LEU  31          HD13      LEU  31  17.321   1.840   5.003
  238   HD21  LEU  31          HD21      LEU  31  18.777   4.240   3.677
  239   HD22  LEU  31          HD22      LEU  31  19.753   3.306   2.543
  240   HD23  LEU  31          HD23      LEU  31  19.602   2.778   4.219
  241    H    ASN  32           HN       ASN  32  18.546  -1.506   0.549
  242    HA   ASN  32           HA       ASN  32  20.836  -2.713   1.736
  243    HB2  ASN  32           HB2      ASN  32  18.861  -3.763  -0.300
  244    HB3  ASN  32           HB1      ASN  32  20.113  -4.741   0.460
  245   HD21  ASN  32          HD21      ASN  32  17.219  -5.019   0.557
  246   HD22  ASN  32          HD22      ASN  32  16.787  -4.959   2.228
  247    H    LYS  33           HN       LYS  33  20.334  -1.023  -1.160
  248    HA   LYS  33           HA       LYS  33  22.497  -2.325  -2.598
  249    HB2  LYS  33           HB2      LYS  33  20.471  -1.582  -3.801
  250    HB3  LYS  33           HB1      LYS  33  20.819   0.079  -3.344
  251    HG2  LYS  33           HG2      LYS  33  22.915  -1.428  -4.809
  252    HG3  LYS  33           HG1      LYS  33  21.491  -0.892  -5.702
  253    HD2  LYS  33           HD2      LYS  33  21.899   1.411  -4.855
  254    HD3  LYS  33           HD1      LYS  33  23.393   0.832  -4.115
  255    HE2  LYS  33           HE2      LYS  33  24.215   0.163  -6.329
  256    HE3  LYS  33           HE1      LYS  33  22.728   0.771  -7.057
  257    HZ1  LYS  33           HZ1      LYS  33  24.733   2.389  -5.578
  258    HZ2  LYS  33           HZ2      LYS  33  23.290   2.983  -6.230
  259    HZ3  LYS  33           HZ3      LYS  33  24.496   2.385  -7.254
  260    H    ARG  34           HN       ARG  34  21.811   0.789  -1.056
  261    HA   ARG  34           HA       ARG  34  24.464   1.787  -1.651
  262    HB2  ARG  34           HB2      ARG  34  23.733   3.789  -0.388
  263    HB3  ARG  34           HB1      ARG  34  22.632   3.367  -1.691
  264    HG2  ARG  34           HG2      ARG  34  21.053   2.445  -0.153
  265    HG3  ARG  34           HG1      ARG  34  22.190   2.608   1.187
  266    HD2  ARG  34           HD2      ARG  34  21.015   4.883  -0.408
  267    HD3  ARG  34           HD1      ARG  34  20.488   4.379   1.197
  268    HE   ARG  34           HE       ARG  34  23.240   4.914   1.272
  269   HH11  ARG  34          HH11      ARG  34  20.201   6.583   0.915
  270   HH12  ARG  34          HH12      ARG  34  20.791   8.066   1.586
  271   HH21  ARG  34          HH21      ARG  34  24.023   6.862   2.159
  272   HH22  ARG  34          HH22      ARG  34  22.962   8.224   2.293
  273    H    LYS  35           HN       LYS  35  24.277  -0.619  -0.058
  274    HA   LYS  35           HA       LYS  35  24.640  -0.155   2.680
  275    HB2  LYS  35           HB2      LYS  35  25.845  -2.388   2.620
  276    HB3  LYS  35           HB1      LYS  35  24.202  -2.377   1.995
  277    HG2  LYS  35           HG2      LYS  35  25.179  -2.171  -0.306
  278    HG3  LYS  35           HG1      LYS  35  26.763  -2.451   0.421
  279    HD2  LYS  35           HD2      LYS  35  25.897  -4.591   1.344
  280    HD3  LYS  35           HD1      LYS  35  24.391  -4.314   0.464
  281    HE2  LYS  35           HE2      LYS  35  25.830  -5.815  -0.785
  282    HE3  LYS  35           HE1      LYS  35  25.642  -4.289  -1.647
  283    HZ1  LYS  35           HZ1      LYS  35  27.979  -5.071   0.012
  284    HZ2  LYS  35           HZ2      LYS  35  27.800  -3.593  -0.791
  285    HZ3  LYS  35           HZ3      LYS  35  27.932  -5.026  -1.679
  Start of MODEL   13
    1    H1   MET   1           HT1      MET   1  27.746  -0.630  -4.164
    2    H2   MET   1           HT2      MET   1  27.581  -1.571  -2.769
    3    H3   MET   1           HT3      MET   1  28.236  -0.015  -2.666
    4    HA   MET   1           HA       MET   1  26.145   0.957  -3.334
    5    HB2  MET   1           HB2      MET   1  25.310  -0.831  -4.726
    6    HB3  MET   1           HB1      MET   1  25.236  -1.925  -3.352
    7    HG2  MET   1           HG2      MET   1  23.037  -1.049  -4.043
    8    HG3  MET   1           HG1      MET   1  23.450  -0.676  -2.371
    9    HE1  MET   1           HE1      MET   1  23.219   0.731  -6.036
   10    HE2  MET   1           HE2      MET   1  24.884   1.101  -5.586
   11    HE3  MET   1           HE3      MET   1  23.717   2.406  -5.802
   12    H    THR   2           HN       THR   2  24.740   1.659  -1.756
   13    HA   THR   2           HA       THR   2  25.402   0.756   0.942
   14    HB   THR   2           HB       THR   2  23.752   2.879   1.329
   15    HG1  THR   2           HG1      THR   2  25.184   4.048  -0.664
   16   HG21  THR   2          HG21      THR   2  25.981   2.599   2.295
   17   HG22  THR   2          HG22      THR   2  25.797   4.216   1.614
   18   HG23  THR   2          HG23      THR   2  26.716   2.990   0.740
   19    H    PHE   3           HN       PHE   3  24.100  -0.558   2.019
   20    HA   PHE   3           HA       PHE   3  21.638  -1.475   1.026
   21    HB2  PHE   3           HB2      PHE   3  23.309  -2.454   2.846
   22    HB3  PHE   3           HB1      PHE   3  22.197  -1.650   3.951
   23    HD1  PHE   3           HD1      PHE   3  20.370  -2.832   4.712
   24    HD2  PHE   3           HD2      PHE   3  22.147  -3.920   1.002
   25    HE1  PHE   3           HE1      PHE   3  18.828  -4.743   4.536
   26    HE2  PHE   3           HE2      PHE   3  20.611  -5.828   0.819
   27    HZ   PHE   3           HZ       PHE   3  18.947  -6.244   2.586
   28    H    ALA   4           HN       ALA   4  22.470   1.115   3.225
   29    HA   ALA   4           HA       ALA   4  19.845   1.582   4.209
   30    HB1  ALA   4           HB1      ALA   4  21.819   2.365   5.405
   31    HB2  ALA   4           HB2      ALA   4  20.744   3.710   5.022
   32    HB3  ALA   4           HB3      ALA   4  22.208   3.453   4.072
   33    H    GLU   5           HN       GLU   5  21.744   2.977   1.556
   34    HA   GLU   5           HA       GLU   5  19.810   4.913   0.817
   35    HB2  GLU   5           HB2      GLU   5  22.095   3.667  -0.718
   36    HB3  GLU   5           HB1      GLU   5  21.086   4.954  -1.365
   37    HG2  GLU   5           HG2      GLU   5  22.775   5.128   1.120
   38    HG3  GLU   5           HG1      GLU   5  23.175   5.811  -0.455
   39    H    LEU   6           HN       LEU   6  20.241   1.541   0.089
   40    HA   LEU   6           HA       LEU   6  18.191   1.611  -1.986
   41    HB2  LEU   6           HB2      LEU   6  20.344   0.213  -2.103
   42    HB3  LEU   6           HB1      LEU   6  19.577  -0.839  -0.928
   43    HG   LEU   6           HG       LEU   6  17.980  -0.257  -3.345
   44   HD11  LEU   6          HD11      LEU   6  20.452  -1.979  -3.448
   45   HD12  LEU   6          HD12      LEU   6  20.180  -0.485  -4.345
   46   HD13  LEU   6          HD13      LEU   6  19.198  -1.909  -4.686
   47   HD21  LEU   6          HD21      LEU   6  17.554  -2.698  -3.132
   48   HD22  LEU   6          HD22      LEU   6  17.131  -1.777  -1.691
   49   HD23  LEU   6          HD23      LEU   6  18.620  -2.719  -1.728
   50    H    GLY   7           HN       GLY   7  18.460   1.213   1.349
   51    HA2  GLY   7           HA2      GLY   7  16.431  -0.721   1.808
   52    HA3  GLY   7           HA1      GLY   7  17.036   0.436   2.981
   53    H    MET   8           HN       MET   8  16.356   2.835   1.811
   54    HA   MET   8           HA       MET   8  13.594   2.984   2.471
   55    HB2  MET   8           HB2      MET   8  15.401   5.046   1.197
   56    HB3  MET   8           HB1      MET   8  13.800   5.367   1.848
   57    HG2  MET   8           HG2      MET   8  16.171   4.386   3.420
   58    HG3  MET   8           HG1      MET   8  15.564   6.040   3.390
   59    HE1  MET   8           HE1      MET   8  15.622   5.802   6.096
   60    HE2  MET   8           HE2      MET   8  16.043   4.091   6.010
   61    HE3  MET   8           HE3      MET   8  14.668   4.614   6.983
   62    H    ALA   9           HN       ALA   9  15.372   3.218  -0.593
   63    HA   ALA   9           HA       ALA   9  13.151   3.805  -2.219
   64    HB1  ALA   9           HB1      ALA   9  14.560   3.093  -4.088
   65    HB2  ALA   9           HB2      ALA   9  15.712   2.389  -2.953
   66    HB3  ALA   9           HB3      ALA   9  15.445   4.132  -2.972
   67    H    PHE  10           HN       PHE  10  14.647   0.731  -1.301
   68    HA   PHE  10           HA       PHE  10  12.941  -0.891  -2.885
   69    HB2  PHE  10           HB2      PHE  10  15.018  -1.832  -2.263
   70    HB3  PHE  10           HB1      PHE  10  14.778  -1.446  -0.565
   71    HD1  PHE  10           HD1      PHE  10  14.731  -3.369   0.648
   72    HD2  PHE  10           HD2      PHE  10  12.658  -3.249  -3.068
   73    HE1  PHE  10           HE1      PHE  10  13.871  -5.637   1.060
   74    HE2  PHE  10           HE2      PHE  10  11.796  -5.518  -2.665
   75    HZ   PHE  10           HZ       PHE  10  12.401  -6.716  -0.598
   76    H    TRP  11           HN       TRP  11  12.905  -0.006   0.565
   77    HA   TRP  11           HA       TRP  11  10.656  -1.553   1.243
   78    HB2  TRP  11           HB2      TRP  11  12.165   0.655   2.499
   79    HB3  TRP  11           HB1      TRP  11  10.504   0.455   3.045
   80    HD1  TRP  11           HD1      TRP  11  13.879  -0.741   3.793
   81    HE1  TRP  11           HE1      TRP  11  13.809  -2.858   5.254
   82    HE3  TRP  11           HE3      TRP  11   8.946  -1.961   3.222
   83    HZ2  TRP  11           HZ2      TRP  11  11.918  -4.790   6.057
   84    HZ3  TRP  11           HZ3      TRP  11   8.087  -3.961   4.371
   85    HH2  TRP  11           HH2      TRP  11   9.544  -5.347   5.757
   86    H    HIS  12           HN       HIS  12  10.939   1.802   0.159
   87    HA   HIS  12           HA       HIS  12   8.182   2.403   0.414
   88    HB2  HIS  12           HB2      HIS  12  10.404   3.685  -1.174
   89    HB3  HIS  12           HB1      HIS  12   8.759   4.314  -1.161
   90    HD1  HIS  12           HD1      HIS  12  10.373   2.972   1.969
   91    HD2  HIS  12           HD2      HIS  12   9.422   6.613   0.209
   92    HE1  HIS  12           HE1      HIS  12  10.728   4.735   3.748
   93    H    ASP  13           HN       ASP  13  10.163   1.201  -2.252
   94    HA   ASP  13           HA       ASP  13   8.171   1.371  -4.245
   95    HB2  ASP  13           HB2      ASP  13  10.548   1.138  -4.795
   96    HB3  ASP  13           HB1      ASP  13  10.563  -0.472  -4.080
   97    H    LEU  14           HN       LEU  14   9.137  -1.258  -2.063
   98    HA   LEU  14           HA       LEU  14   7.270  -3.121  -3.159
   99    HB2  LEU  14           HB2      LEU  14   7.971  -4.628  -1.524
  100    HB3  LEU  14           HB1      LEU  14   9.396  -3.683  -1.892
  101    HG   LEU  14           HG       LEU  14   8.584  -2.277   0.199
  102   HD11  LEU  14          HD11      LEU  14   7.465  -3.530   1.853
  103   HD12  LEU  14          HD12      LEU  14   7.612  -5.024   0.928
  104   HD13  LEU  14          HD13      LEU  14   6.529  -3.749   0.374
  105   HD21  LEU  14          HD21      LEU  14  10.063  -3.650   1.582
  106   HD22  LEU  14          HD22      LEU  14  10.739  -3.394  -0.025
  107   HD23  LEU  14          HD23      LEU  14   9.991  -4.938   0.381
  108    H    ALA  15           HN       ALA  15   7.186  -0.726  -0.648
  109    HA   ALA  15           HA       ALA  15   4.847  -1.665   0.662
  110    HB1  ALA  15           HB1      ALA  15   5.971   1.131   0.637
  111    HB2  ALA  15           HB2      ALA  15   6.493  -0.162   1.717
  112    HB3  ALA  15           HB3      ALA  15   4.842   0.453   1.811
  113    H    ALA  16           HN       ALA  16   5.416   0.511  -2.042
  114    HA   ALA  16           HA       ALA  16   3.029   1.847  -2.219
  115    HB1  ALA  16           HB1      ALA  16   4.976   2.205  -3.695
  116    HB2  ALA  16           HB2      ALA  16   3.447   2.117  -4.572
  117    HB3  ALA  16           HB3      ALA  16   4.547   0.739  -4.575
  118    HA   PRO  17           HA       PRO  17   0.929  -1.765  -4.629
  119    HB2  PRO  17           HB2      PRO  17   2.122  -4.201  -4.637
  120    HB3  PRO  17           HB1      PRO  17   2.485  -2.964  -5.856
  121    HG2  PRO  17           HG2      PRO  17   4.027  -3.707  -3.414
  122    HG3  PRO  17           HG1      PRO  17   4.607  -3.359  -5.057
  123    HD2  PRO  17           HD2      PRO  17   4.712  -1.535  -3.064
  124    HD3  PRO  17           HD1      PRO  17   4.493  -1.088  -4.766
  125    H    VAL  18           HN       VAL  18   2.709  -2.496  -1.696
  126    HA   VAL  18           HA       VAL  18   0.973  -4.502  -0.692
  127    HB   VAL  18           HB       VAL  18   2.915  -2.660   0.709
  128   HG11  VAL  18          HG11      VAL  18   1.211  -3.305   2.304
  129   HG12  VAL  18          HG12      VAL  18   2.715  -4.158   2.650
  130   HG13  VAL  18          HG13      VAL  18   1.389  -5.000   1.847
  131   HG21  VAL  18          HG21      VAL  18   4.420  -4.471   0.699
  132   HG22  VAL  18          HG22      VAL  18   3.733  -4.431  -0.925
  133   HG23  VAL  18          HG23      VAL  18   3.162  -5.620   0.245
  134    H    ILE  19           HN       ILE  19   1.230  -1.025  -0.063
  135    HA   ILE  19           HA       ILE  19  -0.972  -0.904   1.723
  136    HB   ILE  19           HB       ILE  19   0.241   1.341   0.106
  137   HG12  ILE  19          HG12      ILE  19   0.940   0.663   2.952
  138   HG13  ILE  19          HG11      ILE  19   1.783  -0.107   1.611
  139   HG21  ILE  19          HG21      ILE  19  -0.608   2.770   1.911
  140   HG22  ILE  19          HG22      ILE  19  -1.356   1.362   2.666
  141   HG23  ILE  19          HG23      ILE  19  -1.909   1.914   1.084
  142   HD11  ILE  19          HD11      ILE  19   2.985   1.830   2.498
  143   HD12  ILE  19          HD12      ILE  19   1.616   2.860   2.077
  144   HD13  ILE  19          HD13      ILE  19   2.530   2.042   0.808
  145    H    ALA  20           HN       ALA  20  -0.590  -0.425  -1.743
  146    HA   ALA  20           HA       ALA  20  -3.140   0.678  -2.249
  147    HB1  ALA  20           HB1      ALA  20  -1.258   0.821  -3.822
  148    HB2  ALA  20           HB2      ALA  20  -2.708   0.159  -4.578
  149    HB3  ALA  20           HB3      ALA  20  -1.386  -0.914  -4.115
  150    H    GLY  21           HN       GLY  21  -1.974  -2.644  -2.059
  151    HA2  GLY  21           HA2      GLY  21  -4.311  -3.852  -3.139
  152    HA3  GLY  21           HA1      GLY  21  -3.083  -4.660  -2.176
  153    H    ILE  22           HN       ILE  22  -3.234  -3.293   0.203
  154    HA   ILE  22           HA       ILE  22  -5.526  -4.470   1.397
  155    HB   ILE  22           HB       ILE  22  -3.652  -2.420   2.589
  156   HG12  ILE  22          HG12      ILE  22  -3.537  -5.431   2.845
  157   HG13  ILE  22          HG11      ILE  22  -2.570  -4.522   1.689
  158   HG21  ILE  22          HG21      ILE  22  -5.521  -4.397   3.892
  159   HG22  ILE  22          HG22      ILE  22  -5.731  -2.647   3.833
  160   HG23  ILE  22          HG23      ILE  22  -4.387  -3.344   4.739
  161   HD11  ILE  22          HD11      ILE  22  -1.488  -3.335   3.514
  162   HD12  ILE  22          HD12      ILE  22  -1.299  -5.080   3.684
  163   HD13  ILE  22          HD13      ILE  22  -2.472  -4.218   4.681
  164    H    LEU  23           HN       LEU  23  -4.686  -1.218   0.387
  165    HA   LEU  23           HA       LEU  23  -6.833   0.142   1.608
  166    HB2  LEU  23           HB2      LEU  23  -4.879   1.322   0.806
  167    HB3  LEU  23           HB1      LEU  23  -5.194   0.802  -0.838
  168    HG   LEU  23           HG       LEU  23  -7.294   2.135  -0.812
  169   HD11  LEU  23          HD11      LEU  23  -7.609   3.799   0.945
  170   HD12  LEU  23          HD12      LEU  23  -6.222   3.149   1.818
  171   HD13  LEU  23          HD13      LEU  23  -7.668   2.163   1.600
  172   HD21  LEU  23          HD21      LEU  23  -4.745   3.635  -0.226
  173   HD22  LEU  23          HD22      LEU  23  -6.181   4.315  -0.993
  174   HD23  LEU  23          HD23      LEU  23  -5.271   3.037  -1.800
  175    H    ALA  24           HN       ALA  24  -6.482  -1.511  -1.475
  176    HA   ALA  24           HA       ALA  24  -8.815  -0.609  -2.734
  177    HB1  ALA  24           HB1      ALA  24  -7.473  -3.297  -3.008
  178    HB2  ALA  24           HB2      ALA  24  -7.043  -1.836  -3.897
  179    HB3  ALA  24           HB3      ALA  24  -8.619  -2.587  -4.145
  180    H    SER  25           HN       SER  25  -8.272  -3.344  -0.552
  181    HA   SER  25           HA       SER  25 -10.865  -4.426  -0.704
  182    HB2  SER  25           HB2      SER  25  -8.866  -4.546   1.570
  183    HB3  SER  25           HB1      SER  25 -10.294  -5.569   1.417
  184    HG   SER  25           HG       SER  25  -8.253  -6.473   0.627
  185    H    MET  26           HN       MET  26  -9.480  -1.834   1.193
  186    HA   MET  26           HA       MET  26 -11.633  -1.554   3.023
  187    HB2  MET  26           HB2      MET  26  -9.560   0.462   2.134
  188    HB3  MET  26           HB1      MET  26 -10.630   0.652   3.516
  189    HG2  MET  26           HG2      MET  26  -9.610  -1.241   4.612
  190    HG3  MET  26           HG1      MET  26  -8.597  -1.544   3.204
  191    HE1  MET  26           HE1      MET  26  -9.400   0.979   6.122
  192    HE2  MET  26           HE2      MET  26  -9.532   1.979   4.675
  193    HE3  MET  26           HE3      MET  26  -8.213   2.246   5.814
  194    H    ILE  27           HN       ILE  27 -10.808   0.034  -0.034
  195    HA   ILE  27           HA       ILE  27 -12.917   1.891  -0.053
  196    HB   ILE  27           HB       ILE  27 -11.564   0.618  -2.438
  197   HG12  ILE  27          HG12      ILE  27 -10.920   3.209  -1.013
  198   HG13  ILE  27          HG11      ILE  27 -10.008   1.716  -0.827
  199   HG21  ILE  27          HG21      ILE  27 -13.012   3.256  -2.249
  200   HG22  ILE  27          HG22      ILE  27 -13.714   1.780  -2.910
  201   HG23  ILE  27          HG23      ILE  27 -12.318   2.521  -3.694
  202   HD11  ILE  27          HD11      ILE  27  -9.462   1.781  -3.221
  203   HD12  ILE  27          HD12      ILE  27  -8.880   3.200  -2.352
  204   HD13  ILE  27          HD13      ILE  27 -10.325   3.313  -3.356
  205    H    VAL  28           HN       VAL  28 -12.685  -1.425  -1.284
  206    HA   VAL  28           HA       VAL  28 -15.232  -1.465  -2.517
  207    HB   VAL  28           HB       VAL  28 -13.592  -3.768  -1.443
  208   HG11  VAL  28          HG11      VAL  28 -15.878  -4.474  -1.642
  209   HG12  VAL  28          HG12      VAL  28 -14.969  -5.142  -2.997
  210   HG13  VAL  28          HG13      VAL  28 -16.013  -3.742  -3.240
  211   HG21  VAL  28          HG21      VAL  28 -13.868  -2.677  -4.243
  212   HG22  VAL  28          HG22      VAL  28 -12.912  -4.080  -3.764
  213   HG23  VAL  28          HG23      VAL  28 -12.467  -2.472  -3.192
  214    H    ASN  29           HN       ASN  29 -14.121  -2.592   0.669
  215    HA   ASN  29           HA       ASN  29 -16.557  -3.584   1.598
  216    HB2  ASN  29           HB2      ASN  29 -14.160  -2.442   3.018
  217    HB3  ASN  29           HB1      ASN  29 -15.564  -3.025   3.906
  218   HD21  ASN  29          HD21      ASN  29 -14.454  -4.443   0.913
  219   HD22  ASN  29          HD22      ASN  29 -13.911  -5.933   1.596
  220    H    TRP  30           HN       TRP  30 -15.263  -0.314   1.599
  221    HA   TRP  30           HA       TRP  30 -17.291   0.822   3.235
  222    HB2  TRP  30           HB2      TRP  30 -15.346   2.109   3.131
  223    HB3  TRP  30           HB1      TRP  30 -15.200   1.926   1.387
  224    HD1  TRP  30           HD1      TRP  30 -17.849   3.550   3.740
  225    HE1  TRP  30           HE1      TRP  30 -18.510   5.819   2.719
  226    HE3  TRP  30           HE3      TRP  30 -14.901   3.448  -0.433
  227    HZ2  TRP  30           HZ2      TRP  30 -17.868   7.358   0.440
  228    HZ3  TRP  30           HZ3      TRP  30 -14.984   5.354  -1.985
  229    HH2  TRP  30           HH2      TRP  30 -16.439   7.270  -1.556
  230    H    LEU  31           HN       LEU  31 -16.778   0.745  -0.277
  231    HA   LEU  31           HA       LEU  31 -19.098   2.168  -0.963
  232    HB2  LEU  31           HB2      LEU  31 -17.207   0.385  -2.402
  233    HB3  LEU  31           HB1      LEU  31 -18.745   0.737  -3.170
  234    HG   LEU  31           HG       LEU  31 -16.878   2.891  -2.195
  235   HD11  LEU  31          HD11      LEU  31 -16.174   3.133  -4.527
  236   HD12  LEU  31          HD12      LEU  31 -17.096   1.691  -4.950
  237   HD13  LEU  31          HD13      LEU  31 -15.714   1.566  -3.862
  238   HD21  LEU  31          HD21      LEU  31 -18.183   4.306  -3.685
  239   HD22  LEU  31          HD22      LEU  31 -19.223   3.530  -2.491
  240   HD23  LEU  31          HD23      LEU  31 -19.178   2.924  -4.146
  241    H    ASN  32           HN       ASN  32 -18.589  -1.168  -0.115
  242    HA   ASN  32           HA       ASN  32 -21.032  -2.157  -1.202
  243    HB2  ASN  32           HB2      ASN  32 -19.173  -3.261   0.910
  244    HB3  ASN  32           HB1      ASN  32 -20.595  -4.119   0.324
  245   HD21  ASN  32          HD21      ASN  32 -17.820  -4.892   0.170
  246   HD22  ASN  32          HD22      ASN  32 -17.456  -5.088  -1.507
  247    H    LYS  33           HN       LYS  33 -20.299  -0.237   1.478
  248    HA   LYS  33           HA       LYS  33 -22.602  -1.080   3.041
  249    HB2  LYS  33           HB2      LYS  33 -20.519  -0.511   4.206
  250    HB3  LYS  33           HB1      LYS  33 -20.580   1.114   3.537
  251    HG2  LYS  33           HG2      LYS  33 -22.938   0.212   5.080
  252    HG3  LYS  33           HG1      LYS  33 -21.451   0.516   5.981
  253    HD2  LYS  33           HD2      LYS  33 -21.346   2.769   5.171
  254    HD3  LYS  33           HD1      LYS  33 -22.685   2.484   4.058
  255    HE2  LYS  33           HE2      LYS  33 -22.868   2.361   7.066
  256    HE3  LYS  33           HE1      LYS  33 -23.365   3.732   6.077
  257    HZ1  LYS  33           HZ1      LYS  33 -24.515   0.997   5.957
  258    HZ2  LYS  33           HZ2      LYS  33 -24.984   2.299   4.984
  259    HZ3  LYS  33           HZ3      LYS  33 -25.250   2.353   6.654
  260    H    ARG  34           HN       ARG  34 -21.466   1.854   1.378
  261    HA   ARG  34           HA       ARG  34 -23.929   3.249   1.823
  262    HB2  ARG  34           HB2      ARG  34 -22.965   4.939   0.266
  263    HB3  ARG  34           HB1      ARG  34 -21.919   4.548   1.623
  264    HG2  ARG  34           HG2      ARG  34 -20.542   3.153   0.211
  265    HG3  ARG  34           HG1      ARG  34 -21.631   3.416  -1.153
  266    HD2  ARG  34           HD2      ARG  34 -20.055   5.556   0.273
  267    HD3  ARG  34           HD1      ARG  34 -19.628   4.835  -1.278
  268    HE   ARG  34           HE       ARG  34 -22.261   5.948  -1.278
  269   HH11  ARG  34          HH11      ARG  34 -18.877   6.724  -1.592
  270   HH12  ARG  34          HH12      ARG  34 -19.160   8.147  -2.538
  271   HH21  ARG  34          HH21      ARG  34 -22.641   7.819  -2.521
  272   HH22  ARG  34          HH22      ARG  34 -21.300   8.772  -3.063
  273    H    LYS  35           HN       LYS  35 -22.450   1.583  -0.922
  274    HA   LYS  35           HA       LYS  35 -23.278   0.857  -2.911
  275    HB2  LYS  35           HB2      LYS  35 -25.919   0.807  -1.444
  276    HB3  LYS  35           HB1      LYS  35 -25.486  -0.132  -2.867
  277    HG2  LYS  35           HG2      LYS  35 -23.935  -1.443  -1.630
  278    HG3  LYS  35           HG1      LYS  35 -24.074  -0.386  -0.224
  279    HD2  LYS  35           HD2      LYS  35 -25.370  -2.311   0.252
  280    HD3  LYS  35           HD1      LYS  35 -26.511  -1.022  -0.134
  281    HE2  LYS  35           HE2      LYS  35 -26.729  -1.896  -2.409
  282    HE3  LYS  35           HE1      LYS  35 -25.584  -3.180  -2.027
  283    HZ1  LYS  35           HZ1      LYS  35 -28.252  -2.776  -0.789
  284    HZ2  LYS  35           HZ2      LYS  35 -27.140  -3.958  -0.313
  285    HZ3  LYS  35           HZ3      LYS  35 -27.816  -4.010  -1.862
  Start of MODEL   14
    1    H1   MET   1           HT1      MET   1  27.564   0.314   5.080
    2    H2   MET   1           HT2      MET   1  27.042   1.539   4.037
    3    H3   MET   1           HT3      MET   1  28.313   0.521   3.578
    4    HA   MET   1           HA       MET   1  26.839  -1.372   3.536
    5    HB2  MET   1           HB2      MET   1  24.406  -1.003   3.748
    6    HB3  MET   1           HB1      MET   1  25.265  -0.650   5.241
    7    HG2  MET   1           HG2      MET   1  25.173   1.748   4.693
    8    HG3  MET   1           HG1      MET   1  24.244   1.359   3.247
    9    HE1  MET   1           HE1      MET   1  24.013  -0.313   6.816
   10    HE2  MET   1           HE2      MET   1  22.748   0.666   7.558
   11    HE3  MET   1           HE3      MET   1  24.305   1.392   7.158
   12    H    THR   2           HN       THR   2  24.821  -1.473   1.856
   13    HA   THR   2           HA       THR   2  25.724   0.108  -0.455
   14    HB   THR   2           HB       THR   2  24.042  -2.044  -1.267
   15    HG1  THR   2           HG1      THR   2  26.274  -3.111   0.062
   16   HG21  THR   2          HG21      THR   2  27.022  -1.616  -1.520
   17   HG22  THR   2          HG22      THR   2  25.787  -1.025  -2.631
   18   HG23  THR   2          HG23      THR   2  26.070  -2.759  -2.467
   19    H    PHE   3           HN       PHE   3  24.350   1.384  -1.533
   20    HA   PHE   3           HA       PHE   3  21.877   2.112  -0.400
   21    HB2  PHE   3           HB2      PHE   3  23.477   3.429  -1.990
   22    HB3  PHE   3           HB1      PHE   3  22.551   2.659  -3.275
   23    HD1  PHE   3           HD1      PHE   3  21.839   4.368  -0.043
   24    HD2  PHE   3           HD2      PHE   3  20.882   3.943  -4.165
   25    HE1  PHE   3           HE1      PHE   3  20.109   6.108   0.184
   26    HE2  PHE   3           HE2      PHE   3  19.152   5.682  -3.950
   27    HZ   PHE   3           HZ       PHE   3  18.763   6.767  -1.772
   28    H    ALA   4           HN       ALA   4  22.766  -0.122  -2.949
   29    HA   ALA   4           HA       ALA   4  20.165  -0.541  -3.990
   30    HB1  ALA   4           HB1      ALA   4  22.181  -1.150  -5.230
   31    HB2  ALA   4           HB2      ALA   4  21.108  -2.536  -5.035
   32    HB3  ALA   4           HB3      ALA   4  22.550  -2.389  -4.030
   33    H    GLU   5           HN       GLU   5  22.071  -2.167  -1.496
   34    HA   GLU   5           HA       GLU   5  20.260  -4.255  -0.965
   35    HB2  GLU   5           HB2      GLU   5  22.358  -2.933   0.758
   36    HB3  GLU   5           HB1      GLU   5  21.440  -4.340   1.274
   37    HG2  GLU   5           HG2      GLU   5  23.263  -4.190  -1.116
   38    HG3  GLU   5           HG1      GLU   5  23.618  -4.979   0.420
   39    H    LEU   6           HN       LEU   6  20.521  -0.963   0.249
   40    HA   LEU   6           HA       LEU   6  18.368  -1.334   2.147
   41    HB2  LEU   6           HB2      LEU   6  20.355   0.214   2.481
   42    HB3  LEU   6           HB1      LEU   6  19.622   1.264   1.281
   43    HG   LEU   6           HG       LEU   6  17.857   0.507   3.519
   44   HD11  LEU   6          HD11      LEU   6  19.949   0.771   4.728
   45   HD12  LEU   6          HD12      LEU   6  18.874   2.133   5.046
   46   HD13  LEU   6          HD13      LEU   6  20.231   2.320   3.935
   47   HD21  LEU   6          HD21      LEU   6  18.544   3.181   2.310
   48   HD22  LEU   6          HD22      LEU   6  17.149   2.785   3.312
   49   HD23  LEU   6          HD23      LEU   6  17.291   2.106   1.691
   50    H    GLY   7           HN       GLY   7  18.680  -0.665  -1.143
   51    HA2  GLY   7           HA2      GLY   7  16.507   1.117  -1.529
   52    HA3  GLY   7           HA1      GLY   7  17.232   0.094  -2.757
   53    H    MET   8           HN       MET   8  16.720  -2.424  -1.796
   54    HA   MET   8           HA       MET   8  14.013  -2.766  -2.556
   55    HB2  MET   8           HB2      MET   8  15.979  -4.705  -1.328
   56    HB3  MET   8           HB1      MET   8  14.406  -5.159  -1.972
   57    HG2  MET   8           HG2      MET   8  16.621  -3.873  -3.551
   58    HG3  MET   8           HG1      MET   8  16.240  -5.594  -3.543
   59    HE1  MET   8           HE1      MET   8  15.083  -4.261  -7.092
   60    HE2  MET   8           HE2      MET   8  16.260  -5.249  -6.227
   61    HE3  MET   8           HE3      MET   8  16.358  -3.489  -6.149
   62    H    ALA   9           HN       ALA   9  15.664  -3.140   0.578
   63    HA   ALA   9           HA       ALA   9  13.424  -3.924   2.062
   64    HB1  ALA   9           HB1      ALA   9  15.835  -2.371   2.997
   65    HB2  ALA   9           HB2      ALA   9  15.707  -4.127   2.901
   66    HB3  ALA   9           HB3      ALA   9  14.694  -3.230   4.031
   67    H    PHE  10           HN       PHE  10  14.733  -0.710   1.379
   68    HA   PHE  10           HA       PHE  10  12.862   0.711   2.969
   69    HB2  PHE  10           HB2      PHE  10  14.879   1.830   2.487
   70    HB3  PHE  10           HB1      PHE  10  14.756   1.495   0.766
   71    HD1  PHE  10           HD1      PHE  10  14.630   3.453  -0.383
   72    HD2  PHE  10           HD2      PHE  10  12.395   3.045   3.215
   73    HE1  PHE  10           HE1      PHE  10  13.628   5.669  -0.758
   74    HE2  PHE  10           HE2      PHE  10  11.390   5.261   2.848
   75    HZ   PHE  10           HZ       PHE  10  12.007   6.576   0.859
   76    H    TRP  11           HN       TRP  11  13.000  -0.006  -0.517
   77    HA   TRP  11           HA       TRP  11  10.686   1.426  -1.219
   78    HB2  TRP  11           HB2      TRP  11  12.353  -0.665  -2.491
   79    HB3  TRP  11           HB1      TRP  11  10.710  -0.501  -3.100
   80    HD1  TRP  11           HD1      TRP  11  14.076   0.869  -3.603
   81    HE1  TRP  11           HE1      TRP  11  13.991   3.026  -5.003
   82    HE3  TRP  11           HE3      TRP  11   9.060   1.818  -3.325
   83    HZ2  TRP  11           HZ2      TRP  11  12.052   4.884  -5.875
   84    HZ3  TRP  11           HZ3      TRP  11   8.170   3.805  -4.471
   85    HH2  TRP  11           HH2      TRP  11   9.638   5.306  -5.718
   86    H    HIS  12           HN       HIS  12  11.155  -1.914  -0.183
   87    HA   HIS  12           HA       HIS  12   8.473  -2.731  -0.593
   88    HB2  HIS  12           HB2      HIS  12  10.709  -3.835   1.106
   89    HB3  HIS  12           HB1      HIS  12   9.122  -4.592   1.026
   90    HD1  HIS  12           HD1      HIS  12  10.704  -3.141  -2.061
   91    HD2  HIS  12           HD2      HIS  12  10.082  -6.839  -0.271
   92    HE1  HIS  12           HE1      HIS  12  11.288  -4.880  -3.802
   93    H    ASP  13           HN       ASP  13  10.209  -1.402   2.179
   94    HA   ASP  13           HA       ASP  13   8.116  -1.730   4.050
   95    HB2  ASP  13           HB2      ASP  13  10.410  -1.400   4.784
   96    HB3  ASP  13           HB1      ASP  13  10.445   0.197   4.043
   97    H    LEU  14           HN       LEU  14   9.056   0.992   1.963
   98    HA   LEU  14           HA       LEU  14   7.031   2.721   2.996
   99    HB2  LEU  14           HB2      LEU  14   7.715   4.302   1.422
  100    HB3  LEU  14           HB1      LEU  14   9.174   3.443   1.852
  101    HG   LEU  14           HG       LEU  14   8.560   2.029  -0.305
  102   HD11  LEU  14          HD11      LEU  14   7.490   3.298  -2.005
  103   HD12  LEU  14          HD12      LEU  14   7.437   4.736  -0.984
  104   HD13  LEU  14          HD13      LEU  14   6.436   3.339  -0.591
  105   HD21  LEU  14          HD21      LEU  14  10.641   3.201  -0.010
  106   HD22  LEU  14          HD22      LEU  14   9.850   4.754  -0.273
  107   HD23  LEU  14          HD23      LEU  14   9.986   3.599  -1.597
  108    H    ALA  15           HN       ALA  15   7.210   0.367   0.456
  109    HA   ALA  15           HA       ALA  15   4.880   1.181  -0.948
  110    HB1  ALA  15           HB1      ALA  15   6.655  -0.234  -1.931
  111    HB2  ALA  15           HB2      ALA  15   5.038  -0.919  -2.112
  112    HB3  ALA  15           HB3      ALA  15   6.135  -1.559  -0.887
  113    H    ALA  16           HN       ALA  16   5.459  -0.963   1.775
  114    HA   ALA  16           HA       ALA  16   3.153  -2.439   1.865
  115    HB1  ALA  16           HB1      ALA  16   4.940  -2.817   3.424
  116    HB2  ALA  16           HB2      ALA  16   3.452  -2.512   4.322
  117    HB3  ALA  16           HB3      ALA  16   4.671  -1.247   4.179
  118    HA   PRO  17           HA       PRO  17   0.739   1.039   4.173
  119    HB2  PRO  17           HB2      PRO  17   1.782   3.548   4.217
  120    HB3  PRO  17           HB1      PRO  17   2.147   2.340   5.465
  121    HG2  PRO  17           HG2      PRO  17   3.776   3.162   3.112
  122    HG3  PRO  17           HG1      PRO  17   4.284   2.844   4.783
  123    HD2  PRO  17           HD2      PRO  17   4.600   1.033   2.798
  124    HD3  PRO  17           HD1      PRO  17   4.317   0.571   4.487
  125    H    VAL  18           HN       VAL  18   2.581   1.839   1.301
  126    HA   VAL  18           HA       VAL  18   0.767   3.736   0.215
  127    HB   VAL  18           HB       VAL  18   2.846   1.995  -1.120
  128   HG11  VAL  18          HG11      VAL  18   1.259   4.280  -2.287
  129   HG12  VAL  18          HG12      VAL  18   1.154   2.583  -2.756
  130   HG13  VAL  18          HG13      VAL  18   2.635   3.491  -3.059
  131   HG21  VAL  18          HG21      VAL  18   2.948   4.959  -0.628
  132   HG22  VAL  18          HG22      VAL  18   4.270   3.872  -1.058
  133   HG23  VAL  18          HG23      VAL  18   3.543   3.786   0.546
  134    H    ILE  19           HN       ILE  19   1.256   0.275  -0.345
  135    HA   ILE  19           HA       ILE  19  -0.874  -0.011  -2.199
  136    HB   ILE  19           HB       ILE  19   0.434  -2.144  -0.506
  137   HG12  ILE  19          HG12      ILE  19   1.144  -1.481  -3.352
  138   HG13  ILE  19          HG11      ILE  19   1.910  -0.634  -2.012
  139   HG21  ILE  19          HG21      ILE  19  -1.650  -2.879  -1.510
  140   HG22  ILE  19          HG22      ILE  19  -0.280  -3.660  -2.300
  141   HG23  ILE  19          HG23      ILE  19  -1.107  -2.318  -3.091
  142   HD11  ILE  19          HD11      ILE  19   2.798  -2.698  -1.159
  143   HD12  ILE  19          HD12      ILE  19   3.236  -2.522  -2.858
  144   HD13  ILE  19          HD13      ILE  19   1.935  -3.617  -2.392
  145    H    ALA  20           HN       ALA  20  -0.567  -0.449   1.287
  146    HA   ALA  20           HA       ALA  20  -3.118  -1.626   1.688
  147    HB1  ALA  20           HB1      ALA  20  -2.754  -1.150   4.054
  148    HB2  ALA  20           HB2      ALA  20  -1.389  -0.111   3.642
  149    HB3  ALA  20           HB3      ALA  20  -1.308  -1.842   3.317
  150    H    GLY  21           HN       GLY  21  -1.958   1.691   1.584
  151    HA2  GLY  21           HA2      GLY  21  -4.291   2.902   2.661
  152    HA3  GLY  21           HA1      GLY  21  -3.063   3.707   1.695
  153    H    ILE  22           HN       ILE  22  -3.228   2.337  -0.685
  154    HA   ILE  22           HA       ILE  22  -5.512   3.534  -1.873
  155    HB   ILE  22           HB       ILE  22  -3.646   1.474  -3.059
  156   HG12  ILE  22          HG12      ILE  22  -3.550   4.488  -3.299
  157   HG13  ILE  22          HG11      ILE  22  -2.549   3.561  -2.187
  158   HG21  ILE  22          HG21      ILE  22  -5.736   1.689  -4.297
  159   HG22  ILE  22          HG22      ILE  22  -4.390   2.362  -5.216
  160   HG23  ILE  22          HG23      ILE  22  -5.515   3.436  -4.385
  161   HD11  ILE  22          HD11      ILE  22  -2.523   3.369  -5.189
  162   HD12  ILE  22          HD12      ILE  22  -1.547   2.390  -4.095
  163   HD13  ILE  22          HD13      ILE  22  -1.304   4.135  -4.171
  164    H    LEU  23           HN       LEU  23  -4.683   0.243  -0.934
  165    HA   LEU  23           HA       LEU  23  -6.887  -1.051  -2.122
  166    HB2  LEU  23           HB2      LEU  23  -4.972  -2.318  -1.398
  167    HB3  LEU  23           HB1      LEU  23  -5.184  -1.782   0.258
  168    HG   LEU  23           HG       LEU  23  -7.313  -3.042   0.369
  169   HD11  LEU  23          HD11      LEU  23  -6.498  -4.030  -2.360
  170   HD12  LEU  23          HD12      LEU  23  -7.896  -3.021  -1.989
  171   HD13  LEU  23          HD13      LEU  23  -7.818  -4.676  -1.384
  172   HD21  LEU  23          HD21      LEU  23  -5.217  -4.035   1.153
  173   HD22  LEU  23          HD22      LEU  23  -4.928  -4.690  -0.459
  174   HD23  LEU  23          HD23      LEU  23  -6.305  -5.252   0.487
  175    H    ALA  24           HN       ALA  24  -6.412   0.486   1.006
  176    HA   ALA  24           HA       ALA  24  -8.788  -0.357   2.242
  177    HB1  ALA  24           HB1      ALA  24  -6.898   0.676   3.439
  178    HB2  ALA  24           HB2      ALA  24  -8.433   1.465   3.798
  179    HB3  ALA  24           HB3      ALA  24  -7.291   2.223   2.689
  180    H    SER  25           HN       SER  25  -8.055   2.481   0.255
  181    HA   SER  25           HA       SER  25 -10.520   3.786   0.522
  182    HB2  SER  25           HB2      SER  25  -8.593   3.815  -1.815
  183    HB3  SER  25           HB1      SER  25  -9.902   4.970  -1.562
  184    HG   SER  25           HG       SER  25  -7.507   5.244  -0.703
  185    H    MET  26           HN       MET  26  -9.461   1.233  -1.660
  186    HA   MET  26           HA       MET  26 -11.753   1.299  -3.333
  187    HB2  MET  26           HB2      MET  26  -9.793  -0.941  -2.808
  188    HB3  MET  26           HB1      MET  26 -10.994  -0.934  -4.092
  189    HG2  MET  26           HG2      MET  26  -9.901   1.178  -4.933
  190    HG3  MET  26           HG1      MET  26  -8.598   0.849  -3.792
  191    HE1  MET  26           HE1      MET  26  -8.532  -2.337  -3.863
  192    HE2  MET  26           HE2      MET  26  -7.061  -1.365  -3.910
  193    HE3  MET  26           HE3      MET  26  -7.313  -2.642  -5.100
  194    H    ILE  27           HN       ILE  27 -10.919  -0.470  -0.402
  195    HA   ILE  27           HA       ILE  27 -13.144  -2.220  -0.417
  196    HB   ILE  27           HB       ILE  27 -11.482  -1.243   1.911
  197   HG12  ILE  27          HG12      ILE  27 -11.344  -3.836   0.356
  198   HG13  ILE  27          HG11      ILE  27 -10.251  -2.476   0.128
  199   HG21  ILE  27          HG21      ILE  27 -13.617  -2.062   2.701
  200   HG22  ILE  27          HG22      ILE  27 -12.352  -3.227   3.093
  201   HG23  ILE  27          HG23      ILE  27 -13.441  -3.530   1.740
  202   HD11  ILE  27          HD11      ILE  27  -9.247  -4.212   1.501
  203   HD12  ILE  27          HD12      ILE  27 -10.570  -4.071   2.659
  204   HD13  ILE  27          HD13      ILE  27  -9.461  -2.720   2.417
  205    H    VAL  28           HN       VAL  28 -12.587   0.953   1.054
  206    HA   VAL  28           HA       VAL  28 -15.048   1.090   2.443
  207    HB   VAL  28           HB       VAL  28 -13.291   3.345   1.457
  208   HG11  VAL  28          HG11      VAL  28 -15.488   3.343   3.524
  209   HG12  VAL  28          HG12      VAL  28 -15.535   4.136   1.950
  210   HG13  VAL  28          HG13      VAL  28 -14.404   4.691   3.184
  211   HG21  VAL  28          HG21      VAL  28 -12.124   1.803   2.949
  212   HG22  VAL  28          HG22      VAL  28 -13.413   1.971   4.140
  213   HG23  VAL  28          HG23      VAL  28 -12.401   3.357   3.734
  214    H    ASN  29           HN       ASN  29 -14.035   2.208  -0.763
  215    HA   ASN  29           HA       ASN  29 -16.360   3.595  -1.460
  216    HB2  ASN  29           HB2      ASN  29 -14.294   2.150  -3.113
  217    HB3  ASN  29           HB1      ASN  29 -15.642   3.012  -3.851
  218   HD21  ASN  29          HD21      ASN  29 -12.779   3.515  -4.032
  219   HD22  ASN  29          HD22      ASN  29 -12.538   5.133  -3.476
  220    H    TRP  30           HN       TRP  30 -15.542   0.180  -1.720
  221    HA   TRP  30           HA       TRP  30 -17.862  -0.585  -3.167
  222    HB2  TRP  30           HB2      TRP  30 -16.131  -2.121  -3.348
  223    HB3  TRP  30           HB1      TRP  30 -15.729  -2.025  -1.638
  224    HD1  TRP  30           HD1      TRP  30 -18.800  -3.284  -3.683
  225    HE1  TRP  30           HE1      TRP  30 -19.588  -5.491  -2.617
  226    HE3  TRP  30           HE3      TRP  30 -15.432  -3.581   0.148
  227    HZ2  TRP  30           HZ2      TRP  30 -18.875  -7.139  -0.437
  228    HZ3  TRP  30           HZ3      TRP  30 -15.552  -5.498   1.683
  229    HH2  TRP  30           HH2      TRP  30 -17.240  -7.242   1.394
  230    H    LEU  31           HN       LEU  31 -17.013  -0.725   0.284
  231    HA   LEU  31           HA       LEU  31 -19.411  -1.913   1.147
  232    HB2  LEU  31           HB2      LEU  31 -17.281  -0.314   2.506
  233    HB3  LEU  31           HB1      LEU  31 -18.741  -0.747   3.373
  234    HG   LEU  31           HG       LEU  31 -16.956  -2.775   2.038
  235   HD11  LEU  31          HD11      LEU  31 -16.080  -3.240   4.278
  236   HD12  LEU  31          HD12      LEU  31 -16.987  -1.867   4.911
  237   HD13  LEU  31          HD13      LEU  31 -15.688  -1.604   3.749
  238   HD21  LEU  31          HD21      LEU  31 -19.088  -3.055   4.154
  239   HD22  LEU  31          HD22      LEU  31 -18.138  -4.361   3.444
  240   HD23  LEU  31          HD23      LEU  31 -19.281  -3.460   2.449
  241    H    ASN  32           HN       ASN  32 -18.554   1.409   0.476
  242    HA   ASN  32           HA       ASN  32 -20.777   2.600   1.787
  243    HB2  ASN  32           HB2      ASN  32 -18.862   3.555  -0.331
  244    HB3  ASN  32           HB1      ASN  32 -20.218   4.548   0.192
  245   HD21  ASN  32          HD21      ASN  32 -18.573   2.400   2.377
  246   HD22  ASN  32          HD22      ASN  32 -17.793   3.625   3.311
  247    H    LYS  33           HN       LYS  33 -20.494   0.768  -1.027
  248    HA   LYS  33           HA       LYS  33 -22.820   1.949  -2.323
  249    HB2  LYS  33           HB2      LYS  33 -20.949   1.292  -3.741
  250    HB3  LYS  33           HB1      LYS  33 -21.030  -0.353  -3.129
  251    HG2  LYS  33           HG2      LYS  33 -23.494   0.711  -4.355
  252    HG3  LYS  33           HG1      LYS  33 -22.132   0.418  -5.438
  253    HD2  LYS  33           HD2      LYS  33 -21.985  -1.886  -4.631
  254    HD3  LYS  33           HD1      LYS  33 -23.336  -1.593  -3.535
  255    HE2  LYS  33           HE2      LYS  33 -23.441  -1.412  -6.544
  256    HE3  LYS  33           HE1      LYS  33 -24.042  -2.758  -5.577
  257    HZ1  LYS  33           HZ1      LYS  33 -25.039   0.038  -5.468
  258    HZ2  LYS  33           HZ2      LYS  33 -25.611  -1.243  -4.524
  259    HZ3  LYS  33           HZ3      LYS  33 -25.828  -1.267  -6.201
  260    H    ARG  34           HN       ARG  34 -21.838  -1.009  -0.677
  261    HA   ARG  34           HA       ARG  34 -24.501  -2.153  -0.958
  262    HB2  ARG  34           HB2      ARG  34 -23.540  -4.126   0.142
  263    HB3  ARG  34           HB1      ARG  34 -22.580  -3.632  -1.245
  264    HG2  ARG  34           HG2      ARG  34 -20.908  -2.670   0.168
  265    HG3  ARG  34           HG1      ARG  34 -21.912  -2.912   1.600
  266    HD2  ARG  34           HD2      ARG  34 -20.803  -5.104  -0.152
  267    HD3  ARG  34           HD1      ARG  34 -20.134  -4.603   1.400
  268    HE   ARG  34           HE       ARG  34 -22.907  -5.370   1.505
  269   HH11  ARG  34          HH11      ARG  34 -19.607  -6.472   1.698
  270   HH12  ARG  34          HH12      ARG  34 -19.998  -7.889   2.614
  271   HH21  ARG  34          HH21      ARG  34 -23.431  -7.232   2.711
  272   HH22  ARG  34          HH22      ARG  34 -22.172  -8.322   3.190
  273    H    LYS  35           HN       LYS  35 -23.816   0.274   0.721
  274    HA   LYS  35           HA       LYS  35 -23.933  -0.288   3.441
  275    HB2  LYS  35           HB2      LYS  35 -25.011   2.006   3.614
  276    HB3  LYS  35           HB1      LYS  35 -23.453   1.936   2.804
  277    HG2  LYS  35           HG2      LYS  35 -24.646   1.930   0.628
  278    HG3  LYS  35           HG1      LYS  35 -26.160   2.155   1.505
  279    HD2  LYS  35           HD2      LYS  35 -23.795   4.024   1.637
  280    HD3  LYS  35           HD1      LYS  35 -25.218   4.269   0.622
  281    HE2  LYS  35           HE2      LYS  35 -26.628   4.302   2.634
  282    HE3  LYS  35           HE1      LYS  35 -25.192   4.088   3.635
  283    HZ1  LYS  35           HZ1      LYS  35 -24.343   6.194   2.774
  284    HZ2  LYS  35           HZ2      LYS  35 -25.832   6.401   3.549
  285    HZ3  LYS  35           HZ3      LYS  35 -25.753   6.403   1.860
  Start of MODEL   15
    1    H1   MET   1           HT1      MET   1  28.253  -0.341  -3.310
    2    H2   MET   1           HT2      MET   1  27.804  -1.328  -4.608
    3    H3   MET   1           HT3      MET   1  27.953  -1.987  -3.057
    4    HA   MET   1           HA       MET   1  25.967   0.055  -3.861
    5    HB2  MET   1           HB2      MET   1  25.613  -2.211  -4.850
    6    HB3  MET   1           HB1      MET   1  25.534  -2.860  -3.218
    7    HG2  MET   1           HG2      MET   1  23.597  -1.412  -2.763
    8    HG3  MET   1           HG1      MET   1  23.659  -0.843  -4.431
    9    HE1  MET   1           HE1      MET   1  22.925  -5.264  -3.360
   10    HE2  MET   1           HE2      MET   1  23.134  -4.021  -2.126
   11    HE3  MET   1           HE3      MET   1  24.471  -4.427  -3.202
   12    H    THR   2           HN       THR   2  24.526   0.676  -2.259
   13    HA   THR   2           HA       THR   2  25.430   0.102   0.483
   14    HB   THR   2           HB       THR   2  23.922   2.330   0.780
   15    HG1  THR   2           HG1      THR   2  24.792   3.678  -1.066
   16   HG21  THR   2          HG21      THR   2  26.182   2.032   1.641
   17   HG22  THR   2          HG22      THR   2  26.046   3.585   0.815
   18   HG23  THR   2          HG23      THR   2  26.846   2.230   0.019
   19    H    PHE   3           HN       PHE   3  24.115  -1.035   1.717
   20    HA   PHE   3           HA       PHE   3  21.573  -1.918   0.882
   21    HB2  PHE   3           HB2      PHE   3  23.280  -2.880   2.653
   22    HB3  PHE   3           HB1      PHE   3  22.324  -1.920   3.777
   23    HD1  PHE   3           HD1      PHE   3  20.609  -2.998   4.845
   24    HD2  PHE   3           HD2      PHE   3  21.763  -4.297   0.962
   25    HE1  PHE   3           HE1      PHE   3  18.939  -4.803   4.957
   26    HE2  PHE   3           HE2      PHE   3  20.097  -6.104   1.065
   27    HZ   PHE   3           HZ       PHE   3  18.681  -6.359   3.065
   28    H    ALA   4           HN       ALA   4  22.619   0.742   2.910
   29    HA   ALA   4           HA       ALA   4  20.059   1.384   3.961
   30    HB1  ALA   4           HB1      ALA   4  22.148   2.117   5.021
   31    HB2  ALA   4           HB2      ALA   4  21.078   3.475   4.670
   32    HB3  ALA   4           HB3      ALA   4  22.475   3.163   3.639
   33    H    GLU   5           HN       GLU   5  21.929   2.555   1.188
   34    HA   GLU   5           HA       GLU   5  20.072   4.542   0.402
   35    HB2  GLU   5           HB2      GLU   5  22.200   3.086  -1.179
   36    HB3  GLU   5           HB1      GLU   5  21.285   4.462  -1.785
   37    HG2  GLU   5           HG2      GLU   5  23.138   4.453   0.585
   38    HG3  GLU   5           HG1      GLU   5  23.453   5.170  -0.994
   39    H    LEU   6           HN       LEU   6  20.394   1.120  -0.297
   40    HA   LEU   6           HA       LEU   6  18.273   1.192  -2.279
   41    HB2  LEU   6           HB2      LEU   6  20.324  -0.335  -2.366
   42    HB3  LEU   6           HB1      LEU   6  19.550  -1.261  -1.092
   43    HG   LEU   6           HG       LEU   6  17.870  -0.768  -3.464
   44   HD11  LEU   6          HD11      LEU   6  20.030  -1.122  -4.541
   45   HD12  LEU   6          HD12      LEU   6  18.959  -2.501  -4.792
   46   HD13  LEU   6          HD13      LEU   6  20.260  -2.600  -3.605
   47   HD21  LEU   6          HD21      LEU   6  18.539  -3.232  -1.858
   48   HD22  LEU   6          HD22      LEU   6  17.273  -3.098  -3.078
   49   HD23  LEU   6          HD23      LEU   6  17.161  -2.167  -1.585
   50    H    GLY   7           HN       GLY   7  18.576   0.951   1.070
   51    HA2  GLY   7           HA2      GLY   7  16.447  -0.821   1.671
   52    HA3  GLY   7           HA1      GLY   7  17.130   0.376   2.760
   53    H    MET   8           HN       MET   8  16.572   2.735   1.530
   54    HA   MET   8           HA       MET   8  13.834   3.090   2.157
   55    HB2  MET   8           HB2      MET   8  15.753   4.935   0.719
   56    HB3  MET   8           HB1      MET   8  14.176   5.405   1.342
   57    HG2  MET   8           HG2      MET   8  16.450   4.365   3.016
   58    HG3  MET   8           HG1      MET   8  16.042   6.066   2.806
   59    HE1  MET   8           HE1      MET   8  16.335   4.758   5.655
   60    HE2  MET   8           HE2      MET   8  14.914   5.387   6.489
   61    HE3  MET   8           HE3      MET   8  15.849   6.438   5.425
   62    H    ALA   9           HN       ALA   9  15.592   3.022  -0.928
   63    HA   ALA   9           HA       ALA   9  13.411   3.606  -2.593
   64    HB1  ALA   9           HB1      ALA   9  14.758   2.683  -4.399
   65    HB2  ALA   9           HB2      ALA   9  15.843   1.937  -3.225
   66    HB3  ALA   9           HB3      ALA   9  15.741   3.694  -3.340
   67    H    PHE  10           HN       PHE  10  14.705   0.509  -1.465
   68    HA   PHE  10           HA       PHE  10  12.867  -1.097  -2.914
   69    HB2  PHE  10           HB2      PHE  10  14.881  -2.142  -2.274
   70    HB3  PHE  10           HB1      PHE  10  14.727  -1.613  -0.605
   71    HD1  PHE  10           HD1      PHE  10  14.616  -3.446   0.737
   72    HD2  PHE  10           HD2      PHE  10  12.376  -3.422  -2.881
   73    HE1  PHE  10           HE1      PHE  10  13.611  -5.606   1.350
   74    HE2  PHE  10           HE2      PHE  10  11.370  -5.585  -2.278
   75    HZ   PHE  10           HZ       PHE  10  11.987  -6.680  -0.160
   76    H    TRP  11           HN       TRP  11  12.946   0.029   0.463
   77    HA   TRP  11           HA       TRP  11  10.626  -1.325   1.291
   78    HB2  TRP  11           HB2      TRP  11  12.253   0.927   2.338
   79    HB3  TRP  11           HB1      TRP  11  10.618   0.762   2.967
   80    HD1  TRP  11           HD1      TRP  11  14.042  -0.457   3.555
   81    HE1  TRP  11           HE1      TRP  11  14.034  -2.461   5.168
   82    HE3  TRP  11           HE3      TRP  11   9.048  -1.549   3.469
   83    HZ2  TRP  11           HZ2      TRP  11  12.160  -4.267   6.260
   84    HZ3  TRP  11           HZ3      TRP  11   8.230  -3.431   4.826
   85    HH2  TRP  11           HH2      TRP  11   9.756  -4.762   6.191
   86    H    HIS  12           HN       HIS  12  11.101   1.880  -0.114
   87    HA   HIS  12           HA       HIS  12   8.406   2.719   0.162
   88    HB2  HIS  12           HB2      HIS  12  10.662   3.650  -1.611
   89    HB3  HIS  12           HB1      HIS  12   9.065   4.390  -1.653
   90    HD1  HIS  12           HD1      HIS  12  10.674   3.329   1.589
   91    HD2  HIS  12           HD2      HIS  12   9.890   6.783  -0.582
   92    HE1  HIS  12           HE1      HIS  12  11.175   5.268   3.134
   93    H    ASP  13           HN       ASP  13  10.198   1.097  -2.409
   94    HA   ASP  13           HA       ASP  13   8.149   1.194  -4.351
   95    HB2  ASP  13           HB2      ASP  13  10.454   0.755  -4.984
   96    HB3  ASP  13           HB1      ASP  13  10.461  -0.730  -4.038
   97    H    LEU  14           HN       LEU  14   9.034  -1.255  -1.935
   98    HA   LEU  14           HA       LEU  14   7.000  -3.078  -2.763
   99    HB2  LEU  14           HB2      LEU  14   7.659  -4.460  -0.998
  100    HB3  LEU  14           HB1      LEU  14   9.126  -3.686  -1.548
  101    HG   LEU  14           HG       LEU  14   8.582  -2.001   0.414
  102   HD11  LEU  14          HD11      LEU  14   7.482  -2.984   2.269
  103   HD12  LEU  14          HD12      LEU  14   7.380  -4.550   1.463
  104   HD13  LEU  14          HD13      LEU  14   6.416  -3.195   0.879
  105   HD21  LEU  14          HD21      LEU  14   9.778  -4.751   0.731
  106   HD22  LEU  14          HD22      LEU  14   9.964  -3.439   1.894
  107   HD23  LEU  14          HD23      LEU  14  10.619  -3.272   0.266
  108    H    ALA  15           HN       ALA  15   7.181  -0.436  -0.521
  109    HA   ALA  15           HA       ALA  15   4.838  -1.065   0.959
  110    HB1  ALA  15           HB1      ALA  15   6.587   0.430   1.813
  111    HB2  ALA  15           HB2      ALA  15   4.995   1.192   1.832
  112    HB3  ALA  15           HB3      ALA  15   6.162   1.616   0.578
  113    H    ALA  16           HN       ALA  16   5.444   0.759  -1.986
  114    HA   ALA  16           HA       ALA  16   3.159   2.236  -2.256
  115    HB1  ALA  16           HB1      ALA  16   3.512   2.239  -4.609
  116    HB2  ALA  16           HB2      ALA  16   4.407   0.722  -4.540
  117    HB3  ALA  16           HB3      ALA  16   5.096   2.183  -3.835
  118    HA   PRO  17           HA       PRO  17   0.684  -1.471  -4.106
  119    HB2  PRO  17           HB2      PRO  17   1.682  -3.980  -3.793
  120    HB3  PRO  17           HB1      PRO  17   2.071  -2.967  -5.197
  121    HG2  PRO  17           HG2      PRO  17   3.679  -3.476  -2.741
  122    HG3  PRO  17           HG1      PRO  17   4.197  -3.410  -4.438
  123    HD2  PRO  17           HD2      PRO  17   4.546  -1.340  -2.736
  124    HD3  PRO  17           HD1      PRO  17   4.263  -1.117  -4.472
  125    H    VAL  18           HN       VAL  18   2.496  -1.855  -1.146
  126    HA   VAL  18           HA       VAL  18   0.664  -3.575   0.191
  127    HB   VAL  18           HB       VAL  18   2.771  -1.706   1.289
  128   HG11  VAL  18          HG11      VAL  18   1.209  -3.871   2.694
  129   HG12  VAL  18          HG12      VAL  18   1.090  -2.136   2.989
  130   HG13  VAL  18          HG13      VAL  18   2.581  -2.994   3.372
  131   HG21  VAL  18          HG21      VAL  18   4.208  -3.567   1.386
  132   HG22  VAL  18          HG22      VAL  18   3.445  -3.663  -0.201
  133   HG23  VAL  18          HG23      VAL  18   2.889  -4.704   1.109
  134    H    ILE  19           HN       ILE  19   1.217  -0.076   0.285
  135    HA   ILE  19           HA       ILE  19  -0.871   0.483   2.126
  136    HB   ILE  19           HB       ILE  19   0.422   2.360   0.143
  137   HG12  ILE  19          HG12      ILE  19   1.203   2.047   3.031
  138   HG13  ILE  19          HG11      ILE  19   1.930   1.040   1.783
  139   HG21  ILE  19          HG21      ILE  19  -1.621   3.255   1.094
  140   HG22  ILE  19          HG22      ILE  19  -0.223   4.101   1.758
  141   HG23  ILE  19          HG23      ILE  19  -1.054   2.879   2.721
  142   HD11  ILE  19          HD11      ILE  19   3.293   2.998   2.347
  143   HD12  ILE  19          HD12      ILE  19   1.979   4.048   1.818
  144   HD13  ILE  19          HD13      ILE  19   2.787   2.992   0.659
  145    H    ALA  20           HN       ALA  20  -0.606   0.610  -1.403
  146    HA   ALA  20           HA       ALA  20  -3.180   1.692  -1.868
  147    HB1  ALA  20           HB1      ALA  20  -2.842   1.023  -4.185
  148    HB2  ALA  20           HB2      ALA  20  -1.471   0.021  -3.709
  149    HB3  ALA  20           HB3      ALA  20  -1.385   1.773  -3.533
  150    H    GLY  21           HN       GLY  21  -1.976  -1.586  -1.478
  151    HA2  GLY  21           HA2      GLY  21  -4.282  -2.936  -2.419
  152    HA3  GLY  21           HA1      GLY  21  -3.053  -3.613  -1.361
  153    H    ILE  22           HN       ILE  22  -3.270  -1.984   0.852
  154    HA   ILE  22           HA       ILE  22  -5.526  -3.104   2.158
  155    HB   ILE  22           HB       ILE  22  -3.700  -0.881   3.086
  156   HG12  ILE  22          HG12      ILE  22  -3.619  -3.825   3.772
  157   HG13  ILE  22          HG11      ILE  22  -2.609  -3.083   2.537
  158   HG21  ILE  22          HG21      ILE  22  -5.781  -0.883   4.328
  159   HG22  ILE  22          HG22      ILE  22  -4.472  -1.488   5.344
  160   HG23  ILE  22          HG23      ILE  22  -5.627  -2.614   4.630
  161   HD11  ILE  22          HD11      ILE  22  -1.582  -1.660   4.222
  162   HD12  ILE  22          HD12      ILE  22  -1.405  -3.367   4.629
  163   HD13  ILE  22          HD13      ILE  22  -2.607  -2.382   5.462
  164    H    LEU  23           HN       LEU  23  -4.774   0.146   0.970
  165    HA   LEU  23           HA       LEU  23  -7.076   1.418   1.981
  166    HB2  LEU  23           HB2      LEU  23  -5.217   2.747   1.273
  167    HB3  LEU  23           HB1      LEU  23  -5.270   2.069  -0.342
  168    HG   LEU  23           HG       LEU  23  -7.400   3.209  -0.763
  169   HD11  LEU  23          HD11      LEU  23  -8.238   4.871   0.835
  170   HD12  LEU  23          HD12      LEU  23  -7.019   4.355   2.000
  171   HD13  LEU  23          HD13      LEU  23  -8.288   3.238   1.498
  172   HD21  LEU  23          HD21      LEU  23  -5.223   5.022   0.271
  173   HD22  LEU  23          HD22      LEU  23  -6.534   5.504  -0.806
  174   HD23  LEU  23          HD23      LEU  23  -5.329   4.337  -1.350
  175    H    ALA  24           HN       ALA  24  -6.424  -0.305  -1.013
  176    HA   ALA  24           HA       ALA  24  -8.803   0.377  -2.365
  177    HB1  ALA  24           HB1      ALA  24  -8.303  -1.540  -3.806
  178    HB2  ALA  24           HB2      ALA  24  -7.077  -2.079  -2.658
  179    HB3  ALA  24           HB3      ALA  24  -6.870  -0.554  -3.518
  180    H    SER  25           HN       SER  25  -7.980  -2.232  -0.144
  181    HA   SER  25           HA       SER  25 -10.338  -3.740  -0.445
  182    HB2  SER  25           HB2      SER  25  -8.495  -3.504   1.945
  183    HB3  SER  25           HB1      SER  25  -9.720  -4.753   1.729
  184    HG   SER  25           HG       SER  25  -8.170  -5.782   0.753
  185    H    MET  26           HN       MET  26  -9.509  -1.050   1.692
  186    HA   MET  26           HA       MET  26 -11.863  -1.167   3.263
  187    HB2  MET  26           HB2      MET  26 -10.036   1.177   2.710
  188    HB3  MET  26           HB1      MET  26 -11.251   1.113   3.979
  189    HG2  MET  26           HG2      MET  26 -10.027  -0.869   4.910
  190    HG3  MET  26           HG1      MET  26  -8.747  -0.531   3.749
  191    HE1  MET  26           HE1      MET  26  -7.330   1.766   3.748
  192    HE2  MET  26           HE2      MET  26  -7.631   3.077   4.887
  193    HE3  MET  26           HE3      MET  26  -8.847   2.663   3.679
  194    H    ILE  27           HN       ILE  27 -10.997   0.647   0.351
  195    HA   ILE  27           HA       ILE  27 -13.327   2.224   0.218
  196    HB   ILE  27           HB       ILE  27 -11.491   1.301  -1.996
  197   HG12  ILE  27          HG12      ILE  27 -11.639   3.936  -0.514
  198   HG13  ILE  27          HG11      ILE  27 -10.452   2.674  -0.204
  199   HG21  ILE  27          HG21      ILE  27 -13.612   3.446  -2.026
  200   HG22  ILE  27          HG22      ILE  27 -13.640   1.928  -2.926
  201   HG23  ILE  27          HG23      ILE  27 -12.434   3.157  -3.306
  202   HD11  ILE  27          HD11      ILE  27 -10.774   4.215  -2.768
  203   HD12  ILE  27          HD12      ILE  27  -9.593   2.937  -2.478
  204   HD13  ILE  27          HD13      ILE  27  -9.507   4.440  -1.561
  205    H    VAL  28           HN       VAL  28 -12.537  -0.948  -1.147
  206    HA   VAL  28           HA       VAL  28 -14.939  -1.241  -2.620
  207    HB   VAL  28           HB       VAL  28 -13.030  -3.338  -1.573
  208   HG11  VAL  28          HG11      VAL  28 -15.269  -3.600  -3.579
  209   HG12  VAL  28          HG12      VAL  28 -15.204  -4.340  -1.980
  210   HG13  VAL  28          HG13      VAL  28 -14.063  -4.838  -3.229
  211   HG21  VAL  28          HG21      VAL  28 -13.326  -2.157  -4.334
  212   HG22  VAL  28          HG22      VAL  28 -12.138  -3.356  -3.822
  213   HG23  VAL  28          HG23      VAL  28 -12.074  -1.719  -3.172
  214    H    ASN  29           HN       ASN  29 -13.969  -2.215   0.641
  215    HA   ASN  29           HA       ASN  29 -16.272  -3.718   1.253
  216    HB2  ASN  29           HB2      ASN  29 -14.297  -2.254   3.005
  217    HB3  ASN  29           HB1      ASN  29 -15.606  -3.235   3.655
  218   HD21  ASN  29          HD21      ASN  29 -12.731  -3.576   3.904
  219   HD22  ASN  29          HD22      ASN  29 -12.376  -5.145   3.275
  220    H    TRP  30           HN       TRP  30 -15.491  -0.299   1.697
  221    HA   TRP  30           HA       TRP  30 -17.839   0.384   3.112
  222    HB2  TRP  30           HB2      TRP  30 -16.115   1.938   3.325
  223    HB3  TRP  30           HB1      TRP  30 -15.760   1.930   1.602
  224    HD1  TRP  30           HD1      TRP  30 -18.845   2.960   3.749
  225    HE1  TRP  30           HE1      TRP  30 -19.729   5.192   2.821
  226    HE3  TRP  30           HE3      TRP  30 -15.511   3.625  -0.066
  227    HZ2  TRP  30           HZ2      TRP  30 -19.096   6.997   0.742
  228    HZ3  TRP  30           HZ3      TRP  30 -15.717   5.627  -1.480
  229    HH2  TRP  30           HH2      TRP  30 -17.475   7.280  -1.083
  230    H    LEU  31           HN       LEU  31 -16.986   0.722  -0.330
  231    HA   LEU  31           HA       LEU  31 -19.437   1.839  -1.130
  232    HB2  LEU  31           HB2      LEU  31 -17.215   0.448  -2.559
  233    HB3  LEU  31           HB1      LEU  31 -18.699   0.826  -3.417
  234    HG   LEU  31           HG       LEU  31 -17.107   2.911  -1.941
  235   HD11  LEU  31          HD11      LEU  31 -16.941   2.134  -4.847
  236   HD12  LEU  31          HD12      LEU  31 -15.674   1.933  -3.637
  237   HD13  LEU  31          HD13      LEU  31 -16.185   3.551  -4.118
  238   HD21  LEU  31          HD21      LEU  31 -19.206   3.081  -4.099
  239   HD22  LEU  31          HD22      LEU  31 -18.349   4.448  -3.387
  240   HD23  LEU  31          HD23      LEU  31 -19.432   3.472  -2.394
  241    H    ASN  32           HN       ASN  32 -18.345  -1.520  -0.946
  242    HA   ASN  32           HA       ASN  32 -20.640  -2.637  -2.180
  243    HB2  ASN  32           HB2      ASN  32 -18.573  -3.820  -0.321
  244    HB3  ASN  32           HB1      ASN  32 -19.868  -4.766  -1.047
  245   HD21  ASN  32          HD21      ASN  32 -18.346  -6.052  -2.120
  246   HD22  ASN  32          HD22      ASN  32 -17.505  -5.483  -3.519
  247    H    LYS  33           HN       LYS  33 -20.128  -1.214   0.841
  248    HA   LYS  33           HA       LYS  33 -22.241  -2.668   2.206
  249    HB2  LYS  33           HB2      LYS  33 -20.220  -1.972   3.439
  250    HB3  LYS  33           HB1      LYS  33 -20.596  -0.290   3.100
  251    HG2  LYS  33           HG2      LYS  33 -22.662  -1.914   4.476
  252    HG3  LYS  33           HG1      LYS  33 -21.228  -1.449   5.392
  253    HD2  LYS  33           HD2      LYS  33 -22.750   0.595   3.817
  254    HD3  LYS  33           HD1      LYS  33 -23.313   0.098   5.413
  255    HE2  LYS  33           HE2      LYS  33 -21.947   2.067   5.636
  256    HE3  LYS  33           HE1      LYS  33 -21.096   0.691   6.336
  257    HZ1  LYS  33           HZ1      LYS  33 -19.642   2.091   4.988
  258    HZ2  LYS  33           HZ2      LYS  33 -20.604   1.806   3.627
  259    HZ3  LYS  33           HZ3      LYS  33 -19.759   0.530   4.346
  260    H    ARG  34           HN       ARG  34 -21.684   0.438   0.673
  261    HA   ARG  34           HA       ARG  34 -24.351   1.368   1.407
  262    HB2  ARG  34           HB2      ARG  34 -23.681   3.492   0.384
  263    HB3  ARG  34           HB1      ARG  34 -22.513   2.967   1.587
  264    HG2  ARG  34           HG2      ARG  34 -20.975   2.271  -0.106
  265    HG3  ARG  34           HG1      ARG  34 -22.177   2.534  -1.372
  266    HD2  ARG  34           HD2      ARG  34 -20.988   4.663   0.403
  267    HD3  ARG  34           HD1      ARG  34 -20.542   4.357  -1.275
  268    HE   ARG  34           HE       ARG  34 -23.342   4.861  -0.941
  269   HH11  ARG  34          HH11      ARG  34 -20.216   6.363  -1.289
  270   HH12  ARG  34          HH12      ARG  34 -20.854   7.834  -1.943
  271   HH21  ARG  34          HH21      ARG  34 -24.188   6.794  -1.801
  272   HH22  ARG  34          HH22      ARG  34 -23.111   8.079  -2.234
  273    H    LYS  35           HN       LYS  35 -23.013  -0.498  -0.957
  274    HA   LYS  35           HA       LYS  35 -23.663  -1.213  -3.012
  275    HB2  LYS  35           HB2      LYS  35 -26.264  -0.133  -1.946
  276    HB3  LYS  35           HB1      LYS  35 -26.154  -0.891  -3.528
  277    HG2  LYS  35           HG2      LYS  35 -26.902  -2.544  -2.012
  278    HG3  LYS  35           HG1      LYS  35 -25.221  -2.919  -2.392
  279    HD2  LYS  35           HD2      LYS  35 -24.489  -1.974  -0.298
  280    HD3  LYS  35           HD1      LYS  35 -26.126  -1.421   0.066
  281    HE2  LYS  35           HE2      LYS  35 -25.611  -3.450   1.304
  282    HE3  LYS  35           HE1      LYS  35 -26.892  -3.746   0.128
  283    HZ1  LYS  35           HZ1      LYS  35 -25.159  -4.649  -1.373
  284    HZ2  LYS  35           HZ2      LYS  35 -25.357  -5.548   0.046
  285    HZ3  LYS  35           HZ3      LYS  35 -24.034  -4.507  -0.117
  Start of MODEL   16
    1    H1   MET   1           HT1      MET   1 -26.857  -1.685   3.627
    2    H2   MET   1           HT2      MET   1 -27.981  -0.432   3.462
    3    H3   MET   1           HT3      MET   1 -27.194  -0.671   4.939
    4    HA   MET   1           HA       MET   1 -26.264   1.212   3.772
    5    HB2  MET   1           HB2      MET   1 -23.913   0.518   3.845
    6    HB3  MET   1           HB1      MET   1 -24.806  -0.113   5.221
    7    HG2  MET   1           HG2      MET   1 -25.001  -2.280   4.048
    8    HG3  MET   1           HG1      MET   1 -23.999  -1.629   2.751
    9    HE1  MET   1           HE1      MET   1 -24.126  -2.677   6.540
   10    HE2  MET   1           HE2      MET   1 -23.664  -0.977   6.616
   11    HE3  MET   1           HE3      MET   1 -22.509  -2.226   7.081
   12    H    THR   2           HN       THR   2 -24.473   1.646   2.051
   13    HA   THR   2           HA       THR   2 -25.485   0.567  -0.490
   14    HB   THR   2           HB       THR   2 -23.785   2.779  -0.977
   15    HG1  THR   2           HG1      THR   2 -25.768   3.354   0.991
   16   HG21  THR   2          HG21      THR   2 -26.800   2.571  -1.020
   17   HG22  THR   2          HG22      THR   2 -25.714   2.106  -2.330
   18   HG23  THR   2          HG23      THR   2 -25.837   3.797  -1.845
   19    H    PHE   3           HN       PHE   3 -24.212  -0.552  -1.815
   20    HA   PHE   3           HA       PHE   3 -21.716  -1.524  -0.948
   21    HB2  PHE   3           HB2      PHE   3 -23.435  -2.511  -2.653
   22    HB3  PHE   3           HB1      PHE   3 -22.521  -1.578  -3.836
   23    HD1  PHE   3           HD1      PHE   3 -21.930  -3.929  -1.017
   24    HD2  PHE   3           HD2      PHE   3 -20.771  -2.625  -4.895
   25    HE1  PHE   3           HE1      PHE   3 -20.256  -5.728  -1.115
   26    HE2  PHE   3           HE2      PHE   3 -19.094  -4.423  -5.005
   27    HZ   PHE   3           HZ       PHE   3 -18.835  -5.979  -3.112
   28    H    ALA   4           HN       ALA   4 -22.632   1.133  -3.043
   29    HA   ALA   4           HA       ALA   4 -20.055   1.627  -4.124
   30    HB1  ALA   4           HB1      ALA   4 -22.382   3.518  -3.785
   31    HB2  ALA   4           HB2      ALA   4 -22.082   2.481  -5.181
   32    HB3  ALA   4           HB3      ALA   4 -20.966   3.793  -4.801
   33    H    GLU   5           HN       GLU   5 -21.797   2.861  -1.306
   34    HA   GLU   5           HA       GLU   5 -19.850   4.774  -0.556
   35    HB2  GLU   5           HB2      GLU   5 -21.974   3.364   1.067
   36    HB3  GLU   5           HB1      GLU   5 -20.987   4.686   1.677
   37    HG2  GLU   5           HG2      GLU   5 -22.867   4.837  -0.670
   38    HG3  GLU   5           HG1      GLU   5 -23.188   5.447   0.953
   39    H    LEU   6           HN       LEU   6 -20.356   1.379   0.273
   40    HA   LEU   6           HA       LEU   6 -18.139   1.344   2.123
   41    HB2  LEU   6           HB2      LEU   6 -20.227  -0.101   2.288
   42    HB3  LEU   6           HB1      LEU   6 -19.570  -1.034   0.954
   43    HG   LEU   6           HG       LEU   6 -17.735  -0.683   3.229
   44   HD11  LEU   6          HD11      LEU   6 -18.852  -2.402   4.578
   45   HD12  LEU   6          HD12      LEU   6 -20.238  -2.341   3.490
   46   HD13  LEU   6          HD13      LEU   6 -19.813  -0.928   4.455
   47   HD21  LEU   6          HD21      LEU   6 -17.300  -3.037   2.773
   48   HD22  LEU   6          HD22      LEU   6 -17.228  -2.089   1.288
   49   HD23  LEU   6          HD23      LEU   6 -18.646  -3.077   1.635
   50    H    GLY   7           HN       GLY   7 -18.527   1.143  -1.223
   51    HA2  GLY   7           HA2      GLY   7 -16.483  -0.717  -1.869
   52    HA3  GLY   7           HA1      GLY   7 -17.145   0.501  -2.946
   53    H    MET   8           HN       MET   8 -16.480   2.820  -1.588
   54    HA   MET   8           HA       MET   8 -13.732   3.070  -2.313
   55    HB2  MET   8           HB2      MET   8 -15.617   4.998  -0.946
   56    HB3  MET   8           HB1      MET   8 -14.001   5.414  -1.500
   57    HG2  MET   8           HG2      MET   8 -16.226   4.425  -3.268
   58    HG3  MET   8           HG1      MET   8 -15.775   6.116  -3.056
   59    HE1  MET   8           HE1      MET   8 -15.512   6.416  -5.642
   60    HE2  MET   8           HE2      MET   8 -15.929   4.729  -5.946
   61    HE3  MET   8           HE3      MET   8 -14.474   5.421  -6.664
   62    H    ALA   9           HN       ALA   9 -15.486   3.003   0.761
   63    HA   ALA   9           HA       ALA   9 -13.265   3.562   2.413
   64    HB1  ALA   9           HB1      ALA   9 -15.871   2.158   2.972
   65    HB2  ALA   9           HB2      ALA   9 -15.450   3.837   3.318
   66    HB3  ALA   9           HB3      ALA   9 -14.677   2.530   4.216
   67    H    PHE  10           HN       PHE  10 -14.706   0.534   1.287
   68    HA   PHE  10           HA       PHE  10 -12.959  -1.167   2.738
   69    HB2  PHE  10           HB2      PHE  10 -15.015  -2.113   2.068
   70    HB3  PHE  10           HB1      PHE  10 -14.813  -1.584   0.403
   71    HD1  PHE  10           HD1      PHE  10 -14.727  -3.395  -0.971
   72    HD2  PHE  10           HD2      PHE  10 -12.628  -3.533   2.727
   73    HE1  PHE  10           HE1      PHE  10 -13.817  -5.601  -1.575
   74    HE2  PHE  10           HE2      PHE  10 -11.716  -5.740   2.133
   75    HZ   PHE  10           HZ       PHE  10 -12.310  -6.778  -0.021
   76    H    TRP  11           HN       TRP  11 -12.949   0.003  -0.628
   77    HA   TRP  11           HA       TRP  11 -10.675  -1.450  -1.433
   78    HB2  TRP  11           HB2      TRP  11 -12.238   0.806  -2.510
   79    HB3  TRP  11           HB1      TRP  11 -10.563   0.731  -3.045
   80    HD1  TRP  11           HD1      TRP  11 -13.869  -0.529  -3.960
   81    HE1  TRP  11           HE1      TRP  11 -13.687  -2.502  -5.602
   82    HE3  TRP  11           HE3      TRP  11  -8.897  -1.593  -3.403
   83    HZ2  TRP  11           HZ2      TRP  11 -11.698  -4.275  -6.538
   84    HZ3  TRP  11           HZ3      TRP  11  -7.934  -3.443  -4.709
   85    HH2  TRP  11           HH2      TRP  11  -9.308  -4.756  -6.242
   86    H    HIS  12           HN       HIS  12 -11.014   1.802  -0.083
   87    HA   HIS  12           HA       HIS  12  -8.270   2.477  -0.284
   88    HB2  HIS  12           HB2      HIS  12 -10.529   3.559   1.395
   89    HB3  HIS  12           HB1      HIS  12  -8.895   4.210   1.489
   90    HD1  HIS  12           HD1      HIS  12 -10.475   3.189  -1.783
   91    HD2  HIS  12           HD2      HIS  12  -9.508   6.625   0.342
   92    HE1  HIS  12           HE1      HIS  12 -10.803   5.125  -3.377
   93    H    ASP  13           HN       ASP  13 -10.228   1.029   2.270
   94    HA   ASP  13           HA       ASP  13  -8.245   1.061   4.275
   95    HB2  ASP  13           HB2      ASP  13 -10.623   0.759   4.782
   96    HB3  ASP  13           HB1      ASP  13 -10.615  -0.789   3.943
   97    H    LEU  14           HN       LEU  14  -9.164  -1.396   1.881
   98    HA   LEU  14           HA       LEU  14  -7.257  -3.305   2.819
   99    HB2  LEU  14           HB2      LEU  14  -7.929  -4.687   1.068
  100    HB3  LEU  14           HB1      LEU  14  -9.374  -3.806   1.512
  101    HG   LEU  14           HG       LEU  14  -8.572  -2.219  -0.463
  102   HD11  LEU  14          HD11      LEU  14  -7.469  -3.340  -2.217
  103   HD12  LEU  14          HD12      LEU  14  -7.614  -4.902  -1.411
  104   HD13  LEU  14          HD13      LEU  14  -6.522  -3.677  -0.767
  105   HD21  LEU  14          HD21      LEU  14  -9.987  -4.856  -0.838
  106   HD22  LEU  14          HD22      LEU  14 -10.063  -3.481  -1.939
  107   HD23  LEU  14          HD23      LEU  14 -10.729  -3.345  -0.312
  108    H    ALA  15           HN       ALA  15  -7.229  -0.702   0.527
  109    HA   ALA  15           HA       ALA  15  -4.865  -1.465  -0.855
  110    HB1  ALA  15           HB1      ALA  15  -6.047   1.293  -0.594
  111    HB2  ALA  15           HB2      ALA  15  -6.555   0.086  -1.774
  112    HB3  ALA  15           HB3      ALA  15  -4.915   0.733  -1.826
  113    H    ALA  16           HN       ALA  16  -5.485   0.448   2.032
  114    HA   ALA  16           HA       ALA  16  -3.132   1.827   2.318
  115    HB1  ALA  16           HB1      ALA  16  -3.577   1.976   4.637
  116    HB2  ALA  16           HB2      ALA  16  -4.504   0.478   4.630
  117    HB3  ALA  16           HB3      ALA  16  -5.142   1.912   3.827
  118    HA   PRO  17           HA       PRO  17  -0.929  -1.931   4.385
  119    HB2  PRO  17           HB2      PRO  17  -2.062  -4.387   4.178
  120    HB3  PRO  17           HB1      PRO  17  -2.439  -3.276   5.509
  121    HG2  PRO  17           HG2      PRO  17  -3.997  -3.841   3.034
  122    HG3  PRO  17           HG1      PRO  17  -4.561  -3.638   4.704
  123    HD2  PRO  17           HD2      PRO  17  -4.723  -1.665   2.856
  124    HD3  PRO  17           HD1      PRO  17  -4.515  -1.352   4.588
  125    H    VAL  18           HN       VAL  18  -2.712  -2.428   1.410
  126    HA   VAL  18           HA       VAL  18  -0.923  -4.294   0.226
  127    HB   VAL  18           HB       VAL  18  -2.964  -2.431  -0.996
  128   HG11  VAL  18          HG11      VAL  18  -1.368  -4.618  -2.329
  129   HG12  VAL  18          HG12      VAL  18  -1.266  -2.889  -2.665
  130   HG13  VAL  18          HG13      VAL  18  -2.742  -3.775  -3.047
  131   HG21  VAL  18          HG21      VAL  18  -3.055  -5.425  -0.691
  132   HG22  VAL  18          HG22      VAL  18  -4.370  -4.341  -1.150
  133   HG23  VAL  18          HG23      VAL  18  -3.731  -4.308   0.493
  134    H    ILE  19           HN       ILE  19  -1.309  -0.786  -0.054
  135    HA   ILE  19           HA       ILE  19   0.836  -0.416  -1.877
  136    HB   ILE  19           HB       ILE  19  -0.445   1.592  -0.018
  137   HG12  ILE  19          HG12      ILE  19  -1.051   1.259  -2.945
  138   HG13  ILE  19          HG11      ILE  19  -1.897   0.297  -1.737
  139   HG21  ILE  19          HG21      ILE  19   0.385   3.251  -1.658
  140   HG22  ILE  19          HG22      ILE  19   1.255   1.958  -2.482
  141   HG23  ILE  19          HG23      ILE  19   1.680   2.392  -0.827
  142   HD11  ILE  19          HD11      ILE  19  -2.734   2.303  -0.684
  143   HD12  ILE  19          HD12      ILE  19  -3.151   2.289  -2.398
  144   HD13  ILE  19          HD13      ILE  19  -1.828   3.303  -1.820
  145    H    ALA  20           HN       ALA  20   0.515  -0.108   1.638
  146    HA   ALA  20           HA       ALA  20   3.055   0.932   2.185
  147    HB1  ALA  20           HB1      ALA  20   1.423  -0.902   3.937
  148    HB2  ALA  20           HB2      ALA  20   1.198   0.843   3.808
  149    HB3  ALA  20           HB3      ALA  20   2.703   0.194   4.459
  150    H    GLY  21           HN       GLY  21   1.961  -2.370   1.663
  151    HA2  GLY  21           HA2      GLY  21   4.311  -3.676   2.546
  152    HA3  GLY  21           HA1      GLY  21   3.111  -4.347   1.450
  153    H    ILE  22           HN       ILE  22   3.275  -2.593  -0.671
  154    HA   ILE  22           HA       ILE  22   5.565  -3.560  -2.035
  155    HB   ILE  22           HB       ILE  22   3.781  -1.275  -2.879
  156   HG12  ILE  22          HG12      ILE  22   3.461  -4.196  -3.586
  157   HG13  ILE  22          HG11      ILE  22   2.573  -3.423  -2.277
  158   HG21  ILE  22          HG21      ILE  22   5.471  -3.178  -4.498
  159   HG22  ILE  22          HG22      ILE  22   5.874  -1.499  -4.138
  160   HG23  ILE  22          HG23      ILE  22   4.468  -1.875  -5.135
  161   HD11  ILE  22          HD11      ILE  22   1.219  -3.547  -4.273
  162   HD12  ILE  22          HD12      ILE  22   2.451  -2.679  -5.189
  163   HD13  ILE  22          HD13      ILE  22   1.584  -1.865  -3.887
  164    H    LEU  23           HN       LEU  23   4.733  -0.478  -0.550
  165    HA   LEU  23           HA       LEU  23   6.934   1.005  -1.495
  166    HB2  LEU  23           HB2      LEU  23   5.010   2.123  -0.578
  167    HB3  LEU  23           HB1      LEU  23   5.215   1.317   0.964
  168    HG   LEU  23           HG       LEU  23   7.302   2.560   1.341
  169   HD11  LEU  23          HD11      LEU  23   8.018   2.883  -0.946
  170   HD12  LEU  23          HD12      LEU  23   7.866   4.444  -0.141
  171   HD13  LEU  23          HD13      LEU  23   6.619   3.908  -1.268
  172   HD21  LEU  23          HD21      LEU  23   6.285   4.764   1.683
  173   HD22  LEU  23          HD22      LEU  23   5.211   3.461   2.191
  174   HD23  LEU  23          HD23      LEU  23   4.929   4.291   0.661
  175    H    ALA  24           HN       ALA  24   6.477  -1.102   1.272
  176    HA   ALA  24           HA       ALA  24   8.847  -0.452   2.653
  177    HB1  ALA  24           HB1      ALA  24   8.511  -2.580   3.826
  178    HB2  ALA  24           HB2      ALA  24   7.280  -3.029   2.647
  179    HB3  ALA  24           HB3      ALA  24   7.016  -1.651   3.714
  180    H    SER  25           HN       SER  25   8.131  -2.741   0.078
  181    HA   SER  25           HA       SER  25  10.590  -4.131   0.139
  182    HB2  SER  25           HB2      SER  25   8.654  -3.718  -2.154
  183    HB3  SER  25           HB1      SER  25   9.966  -4.897  -2.132
  184    HG   SER  25           HG       SER  25   8.442  -5.123   0.081
  185    H    MET  26           HN       MET  26   9.513  -1.226  -1.544
  186    HA   MET  26           HA       MET  26  11.818  -0.965  -3.183
  187    HB2  MET  26           HB2      MET  26   9.807   1.112  -2.298
  188    HB3  MET  26           HB1      MET  26  11.013   1.349  -3.556
  189    HG2  MET  26           HG2      MET  26   9.976  -0.596  -4.764
  190    HG3  MET  26           HG1      MET  26   8.672  -0.531  -3.581
  191    HE1  MET  26           HE1      MET  26   8.456   2.598  -3.064
  192    HE2  MET  26           HE2      MET  26   7.034   1.581  -3.300
  193    HE3  MET  26           HE3      MET  26   7.220   3.069  -4.230
  194    H    ILE  27           HN       ILE  27  10.903   0.376  -0.034
  195    HA   ILE  27           HA       ILE  27  13.104   2.103   0.270
  196    HB   ILE  27           HB       ILE  27  11.471   0.710   2.398
  197   HG12  ILE  27          HG12      ILE  27  11.276   3.531   1.321
  198   HG13  ILE  27          HG11      ILE  27  10.231   2.208   0.820
  199   HG21  ILE  27          HG21      ILE  27  12.296   2.486   3.901
  200   HG22  ILE  27          HG22      ILE  27  13.373   3.042   2.620
  201   HG23  ILE  27          HG23      ILE  27  13.591   1.438   3.320
  202   HD11  ILE  27          HD11      ILE  27   9.120   3.598   2.450
  203   HD12  ILE  27          HD12      ILE  27  10.443   3.358   3.592
  204   HD13  ILE  27          HD13      ILE  27   9.423   1.997   3.125
  205    H    VAL  28           HN       VAL  28  12.624  -1.284   1.190
  206    HA   VAL  28           HA       VAL  28  15.115  -1.585   2.509
  207    HB   VAL  28           HB       VAL  28  13.329  -3.666   1.238
  208   HG11  VAL  28          HG11      VAL  28  15.567  -4.549   1.427
  209   HG12  VAL  28          HG12      VAL  28  14.544  -5.277   2.664
  210   HG13  VAL  28          HG13      VAL  28  15.679  -3.999   3.098
  211   HG21  VAL  28          HG21      VAL  28  12.529  -4.071   3.482
  212   HG22  VAL  28          HG22      VAL  28  12.315  -2.368   3.078
  213   HG23  VAL  28          HG23      VAL  28  13.640  -2.864   4.128
  214    H    ASN  29           HN       ASN  29  14.034  -2.463  -0.771
  215    HA   ASN  29           HA       ASN  29  16.447  -3.530  -1.681
  216    HB2  ASN  29           HB2      ASN  29  14.210  -2.143  -3.164
  217    HB3  ASN  29           HB1      ASN  29  15.560  -2.931  -3.975
  218   HD21  ASN  29          HD21      ASN  29  14.201  -4.409  -4.972
  219   HD22  ASN  29          HD22      ASN  29  13.470  -5.715  -4.110
  220    H    TRP  30           HN       TRP  30  15.354  -0.219  -1.414
  221    HA   TRP  30           HA       TRP  30  17.411   0.945  -2.996
  222    HB2  TRP  30           HB2      TRP  30  15.561   2.331  -2.741
  223    HB3  TRP  30           HB1      TRP  30  15.398   1.972  -1.027
  224    HD1  TRP  30           HD1      TRP  30  18.113   3.727  -3.209
  225    HE1  TRP  30           HE1      TRP  30  18.871   5.841  -1.949
  226    HE3  TRP  30           HE3      TRP  30  15.172   3.288   0.948
  227    HZ2  TRP  30           HZ2      TRP  30  18.293   7.150   0.489
  228    HZ3  TRP  30           HZ3      TRP  30  15.332   5.011   2.697
  229    HH2  TRP  30           HH2      TRP  30  16.861   6.902   2.471
  230    H    LEU  31           HN       LEU  31  16.973   0.615   0.520
  231    HA   LEU  31           HA       LEU  31  19.428   1.783   1.241
  232    HB2  LEU  31           HB2      LEU  31  17.468   0.006   2.621
  233    HB3  LEU  31           HB1      LEU  31  19.019   0.333   3.374
  234    HG   LEU  31           HG       LEU  31  17.115   2.499   2.499
  235   HD11  LEU  31          HD11      LEU  31  17.475   1.255   5.218
  236   HD12  LEU  31          HD12      LEU  31  16.038   1.154   4.202
  237   HD13  LEU  31          HD13      LEU  31  16.535   2.707   4.875
  238   HD21  LEU  31          HD21      LEU  31  19.502   2.534   4.340
  239   HD22  LEU  31          HD22      LEU  31  18.472   3.910   3.944
  240   HD23  LEU  31          HD23      LEU  31  19.462   3.161   2.692
  241    H    ASN  32           HN       ASN  32  18.597  -1.418   0.190
  242    HA   ASN  32           HA       ASN  32  20.860  -2.782   1.203
  243    HB2  ASN  32           HB2      ASN  32  18.978  -3.404  -1.071
  244    HB3  ASN  32           HB1      ASN  32  20.267  -4.492  -0.565
  245   HD21  ASN  32          HD21      ASN  32  17.398  -4.900  -0.555
  246   HD22  ASN  32          HD22      ASN  32  16.965  -5.258   1.078
  247    H    LYS  33           HN       LYS  33  20.334  -0.884  -1.694
  248    HA   LYS  33           HA       LYS  33  22.790  -1.813  -2.915
  249    HB2  LYS  33           HB2      LYS  33  22.188  -0.580  -4.811
  250    HB3  LYS  33           HB1      LYS  33  20.653  -1.141  -4.164
  251    HG2  LYS  33           HG2      LYS  33  20.047   0.997  -4.484
  252    HG3  LYS  33           HG1      LYS  33  20.840   1.241  -2.926
  253    HD2  LYS  33           HD2      LYS  33  22.915   1.848  -4.084
  254    HD3  LYS  33           HD1      LYS  33  22.112   1.612  -5.638
  255    HE2  LYS  33           HE2      LYS  33  21.336   3.629  -3.531
  256    HE3  LYS  33           HE1      LYS  33  22.209   3.979  -5.023
  257    HZ1  LYS  33           HZ1      LYS  33  20.292   3.246  -6.286
  258    HZ2  LYS  33           HZ2      LYS  33  19.848   4.481  -5.219
  259    HZ3  LYS  33           HZ3      LYS  33  19.455   2.876  -4.862
  260    H    ARG  34           HN       ARG  34  21.844   0.659  -0.749
  261    HA   ARG  34           HA       ARG  34  24.368   2.097  -1.239
  262    HB2  ARG  34           HB2      ARG  34  23.360   4.039  -0.193
  263    HB3  ARG  34           HB1      ARG  34  22.340   3.471  -1.506
  264    HG2  ARG  34           HG2      ARG  34  20.790   2.492   0.033
  265    HG3  ARG  34           HG1      ARG  34  21.864   2.821   1.395
  266    HD2  ARG  34           HD2      ARG  34  20.529   4.884  -0.355
  267    HD3  ARG  34           HD1      ARG  34  20.049   4.450   1.286
  268    HE   ARG  34           HE       ARG  34  22.561   5.189   1.696
  269   HH11  ARG  34          HH11      ARG  34  20.084   6.692  -0.240
  270   HH12  ARG  34          HH12      ARG  34  20.695   8.296  -0.005
  271   HH21  ARG  34          HH21      ARG  34  23.372   7.295   2.010
  272   HH22  ARG  34          HH22      ARG  34  22.564   8.639   1.274
  273    H    LYS  35           HN       LYS  35  23.447  -0.317   0.554
  274    HA   LYS  35           HA       LYS  35  24.030  -1.206   2.564
  275    HB2  LYS  35           HB2      LYS  35  26.160   0.918   2.312
  276    HB3  LYS  35           HB1      LYS  35  26.131  -0.251   3.623
  277    HG2  LYS  35           HG2      LYS  35  27.635  -1.099   2.034
  278    HG3  LYS  35           HG1      LYS  35  26.161  -2.050   1.849
  279    HD2  LYS  35           HD2      LYS  35  25.515  -0.718  -0.077
  280    HD3  LYS  35           HD1      LYS  35  26.934   0.309   0.133
  281    HE2  LYS  35           HE2      LYS  35  26.954  -2.641  -0.498
  282    HE3  LYS  35           HE1      LYS  35  27.282  -1.337  -1.638
  283    HZ1  LYS  35           HZ1      LYS  35  28.889  -1.977   0.777
  284    HZ2  LYS  35           HZ2      LYS  35  29.200  -0.708  -0.297
  285    HZ3  LYS  35           HZ3      LYS  35  29.327  -2.310  -0.823
  Start of MODEL   17
    1    H1   MET   1           HT1      MET   1  27.219   0.839  -5.070
    2    H2   MET   1           HT2      MET   1  26.530  -0.535  -4.366
    3    H3   MET   1           HT3      MET   1  27.952   0.119  -3.726
    4    HA   MET   1           HA       MET   1  26.788   2.126  -3.095
    5    HB2  MET   1           HB2      MET   1  24.315   2.153  -3.241
    6    HB3  MET   1           HB1      MET   1  25.090   2.139  -4.819
    7    HG2  MET   1           HG2      MET   1  24.683  -0.296  -4.950
    8    HG3  MET   1           HG1      MET   1  23.808  -0.198  -3.423
    9    HE1  MET   1           HE1      MET   1  22.444   1.916  -7.295
   10    HE2  MET   1           HE2      MET   1  23.865   0.875  -7.208
   11    HE3  MET   1           HE3      MET   1  23.851   2.421  -6.359
   12    H    THR   2           HN       THR   2  24.982   2.118  -1.261
   13    HA   THR   2           HA       THR   2  25.766  -0.056   0.526
   14    HB   THR   2           HB       THR   2  24.065   1.874   1.803
   15    HG1  THR   2           HG1      THR   2  26.187   3.386   1.265
   16   HG21  THR   2          HG21      THR   2  26.034   2.176   3.230
   17   HG22  THR   2          HG22      THR   2  27.022   1.303   2.059
   18   HG23  THR   2          HG23      THR   2  25.732   0.466   2.922
   19    H    PHE   3           HN       PHE   3  24.406  -1.526   1.361
   20    HA   PHE   3           HA       PHE   3  21.946  -2.048   0.093
   21    HB2  PHE   3           HB2      PHE   3  23.568  -3.629   1.409
   22    HB3  PHE   3           HB1      PHE   3  22.595  -3.161   2.800
   23    HD1  PHE   3           HD1      PHE   3  22.118  -4.303  -0.709
   24    HD2  PHE   3           HD2      PHE   3  20.814  -4.504   3.334
   25    HE1  PHE   3           HE1      PHE   3  20.436  -5.982  -1.341
   26    HE2  PHE   3           HE2      PHE   3  19.128  -6.185   2.712
   27    HZ   PHE   3           HZ       PHE   3  18.937  -6.928   0.371
   28    H    ALA   4           HN       ALA   4  22.786  -0.379   3.064
   29    HA   ALA   4           HA       ALA   4  20.156  -0.237   4.123
   30    HB1  ALA   4           HB1      ALA   4  21.057   1.484   5.612
   31    HB2  ALA   4           HB2      ALA   4  22.528   1.555   4.641
   32    HB3  ALA   4           HB3      ALA   4  22.126   0.083   5.527
   33    H    GLU   5           HN       GLU   5  22.086   1.899   2.072
   34    HA   GLU   5           HA       GLU   5  20.249   4.043   2.006
   35    HB2  GLU   5           HB2      GLU   5  22.371   3.210   0.018
   36    HB3  GLU   5           HB1      GLU   5  21.483   4.726  -0.058
   37    HG2  GLU   5           HG2      GLU   5  23.306   3.845   2.170
   38    HG3  GLU   5           HG1      GLU   5  23.671   5.046   0.932
   39    H    LEU   6           HN       LEU   6  20.510   1.051   0.224
   40    HA   LEU   6           HA       LEU   6  18.402   1.829  -1.629
   41    HB2  LEU   6           HB2      LEU   6  20.420   0.460  -2.317
   42    HB3  LEU   6           HB1      LEU   6  19.744  -0.859  -1.379
   43    HG   LEU   6           HG       LEU   6  17.912   0.309  -3.371
   44   HD11  LEU   6          HD11      LEU   6  18.969  -0.885  -5.240
   45   HD12  LEU   6          HD12      LEU   6  20.362  -1.232  -4.215
   46   HD13  LEU   6          HD13      LEU   6  19.972   0.435  -4.639
   47   HD21  LEU   6          HD21      LEU   6  18.741  -2.517  -2.711
   48   HD22  LEU   6          HD22      LEU   6  17.394  -2.041  -3.745
   49   HD23  LEU   6          HD23      LEU   6  17.359  -1.663  -2.024
   50    H    GLY   7           HN       GLY   7  18.733   0.434   1.418
   51    HA2  GLY   7           HA2      GLY   7  16.617  -1.445   1.390
   52    HA3  GLY   7           HA1      GLY   7  17.288  -0.673   2.818
   53    H    MET   8           HN       MET   8  16.720   1.998   2.213
   54    HA   MET   8           HA       MET   8  13.985   2.114   3.009
   55    HB2  MET   8           HB2      MET   8  15.927   4.298   2.238
   56    HB3  MET   8           HB1      MET   8  14.331   4.582   2.921
   57    HG2  MET   8           HG2      MET   8  16.516   3.026   4.285
   58    HG3  MET   8           HG1      MET   8  16.175   4.732   4.566
   59    HE1  MET   8           HE1      MET   8  14.867   3.042   7.851
   60    HE2  MET   8           HE2      MET   8  15.956   4.246   7.163
   61    HE3  MET   8           HE3      MET   8  16.264   2.529   6.905
   62    H    ALA   9           HN       ALA   9  15.721   2.992   0.035
   63    HA   ALA   9           HA       ALA   9  13.503   4.049  -1.343
   64    HB1  ALA   9           HB1      ALA   9  15.942   2.711  -2.509
   65    HB2  ALA   9           HB2      ALA   9  15.840   4.405  -2.031
   66    HB3  ALA   9           HB3      ALA   9  14.840   3.800  -3.351
   67    H    PHE  10           HN       PHE  10  14.864   0.790  -1.214
   68    HA   PHE  10           HA       PHE  10  13.064  -0.347  -3.090
   69    HB2  PHE  10           HB2      PHE  10  15.094  -1.503  -2.776
   70    HB3  PHE  10           HB1      PHE  10  14.935  -1.488  -1.026
   71    HD1  PHE  10           HD1      PHE  10  14.905  -3.653  -0.309
   72    HD2  PHE  10           HD2      PHE  10  12.573  -2.584  -3.706
   73    HE1  PHE  10           HE1      PHE  10  13.948  -5.920  -0.362
   74    HE2  PHE  10           HE2      PHE  10  11.613  -4.848  -3.766
   75    HZ   PHE  10           HZ       PHE  10  12.300  -6.520  -2.092
   76    H    TRP  11           HN       TRP  11  13.124  -0.300   0.474
   77    HA   TRP  11           HA       TRP  11  10.815  -1.861   0.832
   78    HB2  TRP  11           HB2      TRP  11  12.437  -0.059   2.526
   79    HB3  TRP  11           HB1      TRP  11  10.775  -0.312   3.047
   80    HD1  TRP  11           HD1      TRP  11  14.110  -1.793   3.395
   81    HE1  TRP  11           HE1      TRP  11  13.962  -4.179   4.349
   82    HE3  TRP  11           HE3      TRP  11   9.104  -2.611   2.764
   83    HZ2  TRP  11           HZ2      TRP  11  11.985  -6.147   4.777
   84    HZ3  TRP  11           HZ3      TRP  11   8.162  -4.772   3.472
   85    HH2  TRP  11           HH2      TRP  11   9.575  -6.503   4.457
   86    H    HIS  12           HN       HIS  12  11.247   1.629   0.492
   87    HA   HIS  12           HA       HIS  12   8.533   2.294   0.966
   88    HB2  HIS  12           HB2      HIS  12  10.809   3.763  -0.350
   89    HB3  HIS  12           HB1      HIS  12   9.195   4.457  -0.238
   90    HD1  HIS  12           HD1      HIS  12  10.837   2.491   2.551
   91    HD2  HIS  12           HD2      HIS  12   9.764   6.390   1.598
   92    HE1  HIS  12           HE1      HIS  12  11.179   3.855   4.653
   93    H    ASP  13           HN       ASP  13  10.381   1.607  -1.970
   94    HA   ASP  13           HA       ASP  13   8.348   2.292  -3.800
   95    HB2  ASP  13           HB2      ASP  13  10.684   2.063  -4.488
   96    HB3  ASP  13           HB1      ASP  13  10.639   0.343  -4.114
   97    H    LEU  14           HN       LEU  14   9.225  -0.788  -2.264
   98    HA   LEU  14           HA       LEU  14   7.204  -2.268  -3.634
   99    HB2  LEU  14           HB2      LEU  14   7.860  -4.127  -2.389
  100    HB3  LEU  14           HB1      LEU  14   9.328  -3.211  -2.628
  101    HG   LEU  14           HG       LEU  14   8.689  -2.235  -0.246
  102   HD11  LEU  14          HD11      LEU  14   7.625  -5.032  -0.036
  103   HD12  LEU  14          HD12      LEU  14   6.569  -3.647  -0.306
  104   HD13  LEU  14          HD13      LEU  14   7.554  -3.733   1.156
  105   HD21  LEU  14          HD21      LEU  14  10.132  -3.972   0.734
  106   HD22  LEU  14          HD22      LEU  14  10.773  -3.351  -0.786
  107   HD23  LEU  14          HD23      LEU  14   9.970  -4.920  -0.742
  108    H    ALA  15           HN       ALA  15   7.364  -0.446  -0.689
  109    HA   ALA  15           HA       ALA  15   5.015  -1.496   0.517
  110    HB1  ALA  15           HB1      ALA  15   5.172   0.375   2.044
  111    HB2  ALA  15           HB2      ALA  15   6.333   1.175   0.983
  112    HB3  ALA  15           HB3      ALA  15   6.768  -0.334   1.787
  113    H    ALA  16           HN       ALA  16   5.626   1.138  -1.732
  114    HA   ALA  16           HA       ALA  16   3.339   2.629  -1.549
  115    HB1  ALA  16           HB1      ALA  16   3.697   3.331  -3.803
  116    HB2  ALA  16           HB2      ALA  16   4.622   1.876  -4.168
  117    HB3  ALA  16           HB3      ALA  16   5.274   3.077  -3.054
  118    HA   PRO  17           HA       PRO  17   0.877  -0.321  -4.457
  119    HB2  PRO  17           HB2      PRO  17   1.873  -2.802  -4.941
  120    HB3  PRO  17           HB1      PRO  17   2.272  -1.401  -5.954
  121    HG2  PRO  17           HG2      PRO  17   3.865  -2.655  -3.768
  122    HG3  PRO  17           HG1      PRO  17   4.393  -2.068  -5.359
  123    HD2  PRO  17           HD2      PRO  17   4.733  -0.627  -3.099
  124    HD3  PRO  17           HD1      PRO  17   4.459   0.122  -4.682
  125    H    VAL  18           HN       VAL  18   2.688  -1.616  -1.763
  126    HA   VAL  18           HA       VAL  18   0.829  -3.642  -1.021
  127    HB   VAL  18           HB       VAL  18   2.955  -2.237   0.606
  128   HG11  VAL  18          HG11      VAL  18   1.237  -3.171   2.064
  129   HG12  VAL  18          HG12      VAL  18   2.740  -4.083   2.192
  130   HG13  VAL  18          HG13      VAL  18   1.392  -4.733   1.259
  131   HG21  VAL  18          HG21      VAL  18   3.625  -3.628  -1.418
  132   HG22  VAL  18          HG22      VAL  18   3.038  -5.025  -0.516
  133   HG23  VAL  18          HG23      VAL  18   4.368  -4.058   0.122
  134    H    ILE  19           HN       ILE  19   1.398  -0.324   0.066
  135    HA   ILE  19           HA       ILE  19  -0.656  -0.303   2.029
  136    HB   ILE  19           HB       ILE  19   0.640   2.035   0.619
  137   HG12  ILE  19          HG12      ILE  19   1.380   0.961   3.332
  138   HG13  ILE  19          HG11      ILE  19   2.131   0.335   1.868
  139   HG21  ILE  19          HG21      ILE  19  -0.883   1.875   3.215
  140   HG22  ILE  19          HG22      ILE  19  -1.409   2.675   1.734
  141   HG23  ILE  19          HG23      ILE  19  -0.022   3.297   2.628
  142   HD11  ILE  19          HD11      ILE  19   2.988   2.527   1.335
  143   HD12  ILE  19          HD12      ILE  19   3.479   2.060   2.964
  144   HD13  ILE  19          HD13      ILE  19   2.166   3.215   2.735
  145    H    ALA  20           HN       ALA  20  -0.437   0.844  -1.314
  146    HA   ALA  20           HA       ALA  20  -2.971   2.041  -1.481
  147    HB1  ALA  20           HB1      ALA  20  -1.433   0.727  -3.719
  148    HB2  ALA  20           HB2      ALA  20  -1.122   2.353  -3.110
  149    HB3  ALA  20           HB3      ALA  20  -2.670   1.976  -3.868
  150    H    GLY  21           HN       GLY  21  -1.921  -1.290  -1.874
  151    HA2  GLY  21           HA2      GLY  21  -4.288  -2.300  -3.040
  152    HA3  GLY  21           HA1      GLY  21  -3.094  -3.243  -2.160
  153    H    ILE  22           HN       ILE  22  -3.239  -2.093   0.346
  154    HA   ILE  22           HA       ILE  22  -5.497  -3.386   1.441
  155    HB   ILE  22           HB       ILE  22  -3.780  -1.300   2.795
  156   HG12  ILE  22          HG12      ILE  22  -3.381  -4.297   2.792
  157   HG13  ILE  22          HG11      ILE  22  -2.490  -3.197   1.745
  158   HG21  ILE  22          HG21      ILE  22  -5.421  -3.561   3.930
  159   HG22  ILE  22          HG22      ILE  22  -5.857  -1.853   3.969
  160   HG23  ILE  22          HG23      ILE  22  -4.441  -2.422   4.852
  161   HD11  ILE  22          HD11      ILE  22  -2.454  -3.223   4.753
  162   HD12  ILE  22          HD12      ILE  22  -1.602  -2.063   3.734
  163   HD13  ILE  22          HD13      ILE  22  -1.168  -3.771   3.677
  164    H    LEU  23           HN       LEU  23  -4.773  -0.012   0.726
  165    HA   LEU  23           HA       LEU  23  -7.009   1.142   1.977
  166    HB2  LEU  23           HB2      LEU  23  -5.215   2.562   1.356
  167    HB3  LEU  23           HB1      LEU  23  -5.264   2.021  -0.311
  168    HG   LEU  23           HG       LEU  23  -7.406   3.171  -0.630
  169   HD11  LEU  23          HD11      LEU  23  -7.013   4.116   2.207
  170   HD12  LEU  23          HD12      LEU  23  -8.270   3.016   1.641
  171   HD13  LEU  23          HD13      LEU  23  -8.253   4.691   1.092
  172   HD21  LEU  23          HD21      LEU  23  -5.302   4.335  -1.103
  173   HD22  LEU  23          HD22      LEU  23  -5.280   4.954   0.547
  174   HD23  LEU  23          HD23      LEU  23  -6.560   5.445  -0.562
  175    H    ALA  24           HN       ALA  24  -6.539  -0.262  -1.207
  176    HA   ALA  24           HA       ALA  24  -8.943   0.592  -2.389
  177    HB1  ALA  24           HB1      ALA  24  -7.289  -1.870  -2.935
  178    HB2  ALA  24           HB2      ALA  24  -7.123  -0.295  -3.713
  179    HB3  ALA  24           HB3      ALA  24  -8.576  -1.260  -3.975
  180    H    SER  25           HN       SER  25  -8.140  -2.267  -0.470
  181    HA   SER  25           HA       SER  25 -10.578  -3.628  -0.791
  182    HB2  SER  25           HB2      SER  25  -8.587  -4.737   0.089
  183    HB3  SER  25           HB1      SER  25  -8.622  -3.706   1.519
  184    HG   SER  25           HG       SER  25 -10.411  -4.733   2.231
  185    H    MET  26           HN       MET  26  -9.560  -1.129   1.469
  186    HA   MET  26           HA       MET  26 -11.820  -1.316   3.176
  187    HB2  MET  26           HB2      MET  26  -9.895   0.960   2.686
  188    HB3  MET  26           HB1      MET  26 -11.112   0.950   3.955
  189    HG2  MET  26           HG2      MET  26 -10.034  -1.157   4.812
  190    HG3  MET  26           HG1      MET  26  -8.722  -0.847   3.677
  191    HE1  MET  26           HE1      MET  26  -7.106   1.295   3.826
  192    HE2  MET  26           HE2      MET  26  -7.362   2.605   4.977
  193    HE3  MET  26           HE3      MET  26  -8.548   2.303   3.707
  194    H    ILE  27           HN       ILE  27 -11.085   0.618   0.314
  195    HA   ILE  27           HA       ILE  27 -13.384   2.264   0.435
  196    HB   ILE  27           HB       ILE  27 -11.747   1.465  -1.977
  197   HG12  ILE  27          HG12      ILE  27 -11.601   3.935  -0.233
  198   HG13  ILE  27          HG11      ILE  27 -10.462   2.595  -0.182
  199   HG21  ILE  27          HG21      ILE  27 -12.683   3.479  -3.027
  200   HG22  ILE  27          HG22      ILE  27 -13.710   3.728  -1.615
  201   HG23  ILE  27          HG23      ILE  27 -13.936   2.303  -2.629
  202   HD11  ILE  27          HD11      ILE  27 -10.941   4.456  -2.495
  203   HD12  ILE  27          HD12      ILE  27  -9.854   3.066  -2.520
  204   HD13  ILE  27          HD13      ILE  27  -9.530   4.421  -1.437
  205    H    VAL  28           HN       VAL  28 -12.707  -0.804  -1.205
  206    HA   VAL  28           HA       VAL  28 -15.162  -1.005  -2.574
  207    HB   VAL  28           HB       VAL  28 -13.331  -3.212  -1.615
  208   HG11  VAL  28          HG11      VAL  28 -15.586  -3.276  -3.619
  209   HG12  VAL  28          HG12      VAL  28 -15.543  -4.095  -2.057
  210   HG13  VAL  28          HG13      VAL  28 -14.437  -4.586  -3.341
  211   HG21  VAL  28          HG21      VAL  28 -12.262  -1.613  -3.137
  212   HG22  VAL  28          HG22      VAL  28 -13.554  -1.869  -4.308
  213   HG23  VAL  28          HG23      VAL  28 -12.466  -3.193  -3.893
  214    H    ASN  29           HN       ASN  29 -14.110  -2.211   0.591
  215    HA   ASN  29           HA       ASN  29 -16.444  -3.599   1.267
  216    HB2  ASN  29           HB2      ASN  29 -14.344  -2.243   2.958
  217    HB3  ASN  29           HB1      ASN  29 -15.678  -3.151   3.662
  218   HD21  ASN  29          HD21      ASN  29 -12.821  -3.657   3.793
  219   HD22  ASN  29          HD22      ASN  29 -12.579  -5.239   3.141
  220    H    TRP  30           HN       TRP  30 -15.601  -0.206   1.494
  221    HA   TRP  30           HA       TRP  30 -17.785   0.616   3.091
  222    HB2  TRP  30           HB2      TRP  30 -16.071   2.186   2.999
  223    HB3  TRP  30           HB1      TRP  30 -15.852   1.997   1.263
  224    HD1  TRP  30           HD1      TRP  30 -18.730   3.301   3.545
  225    HE1  TRP  30           HE1      TRP  30 -19.682   5.430   2.455
  226    HE3  TRP  30           HE3      TRP  30 -15.767   3.476  -0.615
  227    HZ2  TRP  30           HZ2      TRP  30 -19.235   6.977   0.137
  228    HZ3  TRP  30           HZ3      TRP  30 -16.093   5.309  -2.220
  229    HH2  TRP  30           HH2      TRP  30 -17.792   7.024  -1.852
  230    H    LEU  31           HN       LEU  31 -17.275   0.599  -0.423
  231    HA   LEU  31           HA       LEU  31 -19.787   1.651  -1.113
  232    HB2  LEU  31           HB2      LEU  31 -17.734   0.045  -2.580
  233    HB3  LEU  31           HB1      LEU  31 -19.277   0.407  -3.331
  234    HG   LEU  31           HG       LEU  31 -17.525   2.576  -2.213
  235   HD11  LEU  31          HD11      LEU  31 -16.189   1.341  -3.820
  236   HD12  LEU  31          HD12      LEU  31 -16.665   2.905  -4.482
  237   HD13  LEU  31          HD13      LEU  31 -17.494   1.438  -5.002
  238   HD21  LEU  31          HD21      LEU  31 -18.783   3.977  -3.745
  239   HD22  LEU  31          HD22      LEU  31 -19.878   3.105  -2.672
  240   HD23  LEU  31          HD23      LEU  31 -19.664   2.569  -4.338
  241    H    ASN  32           HN       ASN  32 -18.769  -1.551  -0.238
  242    HA   ASN  32           HA       ASN  32 -20.916  -2.995  -1.371
  243    HB2  ASN  32           HB2      ASN  32 -19.077  -3.631   0.935
  244    HB3  ASN  32           HB1      ASN  32 -20.256  -4.769   0.289
  245   HD21  ASN  32          HD21      ASN  32 -17.337  -4.916   0.391
  246   HD22  ASN  32          HD22      ASN  32 -16.816  -5.131  -1.242
  247    H    LYS  33           HN       LYS  33 -20.554  -1.311   1.705
  248    HA   LYS  33           HA       LYS  33 -22.971  -2.433   2.801
  249    HB2  LYS  33           HB2      LYS  33 -22.571  -1.083   4.719
  250    HB3  LYS  33           HB1      LYS  33 -21.008  -1.684   4.186
  251    HG2  LYS  33           HG2      LYS  33 -20.283   0.407   4.258
  252    HG3  LYS  33           HG1      LYS  33 -21.316   0.742   2.867
  253    HD2  LYS  33           HD2      LYS  33 -23.145   1.354   4.353
  254    HD3  LYS  33           HD1      LYS  33 -22.146   0.976   5.758
  255    HE2  LYS  33           HE2      LYS  33 -20.568   2.731   5.098
  256    HE3  LYS  33           HE1      LYS  33 -21.576   3.111   3.703
  257    HZ1  LYS  33           HZ1      LYS  33 -23.363   3.728   5.201
  258    HZ2  LYS  33           HZ2      LYS  33 -21.975   4.634   5.538
  259    HZ3  LYS  33           HZ3      LYS  33 -22.408   3.346   6.545
  260    H    ARG  34           HN       ARG  34 -22.178   0.241   0.791
  261    HA   ARG  34           HA       ARG  34 -24.812   1.452   1.273
  262    HB2  ARG  34           HB2      ARG  34 -23.943   3.442   0.146
  263    HB3  ARG  34           HB1      ARG  34 -22.919   2.984   1.499
  264    HG2  ARG  34           HG2      ARG  34 -21.289   2.029   0.008
  265    HG3  ARG  34           HG1      ARG  34 -22.340   2.319  -1.380
  266    HD2  ARG  34           HD2      ARG  34 -21.126   4.428   0.403
  267    HD3  ARG  34           HD1      ARG  34 -20.588   4.013  -1.223
  268    HE   ARG  34           HE       ARG  34 -23.349   4.893  -0.909
  269   HH11  ARG  34          HH11      ARG  34 -20.081   5.632  -1.871
  270   HH12  ARG  34          HH12      ARG  34 -20.533   7.021  -2.802
  271   HH21  ARG  34          HH21      ARG  34 -23.950   6.723  -2.132
  272   HH22  ARG  34          HH22      ARG  34 -22.729   7.643  -2.947
  273    H    LYS  35           HN       LYS  35 -23.402  -0.735  -0.711
  274    HA   LYS  35           HA       LYS  35 -23.869  -1.618  -2.753
  275    HB2  LYS  35           HB2      LYS  35 -26.486  -0.293  -2.075
  276    HB3  LYS  35           HB1      LYS  35 -26.273  -1.214  -3.556
  277    HG2  LYS  35           HG2      LYS  35 -27.266  -2.667  -1.982
  278    HG3  LYS  35           HG1      LYS  35 -25.578  -3.159  -2.128
  279    HD2  LYS  35           HD2      LYS  35 -25.039  -1.951  -0.076
  280    HD3  LYS  35           HD1      LYS  35 -26.717  -1.422   0.062
  281    HE2  LYS  35           HE2      LYS  35 -27.434  -3.752   0.262
  282    HE3  LYS  35           HE1      LYS  35 -25.759  -4.283   0.118
  283    HZ1  LYS  35           HZ1      LYS  35 -25.250  -3.075   2.156
  284    HZ2  LYS  35           HZ2      LYS  35 -26.454  -4.233   2.421
  285    HZ3  LYS  35           HZ3      LYS  35 -26.867  -2.597   2.299
  Start of MODEL   18
    1    H1   MET   1           HT1      MET   1 -26.153   2.429  -3.353
    2    H2   MET   1           HT2      MET   1 -27.535   1.520  -3.001
    3    H3   MET   1           HT3      MET   1 -26.843   1.442  -4.542
    4    HA   MET   1           HA       MET   1 -26.325  -0.525  -3.248
    5    HB2  MET   1           HB2      MET   1 -24.735   0.401  -4.949
    6    HB3  MET   1           HB1      MET   1 -23.897   1.232  -3.647
    7    HG2  MET   1           HG2      MET   1 -23.388  -0.921  -2.605
    8    HG3  MET   1           HG1      MET   1 -24.216  -1.748  -3.924
    9    HE1  MET   1           HE1      MET   1 -23.392  -0.055  -6.444
   10    HE2  MET   1           HE2      MET   1 -23.330  -1.817  -6.425
   11    HE3  MET   1           HE3      MET   1 -21.937  -0.892  -6.985
   12    H    THR   2           HN       THR   2 -25.055  -1.444  -1.506
   13    HA   THR   2           HA       THR   2 -25.479  -0.041   0.957
   14    HB   THR   2           HB       THR   2 -23.869  -2.287   1.476
   15    HG1  THR   2           HG1      THR   2 -25.893  -3.363  -0.039
   16   HG21  THR   2          HG21      THR   2 -25.777  -1.514   2.806
   17   HG22  THR   2          HG22      THR   2 -25.929  -3.222   2.396
   18   HG23  THR   2          HG23      THR   2 -26.876  -2.017   1.522
   19    H    PHE   3           HN       PHE   3 -24.076   1.071   2.157
   20    HA   PHE   3           HA       PHE   3 -21.599   1.904   1.108
   21    HB2  PHE   3           HB2      PHE   3 -23.169   3.003   2.896
   22    HB3  PHE   3           HB1      PHE   3 -22.208   2.070   4.040
   23    HD1  PHE   3           HD1      PHE   3 -21.733   4.330   1.124
   24    HD2  PHE   3           HD2      PHE   3 -20.356   3.079   4.948
   25    HE1  PHE   3           HE1      PHE   3 -20.003   6.077   1.066
   26    HE2  PHE   3           HE2      PHE   3 -18.621   4.825   4.901
   27    HZ   PHE   3           HZ       PHE   3 -18.444   6.328   2.957
   28    H    ALA   4           HN       ALA   4 -22.503  -0.642   3.341
   29    HA   ALA   4           HA       ALA   4 -19.886  -1.223   4.276
   30    HB1  ALA   4           HB1      ALA   4 -21.897  -1.928   5.483
   31    HB2  ALA   4           HB2      ALA   4 -20.848  -3.298   5.118
   32    HB3  ALA   4           HB3      ALA   4 -22.306  -3.023   4.163
   33    H    GLU   5           HN       GLU   5 -21.855  -2.446   1.609
   34    HA   GLU   5           HA       GLU   5 -20.059  -4.497   0.833
   35    HB2  GLU   5           HB2      GLU   5 -22.252  -3.059  -0.660
   36    HB3  GLU   5           HB1      GLU   5 -21.330  -4.386  -1.354
   37    HG2  GLU   5           HG2      GLU   5 -23.031  -4.526   1.126
   38    HG3  GLU   5           HG1      GLU   5 -23.466  -5.143  -0.467
   39    H    LEU   6           HN       LEU   6 -20.413  -1.105  -0.031
   40    HA   LEU   6           HA       LEU   6 -18.317  -1.255  -2.029
   41    HB2  LEU   6           HB2      LEU   6 -20.371   0.269  -2.133
   42    HB3  LEU   6           HB1      LEU   6 -19.569   1.246  -0.916
   43    HG   LEU   6           HG       LEU   6 -17.937   0.660  -3.297
   44   HD11  LEU   6          HD11      LEU   6 -20.338   2.476  -3.478
   45   HD12  LEU   6          HD12      LEU   6 -20.127   0.953  -4.341
   46   HD13  LEU   6          HD13      LEU   6 -19.063   2.316  -4.686
   47   HD21  LEU   6          HD21      LEU   6 -18.598   3.223  -1.851
   48   HD22  LEU   6          HD22      LEU   6 -17.295   2.968  -3.013
   49   HD23  LEU   6          HD23      LEU   6 -17.253   2.156  -1.448
   50    H    GLY   7           HN       GLY   7 -18.538  -0.903   1.311
   51    HA2  GLY   7           HA2      GLY   7 -16.418   0.913   1.802
   52    HA3  GLY   7           HA1      GLY   7 -17.067  -0.247   2.948
   53    H    MET   8           HN       MET   8 -16.488  -2.651   1.899
   54    HA   MET   8           HA       MET   8 -13.737  -2.921   2.467
   55    HB2  MET   8           HB2      MET   8 -15.661  -4.875   1.194
   56    HB3  MET   8           HB1      MET   8 -14.052  -5.286   1.771
   57    HG2  MET   8           HG2      MET   8 -16.279  -4.204   3.482
   58    HG3  MET   8           HG1      MET   8 -15.824  -5.903   3.355
   59    HE1  MET   8           HE1      MET   8 -14.573  -4.929   6.943
   60    HE2  MET   8           HE2      MET   8 -15.517  -6.084   6.003
   61    HE3  MET   8           HE3      MET   8 -16.045  -4.405   6.124
   62    H    ALA   9           HN       ALA   9 -15.535  -3.069  -0.594
   63    HA   ALA   9           HA       ALA   9 -13.354  -3.715  -2.240
   64    HB1  ALA   9           HB1      ALA   9 -14.746  -2.888  -4.089
   65    HB2  ALA   9           HB2      ALA   9 -15.869  -2.195  -2.918
   66    HB3  ALA   9           HB3      ALA   9 -15.645  -3.942  -2.998
   67    H    PHE  10           HN       PHE  10 -14.719  -0.571  -1.326
   68    HA   PHE  10           HA       PHE  10 -12.923   0.965  -2.900
   69    HB2  PHE  10           HB2      PHE  10 -14.944   2.024  -2.327
   70    HB3  PHE  10           HB1      PHE  10 -14.785   1.607  -0.627
   71    HD1  PHE  10           HD1      PHE  10 -14.548   3.447   0.682
   72    HD2  PHE  10           HD2      PHE  10 -12.607   3.372  -3.105
   73    HE1  PHE  10           HE1      PHE  10 -13.565   5.656   1.146
   74    HE2  PHE  10           HE2      PHE  10 -11.625   5.579  -2.651
   75    HZ   PHE  10           HZ       PHE  10 -12.102   6.726  -0.523
   76    H    TRP  11           HN       TRP  11 -12.931   0.014   0.524
   77    HA   TRP  11           HA       TRP  11 -10.646   1.500   1.247
   78    HB2  TRP  11           HB2      TRP  11 -12.206  -0.714   2.459
   79    HB3  TRP  11           HB1      TRP  11 -10.566  -0.479   3.052
   80    HD1  TRP  11           HD1      TRP  11 -13.993   0.676   3.656
   81    HE1  TRP  11           HE1      TRP  11 -14.011   2.793   5.118
   82    HE3  TRP  11           HE3      TRP  11  -9.047   1.938   3.322
   83    HZ2  TRP  11           HZ2      TRP  11 -12.175   4.741   6.011
   84    HZ3  TRP  11           HZ3      TRP  11  -8.261   3.943   4.513
   85    HH2  TRP  11           HH2      TRP  11  -9.794   5.316   5.827
   86    H    HIS  12           HN       HIS  12 -11.048  -1.825   0.125
   87    HA   HIS  12           HA       HIS  12  -8.319  -2.547   0.390
   88    HB2  HIS  12           HB2      HIS  12 -10.589  -3.708  -1.224
   89    HB3  HIS  12           HB1      HIS  12  -8.973  -4.409  -1.217
   90    HD1  HIS  12           HD1      HIS  12 -10.607  -3.058   1.910
   91    HD2  HIS  12           HD2      HIS  12  -9.673  -6.694   0.130
   92    HE1  HIS  12           HE1      HIS  12 -11.033  -4.835   3.659
   93    H    ASP  13           HN       ASP  13 -10.240  -1.235  -2.267
   94    HA   ASP  13           HA       ASP  13  -8.235  -1.451  -4.247
   95    HB2  ASP  13           HB2      ASP  13 -10.586  -1.161  -4.835
   96    HB3  ASP  13           HB1      ASP  13 -10.598   0.430  -4.079
   97    H    LEU  14           HN       LEU  14  -9.156   1.181  -2.047
   98    HA   LEU  14           HA       LEU  14  -7.218   2.995  -3.099
   99    HB2  LEU  14           HB2      LEU  14  -7.871   4.501  -1.435
  100    HB3  LEU  14           HB1      LEU  14  -9.327   3.629  -1.854
  101    HG   LEU  14           HG       LEU  14  -8.627   2.145   0.223
  102   HD11  LEU  14          HD11      LEU  14  -7.568   4.821   1.070
  103   HD12  LEU  14          HD12      LEU  14  -6.512   3.557   0.444
  104   HD13  LEU  14          HD13      LEU  14  -7.455   3.272   1.908
  105   HD21  LEU  14          HD21      LEU  14 -10.724   3.347   0.000
  106   HD22  LEU  14          HD22      LEU  14  -9.920   4.864   0.404
  107   HD23  LEU  14          HD23      LEU  14 -10.053   3.588   1.613
  108    H    ALA  15           HN       ALA  15  -7.245   0.557  -0.633
  109    HA   ALA  15           HA       ALA  15  -4.884   1.370   0.719
  110    HB1  ALA  15           HB1      ALA  15  -6.109  -1.381   0.590
  111    HB2  ALA  15           HB2      ALA  15  -6.579  -0.112   1.721
  112    HB3  ALA  15           HB3      ALA  15  -4.953  -0.795   1.787
  113    H    ALA  16           HN       ALA  16  -5.516  -0.686  -2.058
  114    HA   ALA  16           HA       ALA  16  -3.191  -2.116  -2.277
  115    HB1  ALA  16           HB1      ALA  16  -5.072  -2.405  -3.788
  116    HB2  ALA  16           HB2      ALA  16  -3.574  -2.175  -4.690
  117    HB3  ALA  16           HB3      ALA  16  -4.725  -0.849  -4.541
  118    HA   PRO  17           HA       PRO  17  -0.902   1.485  -4.520
  119    HB2  PRO  17           HB2      PRO  17  -1.985   3.976  -4.433
  120    HB3  PRO  17           HB1      PRO  17  -2.364   2.815  -5.719
  121    HG2  PRO  17           HG2      PRO  17  -3.944   3.517  -3.295
  122    HG3  PRO  17           HG1      PRO  17  -4.490   3.249  -4.963
  123    HD2  PRO  17           HD2      PRO  17  -4.720   1.365  -3.036
  124    HD3  PRO  17           HD1      PRO  17  -4.480   0.969  -4.747
  125    H    VAL  18           HN       VAL  18  -2.665   2.112  -1.566
  126    HA   VAL  18           HA       VAL  18  -0.865   4.014  -0.457
  127    HB   VAL  18           HB       VAL  18  -2.868   2.176   0.866
  128   HG11  VAL  18          HG11      VAL  18  -2.649   3.619   2.844
  129   HG12  VAL  18          HG12      VAL  18  -1.314   4.467   2.064
  130   HG13  VAL  18          HG13      VAL  18  -1.153   2.760   2.478
  131   HG21  VAL  18          HG21      VAL  18  -4.350   4.000   0.881
  132   HG22  VAL  18          HG22      VAL  18  -3.638   4.011  -0.733
  133   HG23  VAL  18          HG23      VAL  18  -3.072   5.149   0.488
  134    H    ILE  19           HN       ILE  19  -1.275   0.523  -0.002
  135    HA   ILE  19           HA       ILE  19   0.922   0.221   1.772
  136    HB   ILE  19           HB       ILE  19  -0.395  -1.892   0.061
  137   HG12  ILE  19          HG12      ILE  19  -1.054  -1.307   2.938
  138   HG13  ILE  19          HG11      ILE  19  -1.870  -0.450   1.634
  139   HG21  ILE  19          HG21      ILE  19   0.390  -3.431   1.814
  140   HG22  ILE  19          HG22      ILE  19   1.219  -2.088   2.602
  141   HG23  ILE  19          HG23      ILE  19   1.723  -2.615   0.996
  142   HD11  ILE  19          HD11      ILE  19  -2.710  -2.532   0.750
  143   HD12  ILE  19          HD12      ILE  19  -3.147  -2.372   2.452
  144   HD13  ILE  19          HD13      ILE  19  -1.824  -3.438   1.978
  145    H    ALA  20           HN       ALA  20   0.497  -0.105  -1.712
  146    HA   ALA  20           HA       ALA  20   3.027  -1.245  -2.265
  147    HB1  ALA  20           HB1      ALA  20   2.593  -0.622  -4.585
  148    HB2  ALA  20           HB2      ALA  20   1.255   0.404  -4.068
  149    HB3  ALA  20           HB3      ALA  20   1.162  -1.343  -3.847
  150    H    GLY  21           HN       GLY  21   1.876   2.079  -2.025
  151    HA2  GLY  21           HA2      GLY  21   4.196   3.333  -3.045
  152    HA3  GLY  21           HA1      GLY  21   2.996   4.085  -2.003
  153    H    ILE  22           HN       ILE  22   3.202   2.556   0.269
  154    HA   ILE  22           HA       ILE  22   5.500   3.666   1.505
  155    HB   ILE  22           HB       ILE  22   3.620   1.536   2.539
  156   HG12  ILE  22          HG12      ILE  22   3.624   4.516   3.062
  157   HG13  ILE  22          HG11      ILE  22   2.561   3.720   1.907
  158   HG21  ILE  22          HG21      ILE  22   5.605   3.284   3.989
  159   HG22  ILE  22          HG22      ILE  22   5.703   1.536   3.774
  160   HG23  ILE  22          HG23      ILE  22   4.420   2.231   4.764
  161   HD11  ILE  22          HD11      ILE  22   1.450   4.189   4.033
  162   HD12  ILE  22          HD12      ILE  22   2.629   3.176   4.866
  163   HD13  ILE  22          HD13      ILE  22   1.523   2.460   3.693
  164    H    LEU  23           HN       LEU  23   4.691   0.474   0.276
  165    HA   LEU  23           HA       LEU  23   6.877  -0.930   1.371
  166    HB2  LEU  23           HB2      LEU  23   4.991  -2.140   0.521
  167    HB3  LEU  23           HB1      LEU  23   5.178  -1.426  -1.069
  168    HG   LEU  23           HG       LEU  23   7.310  -2.654  -1.348
  169   HD11  LEU  23          HD11      LEU  23   7.862  -4.458   0.210
  170   HD12  LEU  23          HD12      LEU  23   6.550  -3.941   1.270
  171   HD13  LEU  23          HD13      LEU  23   7.931  -2.878   0.993
  172   HD21  LEU  23          HD21      LEU  23   5.212  -3.575  -2.201
  173   HD22  LEU  23          HD22      LEU  23   4.943  -4.390  -0.660
  174   HD23  LEU  23          HD23      LEU  23   6.309  -4.851  -1.674
  175    H    ALA  24           HN       ALA  24   6.446   0.845  -1.645
  176    HA   ALA  24           HA       ALA  24   8.828   0.105  -2.911
  177    HB1  ALA  24           HB1      ALA  24   8.530   2.108  -4.271
  178    HB2  ALA  24           HB2      ALA  24   7.333   2.716  -3.127
  179    HB3  ALA  24           HB3      ALA  24   7.002   1.255  -4.057
  180    H    SER  25           HN       SER  25   8.130   2.776  -0.688
  181    HA   SER  25           HA       SER  25  10.643   4.019  -0.814
  182    HB2  SER  25           HB2      SER  25   8.718   5.152   0.146
  183    HB3  SER  25           HB1      SER  25   8.626   3.959   1.441
  184    HG   SER  25           HG       SER  25  10.061   5.068   2.480
  185    H    MET  26           HN       MET  26   9.434   1.392   1.214
  186    HA   MET  26           HA       MET  26  11.679   1.279   2.940
  187    HB2  MET  26           HB2      MET  26   9.654  -0.851   2.232
  188    HB3  MET  26           HB1      MET  26  10.822  -0.976   3.540
  189    HG2  MET  26           HG2      MET  26   9.801   1.113   4.500
  190    HG3  MET  26           HG1      MET  26   8.522   0.940   3.300
  191    HE1  MET  26           HE1      MET  26   8.157  -2.176   3.103
  192    HE2  MET  26           HE2      MET  26   6.786  -1.077   3.256
  193    HE3  MET  26           HE3      MET  26   6.913  -2.482   4.315
  194    H    ILE  27           HN       ILE  27  10.853  -0.425  -0.050
  195    HA   ILE  27           HA       ILE  27  13.053  -2.190  -0.041
  196    HB   ILE  27           HB       ILE  27  11.468  -1.130  -2.385
  197   HG12  ILE  27          HG12      ILE  27  11.229  -3.745  -0.878
  198   HG13  ILE  27          HG11      ILE  27  10.165  -2.361  -0.651
  199   HG21  ILE  27          HG21      ILE  27  13.612  -1.992  -3.123
  200   HG22  ILE  27          HG22      ILE  27  12.321  -3.098  -3.592
  201   HG23  ILE  27          HG23      ILE  27  13.352  -3.480  -2.213
  202   HD11  ILE  27          HD11      ILE  27  10.494  -3.955  -3.181
  203   HD12  ILE  27          HD12      ILE  27   9.448  -2.549  -2.985
  204   HD13  ILE  27          HD13      ILE  27   9.127  -4.021  -2.068
  205    H    VAL  28           HN       VAL  28  12.601   1.044  -1.414
  206    HA   VAL  28           HA       VAL  28  15.100   1.142  -2.750
  207    HB   VAL  28           HB       VAL  28  13.353   3.407  -1.773
  208   HG11  VAL  28          HG11      VAL  28  14.578   4.787  -3.403
  209   HG12  VAL  28          HG12      VAL  28  15.662   3.431  -3.715
  210   HG13  VAL  28          HG13      VAL  28  15.626   4.182  -2.120
  211   HG21  VAL  28          HG21      VAL  28  12.293   1.872  -3.400
  212   HG22  VAL  28          HG22      VAL  28  13.606   2.205  -4.528
  213   HG23  VAL  28          HG23      VAL  28  12.517   3.501  -4.035
  214    H    ASN  29           HN       ASN  29  14.033   2.154   0.467
  215    HA   ASN  29           HA       ASN  29  16.398   3.463   1.245
  216    HB2  ASN  29           HB2      ASN  29  14.240   2.090   2.851
  217    HB3  ASN  29           HB1      ASN  29  15.574   2.961   3.596
  218   HD21  ASN  29          HD21      ASN  29  12.722   3.486   3.715
  219   HD22  ASN  29          HD22      ASN  29  12.499   5.090   3.116
  220    H    TRP  30           HN       TRP  30  15.399   0.095   1.404
  221    HA   TRP  30           HA       TRP  30  17.593  -0.824   2.954
  222    HB2  TRP  30           HB2      TRP  30  15.776  -2.270   2.997
  223    HB3  TRP  30           HB1      TRP  30  15.477  -2.113   1.272
  224    HD1  TRP  30           HD1      TRP  30  18.380  -3.572   3.431
  225    HE1  TRP  30           HE1      TRP  30  19.091  -5.804   2.365
  226    HE3  TRP  30           HE3      TRP  30  15.154  -3.640  -0.531
  227    HZ2  TRP  30           HZ2      TRP  30  18.375  -7.386   0.136
  228    HZ3  TRP  30           HZ3      TRP  30  15.229  -5.547  -2.083
  229    HH2  TRP  30           HH2      TRP  30  16.807  -7.381  -1.755
  230    H    LEU  31           HN       LEU  31  16.926  -0.909  -0.540
  231    HA   LEU  31           HA       LEU  31  19.338  -2.146  -1.282
  232    HB2  LEU  31           HB2      LEU  31  17.307  -0.506  -2.736
  233    HB3  LEU  31           HB1      LEU  31  18.790  -0.993  -3.538
  234    HG   LEU  31           HG       LEU  31  16.963  -2.984  -2.220
  235   HD11  LEU  31          HD11      LEU  31  16.936  -2.080  -5.094
  236   HD12  LEU  31          HD12      LEU  31  15.679  -1.763  -3.899
  237   HD13  LEU  31          HD13      LEU  31  16.005  -3.416  -4.418
  238   HD21  LEU  31          HD21      LEU  31  19.064  -3.244  -4.366
  239   HD22  LEU  31          HD22      LEU  31  18.092  -4.557  -3.698
  240   HD23  LEU  31          HD23      LEU  31  19.250  -3.707  -2.675
  241    H    ASN  32           HN       ASN  32  18.515   1.209  -0.707
  242    HA   ASN  32           HA       ASN  32  20.877   2.280  -1.905
  243    HB2  ASN  32           HB2      ASN  32  18.747   3.432  -0.122
  244    HB3  ASN  32           HB1      ASN  32  20.163   4.368  -0.588
  245   HD21  ASN  32          HD21      ASN  32  18.704   2.005  -2.697
  246   HD22  ASN  32          HD22      ASN  32  18.065   3.132  -3.839
  247    H    LYS  33           HN       LYS  33  20.076   1.114   1.291
  248    HA   LYS  33           HA       LYS  33  22.474   2.303   2.429
  249    HB2  LYS  33           HB2      LYS  33  21.706   1.498   4.558
  250    HB3  LYS  33           HB1      LYS  33  20.357   2.254   3.725
  251    HG2  LYS  33           HG2      LYS  33  19.299   0.401   4.457
  252    HG3  LYS  33           HG1      LYS  33  19.944  -0.256   2.955
  253    HD2  LYS  33           HD2      LYS  33  21.918  -1.078   4.242
  254    HD3  LYS  33           HD1      LYS  33  21.110  -0.551   5.720
  255    HE2  LYS  33           HE2      LYS  33  19.249  -2.054   5.247
  256    HE3  LYS  33           HE1      LYS  33  20.027  -2.561   3.748
  257    HZ1  LYS  33           HZ1      LYS  33  21.076  -2.983   6.494
  258    HZ2  LYS  33           HZ2      LYS  33  21.878  -3.421   5.072
  259    HZ3  LYS  33           HZ3      LYS  33  20.417  -4.168   5.481
  260    H    ARG  34           HN       ARG  34  21.436  -0.727   1.117
  261    HA   ARG  34           HA       ARG  34  23.610  -2.210   2.344
  262    HB2  ARG  34           HB2      ARG  34  22.738  -4.145   1.215
  263    HB3  ARG  34           HB1      ARG  34  21.392  -3.267   1.926
  264    HG2  ARG  34           HG2      ARG  34  20.677  -2.462  -0.168
  265    HG3  ARG  34           HG1      ARG  34  22.186  -2.935  -0.951
  266    HD2  ARG  34           HD2      ARG  34  20.121  -4.806   0.205
  267    HD3  ARG  34           HD1      ARG  34  20.369  -4.472  -1.508
  268    HE   ARG  34           HE       ARG  34  22.756  -5.399  -0.268
  269   HH11  ARG  34          HH11      ARG  34  19.691  -6.461  -1.549
  270   HH12  ARG  34          HH12      ARG  34  20.253  -8.057  -1.914
  271   HH21  ARG  34          HH21      ARG  34  23.499  -7.500  -0.748
  272   HH22  ARG  34          HH22      ARG  34  22.414  -8.647  -1.461
  273    H    LYS  35           HN       LYS  35  23.957   0.087   0.382
  274    HA   LYS  35           HA       LYS  35  24.957  -0.860  -2.051
  275    HB2  LYS  35           HB2      LYS  35  26.278   1.309  -2.046
  276    HB3  LYS  35           HB1      LYS  35  24.535   1.459  -1.879
  277    HG2  LYS  35           HG2      LYS  35  24.859   1.659   0.584
  278    HG3  LYS  35           HG1      LYS  35  26.600   1.701   0.295
  279    HD2  LYS  35           HD2      LYS  35  26.243   3.675  -1.179
  280    HD3  LYS  35           HD1      LYS  35  24.542   3.664  -0.707
  281    HE2  LYS  35           HE2      LYS  35  25.190   3.975   1.631
  282    HE3  LYS  35           HE1      LYS  35  26.890   3.979   1.162
  283    HZ1  LYS  35           HZ1      LYS  35  24.848   5.962   0.312
  284    HZ2  LYS  35           HZ2      LYS  35  26.469   5.961  -0.169
  285    HZ3  LYS  35           HZ3      LYS  35  26.069   6.221   1.454
  Start of MODEL   19
    1    H1   MET   1           HT1      MET   1 -26.149   2.092  -3.417
    2    H2   MET   1           HT2      MET   1 -27.524   1.190  -3.021
    3    H3   MET   1           HT3      MET   1 -26.852   1.071  -4.568
    4    HA   MET   1           HA       MET   1 -26.310  -0.859  -3.226
    5    HB2  MET   1           HB2      MET   1 -24.754   0.033  -4.979
    6    HB3  MET   1           HB1      MET   1 -23.889   0.885  -3.709
    7    HG2  MET   1           HG2      MET   1 -23.322  -1.220  -2.648
    8    HG3  MET   1           HG1      MET   1 -24.245  -2.099  -3.866
    9    HE1  MET   1           HE1      MET   1 -22.156  -1.425  -7.110
   10    HE2  MET   1           HE2      MET   1 -23.539  -0.502  -6.520
   11    HE3  MET   1           HE3      MET   1 -23.547  -2.263  -6.423
   12    H    THR   2           HN       THR   2 -25.267  -1.758  -1.415
   13    HA   THR   2           HA       THR   2 -25.617  -0.320   0.991
   14    HB   THR   2           HB       THR   2 -23.949  -2.432   1.648
   15    HG1  THR   2           HG1      THR   2 -24.225  -2.981  -0.698
   16   HG21  THR   2          HG21      THR   2 -26.054  -1.842   2.749
   17   HG22  THR   2          HG22      THR   2 -26.009  -3.557   2.343
   18   HG23  THR   2          HG23      THR   2 -26.956  -2.442   1.358
   19    H    PHE   3           HN       PHE   3 -24.290   0.947   2.112
   20    HA   PHE   3           HA       PHE   3 -21.825   1.816   1.055
   21    HB2  PHE   3           HB2      PHE   3 -23.483   2.949   2.759
   22    HB3  PHE   3           HB1      PHE   3 -22.472   2.151   3.960
   23    HD1  PHE   3           HD1      PHE   3 -20.677   3.319   4.790
   24    HD2  PHE   3           HD2      PHE   3 -22.120   4.234   0.895
   25    HE1  PHE   3           HE1      PHE   3 -19.041   5.149   4.619
   26    HE2  PHE   3           HE2      PHE   3 -20.488   6.063   0.714
   27    HZ   PHE   3           HZ       PHE   3 -18.944   6.525   2.578
   28    H    ALA   4           HN       ALA   4 -22.685  -0.613   3.426
   29    HA   ALA   4           HA       ALA   4 -20.079  -1.041   4.457
   30    HB1  ALA   4           HB1      ALA   4 -22.056  -1.752   5.676
   31    HB2  ALA   4           HB2      ALA   4 -21.004  -3.132   5.357
   32    HB3  ALA   4           HB3      ALA   4 -22.461  -2.891   4.392
   33    H    GLU   5           HN       GLU   5 -21.923  -2.494   1.815
   34    HA   GLU   5           HA       GLU   5 -20.007  -4.504   1.216
   35    HB2  GLU   5           HB2      GLU   5 -22.246  -3.314  -0.423
   36    HB3  GLU   5           HB1      GLU   5 -21.251  -4.658  -0.969
   37    HG2  GLU   5           HG2      GLU   5 -23.002  -4.636   1.478
   38    HG3  GLU   5           HG1      GLU   5 -23.363  -5.432  -0.053
   39    H    LEU   6           HN       LEU   6 -20.556  -1.216   0.068
   40    HA   LEU   6           HA       LEU   6 -18.432  -1.404  -1.888
   41    HB2  LEU   6           HB2      LEU   6 -20.560   0.031  -2.063
   42    HB3  LEU   6           HB1      LEU   6 -19.755   1.130  -0.957
   43    HG   LEU   6           HG       LEU   6 -18.212   0.361  -3.362
   44   HD11  LEU   6          HD11      LEU   6 -20.603   2.191  -3.515
   45   HD12  LEU   6          HD12      LEU   6 -20.441   0.626  -4.310
   46   HD13  LEU   6          HD13      LEU   6 -19.392   1.964  -4.777
   47   HD21  LEU   6          HD21      LEU   6 -17.239   1.927  -1.853
   48   HD22  LEU   6          HD22      LEU   6 -18.709   2.898  -1.818
   49   HD23  LEU   6          HD23      LEU   6 -17.737   2.824  -3.287
   50    H    GLY   7           HN       GLY   7 -18.685  -0.817   1.426
   51    HA2  GLY   7           HA2      GLY   7 -16.591   1.079   1.755
   52    HA3  GLY   7           HA1      GLY   7 -17.245   0.033   3.005
   53    H    MET   8           HN       MET   8 -16.674  -2.465   1.902
   54    HA   MET   8           HA       MET   8 -13.927  -2.710   2.616
   55    HB2  MET   8           HB2      MET   8 -15.826  -4.735   1.416
   56    HB3  MET   8           HB1      MET   8 -14.239  -5.108   2.075
   57    HG2  MET   8           HG2      MET   8 -16.582  -3.992   3.597
   58    HG3  MET   8           HG1      MET   8 -15.981  -5.647   3.663
   59    HE1  MET   8           HE1      MET   8 -16.455  -3.670   6.216
   60    HE2  MET   8           HE2      MET   8 -15.051  -4.126   7.180
   61    HE3  MET   8           HE3      MET   8 -15.976  -5.364   6.331
   62    H    ALA   9           HN       ALA   9 -15.703  -3.038  -0.440
   63    HA   ALA   9           HA       ALA   9 -13.497  -3.747  -2.033
   64    HB1  ALA   9           HB1      ALA   9 -15.807  -4.050  -2.762
   65    HB2  ALA   9           HB2      ALA   9 -14.891  -3.100  -3.934
   66    HB3  ALA   9           HB3      ALA   9 -16.019  -2.301  -2.838
   67    H    PHE  10           HN       PHE  10 -14.904  -0.599  -1.232
   68    HA   PHE  10           HA       PHE  10 -13.174   0.916  -2.899
   69    HB2  PHE  10           HB2      PHE  10 -15.212   1.949  -2.302
   70    HB3  PHE  10           HB1      PHE  10 -14.979   1.614  -0.592
   71    HD1  PHE  10           HD1      PHE  10 -14.830   3.561   0.575
   72    HD2  PHE  10           HD2      PHE  10 -12.846   3.270  -3.179
   73    HE1  PHE  10           HE1      PHE  10 -13.891   5.812   0.902
   74    HE2  PHE  10           HE2      PHE  10 -11.904   5.521  -2.860
   75    HZ   PHE  10           HZ       PHE  10 -12.427   6.796  -0.817
   76    H    TRP  11           HN       TRP  11 -13.107   0.113   0.568
   77    HA   TRP  11           HA       TRP  11 -10.811   1.635   1.170
   78    HB2  TRP  11           HB2      TRP  11 -12.375  -0.475   2.521
   79    HB3  TRP  11           HB1      TRP  11 -10.697  -0.329   3.031
   80    HD1  TRP  11           HD1      TRP  11 -14.007   1.033   3.797
   81    HE1  TRP  11           HE1      TRP  11 -13.818   3.189   5.192
   82    HE3  TRP  11           HE3      TRP  11  -9.034   2.007   3.114
   83    HZ2  TRP  11           HZ2      TRP  11 -11.823   5.056   5.906
   84    HZ3  TRP  11           HZ3      TRP  11  -8.064   3.997   4.187
   85    HH2  TRP  11           HH2      TRP  11  -9.430   5.489   5.552
   86    H    HIS  12           HN       HIS  12 -11.223  -1.733   0.189
   87    HA   HIS  12           HA       HIS  12  -8.488  -2.439   0.430
   88    HB2  HIS  12           HB2      HIS  12 -10.756  -3.665  -1.147
   89    HB3  HIS  12           HB1      HIS  12  -9.145  -4.372  -1.061
   90    HD1  HIS  12           HD1      HIS  12 -10.601  -2.841   2.028
   91    HD2  HIS  12           HD2      HIS  12 -10.159  -6.592   0.297
   92    HE1  HIS  12           HE1      HIS  12 -11.171  -4.524   3.828
   93    H    ASP  13           HN       ASP  13 -10.460  -1.238  -2.241
   94    HA   ASP  13           HA       ASP  13  -8.501  -1.519  -4.255
   95    HB2  ASP  13           HB2      ASP  13 -10.920  -1.228  -4.711
   96    HB3  ASP  13           HB1      ASP  13 -10.808   0.435  -4.141
   97    H    LEU  14           HN       LEU  14  -9.377   1.191  -2.133
   98    HA   LEU  14           HA       LEU  14  -7.472   2.972  -3.299
   99    HB2  LEU  14           HB2      LEU  14  -8.112   4.544  -1.701
  100    HB3  LEU  14           HB1      LEU  14  -9.567   3.636  -2.041
  101    HG   LEU  14           HG       LEU  14  -8.814   2.264   0.086
  102   HD11  LEU  14          HD11      LEU  14  -6.696   3.432   0.368
  103   HD12  LEU  14          HD12      LEU  14  -7.759   3.710   1.749
  104   HD13  LEU  14          HD13      LEU  14  -7.553   4.964   0.525
  105   HD21  LEU  14          HD21      LEU  14 -10.087   4.996   0.193
  106   HD22  LEU  14          HD22      LEU  14 -10.204   3.760   1.445
  107   HD23  LEU  14          HD23      LEU  14 -10.913   3.475  -0.144
  108    H    ALA  15           HN       ALA  15  -7.425   0.643  -0.725
  109    HA   ALA  15           HA       ALA  15  -5.044   1.555   0.528
  110    HB1  ALA  15           HB1      ALA  15  -5.060  -0.561   1.705
  111    HB2  ALA  15           HB2      ALA  15  -6.260  -1.203   0.582
  112    HB3  ALA  15           HB3      ALA  15  -6.684   0.124   1.664
  113    H    ALA  16           HN       ALA  16  -5.707  -0.664  -2.117
  114    HA   ALA  16           HA       ALA  16  -3.370  -2.074  -2.308
  115    HB1  ALA  16           HB1      ALA  16  -4.934  -0.937  -4.622
  116    HB2  ALA  16           HB2      ALA  16  -5.294  -2.436  -3.767
  117    HB3  ALA  16           HB3      ALA  16  -3.800  -2.285  -4.694
  118    HA   PRO  17           HA       PRO  17  -1.160   1.437  -4.771
  119    HB2  PRO  17           HB2      PRO  17  -2.273   3.918  -4.778
  120    HB3  PRO  17           HB1      PRO  17  -2.659   2.693  -6.003
  121    HG2  PRO  17           HG2      PRO  17  -4.207   3.489  -3.586
  122    HG3  PRO  17           HG1      PRO  17  -4.777   3.137  -5.230
  123    HD2  PRO  17           HD2      PRO  17  -4.951   1.343  -3.215
  124    HD3  PRO  17           HD1      PRO  17  -4.733   0.870  -4.910
  125    H    VAL  18           HN       VAL  18  -2.884   2.216  -1.826
  126    HA   VAL  18           HA       VAL  18  -1.062   4.167  -0.842
  127    HB   VAL  18           HB       VAL  18  -3.083   2.442   0.595
  128   HG11  VAL  18          HG11      VAL  18  -2.844   4.016   2.472
  129   HG12  VAL  18          HG12      VAL  18  -1.492   4.782   1.638
  130   HG13  VAL  18          HG13      VAL  18  -1.366   3.104   2.169
  131   HG21  VAL  18          HG21      VAL  18  -3.854   4.162  -1.111
  132   HG22  VAL  18          HG22      VAL  18  -3.244   5.386   0.004
  133   HG23  VAL  18          HG23      VAL  18  -4.536   4.296   0.510
  134    H    ILE  19           HN       ILE  19  -1.479   0.706  -0.200
  135    HA   ILE  19           HA       ILE  19   0.664   0.510   1.651
  136    HB   ILE  19           HB       ILE  19  -0.580  -1.707   0.021
  137   HG12  ILE  19          HG12      ILE  19  -1.353  -0.972   2.833
  138   HG13  ILE  19          HG11      ILE  19  -2.122  -0.188   1.457
  139   HG21  ILE  19          HG21      ILE  19   0.921  -1.748   2.637
  140   HG22  ILE  19          HG22      ILE  19   1.515  -2.334   1.084
  141   HG23  ILE  19          HG23      ILE  19   0.158  -3.141   1.870
  142   HD11  ILE  19          HD11      ILE  19  -2.887  -2.343   0.641
  143   HD12  ILE  19          HD12      ILE  19  -3.439  -2.057   2.291
  144   HD13  ILE  19          HD13      ILE  19  -2.087  -3.149   1.990
  145    H    ALA  20           HN       ALA  20   0.346  -0.212  -1.806
  146    HA   ALA  20           HA       ALA  20   2.862  -1.353  -2.218
  147    HB1  ALA  20           HB1      ALA  20   1.029  -1.414  -3.859
  148    HB2  ALA  20           HB2      ALA  20   2.543  -0.849  -4.567
  149    HB3  ALA  20           HB3      ALA  20   1.270   0.306  -4.171
  150    H    GLY  21           HN       GLY  21   1.861   2.026  -2.109
  151    HA2  GLY  21           HA2      GLY  21   4.261   3.141  -3.109
  152    HA3  GLY  21           HA1      GLY  21   3.075   3.979  -2.118
  153    H    ILE  22           HN       ILE  22   3.164   2.487   0.198
  154    HA   ILE  22           HA       ILE  22   5.466   3.542   1.469
  155    HB   ILE  22           HB       ILE  22   3.536   1.461   2.509
  156   HG12  ILE  22          HG12      ILE  22   3.489   4.451   2.958
  157   HG13  ILE  22          HG11      ILE  22   2.512   3.638   1.739
  158   HG21  ILE  22          HG21      ILE  22   5.601   1.552   3.791
  159   HG22  ILE  22          HG22      ILE  22   4.262   2.220   4.725
  160   HG23  ILE  22          HG23      ILE  22   5.433   3.299   3.966
  161   HD11  ILE  22          HD11      ILE  22   2.381   3.132   4.702
  162   HD12  ILE  22          HD12      ILE  22   1.374   2.376   3.467
  163   HD13  ILE  22          HD13      ILE  22   1.246   4.108   3.770
  164    H    LEU  23           HN       LEU  23   4.588   0.362   0.265
  165    HA   LEU  23           HA       LEU  23   6.678  -1.110   1.440
  166    HB2  LEU  23           HB2      LEU  23   4.748  -2.213   0.503
  167    HB3  LEU  23           HB1      LEU  23   5.095  -1.565  -1.087
  168    HG   LEU  23           HG       LEU  23   7.106  -2.940  -1.235
  169   HD11  LEU  23          HD11      LEU  23   7.566  -4.649   0.465
  170   HD12  LEU  23          HD12      LEU  23   6.283  -3.981   1.473
  171   HD13  LEU  23          HD13      LEU  23   7.715  -3.016   1.115
  172   HD21  LEU  23          HD21      LEU  23   6.015  -5.128  -1.371
  173   HD22  LEU  23          HD22      LEU  23   5.003  -3.852  -2.049
  174   HD23  LEU  23          HD23      LEU  23   4.650  -4.501  -0.447
  175    H    ALA  24           HN       ALA  24   6.462   0.782  -1.507
  176    HA   ALA  24           HA       ALA  24   8.865  -0.071  -2.709
  177    HB1  ALA  24           HB1      ALA  24   8.697   2.011  -4.024
  178    HB2  ALA  24           HB2      ALA  24   7.391   2.548  -2.965
  179    HB3  ALA  24           HB3      ALA  24   7.178   1.116  -3.972
  180    H    SER  25           HN       SER  25   8.140   2.576  -0.474
  181    HA   SER  25           HA       SER  25  10.650   3.800  -0.460
  182    HB2  SER  25           HB2      SER  25   8.655   3.571   1.810
  183    HB3  SER  25           HB1      SER  25   9.993   4.718   1.737
  184    HG   SER  25           HG       SER  25   7.717   4.586   0.056
  185    H    MET  26           HN       MET  26   9.434   0.989   1.243
  186    HA   MET  26           HA       MET  26  11.562   0.683   3.069
  187    HB2  MET  26           HB2      MET  26   9.777  -1.443   1.866
  188    HB3  MET  26           HB1      MET  26  10.757  -1.621   3.316
  189    HG2  MET  26           HG2      MET  26   9.431  -0.011   4.486
  190    HG3  MET  26           HG1      MET  26   8.538   0.386   3.020
  191    HE1  MET  26           HE1      MET  26   8.242  -3.700   5.150
  192    HE2  MET  26           HE2      MET  26   9.238  -2.370   5.742
  193    HE3  MET  26           HE3      MET  26   9.656  -3.181   4.233
  194    H    ILE  27           HN       ILE  27  10.987  -0.623  -0.170
  195    HA   ILE  27           HA       ILE  27  13.282  -2.243  -0.310
  196    HB   ILE  27           HB       ILE  27  11.828  -0.893  -2.590
  197   HG12  ILE  27          HG12      ILE  27  11.424  -3.642  -1.384
  198   HG13  ILE  27          HG11      ILE  27  10.350  -2.267  -1.149
  199   HG21  ILE  27          HG21      ILE  27  13.631  -3.312  -2.562
  200   HG22  ILE  27          HG22      ILE  27  14.028  -1.728  -3.227
  201   HG23  ILE  27          HG23      ILE  27  12.752  -2.697  -3.962
  202   HD11  ILE  27          HD11      ILE  27   9.454  -3.781  -2.806
  203   HD12  ILE  27          HD12      ILE  27  10.931  -3.643  -3.761
  204   HD13  ILE  27          HD13      ILE  27   9.881  -2.240  -3.552
  205    H    VAL  28           HN       VAL  28  12.696   1.098  -1.387
  206    HA   VAL  28           HA       VAL  28  15.238   1.544  -2.500
  207    HB   VAL  28           HB       VAL  28  13.426   3.589  -1.205
  208   HG11  VAL  28          HG11      VAL  28  15.698   4.410  -1.563
  209   HG12  VAL  28          HG12      VAL  28  14.563   5.193  -2.664
  210   HG13  VAL  28          HG13      VAL  28  15.621   3.909  -3.253
  211   HG21  VAL  28          HG21      VAL  28  12.263   2.305  -2.929
  212   HG22  VAL  28          HG22      VAL  28  13.559   2.657  -4.072
  213   HG23  VAL  28          HG23      VAL  28  12.548   3.964  -3.455
  214    H    ASN  29           HN       ASN  29  14.012   1.977   0.786
  215    HA   ASN  29           HA       ASN  29  16.277   3.249   1.865
  216    HB2  ASN  29           HB2      ASN  29  14.140   1.532   3.135
  217    HB3  ASN  29           HB1      ASN  29  15.393   2.345   4.066
  218   HD21  ASN  29          HD21      ASN  29  15.426   4.661   2.282
  219   HD22  ASN  29          HD22      ASN  29  13.999   5.562   2.648
  220    H    TRP  30           HN       TRP  30  15.477  -0.117   1.335
  221    HA   TRP  30           HA       TRP  30  17.613  -1.220   2.846
  222    HB2  TRP  30           HB2      TRP  30  15.874  -2.720   2.460
  223    HB3  TRP  30           HB1      TRP  30  15.713  -2.257   0.771
  224    HD1  TRP  30           HD1      TRP  30  18.534  -3.929   2.882
  225    HE1  TRP  30           HE1      TRP  30  19.472  -5.891   1.503
  226    HE3  TRP  30           HE3      TRP  30  15.614  -3.458  -1.287
  227    HZ2  TRP  30           HZ2      TRP  30  19.029  -7.081  -1.022
  228    HZ3  TRP  30           HZ3      TRP  30  15.932  -5.046  -3.139
  229    HH2  TRP  30           HH2      TRP  30  17.605  -6.820  -3.008
  230    H    LEU  31           HN       LEU  31  17.178  -0.653  -0.643
  231    HA   LEU  31           HA       LEU  31  19.702  -1.607  -1.427
  232    HB2  LEU  31           HB2      LEU  31  17.610   0.102  -2.662
  233    HB3  LEU  31           HB1      LEU  31  19.202   0.099  -3.397
  234    HG   LEU  31           HG       LEU  31  17.631  -2.419  -2.876
  235   HD11  LEU  31          HD11      LEU  31  17.046  -2.376  -5.246
  236   HD12  LEU  31          HD12      LEU  31  17.803  -0.791  -5.406
  237   HD13  LEU  31          HD13      LEU  31  16.373  -0.987  -4.393
  238   HD21  LEU  31          HD21      LEU  31  20.013  -1.817  -4.625
  239   HD22  LEU  31          HD22      LEU  31  19.175  -3.366  -4.532
  240   HD23  LEU  31          HD23      LEU  31  20.028  -2.738  -3.121
  241    H    ASN  32           HN       ASN  32  18.683   1.464  -0.133
  242    HA   ASN  32           HA       ASN  32  20.928   2.985  -0.949
  243    HB2  ASN  32           HB2      ASN  32  18.943   3.337   1.296
  244    HB3  ASN  32           HB1      ASN  32  20.234   4.493   0.982
  245   HD21  ASN  32          HD21      ASN  32  17.363   4.870   0.867
  246   HD22  ASN  32          HD22      ASN  32  17.005   5.391  -0.741
  247    H    LYS  33           HN       LYS  33  20.441   0.660   1.548
  248    HA   LYS  33           HA       LYS  33  22.671   1.499   3.164
  249    HB2  LYS  33           HB2      LYS  33  20.956   0.410   4.354
  250    HB3  LYS  33           HB1      LYS  33  20.861  -0.899   3.182
  251    HG2  LYS  33           HG2      LYS  33  23.071  -1.682   3.887
  252    HG3  LYS  33           HG1      LYS  33  23.141  -0.382   5.079
  253    HD2  LYS  33           HD2      LYS  33  21.335  -1.289   6.304
  254    HD3  LYS  33           HD1      LYS  33  20.935  -2.418   5.008
  255    HE2  LYS  33           HE2      LYS  33  23.567  -2.473   6.462
  256    HE3  LYS  33           HE1      LYS  33  22.161  -3.386   7.009
  257    HZ1  LYS  33           HZ1      LYS  33  22.131  -4.546   4.897
  258    HZ2  LYS  33           HZ2      LYS  33  23.640  -4.728   5.639
  259    HZ3  LYS  33           HZ3      LYS  33  23.458  -3.650   4.349
  260    H    ARG  34           HN       ARG  34  22.003  -1.164   0.918
  261    HA   ARG  34           HA       ARG  34  24.734  -2.098   1.074
  262    HB2  ARG  34           HB2      ARG  34  23.938  -3.741  -0.677
  263    HB3  ARG  34           HB1      ARG  34  23.110  -3.811   0.872
  264    HG2  ARG  34           HG2      ARG  34  21.222  -2.612  -0.034
  265    HG3  ARG  34           HG1      ARG  34  22.061  -2.397  -1.572
  266    HD2  ARG  34           HD2      ARG  34  20.402  -4.238  -1.602
  267    HD3  ARG  34           HD1      ARG  34  22.043  -4.765  -1.975
  268    HE   ARG  34           HE       ARG  34  21.119  -5.033   0.781
  269   HH11  ARG  34          HH11      ARG  34  21.851  -6.532  -2.277
  270   HH12  ARG  34          HH12      ARG  34  21.956  -8.129  -1.615
  271   HH21  ARG  34          HH21      ARG  34  21.255  -7.130   1.662
  272   HH22  ARG  34          HH22      ARG  34  21.616  -8.469   0.625
  273    H    LYS  35           HN       LYS  35  25.235   0.281   0.306
  274    HA   LYS  35           HA       LYS  35  24.921   1.063  -2.341
  275    HB2  LYS  35           HB2      LYS  35  27.247   1.614  -0.489
  276    HB3  LYS  35           HB1      LYS  35  26.931   2.472  -1.990
  277    HG2  LYS  35           HG2      LYS  35  25.913   3.935  -0.627
  278    HG3  LYS  35           HG1      LYS  35  24.564   2.804  -0.755
  279    HD2  LYS  35           HD2      LYS  35  24.837   3.258   1.554
  280    HD3  LYS  35           HD1      LYS  35  25.502   1.647   1.283
  281    HE2  LYS  35           HE2      LYS  35  27.755   2.570   1.229
  282    HE3  LYS  35           HE1      LYS  35  27.107   4.196   1.446
  283    HZ1  LYS  35           HZ1      LYS  35  27.920   3.289   3.527
  284    HZ2  LYS  35           HZ2      LYS  35  26.875   1.966   3.395
  285    HZ3  LYS  35           HZ3      LYS  35  26.246   3.522   3.603
  Start of MODEL   20
    1    H1   MET   1           HT1      MET   1 -27.443   1.135   4.539
    2    H2   MET   1           HT2      MET   1 -27.267  -0.337   3.724
    3    H3   MET   1           HT3      MET   1 -28.116   0.934   2.999
    4    HA   MET   1           HA       MET   1 -26.115   2.260   2.888
    5    HB2  MET   1           HB2      MET   1 -25.075   1.154   4.896
    6    HB3  MET   1           HB1      MET   1 -24.703  -0.224   3.870
    7    HG2  MET   1           HG2      MET   1 -22.775   1.229   4.145
    8    HG3  MET   1           HG1      MET   1 -23.302   1.169   2.465
    9    HE1  MET   1           HE1      MET   1 -24.936   3.183   5.443
   10    HE2  MET   1           HE2      MET   1 -24.104   4.730   5.293
   11    HE3  MET   1           HE3      MET   1 -23.205   3.287   5.762
   12    H    THR   2           HN       THR   2 -24.635   2.083   1.092
   13    HA   THR   2           HA       THR   2 -25.559   0.081  -0.839
   14    HB   THR   2           HB       THR   2 -23.822   2.087  -1.967
   15    HG1  THR   2           HG1      THR   2 -24.870   3.160  -0.007
   16   HG21  THR   2          HG21      THR   2 -26.759   1.492  -2.306
   17   HG22  THR   2          HG22      THR   2 -25.438   0.769  -3.226
   18   HG23  THR   2          HG23      THR   2 -25.785   2.492  -3.383
   19    H    PHE   3           HN       PHE   3 -24.209  -1.318  -1.854
   20    HA   PHE   3           HA       PHE   3 -21.780  -2.021  -0.624
   21    HB2  PHE   3           HB2      PHE   3 -23.381  -3.407  -2.171
   22    HB3  PHE   3           HB1      PHE   3 -22.367  -2.777  -3.466
   23    HD1  PHE   3           HD1      PHE   3 -22.031  -4.390  -0.132
   24    HD2  PHE   3           HD2      PHE   3 -20.538  -4.021  -4.098
   25    HE1  PHE   3           HE1      PHE   3 -20.371  -6.143   0.336
   26    HE2  PHE   3           HE2      PHE   3 -18.874  -5.777  -3.639
   27    HZ   PHE   3           HZ       PHE   3 -18.789  -6.841  -1.419
   28    H    ALA   4           HN       ALA   4 -22.558   0.014  -3.365
   29    HA   ALA   4           HA       ALA   4 -19.922   0.308  -4.361
   30    HB1  ALA   4           HB1      ALA   4 -21.898   0.848  -5.702
   31    HB2  ALA   4           HB2      ALA   4 -20.805   2.228  -5.588
   32    HB3  ALA   4           HB3      ALA   4 -22.274   2.184  -4.613
   33    H    GLU   5           HN       GLU   5 -21.824   2.008  -1.937
   34    HA   GLU   5           HA       GLU   5 -20.015   4.156  -1.550
   35    HB2  GLU   5           HB2      GLU   5 -22.148   2.986   0.240
   36    HB3  GLU   5           HB1      GLU   5 -21.234   4.431   0.640
   37    HG2  GLU   5           HG2      GLU   5 -22.069   5.327  -1.618
   38    HG3  GLU   5           HG1      GLU   5 -23.250   4.024  -1.527
   39    H    LEU   6           HN       LEU   6 -20.442   1.014   0.009
   40    HA   LEU   6           HA       LEU   6 -18.296   1.447   1.879
   41    HB2  LEU   6           HB2      LEU   6 -20.346  -0.043   2.221
   42    HB3  LEU   6           HB1      LEU   6 -19.556  -1.191   1.156
   43    HG   LEU   6           HG       LEU   6 -17.934  -0.260   3.442
   44   HD11  LEU   6          HD11      LEU   6 -20.164  -0.471   4.460
   45   HD12  LEU   6          HD12      LEU   6 -19.044  -1.705   5.036
   46   HD13  LEU   6          HD13      LEU   6 -20.274  -2.119   3.842
   47   HD21  LEU   6          HD21      LEU   6 -17.140  -1.954   1.865
   48   HD22  LEU   6          HD22      LEU   6 -18.524  -2.972   2.259
   49   HD23  LEU   6          HD23      LEU   6 -17.310  -2.621   3.489
   50    H    GLY   7           HN       GLY   7 -18.536   0.574  -1.368
   51    HA2  GLY   7           HA2      GLY   7 -16.398  -1.275  -1.584
   52    HA3  GLY   7           HA1      GLY   7 -17.060  -0.308  -2.892
   53    H    MET   8           HN       MET   8 -16.515   2.244  -2.120
   54    HA   MET   8           HA       MET   8 -13.768   2.469  -2.772
   55    HB2  MET   8           HB2      MET   8 -15.675   4.571  -1.726
   56    HB3  MET   8           HB1      MET   8 -14.106   4.892  -2.450
   57    HG2  MET   8           HG2      MET   8 -16.435   3.585  -3.838
   58    HG3  MET   8           HG1      MET   8 -15.950   5.271  -4.011
   59    HE1  MET   8           HE1      MET   8 -16.318   3.176  -6.480
   60    HE2  MET   8           HE2      MET   8 -14.947   3.686  -7.465
   61    HE3  MET   8           HE3      MET   8 -15.941   4.891  -6.645
   62    H    ALA   9           HN       ALA   9 -15.553   3.029   0.252
   63    HA   ALA   9           HA       ALA   9 -13.377   3.921   1.781
   64    HB1  ALA   9           HB1      ALA   9 -15.707   4.179   2.480
   65    HB2  ALA   9           HB2      ALA   9 -14.741   3.389   3.726
   66    HB3  ALA   9           HB3      ALA   9 -15.828   2.435   2.718
   67    H    PHE  10           HN       PHE  10 -14.702   0.658   1.339
   68    HA   PHE  10           HA       PHE  10 -12.864  -0.616   3.086
   69    HB2  PHE  10           HB2      PHE  10 -14.872  -1.775   2.699
   70    HB3  PHE  10           HB1      PHE  10 -14.745  -1.594   0.954
   71    HD1  PHE  10           HD1      PHE  10 -12.442  -2.946   3.574
   72    HD2  PHE  10           HD2      PHE  10 -14.559  -3.622  -0.055
   73    HE1  PHE  10           HE1      PHE  10 -11.436  -5.184   3.409
   74    HE2  PHE  10           HE2      PHE  10 -13.554  -5.861  -0.229
   75    HZ   PHE  10           HZ       PHE  10 -11.991  -6.646   1.506
   76    H    TRP  11           HN       TRP  11 -12.939  -0.210  -0.449
   77    HA   TRP  11           HA       TRP  11 -10.644  -1.750  -0.976
   78    HB2  TRP  11           HB2      TRP  11 -12.247   0.241  -2.478
   79    HB3  TRP  11           HB1      TRP  11 -10.606  -0.045  -3.047
   80    HD1  TRP  11           HD1      TRP  11 -14.009  -1.330  -3.463
   81    HE1  TRP  11           HE1      TRP  11 -13.993  -3.638  -4.602
   82    HE3  TRP  11           HE3      TRP  11  -9.044  -2.452  -2.957
   83    HZ2  TRP  11           HZ2      TRP  11 -12.124  -5.665  -5.208
   84    HZ3  TRP  11           HZ3      TRP  11  -8.224  -4.596  -3.846
   85    HH2  TRP  11           HH2      TRP  11  -9.734  -6.168  -4.946
   86    H    HIS  12           HN       HIS  12 -11.069   1.697  -0.352
   87    HA   HIS  12           HA       HIS  12  -8.358   2.405  -0.769
   88    HB2  HIS  12           HB2      HIS  12 -10.638   3.753   0.668
   89    HB3  HIS  12           HB1      HIS  12  -9.030   4.466   0.593
   90    HD1  HIS  12           HD1      HIS  12 -10.634   2.700  -2.342
   91    HD2  HIS  12           HD2      HIS  12  -9.690   6.538  -1.064
   92    HE1  HIS  12           HE1      HIS  12 -11.035   4.226  -4.319
   93    H    ASP  13           HN       ASP  13 -10.212   1.472   2.086
   94    HA   ASP  13           HA       ASP  13  -8.193   2.013   3.983
   95    HB2  ASP  13           HB2      ASP  13 -10.546   1.735   4.612
   96    HB3  ASP  13           HB1      ASP  13 -10.484   0.043   4.131
   97    H    LEU  14           HN       LEU  14  -9.067  -0.935   2.208
   98    HA   LEU  14           HA       LEU  14  -7.063  -2.527   3.475
   99    HB2  LEU  14           HB2      LEU  14  -7.739  -4.283   2.105
  100    HB3  LEU  14           HB1      LEU  14  -9.199  -3.361   2.379
  101    HG   LEU  14           HG       LEU  14  -8.502  -2.241   0.079
  102   HD11  LEU  14          HD11      LEU  14  -6.396  -3.564  -0.019
  103   HD12  LEU  14          HD12      LEU  14  -7.444  -3.778  -1.422
  104   HD13  LEU  14          HD13      LEU  14  -7.374  -5.022  -0.174
  105   HD21  LEU  14          HD21      LEU  14 -10.609  -3.355   0.494
  106   HD22  LEU  14          HD22      LEU  14  -9.828  -4.933   0.386
  107   HD23  LEU  14          HD23      LEU  14  -9.939  -3.905  -1.042
  108    H    ALA  15           HN       ALA  15  -7.200  -0.497   0.664
  109    HA   ALA  15           HA       ALA  15  -4.850  -1.474  -0.600
  110    HB1  ALA  15           HB1      ALA  15  -6.599  -0.220  -1.790
  111    HB2  ALA  15           HB2      ALA  15  -4.997   0.485  -2.005
  112    HB3  ALA  15           HB3      ALA  15  -6.147   1.230  -0.894
  113    H    ALA  16           HN       ALA  16  -5.463   1.004   1.817
  114    HA   ALA  16           HA       ALA  16  -3.151   2.477   1.720
  115    HB1  ALA  16           HB1      ALA  16  -3.522   3.069   4.009
  116    HB2  ALA  16           HB2      ALA  16  -4.501   1.628   4.276
  117    HB3  ALA  16           HB3      ALA  16  -5.088   2.907   3.213
  118    HA   PRO  17           HA       PRO  17  -0.781  -0.659   4.513
  119    HB2  PRO  17           HB2      PRO  17  -1.838  -3.126   4.909
  120    HB3  PRO  17           HB1      PRO  17  -2.224  -1.748   5.958
  121    HG2  PRO  17           HG2      PRO  17  -3.810  -2.907   3.719
  122    HG3  PRO  17           HG1      PRO  17  -4.349  -2.349   5.316
  123    HD2  PRO  17           HD2      PRO  17  -4.617  -0.849   3.079
  124    HD3  PRO  17           HD1      PRO  17  -4.379  -0.147   4.689
  125    H    VAL  18           HN       VAL  18  -2.609  -1.872   1.778
  126    HA   VAL  18           HA       VAL  18  -0.792  -3.911   0.999
  127    HB   VAL  18           HB       VAL  18  -2.909  -2.408  -0.542
  128   HG11  VAL  18          HG11      VAL  18  -1.239  -4.749  -1.450
  129   HG12  VAL  18          HG12      VAL  18  -1.244  -3.124  -2.137
  130   HG13  VAL  18          HG13      VAL  18  -2.675  -4.144  -2.278
  131   HG21  VAL  18          HG21      VAL  18  -2.876  -5.276   0.374
  132   HG22  VAL  18          HG22      VAL  18  -4.240  -4.362  -0.273
  133   HG23  VAL  18          HG23      VAL  18  -3.582  -3.962   1.314
  134    H    ILE  19           HN       ILE  19  -1.269  -0.569  -0.072
  135    HA   ILE  19           HA       ILE  19   0.837  -0.585  -1.977
  136    HB   ILE  19           HB       ILE  19  -0.490   1.760  -0.611
  137   HG12  ILE  19          HG12      ILE  19  -1.092   0.757  -3.379
  138   HG13  ILE  19          HG11      ILE  19  -1.891   0.050  -1.978
  139   HG21  ILE  19          HG21      ILE  19   0.279   3.039  -2.575
  140   HG22  ILE  19          HG22      ILE  19   1.172   1.620  -3.124
  141   HG23  ILE  19          HG23      ILE  19   1.615   2.410  -1.610
  142   HD11  ILE  19          HD11      ILE  19  -3.211   1.812  -3.079
  143   HD12  ILE  19          HD12      ILE  19  -1.945   2.974  -2.680
  144   HD13  ILE  19          HD13      ILE  19  -2.845   2.173  -1.392
  145    H    ALA  20           HN       ALA  20   0.557   0.703   1.325
  146    HA   ALA  20           HA       ALA  20   3.130   1.794   1.515
  147    HB1  ALA  20           HB1      ALA  20   1.431   0.656   3.734
  148    HB2  ALA  20           HB2      ALA  20   1.312   2.293   3.088
  149    HB3  ALA  20           HB3      ALA  20   2.779   1.778   3.921
  150    H    GLY  21           HN       GLY  21   1.944  -1.474   2.065
  151    HA2  GLY  21           HA2      GLY  21   4.263  -2.499   3.318
  152    HA3  GLY  21           HA1      GLY  21   3.037  -3.448   2.492
  153    H    ILE  22           HN       ILE  22   3.240  -2.487  -0.084
  154    HA   ILE  22           HA       ILE  22   5.498  -3.909  -1.040
  155    HB   ILE  22           HB       ILE  22   3.682  -2.011  -2.538
  156   HG12  ILE  22          HG12      ILE  22   3.563  -5.028  -2.397
  157   HG13  ILE  22          HG11      ILE  22   2.580  -3.971  -1.390
  158   HG21  ILE  22          HG21      ILE  22   5.766  -2.393  -3.727
  159   HG22  ILE  22          HG22      ILE  22   4.436  -3.215  -4.542
  160   HG23  ILE  22          HG23      ILE  22   5.567  -4.137  -3.552
  161   HD11  ILE  22          HD11      ILE  22   1.539  -3.034  -3.382
  162   HD12  ILE  22          HD12      ILE  22   1.335  -4.784  -3.310
  163   HD13  ILE  22          HD13      ILE  22   2.533  -4.080  -4.396
  164    H    LEU  23           HN       LEU  23   4.768  -0.484  -0.649
  165    HA   LEU  23           HA       LEU  23   7.040   0.510  -1.999
  166    HB2  LEU  23           HB2      LEU  23   5.161   1.949  -1.606
  167    HB3  LEU  23           HB1      LEU  23   5.277   1.715   0.128
  168    HG   LEU  23           HG       LEU  23   7.411   2.934   0.153
  169   HD11  LEU  23          HD11      LEU  23   8.193   2.400  -2.086
  170   HD12  LEU  23          HD12      LEU  23   8.148   4.146  -1.844
  171   HD13  LEU  23          HD13      LEU  23   6.885   3.354  -2.786
  172   HD21  LEU  23          HD21      LEU  23   5.189   4.442  -1.217
  173   HD22  LEU  23          HD22      LEU  23   6.511   5.151  -0.291
  174   HD23  LEU  23          HD23      LEU  23   5.314   4.139   0.515
  175    H    ALA  24           HN       ALA  24   6.444  -0.403   1.350
  176    HA   ALA  24           HA       ALA  24   8.778   0.624   2.496
  177    HB1  ALA  24           HB1      ALA  24   7.231  -1.838   3.296
  178    HB2  ALA  24           HB2      ALA  24   6.894  -0.188   3.817
  179    HB3  ALA  24           HB3      ALA  24   8.396  -0.977   4.302
  180    H    SER  25           HN       SER  25   8.150  -2.504   0.955
  181    HA   SER  25           HA       SER  25  10.673  -3.641   1.522
  182    HB2  SER  25           HB2      SER  25   8.728  -4.266  -0.712
  183    HB3  SER  25           HB1      SER  25  10.102  -5.272  -0.252
  184    HG   SER  25           HG       SER  25   7.885  -4.595   1.389
  185    H    MET  26           HN       MET  26   9.486  -1.684  -1.161
  186    HA   MET  26           HA       MET  26  11.758  -2.020  -2.817
  187    HB2  MET  26           HB2      MET  26   9.691   0.181  -2.716
  188    HB3  MET  26           HB1      MET  26  10.921   0.044  -3.965
  189    HG2  MET  26           HG2      MET  26   9.998  -2.247  -4.457
  190    HG3  MET  26           HG1      MET  26   8.652  -1.837  -3.397
  191    HE1  MET  26           HE1      MET  26   8.188   1.237  -3.976
  192    HE2  MET  26           HE2      MET  26   6.886   0.050  -3.893
  193    HE3  MET  26           HE3      MET  26   6.986   1.155  -5.264
  194    H    ILE  27           HN       ILE  27  10.891   0.383  -0.372
  195    HA   ILE  27           HA       ILE  27  13.093   2.098  -0.778
  196    HB   ILE  27           HB       ILE  27  11.469   1.627   1.727
  197   HG12  ILE  27          HG12      ILE  27  11.260   3.842  -0.323
  198   HG13  ILE  27          HG11      ILE  27  10.227   2.417  -0.309
  199   HG21  ILE  27          HG21      ILE  27  12.298   3.829   2.444
  200   HG22  ILE  27          HG22      ILE  27  13.361   3.871   1.037
  201   HG23  ILE  27          HG23      ILE  27  13.596   2.646   2.284
  202   HD11  ILE  27          HD11      ILE  27  10.423   4.470   1.882
  203   HD12  ILE  27          HD12      ILE  27   9.377   3.050   1.884
  204   HD13  ILE  27          HD13      ILE  27   9.123   4.331   0.700
  205    H    VAL  28           HN       VAL  28  12.600  -0.676   1.371
  206    HA   VAL  28           HA       VAL  28  15.088  -0.466   2.709
  207    HB   VAL  28           HB       VAL  28  13.294  -2.869   2.333
  208   HG11  VAL  28          HG11      VAL  28  15.605  -2.450   4.225
  209   HG12  VAL  28          HG12      VAL  28  15.543  -3.590   2.882
  210   HG13  VAL  28          HG13      VAL  28  14.483  -3.809   4.274
  211   HG21  VAL  28          HG21      VAL  28  12.257  -0.964   3.501
  212   HG22  VAL  28          HG22      VAL  28  13.575  -0.983   4.670
  213   HG23  VAL  28          HG23      VAL  28  12.478  -2.358   4.557
  214    H    ASN  29           HN       ASN  29  14.035  -2.260  -0.157
  215    HA   ASN  29           HA       ASN  29  16.333  -3.803  -0.546
  216    HB2  ASN  29           HB2      ASN  29  14.322  -2.688  -2.503
  217    HB3  ASN  29           HB1      ASN  29  15.628  -3.761  -2.994
  218   HD21  ASN  29          HD21      ASN  29  15.507  -5.265  -0.481
  219   HD22  ASN  29          HD22      ASN  29  14.105  -6.266  -0.600
  220    H    TRP  30           HN       TRP  30  15.515  -0.571  -1.746
  221    HA   TRP  30           HA       TRP  30  17.869  -0.151  -3.229
  222    HB2  TRP  30           HB2      TRP  30  16.215   1.351  -3.795
  223    HB3  TRP  30           HB1      TRP  30  15.698   1.574  -2.129
  224    HD1  TRP  30           HD1      TRP  30  18.836   2.501  -4.244
  225    HE1  TRP  30           HE1      TRP  30  19.583   4.859  -3.531
  226    HE3  TRP  30           HE3      TRP  30  15.372   3.376  -0.587
  227    HZ2  TRP  30           HZ2      TRP  30  18.804   6.830  -1.661
  228    HZ3  TRP  30           HZ3      TRP  30  15.440   5.521   0.617
  229    HH2  TRP  30           HH2      TRP  30  17.122   7.211   0.090
  230    H    LEU  31           HN       LEU  31  17.008   0.672   0.111
  231    HA   LEU  31           HA       LEU  31  19.381   2.038   0.746
  232    HB2  LEU  31           HB2      LEU  31  17.313   0.628   2.396
  233    HB3  LEU  31           HB1      LEU  31  18.732   1.346   3.139
  234    HG   LEU  31           HG       LEU  31  16.836   2.905   1.396
  235   HD11  LEU  31          HD11      LEU  31  15.849   3.762   3.450
  236   HD12  LEU  31          HD12      LEU  31  16.860   2.673   4.400
  237   HD13  LEU  31          HD13      LEU  31  15.626   2.017   3.325
  238   HD21  LEU  31          HD21      LEU  31  17.870   4.829   2.492
  239   HD22  LEU  31          HD22      LEU  31  19.066   3.852   1.641
  240   HD23  LEU  31          HD23      LEU  31  18.929   3.746   3.396
  241    H    ASN  32           HN       ASN  32  18.570  -1.359   0.690
  242    HA   ASN  32           HA       ASN  32  20.829  -2.260   2.168
  243    HB2  ASN  32           HB2      ASN  32  18.865  -3.601   0.326
  244    HB3  ASN  32           HB1      ASN  32  20.260  -4.474   0.950
  245   HD21  ASN  32          HD21      ASN  32  18.643  -1.996   2.788
  246   HD22  ASN  32          HD22      ASN  32  17.937  -3.051   3.959
  247    H    LYS  33           HN       LYS  33  20.432  -1.025  -0.950
  248    HA   LYS  33           HA       LYS  33  22.750  -2.384  -2.069
  249    HB2  LYS  33           HB2      LYS  33  20.691  -1.922  -3.428
  250    HB3  LYS  33           HB1      LYS  33  21.045  -0.206  -3.294
  251    HG2  LYS  33           HG2      LYS  33  23.151  -2.006  -4.371
  252    HG3  LYS  33           HG1      LYS  33  21.774  -1.602  -5.397
  253    HD2  LYS  33           HD2      LYS  33  22.237   0.802  -4.975
  254    HD3  LYS  33           HD1      LYS  33  23.683   0.330  -4.083
  255    HE2  LYS  33           HE2      LYS  33  24.581  -0.736  -6.084
  256    HE3  LYS  33           HE1      LYS  33  23.124  -0.303  -6.978
  257    HZ1  LYS  33           HZ1      LYS  33  25.064   1.608  -5.788
  258    HZ2  LYS  33           HZ2      LYS  33  23.658   2.034  -6.627
  259    HZ3  LYS  33           HZ3      LYS  33  24.914   1.242  -7.434
  260    H    ARG  34           HN       ARG  34  21.767   0.795  -0.919
  261    HA   ARG  34           HA       ARG  34  24.406   1.898  -1.491
  262    HB2  ARG  34           HB2      ARG  34  23.469   4.041  -0.861
  263    HB3  ARG  34           HB1      ARG  34  22.392   3.243  -1.998
  264    HG2  ARG  34           HG2      ARG  34  20.853   2.679  -0.267
  265    HG3  ARG  34           HG1      ARG  34  21.987   3.197   0.983
  266    HD2  ARG  34           HD2      ARG  34  20.624   4.942  -1.063
  267    HD3  ARG  34           HD1      ARG  34  20.302   4.895   0.670
  268    HE   ARG  34           HE       ARG  34  23.027   5.528   0.048
  269   HH11  ARG  34          HH11      ARG  34  19.818   6.840   0.417
  270   HH12  ARG  34          HH12      ARG  34  20.376   8.440   0.773
  271   HH21  ARG  34          HH21      ARG  34  23.768   7.627   0.517
  272   HH22  ARG  34          HH22      ARG  34  22.623   8.888   0.829
  273    H    LYS  35           HN       LYS  35  22.971   0.179   0.939
  274    HA   LYS  35           HA       LYS  35  23.451  -0.248   3.116
  275    HB2  LYS  35           HB2      LYS  35  26.080   0.921   2.212
  276    HB3  LYS  35           HB1      LYS  35  25.843   0.263   3.824
  277    HG2  LYS  35           HG2      LYS  35  26.845  -1.442   2.542
  278    HG3  LYS  35           HG1      LYS  35  25.149  -1.891   2.723
  279    HD2  LYS  35           HD2      LYS  35  24.680  -1.019   0.485
  280    HD3  LYS  35           HD1      LYS  35  26.374  -0.560   0.306
  281    HE2  LYS  35           HE2      LYS  35  27.037  -2.897   0.495
  282    HE3  LYS  35           HE1      LYS  35  25.354  -3.368   0.725
  283    HZ1  LYS  35           HZ1      LYS  35  26.473  -2.088  -1.712
  284    HZ2  LYS  35           HZ2      LYS  35  24.860  -2.547  -1.493
  285    HZ3  LYS  35           HZ3      LYS  35  26.072  -3.725  -1.552