*HEADER    PLANT PROTEIN                           21-DEC-20   7L51              
*TITLE     SOLUTION NMR STRUCTURE OF THE DIMERIC FORM OF THE CYCLIC PLANT PROTEIN
*TITLE    2 PDP-23 IN H2O                                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYCLIC PLANT PROTEIN PDP-23;                               
*COMPND   3 CHAIN: A, B;                                                         
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: ZINNIA ELEGANS;                                 
*SOURCE   4 ORGANISM_TAXID: 34245                                                
*KEYWDS    MACROCYCLIC PEPTIDE, PAWS DERIVED PEPTIDE, PLANT PROTEIN              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    C.D.PAYNE,K.J.ROSENGREN                                               
*REVDAT   1   20-JAN-21 7L51    0                                                
# Restraints file 1: PDP-23_Dimer_restraints.tbl
!Dihedral angles from TALOS-N (residues 101-128 are indicative of residues 1-28 of Chain B)
assign (resid 1     and name C    ) (resid 2     and name N    ) (resid 2     and name CA   ) (resid 2     and name C    )    1.0 -101.9   93.9 2
assign (resid 2     and name N    ) (resid 2     and name CA   ) (resid 2     and name C    ) (resid 3     and name N    )    1.0  142.0   30.0 2
assign (resid 2     and name C    ) (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    )    1.0 -109.6   49.0 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    ) (resid 4     and name N    )    1.0  133.8   34.0 2
assign (resid 3     and name C    ) (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    )    1.0 -137.3   22.9 2
assign (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    ) (resid 5     and name N    )    1.0  126.0   20.0 2
assign (resid 4     and name C    ) (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    )    1.0   53.9   20.0 2
assign (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    ) (resid 6     and name N    )    1.0   42.4   20.0 2
assign (resid 5     and name C    ) (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    )    1.0   68.1   20.0 2
assign (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    ) (resid 7     and name N    )    1.0   16.6   20.0 2
assign (resid 6     and name C    ) (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    )    1.0 -115.2   33.2 2
assign (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    ) (resid 8     and name N    )    1.0  141.3   29.3 2
assign (resid 7     and name C    ) (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    )    1.0 -105.4   48.0 2
assign (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    ) (resid 9     and name N    )    1.0  143.4   31.7 2
assign (resid 8     and name C    ) (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    )    1.0  -94.9   56.2 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    ) (resid 10    and name N    )    1.0  139.0   39.7 2
assign (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    ) (resid 11    and name N    )    1.0  146.8   20.0 2
assign (resid 10    and name C    ) (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    )    1.0  -55.0   20.0 2
assign (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    ) (resid 12    and name N    )    1.0  133.9   20.0 2
assign (resid 11    and name C    ) (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    )    1.0   96.0   20.0 2
assign (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    ) (resid 13    and name N    )    1.0  -11.3   20.0 2
assign (resid 12    and name C    ) (resid 13    and name N    ) (resid 13    and name CA   ) (resid 13    and name C    )    1.0  -71.1   20.0 2
assign (resid 13    and name N    ) (resid 13    and name CA   ) (resid 13    and name C    ) (resid 14    and name N    )    1.0  142.2   20.8 2
assign (resid 13    and name C    ) (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    )    1.0 -129.7   27.7 2
assign (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    ) (resid 15    and name N    )    1.0  149.6   20.0 2
assign (resid 14    and name C    ) (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name C    )    1.0 -141.7   20.4 2
assign (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name C    ) (resid 16    and name N    )    1.0  152.9   20.0 2
assign (resid 15    and name C    ) (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name C    )    1.0  -78.7   21.0 2
assign (resid 16    and name N    ) (resid 16    and name CA   ) (resid 16    and name C    ) (resid 17    and name N    )    1.0  133.2   24.3 2
assign (resid 16    and name C    ) (resid 17    and name N    ) (resid 17    and name CA   ) (resid 17    and name C    )    1.0  -95.8   49.1 2
assign (resid 17    and name N    ) (resid 17    and name CA   ) (resid 17    and name C    ) (resid 18    and name N    )    1.0  145.7   28.2 2
assign (resid 18    and name N    ) (resid 18    and name CA   ) (resid 18    and name C    ) (resid 19    and name N    )    1.0  143.9   28.1 2
assign (resid 18    and name C    ) (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name C    )    1.0  -70.6   28.0 2
assign (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name C    ) (resid 20    and name N    )    1.0  139.8   24.1 2
assign (resid 22    and name C    ) (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name C    )    1.0  -69.1   30.0 2
assign (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name C    ) (resid 24    and name N    )    1.0  132.1   30.0 2
assign (resid 23    and name C    ) (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name C    )    1.0 -125.0   39.0 2
assign (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name C    ) (resid 25    and name N    )    1.0  143.4   23.5 2
assign (resid 24    and name C    ) (resid 25    and name N    ) (resid 25    and name CA   ) (resid 25    and name C    )    1.0 -119.6   49.5 2
assign (resid 25    and name N    ) (resid 25    and name CA   ) (resid 25    and name C    ) (resid 26    and name N    )    1.0  149.7   22.8 2
assign (resid 25    and name C    ) (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    )    1.0 -112.6   38.8 2
assign (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    ) (resid 27    and name N    )    1.0  102.9   50.5 2
assign (resid 101   and name C    ) (resid 102   and name N    ) (resid 102   and name CA   ) (resid 102   and name C    )    1.0 -101.9   93.9 2
assign (resid 102   and name N    ) (resid 102   and name CA   ) (resid 102   and name C    ) (resid 103   and name N    )    1.0  142.0   30.0 2
assign (resid 102   and name C    ) (resid 103   and name N    ) (resid 103   and name CA   ) (resid 103   and name C    )    1.0 -109.6   49.0 2
assign (resid 103   and name N    ) (resid 103   and name CA   ) (resid 103   and name C    ) (resid 104   and name N    )    1.0  133.8   34.0 2
assign (resid 103   and name C    ) (resid 104   and name N    ) (resid 104   and name CA   ) (resid 104   and name C    )    1.0 -137.3   22.9 2
assign (resid 104   and name N    ) (resid 104   and name CA   ) (resid 104   and name C    ) (resid 105   and name N    )    1.0  126.0   20.0 2
assign (resid 104   and name C    ) (resid 105   and name N    ) (resid 105   and name CA   ) (resid 105   and name C    )    1.0   53.9   20.0 2
assign (resid 105   and name N    ) (resid 105   and name CA   ) (resid 105   and name C    ) (resid 106   and name N    )    1.0   42.4   20.0 2
assign (resid 105   and name C    ) (resid 106   and name N    ) (resid 106   and name CA   ) (resid 106   and name C    )    1.0   68.1   20.0 2
assign (resid 106   and name N    ) (resid 106   and name CA   ) (resid 106   and name C    ) (resid 107   and name N    )    1.0   16.6   20.0 2
assign (resid 106   and name C    ) (resid 107   and name N    ) (resid 107   and name CA   ) (resid 107   and name C    )    1.0 -115.2   33.2 2
assign (resid 107   and name N    ) (resid 107   and name CA   ) (resid 107   and name C    ) (resid 108   and name N    )    1.0  141.3   29.3 2
assign (resid 107   and name C    ) (resid 108   and name N    ) (resid 108   and name CA   ) (resid 108   and name C    )    1.0 -105.4   48.0 2
assign (resid 108   and name N    ) (resid 108   and name CA   ) (resid 108   and name C    ) (resid 109   and name N    )    1.0  143.4   31.7 2
assign (resid 108   and name C    ) (resid 109   and name N    ) (resid 109   and name CA   ) (resid 109   and name C    )    1.0  -94.9   56.2 2
assign (resid 109   and name N    ) (resid 109   and name CA   ) (resid 109   and name C    ) (resid 110   and name N    )    1.0  139.0   39.7 2
assign (resid 110   and name N    ) (resid 110   and name CA   ) (resid 110   and name C    ) (resid 111   and name N    )    1.0  146.8   20.0 2
assign (resid 110   and name C    ) (resid 111   and name N    ) (resid 111   and name CA   ) (resid 111   and name C    )    1.0  -55.0   20.0 2
assign (resid 111   and name N    ) (resid 111   and name CA   ) (resid 111   and name C    ) (resid 112   and name N    )    1.0  133.9   20.0 2
assign (resid 111   and name C    ) (resid 112   and name N    ) (resid 112   and name CA   ) (resid 112   and name C    )    1.0   96.0   20.0 2
assign (resid 112   and name N    ) (resid 112   and name CA   ) (resid 112   and name C    ) (resid 113   and name N    )    1.0  -11.3   20.0 2
assign (resid 112   and name C    ) (resid 113   and name N    ) (resid 113   and name CA   ) (resid 113   and name C    )    1.0  -71.1   20.0 2
assign (resid 113   and name N    ) (resid 113   and name CA   ) (resid 113   and name C    ) (resid 114   and name N    )    1.0  142.2   20.8 2
assign (resid 113   and name C    ) (resid 114   and name N    ) (resid 114   and name CA   ) (resid 114   and name C    )    1.0 -129.7   27.7 2
assign (resid 114   and name N    ) (resid 114   and name CA   ) (resid 114   and name C    ) (resid 115   and name N    )    1.0  149.6   20.0 2
assign (resid 114   and name C    ) (resid 115   and name N    ) (resid 115   and name CA   ) (resid 115   and name C    )    1.0 -141.7   20.4 2
assign (resid 115   and name N    ) (resid 115   and name CA   ) (resid 115   and name C    ) (resid 116   and name N    )    1.0  152.9   20.0 2
assign (resid 115   and name C    ) (resid 116   and name N    ) (resid 116   and name CA   ) (resid 116   and name C    )    1.0  -78.7   21.0 2
assign (resid 116   and name N    ) (resid 116   and name CA   ) (resid 116   and name C    ) (resid 117   and name N    )    1.0  133.2   24.3 2
assign (resid 116   and name C    ) (resid 117   and name N    ) (resid 117   and name CA   ) (resid 117   and name C    )    1.0  -95.8   49.1 2
assign (resid 117   and name N    ) (resid 117   and name CA   ) (resid 117   and name C    ) (resid 118   and name N    )    1.0  145.7   28.2 2
assign (resid 118   and name N    ) (resid 118   and name CA   ) (resid 118   and name C    ) (resid 119   and name N    )    1.0  143.9   28.1 2
assign (resid 118   and name C    ) (resid 119   and name N    ) (resid 119   and name CA   ) (resid 119   and name C    )    1.0  -70.6   28.0 2
assign (resid 119   and name N    ) (resid 119   and name CA   ) (resid 119   and name C    ) (resid 120   and name N    )    1.0  139.8   24.1 2
assign (resid 122   and name C    ) (resid 123   and name N    ) (resid 123   and name CA   ) (resid 123   and name C    )    1.0  -69.1   30.0 2
assign (resid 123   and name N    ) (resid 123   and name CA   ) (resid 123   and name C    ) (resid 124   and name N    )    1.0  132.1   30.0 2
assign (resid 123   and name C    ) (resid 124   and name N    ) (resid 124   and name CA   ) (resid 124   and name C    )    1.0 -125.0   39.0 2
assign (resid 124   and name N    ) (resid 124   and name CA   ) (resid 124   and name C    ) (resid 125   and name N    )    1.0  143.4   23.5 2
assign (resid 124   and name C    ) (resid 125   and name N    ) (resid 125   and name CA   ) (resid 125   and name C    )    1.0 -119.6   49.5 2
assign (resid 125   and name N    ) (resid 125   and name CA   ) (resid 125   and name C    ) (resid 126   and name N    )    1.0  149.7   22.8 2
assign (resid 125   and name C    ) (resid 126   and name N    ) (resid 126   and name CA   ) (resid 126   and name C    )    1.0 -112.6   38.8 2
assign (resid 126   and name N    ) (resid 126   and name CA   ) (resid 126   and name C    ) (resid 127   and name N    )    1.0  102.9   50.5 2

!Hydrogen Bonds from temperature coefficients and preliminary calculations (residues 101-128 are indicative of residues 1-28 of Chain B)
assign (resid 1    and name HN   ) (resid 26    and name O )    0.00    0.00    2.30
assign (resid 1    and name N    ) (resid 26    and name O )    0.00    0.00    3.30
assign (resid 2    and name HN   ) (resid 9     and name O )    0.00    0.00    2.30
assign (resid 2    and name N    ) (resid 9     and name O )    0.00    0.00    3.30
assign (resid 4    and name HN   ) (resid 7     and name O )    0.00    0.00    2.30
assign (resid 4    and name N    ) (resid 7     and name O )    0.00    0.00    3.30
assign (resid 7    and name HN   ) (resid 4     and name O )    0.00    0.00    2.30
assign (resid 7    and name N    ) (resid 4     and name O )    0.00    0.00    3.30
assign (resid 9    and name HN   ) (resid 2     and name O )    0.00    0.00    2.30
assign (resid 9    and name N    ) (resid 2     and name O )    0.00    0.00    3.30
assign (resid 12   and name HN   ) (resid 26    and name O )    0.00    0.00    2.30
assign (resid 12   and name N    ) (resid 26    and name O )    0.00    0.00    3.30
assign (resid 13   and name HN   ) (resid 10    and name O )    0.00    0.00    2.30
assign (resid 13   and name N    ) (resid 10    and name O )    0.00    0.00    3.30
assign (resid 15   and name HN   ) (resid 24    and name O )    0.00    0.00    2.30
assign (resid 15   and name N    ) (resid 24    and name O )    0.00    0.00    3.30
assign (resid 17   and name HN   ) (resid 22    and name O )    0.00    0.00    2.30
assign (resid 17   and name N    ) (resid 22    and name O )    0.00    0.00    3.30
assign (resid 21   and name HN   ) (resid 18    and name O )    0.00    0.00    2.30
assign (resid 21   and name N    ) (resid 18    and name O )    0.00    0.00    3.30
assign (resid 22   and name HN   ) (resid 18    and name O )    0.00    0.00    2.30
assign (resid 22   and name N    ) (resid 18    and name O )    0.00    0.00    3.30
assign (resid 24   and name HN   ) (resid 15    and name O )    0.00    0.00    2.30
assign (resid 24   and name N    ) (resid 15    and name O )    0.00    0.00    3.30
assign (resid 26   and name HN   ) (resid 13    and name O )    0.00    0.00    2.30
assign (resid 26   and name N    ) (resid 13    and name O )    0.00    0.00    3.30
assign (resid 101  and name HN   ) (resid 126   and name O )    0.00    0.00    2.30
assign (resid 101  and name N    ) (resid 126   and name O )    0.00    0.00    3.30
assign (resid 102  and name HN   ) (resid 109   and name O )    0.00    0.00    2.30
assign (resid 102  and name N    ) (resid 109   and name O )    0.00    0.00    3.30
assign (resid 104  and name HN   ) (resid 107   and name O )    0.00    0.00    2.30
assign (resid 104  and name N    ) (resid 107   and name O )    0.00    0.00    3.30
assign (resid 107  and name HN   ) (resid 104   and name O )    0.00    0.00    2.30
assign (resid 107  and name N    ) (resid 104   and name O )    0.00    0.00    3.30
assign (resid 109  and name HN   ) (resid 102   and name O )    0.00    0.00    2.30
assign (resid 109  and name N    ) (resid 102   and name O )    0.00    0.00    3.30
assign (resid 112  and name HN   ) (resid 126   and name O )    0.00    0.00    2.30
assign (resid 112  and name N    ) (resid 126   and name O )    0.00    0.00    3.30
assign (resid 113  and name HN   ) (resid 110   and name O )    0.00    0.00    2.30
assign (resid 113  and name N    ) (resid 110   and name O )    0.00    0.00    3.30
assign (resid 115  and name HN   ) (resid 124   and name O )    0.00    0.00    2.30
assign (resid 115  and name N    ) (resid 124   and name O )    0.00    0.00    3.30
assign (resid 117  and name HN   ) (resid 122   and name O )    0.00    0.00    2.30
assign (resid 117  and name N    ) (resid 122   and name O )    0.00    0.00    3.30
assign (resid 121  and name HN   ) (resid 118   and name O )    0.00    0.00    2.30
assign (resid 121  and name N    ) (resid 118   and name O )    0.00    0.00    3.30
assign (resid 122  and name HN   ) (resid 118   and name O )    0.00    0.00    2.30
assign (resid 122  and name N    ) (resid 118   and name O )    0.00    0.00    3.30
assign (resid 124  and name HN   ) (resid 115   and name O )    0.00    0.00    2.30
assign (resid 124  and name N    ) (resid 115   and name O )    0.00    0.00    3.30
assign (resid 126  and name HN   ) (resid 113   and name O )    0.00    0.00    2.30
assign (resid 126  and name N    ) (resid 113   and name O )    0.00    0.00    3.30

!Interproton distance restraints from CYANA 3.98.5 (residues 101-128 are indicative of residues 1-28 of Chain B)
assign (resid   2 and name   HN)   (resid   2 and name  HB1)   2.945    1.145    1.145  
assign (resid 102 and name   HN)   (resid 102 and name  HB1)   2.945    1.145    1.145  
assign (resid   2 and name   HN)   (resid   2 and name  HB2)   2.945    1.145    1.145  
assign (resid 102 and name   HN)   (resid 102 and name  HB2)   2.945    1.145    1.145  
assign (resid   2 and name  HB2)   (resid  26 and name  HD#)   3.190    1.390    1.390  
assign (resid 102 and name  HB2)   (resid 126 and name  HD#)   3.190    1.390    1.390  
assign (resid   2 and name  HB1)   (resid  26 and name  HD#)   3.190    1.390    1.390  
assign (resid 102 and name  HB1)   (resid 126 and name  HD#)   3.190    1.390    1.390  
assign (resid   1 and name  HA2)   (resid   2 and name   HN)   2.535    0.735    0.735  
assign (resid 101 and name  HA2)   (resid 102 and name   HN)   2.535    0.735    0.735  
assign (resid   1 and name  HA1)   (resid   2 and name   HN)   2.535    0.735    0.735  
assign (resid 101 and name  HA1)   (resid 102 and name   HN)   2.535    0.735    0.735  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.405    0.605    0.605  
assign (resid 102 and name   HA)   (resid 103 and name   HN)   2.405    0.605    0.605  
assign (resid   4 and name   HN)   (resid   4 and name  HB1)   2.870    1.070    1.070  
assign (resid 104 and name   HN)   (resid 104 and name  HB1)   2.870    1.070    1.070  
assign (resid   4 and name  HB1)   (resid   4 and name  HE3)   2.995    1.195    1.195  
assign (resid 104 and name  HB1)   (resid 104 and name  HE3)   2.995    1.195    1.195  
assign (resid   2 and name  HD#)   (resid  26 and name  HB1)   3.640    1.840    1.840  
assign (resid 102 and name  HD#)   (resid 126 and name  HB1)   3.640    1.840    1.840  
assign (resid   5 and name   HN)   (resid   5 and name  HD2)   3.235    1.435    1.435  
assign (resid 105 and name   HN)   (resid 105 and name  HD2)   3.235    1.435    1.435  
assign (resid   4 and name  HB2)   (resid   5 and name   HN)   3.650    1.850    1.850  
assign (resid 104 and name  HB2)   (resid 105 and name   HN)   3.650    1.850    1.850  
assign (resid   5 and name   HA)   (resid   5 and name  HD2)   2.685    0.885    0.885  
assign (resid 105 and name   HA)   (resid 105 and name  HD2)   2.685    0.885    0.885  
assign (resid   6 and name   HN)   (resid   6 and name   HA)   2.345    0.545    0.545  
assign (resid 106 and name   HN)   (resid 106 and name   HA)   2.345    0.545    0.545  
assign (resid   6 and name   HN)   (resid   6 and name  HB#)   2.685    0.885    0.885  
assign (resid 106 and name   HN)   (resid 106 and name  HB#)   2.685    0.885    0.885  
assign (resid   5 and name   HA)   (resid   6 and name   HN)   2.670    0.870    0.870  
assign (resid 105 and name   HA)   (resid 106 and name   HN)   2.670    0.870    0.870  
assign (resid   7 and name   HN)   (resid   7 and name  HB2)   2.930    1.130    1.130  
assign (resid 107 and name   HN)   (resid 107 and name  HB2)   2.930    1.130    1.130  
assign (resid   7 and name   HN)   (resid   7 and name  HB1)   2.930    1.130    1.130  
assign (resid 107 and name   HN)   (resid 107 and name  HB1)   2.930    1.130    1.130  
assign (resid   6 and name  HB#)   (resid   7 and name   HN)   3.215    1.415    1.415  
assign (resid 106 and name  HB#)   (resid 107 and name   HN)   3.215    1.415    1.415  
assign (resid   7 and name   HA)   (resid   8 and name   HN)   2.455    0.655    0.655  
assign (resid 107 and name   HA)   (resid 108 and name   HN)   2.455    0.655    0.655  
assign (resid   3 and name   HA)   (resid   8 and name   HA)   2.300    0.500    0.500  
assign (resid 103 and name   HA)   (resid 108 and name   HA)   2.300    0.500    0.500  
assign (resid   4 and name   HN)   (resid   8 and name   HA)   2.745    0.945    0.945  
assign (resid 104 and name   HN)   (resid 108 and name   HA)   2.745    0.945    0.945  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.345    0.545    0.545  
assign (resid 103 and name   HA)   (resid 104 and name   HN)   2.345    0.545    0.545  
assign (resid   3 and name   HA)   (resid   9 and name   HN)   2.790    0.990    0.990  
assign (resid 103 and name   HA)   (resid 109 and name   HN)   2.790    0.990    0.990  
assign (resid   8 and name   HA)   (resid   9 and name   HN)   2.355    0.555    0.555  
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assign (resid   9 and name   HA)   (resid  10 and name  HD2)   2.465    0.665    0.665  
assign (resid 109 and name   HA)   (resid 110 and name  HD2)   2.465    0.665    0.665  
assign (resid   9 and name   HA)   (resid  10 and name  HD1)   2.465    0.665    0.665  
assign (resid 109 and name   HA)   (resid 110 and name  HD1)   2.465    0.665    0.665  
assign (resid  10 and name   HA)   (resid  11 and name   HN)   2.320    0.520    0.520  
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assign (resid  11 and name   HN)   (resid  11 and name  HB1)   2.755    0.955    0.955  
assign (resid 111 and name   HN)   (resid 111 and name  HB1)   2.755    0.955    0.955  
assign (resid  10 and name  HB2)   (resid  11 and name   HN)   2.840    1.040    1.040  
assign (resid 110 and name  HB2)   (resid 111 and name   HN)   2.840    1.040    1.040  
assign (resid  11 and name  HB1)   (resid  12 and name   HN)   3.080    1.280    1.280  
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assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.310    0.510    0.510  
assign (resid 111 and name   HA)   (resid 112 and name   HN)   2.310    0.510    0.510  
assign (resid  13 and name   HN)   (resid  13 and name   HB)   2.720    0.920    0.920  
assign (resid 113 and name   HN)   (resid 113 and name   HB)   2.720    0.920    0.920  
assign (resid  13 and name   HN)   (resid  13 and name HG2#)   3.120    1.320    1.320  
assign (resid 113 and name   HN)   (resid 113 and name HG2#)   3.120    1.320    1.320  
assign (resid  13 and name HG2#)   (resid  14 and name   HN)   2.510    0.710    0.710  
assign (resid 113 and name HG2#)   (resid 114 and name   HN)   2.510    0.710    0.710  
assign (resid  13 and name   HB)   (resid  14 and name   HN)   3.075    1.275    1.275  
assign (resid 113 and name   HB)   (resid 114 and name   HN)   3.075    1.275    1.275  
assign (resid  13 and name   HA)   (resid  14 and name   HN)   2.310    0.510    0.510  
assign (resid 113 and name   HA)   (resid 114 and name   HN)   2.310    0.510    0.510  
assign (resid  15 and name   HN)   (resid  15 and name  HB#)   2.590    0.790    0.790  
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assign (resid  14 and name  HB1)   (resid  15 and name   HN)   2.900    1.100    1.100  
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assign (resid  14 and name  HB2)   (resid  15 and name   HN)   2.900    1.100    1.100  
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assign (resid  16 and name   HN)   (resid  16 and name  HB1)   2.785    0.985    0.985  
assign (resid 116 and name   HN)   (resid 116 and name  HB1)   2.785    0.985    0.985  
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assign (resid 115 and name   HA)   (resid 116 and name   HN)   2.295    0.495    0.495  
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assign (resid 115 and name  HB#)   (resid 116 and name   HN)   2.515    0.715    0.715  
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assign (resid  17 and name   HN)   (resid  17 and name  HB1)   2.795    0.995    0.995  
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assign (resid  16 and name   HA)   (resid  17 and name   HN)   2.340    0.540    0.540  
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assign (resid  17 and name  HB2)   (resid  22 and name   HN)   2.955    1.155    1.155  
assign (resid 117 and name  HB2)   (resid 122 and name   HN)   2.955    1.155    1.155  
assign (resid  16 and name   HA)   (resid  17 and name  HD#)   2.960    1.160    1.160  
assign (resid 116 and name   HA)   (resid 117 and name  HD#)   2.960    1.160    1.160  
assign (resid  17 and name   HA)   (resid  17 and name  HD#)   2.785    0.985    0.985  
assign (resid 117 and name   HA)   (resid 117 and name  HD#)   2.785    0.985    0.985  
assign (resid  17 and name   HA)   (resid  18 and name  HD2)   2.810    1.010    1.010  
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assign (resid  17 and name   HA)   (resid  18 and name  HD1)   2.810    1.010    1.010  
assign (resid 117 and name   HA)   (resid 118 and name  HD1)   2.810    1.010    1.010  
assign (resid  19 and name   HN)   (resid  19 and name  HB2)   2.400    0.600    0.600  
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assign (resid  19 and name   HN)   (resid  19 and name  HB1)   2.400    0.600    0.600  
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assign (resid  18 and name   HA)   (resid  19 and name   HN)   2.470    0.670    0.670  
assign (resid 118 and name   HA)   (resid 119 and name   HN)   2.470    0.670    0.670  
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assign (resid  19 and name   HA)   (resid  19 and name  HD1)   2.845    1.045    1.045  
assign (resid 119 and name   HA)   (resid 119 and name  HD1)   2.845    1.045    1.045  
assign (resid  19 and name   HN)   (resid  19 and name  HD1)   3.555    1.755    1.755  
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assign (resid  19 and name   HN)   (resid  19 and name  HE3)   3.650    1.850    1.850  
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assign (resid  19 and name   HA)   (resid  20 and name   HA)   2.255    0.455    0.455  
assign (resid 119 and name   HA)   (resid 120 and name   HA)   2.255    0.455    0.455  
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assign (resid  23 and name   HN)   (resid  23 and name  HB1)   2.770    0.970    0.970  
assign (resid 123 and name   HN)   (resid 123 and name  HB1)   2.770    0.970    0.970  
assign (resid  22 and name  HA1)   (resid  23 and name   HN)   2.510    0.710    0.710  
assign (resid 122 and name  HA1)   (resid 123 and name   HN)   2.510    0.710    0.710  
assign (resid  22 and name  HA2)   (resid  23 and name   HN)   2.510    0.710    0.710  
assign (resid 122 and name  HA2)   (resid 123 and name   HN)   2.510    0.710    0.710  
assign (resid  23 and name  HB1)   (resid  23 and name  HD2)   2.870    1.070    1.070  
assign (resid 123 and name  HB1)   (resid 123 and name  HD2)   2.870    1.070    1.070  
assign (resid  23 and name  HB2)   (resid  23 and name  HD2)   2.870    1.070    1.070  
assign (resid 123 and name  HB2)   (resid 123 and name  HD2)   2.870    1.070    1.070  
assign (resid  23 and name   HA)   (resid  23 and name  HD2)   3.205    1.405    1.405  
assign (resid 123 and name   HA)   (resid 123 and name  HD2)   3.205    1.405    1.405  
assign (resid  23 and name   HN)   (resid  23 and name  HD2)   3.650    1.850    1.850  
assign (resid 123 and name   HN)   (resid 123 and name  HD2)   3.650    1.850    1.850  
assign (resid  23 and name   HA)   (resid  24 and name   HN)   2.305    0.505    0.505  
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assign (resid  24 and name   HN)   (resid  24 and name  HB1)   2.900    1.100    1.100  
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assign (resid  25 and name   HN)   (resid  25 and name  HB2)   2.750    0.950    0.950  
assign (resid 125 and name   HN)   (resid 125 and name  HB2)   2.750    0.950    0.950  
assign (resid  24 and name   HA)   (resid  25 and name   HN)   2.285    0.485    0.485  
assign (resid 124 and name   HA)   (resid 125 and name   HN)   2.285    0.485    0.485  
assign (resid  24 and name  HB1)   (resid  25 and name   HN)   3.015    1.215    1.215  
assign (resid 124 and name  HB1)   (resid 125 and name   HN)   3.015    1.215    1.215  
assign (resid  24 and name  HB2)   (resid  25 and name   HN)   3.015    1.215    1.215  
assign (resid 124 and name  HB2)   (resid 125 and name   HN)   3.015    1.215    1.215  
assign (resid  26 and name   HN)   (resid  26 and name  HB2)   2.860    1.060    1.060  
assign (resid 126 and name   HN)   (resid 126 and name  HB2)   2.860    1.060    1.060  
assign (resid  25 and name   HA)   (resid  26 and name   HN)   2.445    0.645    0.645  
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assign (resid  14 and name   HA)   (resid  26 and name   HN)   2.710    0.910    0.910  
assign (resid 114 and name   HA)   (resid 126 and name   HN)   2.710    0.910    0.910  
assign (resid  14 and name   HA)   (resid  25 and name   HN)   3.650    1.850    1.850  
assign (resid 114 and name   HA)   (resid 125 and name   HN)   3.650    1.850    1.850  
assign (resid   1 and name   HN)   (resid  26 and name  HB1)   2.890    1.090    1.090  
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assign (resid 101 and name   HN)   (resid 126 and name  HB2)   3.165    1.365    1.365  
assign (resid   1 and name   HN)   (resid  26 and name   HA)   3.650    1.850    1.850  
assign (resid 101 and name   HN)   (resid 126 and name   HA)   3.650    1.850    1.850  
assign (resid  25 and name   HA)   (resid  26 and name  HD#)   3.130    1.330    1.330  
assign (resid 125 and name   HA)   (resid 126 and name  HD#)   3.130    1.330    1.330  
assign (resid  26 and name   HA)   (resid  26 and name  HD#)   2.550    0.750    0.750  
assign (resid 126 and name   HA)   (resid 126 and name  HD#)   2.550    0.750    0.750  
assign (resid  14 and name   HA)   (resid  26 and name  HD#)   2.960    1.160    1.160  
assign (resid 114 and name   HA)   (resid 126 and name  HD#)   2.960    1.160    1.160  
assign (resid  14 and name   HA)   (resid  25 and name   HA)   2.375    0.575    0.575  
assign (resid 114 and name   HA)   (resid 125 and name   HA)   2.375    0.575    0.575  
assign (resid  26 and name   HA)   (resid  27 and name  HD2)   2.685    0.885    0.885  
assign (resid 126 and name   HA)   (resid 127 and name  HD2)   2.685    0.885    0.885  
assign (resid  26 and name   HA)   (resid  27 and name  HD1)   2.685    0.885    0.885  
assign (resid 126 and name   HA)   (resid 127 and name  HD1)   2.685    0.885    0.885  
assign (resid  27 and name  HG1)   (resid  28 and name   HN)   3.210    1.410    1.410  
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assign (resid  27 and name  HG2)   (resid  28 and name   HN)   3.210    1.410    1.410  
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assign (resid  27 and name  HD1)   (resid  28 and name   HN)   3.285    1.485    1.485  
assign (resid 127 and name  HD1)   (resid 128 and name   HN)   3.285    1.485    1.485  
assign (resid  27 and name  HD2)   (resid  28 and name   HN)   3.285    1.485    1.485  
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assign (resid   1 and name   HN)   (resid  28 and name   HA)   2.815    1.015    1.015  
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assign (resid   1 and name   HN)   (resid  27 and name   HA)   3.255    1.455    1.455  
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assign (resid   1 and name   HN)   (resid  11 and name  HB2)   3.485    1.685    1.685  
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assign (resid   1 and name   HN)   (resid  11 and name   HA)   2.600    0.800    0.800  
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assign (resid   1 and name  HA2)   (resid  11 and name   HN)   3.650    1.850    1.850  
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assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.405    0.605    0.605  
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assign (resid   4 and name   HA)   (resid   4 and name  HE3)   2.695    0.895    0.895  
assign (resid 104 and name   HA)   (resid 104 and name  HE3)   2.695    0.895    0.895  
assign (resid   1 and name  HA1)   (resid  11 and name   HN)   3.650    1.850    1.850  
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assign (resid   1 and name   HN)   (resid  28 and name   HN)   2.515    0.715    0.715  
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assign (resid   4 and name  HE3)   (resid   5 and name   HN)   3.650    1.850    1.850  
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assign (resid   1 and name   HN)   (resid  11 and name   HN)   3.650    1.850    1.850  
assign (resid 101 and name   HN)   (resid 111 and name   HN)   3.650    1.850    1.850  
assign (resid  13 and name HG2#)   (resid  26 and name  HD#)   2.905    1.105    1.105  
assign (resid 113 and name HG2#)   (resid 126 and name  HD#)   2.905    1.105    1.105  
assign (resid   6 and name   HA)   (resid   6 and name  HB#)   2.350    0.550    0.550  
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assign (resid   3 and name   HA)   (resid   7 and name   HN)   3.645    1.845    1.845  
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assign (resid   5 and name  HB2)   (resid   7 and name   HN)   3.650    1.850    1.850  
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assign (resid  21 and name   HN)   (resid  21 and name HD1#)   3.650    1.850    1.850  
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assign (resid  21 and name   HN)   (resid  21 and name  HB1)   2.835    1.035    1.035  
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assign (resid  17 and name  HE#)   (resid  18 and name  HD1)   3.650    1.850    1.850  
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assign (resid 117 and name  HE#)   (resid 118 and name  HD2)   3.650    1.850    1.850  
assign (resid  17 and name   HA)   (resid  17 and name  HE#)   3.650    1.850    1.850  
assign (resid 117 and name   HA)   (resid 117 and name  HE#)   3.650    1.850    1.850  
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assign (resid  17 and name  HD#)   (resid 126 and name  HE#)   3.650    1.850    1.850  
assign (resid  17 and name  HE#)   (resid  26 and name  HE#)   2.915    1.115    1.115  
assign (resid 117 and name  HE#)   (resid 126 and name  HE#)   2.915    1.115    1.115  
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assign (resid  17 and name  HE#)   (resid  26 and name  HD#)   3.650    1.850    1.850  
assign (resid 117 and name  HE#)   (resid 126 and name  HD#)   3.650    1.850    1.850  
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assign (resid 108 and name  HB#)   (resid 109 and name   HN)   2.570    0.770    0.770  
assign (resid  17 and name   HA)   (resid 113 and name HG2#)   3.650    1.850    1.850  
assign (resid  13 and name HG2#)   (resid 117 and name   HA)   3.650    1.850    1.850  
assign (resid   9 and name   HA)   (resid  13 and name HG2#)   3.650    1.850    1.850  
assign (resid 109 and name   HA)   (resid 113 and name HG2#)   3.650    1.850    1.850  
assign (resid  13 and name   HA)   (resid  13 and name HG2#)   2.490    0.690    0.690  
assign (resid 113 and name   HA)   (resid 113 and name HG2#)   2.490    0.690    0.690  
assign (resid  13 and name   HB)   (resid  26 and name  HB2)   2.660    0.860    0.860  
assign (resid 113 and name   HB)   (resid 126 and name  HB2)   2.660    0.860    0.860  
assign (resid  18 and name  HB1)   (resid  19 and name   HN)   2.950    1.150    1.150  
assign (resid 118 and name  HB1)   (resid 119 and name   HN)   2.950    1.150    1.150  
assign (resid  10 and name  HB1)   (resid  11 and name   HN)   2.840    1.040    1.040  
assign (resid 110 and name  HB1)   (resid 111 and name   HN)   2.840    1.040    1.040  
assign (resid   8 and name   HN)   (resid   8 and name  HB#)   2.620    0.820    0.820  
assign (resid 108 and name   HN)   (resid 108 and name  HB#)   2.620    0.820    0.820  
assign (resid   2 and name   HN)   (resid   8 and name  HB#)   3.635    1.835    1.835  
assign (resid 102 and name   HN)   (resid 108 and name  HB#)   3.635    1.835    1.835  
assign (resid   2 and name   HN)   (resid  26 and name  HB2)   3.650    1.850    1.850  
assign (resid 102 and name   HN)   (resid 126 and name  HB2)   3.650    1.850    1.850  
assign (resid   5 and name  HB1)   (resid   7 and name   HN)   3.650    1.850    1.850  
assign (resid 105 and name  HB1)   (resid 107 and name   HN)   3.650    1.850    1.850  
assign (resid  19 and name  HE3)   (resid  20 and name   HA)   3.075    1.275    1.275  
assign (resid 119 and name  HE3)   (resid 120 and name   HA)   3.075    1.275    1.275  
assign (resid  19 and name  HD1)   (resid  20 and name   HA)   2.670    0.870    0.870  
assign (resid 119 and name  HD1)   (resid 120 and name   HA)   2.670    0.870    0.870  
assign (resid  19 and name  HD1)   (resid  20 and name  HB2)   3.650    1.850    1.850  
assign (resid 119 and name  HD1)   (resid 120 and name  HB2)   3.650    1.850    1.850  
assign (resid  19 and name  HE3)   (resid  20 and name  HB2)   3.650    1.850    1.850  
assign (resid 119 and name  HE3)   (resid 120 and name  HB2)   3.650    1.850    1.850  
assign (resid  19 and name  HZ3)   (resid  20 and name   HA)   3.650    1.850    1.850  
assign (resid 119 and name  HZ3)   (resid 120 and name   HA)   3.650    1.850    1.850  
assign (resid  17 and name  HD#)   (resid  21 and name   HG)   3.410    1.610    1.610  
assign (resid 117 and name  HD#)   (resid 121 and name   HG)   3.410    1.610    1.610  
assign (resid  21 and name   HG)   (resid  22 and name   HN)   3.375    1.575    1.575  
assign (resid 121 and name   HG)   (resid 122 and name   HN)   3.375    1.575    1.575  
assign (resid  21 and name HD2#)   (resid 107 and name   HN)   3.650    1.850    1.850  
assign (resid   7 and name   HN)   (resid 121 and name HD2#)   3.650    1.850    1.850  
assign (resid  26 and name   HA)   (resid 104 and name  HZ2)   3.325    1.525    1.525  
assign (resid   4 and name  HZ2)   (resid 126 and name   HA)   3.325    1.525    1.525  
assign (resid  21 and name   HG)   (resid 109 and name HG1#)   3.520    1.720    1.720  
assign (resid   9 and name HG1#)   (resid 121 and name   HG)   3.520    1.720    1.720  
assign (resid  21 and name   HG)   (resid 109 and name HG2#)   3.520    1.720    1.720  
assign (resid   9 and name HG2#)   (resid 121 and name   HG)   3.520    1.720    1.720  
assign (resid   9 and name HG1#)   (resid 117 and name  HD#)   3.485    1.685    1.685  
assign (resid  17 and name  HD#)   (resid 109 and name HG1#)   3.485    1.685    1.685  
assign (resid   9 and name HG2#)   (resid 117 and name  HD#)   3.485    1.685    1.685  
assign (resid  17 and name  HD#)   (resid 109 and name HG2#)   3.485    1.685    1.685  
assign (resid  26 and name  HE#)   (resid 104 and name  HE1)   3.650    1.850    1.850  
assign (resid   4 and name  HE1)   (resid 126 and name  HE#)   3.650    1.850    1.850  
assign (resid   2 and name  HE#)   (resid   4 and name  HE3)   2.695    0.895    0.895  
assign (resid 102 and name  HE#)   (resid 104 and name  HE3)   2.695    0.895    0.895  
assign (resid  11 and name   HA)   (resid  28 and name   HA)   3.550    1.750    1.750  
assign (resid 111 and name   HA)   (resid 128 and name   HA)   3.550    1.750    1.750  
assign (resid  11 and name   HA)   (resid  27 and name   HA)   2.995    1.195    1.195  
assign (resid 111 and name   HA)   (resid 127 and name   HA)   2.995    1.195    1.195  
assign (resid  11 and name   HA)   (resid  26 and name  HB1)   3.650    1.850    1.850  
assign (resid 111 and name   HA)   (resid 126 and name  HB1)   3.650    1.850    1.850  
assign (resid  13 and name   HB)   (resid  26 and name  HB1)   3.650    1.850    1.850  
assign (resid 113 and name   HB)   (resid 126 and name  HB1)   3.650    1.850    1.850  
assign (resid   2 and name  HD#)   (resid   4 and name  HE3)   3.650    1.850    1.850  
assign (resid 102 and name  HD#)   (resid 104 and name  HE3)   3.650    1.850    1.850  
assign (resid   2 and name  HD#)   (resid 104 and name  HE3)   3.650    1.850    1.850  
assign (resid   4 and name  HE3)   (resid 102 and name  HD#)   3.650    1.850    1.850  
assign (resid   2 and name  HD#)   (resid 104 and name  HZ2)   3.650    1.850    1.850  
assign (resid   4 and name  HZ2)   (resid 102 and name  HD#)   3.650    1.850    1.850  
assign (resid   2 and name   HN)   (resid   2 and name  HD#)   3.545    1.745    1.745  
assign (resid 102 and name   HN)   (resid 102 and name  HD#)   3.545    1.745    1.745  
assign (resid   2 and name  HD#)   (resid 104 and name  HZ3)   3.650    1.850    1.850  
assign (resid   4 and name  HZ3)   (resid 102 and name  HD#)   3.650    1.850    1.850  
assign (resid   2 and name   HA)   (resid 104 and name  HZ3)   3.650    1.850    1.850  
assign (resid   4 and name  HZ3)   (resid 102 and name   HA)   3.650    1.850    1.850  
assign (resid   4 and name   HA)   (resid   4 and name  HZ3)   3.650    1.850    1.850  
assign (resid 104 and name   HA)   (resid 104 and name  HZ3)   3.650    1.850    1.850  
assign (resid  13 and name   HN)   (resid  26 and name  HB1)   3.650    1.850    1.850  
assign (resid 113 and name   HN)   (resid 126 and name  HB1)   3.650    1.850    1.850  
assign (resid  26 and name  HB1)   (resid 104 and name  HZ2)   3.650    1.850    1.850  
assign (resid   4 and name  HZ2)   (resid 126 and name  HB1)   3.650    1.850    1.850  
assign (resid  13 and name   HN)   (resid  26 and name  HB2)   3.440    1.640    1.640  
assign (resid 113 and name   HN)   (resid 126 and name  HB2)   3.440    1.640    1.640  
assign (resid   2 and name   HA)   (resid  26 and name  HB1)   3.495    1.695    1.695  
assign (resid 102 and name   HA)   (resid 126 and name  HB1)   3.495    1.695    1.695  
assign (resid  14 and name   HA)   (resid  25 and name  HB2)   3.455    1.655    1.655  
assign (resid 114 and name   HA)   (resid 125 and name  HB2)   3.455    1.655    1.655  
assign (resid  14 and name   HA)   (resid  25 and name  HB1)   3.455    1.655    1.655  
assign (resid 114 and name   HA)   (resid 125 and name  HB1)   3.455    1.655    1.655  
assign (resid  17 and name  HB1)   (resid  21 and name   HG)   3.360    1.560    1.560  
assign (resid 117 and name  HB1)   (resid 121 and name   HG)   3.360    1.560    1.560  
assign (resid  17 and name  HB2)   (resid  21 and name   HG)   3.360    1.560    1.560  
assign (resid 117 and name  HB2)   (resid 121 and name   HG)   3.360    1.560    1.560  
assign (resid   1 and name   HN)   (resid  11 and name  HB#)   3.160    1.360    1.360  
assign (resid   1 and name   HN)   (resid  28 and name  HB#)   3.085    1.285    1.285  
assign (resid   1 and name  HA#)   (resid   2 and name   HN)   2.330    0.530    0.530  
assign (resid   1 and name  HA#)   (resid   9 and name  HG*)   3.080    1.280    1.280  
assign (resid   1 and name  HA#)   (resid  11 and name   HN)   3.305    1.505    1.505  
assign (resid   1 and name  HA#)   (resid  11 and name   HA)   3.000    1.200    1.200  
assign (resid   1 and name  HA#)   (resid  26 and name  HB2)   3.290    1.490    1.490  
assign (resid   1 and name  HA#)   (resid  26 and name  HB1)   3.180    1.380    1.380  
assign (resid   1 and name  HA#)   (resid  28 and name   HN)   3.570    1.770    1.770  
assign (resid   2 and name   HN)   (resid   2 and name  HB#)   2.645    0.845    0.845  
assign (resid   2 and name   HN)   (resid   9 and name  HG*)   2.595    0.795    0.795  
assign (resid   2 and name   HN)   (resid 121 and name  HD#)   3.620    1.820    1.820  
assign (resid   2 and name   HA)   (resid   9 and name  HG*)   3.580    1.780    1.780  
assign (resid   2 and name  HB#)   (resid   9 and name   HN)   3.510    1.710    1.710  
assign (resid   2 and name  HB#)   (resid   9 and name  HG*)   2.480    0.680    0.680  
assign (resid   2 and name  HB#)   (resid  26 and name  HB1)   3.115    1.315    1.315  
assign (resid   2 and name  HB#)   (resid  26 and name  HD#)   2.755    0.955    0.955  
assign (resid   2 and name  HD#)   (resid   4 and name  HB#)   3.040    1.240    1.240  
assign (resid   2 and name  HD#)   (resid   9 and name  HG*)   2.655    0.855    0.855  
assign (resid   2 and name  HD#)   (resid 121 and name  HD#)   2.590    0.790    0.790  
assign (resid   2 and name  HE#)   (resid   4 and name  HB#)   2.860    1.060    1.060  
assign (resid   2 and name  HE#)   (resid   9 and name  HG*)   3.530    1.730    1.730  
assign (resid   2 and name  HE#)   (resid 121 and name  HD#)   2.945    1.145    1.145  
assign (resid   3 and name   HN)   (resid   3 and name  HB#)   2.670    0.870    0.870  
assign (resid   3 and name  HB#)   (resid   4 and name   HN)   2.770    0.970    0.970  
assign (resid   3 and name  HB#)   (resid   7 and name   HN)   3.570    1.770    1.770  
assign (resid   3 and name  HB#)   (resid   8 and name   HA)   3.155    1.355    1.355  
assign (resid   4 and name   HN)   (resid   7 and name  HB#)   3.480    1.680    1.680  
assign (resid   4 and name   HN)   (resid 121 and name  HD#)   2.820    1.020    1.020  
assign (resid   4 and name  HB#)   (resid 121 and name  HD#)   2.590    0.790    0.790  
assign (resid   4 and name  HB#)   (resid 126 and name  HE#)   3.570    1.770    1.770  
assign (resid   4 and name  HD1)   (resid   5 and name  HB#)   3.010    1.210    1.210  
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assign (resid   4 and name  HD1)   (resid 124 and name  HB#)   3.570    1.770    1.770  
assign (resid   4 and name  HD1)   (resid 124 and name  HG#)   2.685    0.885    0.885  
assign (resid   4 and name  HE1)   (resid 124 and name  HB#)   3.570    1.770    1.770  
assign (resid   4 and name  HE1)   (resid 124 and name  HG#)   3.570    1.770    1.770  
assign (resid   5 and name  HB#)   (resid   6 and name   HN)   3.075    1.275    1.275  
assign (resid   5 and name  HB#)   (resid   6 and name  HD2)   3.425    1.625    1.625  
assign (resid   7 and name   HN)   (resid 121 and name  HD#)   3.285    1.485    1.485  
assign (resid   7 and name  HB#)   (resid   8 and name   HN)   2.675    0.875    0.875  
assign (resid   7 and name  HB#)   (resid 121 and name   HN)   2.880    1.080    1.080  
assign (resid   7 and name  HB#)   (resid 121 and name  HD#)   2.645    0.845    0.845  
assign (resid   8 and name   HA)   (resid   9 and name  HG*)   2.885    1.085    1.085  
assign (resid   8 and name   HA)   (resid 121 and name  HD#)   3.370    1.570    1.570  
assign (resid   8 and name  HB#)   (resid   9 and name  HG*)   3.620    1.820    1.820  
assign (resid   9 and name   HN)   (resid   9 and name  HG*)   2.475    0.675    0.675  
assign (resid   9 and name   HN)   (resid 121 and name  HD#)   3.275    1.475    1.475  
assign (resid   9 and name   HA)   (resid  10 and name  HG#)   3.165    1.365    1.365  
assign (resid   9 and name   HA)   (resid  10 and name  HD#)   2.220    0.420    0.420  
assign (resid   9 and name   HA)   (resid 120 and name  HD#)   3.020    1.220    1.220  
assign (resid   9 and name   HB)   (resid  10 and name  HD#)   2.630    0.830    0.830  
assign (resid   9 and name  HG*)   (resid  10 and name   HA)   3.620    1.820    1.820  
assign (resid   9 and name  HG*)   (resid  10 and name  HD#)   2.695    0.895    0.895  
assign (resid   9 and name  HG*)   (resid  13 and name   HB)   2.825    1.025    1.025  
assign (resid   9 and name  HG*)   (resid  13 and name HG2#)   2.585    0.785    0.785  
assign (resid   9 and name  HG*)   (resid  26 and name  HB2)   3.620    1.820    1.820  
assign (resid   9 and name  HG*)   (resid  26 and name  HD#)   3.085    1.285    1.285  
assign (resid   9 and name  HG*)   (resid  26 and name  HE#)   3.540    1.740    1.740  
assign (resid   9 and name  HG*)   (resid 117 and name   HA)   3.620    1.820    1.820  
assign (resid   9 and name  HG*)   (resid 117 and name  HB#)   2.980    1.180    1.180  
assign (resid   9 and name  HG*)   (resid 117 and name  HD#)   3.135    1.335    1.335  
assign (resid   9 and name  HG*)   (resid 118 and name  HB#)   2.850    1.050    1.050  
assign (resid   9 and name  HG*)   (resid 118 and name  HG#)   3.375    1.575    1.575  
assign (resid   9 and name  HG*)   (resid 118 and name  HD#)   2.700    0.900    0.900  
assign (resid   9 and name  HG*)   (resid 120 and name  HD#)   2.615    0.815    0.815  
assign (resid   9 and name  HG*)   (resid 121 and name   HN)   3.045    1.245    1.245  
assign (resid   9 and name  HG*)   (resid 121 and name  HB#)   2.930    1.130    1.130  
assign (resid   9 and name  HG*)   (resid 121 and name   HG)   3.195    1.395    1.395  
assign (resid   9 and name  HG*)   (resid 121 and name  HD#)   2.450    0.650    0.650  
assign (resid   9 and name  HG*)   (resid 122 and name   HN)   3.485    1.685    1.685  
assign (resid  10 and name  HB#)   (resid  11 and name   HN)   2.505    0.705    0.705  
assign (resid  10 and name  HG#)   (resid  11 and name   HN)   3.415    1.615    1.615  
assign (resid  10 and name  HD#)   (resid  13 and name HG2#)   2.945    1.145    1.145  
assign (resid  11 and name   HN)   (resid  11 and name  HB#)   2.455    0.655    0.655  
assign (resid  11 and name  HB#)   (resid  12 and name  HA#)   3.145    1.345    1.345  
assign (resid  11 and name  HB#)   (resid  13 and name   HN)   3.570    1.770    1.770  
assign (resid  11 and name  HB#)   (resid  27 and name   HA)   3.320    1.520    1.520  
assign (resid  11 and name  HB#)   (resid  28 and name   HA)   3.060    1.260    1.260  
assign (resid  12 and name  HA#)   (resid  13 and name   HA)   3.340    1.540    1.540  
assign (resid  13 and name HG2#)   (resid 118 and name  HB#)   2.815    1.015    1.015  
assign (resid  13 and name HG2#)   (resid 118 and name  HG#)   2.550    0.750    0.750  
assign (resid  13 and name HG2#)   (resid 118 and name  HD#)   2.920    1.120    1.120  
assign (resid  14 and name   HA)   (resid  25 and name  HB#)   3.085    1.285    1.285  
assign (resid  14 and name  HB#)   (resid  15 and name   HN)   2.650    0.850    0.850  
assign (resid  14 and name  HB#)   (resid  25 and name   HA)   3.100    1.300    1.300  
assign (resid  14 and name  HB#)   (resid  26 and name   HN)   3.305    1.505    1.505  
assign (resid  15 and name   HN)   (resid  24 and name  HB#)   3.195    1.395    1.395  
assign (resid  15 and name  HB#)   (resid  24 and name  HB#)   3.085    1.285    1.285  
assign (resid  15 and name  HB#)   (resid 118 and name  HD#)   3.305    1.505    1.505  
assign (resid  16 and name   HN)   (resid  16 and name  HB#)   2.395    0.595    0.595  
assign (resid  16 and name  HB#)   (resid  17 and name   HN)   3.010    1.210    1.210  
assign (resid  17 and name   HN)   (resid  17 and name  HB#)   2.445    0.645    0.645  
assign (resid  17 and name   HA)   (resid  18 and name  HD#)   2.500    0.700    0.700  
assign (resid  17 and name   HA)   (resid 109 and name  HG*)   3.620    1.820    1.820  
assign (resid  17 and name  HB#)   (resid  18 and name  HD#)   2.470    0.670    0.670  
assign (resid  17 and name  HB#)   (resid  21 and name  HB#)   2.410    0.610    0.610  
assign (resid  17 and name  HB#)   (resid  21 and name  HD#)   3.010    1.210    1.210  
assign (resid  17 and name  HB#)   (resid  22 and name   HN)   2.660    0.860    0.860  
assign (resid  17 and name  HB#)   (resid 109 and name  HG*)   2.980    1.180    1.180  
assign (resid  17 and name  HD#)   (resid  18 and name  HG#)   3.575    1.775    1.775  
assign (resid  17 and name  HD#)   (resid  18 and name  HD#)   2.585    0.785    0.785  
assign (resid  17 and name  HD#)   (resid  21 and name  HB#)   3.070    1.270    1.270  
assign (resid  17 and name  HD#)   (resid  21 and name  HD#)   2.830    1.030    1.030  
assign (resid  17 and name  HD#)   (resid  24 and name  HB#)   2.420    0.620    0.620  
assign (resid  17 and name  HD#)   (resid  24 and name  HG#)   2.960    1.160    1.160  
assign (resid  17 and name  HD#)   (resid 109 and name  HG*)   3.135    1.335    1.335  
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assign (resid  17 and name  HE#)   (resid  24 and name  HB#)   2.670    0.870    0.870  
assign (resid  17 and name   HZ)   (resid  24 and name  HB#)   3.570    1.770    1.770  
assign (resid  18 and name  HB#)   (resid  19 and name   HN)   2.620    0.820    0.820  
assign (resid  18 and name  HB#)   (resid 109 and name  HG*)   2.850    1.050    1.050  
assign (resid  18 and name  HB#)   (resid 113 and name HG2#)   2.815    1.015    1.015  
assign (resid  18 and name  HG#)   (resid  19 and name   HN)   3.415    1.615    1.615  
assign (resid  18 and name  HG#)   (resid 109 and name  HG*)   3.375    1.575    1.575  
assign (resid  18 and name  HG#)   (resid 113 and name HG2#)   2.550    0.750    0.750  
assign (resid  18 and name  HD#)   (resid 109 and name  HG*)   2.700    0.900    0.900  
assign (resid  18 and name  HD#)   (resid 113 and name HG2#)   2.920    1.120    1.120  
assign (resid  18 and name  HD#)   (resid 115 and name  HB#)   3.305    1.505    1.505  
assign (resid  18 and name  HD#)   (resid 126 and name  HE#)   3.575    1.775    1.775  
assign (resid  19 and name  HB#)   (resid  19 and name  HD1)   2.500    0.700    0.700  
assign (resid  19 and name  HB#)   (resid  19 and name  HE3)   2.545    0.745    0.745  
assign (resid  19 and name  HB#)   (resid  19 and name  HE1)   3.200    1.400    1.400  
assign (resid  19 and name  HD1)   (resid  20 and name  HB#)   3.295    1.495    1.495  
assign (resid  19 and name  HE3)   (resid  20 and name  HB#)   3.315    1.515    1.515  
assign (resid  19 and name  HE3)   (resid  20 and name  HG#)   3.575    1.775    1.775  
assign (resid  19 and name  HE1)   (resid  20 and name  HB#)   3.140    1.340    1.340  
assign (resid  19 and name  HZ3)   (resid  20 and name  HB#)   3.570    1.770    1.770  
assign (resid  19 and name  HZ3)   (resid  20 and name  HG#)   3.575    1.775    1.775  
assign (resid  19 and name  HH2)   (resid  20 and name  HB#)   3.570    1.770    1.770  
assign (resid  19 and name  HH2)   (resid  20 and name  HG#)   3.575    1.775    1.775  
assign (resid  20 and name  HG#)   (resid  21 and name   HN)   3.415    1.615    1.615  
assign (resid  20 and name  HD#)   (resid  21 and name   HN)   2.940    1.140    1.140  
assign (resid  20 and name  HD#)   (resid 109 and name   HA)   3.020    1.220    1.220  
assign (resid  20 and name  HD#)   (resid 109 and name  HG*)   2.615    0.815    0.815  
assign (resid  21 and name   HN)   (resid  21 and name  HD#)   3.135    1.335    1.335  
assign (resid  21 and name   HN)   (resid 107 and name  HB#)   2.880    1.080    1.080  
assign (resid  21 and name   HN)   (resid 109 and name  HG*)   3.045    1.245    1.245  
assign (resid  21 and name   HA)   (resid  21 and name  HD#)   2.465    0.665    0.665  
assign (resid  21 and name   HA)   (resid  24 and name HE2#)   3.385    1.585    1.585  
assign (resid  21 and name  HB#)   (resid  21 and name  HD#)   2.285    0.485    0.485  
assign (resid  21 and name  HB#)   (resid  22 and name   HN)   2.675    0.875    0.875  
assign (resid  21 and name  HB#)   (resid  24 and name HE2#)   3.490    1.690    1.690  
assign (resid  21 and name  HB#)   (resid 109 and name  HG*)   2.930    1.130    1.130  
assign (resid  21 and name   HG)   (resid 109 and name  HG*)   3.195    1.395    1.395  
assign (resid  21 and name  HD#)   (resid  24 and name  HG#)   2.795    0.995    0.995  
assign (resid  21 and name  HD#)   (resid  24 and name HE2#)   3.060    1.260    1.260  
assign (resid  21 and name  HD#)   (resid 102 and name   HN)   3.620    1.820    1.820  
assign (resid  21 and name  HD#)   (resid 102 and name  HD#)   2.590    0.790    0.790  
assign (resid  21 and name  HD#)   (resid 102 and name  HE#)   2.945    1.145    1.145  
assign (resid  21 and name  HD#)   (resid 104 and name   HN)   2.820    1.020    1.020  
assign (resid  21 and name  HD#)   (resid 104 and name  HB#)   2.590    0.790    0.790  
assign (resid  21 and name  HD#)   (resid 104 and name  HD1)   3.210    1.410    1.410  
assign (resid  21 and name  HD#)   (resid 107 and name   HN)   3.285    1.485    1.485  
assign (resid  21 and name  HD#)   (resid 107 and name  HB#)   2.645    0.845    0.845  
assign (resid  21 and name  HD#)   (resid 108 and name   HA)   3.370    1.570    1.570  
assign (resid  21 and name  HD#)   (resid 109 and name   HN)   3.275    1.475    1.475  
assign (resid  21 and name  HD#)   (resid 109 and name  HG*)   2.450    0.650    0.650  
assign (resid  22 and name   HN)   (resid 109 and name  HG*)   3.485    1.685    1.685  
assign (resid  22 and name  HA#)   (resid  23 and name   HN)   2.295    0.495    0.495  
assign (resid  23 and name   HN)   (resid  23 and name  HB#)   2.355    0.555    0.555  
assign (resid  23 and name  HB#)   (resid  23 and name  HD2)   2.565    0.765    0.765  
assign (resid  23 and name  HB#)   (resid  24 and name   HN)   2.840    1.040    1.040  
assign (resid  24 and name   HN)   (resid  24 and name  HB#)   2.500    0.700    0.700  
assign (resid  24 and name   HN)   (resid  24 and name  HG#)   2.675    0.875    0.875  
assign (resid  24 and name   HA)   (resid  24 and name HE2#)   3.570    1.770    1.770  
assign (resid  24 and name  HB#)   (resid  25 and name   HN)   2.725    0.925    0.925  
assign (resid  24 and name  HB#)   (resid  26 and name  HE#)   3.345    1.545    1.545  
assign (resid  24 and name  HB#)   (resid  26 and name   HZ)   3.260    1.460    1.460  
assign (resid  24 and name  HB#)   (resid 104 and name  HD1)   3.570    1.770    1.770  
assign (resid  24 and name  HB#)   (resid 104 and name  HE1)   3.570    1.770    1.770  
assign (resid  24 and name  HG#)   (resid  24 and name HE2#)   2.390    0.590    0.590  
assign (resid  24 and name  HG#)   (resid  25 and name   HN)   3.435    1.635    1.635  
assign (resid  24 and name  HG#)   (resid 104 and name  HD1)   2.685    0.885    0.885  
assign (resid  24 and name  HG#)   (resid 104 and name  HE1)   3.570    1.770    1.770  
assign (resid  24 and name HE2#)   (resid  25 and name   HN)   3.570    1.770    1.770  
assign (resid  25 and name   HN)   (resid  25 and name  HB#)   2.520    0.720    0.720  
assign (resid  25 and name  HB#)   (resid  26 and name   HN)   2.790    0.990    0.990  
assign (resid  26 and name   HA)   (resid  27 and name  HG#)   3.325    1.525    1.525  
assign (resid  26 and name   HA)   (resid  27 and name  HD#)   2.405    0.605    0.605  
assign (resid  26 and name  HD#)   (resid  27 and name  HD#)   3.135    1.335    1.335  
assign (resid  26 and name  HE#)   (resid 104 and name  HB#)   3.570    1.770    1.770  
assign (resid  26 and name  HE#)   (resid 118 and name  HD#)   3.575    1.775    1.775  
assign (resid  27 and name  HB#)   (resid  28 and name   HN)   2.915    1.115    1.115  
assign (resid  27 and name  HG#)   (resid  28 and name   HN)   2.850    1.050    1.050  
assign (resid  27 and name  HD#)   (resid  28 and name   HN)   2.870    1.070    1.070  
assign (resid  28 and name   HN)   (resid  28 and name  HB#)   2.540    0.740    0.740  
assign (resid 101 and name   HN)   (resid 111 and name  HB#)   3.160    1.360    1.360  
assign (resid 101 and name   HN)   (resid 128 and name  HB#)   3.085    1.285    1.285  
assign (resid 101 and name  HA#)   (resid 102 and name   HN)   2.330    0.530    0.530  
assign (resid 101 and name  HA#)   (resid 109 and name  HG*)   3.080    1.280    1.280  
assign (resid 101 and name  HA#)   (resid 111 and name   HN)   3.305    1.505    1.505  
assign (resid 101 and name  HA#)   (resid 111 and name   HA)   3.000    1.200    1.200  
assign (resid 101 and name  HA#)   (resid 126 and name  HB2)   3.290    1.490    1.490  
assign (resid 101 and name  HA#)   (resid 126 and name  HB1)   3.180    1.380    1.380  
assign (resid 101 and name  HA#)   (resid 128 and name   HN)   3.570    1.770    1.770  
assign (resid 102 and name   HN)   (resid 102 and name  HB#)   2.645    0.845    0.845  
assign (resid 102 and name   HN)   (resid 109 and name  HG*)   2.595    0.795    0.795  
assign (resid 102 and name   HA)   (resid 109 and name  HG*)   3.580    1.780    1.780  
assign (resid 102 and name  HB#)   (resid 109 and name   HN)   3.510    1.710    1.710  
assign (resid 102 and name  HB#)   (resid 109 and name  HG*)   2.480    0.680    0.680  
assign (resid 102 and name  HB#)   (resid 126 and name  HB1)   3.115    1.315    1.315  
assign (resid 102 and name  HB#)   (resid 126 and name  HD#)   2.755    0.955    0.955  
assign (resid 102 and name  HD#)   (resid 104 and name  HB#)   3.040    1.240    1.240  
assign (resid 102 and name  HD#)   (resid 109 and name  HG*)   2.655    0.855    0.855  
assign (resid 102 and name  HE#)   (resid 104 and name  HB#)   2.860    1.060    1.060  
assign (resid 102 and name  HE#)   (resid 109 and name  HG*)   3.530    1.730    1.730  
assign (resid 103 and name   HN)   (resid 103 and name  HB#)   2.670    0.870    0.870  
assign (resid 103 and name  HB#)   (resid 104 and name   HN)   2.770    0.970    0.970  
assign (resid 103 and name  HB#)   (resid 107 and name   HN)   3.570    1.770    1.770  
assign (resid 103 and name  HB#)   (resid 108 and name   HA)   3.155    1.355    1.355  
assign (resid 104 and name   HN)   (resid 107 and name  HB#)   3.480    1.680    1.680  
assign (resid 104 and name  HD1)   (resid 105 and name  HB#)   3.010    1.210    1.210  
assign (resid 105 and name  HB#)   (resid 106 and name   HN)   3.075    1.275    1.275  
assign (resid 105 and name  HB#)   (resid 106 and name  HD2)   3.425    1.625    1.625  
assign (resid 107 and name  HB#)   (resid 108 and name   HN)   2.675    0.875    0.875  
assign (resid 108 and name   HA)   (resid 109 and name  HG*)   2.885    1.085    1.085  
assign (resid 108 and name  HB#)   (resid 109 and name  HG*)   3.620    1.820    1.820  
assign (resid 109 and name   HN)   (resid 109 and name  HG*)   2.475    0.675    0.675  
assign (resid 109 and name   HA)   (resid 110 and name  HG#)   3.165    1.365    1.365  
assign (resid 109 and name   HA)   (resid 110 and name  HD#)   2.220    0.420    0.420  
assign (resid 109 and name   HB)   (resid 110 and name  HD#)   2.630    0.830    0.830  
assign (resid 109 and name  HG*)   (resid 110 and name   HA)   3.620    1.820    1.820  
assign (resid 109 and name  HG*)   (resid 110 and name  HD#)   2.695    0.895    0.895  
assign (resid 109 and name  HG*)   (resid 113 and name   HB)   2.825    1.025    1.025  
assign (resid 109 and name  HG*)   (resid 113 and name HG2#)   2.585    0.785    0.785  
assign (resid 109 and name  HG*)   (resid 126 and name  HB2)   3.620    1.820    1.820  
assign (resid 109 and name  HG*)   (resid 126 and name  HD#)   3.085    1.285    1.285  
assign (resid 109 and name  HG*)   (resid 126 and name  HE#)   3.540    1.740    1.740  
assign (resid 110 and name  HB#)   (resid 111 and name   HN)   2.505    0.705    0.705  
assign (resid 110 and name  HG#)   (resid 111 and name   HN)   3.415    1.615    1.615  
assign (resid 110 and name  HD#)   (resid 113 and name HG2#)   2.945    1.145    1.145  
assign (resid 111 and name   HN)   (resid 111 and name  HB#)   2.455    0.655    0.655  
assign (resid 111 and name  HB#)   (resid 112 and name  HA#)   3.145    1.345    1.345  
assign (resid 111 and name  HB#)   (resid 113 and name   HN)   3.570    1.770    1.770  
assign (resid 111 and name  HB#)   (resid 127 and name   HA)   3.320    1.520    1.520  
assign (resid 111 and name  HB#)   (resid 128 and name   HA)   3.060    1.260    1.260  
assign (resid 112 and name  HA#)   (resid 113 and name   HA)   3.340    1.540    1.540  
assign (resid 114 and name   HA)   (resid 125 and name  HB#)   3.085    1.285    1.285  
assign (resid 114 and name  HB#)   (resid 115 and name   HN)   2.650    0.850    0.850  
assign (resid 114 and name  HB#)   (resid 125 and name   HA)   3.100    1.300    1.300  
assign (resid 114 and name  HB#)   (resid 126 and name   HN)   3.305    1.505    1.505  
assign (resid 115 and name   HN)   (resid 124 and name  HB#)   3.195    1.395    1.395  
assign (resid 115 and name  HB#)   (resid 124 and name  HB#)   3.085    1.285    1.285  
assign (resid 116 and name   HN)   (resid 116 and name  HB#)   2.395    0.595    0.595  
assign (resid 116 and name  HB#)   (resid 117 and name   HN)   3.010    1.210    1.210  
assign (resid 117 and name   HN)   (resid 117 and name  HB#)   2.445    0.645    0.645  
assign (resid 117 and name   HA)   (resid 118 and name  HD#)   2.500    0.700    0.700  
assign (resid 117 and name  HB#)   (resid 118 and name  HD#)   2.470    0.670    0.670  
assign (resid 117 and name  HB#)   (resid 121 and name  HB#)   2.410    0.610    0.610  
assign (resid 117 and name  HB#)   (resid 121 and name  HD#)   3.010    1.210    1.210  
assign (resid 117 and name  HB#)   (resid 122 and name   HN)   2.660    0.860    0.860  
assign (resid 117 and name  HD#)   (resid 118 and name  HG#)   3.575    1.775    1.775  
assign (resid 117 and name  HD#)   (resid 118 and name  HD#)   2.585    0.785    0.785  
assign (resid 117 and name  HD#)   (resid 121 and name  HB#)   3.070    1.270    1.270  
assign (resid 117 and name  HD#)   (resid 121 and name  HD#)   2.830    1.030    1.030  
assign (resid 117 and name  HD#)   (resid 124 and name  HB#)   2.420    0.620    0.620  
assign (resid 117 and name  HD#)   (resid 124 and name  HG#)   2.960    1.160    1.160  
assign (resid 117 and name  HE#)   (resid 121 and name  HD#)   3.390    1.590    1.590  
assign (resid 117 and name  HE#)   (resid 124 and name  HB#)   2.670    0.870    0.870  
assign (resid 117 and name   HZ)   (resid 124 and name  HB#)   3.570    1.770    1.770  
assign (resid 118 and name  HB#)   (resid 119 and name   HN)   2.620    0.820    0.820  
assign (resid 118 and name  HG#)   (resid 119 and name   HN)   3.415    1.615    1.615  
assign (resid 119 and name  HB#)   (resid 119 and name  HD1)   2.500    0.700    0.700  
assign (resid 119 and name  HB#)   (resid 119 and name  HE3)   2.545    0.745    0.745  
assign (resid 119 and name  HB#)   (resid 119 and name  HE1)   3.200    1.400    1.400  
assign (resid 119 and name  HD1)   (resid 120 and name  HB#)   3.295    1.495    1.495  
assign (resid 119 and name  HE3)   (resid 120 and name  HB#)   3.315    1.515    1.515  
assign (resid 119 and name  HE3)   (resid 120 and name  HG#)   3.575    1.775    1.775  
assign (resid 119 and name  HE1)   (resid 120 and name  HB#)   3.140    1.340    1.340  
assign (resid 119 and name  HZ3)   (resid 120 and name  HB#)   3.570    1.770    1.770  
assign (resid 119 and name  HZ3)   (resid 120 and name  HG#)   3.575    1.775    1.775  
assign (resid 119 and name  HH2)   (resid 120 and name  HB#)   3.570    1.770    1.770  
assign (resid 119 and name  HH2)   (resid 120 and name  HG#)   3.575    1.775    1.775  
assign (resid 120 and name  HG#)   (resid 121 and name   HN)   3.415    1.615    1.615  
assign (resid 120 and name  HD#)   (resid 121 and name   HN)   2.940    1.140    1.140  
assign (resid 121 and name   HN)   (resid 121 and name  HD#)   3.135    1.335    1.335  
assign (resid 121 and name   HA)   (resid 121 and name  HD#)   2.465    0.665    0.665  
assign (resid 121 and name   HA)   (resid 124 and name HE2#)   3.385    1.585    1.585  
assign (resid 121 and name  HB#)   (resid 121 and name  HD#)   2.285    0.485    0.485  
assign (resid 121 and name  HB#)   (resid 122 and name   HN)   2.675    0.875    0.875  
assign (resid 121 and name  HB#)   (resid 124 and name HE2#)   3.490    1.690    1.690  
assign (resid 121 and name  HD#)   (resid 124 and name  HG#)   2.795    0.995    0.995  
assign (resid 121 and name  HD#)   (resid 124 and name HE2#)   3.060    1.260    1.260  
assign (resid 122 and name  HA#)   (resid 123 and name   HN)   2.295    0.495    0.495  
assign (resid 123 and name   HN)   (resid 123 and name  HB#)   2.355    0.555    0.555  
assign (resid 123 and name  HB#)   (resid 123 and name  HD2)   2.565    0.765    0.765  
assign (resid 123 and name  HB#)   (resid 124 and name   HN)   2.840    1.040    1.040  
assign (resid 124 and name   HN)   (resid 124 and name  HB#)   2.500    0.700    0.700  
assign (resid 124 and name   HN)   (resid 124 and name  HG#)   2.675    0.875    0.875  
assign (resid 124 and name   HA)   (resid 124 and name HE2#)   3.570    1.770    1.770  
assign (resid 124 and name  HB#)   (resid 125 and name   HN)   2.725    0.925    0.925  
assign (resid 124 and name  HB#)   (resid 126 and name  HE#)   3.345    1.545    1.545  
assign (resid 124 and name  HB#)   (resid 126 and name   HZ)   3.260    1.460    1.460  
assign (resid 124 and name  HG#)   (resid 124 and name HE2#)   2.390    0.590    0.590  
assign (resid 124 and name  HG#)   (resid 125 and name   HN)   3.435    1.635    1.635  
assign (resid 124 and name HE2#)   (resid 125 and name   HN)   3.570    1.770    1.770  
assign (resid 125 and name   HN)   (resid 125 and name  HB#)   2.520    0.720    0.720  
assign (resid 125 and name  HB#)   (resid 126 and name   HN)   2.790    0.990    0.990  
assign (resid 126 and name   HA)   (resid 127 and name  HG#)   3.325    1.525    1.525  
assign (resid 126 and name   HA)   (resid 127 and name  HD#)   2.405    0.605    0.605  
assign (resid 126 and name  HD#)   (resid 127 and name  HD#)   3.135    1.335    1.335  
assign (resid 127 and name  HB#)   (resid 128 and name   HN)   2.915    1.115    1.115  
assign (resid 127 and name  HG#)   (resid 128 and name   HN)   2.850    1.050    1.050  
assign (resid 127 and name  HD#)   (resid 128 and name   HN)   2.870    1.070    1.070  
assign (resid 128 and name   HN)   (resid 128 and name  HB#)   2.540    0.740    0.740  
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HN       GLY   1  -6.082  -7.374   4.590
    2    HA2  GLY   1           HA2      GLY   1  -7.267  -5.654   3.504
    3    HA3  GLY   1           HA1      GLY   1  -7.910  -5.143   5.066
    4    H    PHE   2           HN       PHE   2  -7.047  -3.058   3.952
    5    HA   PHE   2           HA       PHE   2  -4.464  -2.566   5.171
    6    HB2  PHE   2           HB2      PHE   2  -3.918  -3.289   2.878
    7    HB3  PHE   2           HB1      PHE   2  -4.962  -2.034   2.236
    8    HD1  PHE   2           HD1      PHE   2  -3.852  -0.239   1.360
    9    HD2  PHE   2           HD2      PHE   2  -2.151  -2.250   4.695
   10    HE1  PHE   2           HE1      PHE   2  -1.939   1.302   1.310
   11    HE2  PHE   2           HE2      PHE   2  -0.234  -0.696   4.652
   12    HZ   PHE   2           HZ       PHE   2  -0.130   1.071   2.956
   13    H    CYS   3           HN       CYS   3  -4.482  -0.713   6.152
   14    HA   CYS   3           HA       CYS   3  -6.387   1.336   5.333
   15    HB2  CYS   3           HB2      CYS   3  -5.394   0.649   8.107
   16    HB3  CYS   3           HB1      CYS   3  -6.367   2.056   7.706
   17    H    TRP   4           HN       TRP   4  -5.471   3.089   4.691
   18    HA   TRP   4           HA       TRP   4  -2.903   3.877   5.767
   19    HB2  TRP   4           HB2      TRP   4  -2.509   2.491   3.738
   20    HB3  TRP   4           HB1      TRP   4  -3.482   3.603   2.803
   21    HD1  TRP   4           HD1      TRP   4  -2.124   5.482   1.639
   22    HE1  TRP   4           HE1      TRP   4   0.276   6.433   1.872
   23    HE3  TRP   4          3HE       TRP   4  -0.605   2.849   5.744
   24    HZ2  TRP   4           HZ2      TRP   4   2.495   6.110   3.599
   25    HZ3  TRP   4           HZ3      TRP   4   1.658   3.227   6.625
   26    HH2  TRP   4          2HH       TRP   4   3.176   4.822   5.571
   27    H    HIS   5           HN       HIS   5  -3.208   5.854   6.421
   28    HA   HIS   5           HA       HIS   5  -3.906   7.971   6.697
   29    HB2  HIS   5           HB2      HIS   5  -4.492   7.835   3.718
   30    HB3  HIS   5           HB1      HIS   5  -4.588   9.312   4.668
   31    HD1  HIS   5           HD1      HIS   5  -2.464   8.264   2.261
   32    HD2  HIS   5           HD2      HIS   5  -1.778   9.110   6.273
   33    HE1  HIS   5           HE1      HIS   5  -0.019   8.810   2.451
   34    H    HIS   6           HN       HIS   6  -5.596   5.813   7.167
   35    HA   HIS   6           HA       HIS   6  -7.566   5.426   8.120
   36    HB2  HIS   6           HB2      HIS   6  -8.294   8.261   7.367
   37    HB3  HIS   6           HB1      HIS   6  -9.416   7.177   8.177
   38    HD1  HIS   6           HD1      HIS   6  -9.284   7.157  10.700
   39    HD2  HIS   6           HD2      HIS   6  -5.901   8.780   8.923
   40    HE1  HIS   6           HE1      HIS   6  -7.873   8.064  12.581
   41    H    SER   7           HN       SER   7  -7.116   5.765   4.938
   42    HA   SER   7           HA       SER   7  -9.778   4.944   4.195
   43    HB2  SER   7           HB2      SER   7  -7.210   5.207   2.614
   44    HB3  SER   7           HB1      SER   7  -8.803   4.883   1.924
   45    HG   SER   7           HG       SER   7  -9.420   6.870   2.316
   46    H    CYS   8           HN       CYS   8 -10.350   2.854   4.225
   47    HA   CYS   8           HA       CYS   8  -8.217   0.851   4.439
   48    HB2  CYS   8           HB2      CYS   8 -10.935   0.866   5.735
   49    HB3  CYS   8           HB1      CYS   8  -9.780  -0.456   5.811
   50    H    VAL   9           HN       VAL   9  -8.224  -0.710   3.045
   51    HA   VAL   9           HA       VAL   9 -10.665  -1.294   1.545
   52    HB   VAL   9           HB       VAL   9  -9.085  -2.598  -0.029
   53   HG11  VAL   9          HG11      VAL   9 -10.107  -0.592  -0.779
   54   HG12  VAL   9          HG12      VAL   9  -8.405  -0.507  -1.248
   55   HG13  VAL   9          3HG1      VAL   9  -8.999   0.391   0.156
   56   HG21  VAL   9          HG21      VAL   9  -7.023  -0.884   1.369
   57   HG22  VAL   9          HG22      VAL   9  -6.745  -1.816  -0.101
   58   HG23  VAL   9          HG23      VAL   9  -7.116  -2.645   1.412
   59    HA   PRO  10           HA       PRO  10 -11.130  -4.957   3.838
   60    HB2  PRO  10           HB2      PRO  10 -12.425  -6.549   2.083
   61    HB3  PRO  10           HB1      PRO  10 -13.176  -5.131   2.828
   62    HG2  PRO  10           HG2      PRO  10 -11.891  -5.374   0.130
   63    HG3  PRO  10           HG1      PRO  10 -13.458  -4.657   0.550
   64    HD2  PRO  10           HD2      PRO  10 -11.297  -3.130   0.168
   65    HD3  PRO  10           HD1      PRO  10 -12.490  -2.741   1.426
   66    H    SER  11           HN       SER  11 -10.694  -7.263   3.927
   67    HA   SER  11           HA       SER  11  -8.141  -7.982   3.054
   68    HB2  SER  11           HB2      SER  11  -8.887 -10.261   3.867
   69    HB3  SER  11           HB1      SER  11  -9.052  -8.953   5.037
   70    HG   SER  11           HG       SER  11 -11.152  -9.716   3.325
   71    H    GLY  12           HN       GLY  12  -7.484  -8.914   1.209
   72    HA2  GLY  12           HA2      GLY  12  -7.956 -10.519  -0.581
   73    HA3  GLY  12           HA1      GLY  12  -9.584  -9.851  -0.631
   74    H    THR  13           HN       THR  13  -8.033  -7.203  -0.109
   75    HA   THR  13           HA       THR  13  -7.883  -6.473  -2.866
   76    HB   THR  13           HB       THR  13  -6.954  -4.886  -0.452
   77    HG1  THR  13           HG1      THR  13  -9.038  -5.168   0.016
   78   HG21  THR  13          HG21      THR  13  -7.456  -2.949  -1.897
   79   HG22  THR  13          HG22      THR  13  -7.922  -4.045  -3.198
   80   HG23  THR  13          HG23      THR  13  -6.250  -3.999  -2.642
   81    H    CYS  14           HN       CYS  14  -6.149  -6.803  -4.105
   82    HA   CYS  14           HA       CYS  14  -3.539  -7.121  -2.829
   83    HB2  CYS  14           HB2      CYS  14  -4.374  -8.085  -5.570
   84    HB3  CYS  14           HB1      CYS  14  -2.918  -8.509  -4.691
   85    H    ALA  15           HN       ALA  15  -1.941  -5.695  -3.465
   86    HA   ALA  15           HA       ALA  15  -2.645  -3.899  -5.664
   87    HB1  ALA  15           HB1      ALA  15  -1.380  -3.095  -3.046
   88    HB2  ALA  15           HB2      ALA  15  -3.042  -2.764  -3.531
   89    HB3  ALA  15           HB3      ALA  15  -1.702  -2.027  -4.413
   90    H    ASP  16           HN       ASP  16  -0.978  -3.223  -6.924
   91    HA   ASP  16           HA       ASP  16   1.438  -4.827  -6.767
   92    HB2  ASP  16           HB2      ASP  16   0.137  -4.616  -8.913
   93    HB3  ASP  16           HB1      ASP  16   0.550  -2.906  -8.932
   94    H    PHE  17           HN       PHE  17   2.937  -3.984  -5.520
   95    HA   PHE  17           HA       PHE  17   3.289  -1.096  -5.345
   96    HB2  PHE  17           HB2      PHE  17   4.346  -3.430  -3.757
   97    HB3  PHE  17           HB1      PHE  17   4.946  -1.797  -3.543
   98    HD1  PHE  17           HD1      PHE  17   3.847  -0.299  -2.174
   99    HD2  PHE  17           HD2      PHE  17   1.931  -3.924  -3.269
  100    HE1  PHE  17           HE1      PHE  17   2.110   0.121  -0.495
  101    HE2  PHE  17           HE2      PHE  17   0.183  -3.507  -1.594
  102    HZ   PHE  17           HZ       PHE  17   0.283  -1.458  -0.204
  103    HA   PRO  18           HA       PRO  18   7.081  -1.320  -7.738
  104    HB2  PRO  18           HB2      PRO  18   8.524   0.330  -5.789
  105    HB3  PRO  18           HB1      PRO  18   8.059   0.729  -7.442
  106    HG2  PRO  18           HG2      PRO  18   6.913   1.885  -5.283
  107    HG3  PRO  18           HG1      PRO  18   6.043   1.619  -6.798
  108    HD2  PRO  18           HD2      PRO  18   5.928   0.081  -4.249
  109    HD3  PRO  18           HD1      PRO  18   4.624   0.499  -5.381
  110    H    TRP  19           HN       TRP  19   9.448  -1.829  -7.449
  111    HA   TRP  19           HA       TRP  19   9.773  -4.141  -5.833
  112    HB2  TRP  19           HB2      TRP  19  10.856  -3.693  -8.091
  113    HB3  TRP  19           HB1      TRP  19  11.894  -2.524  -7.286
  114    HD1  TRP  19           HD1      TRP  19  11.263  -6.298  -7.549
  115    HE1  TRP  19           HE1      TRP  19  13.355  -7.537  -6.715
  116    HE3  TRP  19          3HE       TRP  19  13.943  -2.305  -5.837
  117    HZ2  TRP  19           HZ2      TRP  19  15.818  -6.904  -5.508
  118    HZ3  TRP  19           HZ3      TRP  19  16.166  -2.704  -4.865
  119    HH2  TRP  19          2HH       TRP  19  17.083  -4.958  -4.703
  120    HA   PRO  20           HA       PRO  20  11.380  -5.218  -4.773
  121    HB2  PRO  20           HB2      PRO  20  12.019  -5.933  -2.146
  122    HB3  PRO  20           HB1      PRO  20  13.159  -5.616  -3.453
  123    HG2  PRO  20           HG2      PRO  20  12.829  -4.079  -1.112
  124    HG3  PRO  20           HG1      PRO  20  13.754  -3.632  -2.553
  125    HD2  PRO  20           HD2      PRO  20  10.990  -2.842  -1.753
  126    HD3  PRO  20           HD1      PRO  20  12.223  -1.911  -2.628
  127    H    LEU  21           HN       LEU  21   8.988  -3.655  -3.387
  128    HA   LEU  21           HA       LEU  21   7.778  -5.619  -1.718
  129    HB2  LEU  21           HB2      LEU  21   6.757  -3.131  -3.044
  130    HB3  LEU  21           HB1      LEU  21   5.703  -4.186  -2.126
  131    HG   LEU  21           HG       LEU  21   8.164  -2.917  -0.924
  132   HD11  LEU  21          HD11      LEU  21   5.294  -1.985  -0.830
  133   HD12  LEU  21          HD12      LEU  21   6.600  -1.170  -1.697
  134   HD13  LEU  21          HD13      LEU  21   6.650  -1.297   0.063
  135   HD21  LEU  21          HD21      LEU  21   5.677  -4.125   0.222
  136   HD22  LEU  21          HD22      LEU  21   7.038  -3.466   1.136
  137   HD23  LEU  21          HD23      LEU  21   7.245  -4.917   0.155
  138    H    GLY  22           HN       GLY  22   6.808  -4.410  -4.906
  139    HA2  GLY  22           HA2      GLY  22   5.953  -5.569  -6.693
  140    HA3  GLY  22           HA1      GLY  22   6.295  -7.072  -5.842
  141    H    HIS  23           HN       HIS  23   4.252  -7.826  -6.542
  142    HA   HIS  23           HA       HIS  23   1.874  -6.521  -5.694
  143    HB2  HIS  23           HB2      HIS  23   0.655  -8.521  -6.474
  144    HB3  HIS  23           HB1      HIS  23   1.798  -7.948  -7.675
  145    HD1  HIS  23           HD1      HIS  23   0.528 -11.015  -6.578
  146    HD2  HIS  23           HD2      HIS  23   4.392  -9.604  -7.171
  147    HE1  HIS  23           HE1      HIS  23   1.977 -13.039  -6.867
  148    H    GLN  24           HN       GLN  24   1.198  -6.345  -3.766
  149    HA   GLN  24           HA       GLN  24   1.693  -8.512  -1.853
  150    HB2  GLN  24           HB2      GLN  24   1.607  -5.519  -1.366
  151    HB3  GLN  24           HB1      GLN  24   1.694  -6.730  -0.095
  152    HG2  GLN  24           HG2      GLN  24   3.776  -6.364  -2.248
  153    HG3  GLN  24           HG1      GLN  24   3.880  -5.681  -0.626
  154   HE21  GLN  24          1HE2      GLN  24   5.593  -7.676  -2.033
  155   HE22  GLN  24          2HE2      GLN  24   5.609  -9.039  -0.985
  156    H    CYS  25           HN       CYS  25  -0.120  -9.358  -0.991
  157    HA   CYS  25           HA       CYS  25  -2.552  -7.823  -1.443
  158    HB2  CYS  25           HB2      CYS  25  -2.266 -10.027  -2.730
  159    HB3  CYS  25           HB1      CYS  25  -2.447 -10.825  -1.172
  160    H    PHE  26           HN       PHE  26  -4.081  -7.786   0.194
  161    HA   PHE  26           HA       PHE  26  -2.748  -8.092   2.780
  162    HB2  PHE  26           HB2      PHE  26  -4.961  -6.222   1.974
  163    HB3  PHE  26           HB1      PHE  26  -4.144  -6.243   3.531
  164    HD1  PHE  26           HD1      PHE  26  -1.641  -5.806   3.557
  165    HD2  PHE  26           HD2      PHE  26  -4.113  -4.980   0.196
  166    HE1  PHE  26           HE1      PHE  26   0.071  -4.291   2.675
  167    HE2  PHE  26           HE2      PHE  26  -2.405  -3.459  -0.693
  168    HZ   PHE  26           HZ       PHE  26  -0.299  -3.125   0.558
  169    HA   PRO  27           HA       PRO  27  -6.035 -11.154   3.427
  170    HB2  PRO  27           HB2      PRO  27  -4.881 -12.384   5.541
  171    HB3  PRO  27           HB1      PRO  27  -4.365 -12.689   3.880
  172    HG2  PRO  27           HG2      PRO  27  -3.114 -10.953   5.966
  173    HG3  PRO  27           HG1      PRO  27  -2.335 -12.023   4.788
  174    HD2  PRO  27           HD2      PRO  27  -2.531  -9.311   4.499
  175    HD3  PRO  27           HD1      PRO  27  -2.400 -10.434   3.134
  176    H    ASP  28           HN       ASP  28  -4.846  -8.710   5.433
  177    HA   ASP  28           HA       ASP  28  -7.089  -8.976   7.340
  178    HB2  ASP  28           HB2      ASP  28  -4.854  -8.855   8.359
  179    HB3  ASP  28           HB1      ASP  28  -4.523  -7.369   7.493
  180    H1   GLY   1           HN       GLY   1   7.097   7.507   3.113
  181    HA2  GLY   1           HA2      GLY   1   8.128   5.737   2.034
  182    HA3  GLY   1           HA1      GLY   1   9.057   5.419   3.501
  183    H    PHE   2           HN       PHE   2   8.256   3.196   2.657
  184    HA   PHE   2           HA       PHE   2   6.211   2.385   4.494
  185    HB2  PHE   2           HB2      PHE   2   4.865   3.071   2.511
  186    HB3  PHE   2           HB1      PHE   2   5.802   1.973   1.512
  187    HD1  PHE   2           HD1      PHE   2   5.100  -0.231   1.233
  188    HD2  PHE   2           HD2      PHE   2   3.536   2.069   4.452
  189    HE1  PHE   2           HE1      PHE   2   3.498  -2.025   1.731
  190    HE2  PHE   2           HE2      PHE   2   1.932   0.278   4.956
  191    HZ   PHE   2           HZ       PHE   2   1.910  -1.773   3.593
  192    H    CYS   3           HN       CYS   3   6.452   0.170   4.948
  193    HA   CYS   3           HA       CYS   3   8.262  -1.312   3.265
  194    HB2  CYS   3           HB2      CYS   3   9.607  -0.105   5.050
  195    HB3  CYS   3           HB1      CYS   3   8.745  -1.082   6.235
  196    H    TRP   4           HN       TRP   4   7.816  -3.454   3.250
  197    HA   TRP   4           HA       TRP   4   6.002  -4.625   5.187
  198    HB2  TRP   4           HB2      TRP   4   4.634  -3.397   3.414
  199    HB3  TRP   4           HB1      TRP   4   5.343  -4.473   2.231
  200    HD1  TRP   4           HD1      TRP   4   4.492  -7.040   2.275
  201    HE1  TRP   4           HE1      TRP   4   2.277  -8.045   3.123
  202    HE3  TRP   4          3HE       TRP   4   2.914  -3.169   5.190
  203    HZ2  TRP   4           HZ2      TRP   4   0.145  -7.291   4.803
  204    HZ3  TRP   4           HZ3      TRP   4   0.775  -3.378   6.377
  205    HH2  TRP   4          2HH       TRP   4  -0.580  -5.394   6.187
  206    H    HIS   5           HN       HIS   5   6.614  -6.773   5.377
  207    HA   HIS   5           HA       HIS   5   7.813  -8.660   5.152
  208    HB2  HIS   5           HB2      HIS   5   7.191  -8.160   2.231
  209    HB3  HIS   5           HB1      HIS   5   8.095  -9.578   2.752
  210    HD1  HIS   5           HD1      HIS   5   4.917  -9.163   1.599
  211    HD2  HIS   5           HD2      HIS   5   6.346 -10.490   5.262
  212    HE1  HIS   5           HE1      HIS   5   3.087 -10.560   2.601
  213    H    HIS   6           HN       HIS   6   9.161  -6.242   5.372
  214    HA   HIS   6           HA       HIS   6  11.222  -5.468   5.659
  215    HB2  HIS   6           HB2      HIS   6  12.112  -8.152   4.607
  216    HB3  HIS   6           HB1      HIS   6  13.234  -6.909   5.155
  217    HD1  HIS   6           HD1      HIS   6  13.664  -6.806   7.651
  218    HD2  HIS   6           HD2      HIS   6  10.386  -9.150   6.662
  219    HE1  HIS   6           HE1      HIS   6  12.947  -7.940   9.792
  220    H    SER   7           HN       SER   7   9.837  -5.720   2.826
  221    HA   SER   7           HA       SER   7  12.040  -4.584   1.319
  222    HB2  SER   7           HB2      SER   7   9.205  -5.261   0.534
  223    HB3  SER   7           HB1      SER   7  10.505  -4.796  -0.570
  224    HG   SER   7           HG       SER   7  11.619  -6.667   0.528
  225    H    CYS   8           HN       CYS   8  12.275  -2.439   1.545
  226    HA   CYS   8           HA       CYS   8   9.902  -0.896   2.312
  227    HB2  CYS   8           HB2      CYS   8  12.767  -0.067   2.716
  228    HB3  CYS   8           HB1      CYS   8  11.331   0.602   3.464
  229    H    VAL   9           HN       VAL   9   9.497   1.050   1.294
  230    HA   VAL   9           HA       VAL   9  11.133   1.687  -1.038
  231    HB   VAL   9           HB       VAL   9   9.070   2.657  -2.114
  232   HG11  VAL   9          HG11      VAL   9   9.849   0.464  -2.790
  233   HG12  VAL   9          HG12      VAL   9   8.086   0.520  -2.817
  234   HG13  VAL   9          3HG1      VAL   9   8.922  -0.288  -1.491
  235   HG21  VAL   9          HG21      VAL   9   7.698   2.979  -0.114
  236   HG22  VAL   9          HG22      VAL   9   7.609   1.233   0.119
  237   HG23  VAL   9          HG23      VAL   9   6.849   1.974  -1.289
  238    HA   PRO  10           HA       PRO  10  12.054   5.425   0.951
  239    HB2  PRO  10           HB2      PRO  10  12.350   7.117  -1.182
  240    HB3  PRO  10           HB1      PRO  10  13.548   5.919  -0.683
  241    HG2  PRO  10           HG2      PRO  10  11.467   5.735  -2.826
  242    HG3  PRO  10           HG1      PRO  10  13.166   5.230  -2.874
  243    HD2  PRO  10           HD2      PRO  10  11.196   3.459  -2.512
  244    HD3  PRO  10           HD1      PRO  10  12.750   3.292  -1.669
  245    H    SER  11           HN       SER  11  11.460   7.625   1.324
  246    HA   SER  11           HA       SER  11   8.681   8.060   1.508
  247    HB2  SER  11           HB2      SER  11  11.009   9.963   1.927
  248    HB3  SER  11           HB1      SER  11   9.351  10.238   2.460
  249    HG   SER  11           HG       SER  11  10.814   7.939   3.289
  250    H    GLY  12           HN       GLY  12   7.375   8.832  -0.022
  251    HA2  GLY  12           HA2      GLY  12   6.867  10.621  -1.570
  252    HA3  GLY  12           HA1      GLY  12   8.533  10.536  -2.133
  253    H    THR  13           HN       THR  13   7.718   7.440  -1.661
  254    HA   THR  13           HA       THR  13   7.299   6.890  -4.426
  255    HB   THR  13           HB       THR  13   7.052   5.071  -2.002
  256    HG1  THR  13           HG1      THR  13   9.099   5.694  -2.035
  257   HG21  THR  13          HG21      THR  13   7.441   4.380  -4.927
  258   HG22  THR  13          HG22      THR  13   5.960   4.129  -4.005
  259   HG23  THR  13          HG23      THR  13   7.420   3.231  -3.587
  260    H    CYS  14           HN       CYS  14   5.370   6.344  -5.448
  261    HA   CYS  14           HA       CYS  14   2.972   6.477  -3.788
  262    HB2  CYS  14           HB2      CYS  14   3.291   7.581  -6.589
  263    HB3  CYS  14           HB1      CYS  14   1.827   7.619  -5.609
  264    H    ALA  15           HN       ALA  15   1.237   5.162  -4.428
  265    HA   ALA  15           HA       ALA  15   1.800   3.194  -6.499
  266    HB1  ALA  15           HB1      ALA  15   1.132   1.356  -5.008
  267    HB2  ALA  15           HB2      ALA  15   0.991   2.500  -3.671
  268    HB3  ALA  15           HB3      ALA  15   2.565   2.187  -4.397
  269    H    ASP  16           HN       ASP  16  -0.140   2.049  -7.149
  270    HA   ASP  16           HA       ASP  16  -2.463   3.823  -7.018
  271    HB2  ASP  16           HB2      ASP  16  -1.599   3.122  -9.240
  272    HB3  ASP  16           HB1      ASP  16  -1.923   1.450  -8.814
  273    H    PHE  17           HN       PHE  17  -4.114   3.353  -5.721
  274    HA   PHE  17           HA       PHE  17  -4.569   0.550  -4.996
  275    HB2  PHE  17           HB2      PHE  17  -4.884   3.027  -3.292
  276    HB3  PHE  17           HB1      PHE  17  -5.471   1.436  -2.842
  277    HD1  PHE  17           HD1      PHE  17  -3.892  -0.341  -2.306
  278    HD2  PHE  17           HD2      PHE  17  -2.639   3.621  -3.094
  279    HE1  PHE  17           HE1      PHE  17  -1.742  -0.829  -1.236
  280    HE2  PHE  17           HE2      PHE  17  -0.462   3.157  -2.027
  281    HZ   PHE  17           HZ       PHE  17  -0.018   0.922  -1.094
  282    HA   PRO  18           HA       PRO  18  -8.785   1.564  -6.206
  283    HB2  PRO  18           HB2      PRO  18  -9.862  -0.239  -4.177
  284    HB3  PRO  18           HB1      PRO  18  -9.857  -0.446  -5.927
  285    HG2  PRO  18           HG2      PRO  18  -8.367  -1.988  -4.271
  286    HG3  PRO  18           HG1      PRO  18  -7.859  -1.582  -5.919
  287    HD2  PRO  18           HD2      PRO  18  -6.989  -0.374  -3.319
  288    HD3  PRO  18           HD1      PRO  18  -6.023  -0.814  -4.737
  289    H    TRP  19           HN       TRP  19 -10.834   2.313  -5.189
  290    HA   TRP  19           HA       TRP  19 -10.435   4.273  -3.196
  291    HB2  TRP  19           HB2      TRP  19 -12.171   4.263  -5.073
  292    HB3  TRP  19           HB1      TRP  19 -13.055   3.058  -4.152
  293    HD1  TRP  19           HD1      TRP  19 -12.034   6.770  -4.008
  294    HE1  TRP  19           HE1      TRP  19 -13.691   8.005  -2.468
  295    HE3  TRP  19          3HE       TRP  19 -14.693   2.769  -2.310
  296    HZ2  TRP  19           HZ2      TRP  19 -15.844   7.367  -0.775
  297    HZ3  TRP  19           HZ3      TRP  19 -16.547   3.162  -0.739
  298    HH2  TRP  19          2HH       TRP  19 -17.104   5.419   0.011
  299    HA   PRO  20           HA       PRO  20 -11.682   5.212  -1.521
  300    HB2  PRO  20           HB2      PRO  20 -11.514   5.764   1.063
  301    HB3  PRO  20           HB1      PRO  20 -12.967   5.043   0.364
  302    HG2  PRO  20           HG2      PRO  20 -10.809   3.764   1.973
  303    HG3  PRO  20           HG1      PRO  20 -12.549   3.446   1.973
  304    HD2  PRO  20           HD2      PRO  20 -10.599   1.963   0.607
  305    HD3  PRO  20           HD1      PRO  20 -12.347   1.885   0.335
  306    H    LEU  21           HN       LEU  21  -8.945   3.509  -1.394
  307    HA   LEU  21           HA       LEU  21  -7.302   5.579  -0.210
  308    HB2  LEU  21           HB2      LEU  21  -6.584   2.997  -1.576
  309    HB3  LEU  21           HB1      LEU  21  -5.369   4.196  -1.217
  310    HG   LEU  21           HG       LEU  21  -6.034   3.967   1.205
  311   HD11  LEU  21          HD11      LEU  21  -7.143   1.925   1.878
  312   HD12  LEU  21          HD12      LEU  21  -7.353   1.492   0.182
  313   HD13  LEU  21          HD13      LEU  21  -8.207   2.894   0.845
  314   HD21  LEU  21          HD21      LEU  21  -4.887   1.578  -0.202
  315   HD22  LEU  21          HD22      LEU  21  -4.737   1.927   1.519
  316   HD23  LEU  21          HD23      LEU  21  -4.007   3.009   0.334
  317    H    GLY  22           HN       GLY  22  -7.684   4.148  -3.410
  318    HA2  GLY  22           HA2      GLY  22  -7.535   5.073  -5.491
  319    HA3  GLY  22           HA1      GLY  22  -7.650   6.657  -4.737
  320    H    HIS  23           HN       HIS  23  -5.960   7.871  -5.175
  321    HA   HIS  23           HA       HIS  23  -3.464   6.537  -5.783
  322    HB2  HIS  23           HB2      HIS  23  -2.624   8.773  -6.560
  323    HB3  HIS  23           HB1      HIS  23  -4.065   8.258  -7.408
  324    HD1  HIS  23           HD1      HIS  23  -2.779  10.908  -5.066
  325    HD2  HIS  23           HD2      HIS  23  -6.291   9.891  -7.042
  326    HE1  HIS  23           HE1      HIS  23  -4.266  12.920  -4.913
  327    H    GLN  24           HN       GLN  24  -2.020   6.170  -4.256
  328    HA   GLN  24           HA       GLN  24  -2.008   8.013  -1.990
  329    HB2  GLN  24           HB2      GLN  24  -1.956   5.013  -1.873
  330    HB3  GLN  24           HB1      GLN  24  -1.430   6.031  -0.548
  331    HG2  GLN  24           HG2      GLN  24  -4.166   6.109  -1.782
  332    HG3  GLN  24           HG1      GLN  24  -3.736   5.269  -0.287
  333   HE21  GLN  24          1HE2      GLN  24  -5.544   7.553  -0.839
  334   HE22  GLN  24          2HE2      GLN  24  -5.004   8.785   0.249
  335    H    CYS  25           HN       CYS  25  -0.167   8.590  -1.187
  336    HA   CYS  25           HA       CYS  25   2.207   7.377  -2.329
  337    HB2  CYS  25           HB2      CYS  25   1.787  10.238  -1.441
  338    HB3  CYS  25           HB1      CYS  25   3.317   9.563  -1.992
  339    H    PHE  26           HN       PHE  26   4.028   7.308  -0.927
  340    HA   PHE  26           HA       PHE  26   3.214   7.003   1.866
  341    HB2  PHE  26           HB2      PHE  26   5.657   5.831   0.514
  342    HB3  PHE  26           HB1      PHE  26   4.975   5.374   2.072
  343    HD1  PHE  26           HD1      PHE  26   2.501   4.469   1.976
  344    HD2  PHE  26           HD2      PHE  26   5.163   4.563  -1.335
  345    HE1  PHE  26           HE1      PHE  26   1.164   2.740   0.854
  346    HE2  PHE  26           HE2      PHE  26   3.836   2.840  -2.461
  347    HZ   PHE  26           HZ       PHE  26   1.835   1.930  -1.377
  348    HA   PRO  27           HA       PRO  27   5.736  10.800   1.808
  349    HB2  PRO  27           HB2      PRO  27   4.780  11.847   4.119
  350    HB3  PRO  27           HB1      PRO  27   3.897  11.940   2.592
  351    HG2  PRO  27           HG2      PRO  27   3.524  10.058   4.882
  352    HG3  PRO  27           HG1      PRO  27   2.297  10.881   3.904
  353    HD2  PRO  27           HD2      PRO  27   3.012   8.287   3.552
  354    HD3  PRO  27           HD1      PRO  27   2.417   9.305   2.228
  355    H    ASP  28           HN       ASP  28   5.482   8.425   4.286
  356    HA   ASP  28           HA       ASP  28   8.054   9.285   5.447
  357    HB2  ASP  28           HB2      ASP  28   5.851   7.575   6.627
  358    HB3  ASP  28           HB1      ASP  28   7.385   7.900   7.416
  Start of MODEL    2
    1    H1   GLY   1           HN       GLY   1  -5.765  -7.632   4.411
    2    HA2  GLY   1           HA2      GLY   1  -7.075  -5.852   3.620
    3    HA3  GLY   1           HA1      GLY   1  -7.606  -5.547   5.276
    4    H    PHE   2           HN       PHE   2  -6.979  -3.304   4.220
    5    HA   PHE   2           HA       PHE   2  -4.454  -2.648   5.418
    6    HB2  PHE   2           HB2      PHE   2  -3.762  -3.330   3.156
    7    HB3  PHE   2           HB1      PHE   2  -4.892  -2.182   2.460
    8    HD1  PHE   2           HD1      PHE   2  -3.912  -0.312   1.593
    9    HD2  PHE   2           HD2      PHE   2  -2.181  -2.106   5.039
   10    HE1  PHE   2           HE1      PHE   2  -2.155   1.408   1.600
   11    HE2  PHE   2           HE2      PHE   2  -0.423  -0.390   5.056
   12    HZ   PHE   2           HZ       PHE   2  -0.407   1.371   3.334
   13    H    CYS   3           HN       CYS   3  -4.508  -0.614   6.208
   14    HA   CYS   3           HA       CYS   3  -6.480   1.202   5.119
   15    HB2  CYS   3           HB2      CYS   3  -7.450  -0.019   7.112
   16    HB3  CYS   3           HB1      CYS   3  -6.171   0.701   8.087
   17    H    TRP   4           HN       TRP   4  -5.567   3.026   4.710
   18    HA   TRP   4           HA       TRP   4  -3.351   4.031   6.322
   19    HB2  TRP   4           HB2      TRP   4  -2.361   2.778   4.371
   20    HB3  TRP   4           HB1      TRP   4  -3.274   3.812   3.285
   21    HD1  TRP   4           HD1      TRP   4  -2.410   6.369   3.013
   22    HE1  TRP   4           HE1      TRP   4  -0.136   7.447   3.459
   23    HE3  TRP   4          3HE       TRP   4  -0.316   2.676   5.869
   24    HZ2  TRP   4           HZ2      TRP   4   2.242   6.828   4.838
   25    HZ3  TRP   4           HZ3      TRP   4   1.977   2.999   6.702
   26    HH2  TRP   4          2HH       TRP   4   3.231   5.030   6.196
   27    H    HIS   5           HN       HIS   5  -3.421   6.296   6.425
   28    HA   HIS   5           HA       HIS   5  -4.296   8.366   6.335
   29    HB2  HIS   5           HB2      HIS   5  -3.558   8.143   3.928
   30    HB3  HIS   5           HB1      HIS   5  -5.161   7.556   3.523
   31    HD1  HIS   5           HD1      HIS   5  -6.555   9.358   2.480
   32    HD2  HIS   5           HD2      HIS   5  -3.792  10.833   5.183
   33    HE1  HIS   5           HE1      HIS   5  -6.863  11.842   2.463
   34    H    HIS   6           HN       HIS   6  -5.799   6.130   7.339
   35    HA   HIS   6           HA       HIS   6  -7.738   5.671   8.330
   36    HB2  HIS   6           HB2      HIS   6  -8.441   8.494   7.526
   37    HB3  HIS   6           HB1      HIS   6  -9.514   7.471   8.469
   38    HD1  HIS   6           HD1      HIS   6  -9.233   7.703  10.962
   39    HD2  HIS   6           HD2      HIS   6  -5.850   8.885   8.870
   40    HE1  HIS   6           HE1      HIS   6  -7.650   8.649  12.678
   41    H    SER   7           HN       SER   7  -7.341   5.412   5.275
   42    HA   SER   7           HA       SER   7 -10.151   4.917   4.662
   43    HB2  SER   7           HB2      SER   7  -7.767   5.139   2.825
   44    HB3  SER   7           HB1      SER   7  -9.465   5.036   2.335
   45    HG   SER   7           HG       SER   7  -8.954   7.003   4.125
   46    H    CYS   8           HN       CYS   8 -10.665   2.820   4.856
   47    HA   CYS   8           HA       CYS   8  -8.447   0.906   4.945
   48    HB2  CYS   8           HB2      CYS   8 -11.217   0.598   6.100
   49    HB3  CYS   8           HB1      CYS   8  -9.824  -0.432   6.380
   50    H    VAL   9           HN       VAL   9  -8.398  -0.759   3.530
   51    HA   VAL   9           HA       VAL   9 -10.734  -1.115   1.834
   52    HB   VAL   9           HB       VAL   9  -9.216  -2.193   0.146
   53   HG11  VAL   9          HG11      VAL   9  -9.865   0.089  -0.161
   54   HG12  VAL   9          HG12      VAL   9  -8.169  -0.088  -0.631
   55   HG13  VAL   9          3HG1      VAL   9  -8.593   0.623   0.931
   56   HG21  VAL   9          HG21      VAL   9  -7.010  -1.162   1.935
   57   HG22  VAL   9          HG22      VAL   9  -6.784  -1.821   0.316
   58   HG23  VAL   9          HG23      VAL   9  -7.381  -2.856   1.615
   59    HA   PRO  10           HA       PRO  10 -11.549  -5.025   3.579
   60    HB2  PRO  10           HB2      PRO  10 -12.061  -6.067   0.863
   61    HB3  PRO  10           HB1      PRO  10 -13.155  -5.967   2.249
   62    HG2  PRO  10           HG2      PRO  10 -13.458  -4.315   0.195
   63    HG3  PRO  10           HG1      PRO  10 -13.636  -3.717   1.853
   64    HD2  PRO  10           HD2      PRO  10 -11.301  -3.471   0.003
   65    HD3  PRO  10           HD1      PRO  10 -12.069  -2.242   1.035
   66    H    SER  11           HN       SER  11 -10.943  -7.174   3.772
   67    HA   SER  11           HA       SER  11  -8.243  -7.758   3.277
   68    HB2  SER  11           HB2      SER  11 -10.513  -9.587   4.097
   69    HB3  SER  11           HB1      SER  11  -8.789  -9.904   4.313
   70    HG   SER  11           HG       SER  11  -9.665  -7.491   5.347
   71    H    GLY  12           HN       GLY  12  -7.323  -8.626   1.502
   72    HA2  GLY  12           HA2      GLY  12  -7.418 -10.387  -0.194
   73    HA3  GLY  12           HA1      GLY  12  -9.102  -9.941  -0.444
   74    H    THR  13           HN       THR  13  -7.834  -7.067   0.041
   75    HA   THR  13           HA       THR  13  -7.669  -6.374  -2.703
   76    HB   THR  13           HB       THR  13  -6.776  -4.790  -0.268
   77    HG1  THR  13           HG1      THR  13  -8.903  -5.100   0.040
   78   HG21  THR  13          HG21      THR  13  -7.143  -2.816  -1.711
   79   HG22  THR  13          HG22      THR  13  -7.528  -3.883  -3.062
   80   HG23  THR  13          HG23      THR  13  -5.904  -3.879  -2.379
   81    H    CYS  14           HN       CYS  14  -5.930  -6.565  -4.009
   82    HA   CYS  14           HA       CYS  14  -3.313  -6.851  -2.734
   83    HB2  CYS  14           HB2      CYS  14  -4.070  -7.788  -5.516
   84    HB3  CYS  14           HB1      CYS  14  -2.596  -8.163  -4.643
   85    H    ALA  15           HN       ALA  15  -1.497  -5.672  -3.749
   86    HA   ALA  15           HA       ALA  15  -2.320  -3.579  -5.594
   87    HB1  ALA  15           HB1      ALA  15  -0.952  -3.029  -2.966
   88    HB2  ALA  15           HB2      ALA  15  -2.628  -2.644  -3.356
   89    HB3  ALA  15           HB3      ALA  15  -1.315  -1.841  -4.216
   90    H    ASP  16           HN       ASP  16  -0.550  -2.530  -6.627
   91    HA   ASP  16           HA       ASP  16   1.786  -4.281  -6.794
   92    HB2  ASP  16           HB2      ASP  16   2.155  -3.532  -9.023
   93    HB3  ASP  16           HB1      ASP  16   0.420  -3.752  -8.908
   94    H    PHE  17           HN       PHE  17   3.784  -3.562  -6.309
   95    HA   PHE  17           HA       PHE  17   4.149  -0.727  -5.742
   96    HB2  PHE  17           HB2      PHE  17   4.957  -3.065  -3.999
   97    HB3  PHE  17           HB1      PHE  17   5.530  -1.424  -3.768
   98    HD1  PHE  17           HD1      PHE  17   3.971   0.324  -3.030
   99    HD2  PHE  17           HD2      PHE  17   2.808  -3.765  -3.257
  100    HE1  PHE  17           HE1      PHE  17   2.086   0.782  -1.540
  101    HE2  PHE  17           HE2      PHE  17   0.913  -3.311  -1.768
  102    HZ   PHE  17           HZ       PHE  17   0.548  -1.032  -0.906
  103    HA   PRO  18           HA       PRO  18   8.062  -1.411  -7.841
  104    HB2  PRO  18           HB2      PRO  18   9.473   0.344  -5.974
  105    HB3  PRO  18           HB1      PRO  18   9.084   0.626  -7.670
  106    HG2  PRO  18           HG2      PRO  18   7.904   1.996  -5.676
  107    HG3  PRO  18           HG1      PRO  18   7.064   1.592  -7.184
  108    HD2  PRO  18           HD2      PRO  18   6.891   0.254  -4.510
  109    HD3  PRO  18           HD1      PRO  18   5.596   0.674  -5.644
  110    H    TRP  19           HN       TRP  19  10.372  -1.965  -7.419
  111    HA   TRP  19           HA       TRP  19  10.700  -4.135  -5.681
  112    HB2  TRP  19           HB2      TRP  19  12.010  -3.726  -7.779
  113    HB3  TRP  19           HB1      TRP  19  12.806  -2.369  -6.997
  114    HD1  TRP  19           HD1      TRP  19  12.829  -6.169  -7.177
  115    HE1  TRP  19           HE1      TRP  19  14.919  -7.050  -5.960
  116    HE3  TRP  19          3HE       TRP  19  14.440  -1.815  -5.095
  117    HZ2  TRP  19           HZ2      TRP  19  16.969  -6.027  -4.319
  118    HZ3  TRP  19           HZ3      TRP  19  16.447  -1.842  -3.713
  119    HH2  TRP  19          2HH       TRP  19  17.694  -3.896  -3.331
  120    HA   PRO  20           HA       PRO  20  12.024  -5.114  -4.410
  121    HB2  PRO  20           HB2      PRO  20  12.661  -5.978  -1.973
  122    HB3  PRO  20           HB1      PRO  20  13.825  -5.107  -2.976
  123    HG2  PRO  20           HG2      PRO  20  12.334  -4.182  -0.586
  124    HG3  PRO  20           HG1      PRO  20  13.904  -3.652  -1.207
  125    HD2  PRO  20           HD2      PRO  20  11.352  -2.400  -1.588
  126    HD3  PRO  20           HD1      PRO  20  12.916  -1.906  -2.257
  127    H    LEU  21           HN       LEU  21   9.536  -3.504  -3.277
  128    HA   LEU  21           HA       LEU  21   8.377  -5.416  -1.478
  129    HB2  LEU  21           HB2      LEU  21   8.057  -2.988  -1.224
  130    HB3  LEU  21           HB1      LEU  21   7.176  -2.946  -2.734
  131    HG   LEU  21           HG       LEU  21   5.329  -4.176  -1.735
  132   HD11  LEU  21          HD11      LEU  21   5.390  -4.804   0.619
  133   HD12  LEU  21          HD12      LEU  21   7.055  -4.254   0.732
  134   HD13  LEU  21          HD13      LEU  21   6.648  -5.646  -0.281
  135   HD21  LEU  21          HD21      LEU  21   6.323  -1.996   0.091
  136   HD22  LEU  21          HD22      LEU  21   4.665  -2.586  -0.019
  137   HD23  LEU  21          HD23      LEU  21   5.399  -1.762  -1.393
  138    H    GLY  22           HN       GLY  22   7.746  -4.319  -4.779
  139    HA2  GLY  22           HA2      GLY  22   7.006  -5.542  -6.584
  140    HA3  GLY  22           HA1      GLY  22   7.089  -6.980  -5.583
  141    H    HIS  23           HN       HIS  23   5.169  -7.873  -6.106
  142    HA   HIS  23           HA       HIS  23   2.774  -6.233  -5.829
  143    HB2  HIS  23           HB2      HIS  23   3.225  -8.926  -7.123
  144    HB3  HIS  23           HB1      HIS  23   1.616  -8.300  -6.796
  145    HD1  HIS  23           HD1      HIS  23   0.609  -7.121  -8.751
  146    HD2  HIS  23           HD2      HIS  23   4.755  -6.937  -8.772
  147    HE1  HIS  23           HE1      HIS  23   1.240  -5.927 -10.868
  148    H    GLN  24           HN       GLN  24   1.943  -6.189  -3.933
  149    HA   GLN  24           HA       GLN  24   2.155  -8.579  -2.256
  150    HB2  GLN  24           HB2      GLN  24   2.104  -5.678  -1.451
  151    HB3  GLN  24           HB1      GLN  24   1.959  -7.016  -0.321
  152    HG2  GLN  24           HG2      GLN  24   4.302  -6.548  -2.139
  153    HG3  GLN  24           HG1      GLN  24   4.217  -6.072  -0.445
  154   HE21  GLN  24          1HE2      GLN  24   6.004  -7.899  -1.837
  155   HE22  GLN  24          2HE2      GLN  24   5.896  -9.403  -1.011
  156    H    CYS  25           HN       CYS  25   0.366  -8.994  -0.885
  157    HA   CYS  25           HA       CYS  25  -2.011  -7.582  -1.687
  158    HB2  CYS  25           HB2      CYS  25  -1.821  -9.798  -2.866
  159    HB3  CYS  25           HB1      CYS  25  -1.889 -10.575  -1.287
  160    H    PHE  26           HN       PHE  26  -3.615  -7.520  -0.054
  161    HA   PHE  26           HA       PHE  26  -2.387  -7.844   2.577
  162    HB2  PHE  26           HB2      PHE  26  -4.636  -6.002   1.753
  163    HB3  PHE  26           HB1      PHE  26  -3.812  -6.023   3.305
  164    HD1  PHE  26           HD1      PHE  26  -1.354  -5.394   3.361
  165    HD2  PHE  26           HD2      PHE  26  -3.830  -4.709  -0.029
  166    HE1  PHE  26           HE1      PHE  26   0.257  -3.738   2.521
  167    HE2  PHE  26           HE2      PHE  26  -2.226  -3.055  -0.876
  168    HZ   PHE  26           HZ       PHE  26  -0.173  -2.568   0.402
  169    HA   PRO  27           HA       PRO  27  -5.778 -10.920   2.679
  170    HB2  PRO  27           HB2      PRO  27  -4.642 -12.556   4.527
  171    HB3  PRO  27           HB1      PRO  27  -4.214 -12.622   2.815
  172    HG2  PRO  27           HG2      PRO  27  -2.753 -11.359   5.087
  173    HG3  PRO  27           HG1      PRO  27  -2.107 -12.238   3.693
  174    HD2  PRO  27           HD2      PRO  27  -2.140  -9.501   3.913
  175    HD3  PRO  27           HD1      PRO  27  -2.118 -10.367   2.366
  176    H    ASP  28           HN       ASP  28  -4.223  -9.091   5.094
  177    HA   ASP  28           HA       ASP  28  -6.343  -9.464   7.074
  178    HB2  ASP  28           HB2      ASP  28  -4.057  -9.519   7.912
  179    HB3  ASP  28           HB1      ASP  28  -3.691  -7.992   7.132
  180    H1   GLY   1           HN       GLY   1   7.101   7.406   2.687
  181    HA2  GLY   1           HA2      GLY   1   7.866   5.552   1.479
  182    HA3  GLY   1           HA1      GLY   1   9.044   5.238   2.753
  183    H    PHE   2           HN       PHE   2   7.945   3.023   2.117
  184    HA   PHE   2           HA       PHE   2   5.992   2.485   4.192
  185    HB2  PHE   2           HB2      PHE   2   4.607   3.087   2.258
  186    HB3  PHE   2           HB1      PHE   2   5.476   1.937   1.258
  187    HD1  PHE   2           HD1      PHE   2   4.487  -0.095   0.872
  188    HD2  PHE   2           HD2      PHE   2   3.504   2.024   4.428
  189    HE1  PHE   2           HE1      PHE   2   2.833  -1.819   1.435
  190    HE2  PHE   2           HE2      PHE   2   1.850   0.299   5.000
  191    HZ   PHE   2           HZ       PHE   2   1.511  -1.625   3.502
  192    H    CYS   3           HN       CYS   3   6.156   0.375   4.912
  193    HA   CYS   3           HA       CYS   3   7.828  -1.406   3.349
  194    HB2  CYS   3           HB2      CYS   3   9.221  -0.206   5.083
  195    HB3  CYS   3           HB1      CYS   3   8.214  -0.966   6.312
  196    H    TRP   4           HN       TRP   4   6.966  -3.333   3.197
  197    HA   TRP   4           HA       TRP   4   5.168  -4.305   5.257
  198    HB2  TRP   4           HB2      TRP   4   3.760  -3.129   3.551
  199    HB3  TRP   4           HB1      TRP   4   4.440  -4.156   2.305
  200    HD1  TRP   4           HD1      TRP   4   3.488  -6.654   2.132
  201    HE1  TRP   4           HE1      TRP   4   1.396  -7.785   3.097
  202    HE3  TRP   4          3HE       TRP   4   2.217  -3.141   5.631
  203    HZ2  TRP   4           HZ2      TRP   4  -0.555  -7.254   5.079
  204    HZ3  TRP   4           HZ3      TRP   4   0.217  -3.530   7.014
  205    HH2  TRP   4          2HH       TRP   4  -1.136  -5.543   6.742
  206    H    HIS   5           HN       HIS   5   5.300  -6.525   5.396
  207    HA   HIS   5           HA       HIS   5   6.110  -8.631   5.193
  208    HB2  HIS   5           HB2      HIS   5   4.949  -8.370   2.920
  209    HB3  HIS   5           HB1      HIS   5   6.533  -8.024   2.245
  210    HD1  HIS   5           HD1      HIS   5   7.589 -10.070   1.220
  211    HD2  HIS   5           HD2      HIS   5   5.035 -10.997   4.350
  212    HE1  HIS   5           HE1      HIS   5   7.564 -12.583   1.379
  213    H    HIS   6           HN       HIS   6   7.858  -6.295   5.634
  214    HA   HIS   6           HA       HIS   6   9.962  -5.815   6.164
  215    HB2  HIS   6           HB2      HIS   6  10.635  -8.634   5.285
  216    HB3  HIS   6           HB1      HIS   6  11.806  -7.533   5.998
  217    HD1  HIS   6           HD1      HIS   6  11.751  -7.301   8.581
  218    HD2  HIS   6           HD2      HIS   6   8.640  -9.572   7.030
  219    HE1  HIS   6           HE1      HIS   6  10.632  -8.386  10.544
  220    H    SER   7           HN       SER   7   8.848  -5.932   3.229
  221    HA   SER   7           HA       SER   7  11.353  -5.175   1.948
  222    HB2  SER   7           HB2      SER   7   8.598  -5.597   0.778
  223    HB3  SER   7           HB1      SER   7  10.092  -5.335  -0.130
  224    HG   SER   7           HG       SER   7  10.420  -7.359   1.587
  225    H    CYS   8           HN       CYS   8  11.800  -3.047   2.121
  226    HA   CYS   8           HA       CYS   8   9.594  -1.199   2.624
  227    HB2  CYS   8           HB2      CYS   8  12.541  -0.756   3.061
  228    HB3  CYS   8           HB1      CYS   8  11.216   0.219   3.670
  229    H    VAL   9           HN       VAL   9   9.133   0.382   1.218
  230    HA   VAL   9           HA       VAL   9  10.945   0.792  -1.036
  231    HB   VAL   9           HB       VAL   9   8.984   1.810  -2.242
  232   HG11  VAL   9          HG11      VAL   9   8.650  -1.024  -1.322
  233   HG12  VAL   9          HG12      VAL   9   9.600  -0.469  -2.704
  234   HG13  VAL   9          3HG1      VAL   9   7.840  -0.319  -2.717
  235   HG21  VAL   9          HG21      VAL   9   6.705   1.366  -1.409
  236   HG22  VAL   9          HG22      VAL   9   7.604   2.424  -0.319
  237   HG23  VAL   9          HG23      VAL   9   7.388   0.722   0.085
  238    HA   PRO  10           HA       PRO  10  12.147   4.620   0.529
  239    HB2  PRO  10           HB2      PRO  10  12.556   6.063  -1.752
  240    HB3  PRO  10           HB1      PRO  10  13.650   4.804  -1.174
  241    HG2  PRO  10           HG2      PRO  10  11.515   4.644  -3.261
  242    HG3  PRO  10           HG1      PRO  10  13.155   3.970  -3.283
  243    HD2  PRO  10           HD2      PRO  10  11.007   2.457  -2.739
  244    HD3  PRO  10           HD1      PRO  10  12.571   2.180  -1.944
  245    H    SER  11           HN       SER  11  11.707   6.830   0.768
  246    HA   SER  11           HA       SER  11   9.045   7.598   0.941
  247    HB2  SER  11           HB2      SER  11  11.497   9.360   0.793
  248    HB3  SER  11           HB1      SER  11   9.972   9.709   1.614
  249    HG   SER  11           HG       SER  11  11.464   8.997   3.129
  250    H    GLY  12           HN       GLY  12   7.739   8.632  -0.515
  251    HA2  GLY  12           HA2      GLY  12   7.403  10.121  -2.336
  252    HA3  GLY  12           HA1      GLY  12   8.993   9.681  -2.946
  253    H    THR  13           HN       THR  13   7.755   6.821  -2.002
  254    HA   THR  13           HA       THR  13   7.054   6.016  -4.620
  255    HB   THR  13           HB       THR  13   6.587   4.642  -1.955
  256    HG1  THR  13           HG1      THR  13   8.725   4.678  -2.186
  257   HG21  THR  13          HG21      THR  13   6.395   2.571  -3.282
  258   HG22  THR  13          HG22      THR  13   6.512   3.519  -4.764
  259   HG23  THR  13          HG23      THR  13   5.122   3.720  -3.697
  260    H    CYS  14           HN       CYS  14   5.192   6.390  -5.625
  261    HA   CYS  14           HA       CYS  14   2.789   6.876  -4.018
  262    HB2  CYS  14           HB2      CYS  14   3.328   7.837  -6.835
  263    HB3  CYS  14           HB1      CYS  14   2.001   8.300  -5.784
  264    H    ALA  15           HN       ALA  15   1.019   5.593  -4.461
  265    HA   ALA  15           HA       ALA  15   1.196   3.788  -6.751
  266    HB1  ALA  15           HB1      ALA  15   2.135   2.573  -4.833
  267    HB2  ALA  15           HB2      ALA  15   0.609   1.866  -5.364
  268    HB3  ALA  15           HB3      ALA  15   0.656   2.880  -3.923
  269    H    ASP  16           HN       ASP  16  -0.815   2.896  -7.364
  270    HA   ASP  16           HA       ASP  16  -3.071   4.595  -6.595
  271    HB2  ASP  16           HB2      ASP  16  -2.553   4.526  -8.992
  272    HB3  ASP  16           HB1      ASP  16  -2.699   2.773  -8.985
  273    H    PHE  17           HN       PHE  17  -4.495   3.777  -5.228
  274    HA   PHE  17           HA       PHE  17  -4.791   0.867  -5.072
  275    HB2  PHE  17           HB2      PHE  17  -5.258   3.005  -2.983
  276    HB3  PHE  17           HB1      PHE  17  -5.605   1.300  -2.768
  277    HD1  PHE  17           HD1      PHE  17  -3.837  -0.282  -2.423
  278    HD2  PHE  17           HD2      PHE  17  -2.985   3.852  -2.955
  279    HE1  PHE  17           HE1      PHE  17  -1.601  -0.635  -1.526
  280    HE2  PHE  17           HE2      PHE  17  -0.729   3.507  -2.058
  281    HZ   PHE  17           HZ       PHE  17  -0.028   1.260  -1.340
  282    HA   PRO  18           HA       PRO  18  -9.074   1.580  -6.130
  283    HB2  PRO  18           HB2      PRO  18 -10.160  -0.311  -4.251
  284    HB3  PRO  18           HB1      PRO  18  -9.920  -0.518  -5.984
  285    HG2  PRO  18           HG2      PRO  18  -8.517  -1.851  -3.994
  286    HG3  PRO  18           HG1      PRO  18  -8.015  -1.694  -5.680
  287    HD2  PRO  18           HD2      PRO  18  -7.020  -0.271  -3.278
  288    HD3  PRO  18           HD1      PRO  18  -6.205  -0.653  -4.796
  289    H    TRP  19           HN       TRP  19 -11.191   2.169  -5.220
  290    HA   TRP  19           HA       TRP  19 -11.100   4.127  -3.185
  291    HB2  TRP  19           HB2      TRP  19 -12.720   4.003  -5.115
  292    HB3  TRP  19           HB1      TRP  19 -13.477   2.622  -4.347
  293    HD1  TRP  19           HD1      TRP  19 -13.198   6.420  -4.120
  294    HE1  TRP  19           HE1      TRP  19 -15.095   7.300  -2.627
  295    HE3  TRP  19          3HE       TRP  19 -15.002   1.967  -2.380
  296    HZ2  TRP  19           HZ2      TRP  19 -17.089   6.256  -0.943
  297    HZ3  TRP  19           HZ3      TRP  19 -16.898   1.995  -0.831
  298    HH2  TRP  19          2HH       TRP  19 -17.927   4.097  -0.124
  299    HA   PRO  20           HA       PRO  20 -12.282   4.962  -1.533
  300    HB2  PRO  20           HB2      PRO  20 -12.490   5.429   1.050
  301    HB3  PRO  20           HB1      PRO  20 -13.797   4.589   0.201
  302    HG2  PRO  20           HG2      PRO  20 -11.658   3.468   1.967
  303    HG3  PRO  20           HG1      PRO  20 -13.369   3.029   1.875
  304    HD2  PRO  20           HD2      PRO  20 -11.260   1.694   0.604
  305    HD3  PRO  20           HD1      PRO  20 -12.982   1.516   0.218
  306    H    LEU  21           HN       LEU  21  -9.691   3.225  -1.233
  307    HA   LEU  21           HA       LEU  21  -8.077   4.805   0.550
  308    HB2  LEU  21           HB2      LEU  21  -7.902   2.298   0.122
  309    HB3  LEU  21           HB1      LEU  21  -7.194   2.696  -1.421
  310    HG   LEU  21           HG       LEU  21  -5.243   3.663  -0.322
  311   HD11  LEU  21          HD11      LEU  21  -6.759   3.019   2.202
  312   HD12  LEU  21          HD12      LEU  21  -6.280   4.627   1.615
  313   HD13  LEU  21          HD13      LEU  21  -5.060   3.472   2.125
  314   HD21  LEU  21          HD21      LEU  21  -6.025   1.042   0.910
  315   HD22  LEU  21          HD22      LEU  21  -4.394   1.698   0.791
  316   HD23  LEU  21          HD23      LEU  21  -5.270   1.242  -0.677
  317    H    GLY  22           HN       GLY  22  -8.143   4.081  -2.919
  318    HA2  GLY  22           HA2      GLY  22  -7.961   5.551  -4.701
  319    HA3  GLY  22           HA1      GLY  22  -7.757   6.859  -3.543
  320    H    HIS  23           HN       HIS  23  -6.127   7.520  -5.180
  321    HA   HIS  23           HA       HIS  23  -3.730   5.933  -5.182
  322    HB2  HIS  23           HB2      HIS  23  -2.730   7.646  -6.629
  323    HB3  HIS  23           HB1      HIS  23  -4.331   7.252  -7.227
  324    HD1  HIS  23           HD1      HIS  23  -2.241  10.066  -6.101
  325    HD2  HIS  23           HD2      HIS  23  -6.281   9.332  -6.733
  326    HE1  HIS  23           HE1      HIS  23  -3.354  12.322  -6.173
  327    H    GLN  24           HN       GLN  24  -2.009   6.169  -3.915
  328    HA   GLN  24           HA       GLN  24  -2.007   8.427  -2.077
  329    HB2  GLN  24           HB2      GLN  24  -1.769   5.531  -1.316
  330    HB3  GLN  24           HB1      GLN  24  -1.274   6.849  -0.267
  331    HG2  GLN  24           HG2      GLN  24  -3.536   7.716  -0.301
  332    HG3  GLN  24           HG1      GLN  24  -4.043   6.365  -1.323
  333   HE21  GLN  24          1HE2      GLN  24  -4.882   7.211   1.276
  334   HE22  GLN  24          2HE2      GLN  24  -4.650   5.851   2.334
  335    H    CYS  25           HN       CYS  25   0.008   8.825  -1.133
  336    HA   CYS  25           HA       CYS  25   2.214   7.443  -2.370
  337    HB2  CYS  25           HB2      CYS  25   1.689   9.550  -3.661
  338    HB3  CYS  25           HB1      CYS  25   2.067  10.459  -2.205
  339    H    PHE  26           HN       PHE  26   3.976   7.294  -1.117
  340    HA   PHE  26           HA       PHE  26   3.379   7.732   1.712
  341    HB2  PHE  26           HB2      PHE  26   5.396   5.902   0.403
  342    HB3  PHE  26           HB1      PHE  26   4.997   5.933   2.114
  343    HD1  PHE  26           HD1      PHE  26   2.630   5.321   2.797
  344    HD2  PHE  26           HD2      PHE  26   4.166   4.595  -1.101
  345    HE1  PHE  26           HE1      PHE  26   0.853   3.669   2.407
  346    HE2  PHE  26           HE2      PHE  26   2.393   2.945  -1.501
  347    HZ   PHE  26           HZ       PHE  26   0.728   2.479   0.261
  348    HA   PRO  27           HA       PRO  27   6.568  10.975   1.200
  349    HB2  PRO  27           HB2      PRO  27   5.657  11.825   3.858
  350    HB3  PRO  27           HB1      PRO  27   5.670  12.731   2.345
  351    HG2  PRO  27           HG2      PRO  27   3.374  11.882   3.459
  352    HG3  PRO  27           HG1      PRO  27   3.594  11.950   1.703
  353    HD2  PRO  27           HD2      PRO  27   3.749   9.592   3.539
  354    HD3  PRO  27           HD1      PRO  27   2.984   9.733   1.940
  355    H    ASP  28           HN       ASP  28   6.021   8.812   3.867
  356    HA   ASP  28           HA       ASP  28   8.791   9.199   4.793
  357    HB2  ASP  28           HB2      ASP  28   6.486   7.734   6.120
  358    HB3  ASP  28           HB1      ASP  28   8.121   7.787   6.746
  Start of MODEL    3
    1    H1   GLY   1           HN       GLY   1  -5.823  -7.487   4.596
    2    HA2  GLY   1           HA2      GLY   1  -7.124  -5.647   3.838
    3    HA3  GLY   1           HA1      GLY   1  -7.658  -5.401   5.496
    4    H    PHE   2           HN       PHE   2  -6.898  -3.212   4.352
    5    HA   PHE   2           HA       PHE   2  -4.414  -2.511   5.637
    6    HB2  PHE   2           HB2      PHE   2  -3.668  -3.235   3.395
    7    HB3  PHE   2           HB1      PHE   2  -4.833  -2.151   2.655
    8    HD1  PHE   2           HD1      PHE   2  -4.146  -0.043   1.997
    9    HD2  PHE   2           HD2      PHE   2  -1.905  -2.124   4.954
   10    HE1  PHE   2           HE1      PHE   2  -2.450   1.735   1.954
   11    HE2  PHE   2           HE2      PHE   2  -0.206  -0.350   4.918
   12    HZ   PHE   2           HZ       PHE   2  -0.477   1.583   3.416
   13    H    CYS   3           HN       CYS   3  -4.366  -0.236   6.048
   14    HA   CYS   3           HA       CYS   3  -6.586   1.307   5.040
   15    HB2  CYS   3           HB2      CYS   3  -7.269   0.154   7.187
   16    HB3  CYS   3           HB1      CYS   3  -6.003   1.072   7.993
   17    H    TRP   4           HN       TRP   4  -6.044   3.386   4.786
   18    HA   TRP   4           HA       TRP   4  -3.735   4.478   6.111
   19    HB2  TRP   4           HB2      TRP   4  -2.900   3.244   4.030
   20    HB3  TRP   4           HB1      TRP   4  -3.845   4.383   3.084
   21    HD1  TRP   4           HD1      TRP   4  -2.923   6.957   3.015
   22    HE1  TRP   4           HE1      TRP   4  -0.566   7.916   3.429
   23    HE3  TRP   4          3HE       TRP   4  -0.809   2.947   5.382
   24    HZ2  TRP   4           HZ2      TRP   4   1.861   7.082   4.586
   25    HZ3  TRP   4           HZ3      TRP   4   1.536   3.107   6.102
   26    HH2  TRP   4          2HH       TRP   4   2.842   5.130   5.711
   27    H    HIS   5           HN       HIS   5  -4.086   6.581   6.396
   28    HA   HIS   5           HA       HIS   5  -5.138   8.553   6.529
   29    HB2  HIS   5           HB2      HIS   5  -4.066   8.701   4.261
   30    HB3  HIS   5           HB1      HIS   5  -5.583   8.169   3.551
   31    HD1  HIS   5           HD1      HIS   5  -6.934  10.077   2.685
   32    HD2  HIS   5           HD2      HIS   5  -4.546  11.178   5.894
   33    HE1  HIS   5           HE1      HIS   5  -7.307  12.531   3.016
   34    H    HIS   6           HN       HIS   6  -6.660   6.761   7.539
   35    HA   HIS   6           HA       HIS   6  -8.732   6.320   8.337
   36    HB2  HIS   6           HB2      HIS   6  -9.543   8.739   6.723
   37    HB3  HIS   6           HB1      HIS   6 -10.622   7.884   7.813
   38    HD1  HIS   6           HD1      HIS   6 -10.397   8.433  10.322
   39    HD2  HIS   6           HD2      HIS   6  -7.495  10.217   7.942
   40    HE1  HIS   6           HE1      HIS   6  -9.270  10.156  11.767
   41    H    SER   7           HN       SER   7  -7.977   5.775   5.232
   42    HA   SER   7           HA       SER   7 -10.632   4.781   4.527
   43    HB2  SER   7           HB2      SER   7  -8.220   5.294   2.792
   44    HB3  SER   7           HB1      SER   7  -9.856   4.910   2.242
   45    HG   SER   7           HG       SER   7  -9.068   7.192   3.724
   46    H    CYS   8           HN       CYS   8 -10.855   2.638   4.791
   47    HA   CYS   8           HA       CYS   8  -8.426   1.000   4.796
   48    HB2  CYS   8           HB2      CYS   8 -11.053   0.312   6.115
   49    HB3  CYS   8           HB1      CYS   8  -9.507  -0.479   6.326
   50    H    VAL   9           HN       VAL   9  -8.394  -0.829   3.586
   51    HA   VAL   9           HA       VAL   9 -10.689  -1.297   1.830
   52    HB   VAL   9           HB       VAL   9  -9.060  -2.395   0.238
   53   HG11  VAL   9          HG11      VAL   9  -9.851  -0.183  -0.224
   54   HG12  VAL   9          HG12      VAL   9  -8.137  -0.278  -0.643
   55   HG13  VAL   9          3HG1      VAL   9  -8.647   0.507   0.858
   56   HG21  VAL   9          HG21      VAL   9  -6.983  -1.112   2.020
   57   HG22  VAL   9          HG22      VAL   9  -6.665  -1.843   0.448
   58   HG23  VAL   9          HG23      VAL   9  -7.230  -2.843   1.787
   59    HA   PRO  10           HA       PRO  10 -11.264  -5.154   3.743
   60    HB2  PRO  10           HB2      PRO  10 -12.267  -6.634   1.699
   61    HB3  PRO  10           HB1      PRO  10 -13.175  -5.353   2.515
   62    HG2  PRO  10           HG2      PRO  10 -11.650  -5.230  -0.063
   63    HG3  PRO  10           HG1      PRO  10 -13.277  -4.619   0.300
   64    HD2  PRO  10           HD2      PRO  10 -11.156  -2.995   0.267
   65    HD3  PRO  10           HD1      PRO  10 -12.469  -2.779   1.441
   66    H    SER  11           HN       SER  11 -10.500  -7.245   3.941
   67    HA   SER  11           HA       SER  11  -7.940  -7.901   3.137
   68    HB2  SER  11           HB2      SER  11  -8.669 -10.217   3.875
   69    HB3  SER  11           HB1      SER  11  -8.901  -8.921   5.046
   70    HG   SER  11           HG       SER  11 -11.019  -9.302   3.345
   71    H    GLY  12           HN       GLY  12  -7.110  -8.802   1.304
   72    HA2  GLY  12           HA2      GLY  12  -7.428 -10.421  -0.502
   73    HA3  GLY  12           HA1      GLY  12  -9.069  -9.810  -0.636
   74    H    THR  13           HN       THR  13  -7.802  -7.089  -0.066
   75    HA   THR  13           HA       THR  13  -7.668  -6.260  -2.753
   76    HB   THR  13           HB       THR  13  -6.863  -4.786  -0.228
   77    HG1  THR  13           HG1      THR  13  -8.972  -5.110  -0.002
   78   HG21  THR  13          HG21      THR  13  -7.225  -2.738  -1.559
   79   HG22  THR  13          HG22      THR  13  -7.549  -3.726  -2.983
   80   HG23  THR  13          HG23      THR  13  -5.941  -3.726  -2.260
   81    H    CYS  14           HN       CYS  14  -5.967  -6.008  -4.073
   82    HA   CYS  14           HA       CYS  14  -3.306  -6.487  -2.958
   83    HB2  CYS  14           HB2      CYS  14  -4.386  -7.312  -5.651
   84    HB3  CYS  14           HB1      CYS  14  -2.724  -7.531  -5.112
   85    H    ALA  15           HN       ALA  15  -1.563  -5.384  -4.020
   86    HA   ALA  15           HA       ALA  15  -2.336  -3.202  -5.761
   87    HB1  ALA  15           HB1      ALA  15  -1.134  -1.575  -4.376
   88    HB2  ALA  15           HB2      ALA  15  -0.838  -2.833  -3.171
   89    HB3  ALA  15           HB3      ALA  15  -2.482  -2.298  -3.494
   90    H    ASP  16           HN       ASP  16  -0.680  -2.525  -7.066
   91    HA   ASP  16           HA       ASP  16   1.621  -4.311  -7.200
   92    HB2  ASP  16           HB2      ASP  16   0.535  -2.293  -9.180
   93    HB3  ASP  16           HB1      ASP  16   2.008  -3.216  -9.434
   94    H    PHE  17           HN       PHE  17   3.265  -3.660  -6.046
   95    HA   PHE  17           HA       PHE  17   3.775  -0.803  -5.788
   96    HB2  PHE  17           HB2      PHE  17   4.691  -3.181  -4.185
   97    HB3  PHE  17           HB1      PHE  17   5.345  -1.569  -3.975
   98    HD1  PHE  17           HD1      PHE  17   3.985   0.191  -3.009
   99    HD2  PHE  17           HD2      PHE  17   2.565  -3.795  -3.335
  100    HE1  PHE  17           HE1      PHE  17   2.254   0.680  -1.332
  101    HE2  PHE  17           HE2      PHE  17   0.822  -3.314  -1.660
  102    HZ   PHE  17           HZ       PHE  17   0.678  -1.060  -0.661
  103    HA   PRO  18           HA       PRO  18   7.644  -1.413  -8.012
  104    HB2  PRO  18           HB2      PRO  18   8.926   0.531  -6.224
  105    HB3  PRO  18           HB1      PRO  18   8.590   0.676  -7.950
  106    HG2  PRO  18           HG2      PRO  18   7.261   2.137  -6.148
  107    HG3  PRO  18           HG1      PRO  18   6.469   1.516  -7.603
  108    HD2  PRO  18           HD2      PRO  18   6.409   0.415  -4.816
  109    HD3  PRO  18           HD1      PRO  18   5.066   0.681  -5.952
  110    H    TRP  19           HN       TRP  19   9.989  -1.812  -7.487
  111    HA   TRP  19           HA       TRP  19  10.377  -3.952  -5.754
  112    HB2  TRP  19           HB2      TRP  19  11.773  -3.272  -7.750
  113    HB3  TRP  19           HB1      TRP  19  12.458  -1.990  -6.766
  114    HD1  TRP  19           HD1      TRP  19  12.520  -5.771  -7.239
  115    HE1  TRP  19           HE1      TRP  19  14.581  -6.727  -6.045
  116    HE3  TRP  19          3HE       TRP  19  14.093  -1.563  -4.813
  117    HZ2  TRP  19           HZ2      TRP  19  16.612  -5.829  -4.326
  118    HZ3  TRP  19           HZ3      TRP  19  16.104  -1.708  -3.411
  119    HH2  TRP  19          2HH       TRP  19  17.335  -3.789  -3.171
  120    HA   PRO  20           HA       PRO  20  11.669  -4.860  -4.409
  121    HB2  PRO  20           HB2      PRO  20  11.946  -5.624  -1.764
  122    HB3  PRO  20           HB1      PRO  20  13.253  -5.105  -2.827
  123    HG2  PRO  20           HG2      PRO  20  12.271  -3.742  -0.519
  124    HG3  PRO  20           HG1      PRO  20  13.483  -3.172  -1.673
  125    HD2  PRO  20           HD2      PRO  20  10.588  -2.548  -1.510
  126    HD3  PRO  20           HD1      PRO  20  11.927  -1.560  -2.131
  127    H    LEU  21           HN       LEU  21   9.000  -3.425  -3.266
  128    HA   LEU  21           HA       LEU  21   7.713  -5.561  -1.868
  129    HB2  LEU  21           HB2      LEU  21   6.703  -2.984  -3.018
  130    HB3  LEU  21           HB1      LEU  21   5.625  -4.153  -2.284
  131    HG   LEU  21           HG       LEU  21   7.929  -2.839  -0.834
  132   HD11  LEU  21          HD11      LEU  21   6.212  -1.197  -1.462
  133   HD12  LEU  21          HD12      LEU  21   6.216  -1.508   0.274
  134   HD13  LEU  21          HD13      LEU  21   4.975  -2.231  -0.748
  135   HD21  LEU  21          HD21      LEU  21   7.228  -5.037   0.015
  136   HD22  LEU  21          HD22      LEU  21   5.579  -4.436   0.135
  137   HD23  LEU  21          HD23      LEU  21   6.850  -3.727   1.130
  138    H    GLY  22           HN       GLY  22   7.128  -4.156  -5.077
  139    HA2  GLY  22           HA2      GLY  22   6.398  -5.136  -7.001
  140    HA3  GLY  22           HA1      GLY  22   6.837  -6.692  -6.310
  141    H    HIS  23           HN       HIS  23   5.162  -7.996  -6.414
  142    HA   HIS  23           HA       HIS  23   2.434  -7.002  -6.448
  143    HB2  HIS  23           HB2      HIS  23   3.463  -9.856  -6.537
  144    HB3  HIS  23           HB1      HIS  23   1.805  -9.356  -6.822
  145    HD1  HIS  23           HD1      HIS  23   4.859 -10.154  -8.587
  146    HD2  HIS  23           HD2      HIS  23   1.610  -7.644  -9.217
  147    HE1  HIS  23           HE1      HIS  23   4.872  -9.592 -11.044
  148    H    GLN  24           HN       GLN  24   1.613  -6.453  -4.463
  149    HA   GLN  24           HA       GLN  24   1.955  -8.437  -2.330
  150    HB2  GLN  24           HB2      GLN  24   1.988  -5.431  -2.022
  151    HB3  GLN  24           HB1      GLN  24   1.888  -6.564  -0.685
  152    HG2  GLN  24           HG2      GLN  24   4.163  -6.367  -2.644
  153    HG3  GLN  24           HG1      GLN  24   4.153  -5.723  -1.004
  154   HE21  GLN  24          1HE2      GLN  24   5.853  -7.737  -2.304
  155   HE22  GLN  24          2HE2      GLN  24   5.763  -9.135  -1.304
  156    H    CYS  25           HN       CYS  25   0.199  -8.961  -1.183
  157    HA   CYS  25           HA       CYS  25  -2.274  -7.528  -1.763
  158    HB2  CYS  25           HB2      CYS  25  -1.866 -10.487  -1.296
  159    HB3  CYS  25           HB1      CYS  25  -3.434  -9.692  -1.395
  160    H    PHE  26           HN       PHE  26  -3.782  -7.466  -0.017
  161    HA   PHE  26           HA       PHE  26  -2.409  -7.577   2.564
  162    HB2  PHE  26           HB2      PHE  26  -4.800  -5.915   1.751
  163    HB3  PHE  26           HB1      PHE  26  -3.970  -5.833   3.300
  164    HD1  PHE  26           HD1      PHE  26  -1.473  -5.220   3.248
  165    HD2  PHE  26           HD2      PHE  26  -4.133  -4.551  -0.004
  166    HE1  PHE  26           HE1      PHE  26   0.075  -3.549   2.331
  167    HE2  PHE  26           HE2      PHE  26  -2.591  -2.880  -0.927
  168    HZ   PHE  26           HZ       PHE  26  -0.481  -2.380   0.243
  169    HA   PRO  27           HA       PRO  27  -5.257 -11.115   2.801
  170    HB2  PRO  27           HB2      PRO  27  -4.066 -12.272   4.955
  171    HB3  PRO  27           HB1      PRO  27  -3.482 -12.461   3.301
  172    HG2  PRO  27           HG2      PRO  27  -2.519 -10.617   5.450
  173    HG3  PRO  27           HG1      PRO  27  -1.578 -11.590   4.304
  174    HD2  PRO  27           HD2      PRO  27  -1.968  -8.969   3.954
  175    HD3  PRO  27           HD1      PRO  27  -1.886 -10.088   2.582
  176    H    ASP  28           HN       ASP  28  -4.505  -8.891   5.371
  177    HA   ASP  28           HA       ASP  28  -7.112  -9.584   6.561
  178    HB2  ASP  28           HB2      ASP  28  -6.324  -8.842   8.754
  179    HB3  ASP  28           HB1      ASP  28  -5.259 -10.088   8.127
  180    H1   GLY   1           HN       GLY   1   7.565   7.562   2.632
  181    HA2  GLY   1           HA2      GLY   1   8.126   5.595   1.577
  182    HA3  GLY   1           HA1      GLY   1   9.207   5.221   2.916
  183    H    PHE   2           HN       PHE   2   8.286   3.057   2.654
  184    HA   PHE   2           HA       PHE   2   6.167   2.577   4.494
  185    HB2  PHE   2           HB2      PHE   2   4.821   3.195   2.513
  186    HB3  PHE   2           HB1      PHE   2   5.713   2.048   1.533
  187    HD1  PHE   2           HD1      PHE   2   4.722   0.024   1.104
  188    HD2  PHE   2           HD2      PHE   2   3.642   2.126   4.641
  189    HE1  PHE   2           HE1      PHE   2   3.044  -1.695   1.602
  190    HE2  PHE   2           HE2      PHE   2   1.962   0.407   5.152
  191    HZ   PHE   2           HZ       PHE   2   1.660  -1.510   3.632
  192    H    CYS   3           HN       CYS   3   6.102   0.259   4.958
  193    HA   CYS   3           HA       CYS   3   7.959  -1.364   3.444
  194    HB2  CYS   3           HB2      CYS   3   9.219  -0.242   5.359
  195    HB3  CYS   3           HB1      CYS   3   8.171  -1.144   6.445
  196    H    TRP   4           HN       TRP   4   7.264  -3.418   3.279
  197    HA   TRP   4           HA       TRP   4   5.270  -4.423   5.124
  198    HB2  TRP   4           HB2      TRP   4   3.997  -3.215   3.344
  199    HB3  TRP   4           HB1      TRP   4   4.788  -4.209   2.132
  200    HD1  TRP   4           HD1      TRP   4   3.896  -6.707   1.828
  201    HE1  TRP   4           HE1      TRP   4   1.762  -7.891   2.623
  202    HE3  TRP   4          3HE       TRP   4   2.321  -3.295   5.294
  203    HZ2  TRP   4           HZ2      TRP   4  -0.326  -7.439   4.465
  204    HZ3  TRP   4           HZ3      TRP   4   0.240  -3.745   6.523
  205    HH2  TRP   4          2HH       TRP   4  -1.053  -5.773   6.116
  206    H    HIS   5           HN       HIS   5   5.482  -6.587   5.328
  207    HA   HIS   5           HA       HIS   5   6.397  -8.651   5.261
  208    HB2  HIS   5           HB2      HIS   5   4.985  -8.616   3.139
  209    HB3  HIS   5           HB1      HIS   5   6.449  -8.239   2.245
  210    HD1  HIS   5           HD1      HIS   5   6.827 -10.380   0.926
  211    HD2  HIS   5           HD2      HIS   5   6.021 -11.099   4.941
  212    HE1  HIS   5           HE1      HIS   5   7.118 -12.853   1.265
  213    H    HIS   6           HN       HIS   6   8.124  -6.545   5.702
  214    HA   HIS   6           HA       HIS   6  10.270  -6.240   6.246
  215    HB2  HIS   6           HB2      HIS   6  10.815  -8.841   4.808
  216    HB3  HIS   6           HB1      HIS   6  12.075  -7.884   5.567
  217    HD1  HIS   6           HD1      HIS   6  12.261  -8.025   8.124
  218    HD2  HIS   6           HD2      HIS   6   9.075 -10.149   6.530
  219    HE1  HIS   6           HE1      HIS   6  11.351  -9.455  10.009
  220    H    SER   7           HN       SER   7   9.105  -5.979   3.223
  221    HA   SER   7           HA       SER   7  11.639  -5.020   2.140
  222    HB2  SER   7           HB2      SER   7   8.984  -5.489   0.799
  223    HB3  SER   7           HB1      SER   7  10.506  -5.101  -0.014
  224    HG   SER   7           HG       SER   7  10.988  -7.151   1.548
  225    H    CYS   8           HN       CYS   8  12.040  -2.897   2.263
  226    HA   CYS   8           HA       CYS   8   9.775  -1.141   2.827
  227    HB2  CYS   8           HB2      CYS   8  12.702  -0.655   3.394
  228    HB3  CYS   8           HB1      CYS   8  11.338   0.294   3.952
  229    H    VAL   9           HN       VAL   9   9.470   0.686   1.630
  230    HA   VAL   9           HA       VAL   9  11.208   1.058  -0.700
  231    HB   VAL   9           HB       VAL   9   9.236   2.142  -1.830
  232   HG11  VAL   9          HG11      VAL   9   8.047   0.071  -2.360
  233   HG12  VAL   9          HG12      VAL   9   8.816  -0.712  -0.979
  234   HG13  VAL   9          3HG1      VAL   9   9.795  -0.158  -2.337
  235   HG21  VAL   9          HG21      VAL   9   6.975   1.730  -0.932
  236   HG22  VAL   9          HG22      VAL   9   7.935   2.750   0.139
  237   HG23  VAL   9          HG23      VAL   9   7.696   1.048   0.526
  238    HA   PRO  10           HA       PRO  10  12.208   5.009   0.905
  239    HB2  PRO  10           HB2      PRO  10  12.926   6.347  -1.310
  240    HB3  PRO  10           HB1      PRO  10  13.885   5.002  -0.681
  241    HG2  PRO  10           HG2      PRO  10  11.900   5.031  -2.923
  242    HG3  PRO  10           HG1      PRO  10  13.492   4.258  -2.854
  243    HD2  PRO  10           HD2      PRO  10  11.167   2.906  -2.458
  244    HD3  PRO  10           HD1      PRO  10  12.698   2.442  -1.690
  245    H    SER  11           HN       SER  11  11.736   7.313   0.812
  246    HA   SER  11           HA       SER  11   9.008   7.925   0.604
  247    HB2  SER  11           HB2      SER  11  11.430   9.735   0.759
  248    HB3  SER  11           HB1      SER  11   9.766  10.189   1.127
  249    HG   SER  11           HG       SER  11  10.161   9.579   3.017
  250    H    GLY  12           HN       GLY  12   7.894   8.736  -1.118
  251    HA2  GLY  12           HA2      GLY  12   7.935  10.058  -3.167
  252    HA3  GLY  12           HA1      GLY  12   9.487   9.311  -3.525
  253    H    THR  13           HN       THR  13   8.104   6.834  -2.242
  254    HA   THR  13           HA       THR  13   7.279   5.693  -4.707
  255    HB   THR  13           HB       THR  13   7.068   4.632  -1.876
  256    HG1  THR  13           HG1      THR  13   9.165   4.710  -2.223
  257   HG21  THR  13          HG21      THR  13   6.906   2.409  -2.977
  258   HG22  THR  13          HG22      THR  13   6.835   3.225  -4.543
  259   HG23  THR  13          HG23      THR  13   5.541   3.455  -3.372
  260    H    CYS  14           HN       CYS  14   5.315   5.788  -5.546
  261    HA   CYS  14           HA       CYS  14   3.058   6.399  -3.788
  262    HB2  CYS  14           HB2      CYS  14   3.413   7.022  -6.736
  263    HB3  CYS  14           HB1      CYS  14   1.944   7.312  -5.812
  264    H    ALA  15           HN       ALA  15   1.057   5.301  -4.327
  265    HA   ALA  15           HA       ALA  15   1.330   3.036  -6.102
  266    HB1  ALA  15           HB1      ALA  15   0.520   1.460  -4.411
  267    HB2  ALA  15           HB2      ALA  15   0.564   2.736  -3.196
  268    HB3  ALA  15           HB3      ALA  15   2.062   2.167  -3.930
  269    H    ASP  16           HN       ASP  16  -0.616   2.344  -6.880
  270    HA   ASP  16           HA       ASP  16  -2.807   4.223  -6.430
  271    HB2  ASP  16           HB2      ASP  16  -2.396   2.233  -8.678
  272    HB3  ASP  16           HB1      ASP  16  -3.719   3.383  -8.552
  273    H    PHE  17           HN       PHE  17  -4.123   3.508  -4.892
  274    HA   PHE  17           HA       PHE  17  -4.595   0.647  -4.718
  275    HB2  PHE  17           HB2      PHE  17  -5.140   2.884  -2.775
  276    HB3  PHE  17           HB1      PHE  17  -5.588   1.206  -2.503
  277    HD1  PHE  17           HD1      PHE  17  -2.926   3.670  -2.479
  278    HD2  PHE  17           HD2      PHE  17  -3.856  -0.458  -2.075
  279    HE1  PHE  17           HE1      PHE  17  -0.758   3.292  -1.388
  280    HE2  PHE  17           HE2      PHE  17  -1.694  -0.845  -0.994
  281    HZ   PHE  17           HZ       PHE  17  -0.140   1.026  -0.643
  282    HA   PRO  18           HA       PRO  18  -8.804   1.200  -6.147
  283    HB2  PRO  18           HB2      PRO  18  -9.597  -0.727  -4.039
  284    HB3  PRO  18           HB1      PRO  18  -9.809  -0.846  -5.786
  285    HG2  PRO  18           HG2      PRO  18  -8.012  -2.357  -4.555
  286    HG3  PRO  18           HG1      PRO  18  -7.643  -1.618  -6.125
  287    HD2  PRO  18           HD2      PRO  18  -6.816  -0.729  -3.385
  288    HD3  PRO  18           HD1      PRO  18  -5.846  -0.864  -4.868
  289    H    TRP  19           HN       TRP  19 -11.010   1.637  -5.227
  290    HA   TRP  19           HA       TRP  19 -10.941   3.698  -3.285
  291    HB2  TRP  19           HB2      TRP  19 -12.582   3.528  -5.184
  292    HB3  TRP  19           HB1      TRP  19 -13.306   2.134  -4.399
  293    HD1  TRP  19           HD1      TRP  19 -13.089   5.933  -4.173
  294    HE1  TRP  19           HE1      TRP  19 -14.910   6.770  -2.566
  295    HE3  TRP  19          3HE       TRP  19 -14.747   1.442  -2.405
  296    HZ2  TRP  19           HZ2      TRP  19 -16.798   5.678  -0.797
  297    HZ3  TRP  19           HZ3      TRP  19 -16.553   1.425  -0.764
  298    HH2  TRP  19          2HH       TRP  19 -17.568   3.504   0.023
  299    HA   PRO  20           HA       PRO  20 -12.070   4.547  -1.689
  300    HB2  PRO  20           HB2      PRO  20 -12.335   5.111   0.894
  301    HB3  PRO  20           HB1      PRO  20 -13.642   4.350  -0.020
  302    HG2  PRO  20           HG2      PRO  20 -11.791   3.163   1.974
  303    HG3  PRO  20           HG1      PRO  20 -13.462   2.725   1.591
  304    HD2  PRO  20           HD2      PRO  20 -11.081   1.470   0.654
  305    HD3  PRO  20           HD1      PRO  20 -12.746   1.118   0.156
  306    H    LEU  21           HN       LEU  21  -9.479   2.773  -0.994
  307    HA   LEU  21           HA       LEU  21  -7.892   4.264   0.836
  308    HB2  LEU  21           HB2      LEU  21  -7.661   1.852  -0.302
  309    HB3  LEU  21           HB1      LEU  21  -6.694   2.746  -1.438
  310    HG   LEU  21           HG       LEU  21  -5.212   1.704   0.073
  311   HD11  LEU  21          HD11      LEU  21  -5.398   4.566   0.916
  312   HD12  LEU  21          HD12      LEU  21  -4.535   3.928  -0.482
  313   HD13  LEU  21          HD13      LEU  21  -4.014   3.494   1.145
  314   HD21  LEU  21          HD21      LEU  21  -6.821   2.866   2.325
  315   HD22  LEU  21          HD22      LEU  21  -5.306   1.982   2.497
  316   HD23  LEU  21          HD23      LEU  21  -6.731   1.170   1.852
  317    H    GLY  22           HN       GLY  22  -7.894   4.054  -2.707
  318    HA2  GLY  22           HA2      GLY  22  -7.893   5.863  -4.186
  319    HA3  GLY  22           HA1      GLY  22  -7.406   6.908  -2.861
  320    H    HIS  23           HN       HIS  23  -5.978   7.693  -4.541
  321    HA   HIS  23           HA       HIS  23  -3.675   5.997  -5.133
  322    HB2  HIS  23           HB2      HIS  23  -4.304   8.825  -6.067
  323    HB3  HIS  23           HB1      HIS  23  -2.997   7.810  -6.665
  324    HD1  HIS  23           HD1      HIS  23  -3.615   6.024  -8.461
  325    HD2  HIS  23           HD2      HIS  23  -6.884   8.119  -6.969
  326    HE1  HIS  23           HE1      HIS  23  -5.577   5.385  -9.898
  327    H    GLN  24           HN       GLN  24  -2.045   6.021  -3.701
  328    HA   GLN  24           HA       GLN  24  -1.824   8.405  -1.996
  329    HB2  GLN  24           HB2      GLN  24  -1.459   5.518  -1.210
  330    HB3  GLN  24           HB1      GLN  24  -1.103   6.892  -0.174
  331    HG2  GLN  24           HG2      GLN  24  -3.813   6.200  -1.297
  332    HG3  GLN  24           HG1      GLN  24  -3.265   5.876   0.348
  333   HE21  GLN  24          1HE2      GLN  24  -5.509   7.493  -0.586
  334   HE22  GLN  24          2HE2      GLN  24  -5.231   9.083   0.034
  335    H    CYS  25           HN       CYS  25   0.204   8.980  -1.257
  336    HA   CYS  25           HA       CYS  25   2.473   7.631  -2.460
  337    HB2  CYS  25           HB2      CYS  25   2.019  10.606  -2.132
  338    HB3  CYS  25           HB1      CYS  25   3.572   9.887  -2.539
  339    H    PHE  26           HN       PHE  26   4.240   7.420  -1.136
  340    HA   PHE  26           HA       PHE  26   3.578   7.761   1.684
  341    HB2  PHE  26           HB2      PHE  26   5.612   5.954   0.372
  342    HB3  PHE  26           HB1      PHE  26   5.224   5.991   2.087
  343    HD1  PHE  26           HD1      PHE  26   2.826   5.426   2.763
  344    HD2  PHE  26           HD2      PHE  26   4.421   4.578  -1.087
  345    HE1  PHE  26           HE1      PHE  26   1.056   3.762   2.400
  346    HE2  PHE  26           HE2      PHE  26   2.653   2.914  -1.459
  347    HZ   PHE  26           HZ       PHE  26   0.964   2.505   0.291
  348    HA   PRO  27           HA       PRO  27   6.666  11.035   1.312
  349    HB2  PRO  27           HB2      PRO  27   6.061  12.293   3.639
  350    HB3  PRO  27           HB1      PRO  27   5.115  12.489   2.162
  351    HG2  PRO  27           HG2      PRO  27   4.562  10.782   4.547
  352    HG3  PRO  27           HG1      PRO  27   3.437  11.751   3.581
  353    HD2  PRO  27           HD2      PRO  27   3.719   9.053   3.328
  354    HD3  PRO  27           HD1      PRO  27   3.202  10.109   1.998
  355    H    ASP  28           HN       ASP  28   6.256   8.795   3.933
  356    HA   ASP  28           HA       ASP  28   9.071   9.223   4.673
  357    HB2  ASP  28           HB2      ASP  28   8.590   8.435   6.901
  358    HB3  ASP  28           HB1      ASP  28   7.411   9.675   6.515
  Start of MODEL    4
    1    H1   GLY   1           HN       GLY   1  -6.685  -7.718   4.188
    2    HA2  GLY   1           HA2      GLY   1  -7.712  -5.855   3.142
    3    HA3  GLY   1           HA1      GLY   1  -8.389  -5.394   4.709
    4    H    PHE   2           HN       PHE   2  -7.314  -3.319   3.803
    5    HA   PHE   2           HA       PHE   2  -4.799  -3.127   5.234
    6    HB2  PHE   2           HB2      PHE   2  -4.080  -3.640   2.937
    7    HB3  PHE   2           HB1      PHE   2  -5.031  -2.297   2.329
    8    HD1  PHE   2           HD1      PHE   2  -3.865  -0.397   1.798
    9    HD2  PHE   2           HD2      PHE   2  -2.374  -2.896   4.896
   10    HE1  PHE   2           HE1      PHE   2  -1.928   1.092   2.057
   11    HE2  PHE   2           HE2      PHE   2  -0.431  -1.412   5.159
   12    HZ   PHE   2           HZ       PHE   2  -0.207   0.583   3.739
   13    H    CYS   3           HN       CYS   3  -4.627  -1.277   6.287
   14    HA   CYS   3           HA       CYS   3  -6.535   0.839   5.657
   15    HB2  CYS   3           HB2      CYS   3  -5.637  -0.143   8.371
   16    HB3  CYS   3           HB1      CYS   3  -6.582   1.313   8.099
   17    H    TRP   4           HN       TRP   4  -5.641   2.696   5.276
   18    HA   TRP   4           HA       TRP   4  -3.231   3.506   6.618
   19    HB2  TRP   4           HB2      TRP   4  -2.466   2.270   4.579
   20    HB3  TRP   4           HB1      TRP   4  -3.379   3.389   3.586
   21    HD1  TRP   4           HD1      TRP   4  -2.264   5.768   3.142
   22    HE1  TRP   4           HE1      TRP   4   0.059   6.717   3.571
   23    HE3  TRP   4          3HE       TRP   4  -0.518   2.162   6.293
   24    HZ2  TRP   4           HZ2      TRP   4   2.365   6.038   5.071
   25    HZ3  TRP   4           HZ3      TRP   4   1.772   2.387   7.184
   26    HH2  TRP   4          2HH       TRP   4   3.171   4.278   6.586
   27    H    HIS   5           HN       HIS   5  -3.695   5.453   7.285
   28    HA   HIS   5           HA       HIS   5  -4.621   7.449   7.595
   29    HB2  HIS   5           HB2      HIS   5  -4.404   7.598   4.579
   30    HB3  HIS   5           HB1      HIS   5  -4.911   8.961   5.573
   31    HD1  HIS   5           HD1      HIS   5  -2.158   8.673   3.808
   32    HD2  HIS   5           HD2      HIS   5  -2.617   8.461   7.932
   33    HE1  HIS   5           HE1      HIS   5   0.086   9.225   4.792
   34    H    HIS   6           HN       HIS   6  -6.297   5.628   8.007
   35    HA   HIS   6           HA       HIS   6  -8.434   5.232   8.506
   36    HB2  HIS   6           HB2      HIS   6  -8.869   8.047   7.505
   37    HB3  HIS   6           HB1      HIS   6 -10.126   7.082   8.273
   38    HD1  HIS   6           HD1      HIS   6  -9.876   6.689  10.849
   39    HD2  HIS   6           HD2      HIS   6  -6.941   9.086   9.167
   40    HE1  HIS   6           HE1      HIS   6  -8.692   7.804  12.781
   41    H    SER   7           HN       SER   7  -7.360   4.933   5.644
   42    HA   SER   7           HA       SER   7  -9.971   4.468   4.420
   43    HB2  SER   7           HB2      SER   7  -7.263   4.726   3.140
   44    HB3  SER   7           HB1      SER   7  -8.821   4.670   2.298
   45    HG   SER   7           HG       SER   7  -8.090   6.638   4.194
   46    H    CYS   8           HN       CYS   8 -10.512   2.365   4.486
   47    HA   CYS   8           HA       CYS   8  -8.360   0.380   4.572
   48    HB2  CYS   8           HB2      CYS   8 -11.107   0.261   5.814
   49    HB3  CYS   8           HB1      CYS   8  -9.931  -1.047   5.824
   50    H    VAL   9           HN       VAL   9  -8.250  -0.838   2.871
   51    HA   VAL   9           HA       VAL   9 -10.569  -1.106   1.139
   52    HB   VAL   9           HB       VAL   9  -9.014  -2.360  -0.426
   53   HG11  VAL   9          HG11      VAL   9  -8.223   0.437   0.353
   54   HG12  VAL   9          HG12      VAL   9  -9.501  -0.019  -0.774
   55   HG13  VAL   9          3HG1      VAL   9  -7.815  -0.351  -1.170
   56   HG21  VAL   9          HG21      VAL   9  -6.907  -1.430   1.529
   57   HG22  VAL   9          HG22      VAL   9  -6.590  -2.154  -0.049
   58   HG23  VAL   9          HG23      VAL   9  -7.364  -3.105   1.221
   59    HA   PRO  10           HA       PRO  10 -12.016  -4.969   2.541
   60    HB2  PRO  10           HB2      PRO  10 -11.975  -5.995  -0.245
   61    HB3  PRO  10           HB1      PRO  10 -13.322  -5.878   0.886
   62    HG2  PRO  10           HG2      PRO  10 -13.143  -4.184  -1.140
   63    HG3  PRO  10           HG1      PRO  10 -13.660  -3.620   0.459
   64    HD2  PRO  10           HD2      PRO  10 -10.999  -3.346  -0.876
   65    HD3  PRO  10           HD1      PRO  10 -11.914  -2.158   0.077
   66    H    SER  11           HN       SER  11 -11.588  -7.155   2.877
   67    HA   SER  11           HA       SER  11  -8.893  -7.957   2.975
   68    HB2  SER  11           HB2      SER  11 -11.411  -9.621   3.207
   69    HB3  SER  11           HB1      SER  11  -9.826  -9.989   3.889
   70    HG   SER  11           HG       SER  11 -10.653  -9.044   5.576
   71    H    GLY  12           HN       GLY  12  -7.704  -8.786   1.341
   72    HA2  GLY  12           HA2      GLY  12  -7.516 -10.589  -0.260
   73    HA3  GLY  12           HA1      GLY  12  -9.148 -10.211  -0.790
   74    H    THR  13           HN       THR  13  -7.995  -7.273  -0.318
   75    HA   THR  13           HA       THR  13  -7.627  -6.676  -3.049
   76    HB   THR  13           HB       THR  13  -6.791  -5.016  -0.649
   77    HG1  THR  13           HG1      THR  13  -8.904  -5.198  -0.326
   78   HG21  THR  13          HG21      THR  13  -7.127  -3.103  -2.161
   79   HG22  THR  13          HG22      THR  13  -7.515  -4.212  -3.476
   80   HG23  THR  13          HG23      THR  13  -5.892  -4.196  -2.789
   81    H    CYS  14           HN       CYS  14  -5.818  -6.787  -4.306
   82    HA   CYS  14           HA       CYS  14  -3.223  -7.078  -2.988
   83    HB2  CYS  14           HB2      CYS  14  -4.041  -7.927  -5.772
   84    HB3  CYS  14           HB1      CYS  14  -2.483  -8.207  -5.007
   85    H    ALA  15           HN       ALA  15  -1.683  -5.670  -3.424
   86    HA   ALA  15           HA       ALA  15  -2.347  -3.590  -5.370
   87    HB1  ALA  15           HB1      ALA  15  -1.266  -1.963  -3.914
   88    HB2  ALA  15           HB2      ALA  15  -0.933  -3.230  -2.735
   89    HB3  ALA  15           HB3      ALA  15  -2.599  -2.765  -3.082
   90    H    ASP  16           HN       ASP  16  -0.857  -3.071  -6.752
   91    HA   ASP  16           HA       ASP  16   1.601  -4.593  -6.860
   92    HB2  ASP  16           HB2      ASP  16   0.331  -4.429  -8.905
   93    HB3  ASP  16           HB1      ASP  16   0.254  -2.681  -8.774
   94    H    PHE  17           HN       PHE  17   3.196  -3.828  -5.671
   95    HA   PHE  17           HA       PHE  17   3.673  -0.942  -5.548
   96    HB2  PHE  17           HB2      PHE  17   4.672  -3.229  -3.846
   97    HB3  PHE  17           HB1      PHE  17   5.246  -1.581  -3.696
   98    HD1  PHE  17           HD1      PHE  17   3.814   0.132  -2.749
   99    HD2  PHE  17           HD2      PHE  17   2.573  -3.925  -2.988
  100    HE1  PHE  17           HE1      PHE  17   2.076   0.577  -1.085
  101    HE2  PHE  17           HE2      PHE  17   0.820  -3.493  -1.331
  102    HZ   PHE  17           HZ       PHE  17   0.567  -1.236  -0.368
  103    HA   PRO  18           HA       PRO  18   7.509  -1.662  -7.839
  104    HB2  PRO  18           HB2      PRO  18   8.803   0.269  -6.005
  105    HB3  PRO  18           HB1      PRO  18   8.599   0.375  -7.754
  106    HG2  PRO  18           HG2      PRO  18   7.205   1.946  -6.121
  107    HG3  PRO  18           HG1      PRO  18   6.469   1.269  -7.587
  108    HD2  PRO  18           HD2      PRO  18   6.212   0.356  -4.745
  109    HD3  PRO  18           HD1      PRO  18   4.950   0.555  -5.983
  110    H    TRP  19           HN       TRP  19   9.848  -2.210  -7.305
  111    HA   TRP  19           HA       TRP  19  10.115  -4.236  -5.387
  112    HB2  TRP  19           HB2      TRP  19  11.565  -3.961  -7.397
  113    HB3  TRP  19           HB1      TRP  19  12.236  -2.495  -6.709
  114    HD1  TRP  19           HD1      TRP  19  12.453  -6.308  -6.468
  115    HE1  TRP  19           HE1      TRP  19  14.559  -6.930  -5.148
  116    HE3  TRP  19          3HE       TRP  19  13.777  -1.676  -4.833
  117    HZ2  TRP  19           HZ2      TRP  19  16.521  -5.637  -3.608
  118    HZ3  TRP  19           HZ3      TRP  19  15.776  -1.444  -3.442
  119    HH2  TRP  19          2HH       TRP  19  17.126  -3.380  -2.838
  120    HA   PRO  20           HA       PRO  20  11.580  -5.024  -3.989
  121    HB2  PRO  20           HB2      PRO  20  11.909  -5.473  -1.236
  122    HB3  PRO  20           HB1      PRO  20  13.178  -5.154  -2.415
  123    HG2  PRO  20           HG2      PRO  20  12.430  -3.456  -0.296
  124    HG3  PRO  20           HG1      PRO  20  13.452  -3.029  -1.673
  125    HD2  PRO  20           HD2      PRO  20  10.535  -2.540  -1.263
  126    HD3  PRO  20           HD1      PRO  20  11.754  -1.513  -2.048
  127    H    LEU  21           HN       LEU  21   8.771  -3.727  -3.256
  128    HA   LEU  21           HA       LEU  21   7.693  -5.882  -1.627
  129    HB2  LEU  21           HB2      LEU  21   6.514  -3.304  -2.578
  130    HB3  LEU  21           HB1      LEU  21   5.462  -4.595  -2.053
  131    HG   LEU  21           HG       LEU  21   5.713  -3.061  -0.270
  132   HD11  LEU  21          HD11      LEU  21   5.605  -5.360   0.383
  133   HD12  LEU  21          HD12      LEU  21   6.637  -4.454   1.489
  134   HD13  LEU  21          HD13      LEU  21   7.359  -5.506   0.288
  135   HD21  LEU  21          HD21      LEU  21   7.878  -2.507   0.741
  136   HD22  LEU  21          HD22      LEU  21   7.747  -1.971  -0.936
  137   HD23  LEU  21          HD23      LEU  21   8.691  -3.411  -0.543
  138    H    GLY  22           HN       GLY  22   6.879  -4.487  -4.783
  139    HA2  GLY  22           HA2      GLY  22   6.169  -5.614  -6.678
  140    HA3  GLY  22           HA1      GLY  22   6.374  -7.131  -5.798
  141    H    HIS  23           HN       HIS  23   4.402  -8.014  -6.297
  142    HA   HIS  23           HA       HIS  23   2.043  -6.462  -5.708
  143    HB2  HIS  23           HB2      HIS  23   0.771  -8.473  -6.533
  144    HB3  HIS  23           HB1      HIS  23   1.834  -7.743  -7.723
  145    HD1  HIS  23           HD1      HIS  23   3.755  -9.235  -8.619
  146    HD2  HIS  23           HD2      HIS  23   1.435 -11.035  -5.686
  147    HE1  HIS  23           HE1      HIS  23   4.393 -11.685  -8.620
  148    H    GLN  24           HN       GLN  24   1.244  -6.336  -3.823
  149    HA   GLN  24           HA       GLN  24   1.677  -8.550  -1.947
  150    HB2  GLN  24           HB2      GLN  24   1.475  -5.603  -1.391
  151    HB3  GLN  24           HB1      GLN  24   1.501  -6.838  -0.147
  152    HG2  GLN  24           HG2      GLN  24   3.713  -6.314  -2.126
  153    HG3  GLN  24           HG1      GLN  24   3.689  -5.789  -0.441
  154   HE21  GLN  24          1HE2      GLN  24   3.906  -7.332   1.174
  155   HE22  GLN  24          2HE2      GLN  24   4.515  -8.919   0.875
  156    H    CYS  25           HN       CYS  25  -0.072  -9.568  -1.442
  157    HA   CYS  25           HA       CYS  25  -2.667  -8.289  -1.733
  158    HB2  CYS  25           HB2      CYS  25  -1.918 -11.172  -1.245
  159    HB3  CYS  25           HB1      CYS  25  -3.571 -10.581  -1.390
  160    H    PHE  26           HN       PHE  26  -3.939  -7.770  -0.115
  161    HA   PHE  26           HA       PHE  26  -2.832  -8.130   2.566
  162    HB2  PHE  26           HB2      PHE  26  -4.896  -6.152   1.580
  163    HB3  PHE  26           HB1      PHE  26  -4.194  -6.197   3.192
  164    HD1  PHE  26           HD1      PHE  26  -1.646  -5.898   3.356
  165    HD2  PHE  26           HD2      PHE  26  -3.923  -4.862  -0.084
  166    HE1  PHE  26           HE1      PHE  26   0.155  -4.401   2.617
  167    HE2  PHE  26           HE2      PHE  26  -2.125  -3.365  -0.827
  168    HZ   PHE  26           HZ       PHE  26  -0.078  -3.134   0.530
  169    HA   PRO  27           HA       PRO  27  -6.177 -11.159   2.564
  170    HB2  PRO  27           HB2      PRO  27  -5.419 -12.410   4.871
  171    HB3  PRO  27           HB1      PRO  27  -4.707 -12.749   3.292
  172    HG2  PRO  27           HG2      PRO  27  -3.672 -11.056   5.520
  173    HG3  PRO  27           HG1      PRO  27  -2.788 -12.141   4.432
  174    HD2  PRO  27           HD2      PRO  27  -2.826  -9.446   4.153
  175    HD3  PRO  27           HD1      PRO  27  -2.645 -10.555   2.779
  176    H    ASP  28           HN       ASP  28  -5.362  -9.150   5.356
  177    HA   ASP  28           HA       ASP  28  -8.084  -9.545   6.371
  178    HB2  ASP  28           HB2      ASP  28  -6.177  -9.772   7.959
  179    HB3  ASP  28           HB1      ASP  28  -5.737  -8.099   7.642
  180    H1   GLY   1           HN       GLY   1   7.709   7.445   2.462
  181    HA2  GLY   1           HA2      GLY   1   8.513   5.537   1.366
  182    HA3  GLY   1           HA1      GLY   1   9.638   5.273   2.697
  183    H    PHE   2           HN       PHE   2   8.277   3.144   1.940
  184    HA   PHE   2           HA       PHE   2   6.302   2.815   4.075
  185    HB2  PHE   2           HB2      PHE   2   5.034   3.201   2.019
  186    HB3  PHE   2           HB1      PHE   2   5.935   1.943   1.198
  187    HD1  PHE   2           HD1      PHE   2   4.999  -0.158   1.046
  188    HD2  PHE   2           HD2      PHE   2   3.741   2.439   4.173
  189    HE1  PHE   2           HE1      PHE   2   3.283  -1.787   1.704
  190    HE2  PHE   2           HE2      PHE   2   2.025   0.809   4.839
  191    HZ   PHE   2           HZ       PHE   2   1.794  -1.306   3.602
  192    H    CYS   3           HN       CYS   3   6.658   1.054   5.212
  193    HA   CYS   3           HA       CYS   3   8.514  -0.929   4.132
  194    HB2  CYS   3           HB2      CYS   3   8.186   0.051   6.969
  195    HB3  CYS   3           HB1      CYS   3   9.172  -1.328   6.496
  196    H    TRP   4           HN       TRP   4   7.675  -2.823   3.866
  197    HA   TRP   4           HA       TRP   4   5.703  -3.876   5.704
  198    HB2  TRP   4           HB2      TRP   4   4.408  -2.677   3.938
  199    HB3  TRP   4           HB1      TRP   4   5.200  -3.641   2.712
  200    HD1  TRP   4           HD1      TRP   4   4.437  -6.267   2.584
  201    HE1  TRP   4           HE1      TRP   4   2.226  -7.406   3.304
  202    HE3  TRP   4          3HE       TRP   4   2.567  -2.610   5.621
  203    HZ2  TRP   4           HZ2      TRP   4   0.015  -6.832   4.924
  204    HZ3  TRP   4           HZ3      TRP   4   0.396  -2.982   6.712
  205    HH2  TRP   4          2HH       TRP   4  -0.852  -5.050   6.367
  206    H    HIS   5           HN       HIS   5   6.158  -6.003   5.986
  207    HA   HIS   5           HA       HIS   5   7.023  -8.081   5.759
  208    HB2  HIS   5           HB2      HIS   5   5.702  -7.974   3.586
  209    HB3  HIS   5           HB1      HIS   5   7.184  -7.490   2.778
  210    HD1  HIS   5           HD1      HIS   5   8.135  -9.440   1.541
  211    HD2  HIS   5           HD2      HIS   5   6.307 -10.584   5.091
  212    HE1  HIS   5           HE1      HIS   5   8.355 -11.942   1.662
  213    H    HIS   6           HN       HIS   6   8.648  -5.718   6.128
  214    HA   HIS   6           HA       HIS   6  10.733  -5.151   6.620
  215    HB2  HIS   6           HB2      HIS   6  11.485  -7.943   5.716
  216    HB3  HIS   6           HB1      HIS   6  12.647  -6.794   6.367
  217    HD1  HIS   6           HD1      HIS   6  12.612  -6.414   8.945
  218    HD2  HIS   6           HD2      HIS   6   9.681  -9.021   7.569
  219    HE1  HIS   6           HE1      HIS   6  11.664  -7.532  10.983
  220    H    SER   7           HN       SER   7   9.546  -5.143   3.785
  221    HA   SER   7           HA       SER   7  11.996  -4.260   2.451
  222    HB2  SER   7           HB2      SER   7   9.299  -5.044   1.328
  223    HB3  SER   7           HB1      SER   7  10.689  -4.532   0.370
  224    HG   SER   7           HG       SER   7  11.750  -6.325   1.654
  225    H    CYS   8           HN       CYS   8  12.164  -2.106   1.903
  226    HA   CYS   8           HA       CYS   8   9.821  -0.436   2.483
  227    HB2  CYS   8           HB2      CYS   8  12.715   0.228   3.005
  228    HB3  CYS   8           HB1      CYS   8  11.331   1.266   3.323
  229    H    VAL   9           HN       VAL   9   9.201   0.835   0.907
  230    HA   VAL   9           HA       VAL   9  10.966   1.263  -1.375
  231    HB   VAL   9           HB       VAL   9   8.976   2.409  -2.452
  232   HG11  VAL   9          HG11      VAL   9   8.632  -0.414  -1.520
  233   HG12  VAL   9          HG12      VAL   9   9.432   0.124  -2.999
  234   HG13  VAL   9          3HG1      VAL   9   7.685   0.315  -2.815
  235   HG21  VAL   9          HG21      VAL   9   6.753   2.074  -1.463
  236   HG22  VAL   9          HG22      VAL   9   7.780   3.055  -0.413
  237   HG23  VAL   9          HG23      VAL   9   7.507   1.352  -0.041
  238    HA   PRO  10           HA       PRO  10  12.431   5.140  -0.029
  239    HB2  PRO  10           HB2      PRO  10  12.630   6.452  -2.438
  240    HB3  PRO  10           HB1      PRO  10  13.805   5.276  -1.845
  241    HG2  PRO  10           HG2      PRO  10  11.545   4.905  -3.763
  242    HG3  PRO  10           HG1      PRO  10  13.195   4.257  -3.836
  243    HD2  PRO  10           HD2      PRO  10  11.137   2.748  -3.060
  244    HD3  PRO  10           HD1      PRO  10  12.735   2.587  -2.300
  245    H    SER  11           HN       SER  11  11.947   7.274   0.270
  246    HA   SER  11           HA       SER  11   9.301   8.083   0.507
  247    HB2  SER  11           HB2      SER  11  11.770   9.825   0.303
  248    HB3  SER  11           HB1      SER  11  10.230  10.260   1.039
  249    HG   SER  11           HG       SER  11  12.070   8.288   1.927
  250    H    GLY  12           HN       GLY  12   7.924   8.889  -0.950
  251    HA2  GLY  12           HA2      GLY  12   7.479  10.500  -2.700
  252    HA3  GLY  12           HA1      GLY  12   9.030  10.068  -3.410
  253    H    THR  13           HN       THR  13   7.909   7.225  -2.420
  254    HA   THR  13           HA       THR  13   7.004   6.467  -5.021
  255    HB   THR  13           HB       THR  13   6.997   4.915  -2.416
  256    HG1  THR  13           HG1      THR  13   9.072   5.180  -2.777
  257   HG21  THR  13          HG21      THR  13   6.817   3.965  -5.285
  258   HG22  THR  13          HG22      THR  13   5.507   3.928  -4.107
  259   HG23  THR  13          HG23      THR  13   6.937   2.921  -3.869
  260    H    CYS  14           HN       CYS  14   4.975   6.718  -5.737
  261    HA   CYS  14           HA       CYS  14   2.810   6.814  -3.779
  262    HB2  CYS  14           HB2      CYS  14   2.748   7.883  -6.615
  263    HB3  CYS  14           HB1      CYS  14   1.586   8.178  -5.340
  264    H    ALA  15           HN       ALA  15   0.874   5.613  -4.353
  265    HA   ALA  15           HA       ALA  15   1.121   3.812  -6.616
  266    HB1  ALA  15           HB1      ALA  15   2.127   2.599  -4.740
  267    HB2  ALA  15           HB2      ALA  15   0.611   1.847  -5.244
  268    HB3  ALA  15           HB3      ALA  15   0.663   2.847  -3.792
  269    H    ASP  16           HN       ASP  16  -0.809   3.139  -7.406
  270    HA   ASP  16           HA       ASP  16  -3.162   4.609  -6.557
  271    HB2  ASP  16           HB2      ASP  16  -2.773   4.684  -8.907
  272    HB3  ASP  16           HB1      ASP  16  -2.502   2.950  -8.988
  273    H    PHE  17           HN       PHE  17  -4.242   3.713  -4.978
  274    HA   PHE  17           HA       PHE  17  -4.626   0.813  -4.907
  275    HB2  PHE  17           HB2      PHE  17  -5.067   2.986  -2.860
  276    HB3  PHE  17           HB1      PHE  17  -5.532   1.315  -2.617
  277    HD1  PHE  17           HD1      PHE  17  -3.949  -0.302  -1.991
  278    HD2  PHE  17           HD2      PHE  17  -2.710   3.635  -2.954
  279    HE1  PHE  17           HE1      PHE  17  -1.741  -0.765  -1.005
  280    HE2  PHE  17           HE2      PHE  17  -0.497   3.189  -1.974
  281    HZ   PHE  17           HZ       PHE  17  -0.016   0.987  -0.998
  282    HA   PRO  18           HA       PRO  18  -8.941   1.444  -5.902
  283    HB2  PRO  18           HB2      PRO  18  -9.834  -0.399  -3.818
  284    HB3  PRO  18           HB1      PRO  18  -9.910  -0.595  -5.569
  285    HG2  PRO  18           HG2      PRO  18  -8.253  -2.043  -3.992
  286    HG3  PRO  18           HG1      PRO  18  -7.874  -1.627  -5.671
  287    HD2  PRO  18           HD2      PRO  18  -6.875  -0.401  -3.137
  288    HD3  PRO  18           HD1      PRO  18  -6.008  -0.723  -4.651
  289    H    TRP  19           HN       TRP  19 -11.074   1.974  -4.823
  290    HA   TRP  19           HA       TRP  19 -10.764   4.065  -2.956
  291    HB2  TRP  19           HB2      TRP  19 -12.626   3.755  -4.705
  292    HB3  TRP  19           HB1      TRP  19 -13.312   2.552  -3.628
  293    HD1  TRP  19           HD1      TRP  19 -12.676   6.322  -3.871
  294    HE1  TRP  19           HE1      TRP  19 -14.248   7.521  -2.233
  295    HE3  TRP  19          3HE       TRP  19 -14.691   2.246  -1.543
  296    HZ2  TRP  19           HZ2      TRP  19 -16.087   6.845  -0.235
  297    HZ3  TRP  19           HZ3      TRP  19 -16.355   2.613   0.221
  298    HH2  TRP  19          2HH       TRP  19 -17.041   4.865   0.865
  299    HA   PRO  20           HA       PRO  20 -11.630   4.999  -1.293
  300    HB2  PRO  20           HB2      PRO  20 -11.501   5.598   1.321
  301    HB3  PRO  20           HB1      PRO  20 -12.976   5.017   0.544
  302    HG2  PRO  20           HG2      PRO  20 -11.221   3.647   2.451
  303    HG3  PRO  20           HG1      PRO  20 -12.881   3.259   1.981
  304    HD2  PRO  20           HD2      PRO  20 -10.391   2.088   1.036
  305    HD3  PRO  20           HD1      PRO  20 -12.055   1.565   0.717
  306    H    LEU  21           HN       LEU  21  -8.994   3.220  -1.006
  307    HA   LEU  21           HA       LEU  21  -7.269   5.038   0.381
  308    HB2  LEU  21           HB2      LEU  21  -6.779   2.567  -1.233
  309    HB3  LEU  21           HB1      LEU  21  -5.442   3.620  -0.820
  310    HG   LEU  21           HG       LEU  21  -7.241   2.364   1.264
  311   HD11  LEU  21          HD11      LEU  21  -5.485   0.777   1.613
  312   HD12  LEU  21          HD12      LEU  21  -4.532   1.472   0.299
  313   HD13  LEU  21          HD13      LEU  21  -6.052   0.638  -0.053
  314   HD21  LEU  21          HD21      LEU  21  -4.471   3.492   1.454
  315   HD22  LEU  21          HD22      LEU  21  -5.532   3.018   2.787
  316   HD23  LEU  21          HD23      LEU  21  -5.910   4.431   1.796
  317    H    GLY  22           HN       GLY  22  -7.467   4.095  -3.046
  318    HA2  GLY  22           HA2      GLY  22  -7.253   5.433  -4.908
  319    HA3  GLY  22           HA1      GLY  22  -7.233   6.837  -3.847
  320    H    HIS  23           HN       HIS  23  -5.525   7.768  -5.055
  321    HA   HIS  23           HA       HIS  23  -3.004   6.396  -5.233
  322    HB2  HIS  23           HB2      HIS  23  -3.654   9.324  -5.690
  323    HB3  HIS  23           HB1      HIS  23  -2.072   8.612  -5.940
  324    HD1  HIS  23           HD1      HIS  23  -1.777   7.123  -8.125
  325    HD2  HIS  23           HD2      HIS  23  -5.511   8.890  -7.636
  326    HE1  HIS  23           HE1      HIS  23  -2.917   6.958 -10.347
  327    H    GLN  24           HN       GLN  24  -2.136   5.925  -3.398
  328    HA   GLN  24           HA       GLN  24  -1.949   7.971  -1.299
  329    HB2  GLN  24           HB2      GLN  24  -1.449   4.987  -1.199
  330    HB3  GLN  24           HB1      GLN  24  -1.282   6.085   0.164
  331    HG2  GLN  24           HG2      GLN  24  -3.837   5.585  -1.339
  332    HG3  GLN  24           HG1      GLN  24  -3.387   4.818   0.185
  333   HE21  GLN  24          1HE2      GLN  24  -3.466   5.990   2.035
  334   HE22  GLN  24          2HE2      GLN  24  -4.213   7.545   2.147
  335    H    CYS  25           HN       CYS  25   0.079   8.701  -0.707
  336    HA   CYS  25           HA       CYS  25   2.248   7.452  -2.166
  337    HB2  CYS  25           HB2      CYS  25   1.460   9.634  -3.204
  338    HB3  CYS  25           HB1      CYS  25   2.053  10.431  -1.749
  339    H    PHE  26           HN       PHE  26   4.199   7.390  -1.153
  340    HA   PHE  26           HA       PHE  26   3.916   7.708   1.741
  341    HB2  PHE  26           HB2      PHE  26   5.739   5.853   0.203
  342    HB3  PHE  26           HB1      PHE  26   5.482   5.846   1.942
  343    HD1  PHE  26           HD1      PHE  26   3.039   5.441   2.738
  344    HD2  PHE  26           HD2      PHE  26   4.458   4.479  -1.159
  345    HE1  PHE  26           HE1      PHE  26   1.168   3.873   2.444
  346    HE2  PHE  26           HE2      PHE  26   2.589   2.911  -1.457
  347    HZ   PHE  26           HZ       PHE  26   0.939   2.607   0.346
  348    HA   PRO  27           HA       PRO  27   7.070  10.856   0.732
  349    HB2  PRO  27           HB2      PRO  27   6.544  12.516   2.780
  350    HB3  PRO  27           HB1      PRO  27   5.522  12.451   1.340
  351    HG2  PRO  27           HG2      PRO  27   5.097  11.207   4.021
  352    HG3  PRO  27           HG1      PRO  27   3.929  12.033   2.975
  353    HD2  PRO  27           HD2      PRO  27   4.152   9.318   3.160
  354    HD3  PRO  27           HD1      PRO  27   3.555  10.155   1.717
  355    H    ASP  28           HN       ASP  28   6.730   8.810   3.418
  356    HA   ASP  28           HA       ASP  28   9.472   9.471   4.308
  357    HB2  ASP  28           HB2      ASP  28   7.728   9.692   6.083
  358    HB3  ASP  28           HB1      ASP  28   7.277   8.016   5.827
  Start of MODEL    5
    1    H1   GLY   1           HN       GLY   1  -6.297  -7.849   4.498
    2    HA2  GLY   1           HA2      GLY   1  -7.363  -6.042   3.511
    3    HA3  GLY   1           HA1      GLY   1  -7.949  -5.554   5.104
    4    H    PHE   2           HN       PHE   2  -7.112  -3.469   3.952
    5    HA   PHE   2           HA       PHE   2  -4.481  -2.979   5.095
    6    HB2  PHE   2           HB2      PHE   2  -3.981  -3.465   2.764
    7    HB3  PHE   2           HB1      PHE   2  -5.224  -2.353   2.224
    8    HD1  PHE   2           HD1      PHE   2  -4.635  -0.183   1.657
    9    HD2  PHE   2           HD2      PHE   2  -2.051  -2.449   4.170
   10    HE1  PHE   2           HE1      PHE   2  -2.956   1.609   1.540
   11    HE2  PHE   2           HE2      PHE   2  -0.372  -0.660   4.059
   12    HZ   PHE   2           HZ       PHE   2  -0.821   1.373   2.742
   13    H    CYS   3           HN       CYS   3  -4.407  -1.079   6.122
   14    HA   CYS   3           HA       CYS   3  -6.488   0.871   5.525
   15    HB2  CYS   3           HB2      CYS   3  -5.466   0.101   8.261
   16    HB3  CYS   3           HB1      CYS   3  -6.645   1.355   7.912
   17    H    TRP   4           HN       TRP   4  -5.716   2.812   5.224
   18    HA   TRP   4           HA       TRP   4  -3.362   3.729   6.567
   19    HB2  TRP   4           HB2      TRP   4  -2.491   2.638   4.474
   20    HB3  TRP   4           HB1      TRP   4  -3.494   3.717   3.527
   21    HD1  TRP   4           HD1      TRP   4  -2.708   6.290   3.382
   22    HE1  TRP   4           HE1      TRP   4  -0.393   7.403   3.799
   23    HE3  TRP   4          3HE       TRP   4  -0.396   2.501   5.913
   24    HZ2  TRP   4           HZ2      TRP   4   2.033   6.761   5.023
   25    HZ3  TRP   4           HZ3      TRP   4   1.925   2.829   6.670
   26    HH2  TRP   4          2HH       TRP   4   3.112   4.915   6.233
   27    H    HIS   5           HN       HIS   5  -3.544   5.929   6.860
   28    HA   HIS   5           HA       HIS   5  -4.543   7.952   7.052
   29    HB2  HIS   5           HB2      HIS   5  -4.051   7.923   4.560
   30    HB3  HIS   5           HB1      HIS   5  -5.696   7.383   4.297
   31    HD1  HIS   5           HD1      HIS   5  -6.258   9.508   2.910
   32    HD2  HIS   5           HD2      HIS   5  -5.000  10.321   6.782
   33    HE1  HIS   5           HE1      HIS   5  -6.753  11.945   3.305
   34    H    HIS   6           HN       HIS   6  -5.813   5.450   7.813
   35    HA   HIS   6           HA       HIS   6  -7.568   4.707   8.917
   36    HB2  HIS   6           HB2      HIS   6  -8.686   7.511   8.626
   37    HB3  HIS   6           HB1      HIS   6  -9.416   6.253   9.617
   38    HD1  HIS   6           HD1      HIS   6  -8.221   5.704  11.902
   39    HD2  HIS   6           HD2      HIS   6  -6.351   8.645   9.637
   40    HE1  HIS   6           HE1      HIS   6  -6.530   6.780  13.411
   41    H    SER   7           HN       SER   7  -7.485   5.068   5.847
   42    HA   SER   7           HA       SER   7 -10.256   4.346   5.290
   43    HB2  SER   7           HB2      SER   7  -7.910   4.848   3.441
   44    HB3  SER   7           HB1      SER   7  -9.579   4.611   2.935
   45    HG   SER   7           HG       SER   7  -9.596   6.509   4.740
   46    H    CYS   8           HN       CYS   8 -10.737   2.209   5.021
   47    HA   CYS   8           HA       CYS   8  -8.461   0.368   4.875
   48    HB2  CYS   8           HB2      CYS   8 -11.130  -0.005   6.222
   49    HB3  CYS   8           HB1      CYS   8  -9.930  -1.273   6.023
   50    H    VAL   9           HN       VAL   9  -8.428  -1.182   3.417
   51    HA   VAL   9           HA       VAL   9 -10.810  -1.576   1.759
   52    HB   VAL   9           HB       VAL   9  -9.275  -2.632   0.042
   53   HG11  VAL   9          HG11      VAL   9  -8.746   0.236   0.746
   54   HG12  VAL   9          HG12      VAL   9 -10.019  -0.381  -0.306
   55   HG13  VAL   9          3HG1      VAL   9  -8.329  -0.508  -0.797
   56   HG21  VAL   9          HG21      VAL   9  -7.096  -1.460   1.763
   57   HG22  VAL   9          HG22      VAL   9  -6.867  -2.166   0.161
   58   HG23  VAL   9          HG23      VAL   9  -7.397  -3.178   1.506
   59    HA   PRO  10           HA       PRO  10 -11.312  -5.440   3.645
   60    HB2  PRO  10           HB2      PRO  10 -12.539  -6.875   1.737
   61    HB3  PRO  10           HB1      PRO  10 -13.323  -5.520   2.560
   62    HG2  PRO  10           HG2      PRO  10 -11.954  -5.572  -0.111
   63    HG3  PRO  10           HG1      PRO  10 -13.522  -4.861   0.312
   64    HD2  PRO  10           HD2      PRO  10 -11.299  -3.373   0.100
   65    HD3  PRO  10           HD1      PRO  10 -12.554  -3.012   1.302
   66    H    SER  11           HN       SER  11 -10.831  -7.674   3.636
   67    HA   SER  11           HA       SER  11  -8.286  -8.410   2.787
   68    HB2  SER  11           HB2      SER  11 -10.614 -10.141   3.622
   69    HB3  SER  11           HB1      SER  11  -8.903 -10.578   3.657
   70    HG   SER  11           HG       SER  11  -8.882  -9.797   5.542
   71    H    GLY  12           HN       GLY  12  -7.616  -9.433   0.960
   72    HA2  GLY  12           HA2      GLY  12  -8.123 -10.987  -0.837
   73    HA3  GLY  12           HA1      GLY  12  -9.708 -10.227  -0.943
   74    H    THR  13           HN       THR  13  -8.319  -7.601  -0.395
   75    HA   THR  13           HA       THR  13  -8.063  -6.786  -3.094
   76    HB   THR  13           HB       THR  13  -7.205  -5.320  -0.582
   77    HG1  THR  13           HG1      THR  13  -9.278  -5.562  -0.218
   78   HG21  THR  13          HG21      THR  13  -8.038  -4.286  -3.306
   79   HG22  THR  13          HG22      THR  13  -6.388  -4.305  -2.685
   80   HG23  THR  13          HG23      THR  13  -7.609  -3.291  -1.914
   81    H    CYS  14           HN       CYS  14  -6.278  -6.728  -4.364
   82    HA   CYS  14           HA       CYS  14  -3.672  -7.047  -3.081
   83    HB2  CYS  14           HB2      CYS  14  -4.517  -7.995  -5.835
   84    HB3  CYS  14           HB1      CYS  14  -2.906  -8.151  -5.151
   85    H    ALA  15           HN       ALA  15  -1.964  -5.838  -3.965
   86    HA   ALA  15           HA       ALA  15  -2.632  -3.715  -5.847
   87    HB1  ALA  15           HB1      ALA  15  -1.605  -3.222  -3.049
   88    HB2  ALA  15           HB2      ALA  15  -3.204  -2.796  -3.648
   89    HB3  ALA  15           HB3      ALA  15  -1.775  -1.986  -4.297
   90    H    ASP  16           HN       ASP  16  -0.774  -2.916  -6.889
   91    HA   ASP  16           HA       ASP  16   1.579  -4.593  -6.485
   92    HB2  ASP  16           HB2      ASP  16   2.270  -4.080  -8.726
   93    HB3  ASP  16           HB1      ASP  16   0.567  -4.488  -8.793
   94    H    PHE  17           HN       PHE  17   3.587  -3.767  -6.213
   95    HA   PHE  17           HA       PHE  17   3.852  -0.913  -5.612
   96    HB2  PHE  17           HB2      PHE  17   4.624  -3.268  -3.888
   97    HB3  PHE  17           HB1      PHE  17   5.305  -1.671  -3.664
   98    HD1  PHE  17           HD1      PHE  17   4.137  -0.022  -2.474
   99    HD2  PHE  17           HD2      PHE  17   2.206  -3.671  -3.485
  100    HE1  PHE  17           HE1      PHE  17   2.319   0.512  -0.919
  101    HE2  PHE  17           HE2      PHE  17   0.384  -3.144  -1.934
  102    HZ   PHE  17           HZ       PHE  17   0.440  -1.047  -0.646
  103    HA   PRO  18           HA       PRO  18   7.830  -1.383  -7.693
  104    HB2  PRO  18           HB2      PRO  18   9.053   0.144  -5.461
  105    HB3  PRO  18           HB1      PRO  18   9.028   0.515  -7.187
  106    HG2  PRO  18           HG2      PRO  18   7.536   1.904  -5.496
  107    HG3  PRO  18           HG1      PRO  18   6.909   1.450  -7.092
  108    HD2  PRO  18           HD2      PRO  18   6.370   0.206  -4.424
  109    HD3  PRO  18           HD1      PRO  18   5.239   0.593  -5.740
  110    H    TRP  19           HN       TRP  19  10.128  -2.038  -7.237
  111    HA   TRP  19           HA       TRP  19  10.302  -4.445  -5.803
  112    HB2  TRP  19           HB2      TRP  19  11.740  -3.722  -7.767
  113    HB3  TRP  19           HB1      TRP  19  12.565  -2.611  -6.688
  114    HD1  TRP  19           HD1      TRP  19  12.348  -6.288  -7.621
  115    HE1  TRP  19           HE1      TRP  19  14.295  -7.561  -6.516
  116    HE3  TRP  19          3HE       TRP  19  14.150  -2.595  -4.584
  117    HZ2  TRP  19           HZ2      TRP  19  16.312  -7.074  -4.629
  118    HZ3  TRP  19           HZ3      TRP  19  16.082  -3.082  -3.161
  119    HH2  TRP  19          2HH       TRP  19  17.146  -5.278  -3.180
  120    HA   PRO  20           HA       PRO  20  11.429  -5.663  -4.598
  121    HB2  PRO  20           HB2      PRO  20  11.945  -6.738  -2.142
  122    HB3  PRO  20           HB1      PRO  20  13.180  -6.104  -3.228
  123    HG2  PRO  20           HG2      PRO  20  12.362  -5.043  -0.676
  124    HG3  PRO  20           HG1      PRO  20  13.625  -4.451  -1.762
  125    HD2  PRO  20           HD2      PRO  20  10.843  -3.502  -1.428
  126    HD3  PRO  20           HD1      PRO  20  12.265  -2.639  -2.043
  127    H    LEU  21           HN       LEU  21   9.002  -4.118  -3.415
  128    HA   LEU  21           HA       LEU  21   7.669  -6.045  -1.787
  129    HB2  LEU  21           HB2      LEU  21   6.817  -3.477  -3.065
  130    HB3  LEU  21           HB1      LEU  21   5.624  -4.555  -2.390
  131    HG   LEU  21           HG       LEU  21   6.099  -2.794  -0.845
  132   HD11  LEU  21          HD11      LEU  21   7.254  -5.406   0.072
  133   HD12  LEU  21          HD12      LEU  21   5.561  -4.907   0.121
  134   HD13  LEU  21          HD13      LEU  21   6.768  -4.072   1.108
  135   HD21  LEU  21          HD21      LEU  21   8.244  -2.429   0.141
  136   HD22  LEU  21          HD22      LEU  21   8.389  -2.298  -1.631
  137   HD23  LEU  21          HD23      LEU  21   8.926  -3.758  -0.791
  138    H    GLY  22           HN       GLY  22   7.054  -4.877  -5.087
  139    HA2  GLY  22           HA2      GLY  22   6.328  -6.079  -6.893
  140    HA3  GLY  22           HA1      GLY  22   6.365  -7.544  -5.912
  141    H    HIS  23           HN       HIS  23   4.399  -8.388  -6.090
  142    HA   HIS  23           HA       HIS  23   2.057  -6.629  -6.006
  143    HB2  HIS  23           HB2      HIS  23   2.304  -9.546  -6.757
  144    HB3  HIS  23           HB1      HIS  23   0.816  -8.608  -6.801
  145    HD1  HIS  23           HD1      HIS  23   4.090  -9.051  -8.631
  146    HD2  HIS  23           HD2      HIS  23   0.537  -6.920  -8.961
  147    HE1  HIS  23           HE1      HIS  23   4.067  -8.081 -10.955
  148    H    GLN  24           HN       GLN  24   1.166  -6.322  -4.054
  149    HA   GLN  24           HA       GLN  24   1.441  -8.356  -1.985
  150    HB2  GLN  24           HB2      GLN  24   0.824  -5.436  -1.993
  151    HB3  GLN  24           HB1      GLN  24   0.332  -6.426  -0.637
  152    HG2  GLN  24           HG2      GLN  24   2.524  -5.121  -0.564
  153    HG3  GLN  24           HG1      GLN  24   2.511  -6.790   0.041
  154   HE21  GLN  24          1HE2      GLN  24   3.320  -4.723  -2.563
  155   HE22  GLN  24          2HE2      GLN  24   4.502  -5.759  -3.290
  156    H    CYS  25           HN       CYS  25  -0.239  -9.231  -1.077
  157    HA   CYS  25           HA       CYS  25  -2.914  -8.360  -1.835
  158    HB2  CYS  25           HB2      CYS  25  -1.897 -11.187  -1.474
  159    HB3  CYS  25           HB1      CYS  25  -3.608 -10.776  -1.492
  160    H    PHE  26           HN       PHE  26  -4.285  -8.081  -0.141
  161    HA   PHE  26           HA       PHE  26  -2.898  -8.194   2.430
  162    HB2  PHE  26           HB2      PHE  26  -5.204  -6.436   1.599
  163    HB3  PHE  26           HB1      PHE  26  -4.347  -6.362   3.133
  164    HD1  PHE  26           HD1      PHE  26  -1.838  -5.833   3.048
  165    HD2  PHE  26           HD2      PHE  26  -4.478  -5.179  -0.223
  166    HE1  PHE  26           HE1      PHE  26  -0.233  -4.244   2.073
  167    HE2  PHE  26           HE2      PHE  26  -2.878  -3.590  -1.203
  168    HZ   PHE  26           HZ       PHE  26  -0.752  -3.122  -0.054
  169    HA   PRO  27           HA       PRO  27  -6.050 -11.410   3.222
  170    HB2  PRO  27           HB2      PRO  27  -4.751 -12.481   5.370
  171    HB3  PRO  27           HB1      PRO  27  -4.373 -12.917   3.704
  172    HG2  PRO  27           HG2      PRO  27  -2.977 -11.021   5.536
  173    HG3  PRO  27           HG1      PRO  27  -2.288 -12.185   4.393
  174    HD2  PRO  27           HD2      PRO  27  -2.452  -9.547   3.853
  175    HD3  PRO  27           HD1      PRO  27  -2.579 -10.782   2.592
  176    H    ASP  28           HN       ASP  28  -4.660  -9.058   5.367
  177    HA   ASP  28           HA       ASP  28  -6.902  -9.337   7.257
  178    HB2  ASP  28           HB2      ASP  28  -4.357  -7.703   7.483
  179    HB3  ASP  28           HB1      ASP  28  -5.594  -7.843   8.718
  180    H1   GLY   1           HN       GLY   1   7.114   7.734   2.562
  181    HA2  GLY   1           HA2      GLY   1   7.843   5.869   1.397
  182    HA3  GLY   1           HA1      GLY   1   8.918   5.481   2.740
  183    H    PHE   2           HN       PHE   2   7.951   3.328   2.149
  184    HA   PHE   2           HA       PHE   2   5.801   2.751   3.993
  185    HB2  PHE   2           HB2      PHE   2   4.630   3.252   1.859
  186    HB3  PHE   2           HB1      PHE   2   5.638   2.075   1.035
  187    HD1  PHE   2           HD1      PHE   2   5.026  -0.196   0.973
  188    HD2  PHE   2           HD2      PHE   2   3.051   2.462   3.647
  189    HE1  PHE   2           HE1      PHE   2   3.364  -1.933   1.469
  190    HE2  PHE   2           HE2      PHE   2   1.390   0.728   4.148
  191    HZ   PHE   2           HZ       PHE   2   1.544  -1.477   3.057
  192    H    CYS   3           HN       CYS   3   5.987   0.576   4.710
  193    HA   CYS   3           HA       CYS   3   7.953  -1.034   3.345
  194    HB2  CYS   3           HB2      CYS   3   9.082   0.351   5.141
  195    HB3  CYS   3           HB1      CYS   3   8.085  -0.501   6.312
  196    H    TRP   4           HN       TRP   4   7.382  -3.113   3.344
  197    HA   TRP   4           HA       TRP   4   5.333  -4.028   5.197
  198    HB2  TRP   4           HB2      TRP   4   4.243  -3.058   3.137
  199    HB3  TRP   4           HB1      TRP   4   5.100  -4.241   2.180
  200    HD1  TRP   4           HD1      TRP   4   4.150  -6.697   2.152
  201    HE1  TRP   4           HE1      TRP   4   1.886  -7.708   2.930
  202    HE3  TRP   4          3HE       TRP   4   2.458  -2.813   4.988
  203    HZ2  TRP   4           HZ2      TRP   4  -0.297  -6.939   4.525
  204    HZ3  TRP   4           HZ3      TRP   4   0.276  -3.018   6.101
  205    HH2  TRP   4          2HH       TRP   4  -1.072  -5.036   5.871
  206    H    HIS   5           HN       HIS   5   5.749  -6.111   5.746
  207    HA   HIS   5           HA       HIS   5   6.918  -8.035   6.036
  208    HB2  HIS   5           HB2      HIS   5   7.052  -7.903   3.014
  209    HB3  HIS   5           HB1      HIS   5   7.677  -9.265   3.934
  210    HD1  HIS   5           HD1      HIS   5   5.075  -8.985   1.873
  211    HD2  HIS   5           HD2      HIS   5   5.159  -9.663   5.963
  212    HE1  HIS   5           HE1      HIS   5   2.943 -10.202   2.423
  213    H    HIS   6           HN       HIS   6   8.302  -5.478   6.082
  214    HA   HIS   6           HA       HIS   6  10.277  -4.669   6.588
  215    HB2  HIS   6           HB2      HIS   6  11.266  -7.523   6.386
  216    HB3  HIS   6           HB1      HIS   6  12.269  -6.173   6.911
  217    HD1  HIS   6           HD1      HIS   6  12.217  -5.700   9.404
  218    HD2  HIS   6           HD2      HIS   6   8.933  -7.900   8.123
  219    HE1  HIS   6           HE1      HIS   6  10.921  -6.286  11.472
  220    H    SER   7           HN       SER   7   9.380  -5.353   3.738
  221    HA   SER   7           HA       SER   7  11.855  -4.575   2.409
  222    HB2  SER   7           HB2      SER   7   9.120  -5.295   1.311
  223    HB3  SER   7           HB1      SER   7  10.579  -5.047   0.353
  224    HG   SER   7           HG       SER   7  11.437  -6.795   1.834
  225    H    CYS   8           HN       CYS   8  12.144  -2.378   2.374
  226    HA   CYS   8           HA       CYS   8   9.754  -0.706   2.686
  227    HB2  CYS   8           HB2      CYS   8  12.608   0.035   3.287
  228    HB3  CYS   8           HB1      CYS   8  11.162   0.921   3.730
  229    H    VAL   9           HN       VAL   9   9.328   0.902   1.280
  230    HA   VAL   9           HA       VAL   9  11.254   1.404  -0.858
  231    HB   VAL   9           HB       VAL   9   9.337   2.408  -2.159
  232   HG11  VAL   9          HG11      VAL   9   9.023  -0.459  -1.354
  233   HG12  VAL   9          HG12      VAL   9  10.044   0.162  -2.655
  234   HG13  VAL   9          3HG1      VAL   9   8.286   0.267  -2.782
  235   HG21  VAL   9          HG21      VAL   9   7.822   2.918  -0.309
  236   HG22  VAL   9          HG22      VAL   9   7.632   1.197   0.024
  237   HG23  VAL   9          HG23      VAL   9   7.024   1.873  -1.488
  238    HA   PRO  10           HA       PRO  10  12.098   5.197   1.045
  239    HB2  PRO  10           HB2      PRO  10  13.080   6.629  -1.008
  240    HB3  PRO  10           HB1      PRO  10  13.937   5.247  -0.319
  241    HG2  PRO  10           HG2      PRO  10  12.206   5.349  -2.769
  242    HG3  PRO  10           HG1      PRO  10  13.800   4.600  -2.565
  243    HD2  PRO  10           HD2      PRO  10  11.530   3.163  -2.465
  244    HD3  PRO  10           HD1      PRO  10  12.941   2.766  -1.462
  245    H    SER  11           HN       SER  11  11.650   7.423   1.162
  246    HA   SER  11           HA       SER  11   9.039   8.222   0.885
  247    HB2  SER  11           HB2      SER  11  11.504   9.947   1.055
  248    HB3  SER  11           HB1      SER  11   9.875  10.343   1.618
  249    HG   SER  11           HG       SER  11  10.712   9.616   3.402
  250    H    GLY  12           HN       GLY  12   7.929   9.146  -0.736
  251    HA2  GLY  12           HA2      GLY  12   7.904  10.775  -2.557
  252    HA3  GLY  12           HA1      GLY  12   9.438  10.091  -3.086
  253    H    THR  13           HN       THR  13   8.299   7.396  -2.298
  254    HA   THR  13           HA       THR  13   7.491   6.569  -4.842
  255    HB   THR  13           HB       THR  13   7.133   5.227  -2.154
  256    HG1  THR  13           HG1      THR  13   9.245   5.327  -2.367
  257   HG21  THR  13          HG21      THR  13   7.051   3.122  -3.440
  258   HG22  THR  13          HG22      THR  13   7.112   4.039  -4.945
  259   HG23  THR  13          HG23      THR  13   5.714   4.184  -3.882
  260    H    CYS  14           HN       CYS  14   5.564   6.623  -5.838
  261    HA   CYS  14           HA       CYS  14   3.155   6.947  -4.217
  262    HB2  CYS  14           HB2      CYS  14   3.700   8.036  -7.001
  263    HB3  CYS  14           HB1      CYS  14   2.164   8.146  -6.155
  264    H    ALA  15           HN       ALA  15   1.277   5.861  -5.040
  265    HA   ALA  15           HA       ALA  15   1.592   3.910  -7.132
  266    HB1  ALA  15           HB1      ALA  15   1.039   2.009  -5.607
  267    HB2  ALA  15           HB2      ALA  15   1.255   3.109  -4.233
  268    HB3  ALA  15           HB3      ALA  15   2.615   2.730  -5.271
  269    H    ASP  16           HN       ASP  16  -0.495   2.931  -7.615
  270    HA   ASP  16           HA       ASP  16  -2.703   4.610  -6.692
  271    HB2  ASP  16           HB2      ASP  16  -3.947   3.897  -8.650
  272    HB3  ASP  16           HB1      ASP  16  -2.363   4.455  -9.163
  273    H    PHE  17           HN       PHE  17  -4.465   3.771  -5.730
  274    HA   PHE  17           HA       PHE  17  -4.577   0.890  -5.207
  275    HB2  PHE  17           HB2      PHE  17  -4.850   3.175  -3.235
  276    HB3  PHE  17           HB1      PHE  17  -5.361   1.535  -2.891
  277    HD1  PHE  17           HD1      PHE  17  -3.866  -0.007  -2.045
  278    HD2  PHE  17           HD2      PHE  17  -2.410   3.620  -3.709
  279    HE1  PHE  17           HE1      PHE  17  -1.634  -0.498  -1.157
  280    HE2  PHE  17           HE2      PHE  17  -0.175   3.138  -2.824
  281    HZ   PHE  17           HZ       PHE  17   0.215   1.077  -1.548
  282    HA   PRO  18           HA       PRO  18  -8.950   1.706  -5.941
  283    HB2  PRO  18           HB2      PRO  18  -9.760  -0.125  -3.803
  284    HB3  PRO  18           HB1      PRO  18  -9.950  -0.318  -5.546
  285    HG2  PRO  18           HG2      PRO  18  -8.238  -1.831  -4.094
  286    HG3  PRO  18           HG1      PRO  18  -7.929  -1.388  -5.782
  287    HD2  PRO  18           HD2      PRO  18  -6.815  -0.193  -3.275
  288    HD3  PRO  18           HD1      PRO  18  -5.994  -0.569  -4.806
  289    H    TRP  19           HN       TRP  19 -10.954   2.327  -4.725
  290    HA   TRP  19           HA       TRP  19 -10.458   4.362  -2.825
  291    HB2  TRP  19           HB2      TRP  19 -12.374   4.181  -4.539
  292    HB3  TRP  19           HB1      TRP  19 -13.111   3.016  -3.453
  293    HD1  TRP  19           HD1      TRP  19 -12.243   6.742  -3.701
  294    HE1  TRP  19           HE1      TRP  19 -13.721   8.050  -2.063
  295    HE3  TRP  19          3HE       TRP  19 -14.471   2.813  -1.323
  296    HZ2  TRP  19           HZ2      TRP  19 -15.581   7.496  -0.023
  297    HZ3  TRP  19           HZ3      TRP  19 -16.079   3.289   0.465
  298    HH2  TRP  19          2HH       TRP  19 -16.627   5.587   1.101
  299    HA   PRO  20           HA       PRO  20 -11.460   5.272  -1.101
  300    HB2  PRO  20           HB2      PRO  20 -11.110   5.675   1.609
  301    HB3  PRO  20           HB1      PRO  20 -12.651   5.450   0.793
  302    HG2  PRO  20           HG2      PRO  20 -11.452   3.664   2.663
  303    HG3  PRO  20           HG1      PRO  20 -12.912   3.392   1.705
  304    HD2  PRO  20           HD2      PRO  20 -10.126   2.479   1.210
  305    HD3  PRO  20           HD1      PRO  20 -11.664   1.713   0.764
  306    H    LEU  21           HN       LEU  21  -8.778   3.629  -1.116
  307    HA   LEU  21           HA       LEU  21  -7.086   5.607   0.134
  308    HB2  LEU  21           HB2      LEU  21  -6.471   3.055  -1.332
  309    HB3  LEU  21           HB1      LEU  21  -5.214   4.219  -1.000
  310    HG   LEU  21           HG       LEU  21  -5.068   2.514   0.632
  311   HD11  LEU  21          HD11      LEU  21  -4.632   4.698   1.473
  312   HD12  LEU  21          HD12      LEU  21  -5.391   3.698   2.717
  313   HD13  LEU  21          HD13      LEU  21  -6.335   4.920   1.880
  314   HD21  LEU  21          HD21      LEU  21  -7.268   1.564   0.480
  315   HD22  LEU  21          HD22      LEU  21  -7.960   2.997   1.268
  316   HD23  LEU  21          HD23      LEU  21  -6.861   1.936   2.161
  317    H    GLY  22           HN       GLY  22  -7.411   4.329  -3.143
  318    HA2  GLY  22           HA2      GLY  22  -7.425   5.488  -5.144
  319    HA3  GLY  22           HA1      GLY  22  -7.355   6.987  -4.222
  320    H    HIS  23           HN       HIS  23  -5.736   7.988  -5.288
  321    HA   HIS  23           HA       HIS  23  -3.262   6.626  -5.838
  322    HB2  HIS  23           HB2      HIS  23  -4.057   9.539  -6.093
  323    HB3  HIS  23           HB1      HIS  23  -2.470   8.918  -6.530
  324    HD1  HIS  23           HD1      HIS  23  -5.830   9.480  -7.934
  325    HD2  HIS  23           HD2      HIS  23  -2.585   6.987  -8.685
  326    HE1  HIS  23           HE1      HIS  23  -6.129   8.629 -10.264
  327    H    GLN  24           HN       GLN  24  -1.675   6.387  -4.432
  328    HA   GLN  24           HA       GLN  24  -1.667   8.173  -2.121
  329    HB2  GLN  24           HB2      GLN  24  -1.140   5.244  -2.291
  330    HB3  GLN  24           HB1      GLN  24  -0.473   6.212  -0.991
  331    HG2  GLN  24           HG2      GLN  24  -2.733   6.859  -0.315
  332    HG3  GLN  24           HG1      GLN  24  -3.401   5.858  -1.622
  333   HE21  GLN  24          1HE2      GLN  24  -1.630   5.928   1.295
  334   HE22  GLN  24          2HE2      GLN  24  -1.915   4.276   1.733
  335    H    CYS  25           HN       CYS  25   0.128   9.088  -1.553
  336    HA   CYS  25           HA       CYS  25   2.608   8.262  -2.820
  337    HB2  CYS  25           HB2      CYS  25   1.582  11.041  -2.263
  338    HB3  CYS  25           HB1      CYS  25   3.289  10.685  -2.513
  339    H    PHE  26           HN       PHE  26   4.191   7.832  -1.463
  340    HA   PHE  26           HA       PHE  26   3.546   8.133   1.367
  341    HB2  PHE  26           HB2      PHE  26   5.471   6.273  -0.026
  342    HB3  PHE  26           HB1      PHE  26   5.176   6.289   1.704
  343    HD1  PHE  26           HD1      PHE  26   2.792   5.800   2.501
  344    HD2  PHE  26           HD2      PHE  26   4.136   5.005  -1.460
  345    HE1  PHE  26           HE1      PHE  26   0.928   4.229   2.186
  346    HE2  PHE  26           HE2      PHE  26   2.273   3.433  -1.782
  347    HZ   PHE  26           HZ       PHE  26   0.665   3.043   0.040
  348    HA   PRO  27           HA       PRO  27   6.878  11.317   1.155
  349    HB2  PRO  27           HB2      PRO  27   5.699  12.163   3.703
  350    HB3  PRO  27           HB1      PRO  27   5.904  13.091   2.216
  351    HG2  PRO  27           HG2      PRO  27   3.482  12.318   3.050
  352    HG3  PRO  27           HG1      PRO  27   3.898  12.348   1.326
  353    HD2  PRO  27           HD2      PRO  27   3.822  10.020   3.212
  354    HD3  PRO  27           HD1      PRO  27   3.176  10.155   1.559
  355    H    ASP  28           HN       ASP  28   5.999   9.071   3.607
  356    HA   ASP  28           HA       ASP  28   8.650   9.371   4.862
  357    HB2  ASP  28           HB2      ASP  28   6.164   7.987   5.924
  358    HB3  ASP  28           HB1      ASP  28   7.712   8.064   6.748
  Start of MODEL    6
    1    H1   GLY   1           HN       GLY   1  -5.891  -7.889   4.670
    2    HA2  GLY   1           HA2      GLY   1  -7.212  -6.070   3.929
    3    HA3  GLY   1           HA1      GLY   1  -7.702  -5.787   5.600
    4    H    PHE   2           HN       PHE   2  -7.006  -3.553   4.663
    5    HA   PHE   2           HA       PHE   2  -4.456  -2.960   5.826
    6    HB2  PHE   2           HB2      PHE   2  -3.751  -3.642   3.585
    7    HB3  PHE   2           HB1      PHE   2  -4.934  -2.569   2.861
    8    HD1  PHE   2           HD1      PHE   2  -4.190  -0.555   2.061
    9    HD2  PHE   2           HD2      PHE   2  -2.039  -2.437   5.208
   10    HE1  PHE   2           HE1      PHE   2  -2.501   1.222   1.963
   11    HE2  PHE   2           HE2      PHE   2  -0.346  -0.660   5.117
   12    HZ   PHE   2           HZ       PHE   2  -0.577   1.173   3.490
   13    H    CYS   3           HN       CYS   3  -4.293  -0.684   6.239
   14    HA   CYS   3           HA       CYS   3  -6.430   0.961   5.210
   15    HB2  CYS   3           HB2      CYS   3  -7.136  -0.062   7.429
   16    HB3  CYS   3           HB1      CYS   3  -5.833   0.858   8.172
   17    H    TRP   4           HN       TRP   4  -5.744   2.977   4.786
   18    HA   TRP   4           HA       TRP   4  -3.361   4.029   6.011
   19    HB2  TRP   4           HB2      TRP   4  -2.503   2.668   4.081
   20    HB3  TRP   4           HB1      TRP   4  -3.541   3.593   3.018
   21    HD1  TRP   4           HD1      TRP   4  -2.741   5.976   2.250
   22    HE1  TRP   4           HE1      TRP   4  -0.549   7.280   2.514
   23    HE3  TRP   4          3HE       TRP   4  -0.451   3.023   5.739
   24    HZ2  TRP   4           HZ2      TRP   4   1.844   7.093   3.992
   25    HZ3  TRP   4           HZ3      TRP   4   1.798   3.657   6.516
   26    HH2  TRP   4          2HH       TRP   4   2.918   5.647   5.661
   27    H    HIS   5           HN       HIS   5  -3.454   6.221   6.030
   28    HA   HIS   5           HA       HIS   5  -4.186   8.348   5.798
   29    HB2  HIS   5           HB2      HIS   5  -3.620   7.811   3.372
   30    HB3  HIS   5           HB1      HIS   5  -5.323   7.466   3.122
   31    HD1  HIS   5           HD1      HIS   5  -6.663   9.435   2.306
   32    HD2  HIS   5           HD2      HIS   5  -3.195  10.556   4.270
   33    HE1  HIS   5           HE1      HIS   5  -6.514  11.929   2.062
   34    H    HIS   6           HN       HIS   6  -5.853   6.244   6.950
   35    HA   HIS   6           HA       HIS   6  -7.759   6.043   8.073
   36    HB2  HIS   6           HB2      HIS   6  -8.247   8.864   7.127
   37    HB3  HIS   6           HB1      HIS   6  -9.444   7.997   8.082
   38    HD1  HIS   6           HD1      HIS   6  -9.229   8.430  10.531
   39    HD2  HIS   6           HD2      HIS   6  -5.604   8.839   8.552
   40    HE1  HIS   6           HE1      HIS   6  -7.558   9.134  12.283
   41    H    SER   7           HN       SER   7  -7.446   5.469   5.165
   42    HA   SER   7           HA       SER   7 -10.261   4.855   4.663
   43    HB2  SER   7           HB2      SER   7  -7.950   5.072   2.717
   44    HB3  SER   7           HB1      SER   7  -9.641   4.792   2.298
   45    HG   SER   7           HG       SER   7  -9.897   6.879   3.601
   46    H    CYS   8           HN       CYS   8 -10.686   2.717   4.984
   47    HA   CYS   8           HA       CYS   8  -8.394   0.892   5.042
   48    HB2  CYS   8           HB2      CYS   8 -11.096   0.575   6.355
   49    HB3  CYS   8           HB1      CYS   8  -9.738  -0.523   6.515
   50    H    VAL   9           HN       VAL   9  -8.407  -0.981   3.885
   51    HA   VAL   9           HA       VAL   9 -10.688  -1.471   2.117
   52    HB   VAL   9           HB       VAL   9  -8.981  -2.699   0.633
   53   HG11  VAL   9          HG11      VAL   9  -8.828   0.278   0.937
   54   HG12  VAL   9          HG12      VAL   9  -9.961  -0.627  -0.068
   55   HG13  VAL   9          3HG1      VAL   9  -8.241  -0.613  -0.466
   56   HG21  VAL   9          HG21      VAL   9  -6.645  -1.901   0.788
   57   HG22  VAL   9          HG22      VAL   9  -7.140  -2.813   2.212
   58   HG23  VAL   9          HG23      VAL   9  -7.058  -1.055   2.279
   59    HA   PRO  10           HA       PRO  10 -11.179  -5.358   4.056
   60    HB2  PRO  10           HB2      PRO  10 -12.332  -6.779   2.073
   61    HB3  PRO  10           HB1      PRO  10 -13.175  -5.476   2.921
   62    HG2  PRO  10           HG2      PRO  10 -11.776  -5.418   0.274
   63    HG3  PRO  10           HG1      PRO  10 -13.357  -4.745   0.713
   64    HD2  PRO  10           HD2      PRO  10 -11.138  -3.222   0.562
   65    HD3  PRO  10           HD1      PRO  10 -12.426  -2.899   1.739
   66    H    SER  11           HN       SER  11 -10.709  -7.639   3.892
   67    HA   SER  11           HA       SER  11  -8.055  -8.255   3.282
   68    HB2  SER  11           HB2      SER  11 -10.411 -10.112   3.610
   69    HB3  SER  11           HB1      SER  11  -8.710 -10.477   3.908
   70    HG   SER  11           HG       SER  11  -9.716 -10.026   5.830
   71    H    GLY  12           HN       GLY  12  -7.117  -8.921   1.436
   72    HA2  GLY  12           HA2      GLY  12  -7.197 -10.379  -0.489
   73    HA3  GLY  12           HA1      GLY  12  -8.879  -9.913  -0.706
   74    H    THR  13           HN       THR  13  -7.846  -7.086   0.045
   75    HA   THR  13           HA       THR  13  -7.672  -6.049  -2.541
   76    HB   THR  13           HB       THR  13  -6.679  -4.848   0.059
   77    HG1  THR  13           HG1      THR  13  -8.790  -5.107   0.392
   78   HG21  THR  13          HG21      THR  13  -5.823  -3.638  -1.896
   79   HG22  THR  13          HG22      THR  13  -7.058  -2.677  -1.075
   80   HG23  THR  13          HG23      THR  13  -7.454  -3.542  -2.555
   81    H    CYS  14           HN       CYS  14  -5.940  -5.628  -3.888
   82    HA   CYS  14           HA       CYS  14  -3.268  -6.263  -2.876
   83    HB2  CYS  14           HB2      CYS  14  -4.328  -6.820  -5.657
   84    HB3  CYS  14           HB1      CYS  14  -2.713  -7.188  -5.062
   85    H    ALA  15           HN       ALA  15  -1.541  -5.138  -3.965
   86    HA   ALA  15           HA       ALA  15  -2.259  -2.800  -5.526
   87    HB1  ALA  15           HB1      ALA  15  -1.024  -1.301  -4.034
   88    HB2  ALA  15           HB2      ALA  15  -0.775  -2.640  -2.908
   89    HB3  ALA  15           HB3      ALA  15  -2.399  -2.035  -3.205
   90    H    ASP  16           HN       ASP  16  -0.516  -2.022  -6.753
   91    HA   ASP  16           HA       ASP  16   1.624  -3.996  -6.969
   92    HB2  ASP  16           HB2      ASP  16   0.244  -3.521  -8.991
   93    HB3  ASP  16           HB1      ASP  16   0.825  -1.859  -8.944
   94    H    PHE  17           HN       PHE  17   3.329  -3.451  -5.822
   95    HA   PHE  17           HA       PHE  17   4.080  -0.638  -5.690
   96    HB2  PHE  17           HB2      PHE  17   4.886  -2.982  -3.952
   97    HB3  PHE  17           HB1      PHE  17   5.440  -1.334  -3.755
   98    HD1  PHE  17           HD1      PHE  17   3.803   0.434  -3.164
   99    HD2  PHE  17           HD2      PHE  17   2.839  -3.706  -3.031
  100    HE1  PHE  17           HE1      PHE  17   1.953   0.923  -1.669
  101    HE2  PHE  17           HE2      PHE  17   0.975  -3.231  -1.522
  102    HZ   PHE  17           HZ       PHE  17   0.519  -0.912  -0.831
  103    HA   PRO  18           HA       PRO  18   7.703  -1.760  -7.972
  104    HB2  PRO  18           HB2      PRO  18   9.504   0.064  -7.140
  105    HB3  PRO  18           HB1      PRO  18   8.119   0.500  -8.143
  106    HG2  PRO  18           HG2      PRO  18   8.552   0.909  -5.235
  107    HG3  PRO  18           HG1      PRO  18   7.677   1.919  -6.395
  108    HD2  PRO  18           HD2      PRO  18   6.559   0.123  -4.583
  109    HD3  PRO  18           HD1      PRO  18   5.705   0.823  -5.956
  110    H    TRP  19           HN       TRP  19  10.015  -2.326  -7.711
  111    HA   TRP  19           HA       TRP  19  10.543  -4.224  -5.726
  112    HB2  TRP  19           HB2      TRP  19  11.672  -4.399  -7.820
  113    HB3  TRP  19           HB1      TRP  19  12.290  -2.760  -7.704
  114    HD1  TRP  19           HD1      TRP  19  14.137  -2.380  -6.076
  115    HE1  TRP  19           HE1      TRP  19  16.157  -3.857  -5.207
  116    HE3  TRP  19          3HE       TRP  19  12.192  -6.850  -7.094
  117    HZ2  TRP  19           HZ2      TRP  19  16.705  -6.590  -4.995
  118    HZ3  TRP  19           HZ3      TRP  19  13.445  -8.858  -6.490
  119    HH2  TRP  19          2HH       TRP  19  15.654  -8.747  -5.485
  120    HA   PRO  20           HA       PRO  20  12.015  -5.136  -4.741
  121    HB2  PRO  20           HB2      PRO  20  12.478  -5.537  -1.862
  122    HB3  PRO  20           HB1      PRO  20  13.498  -5.984  -3.238
  123    HG2  PRO  20           HG2      PRO  20  14.227  -4.010  -1.667
  124    HG3  PRO  20           HG1      PRO  20  14.347  -3.942  -3.455
  125    HD2  PRO  20           HD2      PRO  20  12.080  -2.818  -1.763
  126    HD3  PRO  20           HD1      PRO  20  13.142  -1.907  -2.870
  127    H    LEU  21           HN       LEU  21   9.636  -3.473  -3.367
  128    HA   LEU  21           HA       LEU  21   8.438  -5.264  -1.499
  129    HB2  LEU  21           HB2      LEU  21   8.261  -2.770  -1.504
  130    HB3  LEU  21           HB1      LEU  21   7.218  -2.888  -2.901
  131    HG   LEU  21           HG       LEU  21   5.513  -4.016  -1.549
  132   HD11  LEU  21          HD11      LEU  21   5.855  -4.182   0.872
  133   HD12  LEU  21          HD12      LEU  21   7.542  -3.704   0.656
  134   HD13  LEU  21          HD13      LEU  21   6.940  -5.216  -0.041
  135   HD21  LEU  21          HD21      LEU  21   6.606  -1.556  -0.209
  136   HD22  LEU  21          HD22      LEU  21   4.966  -2.195  -0.067
  137   HD23  LEU  21          HD23      LEU  21   5.540  -1.576  -1.615
  138    H    GLY  22           HN       GLY  22   7.512  -4.183  -4.758
  139    HA2  GLY  22           HA2      GLY  22   6.730  -5.483  -6.521
  140    HA3  GLY  22           HA1      GLY  22   6.761  -6.881  -5.460
  141    H    HIS  23           HN       HIS  23   4.723  -7.323  -6.601
  142    HA   HIS  23           HA       HIS  23   2.486  -5.630  -5.890
  143    HB2  HIS  23           HB2      HIS  23   2.752  -6.821  -8.153
  144    HB3  HIS  23           HB1      HIS  23   2.380  -8.310  -7.296
  145    HD1  HIS  23           HD1      HIS  23   0.830  -5.496  -8.990
  146    HD2  HIS  23           HD2      HIS  23  -0.304  -8.261  -6.111
  147    HE1  HIS  23           HE1      HIS  23  -1.712  -5.445  -8.912
  148    H    GLN  24           HN       GLN  24   1.444  -5.907  -4.051
  149    HA   GLN  24           HA       GLN  24   1.624  -8.521  -2.768
  150    HB2  GLN  24           HB2      GLN  24   1.956  -5.821  -1.515
  151    HB3  GLN  24           HB1      GLN  24   1.575  -7.256  -0.580
  152    HG2  GLN  24           HG2      GLN  24   3.624  -8.305  -1.292
  153    HG3  GLN  24           HG1      GLN  24   4.010  -6.915  -2.317
  154   HE21  GLN  24          1HE2      GLN  24   5.406  -8.118  -0.041
  155   HE22  GLN  24          2HE2      GLN  24   5.607  -6.822   1.103
  156    H    CYS  25           HN       CYS  25  -0.033  -9.054  -1.363
  157    HA   CYS  25           HA       CYS  25  -2.501  -7.572  -1.751
  158    HB2  CYS  25           HB2      CYS  25  -2.097 -10.567  -1.574
  159    HB3  CYS  25           HB1      CYS  25  -3.667  -9.764  -1.596
  160    H    PHE  26           HN       PHE  26  -3.774  -7.376   0.015
  161    HA   PHE  26           HA       PHE  26  -2.344  -7.717   2.539
  162    HB2  PHE  26           HB2      PHE  26  -4.799  -6.059   1.944
  163    HB3  PHE  26           HB1      PHE  26  -3.784  -5.972   3.381
  164    HD1  PHE  26           HD1      PHE  26  -1.290  -5.351   2.981
  165    HD2  PHE  26           HD2      PHE  26  -4.390  -4.623   0.163
  166    HE1  PHE  26           HE1      PHE  26   0.104  -3.645   1.892
  167    HE2  PHE  26           HE2      PHE  26  -3.004  -2.919  -0.931
  168    HZ   PHE  26           HZ       PHE  26  -0.750  -2.428  -0.067
  169    HA   PRO  27           HA       PRO  27  -5.150 -11.295   2.881
  170    HB2  PRO  27           HB2      PRO  27  -3.588 -11.761   5.340
  171    HB3  PRO  27           HB1      PRO  27  -3.850 -12.833   3.963
  172    HG2  PRO  27           HG2      PRO  27  -1.488 -11.683   4.356
  173    HG3  PRO  27           HG1      PRO  27  -2.150 -11.876   2.725
  174    HD2  PRO  27           HD2      PRO  27  -2.083  -9.426   4.453
  175    HD3  PRO  27           HD1      PRO  27  -1.743  -9.609   2.716
  176    H    ASP  28           HN       ASP  28  -4.282  -9.271   5.655
  177    HA   ASP  28           HA       ASP  28  -6.852  -9.941   6.886
  178    HB2  ASP  28           HB2      ASP  28  -5.965  -8.963   8.914
  179    HB3  ASP  28           HB1      ASP  28  -4.788 -10.098   8.270
  180    H1   GLY   1           HN       GLY   1   6.836   7.323   2.561
  181    HA2  GLY   1           HA2      GLY   1   7.991   5.608   1.390
  182    HA3  GLY   1           HA1      GLY   1   8.933   5.285   2.853
  183    H    PHE   2           HN       PHE   2   8.029   3.006   2.122
  184    HA   PHE   2           HA       PHE   2   5.804   2.516   3.892
  185    HB2  PHE   2           HB2      PHE   2   4.669   3.046   1.760
  186    HB3  PHE   2           HB1      PHE   2   5.603   1.798   0.953
  187    HD1  PHE   2           HD1      PHE   2   4.706  -0.310   0.749
  188    HD2  PHE   2           HD2      PHE   2   3.218   2.270   3.770
  189    HE1  PHE   2           HE1      PHE   2   2.966  -1.964   1.294
  190    HE2  PHE   2           HE2      PHE   2   1.478   0.630   4.325
  191    HZ   PHE   2           HZ       PHE   2   1.349  -1.493   3.085
  192    H    CYS   3           HN       CYS   3   5.704   0.381   4.600
  193    HA   CYS   3           HA       CYS   3   7.704  -1.471   3.572
  194    HB2  CYS   3           HB2      CYS   3   7.351  -0.697   6.481
  195    HB3  CYS   3           HB1      CYS   3   8.331  -2.039   5.913
  196    H    TRP   4           HN       TRP   4   6.923  -3.510   3.457
  197    HA   TRP   4           HA       TRP   4   4.812  -4.357   5.203
  198    HB2  TRP   4           HB2      TRP   4   3.603  -3.273   3.298
  199    HB3  TRP   4           HB1      TRP   4   4.366  -4.407   2.200
  200    HD1  TRP   4           HD1      TRP   4   3.415  -6.938   2.205
  201    HE1  TRP   4           HE1      TRP   4   1.229  -7.940   3.084
  202    HE3  TRP   4          3HE       TRP   4   1.889  -3.076   5.186
  203    HZ2  TRP   4           HZ2      TRP   4  -0.873  -7.208   4.811
  204    HZ3  TRP   4           HZ3      TRP   4  -0.228  -3.311   6.414
  205    HH2  TRP   4          2HH       TRP   4  -1.576  -5.336   6.224
  206    H    HIS   5           HN       HIS   5   5.216  -6.305   5.774
  207    HA   HIS   5           HA       HIS   5   6.235  -8.239   6.107
  208    HB2  HIS   5           HB2      HIS   5   4.544  -8.843   4.312
  209    HB3  HIS   5           HB1      HIS   5   5.850  -8.737   3.143
  210    HD1  HIS   5           HD1      HIS   5   6.461 -11.104   2.523
  211    HD2  HIS   5           HD2      HIS   5   5.709 -10.690   6.583
  212    HE1  HIS   5           HE1      HIS   5   6.908 -13.352   3.545
  213    H    HIS   6           HN       HIS   6   8.056  -6.675   6.355
  214    HA   HIS   6           HA       HIS   6  10.288  -6.410   6.499
  215    HB2  HIS   6           HB2      HIS   6  10.319  -9.121   5.169
  216    HB3  HIS   6           HB1      HIS   6  11.786  -8.296   5.665
  217    HD1  HIS   6           HD1      HIS   6  12.605  -9.396   7.764
  218    HD2  HIS   6           HD2      HIS   6   8.459  -9.063   7.675
  219    HE1  HIS   6           HE1      HIS   6  11.783 -10.335   9.945
  220    H    SER   7           HN       SER   7   8.765  -5.755   3.825
  221    HA   SER   7           HA       SER   7  11.224  -5.211   2.306
  222    HB2  SER   7           HB2      SER   7   8.448  -5.669   1.219
  223    HB3  SER   7           HB1      SER   7   9.918  -5.456   0.264
  224    HG   SER   7           HG       SER   7   9.450  -7.521   2.139
  225    H    CYS   8           HN       CYS   8  11.565  -3.067   1.833
  226    HA   CYS   8           HA       CYS   8   9.348  -1.219   2.384
  227    HB2  CYS   8           HB2      CYS   8  12.277  -0.851   3.021
  228    HB3  CYS   8           HB1      CYS   8  11.061   0.411   3.154
  229    H    VAL   9           HN       VAL   9   9.205   0.622   1.181
  230    HA   VAL   9           HA       VAL   9  10.957   0.823  -1.152
  231    HB   VAL   9           HB       VAL   9   9.076   2.013  -2.341
  232   HG11  VAL   9          HG11      VAL   9   8.513  -0.801  -1.489
  233   HG12  VAL   9          HG12      VAL   9   9.536  -0.301  -2.840
  234   HG13  VAL   9          3HG1      VAL   9   7.795  -0.005  -2.887
  235   HG21  VAL   9          HG21      VAL   9   7.749   2.676  -0.400
  236   HG22  VAL   9          HG22      VAL   9   7.407   0.981  -0.047
  237   HG23  VAL   9          HG23      VAL   9   6.776   1.719  -1.520
  238    HA   PRO  10           HA       PRO  10  12.345   4.630   0.366
  239    HB2  PRO  10           HB2      PRO  10  12.570   6.102  -1.941
  240    HB3  PRO  10           HB1      PRO  10  13.732   4.887  -1.403
  241    HG2  PRO  10           HG2      PRO  10  11.484   4.608  -3.362
  242    HG3  PRO  10           HG1      PRO  10  13.147   4.006  -3.482
  243    HD2  PRO  10           HD2      PRO  10  11.157   2.385  -2.800
  244    HD3  PRO  10           HD1      PRO  10  12.744   2.251  -2.014
  245    H    SER  11           HN       SER  11  11.798   6.711   0.878
  246    HA   SER  11           HA       SER  11   9.092   7.424   1.009
  247    HB2  SER  11           HB2      SER  11  11.541   9.150   1.348
  248    HB3  SER  11           HB1      SER  11   9.958   9.372   2.101
  249    HG   SER  11           HG       SER  11  10.280   7.529   3.312
  250    H    GLY  12           HN       GLY  12   7.856   8.456  -0.472
  251    HA2  GLY  12           HA2      GLY  12   7.656  10.297  -2.033
  252    HA3  GLY  12           HA1      GLY  12   9.235   9.844  -2.669
  253    H    THR  13           HN       THR  13   8.034   6.964  -2.086
  254    HA   THR  13           HA       THR  13   7.262   6.429  -4.759
  255    HB   THR  13           HB       THR  13   6.889   4.734  -2.267
  256    HG1  THR  13           HG1      THR  13   9.030   4.983  -2.476
  257   HG21  THR  13          HG21      THR  13   5.496   3.964  -4.144
  258   HG22  THR  13          HG22      THR  13   6.813   2.830  -3.838
  259   HG23  THR  13          HG23      THR  13   6.911   3.949  -5.194
  260    H    CYS  14           HN       CYS  14   5.307   6.753  -5.639
  261    HA   CYS  14           HA       CYS  14   3.062   7.079  -3.838
  262    HB2  CYS  14           HB2      CYS  14   3.306   7.918  -6.739
  263    HB3  CYS  14           HB1      CYS  14   1.962   8.291  -5.671
  264    H    ALA  15           HN       ALA  15   1.145   5.754  -4.149
  265    HA   ALA  15           HA       ALA  15   1.475   3.671  -6.161
  266    HB1  ALA  15           HB1      ALA  15   0.839   1.964  -4.568
  267    HB2  ALA  15           HB2      ALA  15   0.738   3.172  -3.288
  268    HB3  ALA  15           HB3      ALA  15   2.295   2.801  -4.032
  269    H    ASP  16           HN       ASP  16  -0.322   2.851  -6.998
  270    HA   ASP  16           HA       ASP  16  -2.781   4.337  -6.610
  271    HB2  ASP  16           HB2      ASP  16  -2.149   3.916  -8.897
  272    HB3  ASP  16           HB1      ASP  16  -1.946   2.199  -8.581
  273    H    PHE  17           HN       PHE  17  -4.338   3.632  -5.287
  274    HA   PHE  17           HA       PHE  17  -4.494   0.768  -4.692
  275    HB2  PHE  17           HB2      PHE  17  -5.021   3.169  -2.948
  276    HB3  PHE  17           HB1      PHE  17  -5.653   1.579  -2.568
  277    HD1  PHE  17           HD1      PHE  17  -4.138  -0.225  -1.999
  278    HD2  PHE  17           HD2      PHE  17  -2.784   3.755  -2.554
  279    HE1  PHE  17           HE1      PHE  17  -2.099  -0.774  -0.790
  280    HE2  PHE  17           HE2      PHE  17  -0.714   3.225  -1.346
  281    HZ   PHE  17           HZ       PHE  17  -0.373   0.935  -0.448
  282    HA   PRO  18           HA       PRO  18  -8.702   1.229  -6.052
  283    HB2  PRO  18           HB2      PRO  18  -9.953  -0.648  -4.524
  284    HB3  PRO  18           HB1      PRO  18  -8.958  -1.072  -5.919
  285    HG2  PRO  18           HG2      PRO  18  -8.303  -1.178  -3.018
  286    HG3  PRO  18           HG1      PRO  18  -7.839  -2.284  -4.321
  287    HD2  PRO  18           HD2      PRO  18  -6.196  -0.371  -3.261
  288    HD3  PRO  18           HD1      PRO  18  -6.007  -1.017  -4.894
  289    H    TRP  19           HN       TRP  19 -10.900   1.600  -5.061
  290    HA   TRP  19           HA       TRP  19 -10.850   3.691  -3.198
  291    HB2  TRP  19           HB2      TRP  19 -12.656   3.216  -4.922
  292    HB3  TRP  19           HB1      TRP  19 -13.204   1.896  -3.900
  293    HD1  TRP  19           HD1      TRP  19 -12.982   5.723  -3.959
  294    HE1  TRP  19           HE1      TRP  19 -14.695   6.670  -2.313
  295    HE3  TRP  19          3HE       TRP  19 -14.589   1.364  -1.889
  296    HZ2  TRP  19           HZ2      TRP  19 -16.516   5.702  -0.403
  297    HZ3  TRP  19           HZ3      TRP  19 -16.332   1.451  -0.152
  298    HH2  TRP  19          2HH       TRP  19 -17.271   3.582   0.578
  299    HA   PRO  20           HA       PRO  20 -11.988   4.524  -1.581
  300    HB2  PRO  20           HB2      PRO  20 -11.933   5.271   0.989
  301    HB3  PRO  20           HB1      PRO  20 -13.293   4.420   0.258
  302    HG2  PRO  20           HG2      PRO  20 -11.327   3.441   2.207
  303    HG3  PRO  20           HG1      PRO  20 -12.914   2.792   1.780
  304    HD2  PRO  20           HD2      PRO  20 -10.299   1.936   0.862
  305    HD3  PRO  20           HD1      PRO  20 -11.877   1.185   0.565
  306    H    LEU  21           HN       LEU  21  -9.012   3.242  -1.038
  307    HA   LEU  21           HA       LEU  21  -7.738   5.545   0.122
  308    HB2  LEU  21           HB2      LEU  21  -6.593   3.116  -1.224
  309    HB3  LEU  21           HB1      LEU  21  -5.581   4.472  -0.801
  310    HG   LEU  21           HG       LEU  21  -6.276   4.121   1.582
  311   HD11  LEU  21          HD11      LEU  21  -7.334   1.550   0.479
  312   HD12  LEU  21          HD12      LEU  21  -8.294   2.842   1.220
  313   HD13  LEU  21          HD13      LEU  21  -7.128   1.928   2.190
  314   HD21  LEU  21          HD21      LEU  21  -4.779   2.215   1.919
  315   HD22  LEU  21          HD22      LEU  21  -4.130   3.400   0.786
  316   HD23  LEU  21          HD23      LEU  21  -4.825   1.894   0.186
  317    H    GLY  22           HN       GLY  22  -7.861   4.195  -3.123
  318    HA2  GLY  22           HA2      GLY  22  -7.731   5.294  -5.154
  319    HA3  GLY  22           HA1      GLY  22  -7.687   6.828  -4.276
  320    H    HIS  23           HN       HIS  23  -5.897   7.670  -5.411
  321    HA   HIS  23           HA       HIS  23  -3.490   6.071  -5.383
  322    HB2  HIS  23           HB2      HIS  23  -4.173   7.651  -7.310
  323    HB3  HIS  23           HB1      HIS  23  -3.668   8.958  -6.248
  324    HD1  HIS  23           HD1      HIS  23  -2.368   6.718  -8.775
  325    HD2  HIS  23           HD2      HIS  23  -0.845   8.651  -5.433
  326    HE1  HIS  23           HE1      HIS  23   0.139   6.652  -9.008
  327    H    GLN  24           HN       GLN  24  -2.263   6.016  -3.668
  328    HA   GLN  24           HA       GLN  24  -2.201   8.349  -1.902
  329    HB2  GLN  24           HB2      GLN  24  -2.118   5.419  -1.186
  330    HB3  GLN  24           HB1      GLN  24  -1.652   6.695  -0.071
  331    HG2  GLN  24           HG2      GLN  24  -4.359   6.376  -1.342
  332    HG3  GLN  24           HG1      GLN  24  -3.940   5.956   0.322
  333   HE21  GLN  24          1HE2      GLN  24  -5.887   7.879  -0.707
  334   HE22  GLN  24          2HE2      GLN  24  -5.445   9.399  -0.011
  335    H    CYS  25           HN       CYS  25  -0.257   9.172  -1.512
  336    HA   CYS  25           HA       CYS  25   1.922   7.599  -2.555
  337    HB2  CYS  25           HB2      CYS  25   1.510   9.827  -3.646
  338    HB3  CYS  25           HB1      CYS  25   1.894  10.591  -2.106
  339    H    PHE  26           HN       PHE  26   3.872   7.471  -1.335
  340    HA   PHE  26           HA       PHE  26   3.322   7.730   1.533
  341    HB2  PHE  26           HB2      PHE  26   5.338   5.965   0.149
  342    HB3  PHE  26           HB1      PHE  26   4.911   5.944   1.852
  343    HD1  PHE  26           HD1      PHE  26   2.507   5.327   2.441
  344    HD2  PHE  26           HD2      PHE  26   4.255   4.613  -1.359
  345    HE1  PHE  26           HE1      PHE  26   0.805   3.621   1.982
  346    HE2  PHE  26           HE2      PHE  26   2.564   2.916  -1.828
  347    HZ   PHE  26           HZ       PHE  26   0.832   2.415  -0.153
  348    HA   PRO  27           HA       PRO  27   6.636  10.840   0.872
  349    HB2  PRO  27           HB2      PRO  27   5.659  11.958   3.394
  350    HB3  PRO  27           HB1      PRO  27   5.726  12.718   1.803
  351    HG2  PRO  27           HG2      PRO  27   3.389  12.029   2.980
  352    HG3  PRO  27           HG1      PRO  27   3.619  12.003   1.224
  353    HD2  PRO  27           HD2      PRO  27   3.653   9.736   3.174
  354    HD3  PRO  27           HD1      PRO  27   2.937   9.822   1.548
  355    H    ASP  28           HN       ASP  28   5.672   8.993   3.596
  356    HA   ASP  28           HA       ASP  28   8.156   9.223   5.061
  357    HB2  ASP  28           HB2      ASP  28   5.741   7.434   5.433
  358    HB3  ASP  28           HB1      ASP  28   7.108   7.511   6.531
  Start of MODEL    7
    1    H1   GLY   1           HN       GLY   1  -6.256  -7.452   4.174
    2    HA2  GLY   1           HA2      GLY   1  -7.162  -5.608   3.110
    3    HA3  GLY   1           HA1      GLY   1  -7.839  -5.081   4.648
    4    H    PHE   2           HN       PHE   2  -6.752  -3.197   3.172
    5    HA   PHE   2           HA       PHE   2  -4.202  -2.720   4.538
    6    HB2  PHE   2           HB2      PHE   2  -3.713  -3.133   2.170
    7    HB3  PHE   2           HB1      PHE   2  -4.853  -1.884   1.698
    8    HD1  PHE   2           HD1      PHE   2  -3.983   0.171   1.139
    9    HD2  PHE   2           HD2      PHE   2  -1.844  -2.277   3.877
   10    HE1  PHE   2           HE1      PHE   2  -2.181   1.840   1.216
   11    HE2  PHE   2           HE2      PHE   2  -0.038  -0.613   3.959
   12    HZ   PHE   2           HZ       PHE   2  -0.203   1.449   2.628
   13    H    CYS   3           HN       CYS   3  -4.157  -0.984   5.699
   14    HA   CYS   3           HA       CYS   3  -6.270   0.989   5.317
   15    HB2  CYS   3           HB2      CYS   3  -4.964   0.075   7.878
   16    HB3  CYS   3           HB1      CYS   3  -6.147   1.369   7.743
   17    H    TRP   4           HN       TRP   4  -5.611   2.931   4.917
   18    HA   TRP   4           HA       TRP   4  -3.211   3.989   6.010
   19    HB2  TRP   4           HB2      TRP   4  -2.455   2.764   3.934
   20    HB3  TRP   4           HB1      TRP   4  -3.516   3.797   2.993
   21    HD1  TRP   4           HD1      TRP   4  -2.670   6.305   2.550
   22    HE1  TRP   4           HE1      TRP   4  -0.401   7.453   2.842
   23    HE3  TRP   4          3HE       TRP   4  -0.370   2.773   5.444
   24    HZ2  TRP   4           HZ2      TRP   4   2.065   6.928   4.148
   25    HZ3  TRP   4           HZ3      TRP   4   1.947   3.172   6.169
   26    HH2  TRP   4          2HH       TRP   4   3.135   5.204   5.532
   27    H    HIS   5           HN       HIS   5  -3.455   6.200   6.143
   28    HA   HIS   5           HA       HIS   5  -4.431   8.247   6.108
   29    HB2  HIS   5           HB2      HIS   5  -4.136   7.952   3.605
   30    HB3  HIS   5           HB1      HIS   5  -5.766   7.307   3.531
   31    HD1  HIS   5           HD1      HIS   5  -7.195   9.071   2.450
   32    HD2  HIS   5           HD2      HIS   5  -4.433  10.666   5.107
   33    HE1  HIS   5           HE1      HIS   5  -7.584  11.553   2.444
   34    H    HIS   6           HN       HIS   6  -5.661   5.835   7.284
   35    HA   HIS   6           HA       HIS   6  -7.318   5.319   8.652
   36    HB2  HIS   6           HB2      HIS   6  -8.470   8.051   8.013
   37    HB3  HIS   6           HB1      HIS   6  -9.143   6.956   9.214
   38    HD1  HIS   6           HD1      HIS   6  -7.786   6.685  11.449
   39    HD2  HIS   6           HD2      HIS   6  -6.159   9.385   8.751
   40    HE1  HIS   6           HE1      HIS   6  -6.031   7.964  12.723
   41    H    SER   7           HN       SER   7  -7.491   5.193   5.559
   42    HA   SER   7           HA       SER   7 -10.258   4.240   5.498
   43    HB2  SER   7           HB2      SER   7  -8.405   5.165   3.306
   44    HB3  SER   7           HB1      SER   7 -10.020   4.543   2.995
   45    HG   SER   7           HG       SER   7 -10.018   6.462   4.906
   46    H    CYS   8           HN       CYS   8 -10.573   2.105   4.542
   47    HA   CYS   8           HA       CYS   8  -8.087   0.549   4.293
   48    HB2  CYS   8           HB2      CYS   8 -10.576  -0.333   5.741
   49    HB3  CYS   8           HB1      CYS   8  -9.127  -1.293   5.495
   50    H    VAL   9           HN       VAL   9  -8.057  -0.804   2.631
   51    HA   VAL   9           HA       VAL   9 -10.517  -1.213   1.145
   52    HB   VAL   9           HB       VAL   9  -9.109  -2.506  -0.511
   53   HG11  VAL   9          HG11      VAL   9  -7.949  -0.581  -1.448
   54   HG12  VAL   9          HG12      VAL   9  -8.127   0.259   0.091
   55   HG13  VAL   9          3HG1      VAL   9  -9.558  -0.143  -0.862
   56   HG21  VAL   9          HG21      VAL   9  -6.818  -1.569   1.209
   57   HG22  VAL   9          HG22      VAL   9  -6.658  -2.348  -0.368
   58   HG23  VAL   9          HG23      VAL   9  -7.332  -3.242   0.997
   59    HA   PRO  10           HA       PRO  10 -11.592  -4.892   3.203
   60    HB2  PRO  10           HB2      PRO  10 -12.215  -6.177   0.615
   61    HB3  PRO  10           HB1      PRO  10 -13.274  -5.844   1.989
   62    HG2  PRO  10           HG2      PRO  10 -13.462  -4.425  -0.254
   63    HG3  PRO  10           HG1      PRO  10 -13.657  -3.664   1.334
   64    HD2  PRO  10           HD2      PRO  10 -11.294  -3.642  -0.499
   65    HD3  PRO  10           HD1      PRO  10 -11.992  -2.320   0.460
   66    H    SER  11           HN       SER  11 -10.990  -6.996   3.675
   67    HA   SER  11           HA       SER  11  -8.396  -7.792   3.075
   68    HB2  SER  11           HB2      SER  11 -10.707  -9.420   4.138
   69    HB3  SER  11           HB1      SER  11  -8.984  -9.712   4.404
   70    HG   SER  11           HG       SER  11 -10.177  -8.593   6.109
   71    H    GLY  12           HN       GLY  12  -7.636  -8.951   1.384
   72    HA2  GLY  12           HA2      GLY  12  -7.940 -10.867  -0.101
   73    HA3  GLY  12           HA1      GLY  12  -9.592 -10.307  -0.355
   74    H    THR  13           HN       THR  13  -8.291  -7.517  -0.229
   75    HA   THR  13           HA       THR  13  -8.128  -7.114  -3.040
   76    HB   THR  13           HB       THR  13  -7.297  -5.234  -0.810
   77    HG1  THR  13           HG1      THR  13  -9.363  -5.559  -0.377
   78   HG21  THR  13          HG21      THR  13  -6.550  -4.548  -3.055
   79   HG22  THR  13          HG22      THR  13  -7.794  -3.470  -2.423
   80   HG23  THR  13          HG23      THR  13  -8.210  -4.675  -3.642
   81    H    CYS  14           HN       CYS  14  -6.340  -7.327  -4.300
   82    HA   CYS  14           HA       CYS  14  -3.795  -7.497  -2.942
   83    HB2  CYS  14           HB2      CYS  14  -4.508  -8.351  -5.762
   84    HB3  CYS  14           HB1      CYS  14  -2.966  -8.615  -4.959
   85    H    ALA  15           HN       ALA  15  -1.953  -6.302  -3.856
   86    HA   ALA  15           HA       ALA  15  -2.551  -4.137  -5.675
   87    HB1  ALA  15           HB1      ALA  15  -1.754  -3.654  -2.821
   88    HB2  ALA  15           HB2      ALA  15  -3.315  -3.229  -3.533
   89    HB3  ALA  15           HB3      ALA  15  -1.836  -2.419  -4.069
   90    H    ASP  16           HN       ASP  16  -0.705  -3.574  -6.736
   91    HA   ASP  16           HA       ASP  16   1.708  -4.964  -5.873
   92    HB2  ASP  16           HB2      ASP  16   2.600  -4.713  -8.084
   93    HB3  ASP  16           HB1      ASP  16   0.943  -5.269  -8.249
   94    H    PHE  17           HN       PHE  17   3.612  -4.019  -5.589
   95    HA   PHE  17           HA       PHE  17   3.725  -1.095  -5.350
   96    HB2  PHE  17           HB2      PHE  17   4.665  -3.217  -3.403
   97    HB3  PHE  17           HB1      PHE  17   5.206  -1.550  -3.329
   98    HD1  PHE  17           HD1      PHE  17   3.865   0.109  -2.343
   99    HD2  PHE  17           HD2      PHE  17   2.310  -3.796  -2.961
  100    HE1  PHE  17           HE1      PHE  17   1.964   0.645  -0.894
  101    HE2  PHE  17           HE2      PHE  17   0.397  -3.268  -1.523
  102    HZ   PHE  17           HZ       PHE  17   0.222  -1.034  -0.483
  103    HA   PRO  18           HA       PRO  18   7.679  -1.647  -7.455
  104    HB2  PRO  18           HB2      PRO  18   8.900   0.116  -5.406
  105    HB3  PRO  18           HB1      PRO  18   8.866   0.312  -7.162
  106    HG2  PRO  18           HG2      PRO  18   7.356   1.853  -5.633
  107    HG3  PRO  18           HG1      PRO  18   6.703   1.186  -7.141
  108    HD2  PRO  18           HD2      PRO  18   6.276   0.248  -4.326
  109    HD3  PRO  18           HD1      PRO  18   5.090   0.466  -5.633
  110    H    TRP  19           HN       TRP  19   9.950  -2.278  -7.016
  111    HA   TRP  19           HA       TRP  19  10.282  -4.447  -5.259
  112    HB2  TRP  19           HB2      TRP  19  11.617  -4.374  -7.223
  113    HB3  TRP  19           HB1      TRP  19  12.144  -2.733  -6.898
  114    HD1  TRP  19           HD1      TRP  19  13.811  -2.449  -5.046
  115    HE1  TRP  19           HE1      TRP  19  15.839  -3.886  -4.207
  116    HE3  TRP  19          3HE       TRP  19  12.241  -6.859  -6.765
  117    HZ2  TRP  19           HZ2      TRP  19  16.556  -6.613  -4.284
  118    HZ3  TRP  19           HZ3      TRP  19  13.577  -8.852  -6.311
  119    HH2  TRP  19          2HH       TRP  19  15.690  -8.746  -5.119
  120    HA   PRO  20           HA       PRO  20  11.827  -5.458  -4.232
  121    HB2  PRO  20           HB2      PRO  20  11.896  -6.122  -1.362
  122    HB3  PRO  20           HB1      PRO  20  13.094  -6.448  -2.624
  123    HG2  PRO  20           HG2      PRO  20  13.609  -4.605  -0.848
  124    HG3  PRO  20           HG1      PRO  20  13.889  -4.362  -2.602
  125    HD2  PRO  20           HD2      PRO  20  11.439  -3.458  -1.037
  126    HD3  PRO  20           HD1      PRO  20  12.575  -2.423  -1.944
  127    H    LEU  21           HN       LEU  21   9.063  -4.183  -3.311
  128    HA   LEU  21           HA       LEU  21   7.805  -6.404  -1.981
  129    HB2  LEU  21           HB2      LEU  21   6.688  -3.826  -3.069
  130    HB3  LEU  21           HB1      LEU  21   5.667  -5.081  -2.409
  131    HG   LEU  21           HG       LEU  21   5.912  -3.382  -0.775
  132   HD11  LEU  21          HD11      LEU  21   6.929  -4.570   1.095
  133   HD12  LEU  21          HD12      LEU  21   7.598  -5.740  -0.037
  134   HD13  LEU  21          HD13      LEU  21   5.849  -5.571   0.127
  135   HD21  LEU  21          HD21      LEU  21   8.905  -3.680  -1.010
  136   HD22  LEU  21          HD22      LEU  21   8.049  -2.640   0.136
  137   HD23  LEU  21          HD23      LEU  21   7.944  -2.325  -1.597
  138    H    GLY  22           HN       GLY  22   6.925  -4.762  -4.998
  139    HA2  GLY  22           HA2      GLY  22   6.415  -5.763  -7.041
  140    HA3  GLY  22           HA1      GLY  22   6.653  -7.347  -6.291
  141    H    HIS  23           HN       HIS  23   4.687  -8.222  -6.928
  142    HA   HIS  23           HA       HIS  23   2.301  -6.784  -6.251
  143    HB2  HIS  23           HB2      HIS  23   1.037  -8.767  -7.103
  144    HB3  HIS  23           HB1      HIS  23   2.175  -8.126  -8.262
  145    HD1  HIS  23           HD1      HIS  23   4.079  -9.705  -9.033
  146    HD2  HIS  23           HD2      HIS  23   1.631 -11.333  -6.099
  147    HE1  HIS  23           HE1      HIS  23   4.637 -12.148  -8.936
  148    H    GLN  24           HN       GLN  24   1.357  -6.706  -4.372
  149    HA   GLN  24           HA       GLN  24   1.902  -8.814  -2.399
  150    HB2  GLN  24           HB2      GLN  24   1.317  -5.867  -1.991
  151    HB3  GLN  24           HB1      GLN  24   1.497  -7.038  -0.700
  152    HG2  GLN  24           HG2      GLN  24   3.652  -6.252  -2.657
  153    HG3  GLN  24           HG1      GLN  24   3.491  -5.632  -1.016
  154   HE21  GLN  24          1HE2      GLN  24   2.698  -8.227   0.088
  155   HE22  GLN  24          2HE2      GLN  24   4.095  -9.211   0.089
  156    H    CYS  25           HN       CYS  25   0.020  -9.111  -0.872
  157    HA   CYS  25           HA       CYS  25  -2.417  -7.998  -1.879
  158    HB2  CYS  25           HB2      CYS  25  -2.083 -10.269  -2.966
  159    HB3  CYS  25           HB1      CYS  25  -2.220 -10.977  -1.358
  160    H    PHE  26           HN       PHE  26  -4.075  -7.877  -0.281
  161    HA   PHE  26           HA       PHE  26  -2.857  -8.053   2.368
  162    HB2  PHE  26           HB2      PHE  26  -4.925  -6.132   1.330
  163    HB3  PHE  26           HB1      PHE  26  -4.320  -6.162   2.980
  164    HD1  PHE  26           HD1      PHE  26  -1.784  -5.878   3.283
  165    HD2  PHE  26           HD2      PHE  26  -3.864  -4.853  -0.280
  166    HE1  PHE  26           HE1      PHE  26   0.062  -4.402   2.637
  167    HE2  PHE  26           HE2      PHE  26  -2.021  -3.369  -0.927
  168    HZ   PHE  26           HZ       PHE  26  -0.048  -3.148   0.534
  169    HA   PRO  27           HA       PRO  27  -6.302 -10.991   2.885
  170    HB2  PRO  27           HB2      PRO  27  -5.180 -12.393   4.887
  171    HB3  PRO  27           HB1      PRO  27  -4.683 -12.612   3.207
  172    HG2  PRO  27           HG2      PRO  27  -3.370 -11.015   5.366
  173    HG3  PRO  27           HG1      PRO  27  -2.632 -12.113   4.186
  174    HD2  PRO  27           HD2      PRO  27  -2.647  -9.415   3.908
  175    HD3  PRO  27           HD1      PRO  27  -2.646 -10.522   2.523
  176    H    ASP  28           HN       ASP  28  -4.893  -8.697   4.984
  177    HA   ASP  28           HA       ASP  28  -7.172  -8.909   6.849
  178    HB2  ASP  28           HB2      ASP  28  -4.860  -9.199   7.837
  179    HB3  ASP  28           HB1      ASP  28  -4.478  -7.575   7.294
  180    H1   GLY   1           HN       GLY   1   7.438   7.465   2.503
  181    HA2  GLY   1           HA2      GLY   1   8.082   5.616   1.248
  182    HA3  GLY   1           HA1      GLY   1   9.309   5.250   2.457
  183    H    PHE   2           HN       PHE   2   8.236   3.074   1.952
  184    HA   PHE   2           HA       PHE   2   6.216   2.626   4.002
  185    HB2  PHE   2           HB2      PHE   2   4.908   3.011   1.976
  186    HB3  PHE   2           HB1      PHE   2   5.866   1.836   1.099
  187    HD1  PHE   2           HD1      PHE   2   5.028  -0.295   0.852
  188    HD2  PHE   2           HD2      PHE   2   3.692   2.088   4.119
  189    HE1  PHE   2           HE1      PHE   2   3.407  -2.033   1.451
  190    HE2  PHE   2           HE2      PHE   2   2.070   0.343   4.728
  191    HZ   PHE   2           HZ       PHE   2   1.926  -1.722   3.391
  192    H    CYS   3           HN       CYS   3   6.400   0.653   4.939
  193    HA   CYS   3           HA       CYS   3   8.364  -1.179   3.808
  194    HB2  CYS   3           HB2      CYS   3   8.013  -0.419   6.714
  195    HB3  CYS   3           HB1      CYS   3   9.054  -1.705   6.116
  196    H    TRP   4           HN       TRP   4   7.664  -3.160   3.642
  197    HA   TRP   4           HA       TRP   4   5.539  -4.147   5.342
  198    HB2  TRP   4           HB2      TRP   4   4.436  -3.110   3.379
  199    HB3  TRP   4           HB1      TRP   4   5.382  -4.112   2.305
  200    HD1  TRP   4           HD1      TRP   4   4.475  -6.588   1.899
  201    HE1  TRP   4           HE1      TRP   4   2.291  -7.791   2.578
  202    HE3  TRP   4          3HE       TRP   4   2.721  -3.239   5.338
  203    HZ2  TRP   4           HZ2      TRP   4   0.140  -7.383   4.331
  204    HZ3  TRP   4           HZ3      TRP   4   0.591  -3.718   6.467
  205    HH2  TRP   4          2HH       TRP   4  -0.670  -5.744   5.970
  206    H    HIS   5           HN       HIS   5   6.186  -6.113   5.983
  207    HA   HIS   5           HA       HIS   5   7.332  -8.040   6.181
  208    HB2  HIS   5           HB2      HIS   5   7.137  -8.008   3.156
  209    HB3  HIS   5           HB1      HIS   5   7.781  -9.372   4.063
  210    HD1  HIS   5           HD1      HIS   5   5.202  -9.610   2.287
  211    HD2  HIS   5           HD2      HIS   5   5.261  -8.941   6.386
  212    HE1  HIS   5           HE1      HIS   5   2.959 -10.373   3.162
  213    H    HIS   6           HN       HIS   6   8.718  -5.641   6.221
  214    HA   HIS   6           HA       HIS   6  10.757  -4.897   6.628
  215    HB2  HIS   6           HB2      HIS   6  11.733  -7.694   5.987
  216    HB3  HIS   6           HB1      HIS   6  12.732  -6.415   6.676
  217    HD1  HIS   6           HD1      HIS   6  12.244  -5.772   9.209
  218    HD2  HIS   6           HD2      HIS   6   9.990  -8.932   7.724
  219    HE1  HIS   6           HE1      HIS   6  11.087  -6.803  11.181
  220    H    SER   7           HN       SER   7   9.624  -5.407   3.762
  221    HA   SER   7           HA       SER   7  12.012  -4.568   2.337
  222    HB2  SER   7           HB2      SER   7   9.235  -5.197   1.326
  223    HB3  SER   7           HB1      SER   7  10.697  -5.009   0.351
  224    HG   SER   7           HG       SER   7  11.163  -6.815   2.245
  225    H    CYS   8           HN       CYS   8  12.250  -2.409   1.935
  226    HA   CYS   8           HA       CYS   8   9.916  -0.708   2.467
  227    HB2  CYS   8           HB2      CYS   8  12.817  -0.133   3.056
  228    HB3  CYS   8           HB1      CYS   8  11.491   0.999   3.281
  229    H    VAL   9           HN       VAL   9   9.453   0.878   1.113
  230    HA   VAL   9           HA       VAL   9  11.176   1.240  -1.231
  231    HB   VAL   9           HB       VAL   9   9.218   2.285  -2.368
  232   HG11  VAL   9          HG11      VAL   9   9.569  -0.089  -2.669
  233   HG12  VAL   9          HG12      VAL   9   7.842   0.278  -2.646
  234   HG13  VAL   9          3HG1      VAL   9   8.619  -0.420  -1.223
  235   HG21  VAL   9          HG21      VAL   9   7.691   1.536   0.120
  236   HG22  VAL   9          HG22      VAL   9   6.973   2.148  -1.372
  237   HG23  VAL   9          HG23      VAL   9   8.047   3.176  -0.419
  238    HA   PRO  10           HA       PRO  10  12.596   5.094   0.236
  239    HB2  PRO  10           HB2      PRO  10  12.701   6.553  -2.085
  240    HB3  PRO  10           HB1      PRO  10  13.903   5.350  -1.603
  241    HG2  PRO  10           HG2      PRO  10  11.580   5.073  -3.461
  242    HG3  PRO  10           HG1      PRO  10  13.236   4.464  -3.645
  243    HD2  PRO  10           HD2      PRO  10  11.249   2.857  -2.879
  244    HD3  PRO  10           HD1      PRO  10  12.876   2.693  -2.182
  245    H    SER  11           HN       SER  11  12.153   7.281   0.582
  246    HA   SER  11           HA       SER  11   9.456   7.904   1.048
  247    HB2  SER  11           HB2      SER  11  11.887   9.690   1.047
  248    HB3  SER  11           HB1      SER  11  10.373   9.953   1.911
  249    HG   SER  11           HG       SER  11  11.763   9.087   3.362
  250    H    GLY  12           HN       GLY  12   8.030   8.709  -0.359
  251    HA2  GLY  12           HA2      GLY  12   7.502  10.539  -1.834
  252    HA3  GLY  12           HA1      GLY  12   9.070  10.298  -2.600
  253    H    THR  13           HN       THR  13   8.101   7.287  -2.003
  254    HA   THR  13           HA       THR  13   7.283   6.791  -4.674
  255    HB   THR  13           HB       THR  13   7.058   4.999  -2.227
  256    HG1  THR  13           HG1      THR  13   9.197   5.412  -2.473
  257   HG21  THR  13          HG21      THR  13   7.097   4.307  -5.176
  258   HG22  THR  13          HG22      THR  13   5.686   4.233  -4.122
  259   HG23  THR  13          HG23      THR  13   7.050   3.150  -3.845
  260    H    CYS  14           HN       CYS  14   5.282   7.180  -5.457
  261    HA   CYS  14           HA       CYS  14   3.070   7.172  -3.562
  262    HB2  CYS  14           HB2      CYS  14   3.106   8.409  -6.333
  263    HB3  CYS  14           HB1      CYS  14   1.858   8.599  -5.117
  264    H    ALA  15           HN       ALA  15   0.950   6.232  -4.465
  265    HA   ALA  15           HA       ALA  15   1.272   4.360  -6.626
  266    HB1  ALA  15           HB1      ALA  15   0.729   2.387  -5.274
  267    HB2  ALA  15           HB2      ALA  15   0.795   3.365  -3.810
  268    HB3  ALA  15           HB3      ALA  15   2.255   3.110  -4.764
  269    H    ASP  16           HN       ASP  16  -0.710   3.490  -7.304
  270    HA   ASP  16           HA       ASP  16  -3.050   4.992  -6.425
  271    HB2  ASP  16           HB2      ASP  16  -4.160   4.078  -8.433
  272    HB3  ASP  16           HB1      ASP  16  -2.660   4.886  -8.862
  273    H    PHE  17           HN       PHE  17  -4.838   4.019  -5.572
  274    HA   PHE  17           HA       PHE  17  -4.685   1.173  -4.987
  275    HB2  PHE  17           HB2      PHE  17  -5.137   3.427  -3.032
  276    HB3  PHE  17           HB1      PHE  17  -5.562   1.757  -2.685
  277    HD1  PHE  17           HD1      PHE  17  -3.829   0.084  -2.415
  278    HD2  PHE  17           HD2      PHE  17  -2.890   4.181  -2.987
  279    HE1  PHE  17           HE1      PHE  17  -1.550  -0.337  -1.611
  280    HE2  PHE  17           HE2      PHE  17  -0.603   3.777  -2.181
  281    HZ   PHE  17           HZ       PHE  17   0.068   1.508  -1.499
  282    HA   PRO  18           HA       PRO  18  -9.066   1.245  -5.881
  283    HB2  PRO  18           HB2      PRO  18  -9.568  -0.573  -3.625
  284    HB3  PRO  18           HB1      PRO  18  -9.758  -0.870  -5.354
  285    HG2  PRO  18           HG2      PRO  18  -7.813  -2.042  -3.936
  286    HG3  PRO  18           HG1      PRO  18  -7.579  -1.542  -5.618
  287    HD2  PRO  18           HD2      PRO  18  -6.702  -0.179  -3.101
  288    HD3  PRO  18           HD1      PRO  18  -5.814  -0.439  -4.616
  289    H    TRP  19           HN       TRP  19 -11.202   1.543  -4.788
  290    HA   TRP  19           HA       TRP  19 -11.273   3.765  -3.067
  291    HB2  TRP  19           HB2      TRP  19 -13.084   3.063  -4.656
  292    HB3  TRP  19           HB1      TRP  19 -13.418   1.679  -3.628
  293    HD1  TRP  19           HD1      TRP  19 -13.983   5.420  -3.901
  294    HE1  TRP  19           HE1      TRP  19 -15.690   6.143  -2.112
  295    HE3  TRP  19          3HE       TRP  19 -14.317   1.066  -1.274
  296    HZ2  TRP  19           HZ2      TRP  19 -17.001   5.014   0.114
  297    HZ3  TRP  19           HZ3      TRP  19 -15.800   0.972   0.665
  298    HH2  TRP  19          2HH       TRP  19 -17.124   2.905   1.348
  299    HA   PRO  20           HA       PRO  20 -12.212   4.667  -1.407
  300    HB2  PRO  20           HB2      PRO  20 -12.027   5.388   1.245
  301    HB3  PRO  20           HB1      PRO  20 -13.472   4.739   0.470
  302    HG2  PRO  20           HG2      PRO  20 -11.870   3.495   2.494
  303    HG3  PRO  20           HG1      PRO  20 -13.281   2.825   1.667
  304    HD2  PRO  20           HD2      PRO  20 -10.394   2.406   1.124
  305    HD3  PRO  20           HD1      PRO  20 -11.771   1.324   0.821
  306    H    LEU  21           HN       LEU  21  -9.338   3.419  -1.100
  307    HA   LEU  21           HA       LEU  21  -7.819   5.467   0.209
  308    HB2  LEU  21           HB2      LEU  21  -6.887   3.300  -1.667
  309    HB3  LEU  21           HB1      LEU  21  -5.864   4.259  -0.616
  310    HG   LEU  21           HG       LEU  21  -7.906   2.218   0.230
  311   HD11  LEU  21          HD11      LEU  21  -5.988   1.024   1.115
  312   HD12  LEU  21          HD12      LEU  21  -4.911   2.242   0.426
  313   HD13  LEU  21          HD13      LEU  21  -5.889   1.217  -0.636
  314   HD21  LEU  21          HD21      LEU  21  -6.111   3.942   1.909
  315   HD22  LEU  21          HD22      LEU  21  -7.088   2.594   2.496
  316   HD23  LEU  21          HD23      LEU  21  -7.870   4.014   1.803
  317    H    GLY  22           HN       GLY  22  -8.003   4.395  -3.182
  318    HA2  GLY  22           HA2      GLY  22  -8.058   5.671  -5.108
  319    HA3  GLY  22           HA1      GLY  22  -8.081   7.121  -4.117
  320    H    HIS  23           HN       HIS  23  -6.355   8.353  -4.538
  321    HA   HIS  23           HA       HIS  23  -3.899   6.986  -5.358
  322    HB2  HIS  23           HB2      HIS  23  -4.718   9.881  -5.725
  323    HB3  HIS  23           HB1      HIS  23  -3.133   9.248  -6.146
  324    HD1  HIS  23           HD1      HIS  23  -2.936   7.972  -8.409
  325    HD2  HIS  23           HD2      HIS  23  -6.836   9.015  -7.374
  326    HE1  HIS  23           HE1      HIS  23  -4.330   7.566 -10.450
  327    H    GLN  24           HN       GLN  24  -2.467   6.657  -3.848
  328    HA   GLN  24           HA       GLN  24  -2.337   8.594  -1.655
  329    HB2  GLN  24           HB2      GLN  24  -2.037   5.600  -1.537
  330    HB3  GLN  24           HB1      GLN  24  -1.595   6.667  -0.217
  331    HG2  GLN  24           HG2      GLN  24  -3.927   7.474  -0.128
  332    HG3  GLN  24           HG1      GLN  24  -4.343   6.328  -1.398
  333   HE21  GLN  24          1HE2      GLN  24  -2.599   4.241  -0.338
  334   HE22  GLN  24          2HE2      GLN  24  -3.402   3.655   1.082
  335    H    CYS  25           HN       CYS  25  -0.187   8.575  -0.532
  336    HA   CYS  25           HA       CYS  25   1.935   7.656  -2.205
  337    HB2  CYS  25           HB2      CYS  25   1.390   9.947  -3.062
  338    HB3  CYS  25           HB1      CYS  25   1.759  10.589  -1.466
  339    H    PHE  26           HN       PHE  26   3.961   7.564  -1.118
  340    HA   PHE  26           HA       PHE  26   3.611   7.529   1.782
  341    HB2  PHE  26           HB2      PHE  26   5.498   5.925   0.043
  342    HB3  PHE  26           HB1      PHE  26   5.318   5.757   1.782
  343    HD1  PHE  26           HD1      PHE  26   3.017   5.060   2.650
  344    HD2  PHE  26           HD2      PHE  26   4.190   4.658  -1.413
  345    HE1  PHE  26           HE1      PHE  26   1.250   3.392   2.312
  346    HE2  PHE  26           HE2      PHE  26   2.421   2.985  -1.762
  347    HZ   PHE  26           HZ       PHE  26   0.944   2.355   0.118
  348    HA   PRO  27           HA       PRO  27   6.590  10.982   1.113
  349    HB2  PRO  27           HB2      PRO  27   5.818  11.641   3.881
  350    HB3  PRO  27           HB1      PRO  27   5.742  12.646   2.431
  351    HG2  PRO  27           HG2      PRO  27   3.517  11.683   3.560
  352    HG3  PRO  27           HG1      PRO  27   3.677  11.810   1.799
  353    HD2  PRO  27           HD2      PRO  27   3.991   9.404   3.556
  354    HD3  PRO  27           HD1      PRO  27   3.135   9.563   2.005
  355    H    ASP  28           HN       ASP  28   6.375   8.768   3.846
  356    HA   ASP  28           HA       ASP  28   9.255   9.227   4.307
  357    HB2  ASP  28           HB2      ASP  28   9.043   8.287   6.523
  358    HB3  ASP  28           HB1      ASP  28   7.760   9.471   6.334
  Start of MODEL    8
    1    H1   GLY   1           HN       GLY   1  -6.032  -7.788   4.711
    2    HA2  GLY   1           HA2      GLY   1  -7.103  -6.043   3.614
    3    HA3  GLY   1           HA1      GLY   1  -7.841  -5.575   5.150
    4    H    PHE   2           HN       PHE   2  -7.163  -3.376   4.390
    5    HA   PHE   2           HA       PHE   2  -4.679  -2.758   5.666
    6    HB2  PHE   2           HB2      PHE   2  -3.966  -3.441   3.370
    7    HB3  PHE   2           HB1      PHE   2  -4.957  -2.148   2.716
    8    HD1  PHE   2           HD1      PHE   2  -3.932  -0.152   2.238
    9    HD2  PHE   2           HD2      PHE   2  -2.224  -2.682   5.186
   10    HE1  PHE   2           HE1      PHE   2  -2.027   1.380   2.445
   11    HE2  PHE   2           HE2      PHE   2  -0.316  -1.153   5.402
   12    HZ   PHE   2           HZ       PHE   2  -0.217   0.882   4.027
   13    H    CYS   3           HN       CYS   3  -4.730  -0.756   6.454
   14    HA   CYS   3           HA       CYS   3  -6.867   1.027   5.567
   15    HB2  CYS   3           HB2      CYS   3  -5.778   0.548   8.340
   16    HB3  CYS   3           HB1      CYS   3  -6.830   1.891   7.924
   17    H    TRP   4           HN       TRP   4  -6.208   2.943   4.933
   18    HA   TRP   4           HA       TRP   4  -3.827   4.157   5.935
   19    HB2  TRP   4           HB2      TRP   4  -3.077   2.508   4.135
   20    HB3  TRP   4           HB1      TRP   4  -3.972   3.485   2.996
   21    HD1  TRP   4           HD1      TRP   4  -2.907   5.794   2.258
   22    HE1  TRP   4           HE1      TRP   4  -0.538   6.789   2.516
   23    HE3  TRP   4          3HE       TRP   4  -1.051   2.600   5.790
   24    HZ2  TRP   4           HZ2      TRP   4   1.786   6.289   4.009
   25    HZ3  TRP   4           HZ3      TRP   4   1.267   2.932   6.575
   26    HH2  TRP   4          2HH       TRP   4   2.644   4.735   5.701
   27    H    HIS   5           HN       HIS   5  -4.124   6.288   5.824
   28    HA   HIS   5           HA       HIS   5  -5.257   8.197   5.781
   29    HB2  HIS   5           HB2      HIS   5  -4.007   8.351   3.637
   30    HB3  HIS   5           HB1      HIS   5  -5.390   7.667   2.796
   31    HD1  HIS   5           HD1      HIS   5  -6.865   9.418   1.738
   32    HD2  HIS   5           HD2      HIS   5  -4.873  10.845   5.088
   33    HE1  HIS   5           HE1      HIS   5  -7.501  11.838   1.941
   34    H    HIS   6           HN       HIS   6  -6.879   6.818   6.898
   35    HA   HIS   6           HA       HIS   6  -9.018   6.643   7.590
   36    HB2  HIS   6           HB2      HIS   6  -9.558   8.750   5.484
   37    HB3  HIS   6           HB1      HIS   6 -10.683   8.272   6.745
   38    HD1  HIS   6           HD1      HIS   6 -10.203   9.180   9.149
   39    HD2  HIS   6           HD2      HIS   6  -7.455  10.379   6.279
   40    HE1  HIS   6           HE1      HIS   6  -8.861  11.039  10.198
   41    H    SER   7           HN       SER   7  -8.055   5.091   5.114
   42    HA   SER   7           HA       SER   7 -10.726   4.286   4.196
   43    HB2  SER   7           HB2      SER   7  -8.258   4.476   2.470
   44    HB3  SER   7           HB1      SER   7  -9.910   4.140   1.946
   45    HG   SER   7           HG       SER   7  -9.051   6.493   3.226
   46    H    CYS   8           HN       CYS   8 -11.015   2.061   4.153
   47    HA   CYS   8           HA       CYS   8  -8.629   0.418   4.576
   48    HB2  CYS   8           HB2      CYS   8 -11.301   0.104   5.942
   49    HB3  CYS   8           HB1      CYS   8  -9.959  -1.022   6.067
   50    H    VAL   9           HN       VAL   9  -8.480  -1.308   3.361
   51    HA   VAL   9           HA       VAL   9 -10.771  -2.045   1.689
   52    HB   VAL   9           HB       VAL   9  -9.117  -3.262   0.234
   53   HG11  VAL   9          HG11      VAL   9  -8.624  -0.326   0.625
   54   HG12  VAL   9          HG12      VAL   9  -9.847  -1.059  -0.416
   55   HG13  VAL   9          3HG1      VAL   9  -8.133  -1.244  -0.797
   56   HG21  VAL   9          HG21      VAL   9  -6.721  -2.757   0.464
   57   HG22  VAL   9          HG22      VAL   9  -7.341  -3.610   1.879
   58   HG23  VAL   9          HG23      VAL   9  -7.058  -1.871   1.951
   59    HA   PRO  10           HA       PRO  10 -11.285  -5.803   3.930
   60    HB2  PRO  10           HB2      PRO  10 -12.141  -7.464   1.936
   61    HB3  PRO  10           HB1      PRO  10 -13.167  -6.240   2.686
   62    HG2  PRO  10           HG2      PRO  10 -11.655  -6.130   0.112
   63    HG3  PRO  10           HG1      PRO  10 -13.298  -5.570   0.471
   64    HD2  PRO  10           HD2      PRO  10 -11.227  -3.872   0.318
   65    HD3  PRO  10           HD1      PRO  10 -12.553  -3.630   1.474
   66    H    SER  11           HN       SER  11 -10.585  -8.036   4.089
   67    HA   SER  11           HA       SER  11  -7.875  -8.425   3.478
   68    HB2  SER  11           HB2      SER  11  -9.966 -10.445   4.327
   69    HB3  SER  11           HB1      SER  11  -8.220 -10.558   4.564
   70    HG   SER  11           HG       SER  11  -8.980  -9.824   6.460
   71    H    GLY  12           HN       GLY  12  -6.968  -9.503   1.758
   72    HA2  GLY  12           HA2      GLY  12  -7.069 -11.145   0.008
   73    HA3  GLY  12           HA1      GLY  12  -8.801 -10.861  -0.097
   74    H    THR  13           HN       THR  13  -7.918  -7.861   0.195
   75    HA   THR  13           HA       THR  13  -8.019  -7.263  -2.581
   76    HB   THR  13           HB       THR  13  -7.233  -5.466  -0.269
   77    HG1  THR  13           HG1      THR  13  -9.206  -5.964   0.276
   78   HG21  THR  13          HG21      THR  13  -8.377  -4.806  -3.003
   79   HG22  THR  13          HG22      THR  13  -6.717  -4.509  -2.492
   80   HG23  THR  13          HG23      THR  13  -8.041  -3.641  -1.723
   81    H    CYS  14           HN       CYS  14  -6.348  -6.840  -3.994
   82    HA   CYS  14           HA       CYS  14  -3.648  -7.036  -2.870
   83    HB2  CYS  14           HB2      CYS  14  -4.535  -7.920  -5.626
   84    HB3  CYS  14           HB1      CYS  14  -2.949  -8.153  -4.892
   85    H    ALA  15           HN       ALA  15  -2.213  -5.532  -3.410
   86    HA   ALA  15           HA       ALA  15  -3.053  -3.514  -5.349
   87    HB1  ALA  15           HB1      ALA  15  -1.651  -2.996  -2.717
   88    HB2  ALA  15           HB2      ALA  15  -3.340  -2.641  -3.065
   89    HB3  ALA  15           HB3      ALA  15  -2.069  -1.782  -3.925
   90    H    ASP  16           HN       ASP  16  -1.412  -2.650  -6.558
   91    HA   ASP  16           HA       ASP  16   1.017  -4.262  -6.588
   92    HB2  ASP  16           HB2      ASP  16  -0.238  -2.516  -8.703
   93    HB3  ASP  16           HB1      ASP  16   1.401  -3.136  -8.844
   94    H    PHE  17           HN       PHE  17   2.597  -3.527  -5.542
   95    HA   PHE  17           HA       PHE  17   3.007  -0.658  -5.238
   96    HB2  PHE  17           HB2      PHE  17   4.177  -3.075  -3.875
   97    HB3  PHE  17           HB1      PHE  17   4.724  -1.436  -3.585
   98    HD1  PHE  17           HD1      PHE  17   3.438   0.065  -2.274
   99    HD2  PHE  17           HD2      PHE  17   2.049  -3.870  -3.062
  100    HE1  PHE  17           HE1      PHE  17   1.826   0.280  -0.454
  101    HE2  PHE  17           HE2      PHE  17   0.412  -3.658  -1.237
  102    HZ   PHE  17           HZ       PHE  17   0.311  -1.571   0.073
  103    HA   PRO  18           HA       PRO  18   6.704  -0.966  -7.821
  104    HB2  PRO  18           HB2      PRO  18   8.126   0.642  -5.783
  105    HB3  PRO  18           HB1      PRO  18   7.827   1.013  -7.484
  106    HG2  PRO  18           HG2      PRO  18   6.537   2.318  -5.545
  107    HG3  PRO  18           HG1      PRO  18   5.722   1.886  -7.059
  108    HD2  PRO  18           HD2      PRO  18   5.583   0.548  -4.385
  109    HD3  PRO  18           HD1      PRO  18   4.277   0.918  -5.534
  110    H    TRP  19           HN       TRP  19   9.044  -1.545  -7.556
  111    HA   TRP  19           HA       TRP  19   9.427  -3.900  -6.092
  112    HB2  TRP  19           HB2      TRP  19  10.615  -3.226  -8.199
  113    HB3  TRP  19           HB1      TRP  19  11.491  -2.008  -7.287
  114    HD1  TRP  19           HD1      TRP  19  11.353  -5.755  -7.962
  115    HE1  TRP  19           HE1      TRP  19  13.496  -6.849  -7.068
  116    HE3  TRP  19          3HE       TRP  19  13.328  -1.754  -5.474
  117    HZ2  TRP  19           HZ2      TRP  19  15.734  -6.119  -5.508
  118    HZ3  TRP  19           HZ3      TRP  19  15.465  -2.032  -4.308
  119    HH2  TRP  19          2HH       TRP  19  16.650  -4.171  -4.322
  120    HA   PRO  20           HA       PRO  20  10.850  -4.995  -5.025
  121    HB2  PRO  20           HB2      PRO  20  11.416  -5.965  -2.462
  122    HB3  PRO  20           HB1      PRO  20  12.585  -5.551  -3.714
  123    HG2  PRO  20           HG2      PRO  20  12.214  -4.219  -1.252
  124    HG3  PRO  20           HG1      PRO  20  13.199  -3.669  -2.614
  125    HD2  PRO  20           HD2      PRO  20  10.445  -2.865  -1.819
  126    HD3  PRO  20           HD1      PRO  20  11.713  -1.918  -2.620
  127    H    LEU  21           HN       LEU  21   8.425  -3.549  -3.355
  128    HA   LEU  21           HA       LEU  21   7.282  -5.757  -1.937
  129    HB2  LEU  21           HB2      LEU  21   6.060  -3.150  -2.814
  130    HB3  LEU  21           HB1      LEU  21   5.133  -4.379  -1.993
  131    HG   LEU  21           HG       LEU  21   6.693  -4.111  -0.031
  132   HD11  LEU  21          HD11      LEU  21   7.615  -1.754  -1.618
  133   HD12  LEU  21          HD12      LEU  21   8.585  -3.153  -1.125
  134   HD13  LEU  21          HD13      LEU  21   7.959  -2.029   0.093
  135   HD21  LEU  21          HD21      LEU  21   4.501  -3.082  -0.105
  136   HD22  LEU  21          HD22      LEU  21   5.183  -1.672  -0.916
  137   HD23  LEU  21          HD23      LEU  21   5.663  -2.057   0.738
  138    H    GLY  22           HN       GLY  22   6.357  -4.161  -4.956
  139    HA2  GLY  22           HA2      GLY  22   5.466  -5.045  -6.868
  140    HA3  GLY  22           HA1      GLY  22   5.822  -6.643  -6.226
  141    H    HIS  23           HN       HIS  23   3.927  -7.650  -6.646
  142    HA   HIS  23           HA       HIS  23   1.461  -6.328  -5.955
  143    HB2  HIS  23           HB2      HIS  23   0.327  -8.400  -6.867
  144    HB3  HIS  23           HB1      HIS  23   1.310  -7.515  -8.017
  145    HD1  HIS  23           HD1      HIS  23   0.877 -10.869  -6.519
  146    HD2  HIS  23           HD2      HIS  23   3.740  -8.843  -8.729
  147    HE1  HIS  23           HE1      HIS  23   2.430 -12.627  -7.437
  148    H    GLN  24           HN       GLN  24   0.776  -6.270  -4.019
  149    HA   GLN  24           HA       GLN  24   1.302  -8.569  -2.276
  150    HB2  GLN  24           HB2      GLN  24   1.256  -5.632  -1.614
  151    HB3  GLN  24           HB1      GLN  24   1.237  -6.898  -0.395
  152    HG2  GLN  24           HG2      GLN  24   3.398  -6.520  -2.454
  153    HG3  GLN  24           HG1      GLN  24   3.484  -5.965  -0.782
  154   HE21  GLN  24          1HE2      GLN  24   5.116  -7.918  -2.273
  155   HE22  GLN  24          2HE2      GLN  24   5.049  -9.371  -1.343
  156    H    CYS  25           HN       CYS  25  -0.377  -9.531  -1.438
  157    HA   CYS  25           HA       CYS  25  -2.980  -8.232  -1.605
  158    HB2  CYS  25           HB2      CYS  25  -2.249 -11.129  -1.125
  159    HB3  CYS  25           HB1      CYS  25  -3.891 -10.497  -1.236
  160    H    PHE  26           HN       PHE  26  -4.011  -7.667   0.135
  161    HA   PHE  26           HA       PHE  26  -2.489  -7.700   2.594
  162    HB2  PHE  26           HB2      PHE  26  -5.136  -6.393   1.983
  163    HB3  PHE  26           HB1      PHE  26  -4.120  -6.089   3.385
  164    HD1  PHE  26           HD1      PHE  26  -1.622  -5.382   2.739
  165    HD2  PHE  26           HD2      PHE  26  -5.051  -4.896   0.270
  166    HE1  PHE  26           HE1      PHE  26  -0.484  -3.581   1.515
  167    HE2  PHE  26           HE2      PHE  26  -3.921  -3.101  -0.956
  168    HZ   PHE  26           HZ       PHE  26  -1.638  -2.441  -0.340
  169    HA   PRO  27           HA       PRO  27  -4.886 -11.335   3.699
  170    HB2  PRO  27           HB2      PRO  27  -3.502 -11.979   5.928
  171    HB3  PRO  27           HB1      PRO  27  -2.901 -12.311   4.300
  172    HG2  PRO  27           HG2      PRO  27  -2.194 -10.082   6.162
  173    HG3  PRO  27           HG1      PRO  27  -1.134 -11.039   5.114
  174    HD2  PRO  27           HD2      PRO  27  -2.004  -8.538   4.494
  175    HD3  PRO  27           HD1      PRO  27  -1.614  -9.762   3.268
  176    H    ASP  28           HN       ASP  28  -4.306  -8.606   5.740
  177    HA   ASP  28           HA       ASP  28  -6.712  -9.285   7.304
  178    HB2  ASP  28           HB2      ASP  28  -4.631  -9.215   8.646
  179    HB3  ASP  28           HB1      ASP  28  -4.318  -7.584   8.077
  180    H1   GLY   1           HN       GLY   1   7.783   7.733   2.770
  181    HA2  GLY   1           HA2      GLY   1   8.407   5.723   1.775
  182    HA3  GLY   1           HA1      GLY   1   9.519   5.444   3.105
  183    H    PHE   2           HN       PHE   2   8.364   3.291   2.494
  184    HA   PHE   2           HA       PHE   2   6.391   2.770   4.539
  185    HB2  PHE   2           HB2      PHE   2   5.018   3.540   2.656
  186    HB3  PHE   2           HB1      PHE   2   5.792   2.377   1.598
  187    HD1  PHE   2           HD1      PHE   2   4.683   0.420   1.167
  188    HD2  PHE   2           HD2      PHE   2   3.863   2.492   4.787
  189    HE1  PHE   2           HE1      PHE   2   2.919  -1.200   1.689
  190    HE2  PHE   2           HE2      PHE   2   2.098   0.867   5.319
  191    HZ   PHE   2           HZ       PHE   2   1.624  -0.981   3.766
  192    H    CYS   3           HN       CYS   3   6.342   0.568   5.059
  193    HA   CYS   3           HA       CYS   3   8.071  -1.205   3.533
  194    HB2  CYS   3           HB2      CYS   3   8.035  -0.866   6.539
  195    HB3  CYS   3           HB1      CYS   3   8.836  -2.186   5.697
  196    H    TRP   4           HN       TRP   4   7.146  -3.076   3.131
  197    HA   TRP   4           HA       TRP   4   5.086  -4.128   4.845
  198    HB2  TRP   4           HB2      TRP   4   3.970  -2.552   3.191
  199    HB3  TRP   4           HB1      TRP   4   4.551  -3.612   1.924
  200    HD1  TRP   4           HD1      TRP   4   3.189  -5.798   1.450
  201    HE1  TRP   4           HE1      TRP   4   1.008  -6.777   2.418
  202    HE3  TRP   4          3HE       TRP   4   2.616  -2.687   5.451
  203    HZ2  TRP   4           HZ2      TRP   4  -0.723  -6.279   4.585
  204    HZ3  TRP   4           HZ3      TRP   4   0.673  -3.000   6.922
  205    HH2  TRP   4          2HH       TRP   4  -0.953  -4.752   6.497
  206    H    HIS   5           HN       HIS   5   5.093  -6.333   4.685
  207    HA   HIS   5           HA       HIS   5   5.895  -8.415   4.256
  208    HB2  HIS   5           HB2      HIS   5   4.783  -7.919   2.020
  209    HB3  HIS   5           HB1      HIS   5   6.335  -7.356   1.425
  210    HD1  HIS   5           HD1      HIS   5   7.372  -9.116  -0.052
  211    HD2  HIS   5           HD2      HIS   5   5.191 -10.737   3.084
  212    HE1  HIS   5           HE1      HIS   5   7.540 -11.613  -0.313
  213    H    HIS   6           HN       HIS   6   7.617  -6.207   5.095
  214    HA   HIS   6           HA       HIS   6   9.676  -5.795   5.761
  215    HB2  HIS   6           HB2      HIS   6  10.309  -8.536   4.678
  216    HB3  HIS   6           HB1      HIS   6  11.526  -7.519   5.439
  217    HD1  HIS   6           HD1      HIS   6  11.822  -8.054   7.867
  218    HD2  HIS   6           HD2      HIS   6   7.958  -8.796   6.557
  219    HE1  HIS   6           HE1      HIS   6  10.589  -9.010   9.840
  220    H    SER   7           HN       SER   7   8.854  -5.801   2.668
  221    HA   SER   7           HA       SER   7  11.407  -4.876   1.652
  222    HB2  SER   7           HB2      SER   7   8.684  -5.073   0.341
  223    HB3  SER   7           HB1      SER   7  10.224  -4.810  -0.478
  224    HG   SER   7           HG       SER   7  10.685  -6.931   0.819
  225    H    CYS   8           HN       CYS   8  11.652  -2.617   1.037
  226    HA   CYS   8           HA       CYS   8   9.538  -0.903   2.097
  227    HB2  CYS   8           HB2      CYS   8  12.508  -0.590   2.536
  228    HB3  CYS   8           HB1      CYS   8  11.282   0.578   3.009
  229    H    VAL   9           HN       VAL   9   9.304   1.064   1.141
  230    HA   VAL   9           HA       VAL   9  10.877   1.514  -1.255
  231    HB   VAL   9           HB       VAL   9   8.924   2.913  -2.101
  232   HG11  VAL   9          HG11      VAL   9   7.593   0.960  -2.849
  233   HG12  VAL   9          HG12      VAL   9   8.479  -0.026  -1.676
  234   HG13  VAL   9          3HG1      VAL   9   9.335   0.724  -3.018
  235   HG21  VAL   9          HG21      VAL   9   7.744   3.227   0.018
  236   HG22  VAL   9          HG22      VAL   9   7.432   1.494   0.112
  237   HG23  VAL   9          HG23      VAL   9   6.691   2.454  -1.168
  238    HA   PRO  10           HA       PRO  10  12.321   5.035   0.915
  239    HB2  PRO  10           HB2      PRO  10  12.823   6.422  -1.611
  240    HB3  PRO  10           HB1      PRO  10  13.979   5.792  -0.437
  241    HG2  PRO  10           HG2      PRO  10  13.640   4.658  -2.863
  242    HG3  PRO  10           HG1      PRO  10  14.047   3.709  -1.423
  243    HD2  PRO  10           HD2      PRO  10  11.395   4.096  -2.752
  244    HD3  PRO  10           HD1      PRO  10  12.142   2.616  -2.107
  245    H    SER  11           HN       SER  11  12.023   7.251   1.295
  246    HA   SER  11           HA       SER  11   9.450   8.289   1.288
  247    HB2  SER  11           HB2      SER  11  12.072   9.768   1.404
  248    HB3  SER  11           HB1      SER  11  10.530  10.266   2.110
  249    HG   SER  11           HG       SER  11  12.410   8.484   3.054
  250    H    GLY  12           HN       GLY  12   8.288   9.132  -0.355
  251    HA2  GLY  12           HA2      GLY  12   8.178  10.906  -2.043
  252    HA3  GLY  12           HA1      GLY  12   9.759  10.372  -2.598
  253    H    THR  13           HN       THR  13   8.532   7.571  -1.942
  254    HA   THR  13           HA       THR  13   7.779   7.008  -4.639
  255    HB   THR  13           HB       THR  13   7.659   5.218  -2.191
  256    HG1  THR  13           HG1      THR  13   9.718   5.553  -2.292
  257   HG21  THR  13          HG21      THR  13   7.846   3.377  -3.814
  258   HG22  THR  13          HG22      THR  13   7.877   4.538  -5.135
  259   HG23  THR  13          HG23      THR  13   6.421   4.357  -4.159
  260    H    CYS  14           HN       CYS  14   5.694   6.508  -5.375
  261    HA   CYS  14           HA       CYS  14   3.577   6.746  -3.407
  262    HB2  CYS  14           HB2      CYS  14   3.875   8.867  -4.652
  263    HB3  CYS  14           HB1      CYS  14   3.522   8.012  -6.157
  264    H    ALA  15           HN       ALA  15   1.814   5.487  -3.793
  265    HA   ALA  15           HA       ALA  15   2.104   3.583  -5.995
  266    HB1  ALA  15           HB1      ALA  15   1.438   2.844  -3.144
  267    HB2  ALA  15           HB2      ALA  15   2.982   2.559  -3.944
  268    HB3  ALA  15           HB3      ALA  15   1.533   1.739  -4.516
  269    H    ASP  16           HN       ASP  16   0.215   2.804  -6.832
  270    HA   ASP  16           HA       ASP  16  -2.160   4.320  -6.103
  271    HB2  ASP  16           HB2      ASP  16  -1.648   2.517  -8.490
  272    HB3  ASP  16           HB1      ASP  16  -3.150   3.376  -8.192
  273    H    PHE  17           HN       PHE  17  -3.400   3.485  -4.662
  274    HA   PHE  17           HA       PHE  17  -3.613   0.580  -4.330
  275    HB2  PHE  17           HB2      PHE  17  -4.492   2.936  -2.661
  276    HB3  PHE  17           HB1      PHE  17  -4.903   1.274  -2.286
  277    HD1  PHE  17           HD1      PHE  17  -3.418  -0.103  -1.163
  278    HD2  PHE  17           HD2      PHE  17  -2.136   3.684  -2.573
  279    HE1  PHE  17           HE1      PHE  17  -1.391  -0.297   0.190
  280    HE2  PHE  17           HE2      PHE  17  -0.088   3.498  -1.220
  281    HZ   PHE  17           HZ       PHE  17   0.272   1.491   0.170
  282    HA   PRO  18           HA       PRO  18  -7.782   0.718  -5.980
  283    HB2  PRO  18           HB2      PRO  18  -8.700  -0.892  -3.670
  284    HB3  PRO  18           HB1      PRO  18  -8.752  -1.286  -5.390
  285    HG2  PRO  18           HG2      PRO  18  -7.039  -2.520  -3.759
  286    HG3  PRO  18           HG1      PRO  18  -6.575  -2.080  -5.413
  287    HD2  PRO  18           HD2      PRO  18  -5.925  -0.700  -2.838
  288    HD3  PRO  18           HD1      PRO  18  -4.873  -1.052  -4.229
  289    H    TRP  19           HN       TRP  19 -10.040   1.241  -5.230
  290    HA   TRP  19           HA       TRP  19 -10.052   3.627  -3.700
  291    HB2  TRP  19           HB2      TRP  19 -11.562   2.999  -5.686
  292    HB3  TRP  19           HB1      TRP  19 -12.437   1.958  -4.576
  293    HD1  TRP  19           HD1      TRP  19 -11.758   5.658  -5.302
  294    HE1  TRP  19           HE1      TRP  19 -13.624   7.069  -4.227
  295    HE3  TRP  19          3HE       TRP  19 -14.198   1.972  -2.761
  296    HZ2  TRP  19           HZ2      TRP  19 -15.832   6.674  -2.537
  297    HZ3  TRP  19           HZ3      TRP  19 -16.186   2.573  -1.433
  298    HH2  TRP  19          2HH       TRP  19 -16.978   4.875  -1.328
  299    HA   PRO  20           HA       PRO  20 -11.283   4.758  -2.393
  300    HB2  PRO  20           HB2      PRO  20 -11.595   5.631   0.206
  301    HB3  PRO  20           HB1      PRO  20 -12.902   5.160  -0.877
  302    HG2  PRO  20           HG2      PRO  20 -12.076   3.833   1.510
  303    HG3  PRO  20           HG1      PRO  20 -13.311   3.307   0.360
  304    HD2  PRO  20           HD2      PRO  20 -10.478   2.453   0.613
  305    HD3  PRO  20           HD1      PRO  20 -11.879   1.559  -0.006
  306    H    LEU  21           HN       LEU  21  -8.661   3.259  -1.485
  307    HA   LEU  21           HA       LEU  21  -7.307   5.368  -0.061
  308    HB2  LEU  21           HB2      LEU  21  -6.287   2.815  -1.294
  309    HB3  LEU  21           HB1      LEU  21  -5.205   4.012  -0.629
  310    HG   LEU  21           HG       LEU  21  -6.312   3.667   1.592
  311   HD11  LEU  21          HD11      LEU  21  -8.420   2.749   0.863
  312   HD12  LEU  21          HD12      LEU  21  -7.579   1.619   1.934
  313   HD13  LEU  21          HD13      LEU  21  -7.586   1.349   0.184
  314   HD21  LEU  21          HD21      LEU  21  -5.068   1.249   0.331
  315   HD22  LEU  21          HD22      LEU  21  -5.186   1.583   2.061
  316   HD23  LEU  21          HD23      LEU  21  -4.207   2.620   1.024
  317    H    GLY  22           HN       GLY  22  -7.055   3.951  -3.294
  318    HA2  GLY  22           HA2      GLY  22  -6.535   4.921  -5.293
  319    HA3  GLY  22           HA1      GLY  22  -6.739   6.492  -4.520
  320    H    HIS  23           HN       HIS  23  -4.923   7.211  -5.692
  321    HA   HIS  23           HA       HIS  23  -2.364   6.092  -5.261
  322    HB2  HIS  23           HB2      HIS  23  -1.455   8.183  -6.255
  323    HB3  HIS  23           HB1      HIS  23  -2.729   7.481  -7.236
  324    HD1  HIS  23           HD1      HIS  23  -1.588  10.666  -6.186
  325    HD2  HIS  23           HD2      HIS  23  -5.333   8.901  -6.516
  326    HE1  HIS  23           HE1      HIS  23  -3.251  12.548  -6.231
  327    H    GLN  24           HN       GLN  24  -1.353   5.975  -3.475
  328    HA   GLN  24           HA       GLN  24  -1.540   8.184  -1.568
  329    HB2  GLN  24           HB2      GLN  24  -1.399   5.224  -1.041
  330    HB3  GLN  24           HB1      GLN  24  -1.088   6.430   0.196
  331    HG2  GLN  24           HG2      GLN  24  -3.666   6.177  -1.337
  332    HG3  GLN  24           HG1      GLN  24  -3.395   5.531   0.280
  333   HE21  GLN  24          1HE2      GLN  24  -5.319   7.533  -0.580
  334   HE22  GLN  24          2HE2      GLN  24  -4.956   8.963   0.323
  335    H    CYS  25           HN       CYS  25   0.260   9.138  -1.268
  336    HA   CYS  25           HA       CYS  25   2.666   7.862  -2.251
  337    HB2  CYS  25           HB2      CYS  25   2.178  10.769  -1.635
  338    HB3  CYS  25           HB1      CYS  25   3.531  10.075  -2.528
  339    H    PHE  26           HN       PHE  26   4.572   7.868  -0.977
  340    HA   PHE  26           HA       PHE  26   3.935   7.929   1.883
  341    HB2  PHE  26           HB2      PHE  26   6.138   6.401   0.499
  342    HB3  PHE  26           HB1      PHE  26   5.584   6.200   2.154
  343    HD1  PHE  26           HD1      PHE  26   3.012   5.570   2.368
  344    HD2  PHE  26           HD2      PHE  26   5.406   4.932  -1.091
  345    HE1  PHE  26           HE1      PHE  26   1.451   3.817   1.608
  346    HE2  PHE  26           HE2      PHE  26   3.854   3.189  -1.851
  347    HZ   PHE  26           HZ       PHE  26   1.881   2.632  -0.508
  348    HA   PRO  27           HA       PRO  27   6.771  11.541   1.579
  349    HB2  PRO  27           HB2      PRO  27   5.891  11.771   4.402
  350    HB3  PRO  27           HB1      PRO  27   5.866  12.995   3.135
  351    HG2  PRO  27           HG2      PRO  27   3.607  11.883   3.938
  352    HG3  PRO  27           HG1      PRO  27   3.888  12.179   2.212
  353    HD2  PRO  27           HD2      PRO  27   4.113   9.628   3.753
  354    HD3  PRO  27           HD1      PRO  27   3.379   9.925   2.162
  355    H    ASP  28           HN       ASP  28   6.621   9.091   4.063
  356    HA   ASP  28           HA       ASP  28   9.486   9.518   4.626
  357    HB2  ASP  28           HB2      ASP  28   7.321   8.518   6.480
  358    HB3  ASP  28           HB1      ASP  28   9.034   8.440   6.850
  Start of MODEL    9
    1    H1   GLY   1           HN       GLY   1  -6.383  -7.489   4.019
    2    HA2  GLY   1           HA2      GLY   1  -7.505  -5.676   3.118
    3    HA3  GLY   1           HA1      GLY   1  -8.013  -5.204   4.747
    4    H    PHE   2           HN       PHE   2  -7.150  -3.102   3.735
    5    HA   PHE   2           HA       PHE   2  -4.428  -2.873   4.729
    6    HB2  PHE   2           HB2      PHE   2  -4.150  -3.160   2.324
    7    HB3  PHE   2           HB1      PHE   2  -5.298  -1.872   2.008
    8    HD1  PHE   2           HD1      PHE   2  -4.441   0.176   1.447
    9    HD2  PHE   2           HD2      PHE   2  -2.124  -2.423   3.897
   10    HE1  PHE   2           HE1      PHE   2  -2.595   1.796   1.416
   11    HE2  PHE   2           HE2      PHE   2  -0.279  -0.800   3.870
   12    HZ   PHE   2           HZ       PHE   2  -0.510   1.306   2.627
   13    H    CYS   3           HN       CYS   3  -4.322  -1.320   6.119
   14    HA   CYS   3           HA       CYS   3  -6.277   0.831   5.942
   15    HB2  CYS   3           HB2      CYS   3  -5.097  -0.497   8.380
   16    HB3  CYS   3           HB1      CYS   3  -6.034   0.993   8.433
   17    H    TRP   4           HN       TRP   4  -5.392   2.590   5.355
   18    HA   TRP   4           HA       TRP   4  -2.866   3.482   6.484
   19    HB2  TRP   4           HB2      TRP   4  -2.281   2.392   4.356
   20    HB3  TRP   4           HB1      TRP   4  -3.510   3.314   3.520
   21    HD1  TRP   4           HD1      TRP   4  -2.926   5.859   2.920
   22    HE1  TRP   4           HE1      TRP   4  -0.695   7.119   2.795
   23    HE3  TRP   4          3HE       TRP   4   0.030   2.544   5.447
   24    HZ2  TRP   4           HZ2      TRP   4   1.954   6.774   3.642
   25    HZ3  TRP   4           HZ3      TRP   4   2.410   3.089   5.735
   26    HH2  TRP   4          2HH       TRP   4   3.350   5.165   4.845
   27    H    HIS   5           HN       HIS   5  -3.028   5.630   6.934
   28    HA   HIS   5           HA       HIS   5  -3.902   7.729   7.184
   29    HB2  HIS   5           HB2      HIS   5  -3.309   7.714   4.709
   30    HB3  HIS   5           HB1      HIS   5  -4.981   7.301   4.373
   31    HD1  HIS   5           HD1      HIS   5  -5.970   9.391   3.349
   32    HD2  HIS   5           HD2      HIS   5  -3.558  10.209   6.638
   33    HE1  HIS   5           HE1      HIS   5  -6.101  11.870   3.712
   34    H    HIS   6           HN       HIS   6  -5.420   5.527   8.140
   35    HA   HIS   6           HA       HIS   6  -7.347   5.054   9.179
   36    HB2  HIS   6           HB2      HIS   6  -8.027   7.936   8.536
   37    HB3  HIS   6           HB1      HIS   6  -9.054   6.894   9.511
   38    HD1  HIS   6           HD1      HIS   6  -8.460   6.695  11.973
   39    HD2  HIS   6           HD2      HIS   6  -5.486   8.537   9.732
   40    HE1  HIS   6           HE1      HIS   6  -6.789   7.597  13.636
   41    H    SER   7           HN       SER   7  -7.011   4.885   6.198
   42    HA   SER   7           HA       SER   7  -9.835   4.510   5.512
   43    HB2  SER   7           HB2      SER   7  -7.473   4.987   3.685
   44    HB3  SER   7           HB1      SER   7  -9.170   4.939   3.204
   45    HG   SER   7           HG       SER   7  -8.093   6.748   5.089
   46    H    CYS   8           HN       CYS   8 -10.401   2.408   5.022
   47    HA   CYS   8           HA       CYS   8  -8.198   0.503   4.799
   48    HB2  CYS   8           HB2      CYS   8 -10.775   0.153   6.328
   49    HB3  CYS   8           HB1      CYS   8  -9.568  -1.100   6.075
   50    H    VAL   9           HN       VAL   9  -8.278  -0.775   3.151
   51    HA   VAL   9           HA       VAL   9 -10.790  -1.063   1.676
   52    HB   VAL   9           HB       VAL   9  -9.363  -2.136  -0.148
   53   HG11  VAL   9          HG11      VAL   9 -10.093   0.105  -0.431
   54   HG12  VAL   9          HG12      VAL   9  -8.389   0.051  -0.912
   55   HG13  VAL   9          3HG1      VAL   9  -8.862   0.698   0.665
   56   HG21  VAL   9          HG21      VAL   9  -6.951  -1.697  -0.119
   57   HG22  VAL   9          HG22      VAL   9  -7.428  -2.728   1.234
   58   HG23  VAL   9          HG23      VAL   9  -7.105  -1.012   1.498
   59    HA   PRO  10           HA       PRO  10 -11.515  -4.991   3.341
   60    HB2  PRO  10           HB2      PRO  10 -12.681  -6.303   1.256
   61    HB3  PRO  10           HB1      PRO  10 -13.492  -5.059   2.213
   62    HG2  PRO  10           HG2      PRO  10 -12.136  -4.806  -0.442
   63    HG3  PRO  10           HG1      PRO  10 -13.691  -4.137   0.092
   64    HD2  PRO  10           HD2      PRO  10 -11.476  -2.637  -0.001
   65    HD3  PRO  10           HD1      PRO  10 -12.694  -2.424   1.274
   66    H    SER  11           HN       SER  11 -10.904  -7.122   3.428
   67    HA   SER  11           HA       SER  11  -8.372  -7.833   2.603
   68    HB2  SER  11           HB2      SER  11 -10.664  -9.633   3.399
   69    HB3  SER  11           HB1      SER  11  -8.936  -9.963   3.560
   70    HG   SER  11           HG       SER  11 -10.220  -9.065   5.454
   71    H    GLY  12           HN       GLY  12  -7.629  -8.878   0.837
   72    HA2  GLY  12           HA2      GLY  12  -7.992 -10.465  -0.957
   73    HA3  GLY  12           HA1      GLY  12  -9.619  -9.804  -1.129
   74    H    THR  13           HN       THR  13  -8.229  -7.120  -0.532
   75    HA   THR  13           HA       THR  13  -7.837  -6.376  -3.248
   76    HB   THR  13           HB       THR  13  -7.296  -4.855  -0.686
   77    HG1  THR  13           HG1      THR  13  -9.388  -5.064  -0.620
   78   HG21  THR  13          HG21      THR  13  -7.690  -3.873  -3.522
   79   HG22  THR  13          HG22      THR  13  -6.161  -3.883  -2.644
   80   HG23  THR  13          HG23      THR  13  -7.485  -2.852  -2.098
   81    H    CYS  14           HN       CYS  14  -5.961  -6.366  -4.342
   82    HA   CYS  14           HA       CYS  14  -3.520  -6.841  -2.826
   83    HB2  CYS  14           HB2      CYS  14  -4.047  -7.546  -5.728
   84    HB3  CYS  14           HB1      CYS  14  -2.651  -8.012  -4.772
   85    H    ALA  15           HN       ALA  15  -1.526  -5.774  -3.874
   86    HA   ALA  15           HA       ALA  15  -2.215  -3.562  -5.613
   87    HB1  ALA  15           HB1      ALA  15  -1.033  -1.952  -4.228
   88    HB2  ALA  15           HB2      ALA  15  -0.734  -3.195  -3.015
   89    HB3  ALA  15           HB3      ALA  15  -2.384  -2.661  -3.344
   90    H    ASP  16           HN       ASP  16  -0.544  -2.822  -6.821
   91    HA   ASP  16           HA       ASP  16   1.718  -4.648  -7.059
   92    HB2  ASP  16           HB2      ASP  16   0.456  -4.299  -9.088
   93    HB3  ASP  16           HB1      ASP  16   0.579  -2.553  -8.916
   94    H    PHE  17           HN       PHE  17   3.468  -4.048  -5.948
   95    HA   PHE  17           HA       PHE  17   4.048  -1.191  -5.712
   96    HB2  PHE  17           HB2      PHE  17   4.898  -3.552  -4.033
   97    HB3  PHE  17           HB1      PHE  17   5.536  -1.929  -3.829
   98    HD1  PHE  17           HD1      PHE  17   4.057  -0.135  -3.065
   99    HD2  PHE  17           HD2      PHE  17   2.831  -4.191  -3.151
  100    HE1  PHE  17           HE1      PHE  17   2.233   0.397  -1.506
  101    HE2  PHE  17           HE2      PHE  17   0.996  -3.681  -1.594
  102    HZ   PHE  17           HZ       PHE  17   0.699  -1.372  -0.770
  103    HA   PRO  18           HA       PRO  18   7.890  -2.050  -7.905
  104    HB2  PRO  18           HB2      PRO  18   9.430  -0.228  -6.264
  105    HB3  PRO  18           HB1      PRO  18   8.841   0.027  -7.906
  106    HG2  PRO  18           HG2      PRO  18   7.913   1.418  -5.754
  107    HG3  PRO  18           HG1      PRO  18   6.944   1.087  -7.200
  108    HD2  PRO  18           HD2      PRO  18   6.949  -0.319  -4.559
  109    HD3  PRO  18           HD1      PRO  18   5.570   0.165  -5.570
  110    H    TRP  19           HN       TRP  19  10.225  -2.604  -7.448
  111    HA   TRP  19           HA       TRP  19  10.542  -4.721  -5.673
  112    HB2  TRP  19           HB2      TRP  19  11.936  -4.179  -7.719
  113    HB3  TRP  19           HB1      TRP  19  12.667  -2.876  -6.802
  114    HD1  TRP  19           HD1      TRP  19  12.720  -6.650  -7.206
  115    HE1  TRP  19           HE1      TRP  19  14.770  -7.588  -5.988
  116    HE3  TRP  19          3HE       TRP  19  14.230  -2.417  -4.802
  117    HZ2  TRP  19           HZ2      TRP  19  16.757  -6.665  -4.233
  118    HZ3  TRP  19           HZ3      TRP  19  16.199  -2.532  -3.363
  119    HH2  TRP  19          2HH       TRP  19  17.443  -4.610  -3.082
  120    HA   PRO  20           HA       PRO  20  11.738  -5.668  -4.321
  121    HB2  PRO  20           HB2      PRO  20  12.213  -6.385  -1.711
  122    HB3  PRO  20           HB1      PRO  20  13.448  -5.902  -2.868
  123    HG2  PRO  20           HG2      PRO  20  12.644  -4.483  -0.513
  124    HG3  PRO  20           HG1      PRO  20  13.829  -3.989  -1.725
  125    HD2  PRO  20           HD2      PRO  20  10.973  -3.204  -1.459
  126    HD3  PRO  20           HD1      PRO  20  12.331  -2.307  -2.171
  127    H    LEU  21           HN       LEU  21   9.229  -4.057  -3.267
  128    HA   LEU  21           HA       LEU  21   7.881  -6.016  -1.631
  129    HB2  LEU  21           HB2      LEU  21   6.903  -3.514  -2.992
  130    HB3  LEU  21           HB1      LEU  21   5.857  -4.563  -2.060
  131    HG   LEU  21           HG       LEU  21   8.230  -3.047  -0.964
  132   HD11  LEU  21          HD11      LEU  21   5.271  -2.564  -0.670
  133   HD12  LEU  21          HD12      LEU  21   6.396  -1.569  -1.594
  134   HD13  LEU  21          HD13      LEU  21   6.554  -1.683   0.158
  135   HD21  LEU  21          HD21      LEU  21   6.097  -4.679   0.389
  136   HD22  LEU  21          HD22      LEU  21   7.349  -3.741   1.198
  137   HD23  LEU  21          HD23      LEU  21   7.789  -5.138   0.217
  138    H    GLY  22           HN       GLY  22   7.538  -4.780  -4.906
  139    HA2  GLY  22           HA2      GLY  22   6.764  -5.784  -6.801
  140    HA3  GLY  22           HA1      GLY  22   6.933  -7.332  -5.980
  141    H    HIS  23           HN       HIS  23   5.011  -8.208  -6.542
  142    HA   HIS  23           HA       HIS  23   2.597  -6.704  -6.108
  143    HB2  HIS  23           HB2      HIS  23   1.426  -8.764  -6.958
  144    HB3  HIS  23           HB1      HIS  23   2.597  -8.096  -8.079
  145    HD1  HIS  23           HD1      HIS  23   4.699  -9.605  -8.629
  146    HD2  HIS  23           HD2      HIS  23   2.008 -11.281  -5.944
  147    HE1  HIS  23           HE1      HIS  23   5.322 -12.020  -8.427
  148    H    GLN  24           HN       GLN  24   1.783  -6.476  -4.168
  149    HA   GLN  24           HA       GLN  24   1.979  -8.742  -2.313
  150    HB2  GLN  24           HB2      GLN  24   2.147  -5.790  -1.685
  151    HB3  GLN  24           HB1      GLN  24   1.907  -7.030  -0.464
  152    HG2  GLN  24           HG2      GLN  24   4.290  -6.796  -2.290
  153    HG3  GLN  24           HG1      GLN  24   4.238  -6.334  -0.589
  154   HE21  GLN  24          1HE2      GLN  24   5.885  -8.289  -1.968
  155   HE22  GLN  24          2HE2      GLN  24   5.633  -9.806  -1.185
  156    H    CYS  25           HN       CYS  25   0.123  -9.339  -1.263
  157    HA   CYS  25           HA       CYS  25  -2.159  -7.716  -1.980
  158    HB2  CYS  25           HB2      CYS  25  -2.034  -9.983  -3.108
  159    HB3  CYS  25           HB1      CYS  25  -2.240 -10.698  -1.511
  160    H    PHE  26           HN       PHE  26  -3.937  -7.703  -0.396
  161    HA   PHE  26           HA       PHE  26  -2.807  -7.901   2.298
  162    HB2  PHE  26           HB2      PHE  26  -4.867  -5.963   1.255
  163    HB3  PHE  26           HB1      PHE  26  -4.195  -5.993   2.880
  164    HD1  PHE  26           HD1      PHE  26  -1.677  -5.637   3.114
  165    HD2  PHE  26           HD2      PHE  26  -3.855  -4.723  -0.421
  166    HE1  PHE  26           HE1      PHE  26   0.135  -4.148   2.386
  167    HE2  PHE  26           HE2      PHE  26  -2.056  -3.236  -1.155
  168    HZ   PHE  26           HZ       PHE  26  -0.045  -2.948   0.255
  169    HA   PRO  27           HA       PRO  27  -6.379 -10.742   2.513
  170    HB2  PRO  27           HB2      PRO  27  -4.931 -12.098   4.607
  171    HB3  PRO  27           HB1      PRO  27  -5.319 -12.691   2.992
  172    HG2  PRO  27           HG2      PRO  27  -2.779 -12.105   3.827
  173    HG3  PRO  27           HG1      PRO  27  -3.297 -12.038   2.134
  174    HD2  PRO  27           HD2      PRO  27  -2.935  -9.824   4.107
  175    HD3  PRO  27           HD1      PRO  27  -2.527  -9.889   2.375
  176    H    ASP  28           HN       ASP  28  -4.830  -8.762   4.764
  177    HA   ASP  28           HA       ASP  28  -6.927  -9.080   6.807
  178    HB2  ASP  28           HB2      ASP  28  -4.431  -7.367   6.810
  179    HB3  ASP  28           HB1      ASP  28  -5.553  -7.528   8.150
  180    H1   GLY   1           HN       GLY   1   6.966   7.589   2.497
  181    HA2  GLY   1           HA2      GLY   1   7.660   5.734   1.305
  182    HA3  GLY   1           HA1      GLY   1   8.799   5.371   2.604
  183    H    PHE   2           HN       PHE   2   7.806   3.157   1.984
  184    HA   PHE   2           HA       PHE   2   5.662   2.668   3.891
  185    HB2  PHE   2           HB2      PHE   2   4.498   2.972   1.772
  186    HB3  PHE   2           HB1      PHE   2   5.547   1.798   0.995
  187    HD1  PHE   2           HD1      PHE   2   4.690  -0.299   0.675
  188    HD2  PHE   2           HD2      PHE   2   3.271   2.017   3.943
  189    HE1  PHE   2           HE1      PHE   2   3.097  -2.079   1.238
  190    HE2  PHE   2           HE2      PHE   2   1.675   0.240   4.516
  191    HZ   PHE   2           HZ       PHE   2   1.587  -1.815   3.159
  192    H    CYS   3           HN       CYS   3   5.985   0.911   5.042
  193    HA   CYS   3           HA       CYS   3   8.052  -0.958   4.172
  194    HB2  CYS   3           HB2      CYS   3   7.273  -0.111   6.963
  195    HB3  CYS   3           HB1      CYS   3   8.450  -1.362   6.576
  196    H    TRP   4           HN       TRP   4   7.378  -2.911   3.834
  197    HA   TRP   4           HA       TRP   4   5.289  -4.126   5.396
  198    HB2  TRP   4           HB2      TRP   4   4.070  -2.956   3.550
  199    HB3  TRP   4           HB1      TRP   4   5.044  -3.830   2.383
  200    HD1  TRP   4           HD1      TRP   4   4.375  -6.395   1.927
  201    HE1  TRP   4           HE1      TRP   4   2.277  -7.777   2.530
  202    HE3  TRP   4          3HE       TRP   4   2.276  -3.243   5.359
  203    HZ2  TRP   4           HZ2      TRP   4   0.036  -7.543   4.214
  204    HZ3  TRP   4           HZ3      TRP   4   0.152  -3.900   6.412
  205    HH2  TRP   4          2HH       TRP   4  -0.936  -6.008   5.843
  206    H    HIS   5           HN       HIS   5   5.713  -6.304   5.505
  207    HA   HIS   5           HA       HIS   5   6.723  -8.303   5.232
  208    HB2  HIS   5           HB2      HIS   5   5.546  -8.000   3.001
  209    HB3  HIS   5           HB1      HIS   5   7.073  -7.439   2.341
  210    HD1  HIS   5           HD1      HIS   5   8.006  -9.263   0.936
  211    HD2  HIS   5           HD2      HIS   5   6.179 -10.710   4.372
  212    HE1  HIS   5           HE1      HIS   5   8.272 -11.759   0.863
  213    H    HIS   6           HN       HIS   6   8.287  -6.007   6.005
  214    HA   HIS   6           HA       HIS   6  10.347  -5.594   6.763
  215    HB2  HIS   6           HB2      HIS   6  11.166  -8.127   5.331
  216    HB3  HIS   6           HB1      HIS   6  12.276  -7.147   6.274
  217    HD1  HIS   6           HD1      HIS   6  12.411  -7.717   8.717
  218    HD2  HIS   6           HD2      HIS   6   9.001  -9.249   6.915
  219    HE1  HIS   6           HE1      HIS   6  11.309  -9.202  10.444
  220    H    SER   7           HN       SER   7   9.389  -5.110   3.775
  221    HA   SER   7           HA       SER   7  11.962  -4.014   2.878
  222    HB2  SER   7           HB2      SER   7   9.444  -4.568   1.312
  223    HB3  SER   7           HB1      SER   7  10.991  -4.047   0.648
  224    HG   SER   7           HG       SER   7  11.727  -6.099   1.848
  225    H    CYS   8           HN       CYS   8  12.128  -1.795   2.612
  226    HA   CYS   8           HA       CYS   8   9.667  -0.240   3.010
  227    HB2  CYS   8           HB2      CYS   8  12.464   0.436   3.930
  228    HB3  CYS   8           HB1      CYS   8  11.070   1.508   4.025
  229    H    VAL   9           HN       VAL   9   9.096   0.716   1.231
  230    HA   VAL   9           HA       VAL   9  11.072   1.420  -0.791
  231    HB   VAL   9           HB       VAL   9   9.136   2.186  -2.190
  232   HG11  VAL   9          HG11      VAL   9   8.795  -0.570  -1.029
  233   HG12  VAL   9          HG12      VAL   9   9.858  -0.120  -2.361
  234   HG13  VAL   9          3HG1      VAL   9   8.109  -0.007  -2.551
  235   HG21  VAL   9          HG21      VAL   9   7.638   2.934  -0.407
  236   HG22  VAL   9          HG22      VAL   9   7.453   1.269   0.142
  237   HG23  VAL   9          HG23      VAL   9   6.832   1.749  -1.437
  238    HA   PRO  10           HA       PRO  10  11.793   5.430   0.651
  239    HB2  PRO  10           HB2      PRO  10  12.299   6.860  -1.590
  240    HB3  PRO  10           HB1      PRO  10  13.394   5.621  -0.966
  241    HG2  PRO  10           HG2      PRO  10  11.356   5.415  -3.148
  242    HG3  PRO  10           HG1      PRO  10  13.025   4.820  -3.126
  243    HD2  PRO  10           HD2      PRO  10  10.916   3.206  -2.666
  244    HD3  PRO  10           HD1      PRO  10  12.476   2.965  -1.858
  245    H    SER  11           HN       SER  11  11.093   7.579   0.887
  246    HA   SER  11           HA       SER  11   8.416   8.195   0.726
  247    HB2  SER  11           HB2      SER  11  10.761  10.100   0.773
  248    HB3  SER  11           HB1      SER  11   9.136  10.392   1.398
  249    HG   SER  11           HG       SER  11  10.082   9.732   3.187
  250    H    GLY  12           HN       GLY  12   7.186   8.929  -0.923
  251    HA2  GLY  12           HA2      GLY  12   6.954  10.482  -2.802
  252    HA3  GLY  12           HA1      GLY  12   8.565   9.998  -3.302
  253    H    THR  13           HN       THR  13   7.663   7.172  -2.461
  254    HA   THR  13           HA       THR  13   7.001   6.240  -5.035
  255    HB   THR  13           HB       THR  13   6.664   4.848  -2.358
  256    HG1  THR  13           HG1      THR  13   8.759   5.169  -2.379
  257   HG21  THR  13          HG21      THR  13   6.922   2.775  -3.651
  258   HG22  THR  13          HG22      THR  13   7.045   3.712  -5.138
  259   HG23  THR  13          HG23      THR  13   5.532   3.694  -4.231
  260    H    CYS  14           HN       CYS  14   5.041   6.221  -6.026
  261    HA   CYS  14           HA       CYS  14   2.655   6.492  -4.331
  262    HB2  CYS  14           HB2      CYS  14   2.930   7.272  -7.233
  263    HB3  CYS  14           HB1      CYS  14   1.562   7.557  -6.153
  264    H    ALA  15           HN       ALA  15   1.135   5.018  -4.439
  265    HA   ALA  15           HA       ALA  15   1.294   3.002  -6.560
  266    HB1  ALA  15           HB1      ALA  15   0.718   1.288  -4.882
  267    HB2  ALA  15           HB2      ALA  15   0.809   2.511  -3.616
  268    HB3  ALA  15           HB3      ALA  15   2.257   2.066  -4.514
  269    H    ASP  16           HN       ASP  16  -0.704   2.135  -7.151
  270    HA   ASP  16           HA       ASP  16  -2.940   3.873  -6.494
  271    HB2  ASP  16           HB2      ASP  16  -4.120   2.918  -8.405
  272    HB3  ASP  16           HB1      ASP  16  -2.533   3.471  -8.906
  273    H    PHE  17           HN       PHE  17  -4.519   3.328  -5.258
  274    HA   PHE  17           HA       PHE  17  -4.975   0.512  -4.630
  275    HB2  PHE  17           HB2      PHE  17  -5.077   2.908  -2.783
  276    HB3  PHE  17           HB1      PHE  17  -5.657   1.309  -2.356
  277    HD1  PHE  17           HD1      PHE  17  -4.063  -0.525  -2.067
  278    HD2  PHE  17           HD2      PHE  17  -2.791   3.477  -2.710
  279    HE1  PHE  17           HE1      PHE  17  -1.850  -1.100  -1.208
  280    HE2  PHE  17           HE2      PHE  17  -0.567   2.915  -1.854
  281    HZ   PHE  17           HZ       PHE  17  -0.087   0.616  -1.098
  282    HA   PRO  18           HA       PRO  18  -9.214   1.708  -5.517
  283    HB2  PRO  18           HB2      PRO  18 -10.208   0.024  -3.339
  284    HB3  PRO  18           HB1      PRO  18 -10.395  -0.192  -5.081
  285    HG2  PRO  18           HG2      PRO  18  -8.848  -1.815  -3.583
  286    HG3  PRO  18           HG1      PRO  18  -8.477  -1.428  -5.272
  287    HD2  PRO  18           HD2      PRO  18  -7.265  -0.307  -2.769
  288    HD3  PRO  18           HD1      PRO  18  -6.498  -0.773  -4.294
  289    H    TRP  19           HN       TRP  19 -11.200   2.537  -4.376
  290    HA   TRP  19           HA       TRP  19 -10.712   4.635  -2.588
  291    HB2  TRP  19           HB2      TRP  19 -12.722   4.406  -4.089
  292    HB3  TRP  19           HB1      TRP  19 -13.305   3.104  -3.068
  293    HD1  TRP  19           HD1      TRP  19 -13.049   6.899  -3.237
  294    HE1  TRP  19           HE1      TRP  19 -14.469   7.927  -1.376
  295    HE3  TRP  19          3HE       TRP  19 -14.205   2.645  -0.660
  296    HZ2  TRP  19           HZ2      TRP  19 -15.903   7.055   0.899
  297    HZ3  TRP  19           HZ3      TRP  19 -15.591   2.834   1.345
  298    HH2  TRP  19          2HH       TRP  19 -16.424   5.005   2.111
  299    HA   PRO  20           HA       PRO  20 -11.404   5.675  -0.881
  300    HB2  PRO  20           HB2      PRO  20 -10.835   6.256   1.769
  301    HB3  PRO  20           HB1      PRO  20 -12.440   6.041   1.076
  302    HG2  PRO  20           HG2      PRO  20 -11.168   4.359   2.981
  303    HG3  PRO  20           HG1      PRO  20 -12.701   4.072   2.152
  304    HD2  PRO  20           HD2      PRO  20  -9.989   3.021   1.534
  305    HD3  PRO  20           HD1      PRO  20 -11.579   2.276   1.271
  306    H    LEU  21           HN       LEU  21  -8.798   3.875  -0.864
  307    HA   LEU  21           HA       LEU  21  -6.926   5.830   0.151
  308    HB2  LEU  21           HB2      LEU  21  -6.517   3.121  -1.079
  309    HB3  LEU  21           HB1      LEU  21  -5.180   4.227  -0.887
  310    HG   LEU  21           HG       LEU  21  -5.080   2.680   0.881
  311   HD11  LEU  21          HD11      LEU  21  -6.187   5.261   1.920
  312   HD12  LEU  21          HD12      LEU  21  -4.506   4.885   1.539
  313   HD13  LEU  21          HD13      LEU  21  -5.318   4.063   2.869
  314   HD21  LEU  21          HD21      LEU  21  -6.909   2.316   2.486
  315   HD22  LEU  21          HD22      LEU  21  -7.304   1.813   0.843
  316   HD23  LEU  21          HD23      LEU  21  -7.955   3.330   1.480
  317    H    GLY  22           HN       GLY  22  -7.542   4.336  -3.001
  318    HA2  GLY  22           HA2      GLY  22  -7.320   5.236  -5.103
  319    HA3  GLY  22           HA1      GLY  22  -7.191   6.829  -4.361
  320    H    HIS  23           HN       HIS  23  -5.458   7.476  -5.643
  321    HA   HIS  23           HA       HIS  23  -3.038   5.933  -5.703
  322    HB2  HIS  23           HB2      HIS  23  -3.570   8.799  -6.527
  323    HB3  HIS  23           HB1      HIS  23  -2.049   7.954  -6.780
  324    HD1  HIS  23           HD1      HIS  23  -5.252   8.613  -8.366
  325    HD2  HIS  23           HD2      HIS  23  -2.347   5.657  -8.536
  326    HE1  HIS  23           HE1      HIS  23  -5.628   7.378 -10.528
  327    H    GLN  24           HN       GLN  24  -1.819   5.758  -4.012
  328    HA   GLN  24           HA       GLN  24  -1.695   8.026  -2.186
  329    HB2  GLN  24           HB2      GLN  24  -1.495   5.094  -1.630
  330    HB3  GLN  24           HB1      GLN  24  -0.965   6.308  -0.476
  331    HG2  GLN  24           HG2      GLN  24  -3.746   6.138  -1.610
  332    HG3  GLN  24           HG1      GLN  24  -3.250   5.499  -0.040
  333   HE21  GLN  24          1HE2      GLN  24  -5.152   7.665  -0.812
  334   HE22  GLN  24          2HE2      GLN  24  -4.638   9.030   0.107
  335    H    CYS  25           HN       CYS  25   0.041   9.041  -2.138
  336    HA   CYS  25           HA       CYS  25   2.546   7.786  -2.943
  337    HB2  CYS  25           HB2      CYS  25   1.817  10.688  -2.474
  338    HB3  CYS  25           HB1      CYS  25   3.399  10.101  -2.989
  339    H    PHE  26           HN       PHE  26   3.906   7.249  -1.483
  340    HA   PHE  26           HA       PHE  26   3.118   7.572   1.291
  341    HB2  PHE  26           HB2      PHE  26   5.447   6.030   0.142
  342    HB3  PHE  26           HB1      PHE  26   4.818   5.903   1.778
  343    HD1  PHE  26           HD1      PHE  26   2.270   5.246   1.926
  344    HD2  PHE  26           HD2      PHE  26   4.766   4.492  -1.429
  345    HE1  PHE  26           HE1      PHE  26   0.753   3.457   1.203
  346    HE2  PHE  26           HE2      PHE  26   3.253   2.705  -2.161
  347    HZ   PHE  26           HZ       PHE  26   1.240   2.186  -0.842
  348    HA   PRO  27           HA       PRO  27   5.950  11.076   1.426
  349    HB2  PRO  27           HB2      PRO  27   5.160  12.064   3.824
  350    HB3  PRO  27           HB1      PRO  27   4.237  12.311   2.339
  351    HG2  PRO  27           HG2      PRO  27   3.772  10.376   4.561
  352    HG3  PRO  27           HG1      PRO  27   2.596  11.305   3.617
  353    HD2  PRO  27           HD2      PRO  27   3.169   8.656   3.189
  354    HD3  PRO  27           HD1      PRO  27   2.541   9.750   1.940
  355    H    ASP  28           HN       ASP  28   5.575   8.627   3.825
  356    HA   ASP  28           HA       ASP  28   8.266   9.173   4.918
  357    HB2  ASP  28           HB2      ASP  28   6.057   7.398   5.999
  358    HB3  ASP  28           HB1      ASP  28   7.612   7.676   6.763
  Start of MODEL   10
    1    H1   GLY   1           HN       GLY   1  -5.961  -7.560   4.671
    2    HA2  GLY   1           HA2      GLY   1  -7.242  -5.948   3.535
    3    HA3  GLY   1           HA1      GLY   1  -8.000  -5.505   5.070
    4    H    PHE   2           HN       PHE   2  -7.296  -3.314   4.076
    5    HA   PHE   2           HA       PHE   2  -4.845  -2.653   5.464
    6    HB2  PHE   2           HB2      PHE   2  -4.091  -3.258   3.183
    7    HB3  PHE   2           HB1      PHE   2  -5.143  -2.017   2.523
    8    HD1  PHE   2           HD1      PHE   2  -4.138  -0.036   1.942
    9    HD2  PHE   2           HD2      PHE   2  -2.467  -2.324   5.114
   10    HE1  PHE   2           HE1      PHE   2  -2.317   1.599   2.158
   11    HE2  PHE   2           HE2      PHE   2  -0.643  -0.693   5.337
   12    HZ   PHE   2           HZ       PHE   2  -0.565   1.272   3.856
   13    H    CYS   3           HN       CYS   3  -5.171  -0.925   6.584
   14    HA   CYS   3           HA       CYS   3  -7.110   1.048   5.656
   15    HB2  CYS   3           HB2      CYS   3  -6.165   0.409   8.457
   16    HB3  CYS   3           HB1      CYS   3  -7.229   1.740   8.030
   17    H    TRP   4           HN       TRP   4  -6.379   2.986   5.229
   18    HA   TRP   4           HA       TRP   4  -3.988   4.028   6.413
   19    HB2  TRP   4           HB2      TRP   4  -3.083   2.696   4.542
   20    HB3  TRP   4           HB1      TRP   4  -4.176   3.491   3.428
   21    HD1  TRP   4           HD1      TRP   4  -3.542   6.017   2.715
   22    HE1  TRP   4           HE1      TRP   4  -1.334   7.317   2.802
   23    HE3  TRP   4          3HE       TRP   4  -0.940   2.969   5.887
   24    HZ2  TRP   4           HZ2      TRP   4   1.189   7.081   4.041
   25    HZ3  TRP   4           HZ3      TRP   4   1.378   3.580   6.457
   26    HH2  TRP   4          2HH       TRP   4   2.412   5.591   5.552
   27    H    HIS   5           HN       HIS   5  -4.209   6.203   6.525
   28    HA   HIS   5           HA       HIS   5  -5.018   8.307   6.287
   29    HB2  HIS   5           HB2      HIS   5  -4.341   7.785   3.876
   30    HB3  HIS   5           HB1      HIS   5  -6.024   7.400   3.566
   31    HD1  HIS   5           HD1      HIS   5  -7.128   9.303   2.385
   32    HD2  HIS   5           HD2      HIS   5  -4.222  10.570   5.066
   33    HE1  HIS   5           HE1      HIS   5  -7.045  11.813   2.187
   34    H    HIS   6           HN       HIS   6  -6.647   6.029   7.282
   35    HA   HIS   6           HA       HIS   6  -8.552   5.685   8.335
   36    HB2  HIS   6           HB2      HIS   6  -9.291   8.460   7.416
   37    HB3  HIS   6           HB1      HIS   6 -10.392   7.457   8.348
   38    HD1  HIS   6           HD1      HIS   6 -10.245   7.835  10.809
   39    HD2  HIS   6           HD2      HIS   6  -6.700   8.763   8.859
   40    HE1  HIS   6           HE1      HIS   6  -8.669   8.700  12.591
   41    H    SER   7           HN       SER   7  -8.133   5.278   5.320
   42    HA   SER   7           HA       SER   7 -10.904   4.469   4.827
   43    HB2  SER   7           HB2      SER   7  -8.642   4.974   2.888
   44    HB3  SER   7           HB1      SER   7 -10.298   4.544   2.447
   45    HG   SER   7           HG       SER   7 -10.574   6.594   3.977
   46    H    CYS   8           HN       CYS   8 -11.202   2.241   4.288
   47    HA   CYS   8           HA       CYS   8  -8.792   0.587   4.568
   48    HB2  CYS   8           HB2      CYS   8 -11.525   0.054   5.730
   49    HB3  CYS   8           HB1      CYS   8 -10.150  -1.036   5.807
   50    H    VAL   9           HN       VAL   9  -8.601  -1.070   3.209
   51    HA   VAL   9           HA       VAL   9 -10.860  -1.651   1.457
   52    HB   VAL   9           HB       VAL   9  -9.187  -2.657  -0.151
   53   HG11  VAL   9          HG11      VAL   9  -8.346  -0.523  -1.025
   54   HG12  VAL   9          HG12      VAL   9  -8.783   0.257   0.496
   55   HG13  VAL   9          3HG1      VAL   9 -10.039  -0.422  -0.538
   56   HG21  VAL   9          HG21      VAL   9  -7.362  -3.089   1.412
   57   HG22  VAL   9          HG22      VAL   9  -7.161  -1.359   1.675
   58   HG23  VAL   9          HG23      VAL   9  -6.805  -2.055   0.095
   59    HA   PRO  10           HA       PRO  10 -11.203  -5.552   3.453
   60    HB2  PRO  10           HB2      PRO  10 -11.920  -6.806   0.888
   61    HB3  PRO  10           HB1      PRO  10 -12.895  -6.603   2.345
   62    HG2  PRO  10           HG2      PRO  10 -13.388  -5.178   0.133
   63    HG3  PRO  10           HG1      PRO  10 -13.583  -4.476   1.748
   64    HD2  PRO  10           HD2      PRO  10 -11.331  -4.156  -0.197
   65    HD3  PRO  10           HD1      PRO  10 -12.148  -2.934   0.805
   66    H    SER  11           HN       SER  11 -10.466  -7.752   3.529
   67    HA   SER  11           HA       SER  11  -7.791  -8.135   2.863
   68    HB2  SER  11           HB2      SER  11  -8.337 -10.513   3.571
   69    HB3  SER  11           HB1      SER  11  -8.714  -9.259   4.751
   70    HG   SER  11           HG       SER  11 -10.453 -10.697   3.065
   71    H    GLY  12           HN       GLY  12  -6.842  -9.147   1.149
   72    HA2  GLY  12           HA2      GLY  12  -7.050 -10.739  -0.683
   73    HA3  GLY  12           HA1      GLY  12  -8.683 -10.138  -0.912
   74    H    THR  13           HN       THR  13  -7.566  -7.377  -0.291
   75    HA   THR  13           HA       THR  13  -7.207  -6.609  -2.988
   76    HB   THR  13           HB       THR  13  -6.692  -5.011  -0.466
   77    HG1  THR  13           HG1      THR  13  -8.772  -5.435  -0.244
   78   HG21  THR  13          HG21      THR  13  -7.228  -3.076  -1.906
   79   HG22  THR  13          HG22      THR  13  -7.404  -4.160  -3.287
   80   HG23  THR  13          HG23      THR  13  -5.830  -3.956  -2.523
   81    H    CYS  14           HN       CYS  14  -5.382  -6.285  -4.140
   82    HA   CYS  14           HA       CYS  14  -2.806  -6.519  -2.755
   83    HB2  CYS  14           HB2      CYS  14  -3.443  -7.369  -5.592
   84    HB3  CYS  14           HB1      CYS  14  -1.936  -7.614  -4.715
   85    H    ALA  15           HN       ALA  15  -1.290  -5.007  -3.284
   86    HA   ALA  15           HA       ALA  15  -2.118  -2.982  -5.243
   87    HB1  ALA  15           HB1      ALA  15  -0.995  -1.306  -3.860
   88    HB2  ALA  15           HB2      ALA  15  -0.600  -2.554  -2.675
   89    HB3  ALA  15           HB3      ALA  15  -2.282  -2.115  -2.967
   90    H    ASP  16           HN       ASP  16  -0.604  -2.290  -6.658
   91    HA   ASP  16           HA       ASP  16   1.766  -3.955  -6.875
   92    HB2  ASP  16           HB2      ASP  16   0.373  -3.731  -8.864
   93    HB3  ASP  16           HB1      ASP  16   0.529  -1.979  -8.804
   94    H    PHE  17           HN       PHE  17   3.437  -3.276  -5.815
   95    HA   PHE  17           HA       PHE  17   4.114  -0.415  -5.731
   96    HB2  PHE  17           HB2      PHE  17   4.980  -2.733  -4.005
   97    HB3  PHE  17           HB1      PHE  17   5.550  -1.087  -3.824
   98    HD1  PHE  17           HD1      PHE  17   3.882   0.664  -3.161
   99    HD2  PHE  17           HD2      PHE  17   3.078  -3.496  -2.952
  100    HE1  PHE  17           HE1      PHE  17   2.118   1.101  -1.542
  101    HE2  PHE  17           HE2      PHE  17   1.285  -3.077  -1.327
  102    HZ   PHE  17           HZ       PHE  17   0.798  -0.778  -0.611
  103    HA   PRO  18           HA       PRO  18   7.940  -1.553  -7.914
  104    HB2  PRO  18           HB2      PRO  18   9.559   0.005  -6.023
  105    HB3  PRO  18           HB1      PRO  18   9.279   0.301  -7.738
  106    HG2  PRO  18           HG2      PRO  18   8.243   1.889  -5.818
  107    HG3  PRO  18           HG1      PRO  18   7.412   1.579  -7.352
  108    HD2  PRO  18           HD2      PRO  18   6.880   0.399  -4.645
  109    HD3  PRO  18           HD1      PRO  18   5.746   0.912  -5.893
  110    H    TRP  19           HN       TRP  19  10.163  -2.481  -7.424
  111    HA   TRP  19           HA       TRP  19  10.044  -4.632  -5.610
  112    HB2  TRP  19           HB2      TRP  19  11.493  -4.435  -7.713
  113    HB3  TRP  19           HB1      TRP  19  12.539  -3.358  -6.805
  114    HD1  TRP  19           HD1      TRP  19  11.479  -7.041  -7.004
  115    HE1  TRP  19           HE1      TRP  19  13.248  -8.485  -5.832
  116    HE3  TRP  19          3HE       TRP  19  14.394  -3.322  -5.066
  117    HZ2  TRP  19           HZ2      TRP  19  15.585  -8.100  -4.292
  118    HZ3  TRP  19           HZ3      TRP  19  16.385  -3.946  -3.754
  119    HH2  TRP  19          2HH       TRP  19  16.964  -6.285  -3.378
  120    HA   PRO  20           HA       PRO  20  11.286  -5.797  -4.246
  121    HB2  PRO  20           HB2      PRO  20  11.526  -6.376  -1.537
  122    HB3  PRO  20           HB1      PRO  20  12.851  -6.277  -2.696
  123    HG2  PRO  20           HG2      PRO  20  12.415  -4.538  -0.505
  124    HG3  PRO  20           HG1      PRO  20  13.563  -4.302  -1.828
  125    HD2  PRO  20           HD2      PRO  20  10.830  -3.169  -1.467
  126    HD3  PRO  20           HD1      PRO  20  12.267  -2.442  -2.217
  127    H    LEU  21           HN       LEU  21   8.970  -3.832  -3.279
  128    HA   LEU  21           HA       LEU  21   7.391  -5.618  -1.699
  129    HB2  LEU  21           HB2      LEU  21   6.835  -2.955  -2.942
  130    HB3  LEU  21           HB1      LEU  21   5.548  -3.905  -2.226
  131    HG   LEU  21           HG       LEU  21   7.996  -2.960  -0.727
  132   HD11  LEU  21          HD11      LEU  21   6.567  -1.081  -1.434
  133   HD12  LEU  21          HD12      LEU  21   6.488  -1.349   0.306
  134   HD13  LEU  21          HD13      LEU  21   5.170  -1.897  -0.731
  135   HD21  LEU  21          HD21      LEU  21   6.729  -3.617   1.217
  136   HD22  LEU  21          HD22      LEU  21   6.921  -5.001   0.141
  137   HD23  LEU  21          HD23      LEU  21   5.393  -4.122   0.195
  138    H    GLY  22           HN       GLY  22   6.996  -4.309  -4.985
  139    HA2  GLY  22           HA2      GLY  22   6.053  -5.313  -6.824
  140    HA3  GLY  22           HA1      GLY  22   6.156  -6.848  -5.964
  141    H    HIS  23           HN       HIS  23   4.062  -7.610  -6.335
  142    HA   HIS  23           HA       HIS  23   1.957  -5.790  -5.531
  143    HB2  HIS  23           HB2      HIS  23   0.320  -7.359  -6.477
  144    HB3  HIS  23           HB1      HIS  23   1.515  -6.914  -7.672
  145    HD1  HIS  23           HD1      HIS  23   3.224  -8.914  -8.378
  146    HD2  HIS  23           HD2      HIS  23   0.051  -9.982  -5.914
  147    HE1  HIS  23           HE1      HIS  23   3.039 -11.418  -8.507
  148    H    GLN  24           HN       GLN  24   1.702  -5.667  -3.527
  149    HA   GLN  24           HA       GLN  24   1.915  -8.082  -1.921
  150    HB2  GLN  24           HB2      GLN  24   1.945  -5.178  -1.141
  151    HB3  GLN  24           HB1      GLN  24   1.861  -6.485   0.035
  152    HG2  GLN  24           HG2      GLN  24   4.055  -6.135  -1.995
  153    HG3  GLN  24           HG1      GLN  24   4.143  -5.657  -0.298
  154   HE21  GLN  24          1HE2      GLN  24   5.628  -7.660  -1.929
  155   HE22  GLN  24          2HE2      GLN  24   5.552  -9.120  -1.031
  156    H    CYS  25           HN       CYS  25   0.284  -9.072  -1.196
  157    HA   CYS  25           HA       CYS  25  -2.342  -7.860  -1.468
  158    HB2  CYS  25           HB2      CYS  25  -1.513 -10.737  -1.066
  159    HB3  CYS  25           HB1      CYS  25  -3.163 -10.160  -1.288
  160    H    PHE  26           HN       PHE  26  -3.522  -7.415   0.208
  161    HA   PHE  26           HA       PHE  26  -2.236  -7.585   2.816
  162    HB2  PHE  26           HB2      PHE  26  -4.684  -6.044   1.950
  163    HB3  PHE  26           HB1      PHE  26  -3.844  -5.869   3.485
  164    HD1  PHE  26           HD1      PHE  26  -1.381  -5.121   3.384
  165    HD2  PHE  26           HD2      PHE  26  -4.079  -4.740   0.118
  166    HE1  PHE  26           HE1      PHE  26   0.077  -3.414   2.382
  167    HE2  PHE  26           HE2      PHE  26  -2.627  -3.035  -0.889
  168    HZ   PHE  26           HZ       PHE  26  -0.543  -2.370   0.241
  169    HA   PRO  27           HA       PRO  27  -4.968 -11.170   3.494
  170    HB2  PRO  27           HB2      PRO  27  -3.453 -11.335   6.017
  171    HB3  PRO  27           HB1      PRO  27  -3.658 -12.548   4.751
  172    HG2  PRO  27           HG2      PRO  27  -1.330 -11.282   5.096
  173    HG3  PRO  27           HG1      PRO  27  -1.922 -11.704   3.480
  174    HD2  PRO  27           HD2      PRO  27  -1.961  -9.059   4.876
  175    HD3  PRO  27           HD1      PRO  27  -1.596  -9.452   3.185
  176    H    ASP  28           HN       ASP  28  -4.326  -8.584   5.810
  177    HA   ASP  28           HA       ASP  28  -6.822  -9.259   7.240
  178    HB2  ASP  28           HB2      ASP  28  -4.654  -7.268   7.988
  179    HB3  ASP  28           HB1      ASP  28  -6.096  -7.577   8.926
  180    H1   GLY   1           HN       GLY   1   7.545   7.357   2.277
  181    HA2  GLY   1           HA2      GLY   1   8.235   5.510   0.988
  182    HA3  GLY   1           HA1      GLY   1   9.368   5.072   2.270
  183    H    PHE   2           HN       PHE   2   8.130   2.958   1.685
  184    HA   PHE   2           HA       PHE   2   6.098   2.664   3.747
  185    HB2  PHE   2           HB2      PHE   2   4.801   3.131   1.685
  186    HB3  PHE   2           HB1      PHE   2   5.615   1.798   0.879
  187    HD1  PHE   2           HD1      PHE   2   4.587  -0.278   0.852
  188    HD2  PHE   2           HD2      PHE   2   3.526   2.508   3.887
  189    HE1  PHE   2           HE1      PHE   2   2.845  -1.816   1.650
  190    HE2  PHE   2           HE2      PHE   2   1.781   0.974   4.691
  191    HZ   PHE   2           HZ       PHE   2   1.439  -1.192   3.571
  192    H    CYS   3           HN       CYS   3   6.119   0.591   4.624
  193    HA   CYS   3           HA       CYS   3   7.880  -1.295   3.296
  194    HB2  CYS   3           HB2      CYS   3   9.125   0.030   5.069
  195    HB3  CYS   3           HB1      CYS   3   8.064  -0.720   6.257
  196    H    TRP   4           HN       TRP   4   7.138  -3.269   3.265
  197    HA   TRP   4           HA       TRP   4   5.237  -4.242   5.212
  198    HB2  TRP   4           HB2      TRP   4   3.853  -3.089   3.451
  199    HB3  TRP   4           HB1      TRP   4   4.611  -4.100   2.234
  200    HD1  TRP   4           HD1      TRP   4   3.814  -6.682   2.128
  201    HE1  TRP   4           HE1      TRP   4   1.703  -7.855   2.997
  202    HE3  TRP   4          3HE       TRP   4   2.160  -3.056   5.317
  203    HZ2  TRP   4           HZ2      TRP   4  -0.408  -7.296   4.793
  204    HZ3  TRP   4           HZ3      TRP   4   0.083  -3.444   6.564
  205    HH2  TRP   4          2HH       TRP   4  -1.175  -5.518   6.310
  206    H    HIS   5           HN       HIS   5   5.409  -6.488   5.283
  207    HA   HIS   5           HA       HIS   5   6.319  -8.558   5.023
  208    HB2  HIS   5           HB2      HIS   5   4.994  -8.302   2.874
  209    HB3  HIS   5           HB1      HIS   5   6.479  -7.797   2.081
  210    HD1  HIS   5           HD1      HIS   5   7.486  -9.676   0.791
  211    HD2  HIS   5           HD2      HIS   5   5.442 -11.007   4.149
  212    HE1  HIS   5           HE1      HIS   5   7.655 -12.190   0.765
  213    H    HIS   6           HN       HIS   6   8.012  -6.455   5.723
  214    HA   HIS   6           HA       HIS   6  10.155  -6.025   6.238
  215    HB2  HIS   6           HB2      HIS   6  10.779  -8.697   4.951
  216    HB3  HIS   6           HB1      HIS   6  11.890  -7.770   5.950
  217    HD1  HIS   6           HD1      HIS   6  11.426  -7.786   8.546
  218    HD2  HIS   6           HD2      HIS   6   8.845 -10.123   6.279
  219    HE1  HIS   6           HE1      HIS   6  10.160  -9.226  10.185
  220    H    SER   7           HN       SER   7   8.991  -5.509   3.474
  221    HA   SER   7           HA       SER   7  11.527  -4.885   2.156
  222    HB2  SER   7           HB2      SER   7   8.825  -5.450   0.931
  223    HB3  SER   7           HB1      SER   7  10.313  -5.108   0.043
  224    HG   SER   7           HG       SER   7   9.675  -7.345   1.646
  225    H    CYS   8           HN       CYS   8  11.917  -2.763   2.321
  226    HA   CYS   8           HA       CYS   8   9.638  -0.944   2.593
  227    HB2  CYS   8           HB2      CYS   8  12.521  -0.361   3.243
  228    HB3  CYS   8           HB1      CYS   8  11.097   0.509   3.784
  229    H    VAL   9           HN       VAL   9   9.303   0.560   1.057
  230    HA   VAL   9           HA       VAL   9  11.284   0.769  -1.073
  231    HB   VAL   9           HB       VAL   9   9.475   1.807  -2.478
  232   HG11  VAL   9          HG11      VAL   9  10.002  -0.533  -2.727
  233   HG12  VAL   9          HG12      VAL   9   8.266  -0.284  -2.919
  234   HG13  VAL   9          3HG1      VAL   9   8.902  -0.946  -1.413
  235   HG21  VAL   9          HG21      VAL   9   7.126   1.551  -1.770
  236   HG22  VAL   9          HG22      VAL   9   8.017   2.636  -0.703
  237   HG23  VAL   9          HG23      VAL   9   7.675   0.984  -0.192
  238    HA   PRO  10           HA       PRO  10  12.732   4.740  -0.095
  239    HB2  PRO  10           HB2      PRO  10  12.124   5.549  -2.892
  240    HB3  PRO  10           HB1      PRO  10  13.636   5.682  -1.984
  241    HG2  PRO  10           HG2      PRO  10  13.369   3.791  -3.792
  242    HG3  PRO  10           HG1      PRO  10  14.125   3.419  -2.231
  243    HD2  PRO  10           HD2      PRO  10  11.358   2.804  -3.185
  244    HD3  PRO  10           HD1      PRO  10  12.491   1.799  -2.252
  245    H    SER  11           HN       SER  11  12.264   6.796   0.379
  246    HA   SER  11           HA       SER  11   9.611   7.586   0.906
  247    HB2  SER  11           HB2      SER  11  12.131   9.244   0.767
  248    HB3  SER  11           HB1      SER  11  10.659   9.629   1.662
  249    HG   SER  11           HG       SER  11  11.453   7.189   2.391
  250    H    GLY  12           HN       GLY  12   8.139   8.443  -0.466
  251    HA2  GLY  12           HA2      GLY  12   7.659  10.283  -1.954
  252    HA3  GLY  12           HA1      GLY  12   9.174   9.923  -2.775
  253    H    THR  13           HN       THR  13   8.148   6.988  -2.129
  254    HA   THR  13           HA       THR  13   7.248   6.444  -4.735
  255    HB   THR  13           HB       THR  13   7.105   4.788  -2.206
  256    HG1  THR  13           HG1      THR  13   9.188   4.994  -2.611
  257   HG21  THR  13          HG21      THR  13   6.837   3.918  -5.093
  258   HG22  THR  13          HG22      THR  13   5.533   3.942  -3.908
  259   HG23  THR  13          HG23      THR  13   6.896   2.841  -3.699
  260    H    CYS  14           HN       CYS  14   5.294   6.803  -5.571
  261    HA   CYS  14           HA       CYS  14   3.005   7.053  -3.792
  262    HB2  CYS  14           HB2      CYS  14   3.295   7.838  -6.699
  263    HB3  CYS  14           HB1      CYS  14   1.888   8.136  -5.697
  264    H    ALA  15           HN       ALA  15   1.182   5.677  -4.074
  265    HA   ALA  15           HA       ALA  15   1.461   3.681  -6.176
  266    HB1  ALA  15           HB1      ALA  15   2.312   2.704  -4.095
  267    HB2  ALA  15           HB2      ALA  15   0.828   1.914  -4.627
  268    HB3  ALA  15           HB3      ALA  15   0.781   3.076  -3.302
  269    H    ASP  16           HN       ASP  16  -0.453   2.740  -6.833
  270    HA   ASP  16           HA       ASP  16  -2.823   4.376  -6.365
  271    HB2  ASP  16           HB2      ASP  16  -2.178   4.163  -8.696
  272    HB3  ASP  16           HB1      ASP  16  -2.122   2.412  -8.556
  273    H    PHE  17           HN       PHE  17  -4.248   3.617  -5.016
  274    HA   PHE  17           HA       PHE  17  -4.539   0.724  -4.671
  275    HB2  PHE  17           HB2      PHE  17  -5.101   3.030  -2.796
  276    HB3  PHE  17           HB1      PHE  17  -5.595   1.376  -2.485
  277    HD1  PHE  17           HD1      PHE  17  -4.059  -0.229  -1.698
  278    HD2  PHE  17           HD2      PHE  17  -2.743   3.668  -2.749
  279    HE1  PHE  17           HE1      PHE  17  -1.925  -0.652  -0.559
  280    HE2  PHE  17           HE2      PHE  17  -0.604   3.256  -1.615
  281    HZ   PHE  17           HZ       PHE  17  -0.197   1.083  -0.516
  282    HA   PRO  18           HA       PRO  18  -8.778   1.363  -6.052
  283    HB2  PRO  18           HB2      PRO  18  -9.767  -0.467  -3.983
  284    HB3  PRO  18           HB1      PRO  18  -9.764  -0.680  -5.735
  285    HG2  PRO  18           HG2      PRO  18  -8.167  -2.121  -4.106
  286    HG3  PRO  18           HG1      PRO  18  -7.680  -1.657  -5.746
  287    HD2  PRO  18           HD2      PRO  18  -6.910  -0.451  -3.122
  288    HD3  PRO  18           HD1      PRO  18  -5.912  -0.777  -4.556
  289    H    TRP  19           HN       TRP  19 -10.954   1.905  -5.138
  290    HA   TRP  19           HA       TRP  19 -10.811   4.008  -3.264
  291    HB2  TRP  19           HB2      TRP  19 -12.540   3.764  -5.104
  292    HB3  TRP  19           HB1      TRP  19 -13.265   2.451  -4.187
  293    HD1  TRP  19           HD1      TRP  19 -12.851   6.252  -4.166
  294    HE1  TRP  19           HE1      TRP  19 -14.566   7.267  -2.542
  295    HE3  TRP  19          3HE       TRP  19 -14.691   1.945  -2.155
  296    HZ2  TRP  19           HZ2      TRP  19 -16.469   6.351  -0.675
  297    HZ3  TRP  19           HZ3      TRP  19 -16.464   2.095  -0.463
  298    HH2  TRP  19          2HH       TRP  19 -17.329   4.246   0.264
  299    HA   PRO  20           HA       PRO  20 -11.961   4.942  -1.672
  300    HB2  PRO  20           HB2      PRO  20 -11.846   5.432   1.064
  301    HB3  PRO  20           HB1      PRO  20 -13.306   5.137   0.126
  302    HG2  PRO  20           HG2      PRO  20 -12.215   3.458   2.140
  303    HG3  PRO  20           HG1      PRO  20 -13.565   3.093   1.059
  304    HD2  PRO  20           HD2      PRO  20 -10.703   2.305   0.848
  305    HD3  PRO  20           HD1      PRO  20 -12.159   1.438   0.313
  306    H    LEU  21           HN       LEU  21  -9.275   3.277  -1.109
  307    HA   LEU  21           HA       LEU  21  -7.667   5.207   0.260
  308    HB2  LEU  21           HB2      LEU  21  -6.950   2.795  -1.389
  309    HB3  LEU  21           HB1      LEU  21  -5.751   3.812  -0.616
  310    HG   LEU  21           HG       LEU  21  -7.898   2.290   0.873
  311   HD11  LEU  21          HD11      LEU  21  -6.303   0.774  -0.197
  312   HD12  LEU  21          HD12      LEU  21  -6.104   0.824   1.558
  313   HD13  LEU  21          HD13      LEU  21  -4.971   1.690   0.519
  314   HD21  LEU  21          HD21      LEU  21  -5.431   3.719   1.790
  315   HD22  LEU  21          HD22      LEU  21  -6.569   2.843   2.816
  316   HD23  LEU  21          HD23      LEU  21  -7.073   4.311   1.979
  317    H    GLY  22           HN       GLY  22  -7.840   4.157  -3.110
  318    HA2  GLY  22           HA2      GLY  22  -7.560   5.373  -5.030
  319    HA3  GLY  22           HA1      GLY  22  -7.615   6.830  -4.038
  320    H    HIS  23           HN       HIS  23  -5.911   7.918  -4.808
  321    HA   HIS  23           HA       HIS  23  -3.391   6.556  -5.191
  322    HB2  HIS  23           HB2      HIS  23  -4.097   8.334  -6.778
  323    HB3  HIS  23           HB1      HIS  23  -4.057   9.502  -5.462
  324    HD1  HIS  23           HD1      HIS  23  -1.883  10.793  -5.316
  325    HD2  HIS  23           HD2      HIS  23  -1.442   7.101  -7.173
  326    HE1  HIS  23           HE1      HIS  23   0.504  10.675  -6.073
  327    H    GLN  24           HN       GLN  24  -2.137   6.185  -3.523
  328    HA   GLN  24           HA       GLN  24  -2.042   8.189  -1.412
  329    HB2  GLN  24           HB2      GLN  24  -1.941   5.179  -1.114
  330    HB3  GLN  24           HB1      GLN  24  -1.536   6.304   0.177
  331    HG2  GLN  24           HG2      GLN  24  -4.212   6.116  -1.199
  332    HG3  GLN  24           HG1      GLN  24  -3.824   5.449   0.386
  333   HE21  GLN  24          1HE2      GLN  24  -5.772   7.520  -0.446
  334   HE22  GLN  24          2HE2      GLN  24  -5.388   8.899   0.532
  335    H    CYS  25           HN       CYS  25  -0.097   8.986  -1.078
  336    HA   CYS  25           HA       CYS  25   2.093   7.525  -2.301
  337    HB2  CYS  25           HB2      CYS  25   1.456   9.688  -3.453
  338    HB3  CYS  25           HB1      CYS  25   1.937  10.532  -1.985
  339    H    PHE  26           HN       PHE  26   4.005   7.360  -1.172
  340    HA   PHE  26           HA       PHE  26   3.620   7.797   1.701
  341    HB2  PHE  26           HB2      PHE  26   5.452   5.846   0.313
  342    HB3  PHE  26           HB1      PHE  26   5.071   5.906   2.030
  343    HD1  PHE  26           HD1      PHE  26   2.706   5.424   2.751
  344    HD2  PHE  26           HD2      PHE  26   4.124   4.645  -1.177
  345    HE1  PHE  26           HE1      PHE  26   0.820   3.896   2.375
  346    HE2  PHE  26           HE2      PHE  26   2.256   3.124  -1.565
  347    HZ   PHE  26           HZ       PHE  26   0.586   2.746   0.225
  348    HA   PRO  27           HA       PRO  27   6.910  10.830   0.807
  349    HB2  PRO  27           HB2      PRO  27   6.271  11.725   3.536
  350    HB3  PRO  27           HB1      PRO  27   6.238  12.637   2.025
  351    HG2  PRO  27           HG2      PRO  27   3.966  11.948   3.265
  352    HG3  PRO  27           HG1      PRO  27   4.089  11.954   1.497
  353    HD2  PRO  27           HD2      PRO  27   4.227   9.648   3.398
  354    HD3  PRO  27           HD1      PRO  27   3.357   9.797   1.854
  355    H    ASP  28           HN       ASP  28   6.533   8.781   3.621
  356    HA   ASP  28           HA       ASP  28   9.392   9.103   4.249
  357    HB2  ASP  28           HB2      ASP  28   7.296   7.505   5.743
  358    HB3  ASP  28           HB1      ASP  28   8.946   7.784   6.256
  Start of MODEL   11
    1    H1   GLY   1           HN       GLY   1  -5.624  -7.071   4.364
    2    HA2  GLY   1           HA2      GLY   1  -6.869  -5.438   3.266
    3    HA3  GLY   1           HA1      GLY   1  -7.623  -4.992   4.800
    4    H    PHE   2           HN       PHE   2  -6.904  -2.782   3.955
    5    HA   PHE   2           HA       PHE   2  -4.393  -2.191   5.256
    6    HB2  PHE   2           HB2      PHE   2  -3.693  -2.751   2.953
    7    HB3  PHE   2           HB1      PHE   2  -4.798  -1.539   2.325
    8    HD1  PHE   2           HD1      PHE   2  -3.883   0.463   1.725
    9    HD2  PHE   2           HD2      PHE   2  -2.036  -1.791   4.814
   10    HE1  PHE   2           HE1      PHE   2  -2.113   2.160   1.893
   11    HE2  PHE   2           HE2      PHE   2  -0.264  -0.102   4.991
   12    HZ   PHE   2           HZ       PHE   2  -0.299   1.875   3.526
   13    H    CYS   3           HN       CYS   3  -4.268  -0.058   5.966
   14    HA   CYS   3           HA       CYS   3  -6.493   1.675   5.311
   15    HB2  CYS   3           HB2      CYS   3  -5.560   0.944   8.095
   16    HB3  CYS   3           HB1      CYS   3  -6.671   2.254   7.721
   17    H    TRP   4           HN       TRP   4  -5.843   3.705   5.059
   18    HA   TRP   4           HA       TRP   4  -3.466   4.667   6.354
   19    HB2  TRP   4           HB2      TRP   4  -2.791   3.576   4.146
   20    HB3  TRP   4           HB1      TRP   4  -3.727   4.809   3.333
   21    HD1  TRP   4           HD1      TRP   4  -2.689   7.372   3.493
   22    HE1  TRP   4           HE1      TRP   4  -0.246   8.153   3.834
   23    HE3  TRP   4          3HE       TRP   4  -0.671   3.038   5.288
   24    HZ2  TRP   4           HZ2      TRP   4   2.189   7.069   4.725
   25    HZ3  TRP   4           HZ3      TRP   4   1.720   2.992   5.851
   26    HH2  TRP   4          2HH       TRP   4   3.118   4.969   5.579
   27    H    HIS   5           HN       HIS   5  -3.866   6.747   6.904
   28    HA   HIS   5           HA       HIS   5  -5.048   8.664   7.299
   29    HB2  HIS   5           HB2      HIS   5  -5.738   8.313   4.370
   30    HB3  HIS   5           HB1      HIS   5  -6.358   9.662   5.307
   31    HD1  HIS   5           HD1      HIS   5  -3.945   9.266   2.864
   32    HD2  HIS   5           HD2      HIS   5  -3.777  10.772   6.736
   33    HE1  HIS   5           HE1      HIS   5  -2.005  10.824   2.923
   34    H    HIS   6           HN       HIS   6  -6.223   6.007   7.707
   35    HA   HIS   6           HA       HIS   6  -8.011   5.085   8.593
   36    HB2  HIS   6           HB2      HIS   6  -9.236   7.844   8.455
   37    HB3  HIS   6           HB1      HIS   6 -10.106   6.453   9.095
   38    HD1  HIS   6           HD1      HIS   6  -9.817   6.086  11.564
   39    HD2  HIS   6           HD2      HIS   6  -6.719   8.296   9.904
   40    HE1  HIS   6           HE1      HIS   6  -8.339   6.765  13.482
   41    H    SER   7           HN       SER   7  -7.860   6.065   5.524
   42    HA   SER   7           HA       SER   7 -10.419   5.000   4.731
   43    HB2  SER   7           HB2      SER   7  -8.008   5.774   3.070
   44    HB3  SER   7           HB1      SER   7  -9.665   5.559   2.494
   45    HG   SER   7           HG       SER   7 -10.079   7.297   4.206
   46    H    CYS   8           HN       CYS   8 -10.668   2.871   4.083
   47    HA   CYS   8           HA       CYS   8  -8.232   1.245   4.206
   48    HB2  CYS   8           HB2      CYS   8 -10.922   0.548   5.380
   49    HB3  CYS   8           HB1      CYS   8  -9.496  -0.482   5.367
   50    H    VAL   9           HN       VAL   9  -8.322  -0.745   3.146
   51    HA   VAL   9           HA       VAL   9 -10.468  -1.105   1.207
   52    HB   VAL   9           HB       VAL   9  -8.787  -2.181  -0.345
   53   HG11  VAL   9          HG11      VAL   9  -7.824  -0.074  -1.182
   54   HG12  VAL   9          HG12      VAL   9  -8.315   0.711   0.318
   55   HG13  VAL   9          3HG1      VAL   9  -9.535   0.071  -0.779
   56   HG21  VAL   9          HG21      VAL   9  -6.396  -1.682  -0.044
   57   HG22  VAL   9          HG22      VAL   9  -7.022  -2.661   1.285
   58   HG23  VAL   9          HG23      VAL   9  -6.758  -0.932   1.512
   59    HA   PRO  10           HA       PRO  10 -11.103  -4.867   3.270
   60    HB2  PRO  10           HB2      PRO  10 -12.093  -6.440   1.296
   61    HB3  PRO  10           HB1      PRO  10 -13.008  -5.120   2.034
   62    HG2  PRO  10           HG2      PRO  10 -11.458  -5.139  -0.530
   63    HG3  PRO  10           HG1      PRO  10 -13.076  -4.491  -0.200
   64    HD2  PRO  10           HD2      PRO  10 -10.924  -2.896  -0.311
   65    HD3  PRO  10           HD1      PRO  10 -12.249  -2.592   0.831
   66    H    SER  11           HN       SER  11 -10.421  -6.973   3.575
   67    HA   SER  11           HA       SER  11  -7.826  -7.662   2.952
   68    HB2  SER  11           HB2      SER  11 -10.094  -9.502   3.708
   69    HB3  SER  11           HB1      SER  11  -8.374  -9.723   4.036
   70    HG   SER  11           HG       SER  11  -9.275  -8.931   5.856
   71    H    GLY  12           HN       GLY  12  -6.950  -8.858   1.318
   72    HA2  GLY  12           HA2      GLY  12  -7.117 -10.553  -0.381
   73    HA3  GLY  12           HA1      GLY  12  -8.796 -10.076  -0.624
   74    H    THR  13           HN       THR  13  -7.629  -7.214  -0.254
   75    HA   THR  13           HA       THR  13  -7.310  -6.654  -3.015
   76    HB   THR  13           HB       THR  13  -6.762  -4.951  -0.566
   77    HG1  THR  13           HG1      THR  13  -8.851  -5.155  -0.520
   78   HG21  THR  13          HG21      THR  13  -6.917  -3.027  -2.098
   79   HG22  THR  13          HG22      THR  13  -7.089  -4.129  -3.463
   80   HG23  THR  13          HG23      THR  13  -5.582  -4.089  -2.548
   81    H    CYS  14           HN       CYS  14  -5.504  -6.946  -4.137
   82    HA   CYS  14           HA       CYS  14  -2.998  -7.022  -2.674
   83    HB2  CYS  14           HB2      CYS  14  -3.567  -8.236  -5.388
   84    HB3  CYS  14           HB1      CYS  14  -2.156  -8.507  -4.376
   85    H    ALA  15           HN       ALA  15  -1.143  -6.025  -3.844
   86    HA   ALA  15           HA       ALA  15  -1.880  -4.192  -5.945
   87    HB1  ALA  15           HB1      ALA  15  -1.063  -2.227  -4.760
   88    HB2  ALA  15           HB2      ALA  15  -0.771  -3.201  -3.321
   89    HB3  ALA  15           HB3      ALA  15  -2.420  -2.951  -3.894
   90    H    ASP  16           HN       ASP  16  -0.203  -3.737  -7.240
   91    HA   ASP  16           HA       ASP  16   2.320  -4.972  -6.548
   92    HB2  ASP  16           HB2      ASP  16   2.933  -4.651  -8.924
   93    HB3  ASP  16           HB1      ASP  16   1.463  -5.592  -8.737
   94    H    PHE  17           HN       PHE  17   3.915  -3.907  -5.855
   95    HA   PHE  17           HA       PHE  17   3.950  -0.990  -6.094
   96    HB2  PHE  17           HB2      PHE  17   5.119  -2.845  -4.013
   97    HB3  PHE  17           HB1      PHE  17   5.379  -1.111  -4.055
   98    HD1  PHE  17           HD1      PHE  17   3.571   0.412  -3.518
   99    HD2  PHE  17           HD2      PHE  17   3.075  -3.800  -3.218
  100    HE1  PHE  17           HE1      PHE  17   1.599   0.748  -2.113
  101    HE2  PHE  17           HE2      PHE  17   1.093  -3.465  -1.805
  102    HZ   PHE  17           HZ       PHE  17   0.353  -1.182  -1.259
  103    HA   PRO  18           HA       PRO  18   7.935  -1.483  -8.107
  104    HB2  PRO  18           HB2      PRO  18   9.025   0.619  -6.333
  105    HB3  PRO  18           HB1      PRO  18   8.915   0.606  -8.096
  106    HG2  PRO  18           HG2      PRO  18   7.326   2.174  -6.652
  107    HG3  PRO  18           HG1      PRO  18   6.708   1.332  -8.085
  108    HD2  PRO  18           HD2      PRO  18   6.373   0.614  -5.189
  109    HD3  PRO  18           HD1      PRO  18   5.180   0.613  -6.501
  110    H    TRP  19           HN       TRP  19  10.231  -1.827  -7.588
  111    HA   TRP  19           HA       TRP  19  10.701  -3.777  -5.585
  112    HB2  TRP  19           HB2      TRP  19  11.928  -3.889  -7.633
  113    HB3  TRP  19           HB1      TRP  19  12.477  -2.230  -7.472
  114    HD1  TRP  19           HD1      TRP  19  14.249  -1.790  -5.823
  115    HE1  TRP  19           HE1      TRP  19  16.267  -3.184  -4.837
  116    HE3  TRP  19          3HE       TRP  19  12.431  -6.315  -6.785
  117    HZ2  TRP  19           HZ2      TRP  19  16.845  -5.918  -4.514
  118    HZ3  TRP  19           HZ3      TRP  19  13.688  -8.283  -6.073
  119    HH2  TRP  19          2HH       TRP  19  15.845  -8.106  -4.985
  120    HA   PRO  20           HA       PRO  20  12.232  -4.608  -4.494
  121    HB2  PRO  20           HB2      PRO  20  12.546  -4.891  -1.580
  122    HB3  PRO  20           HB1      PRO  20  13.653  -5.345  -2.883
  123    HG2  PRO  20           HG2      PRO  20  14.236  -3.283  -1.378
  124    HG3  PRO  20           HG1      PRO  20  14.408  -3.271  -3.162
  125    HD2  PRO  20           HD2      PRO  20  12.034  -2.193  -1.590
  126    HD3  PRO  20           HD1      PRO  20  13.092  -1.279  -2.699
  127    H    LEU  21           HN       LEU  21   9.616  -3.127  -3.382
  128    HA   LEU  21           HA       LEU  21   8.556  -5.087  -1.581
  129    HB2  LEU  21           HB2      LEU  21   8.071  -2.675  -1.387
  130    HB3  LEU  21           HB1      LEU  21   7.155  -2.745  -2.876
  131    HG   LEU  21           HG       LEU  21   5.457  -4.131  -1.799
  132   HD11  LEU  21          HD11      LEU  21   6.899  -5.409  -0.323
  133   HD12  LEU  21          HD12      LEU  21   5.629  -4.617   0.605
  134   HD13  LEU  21          HD13      LEU  21   7.264  -3.959   0.609
  135   HD21  LEU  21          HD21      LEU  21   5.278  -1.704  -1.558
  136   HD22  LEU  21          HD22      LEU  21   6.236  -1.779  -0.078
  137   HD23  LEU  21          HD23      LEU  21   4.647  -2.541  -0.141
  138    H    GLY  22           HN       GLY  22   7.728  -4.063  -4.884
  139    HA2  GLY  22           HA2      GLY  22   6.989  -5.318  -6.665
  140    HA3  GLY  22           HA1      GLY  22   7.383  -6.754  -5.734
  141    H    HIS  23           HN       HIS  23   5.547  -7.848  -6.368
  142    HA   HIS  23           HA       HIS  23   2.919  -6.740  -5.967
  143    HB2  HIS  23           HB2      HIS  23   3.863  -9.502  -6.720
  144    HB3  HIS  23           HB1      HIS  23   2.170  -9.113  -6.474
  145    HD1  HIS  23           HD1      HIS  23   0.970  -8.550  -8.589
  146    HD2  HIS  23           HD2      HIS  23   5.032  -7.750  -8.827
  147    HE1  HIS  23           HE1      HIS  23   1.401  -7.863 -10.956
  148    H    GLN  24           HN       GLN  24   1.996  -6.598  -4.084
  149    HA   GLN  24           HA       GLN  24   2.506  -8.696  -2.105
  150    HB2  GLN  24           HB2      GLN  24   2.298  -5.723  -1.655
  151    HB3  GLN  24           HB1      GLN  24   2.232  -6.927  -0.377
  152    HG2  GLN  24           HG2      GLN  24   4.546  -6.468  -2.239
  153    HG3  GLN  24           HG1      GLN  24   4.437  -5.911  -0.569
  154   HE21  GLN  24          1HE2      GLN  24   6.368  -7.682  -1.796
  155   HE22  GLN  24          2HE2      GLN  24   6.272  -9.170  -0.910
  156    H    CYS  25           HN       CYS  25   0.709  -8.917  -0.588
  157    HA   CYS  25           HA       CYS  25  -1.678  -7.685  -1.613
  158    HB2  CYS  25           HB2      CYS  25  -1.461 -10.058  -2.462
  159    HB3  CYS  25           HB1      CYS  25  -1.598 -10.592  -0.789
  160    H    PHE  26           HN       PHE  26  -3.409  -7.540  -0.050
  161    HA   PHE  26           HA       PHE  26  -2.302  -7.362   2.649
  162    HB2  PHE  26           HB2      PHE  26  -4.561  -5.802   1.382
  163    HB3  PHE  26           HB1      PHE  26  -3.983  -5.603   3.031
  164    HD1  PHE  26           HD1      PHE  26  -1.700  -4.722   3.421
  165    HD2  PHE  26           HD2      PHE  26  -3.463  -4.766  -0.442
  166    HE1  PHE  26           HE1      PHE  26  -0.047  -3.085   2.656
  167    HE2  PHE  26           HE2      PHE  26  -1.809  -3.125  -1.220
  168    HZ   PHE  26           HZ       PHE  26  -0.089  -2.283   0.344
  169    HA   PRO  27           HA       PRO  27  -5.399 -10.710   3.065
  170    HB2  PRO  27           HB2      PRO  27  -3.868 -11.453   5.432
  171    HB3  PRO  27           HB1      PRO  27  -4.140 -12.378   3.955
  172    HG2  PRO  27           HG2      PRO  27  -1.721 -11.347   4.624
  173    HG3  PRO  27           HG1      PRO  27  -2.249 -11.588   2.950
  174    HD2  PRO  27           HD2      PRO  27  -2.163  -9.081   4.571
  175    HD3  PRO  27           HD1      PRO  27  -1.761  -9.345   2.860
  176    H    ASP  28           HN       ASP  28  -4.190  -8.405   5.309
  177    HA   ASP  28           HA       ASP  28  -6.459  -8.723   7.136
  178    HB2  ASP  28           HB2      ASP  28  -4.261  -8.446   8.149
  179    HB3  ASP  28           HB1      ASP  28  -3.988  -6.975   7.226
  180    H1   GLY   1           HN       GLY   1   6.959   7.168   2.601
  181    HA2  GLY   1           HA2      GLY   1   7.822   5.285   1.473
  182    HA3  GLY   1           HA1      GLY   1   8.931   5.012   2.809
  183    H    PHE   2           HN       PHE   2   7.870   2.799   2.325
  184    HA   PHE   2           HA       PHE   2   5.853   2.318   4.324
  185    HB2  PHE   2           HB2      PHE   2   4.419   2.965   2.475
  186    HB3  PHE   2           HB1      PHE   2   5.270   1.885   1.386
  187    HD1  PHE   2           HD1      PHE   2   4.135  -0.012   0.814
  188    HD2  PHE   2           HD2      PHE   2   3.524   1.651   4.682
  189    HE1  PHE   2           HE1      PHE   2   2.519  -1.790   1.313
  190    HE2  PHE   2           HE2      PHE   2   1.912  -0.125   5.194
  191    HZ   PHE   2           HZ       PHE   2   1.404  -1.848   3.514
  192    H    CYS   3           HN       CYS   3   5.904   0.213   5.061
  193    HA   CYS   3           HA       CYS   3   7.687  -1.630   3.669
  194    HB2  CYS   3           HB2      CYS   3   7.470  -1.120   6.635
  195    HB3  CYS   3           HB1      CYS   3   8.384  -2.437   5.910
  196    H    TRP   4           HN       TRP   4   6.916  -3.643   3.473
  197    HA   TRP   4           HA       TRP   4   4.754  -4.589   5.115
  198    HB2  TRP   4           HB2      TRP   4   3.637  -3.230   3.354
  199    HB3  TRP   4           HB1      TRP   4   4.387  -4.216   2.121
  200    HD1  TRP   4           HD1      TRP   4   3.024  -6.299   1.378
  201    HE1  TRP   4           HE1      TRP   4   0.831  -7.429   2.189
  202    HE3  TRP   4          3HE       TRP   4   2.316  -3.704   5.698
  203    HZ2  TRP   4           HZ2      TRP   4  -0.920  -7.245   4.372
  204    HZ3  TRP   4           HZ3      TRP   4   0.368  -4.239   7.096
  205    HH2  TRP   4          2HH       TRP   4  -1.216  -5.972   6.443
  206    H    HIS   5           HN       HIS   5   5.003  -6.705   5.352
  207    HA   HIS   5           HA       HIS   5   5.944  -8.744   5.334
  208    HB2  HIS   5           HB2      HIS   5   5.575  -8.370   2.355
  209    HB3  HIS   5           HB1      HIS   5   6.085  -9.891   3.072
  210    HD1  HIS   5           HD1      HIS   5   3.360  -9.297   1.487
  211    HD2  HIS   5           HD2      HIS   5   3.834  -9.720   5.582
  212    HE1  HIS   5           HE1      HIS   5   1.105 -10.023   2.389
  213    H    HIS   6           HN       HIS   6   7.756  -6.739   5.684
  214    HA   HIS   6           HA       HIS   6   9.928  -6.527   6.074
  215    HB2  HIS   6           HB2      HIS   6  10.157  -9.259   4.819
  216    HB3  HIS   6           HB1      HIS   6  11.549  -8.397   5.451
  217    HD1  HIS   6           HD1      HIS   6  11.914  -8.531   8.019
  218    HD2  HIS   6           HD2      HIS   6   8.228 -10.009   6.768
  219    HE1  HIS   6           HE1      HIS   6  10.895  -9.644  10.017
  220    H    SER   7           HN       SER   7   8.654  -5.945   3.285
  221    HA   SER   7           HA       SER   7  11.235  -5.115   2.181
  222    HB2  SER   7           HB2      SER   7   8.683  -5.758   0.700
  223    HB3  SER   7           HB1      SER   7  10.150  -5.107  -0.045
  224    HG   SER   7           HG       SER   7  10.387  -7.387   1.525
  225    H    CYS   8           HN       CYS   8  11.375  -2.972   1.462
  226    HA   CYS   8           HA       CYS   8   9.150  -1.257   2.302
  227    HB2  CYS   8           HB2      CYS   8  12.084  -0.809   2.820
  228    HB3  CYS   8           HB1      CYS   8  10.790   0.318   3.203
  229    H    VAL   9           HN       VAL   9   8.678   0.346   0.982
  230    HA   VAL   9           HA       VAL   9  10.393   0.773  -1.331
  231    HB   VAL   9           HB       VAL   9   8.496   2.195  -2.223
  232   HG11  VAL   9          HG11      VAL   9   8.796  -0.098  -2.966
  233   HG12  VAL   9          HG12      VAL   9   7.081   0.311  -2.873
  234   HG13  VAL   9          3HG1      VAL   9   7.823  -0.667  -1.610
  235   HG21  VAL   9          HG21      VAL   9   7.376   2.710  -0.112
  236   HG22  VAL   9          HG22      VAL   9   6.969   1.007   0.098
  237   HG23  VAL   9          HG23      VAL   9   6.261   1.925  -1.231
  238    HA   PRO  10           HA       PRO  10  12.105   4.303   0.529
  239    HB2  PRO  10           HB2      PRO  10  12.790   5.748  -1.677
  240    HB3  PRO  10           HB1      PRO  10  13.676   4.321  -1.131
  241    HG2  PRO  10           HG2      PRO  10  11.606   4.549  -3.281
  242    HG3  PRO  10           HG1      PRO  10  13.138   3.657  -3.293
  243    HD2  PRO  10           HD2      PRO  10  10.777   2.444  -2.862
  244    HD3  PRO  10           HD1      PRO  10  12.271   1.905  -2.069
  245    H    SER  11           HN       SER  11  11.948   6.659   0.639
  246    HA   SER  11           HA       SER  11   9.310   7.510   0.864
  247    HB2  SER  11           HB2      SER  11  10.628   9.712   1.287
  248    HB3  SER  11           HB1      SER  11  10.830   8.360   2.402
  249    HG   SER  11           HG       SER  11  12.567   9.437   0.547
  250    H    GLY  12           HN       GLY  12   8.020   8.335  -0.676
  251    HA2  GLY  12           HA2      GLY  12   7.759  10.080  -2.369
  252    HA3  GLY  12           HA1      GLY  12   9.302   9.560  -3.036
  253    H    THR  13           HN       THR  13   8.105   6.766  -2.202
  254    HA   THR  13           HA       THR  13   7.222   6.060  -4.808
  255    HB   THR  13           HB       THR  13   6.960   4.511  -2.212
  256    HG1  THR  13           HG1      THR  13   9.084   4.741  -2.435
  257   HG21  THR  13          HG21      THR  13   6.953   3.595  -5.096
  258   HG22  THR  13          HG22      THR  13   5.557   3.627  -4.022
  259   HG23  THR  13          HG23      THR  13   6.899   2.532  -3.691
  260    H    CYS  14           HN       CYS  14   5.185   6.214  -5.586
  261    HA   CYS  14           HA       CYS  14   3.095   6.745  -3.637
  262    HB2  CYS  14           HB2      CYS  14   3.164   7.566  -6.553
  263    HB3  CYS  14           HB1      CYS  14   1.892   7.951  -5.407
  264    H    ALA  15           HN       ALA  15   1.034   5.594  -3.906
  265    HA   ALA  15           HA       ALA  15   1.064   3.569  -5.984
  266    HB1  ALA  15           HB1      ALA  15   0.420   1.842  -4.410
  267    HB2  ALA  15           HB2      ALA  15   0.542   2.992  -3.079
  268    HB3  ALA  15           HB3      ALA  15   1.988   2.524  -3.974
  269    H    ASP  16           HN       ASP  16  -0.893   2.968  -6.678
  270    HA   ASP  16           HA       ASP  16  -3.133   4.562  -5.715
  271    HB2  ASP  16           HB2      ASP  16  -4.246   4.128  -7.823
  272    HB3  ASP  16           HB1      ASP  16  -2.620   4.680  -8.168
  273    H    PHE  17           HN       PHE  17  -4.845   3.632  -4.804
  274    HA   PHE  17           HA       PHE  17  -4.923   0.715  -4.629
  275    HB2  PHE  17           HB2      PHE  17  -5.505   2.798  -2.508
  276    HB3  PHE  17           HB1      PHE  17  -5.875   1.092  -2.337
  277    HD1  PHE  17           HD1      PHE  17  -4.103  -0.535  -2.045
  278    HD2  PHE  17           HD2      PHE  17  -3.248   3.625  -2.319
  279    HE1  PHE  17           HE1      PHE  17  -1.872  -0.933  -1.106
  280    HE2  PHE  17           HE2      PHE  17  -1.015   3.230  -1.381
  281    HZ   PHE  17           HZ       PHE  17  -0.325   0.944  -0.776
  282    HA   PRO  18           HA       PRO  18  -9.235   1.118  -5.802
  283    HB2  PRO  18           HB2      PRO  18 -10.029  -0.593  -3.530
  284    HB3  PRO  18           HB1      PRO  18 -10.251  -0.865  -5.257
  285    HG2  PRO  18           HG2      PRO  18  -8.474  -2.268  -3.843
  286    HG3  PRO  18           HG1      PRO  18  -8.147  -1.786  -5.515
  287    HD2  PRO  18           HD2      PRO  18  -7.123  -0.608  -2.968
  288    HD3  PRO  18           HD1      PRO  18  -6.285  -0.884  -4.504
  289    H    TRP  19           HN       TRP  19 -11.374   1.646  -4.914
  290    HA   TRP  19           HA       TRP  19 -11.359   3.868  -3.137
  291    HB2  TRP  19           HB2      TRP  19 -12.883   3.889  -4.965
  292    HB3  TRP  19           HB1      TRP  19 -13.493   2.290  -4.571
  293    HD1  TRP  19           HD1      TRP  19 -15.011   2.128  -2.646
  294    HE1  TRP  19           HE1      TRP  19 -16.793   3.753  -1.540
  295    HE3  TRP  19          3HE       TRP  19 -13.114   6.406  -4.315
  296    HZ2  TRP  19           HZ2      TRP  19 -17.166   6.522  -1.433
  297    HZ3  TRP  19           HZ3      TRP  19 -14.155   8.510  -3.645
  298    HH2  TRP  19          2HH       TRP  19 -16.139   8.575  -2.258
  299    HA   PRO  20           HA       PRO  20 -12.650   4.894  -1.936
  300    HB2  PRO  20           HB2      PRO  20 -12.458   5.479   0.941
  301    HB3  PRO  20           HB1      PRO  20 -13.736   5.887  -0.213
  302    HG2  PRO  20           HG2      PRO  20 -14.175   4.037   1.584
  303    HG3  PRO  20           HG1      PRO  20 -14.656   3.867  -0.136
  304    HD2  PRO  20           HD2      PRO  20 -12.124   2.756   1.140
  305    HD3  PRO  20           HD1      PRO  20 -13.405   1.830   0.313
  306    H    LEU  21           HN       LEU  21 -10.013   3.280  -0.895
  307    HA   LEU  21           HA       LEU  21  -8.518   5.213   0.543
  308    HB2  LEU  21           HB2      LEU  21  -8.140   2.788   0.718
  309    HB3  LEU  21           HB1      LEU  21  -7.564   2.761  -0.933
  310    HG   LEU  21           HG       LEU  21  -5.602   4.061  -0.306
  311   HD11  LEU  21          HD11      LEU  21  -6.799   4.023   2.460
  312   HD12  LEU  21          HD12      LEU  21  -6.581   5.448   1.431
  313   HD13  LEU  21          HD13      LEU  21  -5.182   4.578   2.047
  314   HD21  LEU  21          HD21      LEU  21  -6.115   1.773   1.581
  315   HD22  LEU  21          HD22      LEU  21  -4.539   2.445   1.162
  316   HD23  LEU  21          HD23      LEU  21  -5.510   1.640  -0.071
  317    H    GLY  22           HN       GLY  22  -8.467   4.145  -2.817
  318    HA2  GLY  22           HA2      GLY  22  -8.011   5.317  -4.724
  319    HA3  GLY  22           HA1      GLY  22  -8.035   6.781  -3.756
  320    H    HIS  23           HN       HIS  23  -6.254   7.807  -4.391
  321    HA   HIS  23           HA       HIS  23  -3.799   6.308  -4.812
  322    HB2  HIS  23           HB2      HIS  23  -4.467   9.213  -5.343
  323    HB3  HIS  23           HB1      HIS  23  -2.890   8.497  -5.637
  324    HD1  HIS  23           HD1      HIS  23  -2.564   7.544  -7.997
  325    HD2  HIS  23           HD2      HIS  23  -6.567   7.980  -6.942
  326    HE1  HIS  23           HE1      HIS  23  -3.890   6.960 -10.034
  327    H    GLN  24           HN       GLN  24  -2.302   6.148  -3.332
  328    HA   GLN  24           HA       GLN  24  -2.133   8.203  -1.264
  329    HB2  GLN  24           HB2      GLN  24  -2.052   5.219  -0.847
  330    HB3  GLN  24           HB1      GLN  24  -1.568   6.392   0.362
  331    HG2  GLN  24           HG2      GLN  24  -4.321   6.173  -0.830
  332    HG3  GLN  24           HG1      GLN  24  -3.829   5.543   0.742
  333   HE21  GLN  24          1HE2      GLN  24  -5.832   7.553   0.025
  334   HE22  GLN  24          2HE2      GLN  24  -5.418   8.980   0.899
  335    H    CYS  25           HN       CYS  25  -0.197   9.026  -1.321
  336    HA   CYS  25           HA       CYS  25   1.874   7.373  -2.448
  337    HB2  CYS  25           HB2      CYS  25   1.512   9.641  -3.449
  338    HB3  CYS  25           HB1      CYS  25   1.967  10.351  -1.902
  339    H    PHE  26           HN       PHE  26   3.989   7.325  -1.328
  340    HA   PHE  26           HA       PHE  26   3.577   7.582   1.553
  341    HB2  PHE  26           HB2      PHE  26   5.369   5.634   0.091
  342    HB3  PHE  26           HB1      PHE  26   5.102   5.698   1.827
  343    HD1  PHE  26           HD1      PHE  26   2.674   5.338   2.631
  344    HD2  PHE  26           HD2      PHE  26   4.075   4.257  -1.235
  345    HE1  PHE  26           HE1      PHE  26   0.798   3.769   2.395
  346    HE2  PHE  26           HE2      PHE  26   2.208   2.690  -1.482
  347    HZ   PHE  26           HZ       PHE  26   0.558   2.444   0.341
  348    HA   PRO  27           HA       PRO  27   6.884  10.598   0.477
  349    HB2  PRO  27           HB2      PRO  27   5.957  11.883   2.960
  350    HB3  PRO  27           HB1      PRO  27   6.084  12.562   1.337
  351    HG2  PRO  27           HG2      PRO  27   3.695  12.047   2.415
  352    HG3  PRO  27           HG1      PRO  27   4.008  11.773   0.693
  353    HD2  PRO  27           HD2      PRO  27   3.964   9.788   2.937
  354    HD3  PRO  27           HD1      PRO  27   3.221   9.680   1.324
  355    H    ASP  28           HN       ASP  28   6.148   8.896   3.409
  356    HA   ASP  28           HA       ASP  28   8.897   9.225   4.403
  357    HB2  ASP  28           HB2      ASP  28   7.149   9.582   6.087
  358    HB3  ASP  28           HB1      ASP  28   6.422   8.032   5.712
  Start of MODEL   12
    1    H1   GLY   1           HN       GLY   1  -5.851  -7.490   4.795
    2    HA2  GLY   1           HA2      GLY   1  -6.978  -5.674   3.879
    3    HA3  GLY   1           HA1      GLY   1  -7.557  -5.259   5.493
    4    H    PHE   2           HN       PHE   2  -6.849  -3.073   4.591
    5    HA   PHE   2           HA       PHE   2  -4.314  -2.464   5.763
    6    HB2  PHE   2           HB2      PHE   2  -3.596  -3.237   3.542
    7    HB3  PHE   2           HB1      PHE   2  -4.695  -2.108   2.775
    8    HD1  PHE   2           HD1      PHE   2  -3.804  -0.166   1.977
    9    HD2  PHE   2           HD2      PHE   2  -1.921  -2.102   5.255
   10    HE1  PHE   2           HE1      PHE   2  -2.034   1.528   1.953
   11    HE2  PHE   2           HE2      PHE   2  -0.149  -0.414   5.241
   12    HZ   PHE   2           HZ       PHE   2  -0.203   1.410   3.585
   13    H    CYS   3           HN       CYS   3  -4.064  -0.225   6.095
   14    HA   CYS   3           HA       CYS   3  -6.250   1.523   5.295
   15    HB2  CYS   3           HB2      CYS   3  -5.174   1.169   8.095
   16    HB3  CYS   3           HB1      CYS   3  -6.259   2.453   7.590
   17    H    TRP   4           HN       TRP   4  -5.466   3.451   4.619
   18    HA   TRP   4           HA       TRP   4  -3.029   4.556   5.679
   19    HB2  TRP   4           HB2      TRP   4  -2.352   2.953   3.793
   20    HB3  TRP   4           HB1      TRP   4  -3.212   4.028   2.701
   21    HD1  TRP   4           HD1      TRP   4  -1.997   6.319   2.051
   22    HE1  TRP   4           HE1      TRP   4   0.421   7.174   2.401
   23    HE3  TRP   4          3HE       TRP   4  -0.412   2.874   5.476
   24    HZ2  TRP   4           HZ2      TRP   4   2.689   6.453   3.940
   25    HZ3  TRP   4           HZ3      TRP   4   1.887   3.024   6.330
   26    HH2  TRP   4          2HH       TRP   4   3.400   4.779   5.574
   27    H    HIS   5           HN       HIS   5  -3.035   6.803   5.358
   28    HA   HIS   5           HA       HIS   5  -3.925   8.849   5.133
   29    HB2  HIS   5           HB2      HIS   5  -3.342   8.337   2.739
   30    HB3  HIS   5           HB1      HIS   5  -4.978   7.747   2.499
   31    HD1  HIS   5           HD1      HIS   5  -6.415   9.448   1.359
   32    HD2  HIS   5           HD2      HIS   5  -3.461  11.180   3.700
   33    HE1  HIS   5           HE1      HIS   5  -6.723  11.936   1.135
   34    H    HIS   6           HN       HIS   6  -5.437   6.875   6.515
   35    HA   HIS   6           HA       HIS   6  -7.290   6.750   7.741
   36    HB2  HIS   6           HB2      HIS   6  -8.185   9.278   6.326
   37    HB3  HIS   6           HB1      HIS   6  -9.056   8.530   7.656
   38    HD1  HIS   6           HD1      HIS   6  -7.953   8.749  10.044
   39    HD2  HIS   6           HD2      HIS   6  -5.947  10.749   7.004
   40    HE1  HIS   6           HE1      HIS   6  -6.361  10.351  11.182
   41    H    SER   7           HN       SER   7  -7.148   5.941   4.642
   42    HA   SER   7           HA       SER   7  -9.970   5.234   4.463
   43    HB2  SER   7           HB2      SER   7  -7.757   5.103   2.386
   44    HB3  SER   7           HB1      SER   7  -9.464   4.831   2.079
   45    HG   SER   7           HG       SER   7  -9.376   7.123   3.249
   46    H    CYS   8           HN       CYS   8 -10.472   2.971   4.289
   47    HA   CYS   8           HA       CYS   8  -8.196   1.127   4.606
   48    HB2  CYS   8           HB2      CYS   8 -10.839   0.976   6.079
   49    HB3  CYS   8           HB1      CYS   8  -9.609  -0.275   6.066
   50    H    VAL   9           HN       VAL   9  -8.402  -0.873   3.954
   51    HA   VAL   9           HA       VAL   9 -10.457  -1.231   1.957
   52    HB   VAL   9           HB       VAL   9  -8.218  -0.347   1.226
   53   HG11  VAL   9          HG11      VAL   9  -7.335  -3.187   1.574
   54   HG12  VAL   9          HG12      VAL   9  -6.697  -1.749   2.365
   55   HG13  VAL   9          3HG1      VAL   9  -6.461  -1.978   0.630
   56   HG21  VAL   9          HG21      VAL   9  -8.263  -1.447  -0.892
   57   HG22  VAL   9          HG22      VAL   9  -9.876  -1.044  -0.273
   58   HG23  VAL   9          HG23      VAL   9  -9.287  -2.726  -0.216
   59    HA   PRO  10           HA       PRO  10 -11.018  -5.112   3.990
   60    HB2  PRO  10           HB2      PRO  10 -11.905  -6.560   1.854
   61    HB3  PRO  10           HB1      PRO  10 -12.893  -5.395   2.745
   62    HG2  PRO  10           HG2      PRO  10 -11.356  -5.022   0.203
   63    HG3  PRO  10           HG1      PRO  10 -13.019  -4.521   0.575
   64    HD2  PRO  10           HD2      PRO  10 -11.023  -2.734   0.699
   65    HD3  PRO  10           HD1      PRO  10 -12.295  -2.754   1.935
   66    H    SER  11           HN       SER  11 -10.394  -7.287   4.086
   67    HA   SER  11           HA       SER  11  -7.743  -7.874   3.366
   68    HB2  SER  11           HB2      SER  11  -8.462 -10.165   4.238
   69    HB3  SER  11           HB1      SER  11  -8.615  -8.816   5.363
   70    HG   SER  11           HG       SER  11 -10.508 -10.430   4.281
   71    H    GLY  12           HN       GLY  12  -6.961  -9.066   1.718
   72    HA2  GLY  12           HA2      GLY  12  -7.203 -10.657  -0.050
   73    HA3  GLY  12           HA1      GLY  12  -8.901 -10.207  -0.167
   74    H    THR  13           HN       THR  13  -7.703  -7.302   0.189
   75    HA   THR  13           HA       THR  13  -7.675  -6.680  -2.579
   76    HB   THR  13           HB       THR  13  -6.735  -5.005  -0.228
   77    HG1  THR  13           HG1      THR  13  -8.777  -5.303   0.259
   78   HG21  THR  13          HG21      THR  13  -7.750  -4.185  -2.958
   79   HG22  THR  13          HG22      THR  13  -6.062  -4.146  -2.454
   80   HG23  THR  13          HG23      THR  13  -7.239  -3.093  -1.669
   81    H    CYS  14           HN       CYS  14  -5.938  -6.384  -3.963
   82    HA   CYS  14           HA       CYS  14  -3.265  -6.680  -2.820
   83    HB2  CYS  14           HB2      CYS  14  -4.207  -7.797  -5.476
   84    HB3  CYS  14           HB1      CYS  14  -2.583  -7.916  -4.817
   85    H    ALA  15           HN       ALA  15  -1.818  -5.231  -3.512
   86    HA   ALA  15           HA       ALA  15  -2.806  -3.323  -5.486
   87    HB1  ALA  15           HB1      ALA  15  -2.931  -2.362  -3.247
   88    HB2  ALA  15           HB2      ALA  15  -1.729  -1.525  -4.231
   89    HB3  ALA  15           HB3      ALA  15  -1.215  -2.687  -3.008
   90    H    ASP  16           HN       ASP  16  -1.275  -2.319  -6.734
   91    HA   ASP  16           HA       ASP  16   1.082  -3.941  -7.254
   92    HB2  ASP  16           HB2      ASP  16  -0.440  -3.472  -9.108
   93    HB3  ASP  16           HB1      ASP  16  -0.257  -1.752  -8.835
   94    H    PHE  17           HN       PHE  17   2.861  -3.338  -6.254
   95    HA   PHE  17           HA       PHE  17   3.369  -0.493  -5.741
   96    HB2  PHE  17           HB2      PHE  17   4.365  -2.991  -4.392
   97    HB3  PHE  17           HB1      PHE  17   4.949  -1.377  -4.034
   98    HD1  PHE  17           HD1      PHE  17   3.544   0.184  -2.835
   99    HD2  PHE  17           HD2      PHE  17   2.289  -3.801  -3.586
  100    HE1  PHE  17           HE1      PHE  17   1.862   0.380  -1.067
  101    HE2  PHE  17           HE2      PHE  17   0.588  -3.597  -1.820
  102    HZ   PHE  17           HZ       PHE  17   0.393  -1.493  -0.558
  103    HA   PRO  18           HA       PRO  18   7.217  -0.977  -8.124
  104    HB2  PRO  18           HB2      PRO  18   8.598   0.536  -5.990
  105    HB3  PRO  18           HB1      PRO  18   8.413   0.952  -7.692
  106    HG2  PRO  18           HG2      PRO  18   7.083   2.290  -5.816
  107    HG3  PRO  18           HG1      PRO  18   6.316   1.897  -7.366
  108    HD2  PRO  18           HD2      PRO  18   6.025   0.526  -4.715
  109    HD3  PRO  18           HD1      PRO  18   4.770   0.996  -5.885
  110    H    TRP  19           HN       TRP  19   9.521  -1.710  -7.734
  111    HA   TRP  19           HA       TRP  19   9.695  -4.057  -6.161
  112    HB2  TRP  19           HB2      TRP  19  11.011  -3.489  -8.259
  113    HB3  TRP  19           HB1      TRP  19  11.952  -2.366  -7.291
  114    HD1  TRP  19           HD1      TRP  19  11.366  -6.096  -7.834
  115    HE1  TRP  19           HE1      TRP  19  13.360  -7.407  -6.917
  116    HE3  TRP  19          3HE       TRP  19  13.875  -2.246  -5.626
  117    HZ2  TRP  19           HZ2      TRP  19  15.725  -6.873  -5.448
  118    HZ3  TRP  19           HZ3      TRP  19  15.996  -2.722  -4.488
  119    HH2  TRP  19          2HH       TRP  19  16.904  -4.991  -4.400
  120    HA   PRO  20           HA       PRO  20  11.098  -5.215  -4.959
  121    HB2  PRO  20           HB2      PRO  20  11.595  -6.043  -2.338
  122    HB3  PRO  20           HB1      PRO  20  12.812  -5.664  -3.553
  123    HG2  PRO  20           HG2      PRO  20  12.315  -4.232  -1.159
  124    HG3  PRO  20           HG1      PRO  20  13.368  -3.740  -2.492
  125    HD2  PRO  20           HD2      PRO  20  10.560  -2.933  -1.894
  126    HD3  PRO  20           HD1      PRO  20  11.873  -1.994  -2.640
  127    H    LEU  21           HN       LEU  21   8.699  -3.601  -3.668
  128    HA   LEU  21           HA       LEU  21   7.327  -5.591  -2.136
  129    HB2  LEU  21           HB2      LEU  21   6.239  -3.102  -3.436
  130    HB3  LEU  21           HB1      LEU  21   5.418  -4.059  -2.218
  131    HG   LEU  21           HG       LEU  21   7.904  -2.395  -1.842
  132   HD11  LEU  21          HD11      LEU  21   6.500  -1.094  -0.337
  133   HD12  LEU  21          HD12      LEU  21   5.115  -2.101  -0.762
  134   HD13  LEU  21          HD13      LEU  21   5.876  -1.080  -1.986
  135   HD21  LEU  21          HD21      LEU  21   6.407  -4.070   0.151
  136   HD22  LEU  21          HD22      LEU  21   7.742  -2.970   0.512
  137   HD23  LEU  21          HD23      LEU  21   8.013  -4.390  -0.501
  138    H    GLY  22           HN       GLY  22   6.658  -4.163  -5.327
  139    HA2  GLY  22           HA2      GLY  22   5.788  -5.128  -7.251
  140    HA3  GLY  22           HA1      GLY  22   6.046  -6.706  -6.515
  141    H    HIS  23           HN       HIS  23   4.096  -7.729  -6.732
  142    HA   HIS  23           HA       HIS  23   1.758  -6.174  -6.061
  143    HB2  HIS  23           HB2      HIS  23   0.414  -8.205  -6.787
  144    HB3  HIS  23           HB1      HIS  23   1.351  -7.433  -8.043
  145    HD1  HIS  23           HD1      HIS  23   2.780  -8.981  -9.428
  146    HD2  HIS  23           HD2      HIS  23   1.571 -10.712  -5.854
  147    HE1  HIS  23           HE1      HIS  23   3.502 -11.387  -9.546
  148    H    GLN  24           HN       GLN  24   1.248  -5.948  -4.095
  149    HA   GLN  24           HA       GLN  24   1.698  -8.217  -2.333
  150    HB2  GLN  24           HB2      GLN  24   1.786  -5.289  -1.704
  151    HB3  GLN  24           HB1      GLN  24   1.655  -6.522  -0.454
  152    HG2  GLN  24           HG2      GLN  24   3.734  -7.533  -1.302
  153    HG3  GLN  24           HG1      GLN  24   3.877  -6.198  -2.444
  154   HE21  GLN  24          1HE2      GLN  24   5.531  -7.089  -0.227
  155   HE22  GLN  24          2HE2      GLN  24   5.735  -5.717   0.810
  156    H    CYS  25           HN       CYS  25   0.215  -8.958  -1.108
  157    HA   CYS  25           HA       CYS  25  -2.480  -7.884  -1.490
  158    HB2  CYS  25           HB2      CYS  25  -1.585 -10.717  -0.962
  159    HB3  CYS  25           HB1      CYS  25  -3.268 -10.193  -1.022
  160    H    PHE  26           HN       PHE  26  -3.732  -7.549   0.231
  161    HA   PHE  26           HA       PHE  26  -2.296  -7.484   2.782
  162    HB2  PHE  26           HB2      PHE  26  -4.885  -6.112   2.070
  163    HB3  PHE  26           HB1      PHE  26  -3.840  -5.774   3.443
  164    HD1  PHE  26           HD1      PHE  26  -1.362  -5.089   2.782
  165    HD2  PHE  26           HD2      PHE  26  -4.752  -4.766   0.239
  166    HE1  PHE  26           HE1      PHE  26  -0.192  -3.398   1.431
  167    HE2  PHE  26           HE2      PHE  26  -3.596  -3.085  -1.109
  168    HZ   PHE  26           HZ       PHE  26  -1.324  -2.403  -0.528
  169    HA   PRO  27           HA       PRO  27  -4.995 -11.071   3.539
  170    HB2  PRO  27           HB2      PRO  27  -3.331 -11.432   5.935
  171    HB3  PRO  27           HB1      PRO  27  -3.576 -12.534   4.579
  172    HG2  PRO  27           HG2      PRO  27  -1.239 -11.263   4.954
  173    HG3  PRO  27           HG1      PRO  27  -1.873 -11.595   3.333
  174    HD2  PRO  27           HD2      PRO  27  -1.937  -9.040   4.901
  175    HD3  PRO  27           HD1      PRO  27  -1.572  -9.310   3.179
  176    H    ASP  28           HN       ASP  28  -4.112  -8.556   5.754
  177    HA   ASP  28           HA       ASP  28  -6.540  -9.135   7.323
  178    HB2  ASP  28           HB2      ASP  28  -4.050  -7.617   8.104
  179    HB3  ASP  28           HB1      ASP  28  -5.494  -7.727   9.099
  180    H1   GLY   1           HN       GLY   1   7.087   7.283   3.373
  181    HA2  GLY   1           HA2      GLY   1   7.961   5.625   1.982
  182    HA3  GLY   1           HA1      GLY   1   9.035   5.125   3.291
  183    H    PHE   2           HN       PHE   2   8.006   3.012   2.290
  184    HA   PHE   2           HA       PHE   2   5.851   2.328   4.114
  185    HB2  PHE   2           HB2      PHE   2   4.769   2.990   2.004
  186    HB3  PHE   2           HB1      PHE   2   5.735   1.806   1.141
  187    HD1  PHE   2           HD1      PHE   2   4.716  -0.172   0.629
  188    HD2  PHE   2           HD2      PHE   2   3.459   1.960   4.077
  189    HE1  PHE   2           HE1      PHE   2   2.980  -1.857   1.030
  190    HE2  PHE   2           HE2      PHE   2   1.726   0.284   4.490
  191    HZ   PHE   2           HZ       PHE   2   1.477  -1.632   2.964
  192    H    CYS   3           HN       CYS   3   6.099   0.387   4.962
  193    HA   CYS   3           HA       CYS   3   7.962  -1.462   3.701
  194    HB2  CYS   3           HB2      CYS   3   7.773  -0.751   6.634
  195    HB3  CYS   3           HB1      CYS   3   8.732  -2.076   5.983
  196    H    TRP   4           HN       TRP   4   7.004  -3.310   3.313
  197    HA   TRP   4           HA       TRP   4   5.045  -4.403   5.127
  198    HB2  TRP   4           HB2      TRP   4   3.790  -2.883   3.538
  199    HB3  TRP   4           HB1      TRP   4   4.356  -3.898   2.223
  200    HD1  TRP   4           HD1      TRP   4   3.206  -6.314   1.970
  201    HE1  TRP   4           HE1      TRP   4   1.002  -7.255   2.860
  202    HE3  TRP   4          3HE       TRP   4   2.218  -2.796   5.541
  203    HZ2  TRP   4           HZ2      TRP   4  -0.929  -6.595   4.821
  204    HZ3  TRP   4           HZ3      TRP   4   0.166  -3.022   6.878
  205    HH2  TRP   4          2HH       TRP   4  -1.373  -4.881   6.522
  206    H    HIS   5           HN       HIS   5   5.099  -6.567   5.030
  207    HA   HIS   5           HA       HIS   5   5.789  -8.653   4.648
  208    HB2  HIS   5           HB2      HIS   5   4.455  -8.185   2.518
  209    HB3  HIS   5           HB1      HIS   5   5.991  -7.884   1.717
  210    HD1  HIS   5           HD1      HIS   5   6.896  -9.907   0.542
  211    HD2  HIS   5           HD2      HIS   5   4.428 -10.888   3.724
  212    HE1  HIS   5           HE1      HIS   5   6.762 -12.420   0.565
  213    H    HIS   6           HN       HIS   6   7.665  -6.783   5.397
  214    HA   HIS   6           HA       HIS   6   9.839  -6.598   5.890
  215    HB2  HIS   6           HB2      HIS   6  10.071  -9.307   4.552
  216    HB3  HIS   6           HB1      HIS   6  11.373  -8.536   5.453
  217    HD1  HIS   6           HD1      HIS   6  11.267  -8.712   8.032
  218    HD2  HIS   6           HD2      HIS   6   7.870 -10.154   6.118
  219    HE1  HIS   6           HE1      HIS   6   9.913  -9.884   9.795
  220    H    SER   7           HN       SER   7   8.853  -5.468   3.405
  221    HA   SER   7           HA       SER   7  11.480  -4.920   2.301
  222    HB2  SER   7           HB2      SER   7   9.016  -5.585   0.675
  223    HB3  SER   7           HB1      SER   7  10.519  -4.978  -0.027
  224    HG   SER   7           HG       SER   7  11.133  -6.987   1.543
  225    H    CYS   8           HN       CYS   8  11.666  -2.728   1.466
  226    HA   CYS   8           HA       CYS   8   9.427  -1.014   2.263
  227    HB2  CYS   8           HB2      CYS   8  12.366  -0.540   2.763
  228    HB3  CYS   8           HB1      CYS   8  11.072   0.601   3.084
  229    H    VAL   9           HN       VAL   9   9.077   0.758   1.067
  230    HA   VAL   9           HA       VAL   9  10.882   1.308  -1.181
  231    HB   VAL   9           HB       VAL   9   8.932   2.489  -2.297
  232   HG11  VAL   9          HG11      VAL   9   9.563   0.274  -3.020
  233   HG12  VAL   9          HG12      VAL   9   7.807   0.449  -3.075
  234   HG13  VAL   9          3HG1      VAL   9   8.569  -0.441  -1.754
  235   HG21  VAL   9          HG21      VAL   9   7.540   2.858  -0.322
  236   HG22  VAL   9          HG22      VAL   9   7.316   1.118  -0.150
  237   HG23  VAL   9          HG23      VAL   9   6.649   1.956  -1.550
  238    HA   PRO  10           HA       PRO  10  11.942   5.005   0.804
  239    HB2  PRO  10           HB2      PRO  10  12.397   6.719  -1.234
  240    HB3  PRO  10           HB1      PRO  10  13.458   5.354  -0.873
  241    HG2  PRO  10           HG2      PRO  10  11.255   5.537  -2.904
  242    HG3  PRO  10           HG1      PRO  10  12.902   4.920  -3.121
  243    HD2  PRO  10           HD2      PRO  10  10.843   3.265  -2.743
  244    HD3  PRO  10           HD1      PRO  10  12.430   2.929  -2.023
  245    H    SER  11           HN       SER  11  11.464   7.270   1.168
  246    HA   SER  11           HA       SER  11   8.722   7.810   1.319
  247    HB2  SER  11           HB2      SER  11   9.793  10.078   2.078
  248    HB3  SER  11           HB1      SER  11   9.984   8.638   3.083
  249    HG   SER  11           HG       SER  11  11.886  10.113   2.161
  250    H    GLY  12           HN       GLY  12   7.498   9.114   0.094
  251    HA2  GLY  12           HA2      GLY  12   7.200  10.873  -1.487
  252    HA3  GLY  12           HA1      GLY  12   8.794  10.507  -2.141
  253    H    THR  13           HN       THR  13   7.961   7.554  -1.814
  254    HA   THR  13           HA       THR  13   7.150   7.130  -4.472
  255    HB   THR  13           HB       THR  13   7.027   5.247  -2.095
  256    HG1  THR  13           HG1      THR  13   9.078   5.573  -2.186
  257   HG21  THR  13          HG21      THR  13   7.199   4.655  -5.065
  258   HG22  THR  13          HG22      THR  13   5.776   4.410  -4.054
  259   HG23  THR  13          HG23      THR  13   7.232   3.457  -3.770
  260    H    CYS  14           HN       CYS  14   5.131   6.729  -5.331
  261    HA   CYS  14           HA       CYS  14   2.837   6.794  -3.522
  262    HB2  CYS  14           HB2      CYS  14   2.971   8.005  -6.294
  263    HB3  CYS  14           HB1      CYS  14   1.616   8.068  -5.170
  264    H    ALA  15           HN       ALA  15   1.402   5.228  -3.877
  265    HA   ALA  15           HA       ALA  15   1.914   3.505  -6.185
  266    HB1  ALA  15           HB1      ALA  15   1.109   2.663  -3.406
  267    HB2  ALA  15           HB2      ALA  15   2.706   2.464  -4.118
  268    HB3  ALA  15           HB3      ALA  15   1.327   1.582  -4.786
  269    H    ASP  16           HN       ASP  16   0.103   2.592  -7.126
  270    HA   ASP  16           HA       ASP  16  -2.347   4.060  -6.627
  271    HB2  ASP  16           HB2      ASP  16  -1.649   3.875  -8.952
  272    HB3  ASP  16           HB1      ASP  16  -1.589   2.123  -8.824
  273    H    PHE  17           HN       PHE  17  -3.581   3.284  -5.075
  274    HA   PHE  17           HA       PHE  17  -3.793   0.405  -4.732
  275    HB2  PHE  17           HB2      PHE  17  -4.704   2.722  -3.023
  276    HB3  PHE  17           HB1      PHE  17  -5.037   1.040  -2.661
  277    HD1  PHE  17           HD1      PHE  17  -3.451  -0.298  -1.608
  278    HD2  PHE  17           HD2      PHE  17  -2.394   3.587  -2.942
  279    HE1  PHE  17           HE1      PHE  17  -1.421  -0.410  -0.283
  280    HE2  PHE  17           HE2      PHE  17  -0.332   3.485  -1.618
  281    HZ   PHE  17           HZ       PHE  17   0.158   1.480  -0.274
  282    HA   PRO  18           HA       PRO  18  -7.918   0.695  -6.423
  283    HB2  PRO  18           HB2      PRO  18  -8.858  -1.389  -4.604
  284    HB3  PRO  18           HB1      PRO  18  -8.612  -1.482  -6.348
  285    HG2  PRO  18           HG2      PRO  18  -7.045  -2.807  -4.575
  286    HG3  PRO  18           HG1      PRO  18  -6.445  -2.219  -6.135
  287    HD2  PRO  18           HD2      PRO  18  -6.119  -1.031  -3.408
  288    HD3  PRO  18           HD1      PRO  18  -4.941  -1.181  -4.723
  289    H    TRP  19           HN       TRP  19 -10.171   0.985  -5.706
  290    HA   TRP  19           HA       TRP  19 -10.562   2.849  -3.636
  291    HB2  TRP  19           HB2      TRP  19 -12.075   2.865  -5.476
  292    HB3  TRP  19           HB1      TRP  19 -12.404   1.148  -5.312
  293    HD1  TRP  19           HD1      TRP  19 -13.855   0.463  -3.424
  294    HE1  TRP  19           HE1      TRP  19 -15.887   1.573  -2.171
  295    HE3  TRP  19          3HE       TRP  19 -12.790   5.196  -4.511
  296    HZ2  TRP  19           HZ2      TRP  19 -16.781   4.193  -1.715
  297    HZ3  TRP  19           HZ3      TRP  19 -14.198   6.973  -3.604
  298    HH2  TRP  19          2HH       TRP  19 -16.152   6.500  -2.254
  299    HA   PRO  20           HA       PRO  20 -12.082   3.511  -2.358
  300    HB2  PRO  20           HB2      PRO  20 -11.847   3.810   0.557
  301    HB3  PRO  20           HB1      PRO  20 -13.230   4.139  -0.500
  302    HG2  PRO  20           HG2      PRO  20 -13.295   2.051   1.076
  303    HG3  PRO  20           HG1      PRO  20 -13.799   1.973  -0.641
  304    HD2  PRO  20           HD2      PRO  20 -11.075   1.199   0.472
  305    HD3  PRO  20           HD1      PRO  20 -12.204   0.153  -0.429
  306    H    LEU  21           HN       LEU  21  -9.116   2.351  -1.410
  307    HA   LEU  21           HA       LEU  21  -7.922   4.509  -0.046
  308    HB2  LEU  21           HB2      LEU  21  -6.568   2.438  -1.758
  309    HB3  LEU  21           HB1      LEU  21  -5.778   3.478  -0.595
  310    HG   LEU  21           HG       LEU  21  -7.688   1.220  -0.030
  311   HD11  LEU  21          HD11      LEU  21  -4.833   1.704   0.718
  312   HD12  LEU  21          HD12      LEU  21  -5.392   0.562  -0.520
  313   HD13  LEU  21          HD13      LEU  21  -5.798   0.309   1.187
  314   HD21  LEU  21          HD21      LEU  21  -6.441   3.168   1.880
  315   HD22  LEU  21          HD22      LEU  21  -7.315   1.703   2.324
  316   HD23  LEU  21          HD23      LEU  21  -8.158   3.015   1.504
  317    H    GLY  22           HN       GLY  22  -7.190   3.523  -3.389
  318    HA2  GLY  22           HA2      GLY  22  -7.187   4.999  -5.252
  319    HA3  GLY  22           HA1      GLY  22  -7.149   6.360  -4.142
  320    H    HIS  23           HN       HIS  23  -5.350   7.007  -5.682
  321    HA   HIS  23           HA       HIS  23  -2.911   5.554  -5.254
  322    HB2  HIS  23           HB2      HIS  23  -1.793   7.193  -6.685
  323    HB3  HIS  23           HB1      HIS  23  -3.295   6.710  -7.443
  324    HD1  HIS  23           HD1      HIS  23  -5.235   8.630  -7.480
  325    HD2  HIS  23           HD2      HIS  23  -1.462   9.829  -6.200
  326    HE1  HIS  23           HE1      HIS  23  -5.244  11.136  -7.522
  327    H    GLN  24           HN       GLN  24  -1.570   5.770  -3.640
  328    HA   GLN  24           HA       GLN  24  -1.906   8.145  -1.946
  329    HB2  GLN  24           HB2      GLN  24  -1.376   5.384  -0.856
  330    HB3  GLN  24           HB1      GLN  24  -1.844   6.831   0.023
  331    HG2  GLN  24           HG2      GLN  24  -4.029   6.764  -1.154
  332    HG3  GLN  24           HG1      GLN  24  -3.560   5.219  -1.852
  333   HE21  GLN  24          1HE2      GLN  24  -4.732   6.856   0.849
  334   HE22  GLN  24          2HE2      GLN  24  -4.960   5.492   1.888
  335    H    CYS  25           HN       CYS  25  -0.086   8.929  -1.034
  336    HA   CYS  25           HA       CYS  25   2.422   7.815  -2.013
  337    HB2  CYS  25           HB2      CYS  25   1.763  10.610  -1.075
  338    HB3  CYS  25           HB1      CYS  25   3.337  10.070  -1.654
  339    H    PHE  26           HN       PHE  26   4.118   7.569  -0.646
  340    HA   PHE  26           HA       PHE  26   3.324   7.279   2.166
  341    HB2  PHE  26           HB2      PHE  26   5.730   6.047   0.833
  342    HB3  PHE  26           HB1      PHE  26   4.977   5.574   2.350
  343    HD1  PHE  26           HD1      PHE  26   2.431   4.849   2.103
  344    HD2  PHE  26           HD2      PHE  26   5.303   4.806  -1.024
  345    HE1  PHE  26           HE1      PHE  26   1.079   3.204   0.889
  346    HE2  PHE  26           HE2      PHE  26   3.960   3.164  -2.248
  347    HZ   PHE  26           HZ       PHE  26   1.845   2.365  -1.298
  348    HA   PRO  27           HA       PRO  27   6.125  10.888   2.516
  349    HB2  PRO  27           HB2      PRO  27   5.396  11.518   5.092
  350    HB3  PRO  27           HB1      PRO  27   4.533  12.083   3.663
  351    HG2  PRO  27           HG2      PRO  27   3.872   9.869   5.524
  352    HG3  PRO  27           HG1      PRO  27   2.794  10.994   4.690
  353    HD2  PRO  27           HD2      PRO  27   3.177   8.421   3.897
  354    HD3  PRO  27           HD1      PRO  27   2.744   9.722   2.773
  355    H    ASP  28           HN       ASP  28   5.713   8.319   4.886
  356    HA   ASP  28           HA       ASP  28   8.461   8.749   5.843
  357    HB2  ASP  28           HB2      ASP  28   6.273   6.931   6.891
  358    HB3  ASP  28           HB1      ASP  28   7.892   7.009   7.554
  Start of MODEL   13
    1    H1   GLY   1           HN       GLY   1  -5.873  -7.563   4.401
    2    HA2  GLY   1           HA2      GLY   1  -7.216  -5.773   3.671
    3    HA3  GLY   1           HA1      GLY   1  -7.641  -5.435   5.348
    4    H    PHE   2           HN       PHE   2  -6.939  -3.219   4.274
    5    HA   PHE   2           HA       PHE   2  -4.322  -2.702   5.348
    6    HB2  PHE   2           HB2      PHE   2  -3.750  -3.397   3.054
    7    HB3  PHE   2           HB1      PHE   2  -4.866  -2.204   2.406
    8    HD1  PHE   2           HD1      PHE   2  -4.032  -0.156   1.762
    9    HD2  PHE   2           HD2      PHE   2  -1.893  -2.442   4.636
   10    HE1  PHE   2           HE1      PHE   2  -2.238   1.525   1.758
   11    HE2  PHE   2           HE2      PHE   2  -0.100  -0.765   4.632
   12    HZ   PHE   2           HZ       PHE   2  -0.270   1.219   3.193
   13    H    CYS   3           HN       CYS   3  -4.011  -0.544   5.851
   14    HA   CYS   3           HA       CYS   3  -6.223   1.266   5.318
   15    HB2  CYS   3           HB2      CYS   3  -4.960   0.679   7.994
   16    HB3  CYS   3           HB1      CYS   3  -6.019   2.041   7.670
   17    H    TRP   4           HN       TRP   4  -5.582   3.292   4.897
   18    HA   TRP   4           HA       TRP   4  -3.063   4.331   5.759
   19    HB2  TRP   4           HB2      TRP   4  -2.535   2.904   3.708
   20    HB3  TRP   4           HB1      TRP   4  -3.509   4.022   2.771
   21    HD1  TRP   4           HD1      TRP   4  -2.309   6.227   1.987
   22    HE1  TRP   4           HE1      TRP   4   0.063   7.190   2.297
   23    HE3  TRP   4          3HE       TRP   4  -0.555   2.963   5.501
   24    HZ2  TRP   4           HZ2      TRP   4   2.348   6.650   3.822
   25    HZ3  TRP   4           HZ3      TRP   4   1.742   3.262   6.333
   26    HH2  TRP   4          2HH       TRP   4   3.157   5.075   5.501
   27    H    HIS   5           HN       HIS   5  -3.180   6.532   5.802
   28    HA   HIS   5           HA       HIS   5  -4.110   8.579   5.942
   29    HB2  HIS   5           HB2      HIS   5  -5.241   7.795   3.250
   30    HB3  HIS   5           HB1      HIS   5  -5.421   9.402   3.937
   31    HD1  HIS   5           HD1      HIS   5  -3.723   8.292   1.337
   32    HD2  HIS   5           HD2      HIS   5  -2.332   9.830   4.921
   33    HE1  HIS   5           HE1      HIS   5  -1.403   9.174   0.867
   34    H    HIS   6           HN       HIS   6  -5.491   6.402   7.168
   35    HA   HIS   6           HA       HIS   6  -7.294   6.071   8.461
   36    HB2  HIS   6           HB2      HIS   6  -8.244   8.759   7.439
   37    HB3  HIS   6           HB1      HIS   6  -9.116   7.810   8.629
   38    HD1  HIS   6           HD1      HIS   6  -8.435   8.156  11.038
   39    HD2  HIS   6           HD2      HIS   6  -5.668   9.682   8.345
   40    HE1  HIS   6           HE1      HIS   6  -6.804   9.517  12.403
   41    H    SER   7           HN       SER   7  -7.220   5.685   5.334
   42    HA   SER   7           HA       SER   7 -10.023   4.907   5.145
   43    HB2  SER   7           HB2      SER   7  -7.958   5.425   3.007
   44    HB3  SER   7           HB1      SER   7  -9.635   4.979   2.672
   45    HG   SER   7           HG       SER   7  -8.742   7.328   2.803
   46    H    CYS   8           HN       CYS   8 -10.432   2.721   4.468
   47    HA   CYS   8           HA       CYS   8  -8.055   1.017   4.471
   48    HB2  CYS   8           HB2      CYS   8 -10.614   0.486   5.983
   49    HB3  CYS   8           HB1      CYS   8  -9.250  -0.616   5.856
   50    H    VAL   9           HN       VAL   9  -8.266  -0.947   3.444
   51    HA   VAL   9           HA       VAL   9 -10.622  -1.272   1.760
   52    HB   VAL   9           HB       VAL   9  -9.146  -2.547   0.141
   53   HG11  VAL   9          HG11      VAL   9  -9.813  -0.278  -0.371
   54   HG12  VAL   9          HG12      VAL   9  -8.156  -0.555  -0.917
   55   HG13  VAL   9          3HG1      VAL   9  -8.460   0.345   0.570
   56   HG21  VAL   9          HG21      VAL   9  -7.272  -3.035   1.635
   57   HG22  VAL   9          HG22      VAL   9  -6.899  -1.315   1.744
   58   HG23  VAL   9          HG23      VAL   9  -6.713  -2.161   0.208
   59    HA   PRO  10           HA       PRO  10 -11.332  -4.882   4.078
   60    HB2  PRO  10           HB2      PRO  10 -12.627  -6.414   2.220
   61    HB3  PRO  10           HB1      PRO  10 -13.376  -5.060   3.072
   62    HG2  PRO  10           HG2      PRO  10 -12.152  -5.122   0.340
   63    HG3  PRO  10           HG1      PRO  10 -13.673  -4.379   0.865
   64    HD2  PRO  10           HD2      PRO  10 -11.464  -2.929   0.501
   65    HD3  PRO  10           HD1      PRO  10 -12.598  -2.564   1.822
   66    H    SER  11           HN       SER  11 -10.855  -7.095   4.282
   67    HA   SER  11           HA       SER  11  -8.328  -7.895   3.501
   68    HB2  SER  11           HB2      SER  11 -10.650  -9.583   4.426
   69    HB3  SER  11           HB1      SER  11  -8.933  -9.977   4.564
   70    HG   SER  11           HG       SER  11  -9.647  -9.148   6.497
   71    H    GLY  12           HN       GLY  12  -7.617  -8.792   1.672
   72    HA2  GLY  12           HA2      GLY  12  -7.900 -10.601   0.064
   73    HA3  GLY  12           HA1      GLY  12  -9.571 -10.077  -0.123
   74    H    THR  13           HN       THR  13  -8.312  -7.254   0.147
   75    HA   THR  13           HA       THR  13  -8.212  -6.704  -2.618
   76    HB   THR  13           HB       THR  13  -7.291  -4.969  -0.309
   77    HG1  THR  13           HG1      THR  13  -9.374  -5.306   0.164
   78   HG21  THR  13          HG21      THR  13  -7.855  -3.109  -1.827
   79   HG22  THR  13          HG22      THR  13  -8.286  -4.267  -3.086
   80   HG23  THR  13          HG23      THR  13  -6.616  -4.146  -2.536
   81    H    CYS  14           HN       CYS  14  -6.528  -6.872  -3.960
   82    HA   CYS  14           HA       CYS  14  -3.871  -7.182  -2.814
   83    HB2  CYS  14           HB2      CYS  14  -4.797  -7.988  -5.583
   84    HB3  CYS  14           HB1      CYS  14  -3.261  -8.392  -4.836
   85    H    ALA  15           HN       ALA  15  -2.120  -5.865  -3.654
   86    HA   ALA  15           HA       ALA  15  -2.933  -3.840  -5.580
   87    HB1  ALA  15           HB1      ALA  15  -3.276  -2.874  -3.350
   88    HB2  ALA  15           HB2      ALA  15  -1.974  -2.063  -4.220
   89    HB3  ALA  15           HB3      ALA  15  -1.595  -3.224  -2.948
   90    H    ASP  16           HN       ASP  16  -1.167  -2.779  -6.579
   91    HA   ASP  16           HA       ASP  16   1.199  -4.471  -6.694
   92    HB2  ASP  16           HB2      ASP  16   1.720  -3.447  -8.840
   93    HB3  ASP  16           HB1      ASP  16   0.058  -4.000  -8.869
   94    H    PHE  17           HN       PHE  17   3.212  -3.675  -6.306
   95    HA   PHE  17           HA       PHE  17   3.462  -0.879  -5.534
   96    HB2  PHE  17           HB2      PHE  17   4.477  -3.286  -3.998
   97    HB3  PHE  17           HB1      PHE  17   5.001  -1.641  -3.699
   98    HD1  PHE  17           HD1      PHE  17   3.646  -0.129  -2.494
   99    HD2  PHE  17           HD2      PHE  17   2.225  -4.025  -3.413
  100    HE1  PHE  17           HE1      PHE  17   1.840   0.153  -0.868
  101    HE2  PHE  17           HE2      PHE  17   0.407  -3.750  -1.788
  102    HZ   PHE  17           HZ       PHE  17   0.215  -1.649  -0.512
  103    HA   PRO  18           HA       PRO  18   7.236  -1.370  -7.926
  104    HB2  PRO  18           HB2      PRO  18   8.595   0.524  -6.135
  105    HB3  PRO  18           HB1      PRO  18   8.178   0.719  -7.838
  106    HG2  PRO  18           HG2      PRO  18   6.926   2.108  -5.909
  107    HG3  PRO  18           HG1      PRO  18   6.088   1.559  -7.372
  108    HD2  PRO  18           HD2      PRO  18   6.068   0.366  -4.623
  109    HD3  PRO  18           HD1      PRO  18   4.721   0.638  -5.750
  110    H    TRP  19           HN       TRP  19   9.611  -1.819  -7.565
  111    HA   TRP  19           HA       TRP  19  10.022  -3.930  -5.734
  112    HB2  TRP  19           HB2      TRP  19  11.211  -3.490  -7.975
  113    HB3  TRP  19           HB1      TRP  19  12.155  -2.274  -7.129
  114    HD1  TRP  19           HD1      TRP  19  11.599  -6.066  -7.248
  115    HE1  TRP  19           HE1      TRP  19  13.652  -7.247  -6.278
  116    HE3  TRP  19          3HE       TRP  19  14.183  -1.967  -5.651
  117    HZ2  TRP  19           HZ2      TRP  19  16.083  -6.534  -5.013
  118    HZ3  TRP  19           HZ3      TRP  19  16.378  -2.300  -4.574
  119    HH2  TRP  19          2HH       TRP  19  17.302  -4.536  -4.261
  120    HA   PRO  20           HA       PRO  20  11.613  -4.818  -4.497
  121    HB2  PRO  20           HB2      PRO  20  12.182  -5.315  -1.826
  122    HB3  PRO  20           HB1      PRO  20  13.361  -4.937  -3.081
  123    HG2  PRO  20           HG2      PRO  20  12.696  -3.335  -0.833
  124    HG3  PRO  20           HG1      PRO  20  13.727  -2.882  -2.197
  125    HD2  PRO  20           HD2      PRO  20  10.859  -2.265  -1.698
  126    HD3  PRO  20           HD1      PRO  20  12.089  -1.310  -2.553
  127    H    LEU  21           HN       LEU  21   8.977  -3.411  -3.523
  128    HA   LEU  21           HA       LEU  21   7.934  -5.438  -1.759
  129    HB2  LEU  21           HB2      LEU  21   6.624  -3.061  -3.068
  130    HB3  LEU  21           HB1      LEU  21   5.802  -4.148  -1.966
  131    HG   LEU  21           HG       LEU  21   8.182  -2.430  -1.237
  132   HD11  LEU  21          HD11      LEU  21   6.610  -1.165   0.071
  133   HD12  LEU  21          HD12      LEU  21   5.274  -2.138  -0.552
  134   HD13  LEU  21          HD13      LEU  21   6.191  -1.082  -1.644
  135   HD21  LEU  21          HD21      LEU  21   7.679  -3.089   1.031
  136   HD22  LEU  21          HD22      LEU  21   7.998  -4.509   0.024
  137   HD23  LEU  21          HD23      LEU  21   6.347  -4.087   0.453
  138    H    GLY  22           HN       GLY  22   6.963  -4.238  -4.962
  139    HA2  GLY  22           HA2      GLY  22   6.366  -5.521  -6.816
  140    HA3  GLY  22           HA1      GLY  22   6.549  -6.974  -5.836
  141    H    HIS  23           HN       HIS  23   4.500  -7.732  -6.655
  142    HA   HIS  23           HA       HIS  23   2.181  -6.149  -5.964
  143    HB2  HIS  23           HB2      HIS  23   2.448  -8.825  -7.368
  144    HB3  HIS  23           HB1      HIS  23   0.905  -8.069  -6.998
  145    HD1  HIS  23           HD1      HIS  23   0.089  -7.471  -9.338
  146    HD2  HIS  23           HD2      HIS  23   3.989  -6.247  -8.638
  147    HE1  HIS  23           HE1      HIS  23   0.769  -6.150 -11.360
  148    H    GLN  24           HN       GLN  24   1.228  -6.298  -4.100
  149    HA   GLN  24           HA       GLN  24   1.665  -8.708  -2.487
  150    HB2  GLN  24           HB2      GLN  24   1.764  -5.843  -1.543
  151    HB3  GLN  24           HB1      GLN  24   1.823  -7.251  -0.492
  152    HG2  GLN  24           HG2      GLN  24   3.921  -7.945  -1.504
  153    HG3  GLN  24           HG1      GLN  24   3.855  -6.578  -2.612
  154   HE21  GLN  24          1HE2      GLN  24   2.854  -4.776  -0.536
  155   HE22  GLN  24          2HE2      GLN  24   4.218  -4.448   0.479
  156    H    CYS  25           HN       CYS  25  -0.101  -9.429  -1.441
  157    HA   CYS  25           HA       CYS  25  -2.479  -7.844  -1.894
  158    HB2  CYS  25           HB2      CYS  25  -2.375 -10.058  -3.094
  159    HB3  CYS  25           HB1      CYS  25  -2.370 -10.845  -1.521
  160    H    PHE  26           HN       PHE  26  -4.079  -7.800  -0.188
  161    HA   PHE  26           HA       PHE  26  -2.769  -8.221   2.398
  162    HB2  PHE  26           HB2      PHE  26  -4.814  -6.135   1.645
  163    HB3  PHE  26           HB1      PHE  26  -4.094  -6.338   3.236
  164    HD1  PHE  26           HD1      PHE  26  -1.615  -5.993   3.483
  165    HD2  PHE  26           HD2      PHE  26  -3.759  -4.869  -0.013
  166    HE1  PHE  26           HE1      PHE  26   0.221  -4.493   2.845
  167    HE2  PHE  26           HE2      PHE  26  -1.935  -3.369  -0.660
  168    HZ   PHE  26           HZ       PHE  26   0.074  -3.184   0.781
  169    HA   PRO  27           HA       PRO  27  -6.418 -10.988   2.693
  170    HB2  PRO  27           HB2      PRO  27  -4.718 -12.449   4.581
  171    HB3  PRO  27           HB1      PRO  27  -5.455 -13.024   3.085
  172    HG2  PRO  27           HG2      PRO  27  -2.800 -12.662   3.306
  173    HG3  PRO  27           HG1      PRO  27  -3.665 -12.366   1.786
  174    HD2  PRO  27           HD2      PRO  27  -2.743 -10.401   3.856
  175    HD3  PRO  27           HD1      PRO  27  -2.613 -10.315   2.083
  176    H    ASP  28           HN       ASP  28  -4.576  -9.167   4.858
  177    HA   ASP  28           HA       ASP  28  -6.460  -9.473   7.093
  178    HB2  ASP  28           HB2      ASP  28  -4.096  -9.488   7.695
  179    HB3  ASP  28           HB1      ASP  28  -3.836  -7.970   6.849
  180    H1   GLY   1           HN       GLY   1   7.101   7.373   2.980
  181    HA2  GLY   1           HA2      GLY   1   7.678   5.584   1.648
  182    HA3  GLY   1           HA1      GLY   1   8.830   5.085   2.887
  183    H    PHE   2           HN       PHE   2   7.946   2.941   2.340
  184    HA   PHE   2           HA       PHE   2   5.857   2.284   4.211
  185    HB2  PHE   2           HB2      PHE   2   4.565   2.784   2.166
  186    HB3  PHE   2           HB1      PHE   2   5.558   1.659   1.255
  187    HD1  PHE   2           HD1      PHE   2   4.766  -0.479   0.936
  188    HD2  PHE   2           HD2      PHE   2   3.375   1.757   4.269
  189    HE1  PHE   2           HE1      PHE   2   3.223  -2.303   1.503
  190    HE2  PHE   2           HE2      PHE   2   1.832  -0.055   4.846
  191    HZ   PHE   2           HZ       PHE   2   1.750  -2.095   3.460
  192    H    CYS   3           HN       CYS   3   6.055   0.179   4.933
  193    HA   CYS   3           HA       CYS   3   8.168  -1.407   3.719
  194    HB2  CYS   3           HB2      CYS   3   7.724  -0.879   6.660
  195    HB3  CYS   3           HB1      CYS   3   8.832  -2.078   6.002
  196    H    TRP   4           HN       TRP   4   7.677  -3.488   3.519
  197    HA   TRP   4           HA       TRP   4   5.728  -4.780   5.156
  198    HB2  TRP   4           HB2      TRP   4   4.424  -3.525   3.362
  199    HB3  TRP   4           HB1      TRP   4   5.191  -4.563   2.178
  200    HD1  TRP   4           HD1      TRP   4   4.294  -7.118   2.079
  201    HE1  TRP   4           HE1      TRP   4   2.162  -8.220   2.998
  202    HE3  TRP   4          3HE       TRP   4   2.830  -3.459   5.330
  203    HZ2  TRP   4           HZ2      TRP   4   0.123  -7.616   4.859
  204    HZ3  TRP   4           HZ3      TRP   4   0.779  -3.798   6.641
  205    HH2  TRP   4          2HH       TRP   4  -0.545  -5.835   6.409
  206    H    HIS   5           HN       HIS   5   6.241  -6.917   5.216
  207    HA   HIS   5           HA       HIS   5   7.492  -8.796   5.046
  208    HB2  HIS   5           HB2      HIS   5   7.481  -8.043   2.110
  209    HB3  HIS   5           HB1      HIS   5   8.180  -9.541   2.709
  210    HD1  HIS   5           HD1      HIS   5   5.655  -9.275   0.750
  211    HD2  HIS   5           HD2      HIS   5   5.581 -10.109   4.815
  212    HE1  HIS   5           HE1      HIS   5   3.496 -10.514   1.172
  213    H    HIS   6           HN       HIS   6   8.732  -6.295   5.626
  214    HA   HIS   6           HA       HIS   6  10.716  -5.482   6.232
  215    HB2  HIS   6           HB2      HIS   6  11.786  -8.165   5.326
  216    HB3  HIS   6           HB1      HIS   6  12.806  -6.919   6.028
  217    HD1  HIS   6           HD1      HIS   6  13.058  -7.049   8.525
  218    HD2  HIS   6           HD2      HIS   6   9.662  -9.015   7.163
  219    HE1  HIS   6           HE1      HIS   6  12.062  -8.180  10.533
  220    H    SER   7           HN       SER   7   9.680  -5.507   3.294
  221    HA   SER   7           HA       SER   7  12.124  -4.407   2.170
  222    HB2  SER   7           HB2      SER   7   9.515  -5.237   0.904
  223    HB3  SER   7           HB1      SER   7  10.918  -4.615   0.017
  224    HG   SER   7           HG       SER   7  11.644  -6.629   1.612
  225    H    CYS   8           HN       CYS   8  12.113  -2.235   1.672
  226    HA   CYS   8           HA       CYS   8   9.686  -0.771   2.384
  227    HB2  CYS   8           HB2      CYS   8  12.523  -0.053   3.108
  228    HB3  CYS   8           HB1      CYS   8  11.110   0.950   3.398
  229    H    VAL   9           HN       VAL   9   9.202   0.897   1.150
  230    HA   VAL   9           HA       VAL   9  11.036   1.560  -1.023
  231    HB   VAL   9           HB       VAL   9   9.051   2.638  -2.151
  232   HG11  VAL   9          HG11      VAL   9   7.981   0.549  -2.881
  233   HG12  VAL   9          HG12      VAL   9   8.744  -0.294  -1.532
  234   HG13  VAL   9          3HG1      VAL   9   9.739   0.407  -2.808
  235   HG21  VAL   9          HG21      VAL   9   7.646   3.019  -0.181
  236   HG22  VAL   9          HG22      VAL   9   7.467   1.279   0.037
  237   HG23  VAL   9          HG23      VAL   9   6.779   2.062  -1.385
  238    HA   PRO  10           HA       PRO  10  11.939   5.252   1.118
  239    HB2  PRO  10           HB2      PRO  10  12.603   6.892  -0.957
  240    HB3  PRO  10           HB1      PRO  10  13.651   5.603  -0.352
  241    HG2  PRO  10           HG2      PRO  10  11.803   5.592  -2.700
  242    HG3  PRO  10           HG1      PRO  10  13.462   4.975  -2.584
  243    HD2  PRO  10           HD2      PRO  10  11.340   3.334  -2.442
  244    HD3  PRO  10           HD1      PRO  10  12.800   3.049  -1.474
  245    H    SER  11           HN       SER  11  11.382   7.519   1.315
  246    HA   SER  11           HA       SER  11   8.610   7.983   1.157
  247    HB2  SER  11           HB2      SER  11  10.862   9.929   1.658
  248    HB3  SER  11           HB1      SER  11   9.189  10.052   2.213
  249    HG   SER  11           HG       SER  11  10.466   9.288   3.874
  250    H    GLY  12           HN       GLY  12   7.490   8.972  -0.449
  251    HA2  GLY  12           HA2      GLY  12   7.427  10.648  -2.220
  252    HA3  GLY  12           HA1      GLY  12   9.065  10.159  -2.637
  253    H    THR  13           HN       THR  13   7.959   7.339  -1.949
  254    HA   THR  13           HA       THR  13   7.365   6.627  -4.650
  255    HB   THR  13           HB       THR  13   7.103   4.943  -2.134
  256    HG1  THR  13           HG1      THR  13   9.189   5.431  -2.148
  257   HG21  THR  13          HG21      THR  13   7.504   4.163  -5.031
  258   HG22  THR  13          HG22      THR  13   6.002   3.991  -4.126
  259   HG23  THR  13          HG23      THR  13   7.420   3.047  -3.667
  260    H    CYS  14           HN       CYS  14   5.350   6.243  -5.535
  261    HA   CYS  14           HA       CYS  14   3.066   6.540  -3.743
  262    HB2  CYS  14           HB2      CYS  14   3.213   7.364  -6.659
  263    HB3  CYS  14           HB1      CYS  14   1.847   7.599  -5.575
  264    H    ALA  15           HN       ALA  15   1.216   5.280  -4.247
  265    HA   ALA  15           HA       ALA  15   1.693   3.080  -6.078
  266    HB1  ALA  15           HB1      ALA  15   0.827   2.743  -3.208
  267    HB2  ALA  15           HB2      ALA  15   2.381   2.257  -3.888
  268    HB3  ALA  15           HB3      ALA  15   0.898   1.456  -4.412
  269    H    ASP  16           HN       ASP  16  -0.160   2.220  -6.932
  270    HA   ASP  16           HA       ASP  16  -2.472   3.996  -6.697
  271    HB2  ASP  16           HB2      ASP  16  -1.946   1.821  -8.738
  272    HB3  ASP  16           HB1      ASP  16  -3.269   2.976  -8.774
  273    H    PHE  17           HN       PHE  17  -3.819   3.373  -5.168
  274    HA   PHE  17           HA       PHE  17  -4.313   0.520  -4.768
  275    HB2  PHE  17           HB2      PHE  17  -4.907   2.936  -3.054
  276    HB3  PHE  17           HB1      PHE  17  -5.421   1.306  -2.670
  277    HD1  PHE  17           HD1      PHE  17  -3.769  -0.378  -2.065
  278    HD2  PHE  17           HD2      PHE  17  -2.720   3.693  -2.634
  279    HE1  PHE  17           HE1      PHE  17  -1.698  -0.750  -0.812
  280    HE2  PHE  17           HE2      PHE  17  -0.632   3.338  -1.384
  281    HZ   PHE  17           HZ       PHE  17  -0.124   1.105  -0.466
  282    HA   PRO  18           HA       PRO  18  -8.497   1.343  -6.184
  283    HB2  PRO  18           HB2      PRO  18  -9.688  -0.513  -4.298
  284    HB3  PRO  18           HB1      PRO  18  -9.429  -0.734  -6.028
  285    HG2  PRO  18           HG2      PRO  18  -8.092  -2.145  -4.109
  286    HG3  PRO  18           HG1      PRO  18  -7.450  -1.818  -5.727
  287    HD2  PRO  18           HD2      PRO  18  -6.853  -0.446  -3.138
  288    HD3  PRO  18           HD1      PRO  18  -5.753  -0.897  -4.457
  289    H    TRP  19           HN       TRP  19 -10.647   2.003  -5.322
  290    HA   TRP  19           HA       TRP  19 -10.617   3.951  -3.286
  291    HB2  TRP  19           HB2      TRP  19 -12.302   4.108  -4.969
  292    HB3  TRP  19           HB1      TRP  19 -12.816   2.451  -4.714
  293    HD1  TRP  19           HD1      TRP  19 -14.122   2.002  -2.623
  294    HE1  TRP  19           HE1      TRP  19 -15.908   3.378  -1.260
  295    HE3  TRP  19          3HE       TRP  19 -12.717   6.543  -4.122
  296    HZ2  TRP  19           HZ2      TRP  19 -16.505   6.118  -0.910
  297    HZ3  TRP  19           HZ3      TRP  19 -13.856   8.504  -3.209
  298    HH2  TRP  19          2HH       TRP  19 -15.714   8.310  -1.658
  299    HA   PRO  20           HA       PRO  20 -11.877   4.848  -1.879
  300    HB2  PRO  20           HB2      PRO  20 -11.389   5.173   1.011
  301    HB3  PRO  20           HB1      PRO  20 -12.776   5.680   0.034
  302    HG2  PRO  20           HG2      PRO  20 -13.053   3.659   1.670
  303    HG3  PRO  20           HG1      PRO  20 -13.670   3.636  -0.015
  304    HD2  PRO  20           HD2      PRO  20 -11.028   2.467   0.944
  305    HD3  PRO  20           HD1      PRO  20 -12.363   1.592   0.145
  306    H    LEU  21           HN       LEU  21  -9.122   3.232  -1.183
  307    HA   LEU  21           HA       LEU  21  -7.442   5.257  -0.103
  308    HB2  LEU  21           HB2      LEU  21  -6.729   2.751  -1.615
  309    HB3  LEU  21           HB1      LEU  21  -5.555   3.802  -0.849
  310    HG   LEU  21           HG       LEU  21  -7.697   2.214   0.557
  311   HD11  LEU  21          HD11      LEU  21  -5.877   0.827  -0.273
  312   HD12  LEU  21          HD12      LEU  21  -5.839   0.980   1.491
  313   HD13  LEU  21          HD13      LEU  21  -4.711   1.907   0.504
  314   HD21  LEU  21          HD21      LEU  21  -6.594   2.948   2.602
  315   HD22  LEU  21          HD22      LEU  21  -7.278   4.279   1.669
  316   HD23  LEU  21          HD23      LEU  21  -5.539   3.994   1.641
  317    H    GLY  22           HN       GLY  22  -7.548   3.904  -3.375
  318    HA2  GLY  22           HA2      GLY  22  -7.337   4.983  -5.400
  319    HA3  GLY  22           HA1      GLY  22  -7.370   6.518  -4.540
  320    H    HIS  23           HN       HIS  23  -5.700   7.381  -5.742
  321    HA   HIS  23           HA       HIS  23  -3.156   5.993  -5.885
  322    HB2  HIS  23           HB2      HIS  23  -3.800   8.824  -6.796
  323    HB3  HIS  23           HB1      HIS  23  -2.440   7.832  -7.301
  324    HD1  HIS  23           HD1      HIS  23  -3.021   5.848  -9.069
  325    HD2  HIS  23           HD2      HIS  23  -6.132   8.472  -8.176
  326    HE1  HIS  23           HE1      HIS  23  -4.801   5.446 -10.789
  327    H    GLN  24           HN       GLN  24  -1.820   6.114  -4.179
  328    HA   GLN  24           HA       GLN  24  -1.900   8.551  -2.538
  329    HB2  GLN  24           HB2      GLN  24  -1.913   5.705  -1.581
  330    HB3  GLN  24           HB1      GLN  24  -1.558   7.077  -0.546
  331    HG2  GLN  24           HG2      GLN  24  -3.780   7.988  -0.965
  332    HG3  GLN  24           HG1      GLN  24  -4.135   6.638  -2.040
  333   HE21  GLN  24          1HE2      GLN  24  -2.818   4.678  -0.388
  334   HE22  GLN  24          2HE2      GLN  24  -3.831   4.454   0.991
  335    H    CYS  25           HN       CYS  25   0.030   9.069  -1.444
  336    HA   CYS  25           HA       CYS  25   2.328   7.608  -2.442
  337    HB2  CYS  25           HB2      CYS  25   2.132  10.545  -1.734
  338    HB3  CYS  25           HB1      CYS  25   3.594   9.715  -2.257
  339    H    PHE  26           HN       PHE  26   4.186   7.605  -0.982
  340    HA   PHE  26           HA       PHE  26   3.229   7.314   1.775
  341    HB2  PHE  26           HB2      PHE  26   5.602   6.001   0.455
  342    HB3  PHE  26           HB1      PHE  26   4.985   5.669   2.066
  343    HD1  PHE  26           HD1      PHE  26   2.446   4.931   2.120
  344    HD2  PHE  26           HD2      PHE  26   5.013   4.611  -1.250
  345    HE1  PHE  26           HE1      PHE  26   0.997   3.182   1.187
  346    HE2  PHE  26           HE2      PHE  26   3.575   2.868  -2.189
  347    HZ   PHE  26           HZ       PHE  26   1.559   2.157  -0.978
  348    HA   PRO  27           HA       PRO  27   5.901  10.994   2.276
  349    HB2  PRO  27           HB2      PRO  27   4.771  10.852   5.006
  350    HB3  PRO  27           HB1      PRO  27   4.776  12.198   3.863
  351    HG2  PRO  27           HG2      PRO  27   2.537  10.847   4.377
  352    HG3  PRO  27           HG1      PRO  27   2.901  11.427   2.742
  353    HD2  PRO  27           HD2      PRO  27   3.162   8.670   3.876
  354    HD3  PRO  27           HD1      PRO  27   2.566   9.192   2.286
  355    H    ASP  28           HN       ASP  28   5.623   8.292   4.519
  356    HA   ASP  28           HA       ASP  28   8.438   8.745   5.323
  357    HB2  ASP  28           HB2      ASP  28   6.292   7.111   6.710
  358    HB3  ASP  28           HB1      ASP  28   7.963   7.234   7.235
  Start of MODEL   14
    1    H1   GLY   1           HN       GLY   1  -5.685  -7.663   4.787
    2    HA2  GLY   1           HA2      GLY   1  -6.867  -5.886   3.853
    3    HA3  GLY   1           HA1      GLY   1  -7.406  -5.423   5.468
    4    H    PHE   2           HN       PHE   2  -6.746  -3.275   4.412
    5    HA   PHE   2           HA       PHE   2  -4.157  -2.580   5.450
    6    HB2  PHE   2           HB2      PHE   2  -3.532  -3.388   3.229
    7    HB3  PHE   2           HB1      PHE   2  -4.731  -2.343   2.487
    8    HD1  PHE   2           HD1      PHE   2  -4.052  -0.312   1.656
    9    HD2  PHE   2           HD2      PHE   2  -1.756  -2.174   4.704
   10    HE1  PHE   2           HE1      PHE   2  -2.379   1.473   1.477
   11    HE2  PHE   2           HE2      PHE   2  -0.081  -0.400   4.532
   12    HZ   PHE   2           HZ       PHE   2  -0.386   1.432   2.916
   13    H    CYS   3           HN       CYS   3  -3.972  -0.371   5.851
   14    HA   CYS   3           HA       CYS   3  -6.131   1.360   5.003
   15    HB2  CYS   3           HB2      CYS   3  -5.166   1.047   7.857
   16    HB3  CYS   3           HB1      CYS   3  -6.255   2.301   7.286
   17    H    TRP   4           HN       TRP   4  -5.393   3.359   4.565
   18    HA   TRP   4           HA       TRP   4  -2.884   4.263   5.629
   19    HB2  TRP   4           HB2      TRP   4  -2.362   2.868   3.563
   20    HB3  TRP   4           HB1      TRP   4  -3.231   4.069   2.627
   21    HD1  TRP   4           HD1      TRP   4  -1.825   6.111   1.841
   22    HE1  TRP   4           HE1      TRP   4   0.567   6.956   2.298
   23    HE3  TRP   4          3HE       TRP   4  -0.569   2.916   5.607
   24    HZ2  TRP   4           HZ2      TRP   4   2.698   6.339   4.057
   25    HZ3  TRP   4           HZ3      TRP   4   1.659   3.105   6.627
   26    HH2  TRP   4          2HH       TRP   4   3.254   4.780   5.865
   27    H    HIS   5           HN       HIS   5  -3.013   6.395   5.905
   28    HA   HIS   5           HA       HIS   5  -3.980   8.385   6.195
   29    HB2  HIS   5           HB2      HIS   5  -4.366   8.050   3.224
   30    HB3  HIS   5           HB1      HIS   5  -4.782   9.543   4.063
   31    HD1  HIS   5           HD1      HIS   5  -2.197   8.437   2.062
   32    HD2  HIS   5           HD2      HIS   5  -2.269  10.146   5.841
   33    HE1  HIS   5           HE1      HIS   5   0.098   9.434   2.430
   34    H    HIS   6           HN       HIS   6  -5.527   6.280   6.905
   35    HA   HIS   6           HA       HIS   6  -7.476   5.899   7.902
   36    HB2  HIS   6           HB2      HIS   6  -8.264   8.671   6.985
   37    HB3  HIS   6           HB1      HIS   6  -9.248   7.665   8.041
   38    HD1  HIS   6           HD1      HIS   6  -8.498   7.496  10.535
   39    HD2  HIS   6           HD2      HIS   6  -5.964   9.748   8.136
   40    HE1  HIS   6           HE1      HIS   6  -6.925   8.698  12.097
   41    H    SER   7           HN       SER   7  -7.070   5.647   4.819
   42    HA   SER   7           HA       SER   7  -9.847   4.893   4.315
   43    HB2  SER   7           HB2      SER   7  -7.541   5.319   2.414
   44    HB3  SER   7           HB1      SER   7  -9.196   4.912   1.937
   45    HG   SER   7           HG       SER   7  -9.411   6.967   3.506
   46    H    CYS   8           HN       CYS   8 -10.284   2.710   3.876
   47    HA   CYS   8           HA       CYS   8  -7.985   0.915   4.185
   48    HB2  CYS   8           HB2      CYS   8 -10.682   0.630   5.495
   49    HB3  CYS   8           HB1      CYS   8  -9.379  -0.543   5.570
   50    H    VAL   9           HN       VAL   9  -8.210  -1.149   3.400
   51    HA   VAL   9           HA       VAL   9 -10.446  -1.703   1.620
   52    HB   VAL   9           HB       VAL   9  -8.864  -2.995   0.134
   53   HG11  VAL   9          HG11      VAL   9  -9.612  -0.798  -0.562
   54   HG12  VAL   9          HG12      VAL   9  -7.939  -1.053  -1.055
   55   HG13  VAL   9          3HG1      VAL   9  -8.301  -0.043   0.344
   56   HG21  VAL   9          HG21      VAL   9  -6.719  -1.554   1.698
   57   HG22  VAL   9          HG22      VAL   9  -6.453  -2.501   0.232
   58   HG23  VAL   9          HG23      VAL   9  -7.018  -3.293   1.705
   59    HA   PRO  10           HA       PRO  10 -10.916  -5.276   4.140
   60    HB2  PRO  10           HB2      PRO  10 -11.995  -7.012   2.345
   61    HB3  PRO  10           HB1      PRO  10 -12.900  -5.692   3.084
   62    HG2  PRO  10           HG2      PRO  10 -11.568  -5.818   0.410
   63    HG3  PRO  10           HG1      PRO  10 -13.174  -5.183   0.821
   64    HD2  PRO  10           HD2      PRO  10 -11.086  -3.563   0.420
   65    HD3  PRO  10           HD1      PRO  10 -12.300  -3.209   1.668
   66    H    SER  11           HN       SER  11 -10.359  -7.516   4.370
   67    HA   SER  11           HA       SER  11  -7.751  -8.208   3.600
   68    HB2  SER  11           HB2      SER  11  -9.982  -9.972   4.630
   69    HB3  SER  11           HB1      SER  11  -8.245 -10.247   4.783
   70    HG   SER  11           HG       SER  11  -8.871  -9.397   6.678
   71    H    GLY  12           HN       GLY  12  -7.099  -9.309   1.814
   72    HA2  GLY  12           HA2      GLY  12  -7.520 -11.072   0.197
   73    HA3  GLY  12           HA1      GLY  12  -9.194 -10.537   0.158
   74    H    THR  13           HN       THR  13  -8.084  -7.699   0.269
   75    HA   THR  13           HA       THR  13  -8.103  -7.185  -2.515
   76    HB   THR  13           HB       THR  13  -7.122  -5.383  -0.268
   77    HG1  THR  13           HG1      THR  13  -9.119  -5.712   0.325
   78   HG21  THR  13          HG21      THR  13  -7.800  -3.546  -1.774
   79   HG22  THR  13          HG22      THR  13  -8.248  -4.727  -3.005
   80   HG23  THR  13          HG23      THR  13  -6.564  -4.557  -2.522
   81    H    CYS  14           HN       CYS  14  -6.308  -6.627  -3.868
   82    HA   CYS  14           HA       CYS  14  -3.686  -6.977  -2.698
   83    HB2  CYS  14           HB2      CYS  14  -4.534  -9.125  -3.550
   84    HB3  CYS  14           HB1      CYS  14  -4.643  -8.435  -5.173
   85    H    ALA  15           HN       ALA  15  -2.111  -5.866  -3.795
   86    HA   ALA  15           HA       ALA  15  -3.038  -4.100  -5.942
   87    HB1  ALA  15           HB1      ALA  15  -3.439  -2.888  -3.854
   88    HB2  ALA  15           HB2      ALA  15  -2.171  -2.115  -4.809
   89    HB3  ALA  15           HB3      ALA  15  -1.748  -3.099  -3.407
   90    H    ASP  16           HN       ASP  16  -1.291  -2.948  -6.987
   91    HA   ASP  16           HA       ASP  16   1.130  -4.563  -6.968
   92    HB2  ASP  16           HB2      ASP  16   1.599  -3.678  -9.200
   93    HB3  ASP  16           HB1      ASP  16  -0.009  -4.378  -9.147
   94    H    PHE  17           HN       PHE  17   2.982  -3.786  -6.360
   95    HA   PHE  17           HA       PHE  17   3.235  -0.919  -5.783
   96    HB2  PHE  17           HB2      PHE  17   4.281  -3.321  -4.286
   97    HB3  PHE  17           HB1      PHE  17   4.768  -1.671  -3.960
   98    HD1  PHE  17           HD1      PHE  17   3.351  -0.198  -2.756
   99    HD2  PHE  17           HD2      PHE  17   2.086  -4.149  -3.679
  100    HE1  PHE  17           HE1      PHE  17   1.593  -0.020  -1.073
  101    HE2  PHE  17           HE2      PHE  17   0.306  -3.975  -1.997
  102    HZ   PHE  17           HZ       PHE  17   0.067  -1.901  -0.685
  103    HA   PRO  18           HA       PRO  18   7.141  -1.410  -8.013
  104    HB2  PRO  18           HB2      PRO  18   8.585   0.328  -6.186
  105    HB3  PRO  18           HB1      PRO  18   8.042   0.667  -7.829
  106    HG2  PRO  18           HG2      PRO  18   6.997   1.880  -5.619
  107    HG3  PRO  18           HG1      PRO  18   6.109   1.647  -7.132
  108    HD2  PRO  18           HD2      PRO  18   5.974   0.090  -4.591
  109    HD3  PRO  18           HD1      PRO  18   4.668   0.566  -5.698
  110    H    TRP  19           HN       TRP  19   9.482  -1.948  -7.618
  111    HA   TRP  19           HA       TRP  19   9.869  -4.170  -5.989
  112    HB2  TRP  19           HB2      TRP  19  11.218  -3.461  -8.023
  113    HB3  TRP  19           HB1      TRP  19  11.994  -2.251  -7.015
  114    HD1  TRP  19           HD1      TRP  19  11.964  -5.962  -7.773
  115    HE1  TRP  19           HE1      TRP  19  13.986  -7.088  -6.652
  116    HE3  TRP  19          3HE       TRP  19  13.623  -2.037  -4.954
  117    HZ2  TRP  19           HZ2      TRP  19  16.016  -6.408  -4.824
  118    HZ3  TRP  19           HZ3      TRP  19  15.606  -2.358  -3.546
  119    HH2  TRP  19          2HH       TRP  19  16.780  -4.500  -3.482
  120    HA   PRO  20           HA       PRO  20  11.034  -5.223  -4.715
  121    HB2  PRO  20           HB2      PRO  20  11.678  -6.170  -2.307
  122    HB3  PRO  20           HB1      PRO  20  12.843  -5.320  -3.325
  123    HG2  PRO  20           HG2      PRO  20  11.533  -4.422  -0.846
  124    HG3  PRO  20           HG1      PRO  20  13.022  -3.848  -1.611
  125    HD2  PRO  20           HD2      PRO  20  10.368  -2.702  -1.749
  126    HD3  PRO  20           HD1      PRO  20  11.883  -2.072  -2.411
  127    H    LEU  21           HN       LEU  21   8.490  -3.746  -3.613
  128    HA   LEU  21           HA       LEU  21   7.302  -5.804  -1.983
  129    HB2  LEU  21           HB2      LEU  21   6.194  -3.251  -3.137
  130    HB3  LEU  21           HB1      LEU  21   5.160  -4.425  -2.360
  131    HG   LEU  21           HG       LEU  21   6.516  -4.092  -0.261
  132   HD11  LEU  21          HD11      LEU  21   7.766  -2.047  -0.056
  133   HD12  LEU  21          HD12      LEU  21   7.627  -1.802  -1.814
  134   HD13  LEU  21          HD13      LEU  21   8.513  -3.198  -1.170
  135   HD21  LEU  21          HD21      LEU  21   5.119  -1.681  -1.374
  136   HD22  LEU  21          HD22      LEU  21   5.462  -1.992   0.330
  137   HD23  LEU  21          HD23      LEU  21   4.367  -3.052  -0.560
  138    H    GLY  22           HN       GLY  22   6.615  -4.454  -5.196
  139    HA2  GLY  22           HA2      GLY  22   5.885  -5.527  -7.102
  140    HA3  GLY  22           HA1      GLY  22   6.103  -7.064  -6.270
  141    H    HIS  23           HN       HIS  23   4.139  -7.887  -6.984
  142    HA   HIS  23           HA       HIS  23   1.742  -6.438  -6.301
  143    HB2  HIS  23           HB2      HIS  23   0.480  -8.337  -7.308
  144    HB3  HIS  23           HB1      HIS  23   1.691  -7.707  -8.405
  145    HD1  HIS  23           HD1      HIS  23   0.358 -10.817  -7.241
  146    HD2  HIS  23           HD2      HIS  23   4.138  -9.467  -8.283
  147    HE1  HIS  23           HE1      HIS  23   1.712 -12.874  -7.749
  148    H    GLN  24           HN       GLN  24   1.219  -6.307  -4.277
  149    HA   GLN  24           HA       GLN  24   1.571  -8.692  -2.622
  150    HB2  GLN  24           HB2      GLN  24   1.838  -5.812  -1.895
  151    HB3  GLN  24           HB1      GLN  24   1.582  -7.061  -0.687
  152    HG2  GLN  24           HG2      GLN  24   3.617  -8.187  -1.427
  153    HG3  GLN  24           HG1      GLN  24   3.867  -6.913  -2.626
  154   HE21  GLN  24          1HE2      GLN  24   5.403  -7.773  -0.271
  155   HE22  GLN  24          2HE2      GLN  24   5.611  -6.330   0.666
  156    H    CYS  25           HN       CYS  25   0.049  -9.399  -1.419
  157    HA   CYS  25           HA       CYS  25  -2.566  -8.165  -1.812
  158    HB2  CYS  25           HB2      CYS  25  -1.917 -11.040  -1.123
  159    HB3  CYS  25           HB1      CYS  25  -3.518 -10.387  -1.447
  160    H    PHE  26           HN       PHE  26  -3.952  -7.929  -0.007
  161    HA   PHE  26           HA       PHE  26  -2.419  -7.639   2.477
  162    HB2  PHE  26           HB2      PHE  26  -5.086  -6.407   1.791
  163    HB3  PHE  26           HB1      PHE  26  -4.010  -5.961   3.109
  164    HD1  PHE  26           HD1      PHE  26  -1.582  -5.227   2.319
  165    HD2  PHE  26           HD2      PHE  26  -5.077  -5.138  -0.098
  166    HE1  PHE  26           HE1      PHE  26  -0.532  -3.555   0.858
  167    HE2  PHE  26           HE2      PHE  26  -4.037  -3.473  -1.559
  168    HZ   PHE  26           HZ       PHE  26  -1.771  -2.681  -1.093
  169    HA   PRO  27           HA       PRO  27  -4.918 -11.302   3.584
  170    HB2  PRO  27           HB2      PRO  27  -3.082 -11.385   5.885
  171    HB3  PRO  27           HB1      PRO  27  -3.384 -12.616   4.655
  172    HG2  PRO  27           HG2      PRO  27  -1.079 -11.253   4.704
  173    HG3  PRO  27           HG1      PRO  27  -1.852 -11.702   3.176
  174    HD2  PRO  27           HD2      PRO  27  -1.871  -9.069   4.603
  175    HD3  PRO  27           HD1      PRO  27  -1.621  -9.428   2.877
  176    H    ASP  28           HN       ASP  28  -3.887  -8.755   5.774
  177    HA   ASP  28           HA       ASP  28  -6.268  -9.239   7.444
  178    HB2  ASP  28           HB2      ASP  28  -3.773  -7.615   8.017
  179    HB3  ASP  28           HB1      ASP  28  -5.163  -7.699   9.086
  180    H1   GLY   1           HN       GLY   1   7.304   7.522   3.283
  181    HA2  GLY   1           HA2      GLY   1   8.342   5.793   2.073
  182    HA3  GLY   1           HA1      GLY   1   9.276   5.380   3.514
  183    H    PHE   2           HN       PHE   2   8.363   3.194   2.749
  184    HA   PHE   2           HA       PHE   2   6.073   2.605   4.424
  185    HB2  PHE   2           HB2      PHE   2   5.031   3.366   2.336
  186    HB3  PHE   2           HB1      PHE   2   5.971   2.197   1.434
  187    HD1  PHE   2           HD1      PHE   2   5.015   0.184   0.911
  188    HD2  PHE   2           HD2      PHE   2   3.506   2.408   4.196
  189    HE1  PHE   2           HE1      PHE   2   3.179  -1.424   1.148
  190    HE2  PHE   2           HE2      PHE   2   1.674   0.805   4.447
  191    HZ   PHE   2           HZ       PHE   2   1.505  -1.120   2.917
  192    H    CYS   3           HN       CYS   3   6.115   0.484   5.095
  193    HA   CYS   3           HA       CYS   3   7.956  -1.321   3.758
  194    HB2  CYS   3           HB2      CYS   3   7.897  -0.766   6.734
  195    HB3  CYS   3           HB1      CYS   3   8.725  -2.121   5.991
  196    H    TRP   4           HN       TRP   4   6.824  -2.967   3.176
  197    HA   TRP   4           HA       TRP   4   4.770  -3.983   4.986
  198    HB2  TRP   4           HB2      TRP   4   3.805  -2.650   3.063
  199    HB3  TRP   4           HB1      TRP   4   4.536  -3.810   1.989
  200    HD1  TRP   4           HD1      TRP   4   3.307  -6.042   1.576
  201    HE1  TRP   4           HE1      TRP   4   1.049  -7.029   2.303
  202    HE3  TRP   4          3HE       TRP   4   2.107  -2.665   5.200
  203    HZ2  TRP   4           HZ2      TRP   4  -0.976  -6.451   4.187
  204    HZ3  TRP   4           HZ3      TRP   4  -0.012  -2.952   6.418
  205    HH2  TRP   4          2HH       TRP   4  -1.517  -4.806   5.920
  206    H    HIS   5           HN       HIS   5   5.353  -5.906   5.532
  207    HA   HIS   5           HA       HIS   5   6.441  -7.824   5.685
  208    HB2  HIS   5           HB2      HIS   5   5.245  -8.119   2.944
  209    HB3  HIS   5           HB1      HIS   5   6.102  -9.437   3.741
  210    HD1  HIS   5           HD1      HIS   5   2.763  -8.147   3.368
  211    HD2  HIS   5           HD2      HIS   5   4.924  -9.949   6.418
  212    HE1  HIS   5           HE1      HIS   5   1.070  -9.009   5.002
  213    H    HIS   6           HN       HIS   6   8.272  -6.353   5.732
  214    HA   HIS   6           HA       HIS   6  10.492  -6.214   5.670
  215    HB2  HIS   6           HB2      HIS   6  10.287  -8.870   4.240
  216    HB3  HIS   6           HB1      HIS   6  11.815  -8.144   4.720
  217    HD1  HIS   6           HD1      HIS   6  12.646  -9.032   6.926
  218    HD2  HIS   6           HD2      HIS   6   8.497  -9.094   6.676
  219    HE1  HIS   6           HE1      HIS   6  11.831 -10.036   9.069
  220    H    SER   7           HN       SER   7   8.727  -5.389   3.287
  221    HA   SER   7           HA       SER   7  10.957  -4.857   1.456
  222    HB2  SER   7           HB2      SER   7   8.010  -5.060   0.811
  223    HB3  SER   7           HB1      SER   7   9.349  -4.951  -0.340
  224    HG   SER   7           HG       SER   7   8.832  -7.034   1.490
  225    H    CYS   8           HN       CYS   8  11.410  -2.681   1.271
  226    HA   CYS   8           HA       CYS   8   9.372  -0.821   2.260
  227    HB2  CYS   8           HB2      CYS   8  12.363  -0.657   2.646
  228    HB3  CYS   8           HB1      CYS   8  11.207   0.580   3.125
  229    H    VAL   9           HN       VAL   9   9.202   1.132   1.288
  230    HA   VAL   9           HA       VAL   9  10.829   1.629  -1.088
  231    HB   VAL   9           HB       VAL   9   8.817   2.833  -2.098
  232   HG11  VAL   9          HG11      VAL   9   7.724   0.766  -2.904
  233   HG12  VAL   9          HG12      VAL   9   8.627  -0.129  -1.671
  234   HG13  VAL   9          3HG1      VAL   9   9.486   0.700  -2.962
  235   HG21  VAL   9          HG21      VAL   9   7.479   3.055  -0.068
  236   HG22  VAL   9          HG22      VAL   9   7.317   1.299   0.021
  237   HG23  VAL   9          HG23      VAL   9   6.583   2.186  -1.316
  238    HA   PRO  10           HA       PRO  10  11.994   5.340   0.812
  239    HB2  PRO  10           HB2      PRO  10  12.293   7.006  -1.299
  240    HB3  PRO  10           HB1      PRO  10  13.421   5.691  -0.935
  241    HG2  PRO  10           HG2      PRO  10  11.145   5.761  -2.885
  242    HG3  PRO  10           HG1      PRO  10  12.791   5.150  -3.127
  243    HD2  PRO  10           HD2      PRO  10  10.758   3.497  -2.634
  244    HD3  PRO  10           HD1      PRO  10  12.368   3.196  -1.950
  245    H    SER  11           HN       SER  11  11.545   7.566   1.195
  246    HA   SER  11           HA       SER  11   8.860   8.177   1.632
  247    HB2  SER  11           HB2      SER  11  11.232  10.046   1.597
  248    HB3  SER  11           HB1      SER  11   9.742  10.215   2.527
  249    HG   SER  11           HG       SER  11  11.012   9.330   3.977
  250    H    GLY  12           HN       GLY  12   7.410   9.097   0.281
  251    HA2  GLY  12           HA2      GLY  12   6.841  10.914  -1.168
  252    HA3  GLY  12           HA1      GLY  12   8.425  10.761  -1.908
  253    H    THR  13           HN       THR  13   7.716   7.712  -1.593
  254    HA   THR  13           HA       THR  13   7.008   7.330  -4.300
  255    HB   THR  13           HB       THR  13   6.980   5.371  -1.985
  256    HG1  THR  13           HG1      THR  13   9.006   5.866  -2.076
  257   HG21  THR  13          HG21      THR  13   5.762   4.526  -3.961
  258   HG22  THR  13          HG22      THR  13   7.267   3.641  -3.714
  259   HG23  THR  13          HG23      THR  13   7.165   4.874  -4.970
  260    H    CYS  14           HN       CYS  14   5.024   7.153  -5.201
  261    HA   CYS  14           HA       CYS  14   2.721   6.824  -3.424
  262    HB2  CYS  14           HB2      CYS  14   2.787   8.143  -6.159
  263    HB3  CYS  14           HB1      CYS  14   1.398   8.027  -5.082
  264    H    ALA  15           HN       ALA  15   1.250   5.260  -3.966
  265    HA   ALA  15           HA       ALA  15   1.994   3.549  -6.230
  266    HB1  ALA  15           HB1      ALA  15   1.447   1.574  -4.889
  267    HB2  ALA  15           HB2      ALA  15   1.108   2.609  -3.500
  268    HB3  ALA  15           HB3      ALA  15   2.745   2.509  -4.144
  269    H    ASP  16           HN       ASP  16   0.223   2.172  -6.970
  270    HA   ASP  16           HA       ASP  16  -2.234   3.736  -7.030
  271    HB2  ASP  16           HB2      ASP  16  -1.160   3.147  -9.172
  272    HB3  ASP  16           HB1      ASP  16  -1.328   1.441  -8.779
  273    H    PHE  17           HN       PHE  17  -3.735   3.184  -5.647
  274    HA   PHE  17           HA       PHE  17  -4.247   0.340  -5.061
  275    HB2  PHE  17           HB2      PHE  17  -4.755   2.819  -3.410
  276    HB3  PHE  17           HB1      PHE  17  -5.300   1.214  -2.982
  277    HD1  PHE  17           HD1      PHE  17  -3.832  -0.347  -2.009
  278    HD2  PHE  17           HD2      PHE  17  -2.413   3.434  -3.297
  279    HE1  PHE  17           HE1      PHE  17  -1.796  -0.677  -0.704
  280    HE2  PHE  17           HE2      PHE  17  -0.355   3.113  -1.995
  281    HZ   PHE  17           HZ       PHE  17  -0.049   1.057  -0.689
  282    HA   PRO  18           HA       PRO  18  -8.497   1.453  -6.358
  283    HB2  PRO  18           HB2      PRO  18  -9.700  -0.309  -4.391
  284    HB3  PRO  18           HB1      PRO  18  -9.549  -0.575  -6.126
  285    HG2  PRO  18           HG2      PRO  18  -8.211  -2.048  -4.252
  286    HG3  PRO  18           HG1      PRO  18  -7.615  -1.783  -5.898
  287    HD2  PRO  18           HD2      PRO  18  -6.817  -0.417  -3.355
  288    HD3  PRO  18           HD1      PRO  18  -5.816  -0.962  -4.714
  289    H    TRP  19           HN       TRP  19 -10.606   2.205  -5.329
  290    HA   TRP  19           HA       TRP  19 -10.206   4.226  -3.377
  291    HB2  TRP  19           HB2      TRP  19 -11.949   4.614  -4.928
  292    HB3  TRP  19           HB1      TRP  19 -12.619   3.009  -4.703
  293    HD1  TRP  19           HD1      TRP  19 -13.853   2.633  -2.559
  294    HE1  TRP  19           HE1      TRP  19 -15.471   4.109  -1.099
  295    HE3  TRP  19          3HE       TRP  19 -12.178   7.081  -4.049
  296    HZ2  TRP  19           HZ2      TRP  19 -15.851   6.880  -0.685
  297    HZ3  TRP  19           HZ3      TRP  19 -13.134   9.109  -3.070
  298    HH2  TRP  19          2HH       TRP  19 -14.934   9.024  -1.441
  299    HA   PRO  20           HA       PRO  20 -11.396   5.299  -1.985
  300    HB2  PRO  20           HB2      PRO  20 -10.739   5.767   0.835
  301    HB3  PRO  20           HB1      PRO  20 -12.171   6.246  -0.088
  302    HG2  PRO  20           HG2      PRO  20 -12.349   4.347   1.733
  303    HG3  PRO  20           HG1      PRO  20 -13.169   4.265   0.146
  304    HD2  PRO  20           HD2      PRO  20 -10.525   2.974   0.897
  305    HD3  PRO  20           HD1      PRO  20 -11.980   2.178   0.240
  306    H    LEU  21           HN       LEU  21  -8.785   3.496  -1.390
  307    HA   LEU  21           HA       LEU  21  -6.876   5.363  -0.439
  308    HB2  LEU  21           HB2      LEU  21  -6.580   2.730  -1.870
  309    HB3  LEU  21           HB1      LEU  21  -5.222   3.652  -1.261
  310    HG   LEU  21           HG       LEU  21  -7.438   2.599   0.508
  311   HD11  LEU  21          HD11      LEU  21  -5.868   0.878   1.163
  312   HD12  LEU  21          HD12      LEU  21  -4.705   1.457  -0.031
  313   HD13  LEU  21          HD13      LEU  21  -6.235   0.747  -0.557
  314   HD21  LEU  21          HD21      LEU  21  -4.667   3.557   1.135
  315   HD22  LEU  21          HD22      LEU  21  -5.915   3.091   2.294
  316   HD23  LEU  21          HD23      LEU  21  -6.111   4.540   1.305
  317    H    GLY  22           HN       GLY  22  -7.236   3.883  -3.644
  318    HA2  GLY  22           HA2      GLY  22  -6.816   4.738  -5.742
  319    HA3  GLY  22           HA1      GLY  22  -6.989   6.343  -5.029
  320    H    HIS  23           HN       HIS  23  -5.250   7.433  -5.669
  321    HA   HIS  23           HA       HIS  23  -2.683   6.157  -5.628
  322    HB2  HIS  23           HB2      HIS  23  -1.829   8.491  -6.312
  323    HB3  HIS  23           HB1      HIS  23  -2.850   7.642  -7.455
  324    HD1  HIS  23           HD1      HIS  23  -4.851   8.921  -8.306
  325    HD2  HIS  23           HD2      HIS  23  -3.214  10.631  -4.908
  326    HE1  HIS  23           HE1      HIS  23  -6.033  11.122  -8.004
  327    H    GLN  24           HN       GLN  24  -1.791   5.772  -3.801
  328    HA   GLN  24           HA       GLN  24  -2.029   7.764  -1.659
  329    HB2  GLN  24           HB2      GLN  24  -1.672   4.791  -1.535
  330    HB3  GLN  24           HB1      GLN  24  -1.375   5.833  -0.151
  331    HG2  GLN  24           HG2      GLN  24  -3.968   5.655  -1.655
  332    HG3  GLN  24           HG1      GLN  24  -3.605   4.819  -0.143
  333   HE21  GLN  24          1HE2      GLN  24  -5.599   6.885  -0.825
  334   HE22  GLN  24          2HE2      GLN  24  -5.330   8.146   0.329
  335    H    CYS  25           HN       CYS  25  -0.299   8.548  -0.696
  336    HA   CYS  25           HA       CYS  25   2.252   7.768  -1.867
  337    HB2  CYS  25           HB2      CYS  25   1.392  10.462  -0.809
  338    HB3  CYS  25           HB1      CYS  25   2.977  10.056  -1.471
  339    H    PHE  26           HN       PHE  26   3.969   7.531  -0.586
  340    HA   PHE  26           HA       PHE  26   3.336   7.189   2.250
  341    HB2  PHE  26           HB2      PHE  26   5.666   6.005   0.741
  342    HB3  PHE  26           HB1      PHE  26   5.027   5.508   2.302
  343    HD1  PHE  26           HD1      PHE  26   2.383   4.851   2.134
  344    HD2  PHE  26           HD2      PHE  26   5.222   4.614  -1.020
  345    HE1  PHE  26           HE1      PHE  26   0.990   3.168   1.008
  346    HE2  PHE  26           HE2      PHE  26   3.837   2.937  -2.150
  347    HZ   PHE  26           HZ       PHE  26   1.718   2.211  -1.142
  348    HA   PRO  27           HA       PRO  27   5.952  10.954   2.135
  349    HB2  PRO  27           HB2      PRO  27   5.291  11.823   4.644
  350    HB3  PRO  27           HB1      PRO  27   4.326  12.152   3.202
  351    HG2  PRO  27           HG2      PRO  27   3.939  10.081   5.314
  352    HG3  PRO  27           HG1      PRO  27   2.731  11.075   4.483
  353    HD2  PRO  27           HD2      PRO  27   3.180   8.493   3.852
  354    HD3  PRO  27           HD1      PRO  27   2.674   9.690   2.646
  355    H    ASP  28           HN       ASP  28   5.880   8.554   4.695
  356    HA   ASP  28           HA       ASP  28   8.615   9.335   5.522
  357    HB2  ASP  28           HB2      ASP  28   6.710   7.394   6.870
  358    HB3  ASP  28           HB1      ASP  28   8.267   7.899   7.480
  Start of MODEL   15
    1    H1   GLY   1           HN       GLY   1  -6.365  -7.741   4.491
    2    HA2  GLY   1           HA2      GLY   1  -7.530  -6.028   3.321
    3    HA3  GLY   1           HA1      GLY   1  -8.228  -5.508   4.859
    4    H    PHE   2           HN       PHE   2  -7.332  -3.405   4.042
    5    HA   PHE   2           HA       PHE   2  -4.753  -3.050   5.288
    6    HB2  PHE   2           HB2      PHE   2  -4.159  -3.582   2.951
    7    HB3  PHE   2           HB1      PHE   2  -5.193  -2.282   2.390
    8    HD1  PHE   2           HD1      PHE   2  -4.263  -0.207   1.993
    9    HD2  PHE   2           HD2      PHE   2  -2.244  -2.907   4.573
   10    HE1  PHE   2           HE1      PHE   2  -2.359   1.338   2.105
   11    HE2  PHE   2           HE2      PHE   2  -0.333  -1.369   4.694
   12    HZ   PHE   2           HZ       PHE   2  -0.388   0.759   3.457
   13    H    CYS   3           HN       CYS   3  -4.570  -1.084   6.179
   14    HA   CYS   3           HA       CYS   3  -6.582   0.915   5.493
   15    HB2  CYS   3           HB2      CYS   3  -5.690   0.120   8.274
   16    HB3  CYS   3           HB1      CYS   3  -6.693   1.515   7.902
   17    H    TRP   4           HN       TRP   4  -5.737   2.820   5.102
   18    HA   TRP   4           HA       TRP   4  -3.429   3.792   6.468
   19    HB2  TRP   4           HB2      TRP   4  -2.553   2.359   4.517
   20    HB3  TRP   4           HB1      TRP   4  -3.279   3.545   3.448
   21    HD1  TRP   4           HD1      TRP   4  -2.063   5.974   3.343
   22    HE1  TRP   4           HE1      TRP   4   0.322   6.713   4.011
   23    HE3  TRP   4          3HE       TRP   4  -0.687   1.943   6.172
   24    HZ2  TRP   4           HZ2      TRP   4   2.478   5.733   5.504
   25    HZ3  TRP   4           HZ3      TRP   4   1.570   1.927   7.175
   26    HH2  TRP   4          2HH       TRP   4   3.106   3.780   6.846
   27    H    HIS   5           HN       HIS   5  -3.506   6.035   6.422
   28    HA   HIS   5           HA       HIS   5  -4.433   8.084   6.312
   29    HB2  HIS   5           HB2      HIS   5  -3.860   7.822   3.842
   30    HB3  HIS   5           HB1      HIS   5  -5.487   7.225   3.581
   31    HD1  HIS   5           HD1      HIS   5  -6.825   9.043   2.468
   32    HD2  HIS   5           HD2      HIS   5  -4.194  10.527   5.314
   33    HE1  HIS   5           HE1      HIS   5  -7.190  11.531   2.517
   34    H    HIS   6           HN       HIS   6  -5.851   5.752   7.329
   35    HA   HIS   6           HA       HIS   6  -7.722   5.225   8.413
   36    HB2  HIS   6           HB2      HIS   6  -8.581   8.064   7.777
   37    HB3  HIS   6           HB1      HIS   6  -9.502   6.975   8.805
   38    HD1  HIS   6           HD1      HIS   6  -8.887   7.038  11.278
   39    HD2  HIS   6           HD2      HIS   6  -5.927   8.645   8.838
   40    HE1  HIS   6           HE1      HIS   6  -7.146   7.968  12.819
   41    H    SER   7           HN       SER   7  -7.448   5.136   5.355
   42    HA   SER   7           HA       SER   7 -10.245   4.559   4.818
   43    HB2  SER   7           HB2      SER   7  -7.863   5.027   3.030
   44    HB3  SER   7           HB1      SER   7  -9.482   4.683   2.410
   45    HG   SER   7           HG       SER   7  -9.164   6.757   4.249
   46    H    CYS   8           HN       CYS   8 -10.759   2.409   4.356
   47    HA   CYS   8           HA       CYS   8  -8.501   0.538   4.496
   48    HB2  CYS   8           HB2      CYS   8 -11.214   0.263   5.778
   49    HB3  CYS   8           HB1      CYS   8  -9.985  -0.994   5.746
   50    H    VAL   9           HN       VAL   9  -8.549  -1.229   3.230
   51    HA   VAL   9           HA       VAL   9 -10.814  -1.509   1.388
   52    HB   VAL   9           HB       VAL   9  -9.245  -2.757  -0.147
   53   HG11  VAL   9          HG11      VAL   9  -8.064  -0.784  -0.997
   54   HG12  VAL   9          HG12      VAL   9  -8.448   0.064   0.502
   55   HG13  VAL   9          3HG1      VAL   9  -9.743  -0.434  -0.583
   56   HG21  VAL   9          HG21      VAL   9  -7.562  -3.426   1.493
   57   HG22  VAL   9          HG22      VAL   9  -7.119  -1.736   1.732
   58   HG23  VAL   9          HG23      VAL   9  -6.819  -2.513   0.176
   59    HA   PRO  10           HA       PRO  10 -11.968  -5.249   3.258
   60    HB2  PRO  10           HB2      PRO  10 -12.541  -6.832   1.068
   61    HB3  PRO  10           HB1      PRO  10 -13.625  -5.618   1.752
   62    HG2  PRO  10           HG2      PRO  10 -11.765  -5.399  -0.580
   63    HG3  PRO  10           HG1      PRO  10 -13.421  -4.788  -0.407
   64    HD2  PRO  10           HD2      PRO  10 -11.330  -3.162  -0.170
   65    HD3  PRO  10           HD1      PRO  10 -12.747  -2.978   0.881
   66    H    SER  11           HN       SER  11 -11.393  -7.370   3.756
   67    HA   SER  11           HA       SER  11  -8.674  -8.138   3.619
   68    HB2  SER  11           HB2      SER  11 -11.098  -9.854   4.167
   69    HB3  SER  11           HB1      SER  11  -9.456 -10.097   4.758
   70    HG   SER  11           HG       SER  11  -9.837  -7.865   5.754
   71    H    GLY  12           HN       GLY  12  -7.570  -9.032   1.980
   72    HA2  GLY  12           HA2      GLY  12  -7.418 -10.948   0.510
   73    HA3  GLY  12           HA1      GLY  12  -9.098 -10.670   0.073
   74    H    THR  13           HN       THR  13  -8.223  -7.679   0.204
   75    HA   THR  13           HA       THR  13  -7.897  -7.374  -2.595
   76    HB   THR  13           HB       THR  13  -7.471  -5.312  -0.406
   77    HG1  THR  13           HG1      THR  13  -9.499  -5.795  -0.119
   78   HG21  THR  13          HG21      THR  13  -8.063  -3.681  -2.154
   79   HG22  THR  13          HG22      THR  13  -8.215  -4.985  -3.330
   80   HG23  THR  13          HG23      THR  13  -6.640  -4.608  -2.633
   81    H    CYS  14           HN       CYS  14  -6.076  -6.963  -3.787
   82    HA   CYS  14           HA       CYS  14  -3.550  -6.960  -2.354
   83    HB2  CYS  14           HB2      CYS  14  -4.119  -9.136  -3.419
   84    HB3  CYS  14           HB1      CYS  14  -4.165  -8.328  -4.987
   85    H    ALA  15           HN       ALA  15  -1.952  -5.696  -3.354
   86    HA   ALA  15           HA       ALA  15  -3.016  -3.843  -5.372
   87    HB1  ALA  15           HB1      ALA  15  -2.002  -1.953  -4.224
   88    HB2  ALA  15           HB2      ALA  15  -1.424  -3.022  -2.947
   89    HB3  ALA  15           HB3      ALA  15  -3.156  -2.774  -3.173
   90    H    ASP  16           HN       ASP  16  -1.408  -2.668  -6.548
   91    HA   ASP  16           HA       ASP  16   1.003  -4.247  -6.959
   92    HB2  ASP  16           HB2      ASP  16  -0.363  -3.920  -8.930
   93    HB3  ASP  16           HB1      ASP  16  -0.363  -2.179  -8.681
   94    H    PHE  17           HN       PHE  17   2.818  -3.539  -6.221
   95    HA   PHE  17           HA       PHE  17   3.230  -0.685  -5.672
   96    HB2  PHE  17           HB2      PHE  17   4.200  -3.161  -4.253
   97    HB3  PHE  17           HB1      PHE  17   4.886  -1.575  -3.982
   98    HD1  PHE  17           HD1      PHE  17   2.069  -3.785  -3.403
   99    HD2  PHE  17           HD2      PHE  17   3.667   0.098  -2.797
  100    HE1  PHE  17           HE1      PHE  17   0.440  -3.400  -1.622
  101    HE2  PHE  17           HE2      PHE  17   2.055   0.505  -1.023
  102    HZ   PHE  17           HZ       PHE  17   0.432  -1.234  -0.415
  103    HA   PRO  18           HA       PRO  18   6.945  -1.540  -8.071
  104    HB2  PRO  18           HB2      PRO  18   8.610   0.381  -7.253
  105    HB3  PRO  18           HB1      PRO  18   7.138   0.790  -8.143
  106    HG2  PRO  18           HG2      PRO  18   7.704   0.992  -5.224
  107    HG3  PRO  18           HG1      PRO  18   6.788   2.090  -6.268
  108    HD2  PRO  18           HD2      PRO  18   5.707   0.158  -4.597
  109    HD3  PRO  18           HD1      PRO  18   4.849   0.921  -5.940
  110    H    TRP  19           HN       TRP  19   9.294  -2.038  -7.721
  111    HA   TRP  19           HA       TRP  19   9.868  -3.864  -5.692
  112    HB2  TRP  19           HB2      TRP  19  11.214  -3.942  -7.655
  113    HB3  TRP  19           HB1      TRP  19  11.609  -2.236  -7.546
  114    HD1  TRP  19           HD1      TRP  19  13.220  -1.582  -5.736
  115    HE1  TRP  19           HE1      TRP  19  15.338  -2.720  -4.689
  116    HE3  TRP  19          3HE       TRP  19  12.041  -6.297  -6.865
  117    HZ2  TRP  19           HZ2      TRP  19  16.267  -5.374  -4.385
  118    HZ3  TRP  19           HZ3      TRP  19  13.521  -8.101  -6.128
  119    HH2  TRP  19          2HH       TRP  19  15.590  -7.662  -4.934
  120    HA   PRO  20           HA       PRO  20  11.421  -4.613  -4.591
  121    HB2  PRO  20           HB2      PRO  20  11.576  -5.015  -1.689
  122    HB3  PRO  20           HB1      PRO  20  12.794  -5.310  -2.933
  123    HG2  PRO  20           HG2      PRO  20  13.089  -3.296  -1.258
  124    HG3  PRO  20           HG1      PRO  20  13.450  -3.183  -3.009
  125    HD2  PRO  20           HD2      PRO  20  10.884  -2.315  -1.629
  126    HD3  PRO  20           HD1      PRO  20  11.967  -1.309  -2.628
  127    H    LEU  21           HN       LEU  21   8.703  -3.280  -3.512
  128    HA   LEU  21           HA       LEU  21   7.502  -5.424  -2.029
  129    HB2  LEU  21           HB2      LEU  21   6.407  -2.855  -3.117
  130    HB3  LEU  21           HB1      LEU  21   5.405  -4.031  -2.291
  131    HG   LEU  21           HG       LEU  21   7.791  -2.651  -1.053
  132   HD11  LEU  21          HD11      LEU  21   4.833  -2.165  -0.686
  133   HD12  LEU  21          HD12      LEU  21   5.955  -1.082  -1.509
  134   HD13  LEU  21          HD13      LEU  21   6.134  -1.392   0.218
  135   HD21  LEU  21          HD21      LEU  21   7.288  -4.860  -0.144
  136   HD22  LEU  21          HD22      LEU  21   5.619  -4.361   0.113
  137   HD23  LEU  21          HD23      LEU  21   6.921  -3.575   1.004
  138    H    GLY  22           HN       GLY  22   6.709  -3.968  -5.176
  139    HA2  GLY  22           HA2      GLY  22   5.883  -4.971  -7.077
  140    HA3  GLY  22           HA1      GLY  22   6.339  -6.521  -6.369
  141    H    HIS  23           HN       HIS  23   4.643  -7.816  -6.216
  142    HA   HIS  23           HA       HIS  23   1.992  -6.651  -5.919
  143    HB2  HIS  23           HB2      HIS  23   2.867  -9.501  -6.431
  144    HB3  HIS  23           HB1      HIS  23   1.191  -9.012  -6.229
  145    HD1  HIS  23           HD1      HIS  23   0.014  -8.114  -8.281
  146    HD2  HIS  23           HD2      HIS  23   4.118  -8.455  -8.782
  147    HE1  HIS  23           HE1      HIS  23   0.447  -7.708 -10.724
  148    H    GLN  24           HN       GLN  24   1.268  -6.277  -3.952
  149    HA   GLN  24           HA       GLN  24   1.946  -8.223  -1.873
  150    HB2  GLN  24           HB2      GLN  24   1.780  -5.232  -1.561
  151    HB3  GLN  24           HB1      GLN  24   1.885  -6.358  -0.217
  152    HG2  GLN  24           HG2      GLN  24   3.950  -6.014  -2.383
  153    HG3  GLN  24           HG1      GLN  24   4.058  -5.396  -0.734
  154   HE21  GLN  24          1HE2      GLN  24   5.762  -7.326  -2.217
  155   HE22  GLN  24          2HE2      GLN  24   5.798  -8.728  -1.221
  156    H    CYS  25           HN       CYS  25   0.313  -9.195  -1.115
  157    HA   CYS  25           HA       CYS  25  -2.323  -8.061  -1.541
  158    HB2  CYS  25           HB2      CYS  25  -1.558 -10.911  -0.897
  159    HB3  CYS  25           HB1      CYS  25  -3.155 -10.329  -1.357
  160    H    PHE  26           HN       PHE  26  -3.863  -7.943   0.146
  161    HA   PHE  26           HA       PHE  26  -2.637  -7.953   2.807
  162    HB2  PHE  26           HB2      PHE  26  -4.900  -6.243   1.783
  163    HB3  PHE  26           HB1      PHE  26  -4.082  -6.098   3.334
  164    HD1  PHE  26           HD1      PHE  26  -1.527  -5.642   3.218
  165    HD2  PHE  26           HD2      PHE  26  -4.226  -4.932   0.014
  166    HE1  PHE  26           HE1      PHE  26   0.068  -4.063   2.229
  167    HE2  PHE  26           HE2      PHE  26  -2.636  -3.352  -0.980
  168    HZ   PHE  26           HZ       PHE  26  -0.484  -2.918   0.132
  169    HA   PRO  27           HA       PRO  27  -5.791 -11.228   3.025
  170    HB2  PRO  27           HB2      PRO  27  -4.573 -11.926   5.575
  171    HB3  PRO  27           HB1      PRO  27  -4.668 -12.878   4.095
  172    HG2  PRO  27           HG2      PRO  27  -2.350 -11.788   5.052
  173    HG3  PRO  27           HG1      PRO  27  -2.638 -12.146   3.347
  174    HD2  PRO  27           HD2      PRO  27  -2.678  -9.529   4.766
  175    HD3  PRO  27           HD1      PRO  27  -2.209  -9.922   3.100
  176    H    ASP  28           HN       ASP  28  -5.021  -9.080   5.740
  177    HA   ASP  28           HA       ASP  28  -7.756  -9.535   6.711
  178    HB2  ASP  28           HB2      ASP  28  -7.173  -8.353   8.723
  179    HB3  ASP  28           HB1      ASP  28  -5.868  -9.483   8.393
  180    H1   GLY   1           HN       GLY   1   7.463   7.682   2.611
  181    HA2  GLY   1           HA2      GLY   1   7.961   5.877   1.208
  182    HA3  GLY   1           HA1      GLY   1   9.168   5.332   2.370
  183    H    PHE   2           HN       PHE   2   7.981   3.272   1.923
  184    HA   PHE   2           HA       PHE   2   5.989   2.859   3.994
  185    HB2  PHE   2           HB2      PHE   2   4.593   3.401   2.042
  186    HB3  PHE   2           HB1      PHE   2   5.468   2.230   1.069
  187    HD1  PHE   2           HD1      PHE   2   4.574   0.126   0.807
  188    HD2  PHE   2           HD2      PHE   2   3.434   2.436   4.191
  189    HE1  PHE   2           HE1      PHE   2   2.967  -1.616   1.447
  190    HE2  PHE   2           HE2      PHE   2   1.822   0.695   4.835
  191    HZ   PHE   2           HZ       PHE   2   1.590  -1.335   3.461
  192    H    CYS   3           HN       CYS   3   6.039   0.687   4.698
  193    HA   CYS   3           HA       CYS   3   7.871  -0.999   3.225
  194    HB2  CYS   3           HB2      CYS   3   9.042   0.293   5.064
  195    HB3  CYS   3           HB1      CYS   3   8.038  -0.596   6.202
  196    H    TRP   4           HN       TRP   4   7.150  -3.000   3.056
  197    HA   TRP   4           HA       TRP   4   5.222  -4.018   4.967
  198    HB2  TRP   4           HB2      TRP   4   3.872  -3.000   3.166
  199    HB3  TRP   4           HB1      TRP   4   4.757  -3.924   1.966
  200    HD1  TRP   4           HD1      TRP   4   4.075  -6.481   1.660
  201    HE1  TRP   4           HE1      TRP   4   2.061  -7.851   2.439
  202    HE3  TRP   4          3HE       TRP   4   2.208  -3.239   5.141
  203    HZ2  TRP   4           HZ2      TRP   4  -0.058  -7.599   4.287
  204    HZ3  TRP   4           HZ3      TRP   4   0.175  -3.884   6.368
  205    HH2  TRP   4          2HH       TRP   4  -0.929  -6.024   5.942
  206    H    HIS   5           HN       HIS   5   5.491  -6.142   5.290
  207    HA   HIS   5           HA       HIS   5   6.551  -8.129   5.424
  208    HB2  HIS   5           HB2      HIS   5   5.399  -8.324   3.119
  209    HB3  HIS   5           HB1      HIS   5   6.974  -7.968   2.418
  210    HD1  HIS   5           HD1      HIS   5   8.451  -9.997   2.011
  211    HD2  HIS   5           HD2      HIS   5   5.458 -10.721   4.800
  212    HE1  HIS   5           HE1      HIS   5   8.594 -12.452   2.583
  213    H    HIS   6           HN       HIS   6   7.999  -5.714   5.718
  214    HA   HIS   6           HA       HIS   6  10.003  -5.047   6.368
  215    HB2  HIS   6           HB2      HIS   6  11.117  -7.740   5.533
  216    HB3  HIS   6           HB1      HIS   6  11.926  -6.557   6.550
  217    HD1  HIS   6           HD1      HIS   6  11.169  -6.474   9.072
  218    HD2  HIS   6           HD2      HIS   6   9.122  -9.214   6.736
  219    HE1  HIS   6           HE1      HIS   6   9.861  -7.904  10.667
  220    H    SER   7           HN       SER   7   9.175  -5.579   3.303
  221    HA   SER   7           HA       SER   7  11.637  -4.628   2.097
  222    HB2  SER   7           HB2      SER   7   8.919  -5.228   0.920
  223    HB3  SER   7           HB1      SER   7  10.394  -4.934  -0.003
  224    HG   SER   7           HG       SER   7  11.146  -6.776   1.486
  225    H    CYS   8           HN       CYS   8  11.969  -2.468   2.150
  226    HA   CYS   8           HA       CYS   8   9.621  -0.764   2.509
  227    HB2  CYS   8           HB2      CYS   8  12.507  -0.071   3.051
  228    HB3  CYS   8           HB1      CYS   8  11.085   0.832   3.541
  229    H    VAL   9           HN       VAL   9   9.116   0.732   1.037
  230    HA   VAL   9           HA       VAL   9  10.914   1.040  -1.216
  231    HB   VAL   9           HB       VAL   9   9.042   2.212  -2.398
  232   HG11  VAL   9          HG11      VAL   9   8.350  -0.520  -1.358
  233   HG12  VAL   9          HG12      VAL   9   9.352  -0.148  -2.761
  234   HG13  VAL   9          3HG1      VAL   9   7.633   0.244  -2.776
  235   HG21  VAL   9          HG21      VAL   9   7.819   3.084  -0.470
  236   HG22  VAL   9          HG22      VAL   9   7.397   1.443   0.019
  237   HG23  VAL   9          HG23      VAL   9   6.755   2.106  -1.484
  238    HA   PRO  10           HA       PRO  10  12.625   4.763   0.202
  239    HB2  PRO  10           HB2      PRO  10  12.270   5.843  -2.542
  240    HB3  PRO  10           HB1      PRO  10  13.736   5.713  -1.565
  241    HG2  PRO  10           HG2      PRO  10  13.336   4.029  -3.567
  242    HG3  PRO  10           HG1      PRO  10  14.000   3.452  -2.028
  243    HD2  PRO  10           HD2      PRO  10  11.222   3.207  -3.099
  244    HD3  PRO  10           HD1      PRO  10  12.226   2.015  -2.240
  245    H    SER  11           HN       SER  11  12.220   6.830   0.838
  246    HA   SER  11           HA       SER  11   9.608   7.799   1.203
  247    HB2  SER  11           HB2      SER  11  12.177   9.368   1.161
  248    HB3  SER  11           HB1      SER  11  10.738   9.663   2.136
  249    HG   SER  11           HG       SER  11  11.226   7.455   3.048
  250    H    GLY  12           HN       GLY  12   8.270   8.752  -0.252
  251    HA2  GLY  12           HA2      GLY  12   7.991  10.613  -1.758
  252    HA3  GLY  12           HA1      GLY  12   9.541  10.190  -2.473
  253    H    THR  13           HN       THR  13   8.272   7.312  -1.911
  254    HA   THR  13           HA       THR  13   7.419   6.984  -4.631
  255    HB   THR  13           HB       THR  13   7.423   4.973  -2.359
  256    HG1  THR  13           HG1      THR  13   9.481   5.489  -2.586
  257   HG21  THR  13          HG21      THR  13   7.416   4.588  -5.364
  258   HG22  THR  13          HG22      THR  13   6.047   4.302  -4.292
  259   HG23  THR  13          HG23      THR  13   7.493   3.301  -4.161
  260    H    CYS  14           HN       CYS  14   5.341   6.941  -5.322
  261    HA   CYS  14           HA       CYS  14   3.232   6.829  -3.308
  262    HB2  CYS  14           HB2      CYS  14   3.445   9.056  -4.363
  263    HB3  CYS  14           HB1      CYS  14   3.220   8.325  -5.954
  264    H    ALA  15           HN       ALA  15   1.434   5.583  -3.875
  265    HA   ALA  15           HA       ALA  15   1.939   3.774  -6.138
  266    HB1  ALA  15           HB1      ALA  15   1.344   1.847  -4.788
  267    HB2  ALA  15           HB2      ALA  15   1.083   2.891  -3.389
  268    HB3  ALA  15           HB3      ALA  15   2.701   2.714  -4.062
  269    H    ASP  16           HN       ASP  16   0.149   2.662  -6.944
  270    HA   ASP  16           HA       ASP  16  -2.323   4.198  -6.797
  271    HB2  ASP  16           HB2      ASP  16  -1.430   3.825  -9.022
  272    HB3  ASP  16           HB1      ASP  16  -1.311   2.099  -8.733
  273    H    PHE  17           HN       PHE  17  -3.660   3.509  -5.247
  274    HA   PHE  17           HA       PHE  17  -3.979   0.625  -4.835
  275    HB2  PHE  17           HB2      PHE  17  -4.665   2.988  -3.094
  276    HB3  PHE  17           HB1      PHE  17  -5.148   1.341  -2.739
  277    HD1  PHE  17           HD1      PHE  17  -3.627  -0.203  -1.820
  278    HD2  PHE  17           HD2      PHE  17  -2.333   3.674  -2.966
  279    HE1  PHE  17           HE1      PHE  17  -1.570  -0.524  -0.544
  280    HE2  PHE  17           HE2      PHE  17  -0.258   3.358  -1.694
  281    HZ   PHE  17           HZ       PHE  17   0.121   1.254  -0.478
  282    HA   PRO  18           HA       PRO  18  -8.227   1.049  -6.304
  283    HB2  PRO  18           HB2      PRO  18  -9.091  -0.766  -4.149
  284    HB3  PRO  18           HB1      PRO  18  -9.165  -1.017  -5.896
  285    HG2  PRO  18           HG2      PRO  18  -7.451  -2.391  -4.364
  286    HG3  PRO  18           HG1      PRO  18  -7.007  -1.854  -5.993
  287    HD2  PRO  18           HD2      PRO  18  -6.302  -0.641  -3.345
  288    HD3  PRO  18           HD1      PRO  18  -5.271  -0.933  -4.765
  289    H    TRP  19           HN       TRP  19 -10.447   1.538  -5.364
  290    HA   TRP  19           HA       TRP  19 -10.294   3.723  -3.559
  291    HB2  TRP  19           HB2      TRP  19 -11.956   3.411  -5.456
  292    HB3  TRP  19           HB1      TRP  19 -12.742   2.183  -4.475
  293    HD1  TRP  19           HD1      TRP  19 -12.128   5.967  -4.598
  294    HE1  TRP  19           HE1      TRP  19 -13.939   7.126  -3.182
  295    HE3  TRP  19          3HE       TRP  19 -14.377   1.845  -2.617
  296    HZ2  TRP  19           HZ2      TRP  19 -16.024   6.392  -1.460
  297    HZ3  TRP  19           HZ3      TRP  19 -16.271   2.161  -1.085
  298    HH2  TRP  19          2HH       TRP  19 -17.076   4.397  -0.522
  299    HA   PRO  20           HA       PRO  20 -11.486   4.725  -2.024
  300    HB2  PRO  20           HB2      PRO  20 -11.744   5.435   0.515
  301    HB3  PRO  20           HB1      PRO  20 -13.028   4.555  -0.318
  302    HG2  PRO  20           HG2      PRO  20 -11.119   3.592   1.737
  303    HG3  PRO  20           HG1      PRO  20 -12.752   3.032   1.371
  304    HD2  PRO  20           HD2      PRO  20 -10.263   1.915   0.485
  305    HD3  PRO  20           HD1      PRO  20 -11.900   1.359   0.101
  306    H    LEU  21           HN       LEU  21  -8.805   3.189  -1.528
  307    HA   LEU  21           HA       LEU  21  -7.281   5.104  -0.007
  308    HB2  LEU  21           HB2      LEU  21  -6.361   2.800  -1.713
  309    HB3  LEU  21           HB1      LEU  21  -5.345   3.719  -0.621
  310    HG   LEU  21           HG       LEU  21  -7.650   1.941   0.172
  311   HD11  LEU  21          HD11      LEU  21  -5.967   0.562   1.176
  312   HD12  LEU  21          HD12      LEU  21  -4.698   1.638   0.593
  313   HD13  LEU  21          HD13      LEU  21  -5.668   0.701  -0.562
  314   HD21  LEU  21          HD21      LEU  21  -5.723   3.509   1.846
  315   HD22  LEU  21          HD22      LEU  21  -6.895   2.328   2.442
  316   HD23  LEU  21          HD23      LEU  21  -7.449   3.796   1.632
  317    H    GLY  22           HN       GLY  22  -7.326   4.059  -3.415
  318    HA2  GLY  22           HA2      GLY  22  -6.920   5.262  -5.338
  319    HA3  GLY  22           HA1      GLY  22  -6.968   6.731  -4.369
  320    H    HIS  23           HN       HIS  23  -5.153   7.639  -5.359
  321    HA   HIS  23           HA       HIS  23  -2.654   6.222  -5.324
  322    HB2  HIS  23           HB2      HIS  23  -3.317   9.104  -5.940
  323    HB3  HIS  23           HB1      HIS  23  -1.674   8.483  -5.936
  324    HD1  HIS  23           HD1      HIS  23  -4.809   8.520  -7.951
  325    HD2  HIS  23           HD2      HIS  23  -1.035   6.806  -8.080
  326    HE1  HIS  23           HE1      HIS  23  -4.491   7.704 -10.315
  327    H    GLN  24           HN       GLN  24  -1.940   5.743  -3.369
  328    HA   GLN  24           HA       GLN  24  -1.883   7.901  -1.433
  329    HB2  GLN  24           HB2      GLN  24  -1.580   4.944  -1.041
  330    HB3  GLN  24           HB1      GLN  24  -1.149   6.108   0.209
  331    HG2  GLN  24           HG2      GLN  24  -3.426   7.025   0.062
  332    HG3  GLN  24           HG1      GLN  24  -3.839   5.724  -1.053
  333   HE21  GLN  24          1HE2      GLN  24  -4.766   6.487   1.545
  334   HE22  GLN  24          2HE2      GLN  24  -4.663   5.082   2.557
  335    H    CYS  25           HN       CYS  25  -0.246   8.918  -0.992
  336    HA   CYS  25           HA       CYS  25   2.243   8.053  -2.247
  337    HB2  CYS  25           HB2      CYS  25   1.358  10.836  -1.464
  338    HB3  CYS  25           HB1      CYS  25   2.858  10.446  -2.286
  339    H    PHE  26           HN       PHE  26   4.160   8.017  -1.055
  340    HA   PHE  26           HA       PHE  26   3.674   8.090   1.828
  341    HB2  PHE  26           HB2      PHE  26   5.447   6.214   0.273
  342    HB3  PHE  26           HB1      PHE  26   5.215   6.195   2.013
  343    HD1  PHE  26           HD1      PHE  26   2.814   5.795   2.855
  344    HD2  PHE  26           HD2      PHE  26   4.093   4.947  -1.112
  345    HE1  PHE  26           HE1      PHE  26   0.922   4.257   2.573
  346    HE2  PHE  26           HE2      PHE  26   2.200   3.408  -1.396
  347    HZ   PHE  26           HZ       PHE  26   0.610   3.066   0.455
  348    HA   PRO  27           HA       PRO  27   7.000  11.162   1.197
  349    HB2  PRO  27           HB2      PRO  27   6.719  12.348   3.645
  350    HB3  PRO  27           HB1      PRO  27   5.735  12.771   2.241
  351    HG2  PRO  27           HG2      PRO  27   5.079  10.983   4.543
  352    HG3  PRO  27           HG1      PRO  27   4.051  12.163   3.711
  353    HD2  PRO  27           HD2      PRO  27   3.881   9.514   3.261
  354    HD3  PRO  27           HD1      PRO  27   3.568  10.709   1.989
  355    H    ASP  28           HN       ASP  28   6.632   9.103   4.064
  356    HA   ASP  28           HA       ASP  28   9.549   9.280   4.369
  357    HB2  ASP  28           HB2      ASP  28   9.360   8.244   6.523
  358    HB3  ASP  28           HB1      ASP  28   8.060   9.421   6.443
  Start of MODEL   16
    1    H1   GLY   1           HN       GLY   1  -6.145  -7.730   4.288
    2    HA2  GLY   1           HA2      GLY   1  -7.089  -5.820   3.408
    3    HA3  GLY   1           HA1      GLY   1  -7.868  -5.515   4.957
    4    H    PHE   2           HN       PHE   2  -6.990  -3.318   4.233
    5    HA   PHE   2           HA       PHE   2  -4.591  -2.756   5.711
    6    HB2  PHE   2           HB2      PHE   2  -3.685  -3.414   3.505
    7    HB3  PHE   2           HB1      PHE   2  -4.742  -2.257   2.723
    8    HD1  PHE   2           HD1      PHE   2  -4.047  -0.049   2.395
    9    HD2  PHE   2           HD2      PHE   2  -1.888  -2.556   5.064
   10    HE1  PHE   2           HE1      PHE   2  -2.277   1.645   2.543
   11    HE2  PHE   2           HE2      PHE   2  -0.114  -0.863   5.220
   12    HZ   PHE   2           HZ       PHE   2  -0.307   1.242   3.959
   13    H    CYS   3           HN       CYS   3  -4.582  -0.518   6.274
   14    HA   CYS   3           HA       CYS   3  -6.629   1.102   5.023
   15    HB2  CYS   3           HB2      CYS   3  -7.627   0.041   7.055
   16    HB3  CYS   3           HB1      CYS   3  -6.404   0.851   8.031
   17    H    TRP   4           HN       TRP   4  -6.038   3.143   4.722
   18    HA   TRP   4           HA       TRP   4  -3.875   4.334   6.203
   19    HB2  TRP   4           HB2      TRP   4  -2.792   2.976   4.349
   20    HB3  TRP   4           HB1      TRP   4  -3.681   3.961   3.199
   21    HD1  TRP   4           HD1      TRP   4  -2.885   6.573   2.978
   22    HE1  TRP   4           HE1      TRP   4  -0.617   7.680   3.465
   23    HE3  TRP   4          3HE       TRP   4  -0.776   2.887   5.821
   24    HZ2  TRP   4           HZ2      TRP   4   1.755   7.073   4.855
   25    HZ3  TRP   4           HZ3      TRP   4   1.499   3.225   6.680
   26    HH2  TRP   4          2HH       TRP   4   2.739   5.276   6.206
   27    H    HIS   5           HN       HIS   5  -4.082   6.528   6.114
   28    HA   HIS   5           HA       HIS   5  -5.032   8.568   5.875
   29    HB2  HIS   5           HB2      HIS   5  -4.272   8.077   3.467
   30    HB3  HIS   5           HB1      HIS   5  -5.944   7.652   3.128
   31    HD1  HIS   5           HD1      HIS   5  -7.091   9.569   1.968
   32    HD2  HIS   5           HD2      HIS   5  -4.238  10.849   4.706
   33    HE1  HIS   5           HE1      HIS   5  -7.056  12.090   1.833
   34    H    HIS   6           HN       HIS   6  -6.502   6.333   6.962
   35    HA   HIS   6           HA       HIS   6  -8.431   5.801   7.887
   36    HB2  HIS   6           HB2      HIS   6  -9.254   8.562   7.018
   37    HB3  HIS   6           HB1      HIS   6 -10.344   7.499   7.902
   38    HD1  HIS   6           HD1      HIS   6 -10.112   7.514  10.407
   39    HD2  HIS   6           HD2      HIS   6  -6.827   9.157   8.485
   40    HE1  HIS   6           HE1      HIS   6  -8.665   8.518  12.223
   41    H    SER   7           HN       SER   7  -7.998   5.642   4.838
   42    HA   SER   7           HA       SER   7 -10.685   4.731   4.179
   43    HB2  SER   7           HB2      SER   7  -8.211   5.057   2.469
   44    HB3  SER   7           HB1      SER   7  -9.851   4.731   1.892
   45    HG   SER   7           HG       SER   7 -10.246   6.799   3.228
   46    H    CYS   8           HN       CYS   8 -10.997   2.536   4.311
   47    HA   CYS   8           HA       CYS   8  -8.579   0.904   4.650
   48    HB2  CYS   8           HB2      CYS   8 -11.291   0.358   5.851
   49    HB3  CYS   8           HB1      CYS   8  -9.788  -0.473   6.193
   50    H    VAL   9           HN       VAL   9  -8.454  -0.970   3.492
   51    HA   VAL   9           HA       VAL   9 -10.732  -1.607   1.770
   52    HB   VAL   9           HB       VAL   9  -9.140  -2.834   0.289
   53   HG11  VAL   9          HG11      VAL   9  -8.493   0.055   0.749
   54   HG12  VAL   9          HG12      VAL   9  -9.734  -0.601  -0.323
   55   HG13  VAL   9          3HG1      VAL   9  -8.025  -0.857  -0.686
   56   HG21  VAL   9          HG21      VAL   9  -6.986  -1.623   2.032
   57   HG22  VAL   9          HG22      VAL   9  -6.713  -2.478   0.514
   58   HG23  VAL   9          HG23      VAL   9  -7.375  -3.338   1.904
   59    HA   PRO  10           HA       PRO  10 -11.277  -5.232   4.141
   60    HB2  PRO  10           HB2      PRO  10 -12.605  -6.801   2.390
   61    HB3  PRO  10           HB1      PRO  10 -13.335  -5.383   3.150
   62    HG2  PRO  10           HG2      PRO  10 -12.140  -5.658   0.424
   63    HG3  PRO  10           HG1      PRO  10 -13.635  -4.843   0.914
   64    HD2  PRO  10           HD2      PRO  10 -11.321  -3.508   0.437
   65    HD3  PRO  10           HD1      PRO  10 -12.525  -2.958   1.619
   66    H    SER  11           HN       SER  11 -10.915  -7.544   4.210
   67    HA   SER  11           HA       SER  11  -8.336  -8.284   3.489
   68    HB2  SER  11           HB2      SER  11 -10.677 -10.032   4.275
   69    HB3  SER  11           HB1      SER  11  -8.961 -10.406   4.456
   70    HG   SER  11           HG       SER  11  -9.433  -9.635   6.391
   71    H    GLY  12           HN       GLY  12  -7.598  -9.020   1.573
   72    HA2  GLY  12           HA2      GLY  12  -7.843 -10.732  -0.143
   73    HA3  GLY  12           HA1      GLY  12  -9.537 -10.278  -0.254
   74    H    THR  13           HN       THR  13  -8.208  -7.420   0.173
   75    HA   THR  13           HA       THR  13  -8.143  -6.878  -2.644
   76    HB   THR  13           HB       THR  13  -7.789  -5.010  -0.275
   77    HG1  THR  13           HG1      THR  13  -9.906  -6.227  -0.758
   78   HG21  THR  13          HG21      THR  13  -6.849  -4.087  -2.366
   79   HG22  THR  13          HG22      THR  13  -8.305  -3.215  -1.888
   80   HG23  THR  13          HG23      THR  13  -8.377  -4.404  -3.188
   81    H    CYS  14           HN       CYS  14  -6.345  -6.589  -3.849
   82    HA   CYS  14           HA       CYS  14  -3.775  -6.731  -2.463
   83    HB2  CYS  14           HB2      CYS  14  -4.337  -7.545  -5.328
   84    HB3  CYS  14           HB1      CYS  14  -2.889  -7.885  -4.396
   85    H    ALA  15           HN       ALA  15  -1.937  -5.545  -3.701
   86    HA   ALA  15           HA       ALA  15  -2.880  -3.376  -5.373
   87    HB1  ALA  15           HB1      ALA  15  -3.041  -2.466  -3.100
   88    HB2  ALA  15           HB2      ALA  15  -1.762  -1.669  -4.017
   89    HB3  ALA  15           HB3      ALA  15  -1.352  -2.888  -2.811
   90    H    ASP  16           HN       ASP  16  -1.241  -2.493  -6.663
   91    HA   ASP  16           HA       ASP  16   1.081  -4.257  -6.846
   92    HB2  ASP  16           HB2      ASP  16  -0.417  -3.963  -8.842
   93    HB3  ASP  16           HB1      ASP  16   0.106  -2.282  -8.908
   94    H    PHE  17           HN       PHE  17   2.975  -3.557  -6.169
   95    HA   PHE  17           HA       PHE  17   3.453  -0.670  -5.966
   96    HB2  PHE  17           HB2      PHE  17   4.493  -2.964  -4.298
   97    HB3  PHE  17           HB1      PHE  17   5.020  -1.301  -4.139
   98    HD1  PHE  17           HD1      PHE  17   3.595   0.332  -3.108
   99    HD2  PHE  17           HD2      PHE  17   2.400  -3.730  -3.440
  100    HE1  PHE  17           HE1      PHE  17   1.901   0.702  -1.397
  101    HE2  PHE  17           HE2      PHE  17   0.684  -3.370  -1.724
  102    HZ   PHE  17           HZ       PHE  17   0.438  -1.142  -0.695
  103    HA   PRO  18           HA       PRO  18   7.277  -1.721  -8.199
  104    HB2  PRO  18           HB2      PRO  18   8.894   0.227  -6.868
  105    HB3  PRO  18           HB1      PRO  18   8.111   0.384  -8.440
  106    HG2  PRO  18           HG2      PRO  18   7.442   1.842  -6.179
  107    HG3  PRO  18           HG1      PRO  18   6.403   1.597  -7.593
  108    HD2  PRO  18           HD2      PRO  18   6.342   0.231  -4.940
  109    HD3  PRO  18           HD1      PRO  18   5.012   0.691  -6.012
  110    H    TRP  19           HN       TRP  19   9.634  -2.225  -7.747
  111    HA   TRP  19           HA       TRP  19   9.988  -4.172  -5.800
  112    HB2  TRP  19           HB2      TRP  19  11.398  -3.829  -7.868
  113    HB3  TRP  19           HB1      TRP  19  12.141  -2.447  -7.078
  114    HD1  TRP  19           HD1      TRP  19  12.079  -6.254  -7.015
  115    HE1  TRP  19           HE1      TRP  19  14.066  -7.100  -5.638
  116    HE3  TRP  19          3HE       TRP  19  13.754  -1.801  -5.191
  117    HZ2  TRP  19           HZ2      TRP  19  16.077  -6.035  -4.004
  118    HZ3  TRP  19           HZ3      TRP  19  15.717  -1.800  -3.725
  119    HH2  TRP  19          2HH       TRP  19  16.858  -3.878  -3.142
  120    HA   PRO  20           HA       PRO  20  11.291  -5.044  -4.419
  121    HB2  PRO  20           HB2      PRO  20  11.736  -5.694  -1.823
  122    HB3  PRO  20           HB1      PRO  20  12.981  -5.073  -2.904
  123    HG2  PRO  20           HG2      PRO  20  11.730  -3.768  -0.618
  124    HG3  PRO  20           HG1      PRO  20  13.165  -3.302  -1.533
  125    HD2  PRO  20           HD2      PRO  20  10.434  -2.289  -1.757
  126    HD3  PRO  20           HD1      PRO  20  11.926  -1.633  -2.451
  127    H    LEU  21           HN       LEU  21   8.791  -3.368  -3.318
  128    HA   LEU  21           HA       LEU  21   7.415  -5.305  -1.718
  129    HB2  LEU  21           HB2      LEU  21   6.360  -2.894  -3.203
  130    HB3  LEU  21           HB1      LEU  21   5.453  -3.829  -2.032
  131    HG   LEU  21           HG       LEU  21   7.898  -2.151  -1.452
  132   HD11  LEU  21          HD11      LEU  21   5.906  -0.805  -1.892
  133   HD12  LEU  21          HD12      LEU  21   6.377  -0.780  -0.181
  134   HD13  LEU  21          HD13      LEU  21   5.018  -1.772  -0.700
  135   HD21  LEU  21          HD21      LEU  21   7.783  -4.061  -0.057
  136   HD22  LEU  21          HD22      LEU  21   6.110  -3.696   0.384
  137   HD23  LEU  21          HD23      LEU  21   7.420  -2.611   0.874
  138    H    GLY  22           HN       GLY  22   7.140  -4.109  -5.017
  139    HA2  GLY  22           HA2      GLY  22   6.369  -5.114  -6.936
  140    HA3  GLY  22           HA1      GLY  22   6.532  -6.667  -6.114
  141    H    HIS  23           HN       HIS  23   4.505  -7.388  -6.938
  142    HA   HIS  23           HA       HIS  23   2.210  -5.864  -6.130
  143    HB2  HIS  23           HB2      HIS  23   2.364  -7.341  -8.235
  144    HB3  HIS  23           HB1      HIS  23   2.174  -8.710  -7.142
  145    HD1  HIS  23           HD1      HIS  23   0.331  -5.955  -8.778
  146    HD2  HIS  23           HD2      HIS  23  -0.395  -8.900  -5.943
  147    HE1  HIS  23           HE1      HIS  23  -2.188  -6.087  -8.531
  148    H    GLN  24           HN       GLN  24   1.346  -5.992  -4.208
  149    HA   GLN  24           HA       GLN  24   1.904  -8.351  -2.577
  150    HB2  GLN  24           HB2      GLN  24   1.798  -5.451  -1.748
  151    HB3  GLN  24           HB1      GLN  24   1.678  -6.773  -0.599
  152    HG2  GLN  24           HG2      GLN  24   3.881  -7.559  -1.262
  153    HG3  GLN  24           HG1      GLN  24   4.006  -6.247  -2.433
  154   HE21  GLN  24          1HE2      GLN  24   5.648  -6.930  -0.090
  155   HE22  GLN  24          2HE2      GLN  24   5.637  -5.523   0.903
  156    H    CYS  25           HN       CYS  25   0.240  -8.648  -0.901
  157    HA   CYS  25           HA       CYS  25  -2.265  -7.505  -1.731
  158    HB2  CYS  25           HB2      CYS  25  -1.996  -9.703  -2.901
  159    HB3  CYS  25           HB1      CYS  25  -1.982 -10.484  -1.319
  160    H    PHE  26           HN       PHE  26  -3.920  -7.580  -0.095
  161    HA   PHE  26           HA       PHE  26  -2.671  -7.750   2.527
  162    HB2  PHE  26           HB2      PHE  26  -5.021  -6.069   1.648
  163    HB3  PHE  26           HB1      PHE  26  -4.220  -6.013   3.217
  164    HD1  PHE  26           HD1      PHE  26  -1.655  -5.512   3.137
  165    HD2  PHE  26           HD2      PHE  26  -4.382  -4.566   0.015
  166    HE1  PHE  26           HE1      PHE  26  -0.080  -3.838   2.273
  167    HE2  PHE  26           HE2      PHE  26  -2.811  -2.890  -0.851
  168    HZ   PHE  26           HZ       PHE  26  -0.652  -2.530   0.281
  169    HA   PRO  27           HA       PRO  27  -5.634 -11.175   2.654
  170    HB2  PRO  27           HB2      PRO  27  -4.482 -12.477   4.729
  171    HB3  PRO  27           HB1      PRO  27  -3.848 -12.570   3.083
  172    HG2  PRO  27           HG2      PRO  27  -2.924 -10.885   5.373
  173    HG3  PRO  27           HG1      PRO  27  -1.957 -11.793   4.200
  174    HD2  PRO  27           HD2      PRO  27  -2.366  -9.121   4.030
  175    HD3  PRO  27           HD1      PRO  27  -2.133 -10.144   2.601
  176    H    ASP  28           HN       ASP  28  -4.709  -8.965   5.159
  177    HA   ASP  28           HA       ASP  28  -7.216  -9.561   6.606
  178    HB2  ASP  28           HB2      ASP  28  -4.790  -8.067   7.639
  179    HB3  ASP  28           HB1      ASP  28  -6.236  -8.461   8.552
  180    H1   GLY   1           HN       GLY   1   7.669   7.574   2.656
  181    HA2  GLY   1           HA2      GLY   1   8.559   5.713   1.494
  182    HA3  GLY   1           HA1      GLY   1   9.627   5.407   2.867
  183    H    PHE   2           HN       PHE   2   8.514   3.201   2.319
  184    HA   PHE   2           HA       PHE   2   6.418   2.829   4.267
  185    HB2  PHE   2           HB2      PHE   2   5.162   3.481   2.253
  186    HB3  PHE   2           HB1      PHE   2   5.972   2.230   1.333
  187    HD1  PHE   2           HD1      PHE   2   4.862   0.246   1.005
  188    HD2  PHE   2           HD2      PHE   2   3.863   2.625   4.385
  189    HE1  PHE   2           HE1      PHE   2   3.043  -1.307   1.551
  190    HE2  PHE   2           HE2      PHE   2   2.041   1.071   4.942
  191    HZ   PHE   2           HZ       PHE   2   1.629  -0.897   3.522
  192    H    CYS   3           HN       CYS   3   6.393   0.749   5.023
  193    HA   CYS   3           HA       CYS   3   8.165  -1.182   3.734
  194    HB2  CYS   3           HB2      CYS   3   7.954  -0.551   6.686
  195    HB3  CYS   3           HB1      CYS   3   8.798  -1.943   6.025
  196    H    TRP   4           HN       TRP   4   7.167  -3.046   3.381
  197    HA   TRP   4           HA       TRP   4   5.128  -3.963   5.198
  198    HB2  TRP   4           HB2      TRP   4   3.889  -2.590   3.512
  199    HB3  TRP   4           HB1      TRP   4   4.518  -3.632   2.245
  200    HD1  TRP   4           HD1      TRP   4   3.341  -6.015   1.942
  201    HE1  TRP   4           HE1      TRP   4   1.199  -7.046   2.891
  202    HE3  TRP   4          3HE       TRP   4   2.421  -2.622   5.644
  203    HZ2  TRP   4           HZ2      TRP   4  -0.660  -6.478   4.960
  204    HZ3  TRP   4           HZ3      TRP   4   0.437  -2.940   7.058
  205    HH2  TRP   4          2HH       TRP   4  -1.063  -4.821   6.721
  206    H    HIS   5           HN       HIS   5   5.306  -6.092   5.404
  207    HA   HIS   5           HA       HIS   5   5.883  -8.276   5.094
  208    HB2  HIS   5           HB2      HIS   5   4.528  -7.849   2.975
  209    HB3  HIS   5           HB1      HIS   5   6.050  -7.581   2.145
  210    HD1  HIS   5           HD1      HIS   5   6.778  -9.581   0.895
  211    HD2  HIS   5           HD2      HIS   5   4.549 -10.566   4.246
  212    HE1  HIS   5           HE1      HIS   5   6.502 -12.083   0.828
  213    H    HIS   6           HN       HIS   6   7.818  -6.269   5.628
  214    HA   HIS   6           HA       HIS   6   9.987  -6.030   6.054
  215    HB2  HIS   6           HB2      HIS   6  10.235  -8.852   5.003
  216    HB3  HIS   6           HB1      HIS   6  11.575  -7.954   5.707
  217    HD1  HIS   6           HD1      HIS   6  11.464  -7.518   8.315
  218    HD2  HIS   6           HD2      HIS   6   8.381  -9.827   6.756
  219    HE1  HIS   6           HE1      HIS   6  10.328  -8.594  10.293
  220    H    SER   7           HN       SER   7   8.841  -5.381   3.366
  221    HA   SER   7           HA       SER   7  11.426  -5.001   2.077
  222    HB2  SER   7           HB2      SER   7   8.659  -5.368   0.942
  223    HB3  SER   7           HB1      SER   7  10.072  -4.960  -0.060
  224    HG   SER   7           HG       SER   7  10.452  -7.127   1.555
  225    H    CYS   8           HN       CYS   8  11.896  -2.787   1.644
  226    HA   CYS   8           HA       CYS   8   9.785  -0.908   2.421
  227    HB2  CYS   8           HB2      CYS   8  12.732  -0.768   3.025
  228    HB3  CYS   8           HB1      CYS   8  11.587   0.532   3.319
  229    H    VAL   9           HN       VAL   9   9.504   0.858   1.228
  230    HA   VAL   9           HA       VAL   9  11.270   1.217  -1.065
  231    HB   VAL   9           HB       VAL   9   9.373   2.521  -2.134
  232   HG11  VAL   9          HG11      VAL   9   8.846  -0.358  -1.462
  233   HG12  VAL   9          HG12      VAL   9   9.821   0.242  -2.803
  234   HG13  VAL   9          3HG1      VAL   9   8.079   0.527  -2.779
  235   HG21  VAL   9          HG21      VAL   9   7.094   2.165  -1.269
  236   HG22  VAL   9          HG22      VAL   9   8.097   3.045  -0.116
  237   HG23  VAL   9          HG23      VAL   9   7.768   1.332   0.133
  238    HA   PRO  10           HA       PRO  10  12.615   5.033   0.712
  239    HB2  PRO  10           HB2      PRO  10  12.890   6.138  -2.002
  240    HB3  PRO  10           HB1      PRO  10  14.137   5.816  -0.794
  241    HG2  PRO  10           HG2      PRO  10  13.923   4.310  -2.980
  242    HG3  PRO  10           HG1      PRO  10  14.353   3.606  -1.414
  243    HD2  PRO  10           HD2      PRO  10  11.704   3.630  -2.810
  244    HD3  PRO  10           HD1      PRO  10  12.544   2.291  -1.991
  245    H    SER  11           HN       SER  11  12.282   7.374   0.717
  246    HA   SER  11           HA       SER  11   9.583   8.075   0.826
  247    HB2  SER  11           HB2      SER  11  10.624  10.377   1.183
  248    HB3  SER  11           HB1      SER  11  11.079   9.114   2.323
  249    HG   SER  11           HG       SER  11  12.545  10.130   0.132
  250    H    GLY  12           HN       GLY  12   8.291   8.879  -0.710
  251    HA2  GLY  12           HA2      GLY  12   8.023  10.449  -2.547
  252    HA3  GLY  12           HA1      GLY  12   9.587   9.902  -3.145
  253    H    THR  13           HN       THR  13   8.395   7.148  -2.127
  254    HA   THR  13           HA       THR  13   7.492   6.347  -4.709
  255    HB   THR  13           HB       THR  13   7.263   4.850  -2.072
  256    HG1  THR  13           HG1      THR  13   9.411   5.199  -2.346
  257   HG21  THR  13          HG21      THR  13   7.300   3.871  -4.938
  258   HG22  THR  13          HG22      THR  13   5.887   3.911  -3.885
  259   HG23  THR  13          HG23      THR  13   7.239   2.843  -3.507
  260    H    CYS  14           HN       CYS  14   5.488   6.707  -5.448
  261    HA   CYS  14           HA       CYS  14   3.343   7.048  -3.507
  262    HB2  CYS  14           HB2      CYS  14   3.340   7.900  -6.410
  263    HB3  CYS  14           HB1      CYS  14   2.173   8.347  -5.180
  264    H    ALA  15           HN       ALA  15   1.584   5.634  -3.610
  265    HA   ALA  15           HA       ALA  15   1.865   3.554  -5.643
  266    HB1  ALA  15           HB1      ALA  15   1.247   1.893  -4.000
  267    HB2  ALA  15           HB2      ALA  15   1.108   3.142  -2.765
  268    HB3  ALA  15           HB3      ALA  15   2.682   2.775  -3.474
  269    H    ASP  16           HN       ASP  16   0.089   2.748  -6.504
  270    HA   ASP  16           HA       ASP  16  -2.374   4.238  -6.095
  271    HB2  ASP  16           HB2      ASP  16  -1.604   4.111  -8.385
  272    HB3  ASP  16           HB1      ASP  16  -1.475   2.362  -8.279
  273    H    PHE  17           HN       PHE  17  -3.605   3.404  -4.573
  274    HA   PHE  17           HA       PHE  17  -3.835   0.513  -4.381
  275    HB2  PHE  17           HB2      PHE  17  -4.746   2.743  -2.568
  276    HB3  PHE  17           HB1      PHE  17  -5.110   1.046  -2.302
  277    HD1  PHE  17           HD1      PHE  17  -3.536  -0.395  -1.346
  278    HD2  PHE  17           HD2      PHE  17  -2.444   3.585  -2.352
  279    HE1  PHE  17           HE1      PHE  17  -1.520  -0.624  -0.005
  280    HE2  PHE  17           HE2      PHE  17  -0.399   3.368  -1.011
  281    HZ   PHE  17           HZ       PHE  17   0.068   1.249   0.174
  282    HA   PRO  18           HA       PRO  18  -7.877   0.785  -6.245
  283    HB2  PRO  18           HB2      PRO  18  -8.851  -1.225  -4.316
  284    HB3  PRO  18           HB1      PRO  18  -8.722  -1.341  -6.072
  285    HG2  PRO  18           HG2      PRO  18  -7.079  -2.716  -4.472
  286    HG3  PRO  18           HG1      PRO  18  -6.512  -2.017  -6.000
  287    HD2  PRO  18           HD2      PRO  18  -6.171  -0.985  -3.209
  288    HD3  PRO  18           HD1      PRO  18  -4.982  -1.089  -4.522
  289    H    TRP  19           HN       TRP  19 -10.197   1.068  -5.610
  290    HA   TRP  19           HA       TRP  19 -10.474   3.100  -3.649
  291    HB2  TRP  19           HB2      TRP  19 -11.845   2.909  -5.759
  292    HB3  TRP  19           HB1      TRP  19 -12.627   1.490  -5.082
  293    HD1  TRP  19           HD1      TRP  19 -12.516   5.294  -4.759
  294    HE1  TRP  19           HE1      TRP  19 -14.563   6.082  -3.431
  295    HE3  TRP  19          3HE       TRP  19 -14.324   0.751  -3.362
  296    HZ2  TRP  19           HZ2      TRP  19 -16.703   4.896  -1.986
  297    HZ3  TRP  19           HZ3      TRP  19 -16.368   0.651  -2.021
  298    HH2  TRP  19          2HH       TRP  19 -17.533   2.679  -1.344
  299    HA   PRO  20           HA       PRO  20 -11.877   3.874  -2.238
  300    HB2  PRO  20           HB2      PRO  20 -12.332   4.196   0.487
  301    HB3  PRO  20           HB1      PRO  20 -13.563   3.915  -0.742
  302    HG2  PRO  20           HG2      PRO  20 -12.823   2.153   1.358
  303    HG3  PRO  20           HG1      PRO  20 -13.909   1.805   0.007
  304    HD2  PRO  20           HD2      PRO  20 -11.026   1.150   0.347
  305    HD3  PRO  20           HD1      PRO  20 -12.296   0.251  -0.512
  306    H    LEU  21           HN       LEU  21  -9.290   2.256  -1.257
  307    HA   LEU  21           HA       LEU  21  -7.983   3.839   0.712
  308    HB2  LEU  21           HB2      LEU  21  -7.494   1.439  -0.327
  309    HB3  LEU  21           HB1      LEU  21  -6.512   2.359  -1.428
  310    HG   LEU  21           HG       LEU  21  -5.058   1.482   0.187
  311   HD11  LEU  21          HD11      LEU  21  -5.499   4.325   1.010
  312   HD12  LEU  21          HD12      LEU  21  -4.532   3.758  -0.349
  313   HD13  LEU  21          HD13      LEU  21  -4.050   3.355   1.297
  314   HD21  LEU  21          HD21      LEU  21  -6.908   2.506   2.315
  315   HD22  LEU  21          HD22      LEU  21  -5.332   1.777   2.603
  316   HD23  LEU  21          HD23      LEU  21  -6.623   0.823   1.871
  317    H    GLY  22           HN       GLY  22  -7.568   3.607  -2.817
  318    HA2  GLY  22           HA2      GLY  22  -7.391   5.345  -4.344
  319    HA3  GLY  22           HA1      GLY  22  -7.273   6.480  -3.009
  320    H    HIS  23           HN       HIS  23  -5.643   7.132  -4.774
  321    HA   HIS  23           HA       HIS  23  -3.114   5.783  -4.685
  322    HB2  HIS  23           HB2      HIS  23  -3.847   6.971  -6.724
  323    HB3  HIS  23           HB1      HIS  23  -3.908   8.481  -5.828
  324    HD1  HIS  23           HD1      HIS  23  -1.785   9.853  -5.847
  325    HD2  HIS  23           HD2      HIS  23  -1.161   5.909  -6.970
  326    HE1  HIS  23           HE1      HIS  23   0.611   9.710  -6.588
  327    H    GLN  24           HN       GLN  24  -1.692   6.038  -3.111
  328    HA   GLN  24           HA       GLN  24  -1.776   8.504  -1.514
  329    HB2  GLN  24           HB2      GLN  24  -1.239   5.702  -0.502
  330    HB3  GLN  24           HB1      GLN  24  -1.149   7.169   0.456
  331    HG2  GLN  24           HG2      GLN  24  -3.617   6.022  -0.822
  332    HG3  GLN  24           HG1      GLN  24  -3.209   5.970   0.890
  333   HE21  GLN  24          1HE2      GLN  24  -5.497   7.104  -0.480
  334   HE22  GLN  24          2HE2      GLN  24  -5.557   8.768  -0.029
  335    H    CYS  25           HN       CYS  25   0.238   9.303  -0.956
  336    HA   CYS  25           HA       CYS  25   2.396   7.790  -2.166
  337    HB2  CYS  25           HB2      CYS  25   1.905   9.978  -3.320
  338    HB3  CYS  25           HB1      CYS  25   2.393  10.792  -1.834
  339    H    PHE  26           HN       PHE  26   4.421   7.745  -1.096
  340    HA   PHE  26           HA       PHE  26   4.022   8.057   1.783
  341    HB2  PHE  26           HB2      PHE  26   5.808   6.139   0.288
  342    HB3  PHE  26           HB1      PHE  26   5.621   6.204   2.034
  343    HD1  PHE  26           HD1      PHE  26   3.199   5.901   2.925
  344    HD2  PHE  26           HD2      PHE  26   4.477   4.723  -0.957
  345    HE1  PHE  26           HE1      PHE  26   1.300   4.351   2.772
  346    HE2  PHE  26           HE2      PHE  26   2.583   3.171  -1.115
  347    HZ   PHE  26           HZ       PHE  26   0.986   2.988   0.756
  348    HA   PRO  27           HA       PRO  27   7.287  11.172   0.986
  349    HB2  PRO  27           HB2      PRO  27   6.392  12.246   3.562
  350    HB3  PRO  27           HB1      PRO  27   6.421  13.024   1.979
  351    HG2  PRO  27           HG2      PRO  27   4.106  12.327   3.154
  352    HG3  PRO  27           HG1      PRO  27   4.332  12.226   1.398
  353    HD2  PRO  27           HD2      PRO  27   4.476  10.044   3.448
  354    HD3  PRO  27           HD1      PRO  27   3.660  10.061   1.866
  355    H    ASP  28           HN       ASP  28   6.728   9.054   3.650
  356    HA   ASP  28           HA       ASP  28   9.462   9.535   4.641
  357    HB2  ASP  28           HB2      ASP  28   7.263   7.884   5.924
  358    HB3  ASP  28           HB1      ASP  28   8.853   8.170   6.590
  Start of MODEL   17
    1    H1   GLY   1           HN       GLY   1  -6.251  -7.745   4.056
    2    HA2  GLY   1           HA2      GLY   1  -7.236  -5.875   3.069
    3    HA3  GLY   1           HA1      GLY   1  -7.947  -5.457   4.622
    4    H    PHE   2           HN       PHE   2  -7.049  -3.326   3.739
    5    HA   PHE   2           HA       PHE   2  -4.477  -2.928   5.025
    6    HB2  PHE   2           HB2      PHE   2  -3.849  -3.405   2.714
    7    HB3  PHE   2           HB1      PHE   2  -4.970  -2.193   2.128
    8    HD1  PHE   2           HD1      PHE   2  -4.113  -0.140   1.549
    9    HD2  PHE   2           HD2      PHE   2  -2.050  -2.492   4.432
   10    HE1  PHE   2           HE1      PHE   2  -2.311   1.527   1.613
   11    HE2  PHE   2           HE2      PHE   2  -0.247  -0.827   4.505
   12    HZ   PHE   2           HZ       PHE   2  -0.374   1.187   3.093
   13    H    CYS   3           HN       CYS   3  -4.362  -1.031   6.028
   14    HA   CYS   3           HA       CYS   3  -6.449   0.925   5.481
   15    HB2  CYS   3           HB2      CYS   3  -5.332   0.017   8.132
   16    HB3  CYS   3           HB1      CYS   3  -6.300   1.470   7.941
   17    H    TRP   4           HN       TRP   4  -5.791   2.929   5.216
   18    HA   TRP   4           HA       TRP   4  -3.314   3.866   6.220
   19    HB2  TRP   4           HB2      TRP   4  -2.636   2.603   4.169
   20    HB3  TRP   4           HB1      TRP   4  -3.641   3.686   3.219
   21    HD1  TRP   4           HD1      TRP   4  -2.659   6.133   2.750
   22    HE1  TRP   4           HE1      TRP   4  -0.338   7.175   3.104
   23    HE3  TRP   4          3HE       TRP   4  -0.635   2.564   5.777
   24    HZ2  TRP   4           HZ2      TRP   4   2.034   6.566   4.489
   25    HZ3  TRP   4           HZ3      TRP   4   1.664   2.870   6.578
   26    HH2  TRP   4          2HH       TRP   4   2.967   4.827   5.950
   27    H    HIS   5           HN       HIS   5  -3.648   5.844   6.694
   28    HA   HIS   5           HA       HIS   5  -4.516   7.872   6.986
   29    HB2  HIS   5           HB2      HIS   5  -3.269   8.150   4.818
   30    HB3  HIS   5           HB1      HIS   5  -4.791   7.918   3.969
   31    HD1  HIS   5           HD1      HIS   5  -6.072  10.040   3.495
   32    HD2  HIS   5           HD2      HIS   5  -3.352  10.474   6.596
   33    HE1  HIS   5           HE1      HIS   5  -6.097  12.478   4.110
   34    H    HIS   6           HN       HIS   6  -6.296   6.416   7.846
   35    HA   HIS   6           HA       HIS   6  -8.427   6.355   8.563
   36    HB2  HIS   6           HB2      HIS   6  -9.020   8.662   6.679
   37    HB3  HIS   6           HB1      HIS   6 -10.000   8.149   8.041
   38    HD1  HIS   6           HD1      HIS   6  -9.202   8.966  10.431
   39    HD2  HIS   6           HD2      HIS   6  -6.776  10.164   7.275
   40    HE1  HIS   6           HE1      HIS   6  -7.665  10.733  11.356
   41    H    SER   7           HN       SER   7  -7.515   5.333   5.701
   42    HA   SER   7           HA       SER   7 -10.211   4.646   4.747
   43    HB2  SER   7           HB2      SER   7  -7.698   4.983   3.117
   44    HB3  SER   7           HB1      SER   7  -9.345   4.773   2.509
   45    HG   SER   7           HG       SER   7  -8.323   6.935   4.008
   46    H    CYS   8           HN       CYS   8 -10.532   2.452   4.177
   47    HA   CYS   8           HA       CYS   8  -8.216   0.691   4.407
   48    HB2  CYS   8           HB2      CYS   8 -10.883   0.249   5.772
   49    HB3  CYS   8           HB1      CYS   8  -9.586  -0.931   5.685
   50    H    VAL   9           HN       VAL   9  -8.291  -1.102   3.138
   51    HA   VAL   9           HA       VAL   9 -10.583  -1.324   1.324
   52    HB   VAL   9           HB       VAL   9  -9.059  -2.510  -0.283
   53   HG11  VAL   9          HG11      VAL   9  -8.162   0.228   0.535
   54   HG12  VAL   9          HG12      VAL   9  -9.489  -0.142  -0.571
   55   HG13  VAL   9          3HG1      VAL   9  -7.823  -0.521  -1.023
   56   HG21  VAL   9          HG21      VAL   9  -6.621  -2.353   0.033
   57   HG22  VAL   9          HG22      VAL   9  -7.386  -3.318   1.300
   58   HG23  VAL   9          HG23      VAL   9  -6.895  -1.656   1.631
   59    HA   PRO  10           HA       PRO  10 -11.726  -5.209   2.997
   60    HB2  PRO  10           HB2      PRO  10 -11.884  -6.320   0.254
   61    HB3  PRO  10           HB1      PRO  10 -13.138  -6.204   1.490
   62    HG2  PRO  10           HG2      PRO  10 -13.180  -4.585  -0.603
   63    HG3  PRO  10           HG1      PRO  10 -13.587  -3.985   1.015
   64    HD2  PRO  10           HD2      PRO  10 -11.047  -3.666  -0.536
   65    HD3  PRO  10           HD1      PRO  10 -11.942  -2.479   0.440
   66    H    SER  11           HN       SER  11 -11.159  -7.343   3.379
   67    HA   SER  11           HA       SER  11  -8.433  -8.110   3.114
   68    HB2  SER  11           HB2      SER  11 -10.880  -9.736   3.844
   69    HB3  SER  11           HB1      SER  11  -9.202 -10.069   4.287
   70    HG   SER  11           HG       SER  11 -10.681  -8.936   5.874
   71    H    GLY  12           HN       GLY  12  -7.527  -9.021   1.389
   72    HA2  GLY  12           HA2      GLY  12  -7.626 -10.851  -0.185
   73    HA3  GLY  12           HA1      GLY  12  -9.306 -10.419  -0.489
   74    H    THR  13           HN       THR  13  -8.005  -7.540  -0.153
   75    HA   THR  13           HA       THR  13  -7.926  -6.939  -2.909
   76    HB   THR  13           HB       THR  13  -6.888  -5.346  -0.550
   77    HG1  THR  13           HG1      THR  13  -8.984  -5.533  -0.192
   78   HG21  THR  13          HG21      THR  13  -6.019  -4.514  -2.703
   79   HG22  THR  13          HG22      THR  13  -7.182  -3.386  -2.004
   80   HG23  THR  13          HG23      THR  13  -7.666  -4.442  -3.329
   81    H    CYS  14           HN       CYS  14  -6.293  -7.359  -4.272
   82    HA   CYS  14           HA       CYS  14  -3.614  -7.622  -3.162
   83    HB2  CYS  14           HB2      CYS  14  -4.686  -8.646  -5.808
   84    HB3  CYS  14           HB1      CYS  14  -3.075  -8.936  -5.174
   85    H    ALA  15           HN       ALA  15  -1.908  -6.351  -4.071
   86    HA   ALA  15           HA       ALA  15  -2.630  -4.475  -6.160
   87    HB1  ALA  15           HB1      ALA  15  -1.977  -2.524  -4.846
   88    HB2  ALA  15           HB2      ALA  15  -1.716  -3.548  -3.435
   89    HB3  ALA  15           HB3      ALA  15  -3.341  -3.350  -4.091
   90    H    ASP  16           HN       ASP  16  -0.858  -3.594  -7.182
   91    HA   ASP  16           HA       ASP  16   1.605  -4.982  -6.526
   92    HB2  ASP  16           HB2      ASP  16   2.411  -4.584  -8.780
   93    HB3  ASP  16           HB1      ASP  16   0.830  -5.334  -8.846
   94    H    PHE  17           HN       PHE  17   3.361  -4.066  -5.986
   95    HA   PHE  17           HA       PHE  17   3.477  -1.144  -5.766
   96    HB2  PHE  17           HB2      PHE  17   4.611  -3.361  -4.056
   97    HB3  PHE  17           HB1      PHE  17   5.139  -1.699  -3.930
   98    HD1  PHE  17           HD1      PHE  17   3.968  -0.168  -2.641
   99    HD2  PHE  17           HD2      PHE  17   2.243  -3.970  -3.473
  100    HE1  PHE  17           HE1      PHE  17   2.267   0.238  -0.931
  101    HE2  PHE  17           HE2      PHE  17   0.534  -3.567  -1.763
  102    HZ   PHE  17           HZ       PHE  17   0.554  -1.443  -0.482
  103    HA   PRO  18           HA       PRO  18   7.415  -1.747  -7.940
  104    HB2  PRO  18           HB2      PRO  18   8.681   0.305  -6.268
  105    HB3  PRO  18           HB1      PRO  18   8.309   0.370  -7.990
  106    HG2  PRO  18           HG2      PRO  18   7.001   1.881  -6.185
  107    HG3  PRO  18           HG1      PRO  18   6.209   1.250  -7.639
  108    HD2  PRO  18           HD2      PRO  18   6.112   0.214  -4.831
  109    HD3  PRO  18           HD1      PRO  18   4.792   0.416  -6.006
  110    H    TRP  19           HN       TRP  19   9.740  -2.171  -7.380
  111    HA   TRP  19           HA       TRP  19  10.210  -4.038  -5.346
  112    HB2  TRP  19           HB2      TRP  19  11.707  -4.045  -7.187
  113    HB3  TRP  19           HB1      TRP  19  11.984  -2.316  -7.076
  114    HD1  TRP  19           HD1      TRP  19  13.411  -1.555  -5.130
  115    HE1  TRP  19           HE1      TRP  19  15.552  -2.562  -3.975
  116    HE3  TRP  19          3HE       TRP  19  12.692  -6.320  -6.403
  117    HZ2  TRP  19           HZ2      TRP  19  16.666  -5.117  -3.667
  118    HZ3  TRP  19           HZ3      TRP  19  14.271  -8.012  -5.615
  119    HH2  TRP  19          2HH       TRP  19  16.216  -7.437  -4.297
  120    HA   PRO  20           HA       PRO  20  11.757  -4.711  -4.139
  121    HB2  PRO  20           HB2      PRO  20  11.737  -5.130  -1.232
  122    HB3  PRO  20           HB1      PRO  20  13.051  -5.364  -2.391
  123    HG2  PRO  20           HG2      PRO  20  13.138  -3.340  -0.704
  124    HG3  PRO  20           HG1      PRO  20  13.598  -3.196  -2.429
  125    HD2  PRO  20           HD2      PRO  20  10.911  -2.474  -1.202
  126    HD3  PRO  20           HD1      PRO  20  11.997  -1.408  -2.134
  127    H    LEU  21           HN       LEU  21   8.876  -3.543  -3.152
  128    HA   LEU  21           HA       LEU  21   7.776  -5.839  -1.830
  129    HB2  LEU  21           HB2      LEU  21   6.541  -3.291  -2.796
  130    HB3  LEU  21           HB1      LEU  21   5.526  -4.639  -2.349
  131    HG   LEU  21           HG       LEU  21   5.620  -3.107  -0.532
  132   HD11  LEU  21          HD11      LEU  21   7.300  -5.512   0.098
  133   HD12  LEU  21          HD12      LEU  21   5.542  -5.432   0.050
  134   HD13  LEU  21          HD13      LEU  21   6.432  -4.511   1.260
  135   HD21  LEU  21          HD21      LEU  21   7.689  -2.496   0.614
  136   HD22  LEU  21          HD22      LEU  21   7.685  -1.975  -1.075
  137   HD23  LEU  21          HD23      LEU  21   8.621  -3.391  -0.594
  138    H    GLY  22           HN       GLY  22   7.171  -4.400  -5.005
  139    HA2  GLY  22           HA2      GLY  22   6.550  -5.442  -6.968
  140    HA3  GLY  22           HA1      GLY  22   6.878  -6.996  -6.197
  141    H    HIS  23           HN       HIS  23   4.935  -7.889  -7.048
  142    HA   HIS  23           HA       HIS  23   2.437  -6.692  -6.313
  143    HB2  HIS  23           HB2      HIS  23   2.552  -8.032  -8.371
  144    HB3  HIS  23           HB1      HIS  23   2.995  -9.455  -7.435
  145    HD1  HIS  23           HD1      HIS  23   1.033 -10.982  -6.947
  146    HD2  HIS  23           HD2      HIS  23  -0.124  -7.027  -7.494
  147    HE1  HIS  23           HE1      HIS  23  -1.458 -10.955  -6.729
  148    H    GLN  24           HN       GLN  24   1.418  -6.863  -4.460
  149    HA   GLN  24           HA       GLN  24   1.960  -9.170  -2.749
  150    HB2  GLN  24           HB2      GLN  24   1.829  -6.264  -1.897
  151    HB3  GLN  24           HB1      GLN  24   1.814  -7.621  -0.784
  152    HG2  GLN  24           HG2      GLN  24   4.063  -6.910  -2.665
  153    HG3  GLN  24           HG1      GLN  24   4.021  -6.590  -0.932
  154   HE21  GLN  24          1HE2      GLN  24   5.901  -8.202  -2.515
  155   HE22  GLN  24          2HE2      GLN  24   5.854  -9.778  -1.801
  156    H    CYS  25           HN       CYS  25   0.153  -9.355  -1.066
  157    HA   CYS  25           HA       CYS  25  -2.242  -8.071  -2.001
  158    HB2  CYS  25           HB2      CYS  25  -2.071 -10.363  -3.052
  159    HB3  CYS  25           HB1      CYS  25  -2.117 -11.049  -1.436
  160    H    PHE  26           HN       PHE  26  -3.921  -8.012  -0.373
  161    HA   PHE  26           HA       PHE  26  -2.707  -7.951   2.291
  162    HB2  PHE  26           HB2      PHE  26  -5.072  -6.402   1.225
  163    HB3  PHE  26           HB1      PHE  26  -4.326  -6.190   2.799
  164    HD1  PHE  26           HD1      PHE  26  -1.738  -5.637   2.694
  165    HD2  PHE  26           HD2      PHE  26  -4.510  -4.971  -0.458
  166    HE1  PHE  26           HE1      PHE  26  -0.242  -3.938   1.737
  167    HE2  PHE  26           HE2      PHE  26  -3.022  -3.278  -1.419
  168    HZ   PHE  26           HZ       PHE  26  -0.888  -2.761  -0.323
  169    HA   PRO  27           HA       PRO  27  -5.739 -11.371   2.649
  170    HB2  PRO  27           HB2      PRO  27  -4.323 -11.952   5.142
  171    HB3  PRO  27           HB1      PRO  27  -4.531 -12.982   3.725
  172    HG2  PRO  27           HG2      PRO  27  -2.157 -11.882   4.418
  173    HG3  PRO  27           HG1      PRO  27  -2.603 -12.226   2.744
  174    HD2  PRO  27           HD2      PRO  27  -2.558  -9.641   4.210
  175    HD3  PRO  27           HD1      PRO  27  -2.169  -9.982   2.512
  176    H    ASP  28           HN       ASP  28  -4.828  -9.060   5.117
  177    HA   ASP  28           HA       ASP  28  -7.494  -9.447   6.316
  178    HB2  ASP  28           HB2      ASP  28  -6.664  -8.565   8.400
  179    HB3  ASP  28           HB1      ASP  28  -5.558  -9.822   7.872
  180    H1   GLY   1           HN       GLY   1   7.843   7.734   2.195
  181    HA2  GLY   1           HA2      GLY   1   8.495   5.684   1.360
  182    HA3  GLY   1           HA1      GLY   1   9.475   5.446   2.807
  183    H    PHE   2           HN       PHE   2   8.418   3.236   2.421
  184    HA   PHE   2           HA       PHE   2   6.224   2.988   4.269
  185    HB2  PHE   2           HB2      PHE   2   5.000   3.471   2.223
  186    HB3  PHE   2           HB1      PHE   2   5.899   2.246   1.351
  187    HD1  PHE   2           HD1      PHE   2   4.899   0.208   1.020
  188    HD2  PHE   2           HD2      PHE   2   3.691   2.580   4.342
  189    HE1  PHE   2           HE1      PHE   2   3.148  -1.425   1.546
  190    HE2  PHE   2           HE2      PHE   2   1.938   0.940   4.874
  191    HZ   PHE   2           HZ       PHE   2   1.667  -1.064   3.471
  192    H    CYS   3           HN       CYS   3   6.431   1.130   5.355
  193    HA   CYS   3           HA       CYS   3   8.212  -0.912   4.256
  194    HB2  CYS   3           HB2      CYS   3   7.659  -0.153   7.129
  195    HB3  CYS   3           HB1      CYS   3   8.621  -1.538   6.627
  196    H    TRP   4           HN       TRP   4   7.356  -2.816   3.898
  197    HA   TRP   4           HA       TRP   4   5.131  -3.786   5.439
  198    HB2  TRP   4           HB2      TRP   4   3.978  -2.548   3.675
  199    HB3  TRP   4           HB1      TRP   4   4.938  -3.334   2.439
  200    HD1  TRP   4           HD1      TRP   4   4.215  -5.862   1.780
  201    HE1  TRP   4           HE1      TRP   4   2.069  -7.222   2.212
  202    HE3  TRP   4          3HE       TRP   4   2.063  -2.907   5.364
  203    HZ2  TRP   4           HZ2      TRP   4  -0.215  -7.069   3.829
  204    HZ3  TRP   4           HZ3      TRP   4  -0.116  -3.594   6.292
  205    HH2  TRP   4          2HH       TRP   4  -1.224  -5.623   5.538
  206    H    HIS   5           HN       HIS   5   5.397  -5.887   5.712
  207    HA   HIS   5           HA       HIS   5   6.143  -8.024   5.574
  208    HB2  HIS   5           HB2      HIS   5   4.887  -7.755   3.344
  209    HB3  HIS   5           HB1      HIS   5   6.459  -7.541   2.594
  210    HD1  HIS   5           HD1      HIS   5   6.196  -9.753   1.174
  211    HD2  HIS   5           HD2      HIS   5   5.957 -10.290   5.290
  212    HE1  HIS   5           HE1      HIS   5   6.283 -12.225   1.564
  213    H    HIS   6           HN       HIS   6   7.992  -5.999   6.175
  214    HA   HIS   6           HA       HIS   6  10.100  -5.821   6.791
  215    HB2  HIS   6           HB2      HIS   6  10.540  -8.463   5.385
  216    HB3  HIS   6           HB1      HIS   6  11.837  -7.583   6.178
  217    HD1  HIS   6           HD1      HIS   6  12.069  -7.923   8.679
  218    HD2  HIS   6           HD2      HIS   6   8.491  -9.400   7.171
  219    HE1  HIS   6           HE1      HIS   6  11.008  -9.240  10.556
  220    H    SER   7           HN       SER   7   9.037  -5.265   3.853
  221    HA   SER   7           HA       SER   7  11.679  -4.428   2.879
  222    HB2  SER   7           HB2      SER   7   9.151  -4.992   1.318
  223    HB3  SER   7           HB1      SER   7  10.690  -4.484   0.623
  224    HG   SER   7           HG       SER   7  10.406  -6.787   2.239
  225    H    CYS   8           HN       CYS   8  11.984  -2.253   2.361
  226    HA   CYS   8           HA       CYS   8   9.683  -0.507   2.870
  227    HB2  CYS   8           HB2      CYS   8  12.568  -0.011   3.637
  228    HB3  CYS   8           HB1      CYS   8  11.229   1.101   3.888
  229    H    VAL   9           HN       VAL   9   9.250   0.893   1.329
  230    HA   VAL   9           HA       VAL   9  11.159   1.225  -0.861
  231    HB   VAL   9           HB       VAL   9   9.295   2.394  -2.073
  232   HG11  VAL   9          HG11      VAL   9   8.680  -0.336  -1.025
  233   HG12  VAL   9          HG12      VAL   9   9.631   0.049  -2.464
  234   HG13  VAL   9          3HG1      VAL   9   7.895   0.385  -2.428
  235   HG21  VAL   9          HG21      VAL   9   7.637   1.568   0.309
  236   HG22  VAL   9          HG22      VAL   9   7.005   2.255  -1.189
  237   HG23  VAL   9          HG23      VAL   9   8.043   3.224  -0.140
  238    HA   PRO  10           HA       PRO  10  12.484   5.142   0.597
  239    HB2  PRO  10           HB2      PRO  10  13.122   6.390  -1.727
  240    HB3  PRO  10           HB1      PRO  10  14.100   5.091  -1.031
  241    HG2  PRO  10           HG2      PRO  10  12.056   4.958  -3.215
  242    HG3  PRO  10           HG1      PRO  10  13.657   4.198  -3.138
  243    HD2  PRO  10           HD2      PRO  10  11.396   2.837  -2.608
  244    HD3  PRO  10           HD1      PRO  10  12.917   2.495  -1.760
  245    H    SER  11           HN       SER  11  11.991   7.361   0.683
  246    HA   SER  11           HA       SER  11   9.312   8.071   0.501
  247    HB2  SER  11           HB2      SER  11  11.744   9.861   0.634
  248    HB3  SER  11           HB1      SER  11  10.102  10.259   1.143
  249    HG   SER  11           HG       SER  11  11.422   9.683   2.869
  250    H    GLY  12           HN       GLY  12   8.167   8.955  -1.135
  251    HA2  GLY  12           HA2      GLY  12   8.155  10.487  -3.043
  252    HA3  GLY  12           HA1      GLY  12   9.675   9.748  -3.537
  253    H    THR  13           HN       THR  13   8.461   7.145  -2.521
  254    HA   THR  13           HA       THR  13   7.484   6.239  -5.023
  255    HB   THR  13           HB       THR  13   7.389   4.918  -2.296
  256    HG1  THR  13           HG1      THR  13   9.469   5.090  -2.649
  257   HG21  THR  13          HG21      THR  13   5.882   3.843  -3.930
  258   HG22  THR  13          HG22      THR  13   7.259   2.805  -3.561
  259   HG23  THR  13          HG23      THR  13   7.220   3.712  -5.071
  260    H    CYS  14           HN       CYS  14   5.456   6.499  -5.771
  261    HA   CYS  14           HA       CYS  14   3.344   6.917  -3.812
  262    HB2  CYS  14           HB2      CYS  14   3.352   7.770  -6.718
  263    HB3  CYS  14           HB1      CYS  14   2.162   8.198  -5.505
  264    H    ALA  15           HN       ALA  15   1.358   5.664  -4.100
  265    HA   ALA  15           HA       ALA  15   1.358   3.758  -6.301
  266    HB1  ALA  15           HB1      ALA  15   1.078   2.952  -3.407
  267    HB2  ALA  15           HB2      ALA  15   2.470   2.610  -4.434
  268    HB3  ALA  15           HB3      ALA  15   0.903   1.889  -4.803
  269    H    ASP  16           HN       ASP  16  -0.666   3.107  -6.924
  270    HA   ASP  16           HA       ASP  16  -2.830   4.599  -5.666
  271    HB2  ASP  16           HB2      ASP  16  -4.199   4.209  -7.638
  272    HB3  ASP  16           HB1      ASP  16  -2.650   4.869  -8.131
  273    H    PHE  17           HN       PHE  17  -4.677   3.669  -4.932
  274    HA   PHE  17           HA       PHE  17  -4.753   0.760  -4.726
  275    HB2  PHE  17           HB2      PHE  17  -5.120   2.799  -2.518
  276    HB3  PHE  17           HB1      PHE  17  -5.509   1.096  -2.357
  277    HD1  PHE  17           HD1      PHE  17  -3.757  -0.541  -2.154
  278    HD2  PHE  17           HD2      PHE  17  -2.835   3.600  -2.507
  279    HE1  PHE  17           HE1      PHE  17  -1.495  -0.979  -1.364
  280    HE2  PHE  17           HE2      PHE  17  -0.564   3.168  -1.711
  281    HZ   PHE  17           HZ       PHE  17   0.120   0.878  -1.137
  282    HA   PRO  18           HA       PRO  18  -9.130   1.319  -5.665
  283    HB2  PRO  18           HB2      PRO  18  -9.738  -0.297  -3.240
  284    HB3  PRO  18           HB1      PRO  18 -10.250  -0.571  -4.905
  285    HG2  PRO  18           HG2      PRO  18  -8.380  -2.096  -3.850
  286    HG3  PRO  18           HG1      PRO  18  -8.194  -1.498  -5.509
  287    HD2  PRO  18           HD2      PRO  18  -6.912  -0.509  -2.989
  288    HD3  PRO  18           HD1      PRO  18  -6.182  -0.774  -4.580
  289    H    TRP  19           HN       TRP  19 -11.036   2.396  -4.897
  290    HA   TRP  19           HA       TRP  19 -10.683   4.405  -2.928
  291    HB2  TRP  19           HB2      TRP  19 -12.252   4.505  -4.921
  292    HB3  TRP  19           HB1      TRP  19 -13.278   3.333  -4.112
  293    HD1  TRP  19           HD1      TRP  19 -12.204   6.995  -3.943
  294    HE1  TRP  19           HE1      TRP  19 -13.892   8.286  -2.502
  295    HE3  TRP  19          3HE       TRP  19 -14.994   3.077  -2.233
  296    HZ2  TRP  19           HZ2      TRP  19 -16.109   7.737  -0.876
  297    HZ3  TRP  19           HZ3      TRP  19 -16.884   3.550  -0.739
  298    HH2  TRP  19          2HH       TRP  19 -17.430   5.834  -0.076
  299    HA   PRO  20           HA       PRO  20 -11.763   5.502  -1.366
  300    HB2  PRO  20           HB2      PRO  20 -11.929   6.107   1.200
  301    HB3  PRO  20           HB1      PRO  20 -13.350   5.530   0.319
  302    HG2  PRO  20           HG2      PRO  20 -11.592   4.081   2.237
  303    HG3  PRO  20           HG1      PRO  20 -13.345   3.966   2.010
  304    HD2  PRO  20           HD2      PRO  20 -11.397   2.226   0.940
  305    HD3  PRO  20           HD1      PRO  20 -13.104   2.304   0.469
  306    H    LEU  21           HN       LEU  21  -9.550   3.270  -0.659
  307    HA   LEU  21           HA       LEU  21  -7.621   4.583   0.971
  308    HB2  LEU  21           HB2      LEU  21  -7.886   2.101  -0.009
  309    HB3  LEU  21           HB1      LEU  21  -6.834   2.732  -1.244
  310    HG   LEU  21           HG       LEU  21  -5.500   1.519   0.294
  311   HD11  LEU  21          HD11      LEU  21  -5.110   4.422   0.889
  312   HD12  LEU  21          HD12      LEU  21  -4.446   3.523  -0.476
  313   HD13  LEU  21          HD13      LEU  21  -3.935   3.135   1.166
  314   HD21  LEU  21          HD21      LEU  21  -5.411   1.983   2.685
  315   HD22  LEU  21          HD22      LEU  21  -7.009   1.443   2.170
  316   HD23  LEU  21          HD23      LEU  21  -6.718   3.150   2.503
  317    H    GLY  22           HN       GLY  22  -8.131   4.259  -2.513
  318    HA2  GLY  22           HA2      GLY  22  -7.792   5.711  -4.255
  319    HA3  GLY  22           HA1      GLY  22  -7.517   6.978  -3.068
  320    H    HIS  23           HN       HIS  23  -5.833   7.759  -4.455
  321    HA   HIS  23           HA       HIS  23  -3.516   6.042  -4.632
  322    HB2  HIS  23           HB2      HIS  23  -4.161   7.597  -6.538
  323    HB3  HIS  23           HB1      HIS  23  -3.745   8.946  -5.489
  324    HD1  HIS  23           HD1      HIS  23  -2.297   6.862  -8.054
  325    HD2  HIS  23           HD2      HIS  23  -0.889   8.732  -4.629
  326    HE1  HIS  23           HE1      HIS  23   0.198   6.977  -8.292
  327    H    GLN  24           HN       GLN  24  -1.903   6.080  -3.245
  328    HA   GLN  24           HA       GLN  24  -1.760   8.303  -1.362
  329    HB2  GLN  24           HB2      GLN  24  -1.473   5.366  -0.754
  330    HB3  GLN  24           HB1      GLN  24  -1.036   6.652   0.357
  331    HG2  GLN  24           HG2      GLN  24  -3.792   6.157  -0.735
  332    HG3  GLN  24           HG1      GLN  24  -3.229   5.665   0.856
  333   HE21  GLN  24          1HE2      GLN  24  -5.414   7.382   0.169
  334   HE22  GLN  24          2HE2      GLN  24  -5.128   8.916   0.913
  335    H    CYS  25           HN       CYS  25   0.126   9.225  -1.489
  336    HA   CYS  25           HA       CYS  25   2.264   7.634  -2.571
  337    HB2  CYS  25           HB2      CYS  25   1.794   9.811  -3.713
  338    HB3  CYS  25           HB1      CYS  25   2.186  10.648  -2.217
  339    H    PHE  26           HN       PHE  26   4.323   7.614  -1.456
  340    HA   PHE  26           HA       PHE  26   3.846   7.938   1.402
  341    HB2  PHE  26           HB2      PHE  26   5.788   6.085   0.011
  342    HB3  PHE  26           HB1      PHE  26   5.453   6.138   1.738
  343    HD1  PHE  26           HD1      PHE  26   2.992   5.695   2.443
  344    HD2  PHE  26           HD2      PHE  26   4.602   4.623  -1.347
  345    HE1  PHE  26           HE1      PHE  26   1.183   4.055   2.139
  346    HE2  PHE  26           HE2      PHE  26   2.797   2.984  -1.657
  347    HZ   PHE  26           HZ       PHE  26   1.081   2.699   0.088
  348    HA   PRO  27           HA       PRO  27   7.011  11.118   0.662
  349    HB2  PRO  27           HB2      PRO  27   6.332  12.702   2.735
  350    HB3  PRO  27           HB1      PRO  27   5.410  12.690   1.228
  351    HG2  PRO  27           HG2      PRO  27   4.808  11.361   3.834
  352    HG3  PRO  27           HG1      PRO  27   3.708  12.195   2.724
  353    HD2  PRO  27           HD2      PRO  27   3.979   9.471   2.863
  354    HD3  PRO  27           HD1      PRO  27   3.441  10.335   1.410
  355    H    ASP  28           HN       ASP  28   6.478   8.981   3.169
  356    HA   ASP  28           HA       ASP  28   9.107   9.574   4.382
  357    HB2  ASP  28           HB2      ASP  28   6.625   8.416   5.657
  358    HB3  ASP  28           HB1      ASP  28   8.203   8.421   6.426
  Start of MODEL   18
    1    H1   GLY   1           HN       GLY   1  -6.441  -7.531   4.078
    2    HA2  GLY   1           HA2      GLY   1  -7.400  -5.760   2.918
    3    HA3  GLY   1           HA1      GLY   1  -8.156  -5.213   4.420
    4    H    PHE   2           HN       PHE   2  -7.193  -3.141   3.477
    5    HA   PHE   2           HA       PHE   2  -4.614  -2.818   4.783
    6    HB2  PHE   2           HB2      PHE   2  -4.057  -3.100   2.421
    7    HB3  PHE   2           HB1      PHE   2  -5.201  -1.846   1.973
    8    HD1  PHE   2           HD1      PHE   2  -4.365   0.257   1.557
    9    HD2  PHE   2           HD2      PHE   2  -2.230  -2.320   4.187
   10    HE1  PHE   2           HE1      PHE   2  -2.588   1.941   1.759
   11    HE2  PHE   2           HE2      PHE   2  -0.449  -0.638   4.394
   12    HZ   PHE   2           HZ       PHE   2  -0.626   1.495   3.177
   13    H    CYS   3           HN       CYS   3  -4.558  -1.137   6.031
   14    HA   CYS   3           HA       CYS   3  -6.610   0.906   5.735
   15    HB2  CYS   3           HB2      CYS   3  -5.418  -0.319   8.218
   16    HB3  CYS   3           HB1      CYS   3  -6.330   1.183   8.237
   17    H    TRP   4           HN       TRP   4  -5.956   2.883   5.616
   18    HA   TRP   4           HA       TRP   4  -3.371   3.712   6.536
   19    HB2  TRP   4           HB2      TRP   4  -2.880   2.774   4.316
   20    HB3  TRP   4           HB1      TRP   4  -4.099   3.811   3.600
   21    HD1  TRP   4           HD1      TRP   4  -3.393   6.313   3.084
   22    HE1  TRP   4           HE1      TRP   4  -1.132   7.559   3.169
   23    HE3  TRP   4          3HE       TRP   4  -0.640   2.876   5.685
   24    HZ2  TRP   4           HZ2      TRP   4   1.435   7.154   4.192
   25    HZ3  TRP   4           HZ3      TRP   4   1.720   3.392   6.169
   26    HH2  TRP   4          2HH       TRP   4   2.726   5.488   5.432
   27    H    HIS   5           HN       HIS   5  -4.053   5.345   7.673
   28    HA   HIS   5           HA       HIS   5  -4.983   7.212   8.371
   29    HB2  HIS   5           HB2      HIS   5  -4.326   8.033   5.557
   30    HB3  HIS   5           HB1      HIS   5  -4.867   9.176   6.786
   31    HD1  HIS   5           HD1      HIS   5  -1.843   7.511   5.523
   32    HD2  HIS   5           HD2      HIS   5  -3.078   9.331   9.047
   33    HE1  HIS   5           HE1      HIS   5   0.245   7.948   6.854
   34    H    HIS   6           HN       HIS   6  -6.904   5.852   8.512
   35    HA   HIS   6           HA       HIS   6  -9.119   5.924   8.868
   36    HB2  HIS   6           HB2      HIS   6  -9.111   8.561   7.383
   37    HB3  HIS   6           HB1      HIS   6 -10.501   7.898   8.231
   38    HD1  HIS   6           HD1      HIS   6 -10.525   8.189  10.828
   39    HD2  HIS   6           HD2      HIS   6  -7.069   9.581   8.988
   40    HE1  HIS   6           HE1      HIS   6  -9.291   9.511  12.571
   41    H    SER   7           HN       SER   7  -7.750   5.247   6.111
   42    HA   SER   7           HA       SER   7 -10.304   4.609   4.809
   43    HB2  SER   7           HB2      SER   7  -7.623   5.102   3.501
   44    HB3  SER   7           HB1      SER   7  -9.144   4.751   2.672
   45    HG   SER   7           HG       SER   7  -9.964   6.695   3.499
   46    H    CYS   8           HN       CYS   8 -10.677   2.478   4.503
   47    HA   CYS   8           HA       CYS   8  -8.389   0.660   4.577
   48    HB2  CYS   8           HB2      CYS   8 -11.004   0.285   6.044
   49    HB3  CYS   8           HB1      CYS   8  -9.765  -0.950   5.868
   50    H    VAL   9           HN       VAL   9  -8.452  -0.901   3.132
   51    HA   VAL   9           HA       VAL   9 -10.884  -1.216   1.512
   52    HB   VAL   9           HB       VAL   9  -9.389  -2.155  -0.292
   53   HG11  VAL   9          HG11      VAL   9  -8.399  -0.001  -0.970
   54   HG12  VAL   9          HG12      VAL   9  -8.742   0.623   0.648
   55   HG13  VAL   9          3HG1      VAL   9 -10.067   0.152  -0.414
   56   HG21  VAL   9          HG21      VAL   9  -6.962  -1.778  -0.146
   57   HG22  VAL   9          HG22      VAL   9  -7.520  -2.878   1.117
   58   HG23  VAL   9          HG23      VAL   9  -7.165  -1.195   1.507
   59    HA   PRO  10           HA       PRO  10 -11.385  -5.222   3.145
   60    HB2  PRO  10           HB2      PRO  10 -12.496  -6.616   1.121
   61    HB3  PRO  10           HB1      PRO  10 -13.348  -5.314   1.962
   62    HG2  PRO  10           HG2      PRO  10 -11.881  -5.236  -0.648
   63    HG3  PRO  10           HG1      PRO  10 -13.471  -4.562  -0.244
   64    HD2  PRO  10           HD2      PRO  10 -11.250  -3.037  -0.325
   65    HD3  PRO  10           HD1      PRO  10 -12.568  -2.737   0.826
   66    H    SER  11           HN       SER  11 -10.843  -7.446   3.109
   67    HA   SER  11           HA       SER  11  -8.243  -8.112   2.439
   68    HB2  SER  11           HB2      SER  11 -10.608  -9.926   2.930
   69    HB3  SER  11           HB1      SER  11  -8.901 -10.351   3.087
   70    HG   SER  11           HG       SER  11  -9.090  -9.720   5.014
   71    H    GLY  12           HN       GLY  12  -7.369  -9.206   0.714
   72    HA2  GLY  12           HA2      GLY  12  -7.616 -10.638  -1.190
   73    HA3  GLY  12           HA1      GLY  12  -9.217  -9.949  -1.431
   74    H    THR  13           HN       THR  13  -8.032  -7.237  -0.735
   75    HA   THR  13           HA       THR  13  -7.537  -6.387  -3.359
   76    HB   THR  13           HB       THR  13  -6.826  -4.994  -0.759
   77    HG1  THR  13           HG1      THR  13  -8.944  -5.126  -0.593
   78   HG21  THR  13          HG21      THR  13  -7.331  -3.895  -3.535
   79   HG22  THR  13          HG22      THR  13  -5.762  -3.975  -2.734
   80   HG23  THR  13          HG23      THR  13  -7.029  -2.928  -2.091
   81    H    CYS  14           HN       CYS  14  -5.733  -6.486  -4.534
   82    HA   CYS  14           HA       CYS  14  -3.181  -6.890  -3.156
   83    HB2  CYS  14           HB2      CYS  14  -4.058  -7.935  -5.849
   84    HB3  CYS  14           HB1      CYS  14  -2.474  -8.160  -5.132
   85    H    ALA  15           HN       ALA  15  -1.560  -5.576  -3.777
   86    HA   ALA  15           HA       ALA  15  -2.082  -3.737  -5.994
   87    HB1  ALA  15           HB1      ALA  15  -1.073  -1.925  -4.676
   88    HB2  ALA  15           HB2      ALA  15  -0.908  -3.024  -3.304
   89    HB3  ALA  15           HB3      ALA  15  -2.511  -2.572  -3.880
   90    H    ASP  16           HN       ASP  16  -0.293  -3.248  -7.216
   91    HA   ASP  16           HA       ASP  16   2.019  -4.977  -6.742
   92    HB2  ASP  16           HB2      ASP  16   0.930  -5.090  -8.966
   93    HB3  ASP  16           HB1      ASP  16   1.301  -3.387  -9.215
   94    H    PHE  17           HN       PHE  17   3.546  -4.090  -5.605
   95    HA   PHE  17           HA       PHE  17   4.014  -1.219  -5.759
   96    HB2  PHE  17           HB2      PHE  17   4.937  -3.347  -3.822
   97    HB3  PHE  17           HB1      PHE  17   5.475  -1.676  -3.765
   98    HD1  PHE  17           HD1      PHE  17   4.048   0.040  -2.952
   99    HD2  PHE  17           HD2      PHE  17   2.695  -3.970  -3.199
  100    HE1  PHE  17           HE1      PHE  17   2.134   0.607  -1.505
  101    HE2  PHE  17           HE2      PHE  17   0.778  -3.424  -1.754
  102    HZ   PHE  17           HZ       PHE  17   0.498  -1.135  -0.907
  103    HA   PRO  18           HA       PRO  18   7.905  -1.847  -7.905
  104    HB2  PRO  18           HB2      PRO  18   9.158  -0.013  -5.943
  105    HB3  PRO  18           HB1      PRO  18   9.059   0.137  -7.700
  106    HG2  PRO  18           HG2      PRO  18   7.592   1.696  -6.125
  107    HG3  PRO  18           HG1      PRO  18   6.925   1.042  -7.632
  108    HD2  PRO  18           HD2      PRO  18   6.492   0.120  -4.817
  109    HD3  PRO  18           HD1      PRO  18   5.319   0.307  -6.138
  110    H    TRP  19           HN       TRP  19  10.215  -2.378  -7.403
  111    HA   TRP  19           HA       TRP  19  10.309  -4.555  -5.583
  112    HB2  TRP  19           HB2      TRP  19  11.516  -4.251  -7.852
  113    HB3  TRP  19           HB1      TRP  19  12.656  -3.243  -6.973
  114    HD1  TRP  19           HD1      TRP  19  11.371  -6.873  -7.055
  115    HE1  TRP  19           HE1      TRP  19  13.219  -8.409  -6.181
  116    HE3  TRP  19          3HE       TRP  19  14.751  -3.324  -5.688
  117    HZ2  TRP  19           HZ2      TRP  19  15.807  -8.156  -5.061
  118    HZ3  TRP  19           HZ3      TRP  19  16.903  -4.047  -4.725
  119    HH2  TRP  19          2HH       TRP  19  17.417  -6.414  -4.418
  120    HA   PRO  20           HA       PRO  20  11.630  -5.609  -4.341
  121    HB2  PRO  20           HB2      PRO  20  12.339  -6.305  -1.838
  122    HB3  PRO  20           HB1      PRO  20  13.501  -5.761  -3.050
  123    HG2  PRO  20           HG2      PRO  20  12.580  -4.392  -0.633
  124    HG3  PRO  20           HG1      PRO  20  13.979  -4.037  -1.650
  125    HD2  PRO  20           HD2      PRO  20  11.344  -2.781  -1.643
  126    HD3  PRO  20           HD1      PRO  20  12.823  -2.262  -2.473
  127    H    LEU  21           HN       LEU  21   9.268  -3.796  -3.238
  128    HA   LEU  21           HA       LEU  21   8.056  -5.552  -1.317
  129    HB2  LEU  21           HB2      LEU  21   6.923  -3.220  -2.839
  130    HB3  LEU  21           HB1      LEU  21   5.971  -4.175  -1.722
  131    HG   LEU  21           HG       LEU  21   8.375  -2.488  -1.040
  132   HD11  LEU  21          HD11      LEU  21   6.789  -1.205   0.251
  133   HD12  LEU  21          HD12      LEU  21   5.473  -2.217  -0.347
  134   HD13  LEU  21          HD13      LEU  21   6.378  -1.186  -1.468
  135   HD21  LEU  21          HD21      LEU  21   7.816  -3.059   1.286
  136   HD22  LEU  21          HD22      LEU  21   8.368  -4.430   0.338
  137   HD23  LEU  21          HD23      LEU  21   6.648  -4.241   0.684
  138    H    GLY  22           HN       GLY  22   7.356  -4.811  -4.698
  139    HA2  GLY  22           HA2      GLY  22   6.700  -6.313  -6.316
  140    HA3  GLY  22           HA1      GLY  22   6.712  -7.579  -5.104
  141    H    HIS  23           HN       HIS  23   4.772  -8.363  -5.928
  142    HA   HIS  23           HA       HIS  23   2.408  -6.701  -5.882
  143    HB2  HIS  23           HB2      HIS  23   2.928  -8.538  -7.599
  144    HB3  HIS  23           HB1      HIS  23   2.614  -9.689  -6.311
  145    HD1  HIS  23           HD1      HIS  23   0.997  -8.634  -9.141
  146    HD2  HIS  23           HD2      HIS  23  -0.174  -8.741  -5.166
  147    HE1  HIS  23           HE1      HIS  23  -1.510  -8.623  -9.161
  148    H    GLN  24           HN       GLN  24   1.508  -6.326  -3.960
  149    HA   GLN  24           HA       GLN  24   1.755  -8.412  -1.933
  150    HB2  GLN  24           HB2      GLN  24   1.630  -5.428  -1.609
  151    HB3  GLN  24           HB1      GLN  24   1.423  -6.547  -0.269
  152    HG2  GLN  24           HG2      GLN  24   3.866  -6.359  -2.025
  153    HG3  GLN  24           HG1      GLN  24   3.713  -5.688  -0.400
  154   HE21  GLN  24          1HE2      GLN  24   5.564  -7.703  -1.413
  155   HE22  GLN  24          2HE2      GLN  24   5.321  -9.105  -0.428
  156    H    CYS  25           HN       CYS  25   0.054  -9.352  -1.308
  157    HA   CYS  25           HA       CYS  25  -2.561  -8.188  -1.849
  158    HB2  CYS  25           HB2      CYS  25  -1.691 -11.037  -1.352
  159    HB3  CYS  25           HB1      CYS  25  -3.377 -10.534  -1.404
  160    H    PHE  26           HN       PHE  26  -3.862  -7.652  -0.247
  161    HA   PHE  26           HA       PHE  26  -2.732  -7.862   2.428
  162    HB2  PHE  26           HB2      PHE  26  -4.932  -6.085   1.371
  163    HB3  PHE  26           HB1      PHE  26  -4.242  -6.012   2.987
  164    HD1  PHE  26           HD1      PHE  26  -1.769  -5.460   3.199
  165    HD2  PHE  26           HD2      PHE  26  -3.968  -4.893  -0.399
  166    HE1  PHE  26           HE1      PHE  26  -0.048  -3.900   2.395
  167    HE2  PHE  26           HE2      PHE  26  -2.250  -3.333  -1.208
  168    HZ   PHE  26           HZ       PHE  26  -0.285  -2.836   0.192
  169    HA   PRO  27           HA       PRO  27  -5.889 -11.086   2.896
  170    HB2  PRO  27           HB2      PRO  27  -4.880 -12.164   5.159
  171    HB3  PRO  27           HB1      PRO  27  -4.180 -12.480   3.568
  172    HG2  PRO  27           HG2      PRO  27  -3.272 -10.601   5.703
  173    HG3  PRO  27           HG1      PRO  27  -2.306 -11.648   4.652
  174    HD2  PRO  27           HD2      PRO  27  -2.637  -8.973   4.234
  175    HD3  PRO  27           HD1      PRO  27  -2.320 -10.131   2.928
  176    H    ASP  28           HN       ASP  28  -4.998  -8.661   5.167
  177    HA   ASP  28           HA       ASP  28  -7.525  -9.049   6.644
  178    HB2  ASP  28           HB2      ASP  28  -5.460  -9.068   8.006
  179    HB3  ASP  28           HB1      ASP  28  -5.039  -7.476   7.397
  180    H1   GLY   1           HN       GLY   1   7.464   7.412   2.363
  181    HA2  GLY   1           HA2      GLY   1   8.096   5.580   1.088
  182    HA3  GLY   1           HA1      GLY   1   9.377   5.249   2.247
  183    H    PHE   2           HN       PHE   2   7.648   3.314   1.123
  184    HA   PHE   2           HA       PHE   2   5.885   2.709   3.383
  185    HB2  PHE   2           HB2      PHE   2   4.701   3.013   1.226
  186    HB3  PHE   2           HB1      PHE   2   5.629   1.682   0.551
  187    HD1  PHE   2           HD1      PHE   2   4.657  -0.406   0.541
  188    HD2  PHE   2           HD2      PHE   2   3.406   2.420   3.455
  189    HE1  PHE   2           HE1      PHE   2   2.950  -1.985   1.334
  190    HE2  PHE   2           HE2      PHE   2   1.697   0.847   4.256
  191    HZ   PHE   2           HZ       PHE   2   1.466  -1.361   3.193
  192    H    CYS   3           HN       CYS   3   6.637   1.280   4.661
  193    HA   CYS   3           HA       CYS   3   8.461  -0.760   3.659
  194    HB2  CYS   3           HB2      CYS   3   8.077   0.221   6.500
  195    HB3  CYS   3           HB1      CYS   3   9.286  -0.922   5.943
  196    H    TRP   4           HN       TRP   4   7.716  -2.756   3.641
  197    HA   TRP   4           HA       TRP   4   5.491  -3.499   5.320
  198    HB2  TRP   4           HB2      TRP   4   4.418  -2.630   3.340
  199    HB3  TRP   4           HB1      TRP   4   5.461  -3.574   2.297
  200    HD1  TRP   4           HD1      TRP   4   4.746  -6.069   1.835
  201    HE1  TRP   4           HE1      TRP   4   2.651  -7.433   2.376
  202    HE3  TRP   4          3HE       TRP   4   2.585  -2.910   5.223
  203    HZ2  TRP   4           HZ2      TRP   4   0.371  -7.217   4.033
  204    HZ3  TRP   4           HZ3      TRP   4   0.444  -3.569   6.241
  205    HH2  TRP   4          2HH       TRP   4  -0.635  -5.680   5.655
  206    H    HIS   5           HN       HIS   5   6.050  -5.263   6.205
  207    HA   HIS   5           HA       HIS   5   7.126  -7.109   6.802
  208    HB2  HIS   5           HB2      HIS   5   5.224  -7.929   5.426
  209    HB3  HIS   5           HB1      HIS   5   6.323  -8.098   4.064
  210    HD1  HIS   5           HD1      HIS   5   6.787 -10.555   3.797
  211    HD2  HIS   5           HD2      HIS   5   6.662  -9.403   7.777
  212    HE1  HIS   5           HE1      HIS   5   7.315 -12.623   5.142
  213    H    HIS   6           HN       HIS   6   9.066  -5.709   6.609
  214    HA   HIS   6           HA       HIS   6  11.289  -5.762   6.659
  215    HB2  HIS   6           HB2      HIS   6  11.024  -8.540   5.502
  216    HB3  HIS   6           HB1      HIS   6  12.555  -7.824   5.990
  217    HD1  HIS   6           HD1      HIS   6  13.128  -7.911   8.503
  218    HD2  HIS   6           HD2      HIS   6   9.235  -9.106   7.653
  219    HE1  HIS   6           HE1      HIS   6  12.227  -8.915  10.619
  220    H    SER   7           HN       SER   7   9.650  -5.210   4.008
  221    HA   SER   7           HA       SER   7  12.090  -4.538   2.591
  222    HB2  SER   7           HB2      SER   7   9.514  -5.624   1.447
  223    HB3  SER   7           HB1      SER   7  10.816  -4.954   0.455
  224    HG   SER   7           HG       SER   7  12.140  -6.529   1.643
  225    H    CYS   8           HN       CYS   8  11.857  -2.483   1.388
  226    HA   CYS   8           HA       CYS   8   9.447  -1.011   2.002
  227    HB2  CYS   8           HB2      CYS   8  10.989  -0.824   3.983
  228    HB3  CYS   8           HB1      CYS   8  12.153  -0.061   2.898
  229    H    VAL   9           HN       VAL   9   9.236   0.795   0.796
  230    HA   VAL   9           HA       VAL   9  11.153   1.124  -1.396
  231    HB   VAL   9           HB       VAL   9   9.253   2.179  -2.713
  232   HG11  VAL   9          HG11      VAL   9   9.942  -0.103  -3.166
  233   HG12  VAL   9          HG12      VAL   9   8.192   0.047  -3.330
  234   HG13  VAL   9          3HG1      VAL   9   8.885  -0.693  -1.887
  235   HG21  VAL   9          HG21      VAL   9   7.762   2.724  -0.861
  236   HG22  VAL   9          HG22      VAL   9   7.565   1.012  -0.497
  237   HG23  VAL   9          HG23      VAL   9   6.938   1.666  -2.010
  238    HA   PRO  10           HA       PRO  10  12.321   4.920   0.258
  239    HB2  PRO  10           HB2      PRO  10  12.822   6.397  -1.997
  240    HB3  PRO  10           HB1      PRO  10  13.893   5.145  -1.359
  241    HG2  PRO  10           HG2      PRO  10  11.853   4.949  -3.542
  242    HG3  PRO  10           HG1      PRO  10  13.506   4.307  -3.499
  243    HD2  PRO  10           HD2      PRO  10  11.401   2.738  -3.052
  244    HD3  PRO  10           HD1      PRO  10  12.908   2.533  -2.135
  245    H    SER  11           HN       SER  11  11.966   7.236   0.345
  246    HA   SER  11           HA       SER  11   9.264   7.921   0.577
  247    HB2  SER  11           HB2      SER  11  11.708   9.702   0.499
  248    HB3  SER  11           HB1      SER  11  10.118  10.145   1.119
  249    HG   SER  11           HG       SER  11  11.395   7.863   2.157
  250    H    GLY  12           HN       GLY  12   7.883   8.814  -0.831
  251    HA2  GLY  12           HA2      GLY  12   7.358  10.285  -2.607
  252    HA3  GLY  12           HA1      GLY  12   8.970  10.020  -3.260
  253    H    THR  13           HN       THR  13   7.925   7.070  -2.290
  254    HA   THR  13           HA       THR  13   7.220   6.311  -4.943
  255    HB   THR  13           HB       THR  13   7.042   4.674  -2.393
  256    HG1  THR  13           HG1      THR  13   9.152   5.107  -2.602
  257   HG21  THR  13          HG21      THR  13   5.747   3.731  -4.266
  258   HG22  THR  13          HG22      THR  13   7.172   2.745  -3.930
  259   HG23  THR  13          HG23      THR  13   7.167   3.847  -5.305
  260    H    CYS  14           HN       CYS  14   5.264   6.337  -5.777
  261    HA   CYS  14           HA       CYS  14   3.018   6.886  -4.009
  262    HB2  CYS  14           HB2      CYS  14   3.239   7.349  -6.982
  263    HB3  CYS  14           HB1      CYS  14   1.964   7.919  -5.914
  264    H    ALA  15           HN       ALA  15   1.095   5.658  -4.206
  265    HA   ALA  15           HA       ALA  15   1.239   3.357  -5.991
  266    HB1  ALA  15           HB1      ALA  15   2.029   2.631  -3.802
  267    HB2  ALA  15           HB2      ALA  15   0.462   1.909  -4.180
  268    HB3  ALA  15           HB3      ALA  15   0.562   3.265  -3.058
  269    H    ASP  16           HN       ASP  16  -0.683   2.647  -6.705
  270    HA   ASP  16           HA       ASP  16  -2.966   4.440  -6.293
  271    HB2  ASP  16           HB2      ASP  16  -2.362   2.451  -8.490
  272    HB3  ASP  16           HB1      ASP  16  -3.905   3.273  -8.330
  273    H    PHE  17           HN       PHE  17  -4.370   3.763  -4.816
  274    HA   PHE  17           HA       PHE  17  -4.858   0.881  -4.595
  275    HB2  PHE  17           HB2      PHE  17  -5.186   3.110  -2.583
  276    HB3  PHE  17           HB1      PHE  17  -5.731   1.465  -2.308
  277    HD1  PHE  17           HD1      PHE  17  -4.037  -0.355  -2.206
  278    HD2  PHE  17           HD2      PHE  17  -2.980   3.761  -2.214
  279    HE1  PHE  17           HE1      PHE  17  -1.856  -0.926  -1.277
  280    HE2  PHE  17           HE2      PHE  17  -0.791   3.212  -1.283
  281    HZ   PHE  17           HZ       PHE  17  -0.209   0.865  -0.805
  282    HA   PRO  18           HA       PRO  18  -9.009   1.784  -5.842
  283    HB2  PRO  18           HB2      PRO  18 -10.467  -0.102  -4.547
  284    HB3  PRO  18           HB1      PRO  18  -9.399  -0.493  -5.897
  285    HG2  PRO  18           HG2      PRO  18  -8.984  -0.877  -2.979
  286    HG3  PRO  18           HG1      PRO  18  -8.457  -1.887  -4.333
  287    HD2  PRO  18           HD2      PRO  18  -6.868  -0.099  -2.946
  288    HD3  PRO  18           HD1      PRO  18  -6.488  -0.719  -4.553
  289    H    TRP  19           HN       TRP  19 -11.239   2.246  -4.966
  290    HA   TRP  19           HA       TRP  19 -11.134   4.233  -2.957
  291    HB2  TRP  19           HB2      TRP  19 -12.758   4.090  -4.915
  292    HB3  TRP  19           HB1      TRP  19 -13.596   2.822  -4.036
  293    HD1  TRP  19           HD1      TRP  19 -12.909   6.585  -3.928
  294    HE1  TRP  19           HE1      TRP  19 -14.643   7.701  -2.420
  295    HE3  TRP  19          3HE       TRP  19 -15.216   2.395  -2.140
  296    HZ2  TRP  19           HZ2      TRP  19 -16.751   6.913  -0.698
  297    HZ3  TRP  19           HZ3      TRP  19 -17.074   2.659  -0.571
  298    HH2  TRP  19          2HH       TRP  19 -17.835   4.871   0.139
  299    HA   PRO  20           HA       PRO  20 -12.200   5.167  -1.359
  300    HB2  PRO  20           HB2      PRO  20 -12.437   5.749   1.198
  301    HB3  PRO  20           HB1      PRO  20 -13.773   4.970   0.339
  302    HG2  PRO  20           HG2      PRO  20 -11.787   3.778   2.225
  303    HG3  PRO  20           HG1      PRO  20 -13.517   3.440   2.061
  304    HD2  PRO  20           HD2      PRO  20 -11.420   1.940   0.924
  305    HD3  PRO  20           HD1      PRO  20 -13.142   1.840   0.505
  306    H    LEU  21           HN       LEU  21  -9.655   3.363  -1.008
  307    HA   LEU  21           HA       LEU  21  -7.978   4.833   0.834
  308    HB2  LEU  21           HB2      LEU  21  -7.903   2.314  -0.111
  309    HB3  LEU  21           HB1      LEU  21  -6.901   3.068  -1.319
  310    HG   LEU  21           HG       LEU  21  -5.451   2.080   0.248
  311   HD11  LEU  21          HD11      LEU  21  -4.665   4.227  -0.444
  312   HD12  LEU  21          HD12      LEU  21  -4.186   3.901   1.222
  313   HD13  LEU  21          HD13      LEU  21  -5.522   5.002   0.888
  314   HD21  LEU  21          HD21      LEU  21  -6.994   3.449   2.434
  315   HD22  LEU  21          HD22      LEU  21  -5.530   2.488   2.654
  316   HD23  LEU  21          HD23      LEU  21  -7.003   1.728   2.056
  317    H    GLY  22           HN       GLY  22  -8.088   4.289  -2.677
  318    HA2  GLY  22           HA2      GLY  22  -7.850   5.797  -4.418
  319    HA3  GLY  22           HA1      GLY  22  -7.625   7.079  -3.237
  320    H    HIS  23           HN       HIS  23  -5.970   7.752  -4.800
  321    HA   HIS  23           HA       HIS  23  -3.563   6.173  -4.917
  322    HB2  HIS  23           HB2      HIS  23  -4.254   7.595  -6.845
  323    HB3  HIS  23           HB1      HIS  23  -4.073   9.023  -5.835
  324    HD1  HIS  23           HD1      HIS  23  -2.156   6.669  -7.952
  325    HD2  HIS  23           HD2      HIS  23  -1.355   9.684  -5.204
  326    HE1  HIS  23           HE1      HIS  23   0.283   7.230  -8.214
  327    H    GLN  24           HN       GLN  24  -1.991   6.259  -3.482
  328    HA   GLN  24           HA       GLN  24  -1.780   8.617  -1.768
  329    HB2  GLN  24           HB2      GLN  24  -1.706   5.731  -0.902
  330    HB3  GLN  24           HB1      GLN  24  -1.040   7.030   0.075
  331    HG2  GLN  24           HG2      GLN  24  -3.905   6.794  -0.812
  332    HG3  GLN  24           HG1      GLN  24  -3.285   6.400   0.791
  333   HE21  GLN  24          1HE2      GLN  24  -5.273   8.344   0.001
  334   HE22  GLN  24          2HE2      GLN  24  -4.713   9.873   0.579
  335    H    CYS  25           HN       CYS  25   0.243   9.310  -1.427
  336    HA   CYS  25           HA       CYS  25   2.337   7.615  -2.501
  337    HB2  CYS  25           HB2      CYS  25   1.776   9.633  -3.945
  338    HB3  CYS  25           HB1      CYS  25   2.339  10.638  -2.613
  339    H    PHE  26           HN       PHE  26   3.988   7.240  -1.231
  340    HA   PHE  26           HA       PHE  26   3.546   7.926   1.546
  341    HB2  PHE  26           HB2      PHE  26   5.492   5.982   0.307
  342    HB3  PHE  26           HB1      PHE  26   5.061   6.074   2.008
  343    HD1  PHE  26           HD1      PHE  26   2.661   5.587   2.655
  344    HD2  PHE  26           HD2      PHE  26   4.234   4.695  -1.191
  345    HE1  PHE  26           HE1      PHE  26   0.817   4.009   2.269
  346    HE2  PHE  26           HE2      PHE  26   2.395   3.116  -1.583
  347    HZ   PHE  26           HZ       PHE  26   0.680   2.772   0.151
  348    HA   PRO  27           HA       PRO  27   6.854  10.993   1.050
  349    HB2  PRO  27           HB2      PRO  27   6.407  12.308   3.368
  350    HB3  PRO  27           HB1      PRO  27   5.395  12.541   1.939
  351    HG2  PRO  27           HG2      PRO  27   4.887  10.872   4.366
  352    HG3  PRO  27           HG1      PRO  27   3.768  11.918   3.478
  353    HD2  PRO  27           HD2      PRO  27   3.829   9.220   3.185
  354    HD3  PRO  27           HD1      PRO  27   3.346  10.322   1.885
  355    H    ASP  28           HN       ASP  28   6.394   8.700   3.602
  356    HA   ASP  28           HA       ASP  28   9.189   9.094   4.453
  357    HB2  ASP  28           HB2      ASP  28   7.470   9.323   6.259
  358    HB3  ASP  28           HB1      ASP  28   6.935   7.684   5.932
  Start of MODEL   19
    1    H1   GLY   1           HN       GLY   1  -6.111  -7.898   4.458
    2    HA2  GLY   1           HA2      GLY   1  -7.117  -6.051   3.475
    3    HA3  GLY   1           HA1      GLY   1  -7.838  -5.650   5.035
    4    H    PHE   2           HN       PHE   2  -6.956  -3.513   4.027
    5    HA   PHE   2           HA       PHE   2  -4.505  -2.943   5.452
    6    HB2  PHE   2           HB2      PHE   2  -3.709  -3.520   3.209
    7    HB3  PHE   2           HB1      PHE   2  -4.869  -2.416   2.490
    8    HD1  PHE   2           HD1      PHE   2  -4.143  -0.329   1.869
    9    HD2  PHE   2           HD2      PHE   2  -2.043  -2.415   4.922
   10    HE1  PHE   2           HE1      PHE   2  -2.473   1.467   1.939
   11    HE2  PHE   2           HE2      PHE   2  -0.366  -0.619   4.997
   12    HZ   PHE   2           HZ       PHE   2  -0.583   1.325   3.501
   13    H    CYS   3           HN       CYS   3  -4.472  -0.763   6.120
   14    HA   CYS   3           HA       CYS   3  -6.535   0.942   5.040
   15    HB2  CYS   3           HB2      CYS   3  -7.457  -0.204   7.080
   16    HB3  CYS   3           HB1      CYS   3  -6.168   0.533   8.023
   17    H    TRP   4           HN       TRP   4  -5.920   3.018   4.874
   18    HA   TRP   4           HA       TRP   4  -3.641   4.092   6.254
   19    HB2  TRP   4           HB2      TRP   4  -2.687   2.704   4.322
   20    HB3  TRP   4           HB1      TRP   4  -3.552   3.777   3.234
   21    HD1  TRP   4           HD1      TRP   4  -2.617   6.332   3.061
   22    HE1  TRP   4           HE1      TRP   4  -0.297   7.310   3.520
   23    HE3  TRP   4          3HE       TRP   4  -0.643   2.455   5.729
   24    HZ2  TRP   4           HZ2      TRP   4   2.088   6.528   4.840
   25    HZ3  TRP   4           HZ3      TRP   4   1.663   2.641   6.545
   26    HH2  TRP   4          2HH       TRP   4   3.005   4.634   6.109
   27    H    HIS   5           HN       HIS   5  -3.785   6.353   6.144
   28    HA   HIS   5           HA       HIS   5  -4.639   8.427   5.812
   29    HB2  HIS   5           HB2      HIS   5  -4.019   7.831   3.400
   30    HB3  HIS   5           HB1      HIS   5  -5.703   7.397   3.158
   31    HD1  HIS   5           HD1      HIS   5  -7.097   9.283   2.196
   32    HD2  HIS   5           HD2      HIS   5  -3.758  10.644   4.263
   33    HE1  HIS   5           HE1      HIS   5  -7.015  11.768   1.825
   34    H    HIS   6           HN       HIS   6  -6.155   6.307   7.046
   35    HA   HIS   6           HA       HIS   6  -8.083   6.001   8.162
   36    HB2  HIS   6           HB2      HIS   6  -8.977   8.640   6.950
   37    HB3  HIS   6           HB1      HIS   6  -9.852   7.777   8.202
   38    HD1  HIS   6           HD1      HIS   6  -9.329   8.589  10.556
   39    HD2  HIS   6           HD2      HIS   6  -6.275   9.426   7.861
   40    HE1  HIS   6           HE1      HIS   6  -7.659   9.999  11.798
   41    H    SER   7           HN       SER   7  -7.675   5.520   5.126
   42    HA   SER   7           HA       SER   7 -10.431   4.797   4.492
   43    HB2  SER   7           HB2      SER   7  -7.994   5.007   2.717
   44    HB3  SER   7           HB1      SER   7  -9.664   4.780   2.191
   45    HG   SER   7           HG       SER   7  -9.728   6.892   3.682
   46    H    CYS   8           HN       CYS   8 -10.850   2.607   4.563
   47    HA   CYS   8           HA       CYS   8  -8.501   0.862   4.791
   48    HB2  CYS   8           HB2      CYS   8 -11.228   0.405   6.011
   49    HB3  CYS   8           HB1      CYS   8  -9.803  -0.591   6.240
   50    H    VAL   9           HN       VAL   9  -8.448  -1.024   3.619
   51    HA   VAL   9           HA       VAL   9 -10.713  -1.561   1.856
   52    HB   VAL   9           HB       VAL   9  -9.095  -2.629   0.248
   53   HG11  VAL   9          HG11      VAL   9  -8.635   0.286   0.806
   54   HG12  VAL   9          HG12      VAL   9  -9.889  -0.415  -0.220
   55   HG13  VAL   9          3HG1      VAL   9  -8.193  -0.544  -0.685
   56   HG21  VAL   9          HG21      VAL   9  -6.988  -1.341   1.985
   57   HG22  VAL   9          HG22      VAL   9  -6.698  -2.077   0.410
   58   HG23  VAL   9          HG23      VAL   9  -7.240  -3.071   1.763
   59    HA   PRO  10           HA       PRO  10 -11.177  -5.355   3.921
   60    HB2  PRO  10           HB2      PRO  10 -12.374  -6.855   2.035
   61    HB3  PRO  10           HB1      PRO  10 -13.179  -5.483   2.806
   62    HG2  PRO  10           HG2      PRO  10 -11.782  -5.609   0.158
   63    HG3  PRO  10           HG1      PRO  10 -13.351  -4.886   0.561
   64    HD2  PRO  10           HD2      PRO  10 -11.114  -3.409   0.314
   65    HD3  PRO  10           HD1      PRO  10 -12.392  -3.002   1.476
   66    H    SER  11           HN       SER  11 -10.774  -7.653   3.889
   67    HA   SER  11           HA       SER  11  -8.166  -8.369   3.235
   68    HB2  SER  11           HB2      SER  11 -10.577 -10.057   3.878
   69    HB3  SER  11           HB1      SER  11  -8.906 -10.624   3.893
   70    HG   SER  11           HG       SER  11  -8.769  -9.909   5.770
   71    H    GLY  12           HN       GLY  12  -7.311  -9.174   1.429
   72    HA2  GLY  12           HA2      GLY  12  -7.449 -10.717  -0.411
   73    HA3  GLY  12           HA1      GLY  12  -9.136 -10.256  -0.605
   74    H    THR  13           HN       THR  13  -7.985  -7.416   0.012
   75    HA   THR  13           HA       THR  13  -7.913  -6.562  -2.663
   76    HB   THR  13           HB       THR  13  -6.898  -5.109  -0.201
   77    HG1  THR  13           HG1      THR  13  -8.977  -5.379   0.251
   78   HG21  THR  13          HG21      THR  13  -7.847  -4.070  -2.881
   79   HG22  THR  13          HG22      THR  13  -6.175  -4.081  -2.320
   80   HG23  THR  13          HG23      THR  13  -7.374  -3.075  -1.505
   81    H    CYS  14           HN       CYS  14  -6.323  -6.801  -4.069
   82    HA   CYS  14           HA       CYS  14  -3.570  -6.981  -3.103
   83    HB2  CYS  14           HB2      CYS  14  -4.740  -7.832  -5.754
   84    HB3  CYS  14           HB1      CYS  14  -3.075  -8.039  -5.231
   85    H    ALA  15           HN       ALA  15  -2.122  -5.540  -3.756
   86    HA   ALA  15           HA       ALA  15  -2.823  -3.626  -5.845
   87    HB1  ALA  15           HB1      ALA  15  -2.055  -1.758  -4.450
   88    HB2  ALA  15           HB2      ALA  15  -1.823  -2.859  -3.094
   89    HB3  ALA  15           HB3      ALA  15  -3.446  -2.554  -3.714
   90    H    ASP  16           HN       ASP  16  -1.082  -3.043  -7.037
   91    HA   ASP  16           HA       ASP  16   1.338  -4.445  -6.292
   92    HB2  ASP  16           HB2      ASP  16   2.143  -4.180  -8.598
   93    HB3  ASP  16           HB1      ASP  16   0.588  -4.990  -8.542
   94    H    PHE  17           HN       PHE  17   3.157  -3.633  -5.853
   95    HA   PHE  17           HA       PHE  17   3.425  -0.716  -5.810
   96    HB2  PHE  17           HB2      PHE  17   4.559  -2.866  -4.008
   97    HB3  PHE  17           HB1      PHE  17   5.003  -1.172  -3.926
   98    HD1  PHE  17           HD1      PHE  17   3.670   0.373  -2.796
   99    HD2  PHE  17           HD2      PHE  17   2.247  -3.589  -3.409
  100    HE1  PHE  17           HE1      PHE  17   1.893   0.769  -1.185
  101    HE2  PHE  17           HE2      PHE  17   0.457  -3.201  -1.791
  102    HZ   PHE  17           HZ       PHE  17   0.273  -1.020  -0.667
  103    HA   PRO  18           HA       PRO  18   7.162  -1.418  -8.197
  104    HB2  PRO  18           HB2      PRO  18   8.694   0.369  -6.416
  105    HB3  PRO  18           HB1      PRO  18   8.325   0.560  -8.132
  106    HG2  PRO  18           HG2      PRO  18   7.159   2.099  -6.269
  107    HG3  PRO  18           HG1      PRO  18   6.286   1.567  -7.718
  108    HD2  PRO  18           HD2      PRO  18   6.156   0.486  -4.926
  109    HD3  PRO  18           HD1      PRO  18   4.839   0.790  -6.072
  110    H    TRP  19           HN       TRP  19   9.415  -2.141  -7.976
  111    HA   TRP  19           HA       TRP  19   9.797  -4.254  -6.157
  112    HB2  TRP  19           HB2      TRP  19  10.833  -4.023  -8.442
  113    HB3  TRP  19           HB1      TRP  19  11.853  -2.741  -7.818
  114    HD1  TRP  19           HD1      TRP  19  11.491  -6.515  -7.912
  115    HE1  TRP  19           HE1      TRP  19  13.633  -7.591  -6.964
  116    HE3  TRP  19          3HE       TRP  19  13.811  -2.324  -6.122
  117    HZ2  TRP  19           HZ2      TRP  19  15.968  -6.791  -5.646
  118    HZ3  TRP  19           HZ3      TRP  19  15.995  -2.573  -5.032
  119    HH2  TRP  19          2HH       TRP  19  17.050  -4.765  -4.802
  120    HA   PRO  20           HA       PRO  20  11.193  -5.276  -4.981
  121    HB2  PRO  20           HB2      PRO  20  12.188  -6.000  -2.646
  122    HB3  PRO  20           HB1      PRO  20  13.217  -5.247  -3.871
  123    HG2  PRO  20           HG2      PRO  20  12.154  -4.119  -1.345
  124    HG3  PRO  20           HG1      PRO  20  13.633  -3.710  -2.225
  125    HD2  PRO  20           HD2      PRO  20  11.102  -2.351  -2.300
  126    HD3  PRO  20           HD1      PRO  20  12.572  -1.965  -3.215
  127    H    LEU  21           HN       LEU  21   8.981  -3.472  -3.676
  128    HA   LEU  21           HA       LEU  21   8.001  -5.290  -1.668
  129    HB2  LEU  21           HB2      LEU  21   7.749  -2.861  -1.366
  130    HB3  LEU  21           HB1      LEU  21   6.766  -2.778  -2.810
  131    HG   LEU  21           HG       LEU  21   4.963  -3.964  -1.728
  132   HD11  LEU  21          HD11      LEU  21   5.106  -4.721   0.565
  133   HD12  LEU  21          HD12      LEU  21   6.765  -4.150   0.687
  134   HD13  LEU  21          HD13      LEU  21   6.371  -5.506  -0.376
  135   HD21  LEU  21          HD21      LEU  21   4.449  -2.406   0.060
  136   HD22  LEU  21          HD22      LEU  21   5.120  -1.572  -1.341
  137   HD23  LEU  21          HD23      LEU  21   6.124  -1.860   0.083
  138    H    GLY  22           HN       GLY  22   7.006  -4.147  -4.857
  139    HA2  GLY  22           HA2      GLY  22   6.084  -5.307  -6.583
  140    HA3  GLY  22           HA1      GLY  22   6.319  -6.778  -5.653
  141    H    HIS  23           HN       HIS  23   4.354  -7.531  -6.432
  142    HA   HIS  23           HA       HIS  23   1.929  -6.088  -5.900
  143    HB2  HIS  23           HB2      HIS  23   2.380  -7.619  -7.915
  144    HB3  HIS  23           HB1      HIS  23   2.149  -8.954  -6.794
  145    HD1  HIS  23           HD1      HIS  23   0.336  -7.043  -9.174
  146    HD2  HIS  23           HD2      HIS  23  -0.540  -8.638  -5.452
  147    HE1  HIS  23           HE1      HIS  23  -2.176  -7.133  -9.030
  148    H    GLN  24           HN       GLN  24   1.009  -6.052  -4.014
  149    HA   GLN  24           HA       GLN  24   1.476  -8.293  -2.191
  150    HB2  GLN  24           HB2      GLN  24   1.100  -5.362  -1.619
  151    HB3  GLN  24           HB1      GLN  24   1.037  -6.607  -0.381
  152    HG2  GLN  24           HG2      GLN  24   3.397  -6.043  -2.159
  153    HG3  GLN  24           HG1      GLN  24   3.216  -5.496  -0.491
  154   HE21  GLN  24          1HE2      GLN  24   5.216  -7.257  -1.709
  155   HE22  GLN  24          2HE2      GLN  24   5.162  -8.724  -0.814
  156    H    CYS  25           HN       CYS  25  -0.208  -9.356  -1.518
  157    HA   CYS  25           HA       CYS  25  -2.863  -8.194  -1.836
  158    HB2  CYS  25           HB2      CYS  25  -1.982 -11.080  -1.564
  159    HB3  CYS  25           HB1      CYS  25  -3.660 -10.544  -1.552
  160    H    PHE  26           HN       PHE  26  -3.934  -7.679  -0.093
  161    HA   PHE  26           HA       PHE  26  -2.564  -8.102   2.442
  162    HB2  PHE  26           HB2      PHE  26  -4.891  -6.289   1.784
  163    HB3  PHE  26           HB1      PHE  26  -3.984  -6.304   3.290
  164    HD1  PHE  26           HD1      PHE  26  -1.489  -5.746   3.164
  165    HD2  PHE  26           HD2      PHE  26  -4.219  -4.935   0.006
  166    HE1  PHE  26           HE1      PHE  26   0.078  -4.094   2.239
  167    HE2  PHE  26           HE2      PHE  26  -2.657  -3.283  -0.928
  168    HZ   PHE  26           HZ       PHE  26  -0.503  -2.862   0.191
  169    HA   PRO  27           HA       PRO  27  -5.645 -11.377   3.019
  170    HB2  PRO  27           HB2      PRO  27  -4.478 -12.492   5.194
  171    HB3  PRO  27           HB1      PRO  27  -3.925 -12.807   3.548
  172    HG2  PRO  27           HG2      PRO  27  -2.808 -10.972   5.616
  173    HG3  PRO  27           HG1      PRO  27  -1.952 -12.003   4.458
  174    HD2  PRO  27           HD2      PRO  27  -2.279  -9.319   4.127
  175    HD3  PRO  27           HD1      PRO  27  -2.128 -10.450   2.770
  176    H    ASP  28           HN       ASP  28  -4.534  -9.125   5.452
  177    HA   ASP  28           HA       ASP  28  -7.038  -9.547   6.943
  178    HB2  ASP  28           HB2      ASP  28  -4.541  -8.047   7.775
  179    HB3  ASP  28           HB1      ASP  28  -5.997  -8.208   8.739
  180    H1   GLY   1           HN       GLY   1   7.329   7.685   2.743
  181    HA2  GLY   1           HA2      GLY   1   8.457   5.826   1.758
  182    HA3  GLY   1           HA1      GLY   1   9.347   5.621   3.267
  183    H    PHE   2           HN       PHE   2   8.005   3.498   2.044
  184    HA   PHE   2           HA       PHE   2   5.948   2.948   4.044
  185    HB2  PHE   2           HB2      PHE   2   4.761   3.607   1.982
  186    HB3  PHE   2           HB1      PHE   2   5.668   2.408   1.074
  187    HD1  PHE   2           HD1      PHE   2   4.844   0.227   0.860
  188    HD2  PHE   2           HD2      PHE   2   3.250   2.779   3.861
  189    HE1  PHE   2           HE1      PHE   2   3.102  -1.442   1.353
  190    HE2  PHE   2           HE2      PHE   2   1.514   1.114   4.355
  191    HZ   PHE   2           HZ       PHE   2   1.440  -0.997   3.100
  192    H    CYS   3           HN       CYS   3   5.913   0.753   4.662
  193    HA   CYS   3           HA       CYS   3   7.663  -1.030   3.234
  194    HB2  CYS   3           HB2      CYS   3   9.065   0.148   4.902
  195    HB3  CYS   3           HB1      CYS   3   8.009  -0.444   6.179
  196    H    TRP   4           HN       TRP   4   6.989  -3.063   3.319
  197    HA   TRP   4           HA       TRP   4   5.114  -3.981   5.308
  198    HB2  TRP   4           HB2      TRP   4   3.718  -2.919   3.489
  199    HB3  TRP   4           HB1      TRP   4   4.450  -4.018   2.335
  200    HD1  TRP   4           HD1      TRP   4   3.712  -6.658   2.555
  201    HE1  TRP   4           HE1      TRP   4   1.586  -7.725   3.517
  202    HE3  TRP   4          3HE       TRP   4   1.956  -2.668   5.220
  203    HZ2  TRP   4           HZ2      TRP   4  -0.576  -6.963   5.178
  204    HZ3  TRP   4           HZ3      TRP   4  -0.154  -2.918   6.461
  205    HH2  TRP   4          2HH       TRP   4  -1.391  -5.018   6.437
  206    H    HIS   5           HN       HIS   5   5.438  -6.143   5.594
  207    HA   HIS   5           HA       HIS   5   6.342  -8.221   5.492
  208    HB2  HIS   5           HB2      HIS   5   5.065  -8.247   3.309
  209    HB3  HIS   5           HB1      HIS   5   6.531  -7.736   2.490
  210    HD1  HIS   5           HD1      HIS   5   7.455  -9.722   1.260
  211    HD2  HIS   5           HD2      HIS   5   5.849 -10.756   4.942
  212    HE1  HIS   5           HE1      HIS   5   7.797 -12.204   1.493
  213    H    HIS   6           HN       HIS   6   7.990  -5.796   5.691
  214    HA   HIS   6           HA       HIS   6  10.075  -5.214   6.147
  215    HB2  HIS   6           HB2      HIS   6  10.882  -8.053   5.453
  216    HB3  HIS   6           HB1      HIS   6  11.974  -6.826   6.086
  217    HD1  HIS   6           HD1      HIS   6  11.871  -6.353   8.628
  218    HD2  HIS   6           HD2      HIS   6   9.017  -9.046   7.276
  219    HE1  HIS   6           HE1      HIS   6  10.869  -7.394  10.686
  220    H    SER   7           HN       SER   7   8.912  -5.510   3.277
  221    HA   SER   7           HA       SER   7  11.367  -4.728   1.926
  222    HB2  SER   7           HB2      SER   7   8.567  -5.174   0.844
  223    HB3  SER   7           HB1      SER   7  10.022  -4.900  -0.120
  224    HG   SER   7           HG       SER   7  10.696  -6.835   1.358
  225    H    CYS   8           HN       CYS   8  11.809  -2.641   2.153
  226    HA   CYS   8           HA       CYS   8   9.576  -0.800   2.669
  227    HB2  CYS   8           HB2      CYS   8  12.481  -0.402   3.347
  228    HB3  CYS   8           HB1      CYS   8  11.128   0.575   3.888
  229    H    VAL   9           HN       VAL   9   9.108   0.538   1.060
  230    HA   VAL   9           HA       VAL   9  11.092   0.970  -0.994
  231    HB   VAL   9           HB       VAL   9   9.250   2.166  -2.257
  232   HG11  VAL   9          HG11      VAL   9   8.669  -0.668  -1.404
  233   HG12  VAL   9          HG12      VAL   9   9.744  -0.168  -2.709
  234   HG13  VAL   9          3HG1      VAL   9   8.010   0.122  -2.836
  235   HG21  VAL   9          HG21      VAL   9   7.842   2.820  -0.351
  236   HG22  VAL   9          HG22      VAL   9   7.498   1.119  -0.023
  237   HG23  VAL   9          HG23      VAL   9   6.925   1.860  -1.514
  238    HA   PRO  10           HA       PRO  10  12.777   4.651   0.711
  239    HB2  PRO  10           HB2      PRO  10  12.770   5.560  -2.124
  240    HB3  PRO  10           HB1      PRO  10  14.086   5.571  -0.947
  241    HG2  PRO  10           HG2      PRO  10  13.993   3.732  -2.861
  242    HG3  PRO  10           HG1      PRO  10  14.532   3.316  -1.227
  243    HD2  PRO  10           HD2      PRO  10  11.963   2.698  -2.588
  244    HD3  PRO  10           HD1      PRO  10  12.866   1.772  -1.368
  245    H    SER  11           HN       SER  11  12.251   6.717   1.254
  246    HA   SER  11           HA       SER  11   9.643   7.598   1.268
  247    HB2  SER  11           HB2      SER  11  12.083   9.361   1.391
  248    HB3  SER  11           HB1      SER  11  10.550   9.564   2.233
  249    HG   SER  11           HG       SER  11  11.025   7.679   3.451
  250    H    GLY  12           HN       GLY  12   8.415   8.678  -0.226
  251    HA2  GLY  12           HA2      GLY  12   8.298  10.474  -1.847
  252    HA3  GLY  12           HA1      GLY  12   9.815   9.884  -2.511
  253    H    THR  13           HN       THR  13   8.664   7.094  -1.934
  254    HA   THR  13           HA       THR  13   7.789   6.608  -4.561
  255    HB   THR  13           HB       THR  13   7.652   4.803  -2.130
  256    HG1  THR  13           HG1      THR  13   9.765   5.319  -2.584
  257   HG21  THR  13          HG21      THR  13   7.551   2.953  -3.760
  258   HG22  THR  13          HG22      THR  13   7.499   4.120  -5.080
  259   HG23  THR  13          HG23      THR  13   6.160   4.026  -3.936
  260    H    CYS  14           HN       CYS  14   5.881   6.754  -5.418
  261    HA   CYS  14           HA       CYS  14   3.585   7.086  -3.674
  262    HB2  CYS  14           HB2      CYS  14   3.866   7.655  -6.630
  263    HB3  CYS  14           HB1      CYS  14   2.471   8.049  -5.636
  264    H    ALA  15           HN       ALA  15   1.686   5.735  -3.980
  265    HA   ALA  15           HA       ALA  15   2.097   3.500  -5.804
  266    HB1  ALA  15           HB1      ALA  15   1.313   1.933  -4.128
  267    HB2  ALA  15           HB2      ALA  15   1.146   3.243  -2.962
  268    HB3  ALA  15           HB3      ALA  15   2.746   2.785  -3.552
  269    H    ASP  16           HN       ASP  16   0.232   2.485  -6.481
  270    HA   ASP  16           HA       ASP  16  -2.144   4.195  -6.456
  271    HB2  ASP  16           HB2      ASP  16  -1.220   3.656  -8.659
  272    HB3  ASP  16           HB1      ASP  16  -1.309   1.940  -8.293
  273    H    PHE  17           HN       PHE  17  -4.004   3.492  -5.480
  274    HA   PHE  17           HA       PHE  17  -4.198   0.656  -4.782
  275    HB2  PHE  17           HB2      PHE  17  -4.872   3.061  -3.074
  276    HB3  PHE  17           HB1      PHE  17  -5.389   1.428  -2.709
  277    HD1  PHE  17           HD1      PHE  17  -3.848  -0.199  -1.908
  278    HD2  PHE  17           HD2      PHE  17  -2.604   3.772  -2.756
  279    HE1  PHE  17           HE1      PHE  17  -1.839  -0.571  -0.605
  280    HE2  PHE  17           HE2      PHE  17  -0.564   3.420  -1.449
  281    HZ   PHE  17           HZ       PHE  17  -0.170   1.243  -0.358
  282    HA   PRO  18           HA       PRO  18  -8.368   1.312  -6.326
  283    HB2  PRO  18           HB2      PRO  18  -9.751  -0.621  -5.098
  284    HB3  PRO  18           HB1      PRO  18  -8.496  -1.028  -6.275
  285    HG2  PRO  18           HG2      PRO  18  -8.393  -1.078  -3.292
  286    HG3  PRO  18           HG1      PRO  18  -7.724  -2.238  -4.448
  287    HD2  PRO  18           HD2      PRO  18  -6.299  -0.259  -3.185
  288    HD3  PRO  18           HD1      PRO  18  -5.781  -1.017  -4.691
  289    H    TRP  19           HN       TRP  19 -10.642   1.689  -5.496
  290    HA   TRP  19           HA       TRP  19 -10.674   3.602  -3.392
  291    HB2  TRP  19           HB2      TRP  19 -12.221   3.540  -5.396
  292    HB3  TRP  19           HB1      TRP  19 -13.002   2.136  -4.689
  293    HD1  TRP  19           HD1      TRP  19 -12.657   5.923  -4.241
  294    HE1  TRP  19           HE1      TRP  19 -14.584   6.756  -2.753
  295    HE3  TRP  19          3HE       TRP  19 -14.646   1.426  -2.875
  296    HZ2  TRP  19           HZ2      TRP  19 -16.676   5.664  -1.225
  297    HZ3  TRP  19           HZ3      TRP  19 -16.611   1.402  -1.401
  298    HH2  TRP  19          2HH       TRP  19 -17.605   3.481  -0.590
  299    HA   PRO  20           HA       PRO  20 -11.955   4.331  -1.799
  300    HB2  PRO  20           HB2      PRO  20 -12.089   4.400   1.014
  301    HB3  PRO  20           HB1      PRO  20 -13.447   4.405  -0.108
  302    HG2  PRO  20           HG2      PRO  20 -12.823   2.345   1.690
  303    HG3  PRO  20           HG1      PRO  20 -13.915   2.217   0.303
  304    HD2  PRO  20           HD2      PRO  20 -11.043   1.424   0.541
  305    HD3  PRO  20           HD1      PRO  20 -12.374   0.607  -0.311
  306    H    LEU  21           HN       LEU  21  -9.348   2.546  -1.175
  307    HA   LEU  21           HA       LEU  21  -7.820   4.064   0.695
  308    HB2  LEU  21           HB2      LEU  21  -7.539   1.638  -0.481
  309    HB3  LEU  21           HB1      LEU  21  -6.504   2.583  -1.519
  310    HG   LEU  21           HG       LEU  21  -5.139   1.485   0.091
  311   HD11  LEU  21          HD11      LEU  21  -5.374   4.356   0.903
  312   HD12  LEU  21          HD12      LEU  21  -4.420   3.709  -0.431
  313   HD13  LEU  21          HD13      LEU  21  -4.010   3.283   1.229
  314   HD21  LEU  21          HD21      LEU  21  -6.792   0.982   1.767
  315   HD22  LEU  21          HD22      LEU  21  -6.885   2.683   2.224
  316   HD23  LEU  21          HD23      LEU  21  -5.401   1.774   2.502
  317    H    GLY  22           HN       GLY  22  -7.879   3.878  -2.850
  318    HA2  GLY  22           HA2      GLY  22  -7.860   5.616  -4.382
  319    HA3  GLY  22           HA1      GLY  22  -7.546   6.746  -3.072
  320    H    HIS  23           HN       HIS  23  -5.927   7.798  -4.180
  321    HA   HIS  23           HA       HIS  23  -3.574   6.199  -4.810
  322    HB2  HIS  23           HB2      HIS  23  -2.726   8.231  -6.014
  323    HB3  HIS  23           HB1      HIS  23  -4.238   7.636  -6.668
  324    HD1  HIS  23           HD1      HIS  23  -2.658  10.698  -5.318
  325    HD2  HIS  23           HD2      HIS  23  -6.507   9.284  -5.979
  326    HE1  HIS  23           HE1      HIS  23  -4.166  12.709  -5.264
  327    H    GLN  24           HN       GLN  24  -1.938   6.142  -3.421
  328    HA   GLN  24           HA       GLN  24  -1.750   8.336  -1.501
  329    HB2  GLN  24           HB2      GLN  24  -1.414   5.397  -0.897
  330    HB3  GLN  24           HB1      GLN  24  -1.037   6.702   0.218
  331    HG2  GLN  24           HG2      GLN  24  -3.748   6.040  -0.903
  332    HG3  GLN  24           HG1      GLN  24  -3.181   5.706   0.731
  333   HE21  GLN  24          1HE2      GLN  24  -5.437   7.269  -0.199
  334   HE22  GLN  24          2HE2      GLN  24  -5.230   8.857   0.438
  335    H    CYS  25           HN       CYS  25   0.174   9.183  -1.338
  336    HA   CYS  25           HA       CYS  25   2.343   7.623  -2.440
  337    HB2  CYS  25           HB2      CYS  25   1.859   9.632  -3.810
  338    HB3  CYS  25           HB1      CYS  25   2.112  10.650  -2.398
  339    H    PHE  26           HN       PHE  26   4.337   7.663  -1.263
  340    HA   PHE  26           HA       PHE  26   3.787   8.264   1.550
  341    HB2  PHE  26           HB2      PHE  26   5.629   6.151   0.440
  342    HB3  PHE  26           HB1      PHE  26   5.135   6.355   2.117
  343    HD1  PHE  26           HD1      PHE  26   2.627   6.102   2.623
  344    HD2  PHE  26           HD2      PHE  26   4.445   4.758  -0.975
  345    HE1  PHE  26           HE1      PHE  26   0.734   4.585   2.232
  346    HE2  PHE  26           HE2      PHE  26   2.559   3.240  -1.366
  347    HZ   PHE  26           HZ       PHE  26   0.696   3.155   0.241
  348    HA   PRO  27           HA       PRO  27   7.348  11.031   0.545
  349    HB2  PRO  27           HB2      PRO  27   6.313  12.497   2.887
  350    HB3  PRO  27           HB1      PRO  27   6.614  13.082   1.247
  351    HG2  PRO  27           HG2      PRO  27   4.116  12.770   2.135
  352    HG3  PRO  27           HG1      PRO  27   4.554  12.361   0.468
  353    HD2  PRO  27           HD2      PRO  27   4.223  10.550   2.825
  354    HD3  PRO  27           HD1      PRO  27   3.581  10.374   1.175
  355    H    ASP  28           HN       ASP  28   6.317   9.450   3.442
  356    HA   ASP  28           HA       ASP  28   8.898   9.869   4.772
  357    HB2  ASP  28           HB2      ASP  28   6.810  10.033   6.104
  358    HB3  ASP  28           HB1      ASP  28   6.433   8.371   5.695
  Start of MODEL   20
    1    H1   GLY   1           HN       GLY   1  -6.156  -7.630   4.377
    2    HA2  GLY   1           HA2      GLY   1  -7.159  -5.753   3.412
    3    HA3  GLY   1           HA1      GLY   1  -7.925  -5.397   4.957
    4    H    PHE   2           HN       PHE   2  -6.954  -3.287   3.899
    5    HA   PHE   2           HA       PHE   2  -4.513  -2.784   5.398
    6    HB2  PHE   2           HB2      PHE   2  -3.811  -3.272   3.088
    7    HB3  PHE   2           HB1      PHE   2  -4.920  -2.056   2.485
    8    HD1  PHE   2           HD1      PHE   2  -4.108   0.054   2.045
    9    HD2  PHE   2           HD2      PHE   2  -2.030  -2.429   4.801
   10    HE1  PHE   2           HE1      PHE   2  -2.319   1.728   2.199
   11    HE2  PHE   2           HE2      PHE   2  -0.239  -0.757   4.962
   12    HZ   PHE   2           HZ       PHE   2  -0.383   1.324   3.657
   13    H    CYS   3           HN       CYS   3  -4.510  -0.791   6.306
   14    HA   CYS   3           HA       CYS   3  -6.668   1.035   5.583
   15    HB2  CYS   3           HB2      CYS   3  -5.752   0.298   8.368
   16    HB3  CYS   3           HB1      CYS   3  -6.875   1.598   7.991
   17    H    TRP   4           HN       TRP   4  -5.980   3.003   5.224
   18    HA   TRP   4           HA       TRP   4  -3.503   3.943   6.410
   19    HB2  TRP   4           HB2      TRP   4  -2.965   2.800   4.246
   20    HB3  TRP   4           HB1      TRP   4  -4.064   3.889   3.429
   21    HD1  TRP   4           HD1      TRP   4  -3.161   6.340   2.922
   22    HE1  TRP   4           HE1      TRP   4  -0.812   7.354   2.937
   23    HE3  TRP   4          3HE       TRP   4  -0.740   2.694   5.544
   24    HZ2  TRP   4           HZ2      TRP   4   1.749   6.704   3.944
   25    HZ3  TRP   4           HZ3      TRP   4   1.664   2.959   5.987
   26    HH2  TRP   4          2HH       TRP   4   2.882   4.920   5.203
   27    H    HIS   5           HN       HIS   5  -3.883   6.003   7.047
   28    HA   HIS   5           HA       HIS   5  -4.919   7.951   7.450
   29    HB2  HIS   5           HB2      HIS   5  -5.416   7.755   4.475
   30    HB3  HIS   5           HB1      HIS   5  -5.929   9.155   5.405
   31    HD1  HIS   5           HD1      HIS   5  -3.472   8.732   3.112
   32    HD2  HIS   5           HD2      HIS   5  -3.242   9.583   7.182
   33    HE1  HIS   5           HE1      HIS   5  -1.303   9.947   3.463
   34    H    HIS   6           HN       HIS   6  -6.368   5.612   7.983
   35    HA   HIS   6           HA       HIS   6  -8.318   4.932   8.814
   36    HB2  HIS   6           HB2      HIS   6  -9.220   7.754   8.260
   37    HB3  HIS   6           HB1      HIS   6 -10.345   6.543   8.856
   38    HD1  HIS   6           HD1      HIS   6 -10.705   7.170  11.268
   39    HD2  HIS   6           HD2      HIS   6  -6.711   7.328  10.156
   40    HE1  HIS   6           HE1      HIS   6  -9.421   7.690  13.364
   41    H    SER   7           HN       SER   7  -7.871   5.517   5.647
   42    HA   SER   7           HA       SER   7 -10.465   4.517   4.871
   43    HB2  SER   7           HB2      SER   7  -8.033   5.247   3.232
   44    HB3  SER   7           HB1      SER   7  -9.616   4.817   2.575
   45    HG   SER   7           HG       SER   7 -10.277   6.630   4.122
   46    H    CYS   8           HN       CYS   8 -10.813   2.416   4.766
   47    HA   CYS   8           HA       CYS   8  -8.490   0.649   4.684
   48    HB2  CYS   8           HB2      CYS   8 -11.233   0.174   5.835
   49    HB3  CYS   8           HB1      CYS   8  -9.946  -1.027   5.757
   50    H    VAL   9           HN       VAL   9  -8.332  -0.861   3.236
   51    HA   VAL   9           HA       VAL   9 -10.478  -1.110   1.273
   52    HB   VAL   9           HB       VAL   9  -8.735  -2.002  -0.299
   53   HG11  VAL   9          HG11      VAL   9  -8.198   0.726   0.856
   54   HG12  VAL   9          HG12      VAL   9  -9.315   0.333  -0.455
   55   HG13  VAL   9          3HG1      VAL   9  -7.573   0.161  -0.686
   56   HG21  VAL   9          HG21      VAL   9  -6.353  -1.698   0.236
   57   HG22  VAL   9          HG22      VAL   9  -7.120  -2.829   1.355
   58   HG23  VAL   9          HG23      VAL   9  -6.793  -1.170   1.859
   59    HA   PRO  10           HA       PRO  10 -11.512  -5.040   2.819
   60    HB2  PRO  10           HB2      PRO  10 -12.003  -6.413   0.465
   61    HB3  PRO  10           HB1      PRO  10 -13.145  -5.334   1.272
   62    HG2  PRO  10           HG2      PRO  10 -11.311  -4.784  -1.022
   63    HG3  PRO  10           HG1      PRO  10 -12.986  -4.255  -0.777
   64    HD2  PRO  10           HD2      PRO  10 -10.942  -2.590  -0.376
   65    HD3  PRO  10           HD1      PRO  10 -12.361  -2.566   0.692
   66    H    SER  11           HN       SER  11 -10.860  -7.168   3.111
   67    HA   SER  11           HA       SER  11  -8.132  -7.758   2.806
   68    HB2  SER  11           HB2      SER  11 -10.443  -9.601   3.414
   69    HB3  SER  11           HB1      SER  11  -8.755  -9.785   3.900
   70    HG   SER  11           HG       SER  11 -10.346  -8.868   5.455
   71    H    GLY  12           HN       GLY  12  -7.138  -8.589   1.095
   72    HA2  GLY  12           HA2      GLY  12  -7.099 -10.305  -0.632
   73    HA3  GLY  12           HA1      GLY  12  -8.779  -9.905  -0.972
   74    H    THR  13           HN       THR  13  -7.523  -7.035  -0.332
   75    HA   THR  13           HA       THR  13  -7.315  -6.206  -3.034
   76    HB   THR  13           HB       THR  13  -6.475  -4.780  -0.496
   77    HG1  THR  13           HG1      THR  13  -8.589  -4.960  -0.302
   78   HG21  THR  13          HG21      THR  13  -6.666  -2.717  -1.829
   79   HG22  THR  13          HG22      THR  13  -7.014  -3.677  -3.264
   80   HG23  THR  13          HG23      THR  13  -5.433  -3.790  -2.493
   81    H    CYS  14           HN       CYS  14  -5.603  -6.388  -4.337
   82    HA   CYS  14           HA       CYS  14  -2.959  -6.642  -3.115
   83    HB2  CYS  14           HB2      CYS  14  -3.864  -7.522  -5.851
   84    HB3  CYS  14           HB1      CYS  14  -2.291  -7.823  -5.112
   85    H    ALA  15           HN       ALA  15  -1.438  -5.228  -3.656
   86    HA   ALA  15           HA       ALA  15  -2.111  -3.236  -5.684
   87    HB1  ALA  15           HB1      ALA  15  -0.789  -2.705  -3.020
   88    HB2  ALA  15           HB2      ALA  15  -2.437  -2.257  -3.460
   89    HB3  ALA  15           HB3      ALA  15  -1.070  -1.511  -4.287
   90    H    ASP  16           HN       ASP  16  -0.420  -2.507  -6.879
   91    HA   ASP  16           HA       ASP  16   1.868  -4.318  -6.946
   92    HB2  ASP  16           HB2      ASP  16   1.148  -2.136  -8.916
   93    HB3  ASP  16           HB1      ASP  16   2.327  -3.418  -9.146
   94    H    PHE  17           HN       PHE  17   3.484  -3.688  -5.647
   95    HA   PHE  17           HA       PHE  17   4.138  -0.849  -5.538
   96    HB2  PHE  17           HB2      PHE  17   4.926  -3.159  -3.733
   97    HB3  PHE  17           HB1      PHE  17   5.513  -1.521  -3.555
   98    HD1  PHE  17           HD1      PHE  17   3.962   0.285  -2.945
   99    HD2  PHE  17           HD2      PHE  17   2.797  -3.802  -2.929
  100    HE1  PHE  17           HE1      PHE  17   2.069   0.843  -1.512
  101    HE2  PHE  17           HE2      PHE  17   0.887  -3.258  -1.491
  102    HZ   PHE  17           HZ       PHE  17   0.515  -0.932  -0.774
  103    HA   PRO  18           HA       PRO  18   7.793  -1.831  -7.800
  104    HB2  PRO  18           HB2      PRO  18   9.597  -0.045  -6.879
  105    HB3  PRO  18           HB1      PRO  18   8.230   0.434  -7.889
  106    HG2  PRO  18           HG2      PRO  18   8.610   0.725  -4.955
  107    HG3  PRO  18           HG1      PRO  18   7.779   1.795  -6.092
  108    HD2  PRO  18           HD2      PRO  18   6.565  -0.014  -4.385
  109    HD3  PRO  18           HD1      PRO  18   5.789   0.700  -5.798
  110    H    TRP  19           HN       TRP  19  10.129  -2.397  -7.539
  111    HA   TRP  19           HA       TRP  19  10.552  -4.437  -5.670
  112    HB2  TRP  19           HB2      TRP  19  11.757  -4.110  -7.867
  113    HB3  TRP  19           HB1      TRP  19  12.646  -2.791  -7.128
  114    HD1  TRP  19           HD1      TRP  19  12.364  -6.605  -7.078
  115    HE1  TRP  19           HE1      TRP  19  14.486  -7.582  -6.008
  116    HE3  TRP  19          3HE       TRP  19  14.551  -2.262  -5.521
  117    HZ2  TRP  19           HZ2      TRP  19  16.790  -6.636  -4.680
  118    HZ3  TRP  19           HZ3      TRP  19  16.703  -2.381  -4.357
  119    HH2  TRP  19          2HH       TRP  19  17.807  -4.523  -3.944
  120    HA   PRO  20           HA       PRO  20  12.044  -5.366  -4.459
  121    HB2  PRO  20           HB2      PRO  20  12.772  -6.120  -2.026
  122    HB3  PRO  20           HB1      PRO  20  13.890  -5.253  -3.085
  123    HG2  PRO  20           HG2      PRO  20  12.331  -4.243  -0.753
  124    HG3  PRO  20           HG1      PRO  20  13.965  -3.813  -1.281
  125    HD2  PRO  20           HD2      PRO  20  11.613  -2.365  -1.808
  126    HD3  PRO  20           HD1      PRO  20  13.180  -2.141  -2.605
  127    H    LEU  21           HN       LEU  21   9.631  -3.675  -3.153
  128    HA   LEU  21           HA       LEU  21   8.494  -5.606  -1.372
  129    HB2  LEU  21           HB2      LEU  21   8.159  -3.170  -1.090
  130    HB3  LEU  21           HB1      LEU  21   7.259  -3.143  -2.590
  131    HG   LEU  21           HG       LEU  21   5.450  -4.396  -1.598
  132   HD11  LEU  21          HD11      LEU  21   7.128  -4.465   0.902
  133   HD12  LEU  21          HD12      LEU  21   6.848  -5.844  -0.168
  134   HD13  LEU  21          HD13      LEU  21   5.504  -5.123   0.703
  135   HD21  LEU  21          HD21      LEU  21   4.762  -2.833   0.135
  136   HD22  LEU  21          HD22      LEU  21   5.481  -1.987  -1.234
  137   HD23  LEU  21          HD23      LEU  21   6.410  -2.218   0.247
  138    H    GLY  22           HN       GLY  22   7.696  -4.424  -4.608
  139    HA2  GLY  22           HA2      GLY  22   6.881  -5.594  -6.403
  140    HA3  GLY  22           HA1      GLY  22   6.991  -7.060  -5.439
  141    H    HIS  23           HN       HIS  23   5.029  -7.818  -6.114
  142    HA   HIS  23           HA       HIS  23   2.662  -6.179  -5.822
  143    HB2  HIS  23           HB2      HIS  23   2.852  -9.118  -6.579
  144    HB3  HIS  23           HB1      HIS  23   1.485  -8.036  -6.804
  145    HD1  HIS  23           HD1      HIS  23   1.607  -6.348  -8.874
  146    HD2  HIS  23           HD2      HIS  23   4.829  -8.963  -8.508
  147    HE1  HIS  23           HE1      HIS  23   2.836  -6.246 -11.030
  148    H    GLN  24           HN       GLN  24   1.480  -6.146  -3.990
  149    HA   GLN  24           HA       GLN  24   1.877  -8.342  -2.067
  150    HB2  GLN  24           HB2      GLN  24   1.620  -5.395  -1.479
  151    HB3  GLN  24           HB1      GLN  24   1.529  -6.648  -0.255
  152    HG2  GLN  24           HG2      GLN  24   3.903  -6.180  -2.039
  153    HG3  GLN  24           HG1      GLN  24   3.723  -5.515  -0.418
  154   HE21  GLN  24          1HE2      GLN  24   4.257  -8.370  -2.281
  155   HE22  GLN  24          2HE2      GLN  24   4.764  -9.389  -0.988
  156    H    CYS  25           HN       CYS  25   0.117  -9.247  -1.308
  157    HA   CYS  25           HA       CYS  25  -2.487  -7.993  -1.824
  158    HB2  CYS  25           HB2      CYS  25  -1.733 -10.903  -1.467
  159    HB3  CYS  25           HB1      CYS  25  -3.389 -10.313  -1.560
  160    H    PHE  26           HN       PHE  26  -3.623  -7.373  -0.125
  161    HA   PHE  26           HA       PHE  26  -2.452  -7.823   2.508
  162    HB2  PHE  26           HB2      PHE  26  -4.719  -5.986   1.701
  163    HB3  PHE  26           HB1      PHE  26  -3.896  -5.997   3.255
  164    HD1  PHE  26           HD1      PHE  26  -1.404  -5.451   3.275
  165    HD2  PHE  26           HD2      PHE  26  -3.929  -4.671  -0.054
  166    HE1  PHE  26           HE1      PHE  26   0.229  -3.825   2.420
  167    HE2  PHE  26           HE2      PHE  26  -2.303  -3.049  -0.917
  168    HZ   PHE  26           HZ       PHE  26  -0.216  -2.622   0.325
  169    HA   PRO  27           HA       PRO  27  -5.542 -11.087   2.788
  170    HB2  PRO  27           HB2      PRO  27  -4.572 -12.277   5.019
  171    HB3  PRO  27           HB1      PRO  27  -3.841 -12.495   3.426
  172    HG2  PRO  27           HG2      PRO  27  -3.005 -10.700   5.664
  173    HG3  PRO  27           HG1      PRO  27  -2.002 -11.697   4.597
  174    HD2  PRO  27           HD2      PRO  27  -2.319  -9.022   4.251
  175    HD3  PRO  27           HD1      PRO  27  -2.036 -10.130   2.907
  176    H    ASP  28           HN       ASP  28  -4.733  -8.921   5.454
  177    HA   ASP  28           HA       ASP  28  -7.407  -9.460   6.559
  178    HB2  ASP  28           HB2      ASP  28  -5.424  -9.815   8.079
  179    HB3  ASP  28           HB1      ASP  28  -5.049  -8.106   7.914
  180    H1   GLY   1           HN       GLY   1   7.317   7.628   2.381
  181    HA2  GLY   1           HA2      GLY   1   7.990   5.734   1.243
  182    HA3  GLY   1           HA1      GLY   1   9.127   5.391   2.545
  183    H    PHE   2           HN       PHE   2   8.029   3.220   1.836
  184    HA   PHE   2           HA       PHE   2   6.038   2.672   3.867
  185    HB2  PHE   2           HB2      PHE   2   4.739   3.207   1.827
  186    HB3  PHE   2           HB1      PHE   2   5.645   1.994   0.939
  187    HD1  PHE   2           HD1      PHE   2   4.735  -0.114   0.718
  188    HD2  PHE   2           HD2      PHE   2   3.498   2.339   3.964
  189    HE1  PHE   2           HE1      PHE   2   3.068  -1.802   1.354
  190    HE2  PHE   2           HE2      PHE   2   1.830   0.654   4.605
  191    HZ   PHE   2           HZ       PHE   2   1.614  -1.421   3.297
  192    H    CYS   3           HN       CYS   3   6.173   0.544   4.581
  193    HA   CYS   3           HA       CYS   3   7.931  -1.223   3.148
  194    HB2  CYS   3           HB2      CYS   3   9.327   0.056   4.821
  195    HB3  CYS   3           HB1      CYS   3   8.309  -0.617   6.089
  196    H    TRP   4           HN       TRP   4   7.343  -3.324   3.401
  197    HA   TRP   4           HA       TRP   4   5.328  -4.034   5.354
  198    HB2  TRP   4           HB2      TRP   4   4.224  -2.954   3.311
  199    HB3  TRP   4           HB1      TRP   4   4.820  -4.316   2.386
  200    HD1  TRP   4           HD1      TRP   4   3.425  -6.514   2.485
  201    HE1  TRP   4           HE1      TRP   4   1.179  -7.132   3.534
  202    HE3  TRP   4          3HE       TRP   4   2.806  -2.431   5.490
  203    HZ2  TRP   4           HZ2      TRP   4  -0.641  -6.027   5.417
  204    HZ3  TRP   4           HZ3      TRP   4   0.775  -2.289   6.880
  205    HH2  TRP   4          2HH       TRP   4  -0.900  -4.047   6.840
  206    H    HIS   5           HN       HIS   5   5.648  -6.172   5.873
  207    HA   HIS   5           HA       HIS   5   6.681  -8.174   6.042
  208    HB2  HIS   5           HB2      HIS   5   6.370  -8.006   3.054
  209    HB3  HIS   5           HB1      HIS   5   7.143  -9.397   3.808
  210    HD1  HIS   5           HD1      HIS   5   3.967  -8.477   2.543
  211    HD2  HIS   5           HD2      HIS   5   5.290 -10.407   5.980
  212    HE1  HIS   5           HE1      HIS   5   2.012  -9.794   3.412
  213    H    HIS   6           HN       HIS   6   8.269  -5.842   6.047
  214    HA   HIS   6           HA       HIS   6  10.398  -5.257   6.412
  215    HB2  HIS   6           HB2      HIS   6  11.131  -8.114   5.707
  216    HB3  HIS   6           HB1      HIS   6  12.266  -6.919   6.318
  217    HD1  HIS   6           HD1      HIS   6  12.248  -6.504   8.869
  218    HD2  HIS   6           HD2      HIS   6   9.250  -9.041   7.550
  219    HE1  HIS   6           HE1      HIS   6  11.255  -7.532  10.930
  220    H    SER   7           HN       SER   7   9.126  -5.794   3.567
  221    HA   SER   7           HA       SER   7  11.521  -5.119   2.060
  222    HB2  SER   7           HB2      SER   7   8.714  -5.740   1.126
  223    HB3  SER   7           HB1      SER   7  10.145  -5.568   0.100
  224    HG   SER   7           HG       SER   7  10.122  -7.438   2.206
  225    H    CYS   8           HN       CYS   8  11.909  -3.006   1.968
  226    HA   CYS   8           HA       CYS   8   9.678  -1.165   2.418
  227    HB2  CYS   8           HB2      CYS   8  12.614  -0.645   2.813
  228    HB3  CYS   8           HB1      CYS   8  11.269   0.341   3.367
  229    H    VAL   9           HN       VAL   9   9.372   0.550   1.068
  230    HA   VAL   9           HA       VAL   9  11.139   0.696  -1.232
  231    HB   VAL   9           HB       VAL   9   9.218   1.619  -2.546
  232   HG11  VAL   9          HG11      VAL   9   8.038  -0.515  -2.858
  233   HG12  VAL   9          HG12      VAL   9   8.781  -1.113  -1.374
  234   HG13  VAL   9          3HG1      VAL   9   9.788  -0.713  -2.764
  235   HG21  VAL   9          HG21      VAL   9   7.561   0.796  -0.153
  236   HG22  VAL   9          HG22      VAL   9   6.916   1.319  -1.709
  237   HG23  VAL   9          HG23      VAL   9   7.828   2.448  -0.707
  238    HA   PRO  10           HA       PRO  10  12.377   4.630   0.106
  239    HB2  PRO  10           HB2      PRO  10  12.316   5.663  -2.648
  240    HB3  PRO  10           HB1      PRO  10  13.687   5.453  -1.557
  241    HG2  PRO  10           HG2      PRO  10  13.330   3.851  -3.673
  242    HG3  PRO  10           HG1      PRO  10  13.981   3.238  -2.143
  243    HD2  PRO  10           HD2      PRO  10  11.218   2.998  -3.259
  244    HD3  PRO  10           HD1      PRO  10  12.215   1.787  -2.422
  245    H    SER  11           HN       SER  11  11.793   6.702   0.598
  246    HA   SER  11           HA       SER  11   9.147   7.512   0.599
  247    HB2  SER  11           HB2      SER  11  11.619   9.243   0.730
  248    HB3  SER  11           HB1      SER  11  10.039   9.579   1.447
  249    HG   SER  11           HG       SER  11  11.396   8.753   3.027
  250    H    GLY  12           HN       GLY  12   7.919   8.572  -0.866
  251    HA2  GLY  12           HA2      GLY  12   7.778  10.234  -2.631
  252    HA3  GLY  12           HA1      GLY  12   9.247   9.539  -3.312
  253    H    THR  13           HN       THR  13   7.869   6.886  -2.288
  254    HA   THR  13           HA       THR  13   6.930   6.033  -4.761
  255    HB   THR  13           HB       THR  13   5.886   4.222  -3.098
  256    HG1  THR  13           HG1      THR  13   8.061   4.992  -1.546
  257   HG21  THR  13          HG21      THR  13   8.023   3.051  -3.216
  258   HG22  THR  13          HG22      THR  13   8.838   4.555  -3.662
  259   HG23  THR  13          HG23      THR  13   7.648   3.830  -4.751
  260    H    CYS  14           HN       CYS  14   4.856   5.607  -5.506
  261    HA   CYS  14           HA       CYS  14   2.608   6.482  -3.862
  262    HB2  CYS  14           HB2      CYS  14   2.989   7.223  -6.773
  263    HB3  CYS  14           HB1      CYS  14   1.580   7.591  -5.794
  264    H    ALA  15           HN       ALA  15   0.874   5.167  -4.045
  265    HA   ALA  15           HA       ALA  15   1.071   3.020  -6.042
  266    HB1  ALA  15           HB1      ALA  15   0.314   2.676  -3.148
  267    HB2  ALA  15           HB2      ALA  15   1.839   2.187  -3.882
  268    HB3  ALA  15           HB3      ALA  15   0.333   1.404  -4.370
  269    H    ASP  16           HN       ASP  16  -0.878   1.995  -6.567
  270    HA   ASP  16           HA       ASP  16  -3.214   3.760  -6.465
  271    HB2  ASP  16           HB2      ASP  16  -2.455   3.106  -8.696
  272    HB3  ASP  16           HB1      ASP  16  -2.551   1.408  -8.255
  273    H    PHE  17           HN       PHE  17  -4.534   3.283  -4.829
  274    HA   PHE  17           HA       PHE  17  -5.098   0.466  -4.272
  275    HB2  PHE  17           HB2      PHE  17  -5.430   2.906  -2.499
  276    HB3  PHE  17           HB1      PHE  17  -5.930   1.280  -2.079
  277    HD1  PHE  17           HD1      PHE  17  -4.267  -0.453  -1.650
  278    HD2  PHE  17           HD2      PHE  17  -3.153   3.594  -2.336
  279    HE1  PHE  17           HE1      PHE  17  -2.087  -0.894  -0.649
  280    HE2  PHE  17           HE2      PHE  17  -0.958   3.166  -1.336
  281    HZ   PHE  17           HZ       PHE  17  -0.413   0.921  -0.485
  282    HA   PRO  18           HA       PRO  18  -9.302   1.315  -5.561
  283    HB2  PRO  18           HB2      PRO  18 -10.298  -0.164  -3.207
  284    HB3  PRO  18           HB1      PRO  18 -10.528  -0.516  -4.923
  285    HG2  PRO  18           HG2      PRO  18  -8.926  -2.019  -3.400
  286    HG3  PRO  18           HG1      PRO  18  -8.529  -1.661  -5.090
  287    HD2  PRO  18           HD2      PRO  18  -7.416  -0.436  -2.591
  288    HD3  PRO  18           HD1      PRO  18  -6.595  -0.913  -4.082
  289    H    TRP  19           HN       TRP  19 -11.218   2.425  -4.952
  290    HA   TRP  19           HA       TRP  19 -10.928   4.617  -3.208
  291    HB2  TRP  19           HB2      TRP  19 -12.438   4.423  -5.251
  292    HB3  TRP  19           HB1      TRP  19 -13.505   3.413  -4.291
  293    HD1  TRP  19           HD1      TRP  19 -12.310   7.038  -4.638
  294    HE1  TRP  19           HE1      TRP  19 -14.012   8.584  -3.480
  295    HE3  TRP  19          3HE       TRP  19 -15.326   3.511  -2.501
  296    HZ2  TRP  19           HZ2      TRP  19 -16.313   8.355  -1.895
  297    HZ3  TRP  19           HZ3      TRP  19 -17.265   4.261  -1.182
  298    HH2  TRP  19          2HH       TRP  19 -17.745   6.633  -0.885
  299    HA   PRO  20           HA       PRO  20 -12.049   5.877  -1.844
  300    HB2  PRO  20           HB2      PRO  20 -12.210   6.615   0.811
  301    HB3  PRO  20           HB1      PRO  20 -13.584   6.408  -0.275
  302    HG2  PRO  20           HG2      PRO  20 -12.915   4.821   2.008
  303    HG3  PRO  20           HG1      PRO  20 -14.248   4.571   0.873
  304    HD2  PRO  20           HD2      PRO  20 -11.577   3.280   0.979
  305    HD3  PRO  20           HD1      PRO  20 -13.113   2.652   0.346
  306    H    LEU  21           HN       LEU  21  -9.716   3.912  -1.078
  307    HA   LEU  21           HA       LEU  21  -8.049   5.763   0.396
  308    HB2  LEU  21           HB2      LEU  21  -7.923   3.302   0.824
  309    HB3  LEU  21           HB1      LEU  21  -7.349   3.087  -0.816
  310    HG   LEU  21           HG       LEU  21  -5.272   4.218  -0.302
  311   HD11  LEU  21          HD11      LEU  21  -6.215   5.863   1.315
  312   HD12  LEU  21          HD12      LEU  21  -4.768   5.054   1.891
  313   HD13  LEU  21          HD13      LEU  21  -6.342   4.553   2.499
  314   HD21  LEU  21          HD21      LEU  21  -4.368   2.666   1.347
  315   HD22  LEU  21          HD22      LEU  21  -5.426   1.838   0.206
  316   HD23  LEU  21          HD23      LEU  21  -6.003   2.215   1.829
  317    H    GLY  22           HN       GLY  22  -8.044   4.157  -2.751
  318    HA2  GLY  22           HA2      GLY  22  -7.500   4.919  -4.827
  319    HA3  GLY  22           HA1      GLY  22  -7.584   6.541  -4.167
  320    H    HIS  23           HN       HIS  23  -5.884   7.262  -5.298
  321    HA   HIS  23           HA       HIS  23  -3.304   6.046  -5.286
  322    HB2  HIS  23           HB2      HIS  23  -4.260   8.793  -6.082
  323    HB3  HIS  23           HB1      HIS  23  -2.582   8.300  -6.210
  324    HD1  HIS  23           HD1      HIS  23  -1.940   7.002  -8.312
  325    HD2  HIS  23           HD2      HIS  23  -6.044   7.404  -7.819
  326    HE1  HIS  23           HE1      HIS  23  -2.979   6.200 -10.449
  327    H    GLN  24           HN       GLN  24  -1.958   6.062  -3.651
  328    HA   GLN  24           HA       GLN  24  -1.965   8.358  -1.813
  329    HB2  GLN  24           HB2      GLN  24  -1.560   5.438  -1.157
  330    HB3  GLN  24           HB1      GLN  24  -1.199   6.744  -0.043
  331    HG2  GLN  24           HG2      GLN  24  -3.915   6.173  -1.205
  332    HG3  GLN  24           HG1      GLN  24  -3.357   5.635   0.378
  333   HE21  GLN  24          1HE2      GLN  24  -4.387   8.326  -1.512
  334   HE22  GLN  24          2HE2      GLN  24  -4.596   9.433  -0.201
  335    H    CYS  25           HN       CYS  25  -0.038   9.249  -1.444
  336    HA   CYS  25           HA       CYS  25   2.309   7.917  -2.554
  337    HB2  CYS  25           HB2      CYS  25   1.742  10.856  -2.163
  338    HB3  CYS  25           HB1      CYS  25   3.340  10.225  -2.546
  339    H    PHE  26           HN       PHE  26   3.998   7.559  -1.342
  340    HA   PHE  26           HA       PHE  26   3.593   7.794   1.532
  341    HB2  PHE  26           HB2      PHE  26   5.524   6.096  -0.073
  342    HB3  PHE  26           HB1      PHE  26   5.226   5.970   1.664
  343    HD1  PHE  26           HD1      PHE  26   2.777   5.390   2.327
  344    HD2  PHE  26           HD2      PHE  26   4.397   4.802  -1.556
  345    HE1  PHE  26           HE1      PHE  26   1.019   3.739   1.847
  346    HE2  PHE  26           HE2      PHE  26   2.653   3.156  -2.048
  347    HZ   PHE  26           HZ       PHE  26   0.953   2.619  -0.344
  348    HA   PRO  27           HA       PRO  27   6.816  11.001   0.866
  349    HB2  PRO  27           HB2      PRO  27   5.935  12.154   3.390
  350    HB3  PRO  27           HB1      PRO  27   5.836  12.848   1.771
  351    HG2  PRO  27           HG2      PRO  27   3.640  12.056   3.161
  352    HG3  PRO  27           HG1      PRO  27   3.737  12.006   1.392
  353    HD2  PRO  27           HD2      PRO  27   4.093   9.785   3.367
  354    HD3  PRO  27           HD1      PRO  27   3.201   9.797   1.827
  355    H    ASP  28           HN       ASP  28   6.149   8.951   3.500
  356    HA   ASP  28           HA       ASP  28   8.841   9.323   4.616
  357    HB2  ASP  28           HB2      ASP  28   7.020   9.654   6.239
  358    HB3  ASP  28           HB1      ASP  28   6.332   8.097   5.825