*HEADER    VIRAL PROTEIN, MEMBRANE PROTEIN         15-JAN-09   2KDR              
*TITLE     SOLUTION STRUCTURE OF HCV NS4B(227-254)                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NON-STRUCTURAL PROTEIN 4B;                                 
*COMPND   3 CHAIN: X;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 1938-1965;                                    
*COMPND   5 SYNONYM: NS4B, P27;                                                  
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS SYNTHESIZED BY SOLID-PHASE            
*SOURCE   4 SYNTHESIS                                                            
*KEYWDS    HCV, NS4B, 227-254 SEGMENT, MEMBRANOUS WEB, REPLICATION               
*KEYWDS   2 COMPLEX, MEMBRANE, TRANSMEMBRANE, RNA-BINDING, PALMITATE,            
*KEYWDS   3 VIRAL PROTEIN, MEMBRANE PROTEIN                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    27                                                                    
*AUTHOR    R.MONTSERRET, F.PENIN                                                 
*REVDAT   1   29-SEP-09 2KDR    0                                                

!============================================================================
!   > RESTRAINTS FROM s26stfe50
!   > SEQUENCE
!  SDAAARVTAILSSLTVTQLLRRLHQWIS
!
!   > CORRECTION FACTOR FOR PSEUDO-ATOMS
! -CH2#       = +1.0 A (ex.: HB#  in F)
! -CH3#       = +1.0 A (ex.: HG2# in I)
! -Haromatic# = +2.0 A (ex.: HD*  in Y)
! -CH3*       = +2.4 A (ex.: HD*  in L)
! -Haromatic* = +2.4 A (ex.: H*   in F)
!============================================================================
!
!	<========== S1 ==========>
assign (resid 1     and name HA   )(resid 2     and name HN   )  3.9  2.1  0.4
assign (resid 1     and name HB2  )(resid 2     and name HN   )  5.0  3.2  0.5
assign (resid 1     and name HB1  )(resid 2     and name HN   )  5.0  3.2  0.5
!
!	<========== D2 ==========>
assign (resid 2     and name HN   )(resid 3     and name HN   )  3.9  2.1  0.4
assign (resid 2     and name HB#  )(resid 3     and name HN   )  3.9  2.1  1.4
!
!	<========== A3 ==========>
assign (resid 3     and name HN   )(resid 4     and name HN   )  2.8  1.0  0.3
assign (resid 3     and name HB#  )(resid 4     and name HN   )  2.8  1.0  1.3
!
!	<========== A4 ==========>
assign (resid 4     and name HN   )(resid 5     and name HN   )  2.8  1.0  0.3
assign (resid 4     and name HB#  )(resid 5     and name HN   )  2.8  1.0  1.3
assign (resid 4     and name HN   )(resid 6     and name HN   )  5.0  3.2  0.5
assign (resid 4     and name HA   )(resid 7     and name HB   )  2.8  1.0  0.3
!
!	<========== A5 ==========>
assign (resid 5     and name HN   )(resid 6     and name HN   )  2.8  1.0  0.3
assign (resid 5     and name HB#  )(resid 6     and name HN   )  2.8  1.0  1.3
assign (resid 5     and name HN   )(resid 7     and name HN   )  5.0  3.2  0.5
assign (resid 5     and name HA   )(resid 8     and name HN   )  2.8  1.0  0.3
assign (resid 5     and name HA   )(resid 8     and name HB   )  2.8  1.0  0.3
assign (resid 5     and name HA   )(resid 8     and name HG2# )  5.0  3.2  1.5
!
!	<========== R6 ==========>
assign (resid 6     and name HN   )(resid 7     and name HN   )  2.8  1.0  0.3
assign (resid 6     and name HA   )(resid 7     and name HN   )  2.8  1.0  0.3
assign (resid 6     and name HB#  )(resid 7     and name HN   )  2.8  1.0  1.3
assign (resid 6     and name HN   )(resid 8     and name HN   )  5.0  3.2  0.5
assign (resid 6     and name HA   )(resid 9     and name HN   )  2.8  1.0  0.3
assign (resid 6     and name HA   )(resid 9     and name HB#  )  2.8  1.0  1.3
!
!	<========== V7 ==========>
assign (resid 7     and name HN   )(resid 8     and name HN   )  2.8  1.0  0.3
assign (resid 7     and name HA   )(resid 8     and name HN   )  5.0  3.2  0.5
assign (resid 7     and name HB   )(resid 8     and name HN   )  2.8  1.0  0.3
assign (resid 7     and name HG2# )(resid 8     and name HN   )  5.0  3.2  1.5
assign (resid 7     and name HG1# )(resid 8     and name HN   )  5.0  3.2  1.5
assign (resid 7     and name HN   )(resid 9     and name HN   )  5.0  3.2  0.5
assign (resid 7     and name HA   )(resid 9     and name HN   )  5.0  3.2  0.5
assign (resid 7     and name HA   )(resid 10    and name HN   )  3.9  2.1  0.4
assign (resid 7     and name HA   )(resid 10    and name HB   )  2.8  1.0  0.3
assign (resid 7     and name HA   )(resid 11    and name HN   )  5.0  3.2  0.5
!
!	<========== T8 ==========>
assign (resid 8     and name HA   )(resid 9     and name HN   )  2.8  1.0  0.3
assign (resid 8     and name HB   )(resid 9     and name HN   )  3.9  2.1  0.4
assign (resid 8     and name HG2# )(resid 9     and name HN   )  3.9  2.1  1.4
assign (resid 8     and name HA   )(resid 10    and name HN   )  5.0  3.2  0.5
assign (resid 8     and name HA   )(resid 11    and name HN   )  5.0  3.2  0.5
assign (resid 8     and name HA   )(resid 11    and name HB2  )  3.9  2.1  0.4
!
!	<========== A9 ==========>
assign (resid 9     and name HN   )(resid 10    and name HN   )  2.8  1.0  0.3
assign (resid 9     and name HA   )(resid 10    and name HN   )  2.8  1.0  0.3
assign (resid 9     and name HB#  )(resid 10    and name HN   )  2.8  1.0  1.3
assign (resid 9     and name HN   )(resid 11    and name HN   )  5.0  3.2  0.5
assign (resid 9     and name HA   )(resid 11    and name HN   )  3.9  2.1  0.4
assign (resid 9     and name HA   )(resid 12    and name HN   )  2.8  1.0  0.3
assign (resid 9     and name HA   )(resid 13    and name HN   )  5.0  3.2  0.5
!
!	<========== I10 ==========>
assign (resid 10    and name HN   )(resid 11    and name HN   )  2.8  1.0  0.3
assign (resid 10    and name HA   )(resid 11    and name HN   )  5.0  3.2  0.5
assign (resid 10    and name HB   )(resid 11    and name HN   )  2.8  1.0  0.3
assign (resid 10    and name HA   )(resid 13    and name HN   )  3.9  2.1  0.4
!!!verrouillage supplementaire du run s26s_6:
!assign (resid 10    and name HA   )(resid 13    and name HB#  )  3.9  2.1  1.4
assign (resid 10    and name HA   )(resid 14    and name HN   )  5.0  3.2  0.5
!
!	<========== L11 ==========>
assign (resid 11    and name HN   )(resid 12    and name HN   )  2.8  1.0  0.3
assign (resid 11    and name HA   )(resid 12    and name HN   )  2.8  1.0  0.3
assign (resid 11    and name HB2  )(resid 12    and name HN   )  5.0  3.2  0.5
assign (resid 11    and name HB1  )(resid 12    and name HN   )  5.0  3.2  0.5
!ssign (resid 11    and name HN   )(resid 13    and name HN   )  
assign (resid 11    and name HA   )(resid 13    and name HN   )  5.0  3.2  0.5
!
!	<========== S12 ==========>
assign (resid 12    and name HN   )(resid 13    and name HN   )  2.8  1.0  0.3
assign (resid 12    and name HA   )(resid 13    and name HN   )  5.0  3.2  0.5
assign (resid 12    and name HB#  )(resid 13    and name HN   )  5.0  3.2  1.5
!
!	<========== S13 ==========>
assign (resid 13    and name HB1  )(resid 14    and name HN   )  5.0  3.2  0.5
assign (resid 13    and name HN   )(resid 14    and name HN   )  2.8  1.0  0.3
assign (resid 13    and name HA   )(resid 16    and name HN   )  5.0  3.2  0.5
assign (resid 13    and name HA   )(resid 16    and name HB   )  2.8  1.0  0.3
assign (resid 13    and name HA   )(resid 16    and name HG1# )  5.0  3.2  1.5
assign (resid 13    and name HA   )(resid 16    and name HG2# )  5.0  3.2  1.5
!s26s_2
!ssign (resid 13    and name HA   )(resid 16    and name HG1# )  3.9  2.1  1.4
!ssign (resid 13    and name HA   )(resid 16    and name HG2# )  3.9  2.1  1.4
assign (resid 13    and name HA   )(resid 17    and name HN   )  5.0  3.2  0.5
!
!	<========== L14 ==========>
assign (resid 14    and name HN   )(resid 15    and name HN   )  2.8  1.0  0.3
assign (resid 14    and name HA   )(resid 15    and name HN   )  3.9  2.1  0.4
assign (resid 14    and name HB1  )(resid 15    and name HN   )  3.9  2.1  0.4
assign (resid 14    and name HB2  )(resid 15    and name HN   )  2.8  1.0  0.3
assign (resid 14    and name HD*  )(resid 15    and name HN   )  5.0  3.2  2.9
assign (resid 14    and name HN   )(resid 16    and name HN   )  5.0  3.2  0.5
assign (resid 14    and name HA   )(resid 17    and name HN   )  3.9  2.1  0.4
assign (resid 14    and name HA   )(resid 17    and name HB   )  2.8  1.0  0.3
!
!	<========== T15 ==========>
assign (resid 15    and name HN   )(resid 16    and name HN   )  2.8  1.0  0.3
assign (resid 15    and name HA   )(resid 16    and name HN   )  5.0  3.2  0.5
assign (resid 15    and name HB   )(resid 16    and name HN   )  5.0  3.2  0.5
assign (resid 15    and name HG2# )(resid 16    and name HN   )  5.0  3.2  1.5
assign (resid 15    and name HA   )(resid 18    and name HN   )  3.9  2.1  0.4
!s26s_3
assign (resid 15    and name HA   )(resid 18    and name HB2  )  3.9  2.1  0.4
assign (resid 15    and name HA   )(resid 18    and name HB1  )  3.9  2.1  0.4
assign (resid 15    and name HA   )(resid 19    and name HN   )  5.0  3.2  0.5
!
!	<========== V16 ==========>
assign (resid 16    and name HN   )(resid 17    and name HN   )  2.8  1.0  0.3
assign (resid 16    and name HA   )(resid 17    and name HN   )  5.0  3.2  0.5 
assign (resid 16    and name HB   )(resid 17    and name HN   )  2.8  1.0  0.3
assign (resid 16    and name HG1# )(resid 17    and name HN   )  5.0  3.2  1.5
assign (resid 16    and name HG2# )(resid 17    and name HN   )  3.9  2.1  1.4
assign (resid 16    and name HN   )(resid 18    and name HN   )  5.0  3.2  0.5
assign (resid 16    and name HA   )(resid 18    and name HN   )  5.0  3.2  0.5
assign (resid 16    and name HA   )(resid 19    and name HN   )  3.9  2.1  0.4
assign (resid 16    and name HA   )(resid 19    and name HB#  )  2.8  1.0  1.3
assign (resid 16    and name HA   )(resid 19    and name HG   )  5.0  3.2  0.5
assign (resid 16    and name HA   )(resid 20    and name HN   )  5.0  3.2  0.5
!s26s_2
!ssign (resid 16    and name HA   )(resid 19    and name HG   )  3.9  2.1  0.4
!ssign (resid 16    and name HA   )(resid 20    and name HN   )  3.9  2.1  0.4
!
!	<========== T17 ==========>
assign (resid 17    and name HN   )(resid 18    and name HN   )  2.8  1.0  0.3
assign (resid 17    and name HA   )(resid 18    and name HN   )  3.9  2.1  0.4
assign (resid 17    and name HB   )(resid 18    and name HN   )  5.0  3.2  0.5
assign (resid 17    and name HG2# )(resid 18    and name HN   )  5.0  3.2  1.5
assign (resid 17    and name HA   )(resid 19    and name HN   )  5.0  3.2  0.5
!s26s_3
!ssign (resid 17    and name HA   )(resid 19    and name HN   )  3.9  2.1  0.4
assign (resid 17    and name HA   )(resid 20    and name HN   )  3.9  2.1  0.4
assign (resid 17    and name HA   )(resid 20    and name HB2  )  3.9  2.1  0.4
assign (resid 17    and name HA   )(resid 20    and name HB1  )  5.0  3.2  0.5
assign (resid 17    and name HA   )(resid 21    and name HN   )  5.0  3.2  0.5
!
!	<========== Q18 ==========>
assign (resid 18    and name HN   )(resid 19    and name HN   )  2.8  1.0  0.3
assign (resid 18    and name HA   )(resid 19    and name HN   )  2.8  1.0  0.3
assign (resid 18    and name HB1  )(resid 19    and name HN   )  2.8  1.0  0.3
assign (resid 18    and name HB2  )(resid 19    and name HN   )  2.8  1.0  0.3
assign (resid 18    and name HN   )(resid 20    and name HN   )  5.0  3.2  0.5
assign (resid 18    and name HA   )(resid 21    and name HN   )  2.8  1.0  0.3
assign (resid 18    and name HA   )(resid 22    and name HN   )  5.0  3.2  0.5
!
!	<========== L19 ==========>
assign (resid 19    and name HN   )(resid 20    and name HN   )  2.8  1.0  0.3
assign (resid 19    and name HB#  )(resid 20    and name HN   )  2.8  1.0  1.3
!
!	<========== L20 ==========>
assign (resid 20    and name HN   )(resid 21    and name HN   )  2.8  1.0  0.3
assign (resid 20    and name HA   )(resid 21    and name HN   )  3.9  2.1  0.4
assign (resid 20    and name HB1  )(resid 21    and name HN   )  5.0  3.2  0.5
assign (resid 20    and name HN   )(resid 22    and name HN   )  5.0  3.2  0.5
assign (resid 20    and name HA   )(resid 23    and name HN   )  3.9  2.1  0.4
!s26s_3
assign (resid 20    and name HA   )(resid 23    and name HB1  )  2.8  1.0  0.3
!
!	<========== R21 ==========>
assign (resid 21    and name HN   )(resid 22    and name HN   )  2.8  1.0  0.3
assign (resid 21    and name HA   )(resid 22    and name HN   )  3.9  2.1  0.4
assign (resid 21    and name HN   )(resid 23    and name HN   )  5.0  3.2  0.5
assign (resid 21    and name HA   )(resid 23    and name HN   )  5.0  3.2  0.5
assign (resid 21    and name HA   )(resid 24    and name HN   )  5.0  3.2  0.5
assign (resid 21    and name HA   )(resid 24    and name HB#  )  2.8  1.0  1.3
!
!	<========== R22 ==========>
assign (resid 22    and name HN   )(resid 23    and name HN   )  2.8  1.0  0.3
assign (resid 22    and name HA   )(resid 23    and name HN   )  3.9  2.1  0.4
assign (resid 22    and name HB2  )(resid 23    and name HN   )  2.8  1.0  0.3
assign (resid 22    and name HB1  )(resid 23    and name HN   )  2.8  1.0  0.3
assign (resid 22    and name HN   )(resid 24    and name HN   )  5.0  3.2  0.5
assign (resid 22    and name HA   )(resid 24    and name HN   )  5.0  3.2  0.5
assign (resid 22    and name HA   )(resid 25    and name HB2  )  3.9  2.1  1.4
assign (resid 22    and name HA   )(resid 25    and name HB1  )  3.9  2.1  1.4
assign (resid 22    and name HA   )(resid 26    and name HN   )  5.0  3.2  0.5
!
!	<========== L23 ==========>
assign (resid 23    and name HN   )(resid 24    and name HN   )  2.8  1.0  0.3
assign (resid 23    and name HA   )(resid 24    and name HN   )  5.0  3.2  0.5
assign (resid 23    and name HB1  )(resid 24    and name HN   )  3.9  2.1  0.4
assign (resid 23    and name HB2  )(resid 24    and name HN   )  3.9  2.1  0.4
assign (resid 23    and name HN   )(resid 25    and name HN   )  5.0  3.2  0.5
assign (resid 23    and name HA   )(resid 26    and name HN   )  5.0  3.2  0.5
assign (resid 23    and name HA   )(resid 26    and name HB2  )  3.9  2.1  0.4
assign (resid 23    and name HA   )(resid 26    and name HB1  )  3.9  2.1  0.4
assign (resid 23    and name HA   )(resid 27    and name HN   )  5.0  3.2  0.5
!
!	<========== H24 ==========>
assign (resid 24    and name HN   )(resid 25    and name HN   )  2.8  1.0  0.3
assign (resid 24    and name HA   )(resid 25    and name HN   )  5.0  3.2  0.5
assign (resid 24    and name HB#  )(resid 25    and name HN   )  2.8  1.0  1.3
assign (resid 24    and name HA   )(resid 27    and name HN   )  5.0  3.2  0.5
assign (resid 24    and name HA   )(resid 27    and name HB   )  2.8  1.0  0.3
assign (resid 24    and name HA   )(resid 27    and name HG12 )  3.9  2.1  1.4
assign (resid 24    and name HA   )(resid 27    and name HD1# )  3.9  2.1  1.4
assign (resid 24    and name HA   )(resid 27    and name HG2# )  3.9  2.1  1.4
!
!	<========== Q25 ==========>
assign (resid 25    and name HN   )(resid 26    and name HN   )  2.8  1.0  0.3
assign (resid 25    and name HA   )(resid 26    and name HN   )  5.0  3.2  0.5
assign (resid 25    and name HB1  )(resid 26    and name HN   )  3.9  2.1  0.4
assign (resid 25    and name HB2  )(resid 26    and name HN   )  3.9  2.1  0.4
assign (resid 25    and name HA   )(resid 27    and name HN   )  5.0  3.2  0.5
assign (resid 25    and name HA   )(resid 28    and name HN   )  5.0  3.2  0.5
!
!	<========== W26 ==========>
assign (resid 26    and name HB2  )(resid 27    and name HN   )  3.9  2.1  0.4
assign (resid 26    and name HB1  )(resid 27    and name HN   )  3.9  2.1  0.4
assign (resid 26    and name HN   )(resid 28    and name HN   )  5.0  3.2  0.5
!
!	<========== I27 ==========>
assign (resid 27    and name HN   )(resid 28    and name HN   )  2.8  1.0  0.3
assign (resid 27    and name HA   )(resid 28    and name HN   )  3.9  2.1  0.4
assign (resid 27    and name HB   )(resid 28    and name HN   )  3.9  2.1  0.4
assign (resid 27    and name HG12 )(resid 28    and name HN   )  5.0  3.2  0.5
assign (resid 27    and name HG2# )(resid 28    and name HN   )  5.0  3.2  1.5
!	<========== S28 ==========>
!
! =======================================================
! ==    Generation automatique des fichiers X-PLOR     ==
! ==       (c) IBCP-CNRS UPR 412, Lyon                 ==
! =======================================================
!
restraints dihedral reset
!
nassign=  2000
!
! Angles Phi et Psi 
!
!
!3A
assign (resid   2 and name C )(resid   3 and name N )
       (resid   3 and name CA)(resid   3 and name C ) 1.0  -63.0   10.4 2
assign (resid   3 and name N )(resid   3 and name CA)
       (resid   3 and name C )(resid   4 and name N ) 1.0  -40.5    9.4 2
!4A
assign (resid   3 and name C )(resid   4 and name N )
       (resid   4 and name CA)(resid   4 and name C ) 1.0  -60.4    4.2 2
assign (resid   4 and name N )(resid   4 and name CA)
       (resid   4 and name C )(resid   5 and name N ) 1.0  -46.4    5.9 2
!5A
assign (resid   4 and name C )(resid   5 and name N )
       (resid   5 and name CA)(resid   5 and name C ) 1.0  -63.0    3.8 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    7.7 2
!6R
assign (resid   5 and name C )(resid   6 and name N )
       (resid   6 and name CA)(resid   6 and name C ) 1.0  -63.2    3.3 2
assign (resid   6 and name N )(resid   6 and name CA)
       (resid   6 and name C )(resid   7 and name N ) 1.0  -41.9    5.2 2
!7V
assign (resid   6 and name C )(resid   7 and name N )
       (resid   7 and name CA)(resid   7 and name C ) 1.0  -60.9    6.6 2
assign (resid   7 and name N )(resid   7 and name CA)
       (resid   7 and name C )(resid   8 and name N ) 1.0  -45.2    4.3 2
!8T
assign (resid   7 and name C )(resid   8 and name N )
       (resid   8 and name CA)(resid   8 and name C ) 1.0  -64.4    5.2 2
assign (resid   8 and name N )(resid   8 and name CA)
       (resid   8 and name C )(resid   9 and name N ) 1.0  -44.7    5.3 2
!9A
assign (resid   8 and name C )(resid   9 and name N )
       (resid   9 and name CA)(resid   9 and name C ) 1.0  -60.3    4.7 2
assign (resid   9 and name N )(resid   9 and name CA)
       (resid   9 and name C )(resid  10 and name N ) 1.0  -42.0    7.8 2
!10I
assign (resid   9 and name C )(resid  10 and name N )
       (resid  10 and name CA)(resid  10 and name C ) 1.0  -62.4    5.4 2
assign (resid  10 and name N )(resid  10 and name CA)
       (resid  10 and name C )(resid  11 and name N ) 1.0  -46.7    5.8 2
!11L
assign (resid  10 and name C )(resid  11 and name N )
       (resid  11 and name CA)(resid  11 and name C ) 1.0  -59.3    3.4 2
assign (resid  11 and name N )(resid  11 and name CA)
       (resid  11 and name C )(resid  12 and name N ) 1.0  -46.3    4.8 2
!12S
assign (resid  11 and name C )(resid  12 and name N )
       (resid  12 and name CA)(resid  12 and name C ) 1.0  -63.2    4.3 2
assign (resid  12 and name N )(resid  12 and name CA)
       (resid  12 and name C )(resid  13 and name N ) 1.0  -39.1    6.0 2
!13S
assign (resid  12 and name C )(resid  13 and name N )
       (resid  13 and name CA)(resid  13 and name C ) 1.0  -65.3    7.0 2
assign (resid  13 and name N )(resid  13 and name CA)
       (resid  13 and name C )(resid  14 and name N ) 1.0  -40.6    7.0 2
!14L
assign (resid  13 and name C )(resid  14 and name N )
       (resid  14 and name CA)(resid  14 and name C ) 1.0  -64.1    4.4 2
assign (resid  14 and name N )(resid  14 and name CA)
       (resid  14 and name C )(resid  15 and name N ) 1.0  -41.9    5.8 2
!15T
assign (resid  14 and name C )(resid  15 and name N )
       (resid  15 and name CA)(resid  15 and name C ) 1.0  -61.0    7.1 2
assign (resid  15 and name N )(resid  15 and name CA)
       (resid  15 and name C )(resid  16 and name N ) 1.0  -46.1    4.5 2
!16V
assign (resid  15 and name C )(resid  16 and name N )
       (resid  16 and name CA)(resid  16 and name C ) 1.0  -62.4    6.9 2
assign (resid  16 and name N )(resid  16 and name CA)
       (resid  16 and name C )(resid  17 and name N ) 1.0  -45.6    3.0 2
!17T
assign (resid  16 and name C )(resid  17 and name N )
       (resid  17 and name CA)(resid  17 and name C ) 1.0  -64.8    4.0 2
assign (resid  17 and name N )(resid  17 and name CA)
       (resid  17 and name C )(resid  18 and name N ) 1.0  -43.8    4.1 2
!18Q
assign (resid  17 and name C )(resid  18 and name N )
       (resid  18 and name CA)(resid  18 and name C ) 1.0  -60.2    3.8 2
assign (resid  18 and name N )(resid  18 and name CA)
       (resid  18 and name C )(resid  19 and name N ) 1.0  -45.1    3.9 2
!19L
assign (resid  18 and name C )(resid  19 and name N )
       (resid  19 and name CA)(resid  19 and name C ) 1.0  -60.4    5.5 2
assign (resid  19 and name N )(resid  19 and name CA)
       (resid  19 and name C )(resid  20 and name N ) 1.0  -42.6    4.8 2
!20L
assign (resid  19 and name C )(resid  20 and name N )
       (resid  20 and name CA)(resid  20 and name C ) 1.0  -60.4    4.4 2
assign (resid  20 and name N )(resid  20 and name CA)
       (resid  20 and name C )(resid  21 and name N ) 1.0  -45.4    4.4 2
!21R
assign (resid  20 and name C )(resid  21 and name N )
       (resid  21 and name CA)(resid  21 and name C ) 1.0  -63.2    4.9 2
assign (resid  21 and name N )(resid  21 and name CA)
       (resid  21 and name C )(resid  22 and name N ) 1.0  -40.1    7.4 2
!22R
assign (resid  21 and name C )(resid  22 and name N )
       (resid  22 and name CA)(resid  22 and name C ) 1.0  -63.6    2.0 2
assign (resid  22 and name N )(resid  22 and name CA)
       (resid  22 and name C )(resid  23 and name N ) 1.0  -42.7    5.1 2
!23L
assign (resid  22 and name C )(resid  23 and name N )
       (resid  23 and name CA)(resid  23 and name C ) 1.0  -62.4    5.4 2
assign (resid  23 and name N )(resid  23 and name CA)
       (resid  23 and name C )(resid  24 and name N ) 1.0  -42.0    7.8 2
!24H
assign (resid  23 and name C )(resid  24 and name N )
       (resid  24 and name CA)(resid  24 and name C ) 1.0  -60.1    4.9 2
assign (resid  24 and name N )(resid  24 and name CA)
       (resid  24 and name C )(resid  25 and name N ) 1.0  -46.1    6.0 2
!25Q
assign (resid  24 and name C )(resid  25 and name N )
       (resid  25 and name CA)(resid  25 and name C ) 1.0  -65.7    7.7 2
assign (resid  25 and name N )(resid  25 and name CA)
       (resid  25 and name C )(resid  26 and name N ) 1.0  -40.9    5.7 2
!26W
assign (resid  25 and name C )(resid  26 and name N )
       (resid  26 and name CA)(resid  26 and name C ) 1.0  -63.7    5.5 2
assign (resid  26 and name N )(resid  26 and name CA)
       (resid  26 and name C )(resid  27 and name N ) 1.0  -36.5   10.7 2
!27I
assign (resid  26 and name C )(resid  27 and name N )
       (resid  27 and name CA)(resid  27 and name C ) 1.0  -73.6    9.8 2
assign (resid  27 and name N )(resid  27 and name CA)
       (resid  27 and name C )(resid  28 and name N ) 1.0  -40.6   11.4 2
!
end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   SER   1           H1       SER   1 -22.393  -1.577  -5.205
    2    H2   SER   1           H2       SER   1 -23.131  -0.068  -4.947
    3    H3   SER   1           H3       SER   1 -23.874  -1.488  -4.383
    4    HA   SER   1           HA       SER   1 -22.829  -0.313  -2.541
    5    HB2  SER   1           HB2      SER   1 -21.503  -2.883  -3.467
    6    HB3  SER   1           HB3      SER   1 -21.491  -2.288  -1.809
    7    HG   SER   1           HG       SER   1 -23.183  -3.812  -2.245
    8    H    ASP   2           H        ASP   2 -21.524   1.502  -2.659
    9    HA   ASP   2           HA       ASP   2 -18.828   1.225  -3.929
   10    HB2  ASP   2           HB2      ASP   2 -18.969   3.587  -4.302
   11    HB3  ASP   2           HB3      ASP   2 -20.562   2.945  -4.693
   12    H    ALA   3           H        ALA   3 -20.487   2.106  -0.912
   13    HA   ALA   3           HA       ALA   3 -18.309   3.250   0.521
   14    HB1  ALA   3           HB1      ALA   3 -19.657   2.553   2.498
   15    HB2  ALA   3           HB2      ALA   3 -20.629   1.521   1.450
   16    HB3  ALA   3           HB3      ALA   3 -20.663   3.273   1.241
   17    H    ALA   4           H        ALA   4 -19.408  -0.173   0.441
   18    HA   ALA   4           HA       ALA   4 -17.285  -1.225   2.064
   19    HB1  ALA   4           HB1      ALA   4 -18.821  -2.582  -0.176
   20    HB2  ALA   4           HB2      ALA   4 -19.488  -2.300   1.433
   21    HB3  ALA   4           HB3      ALA   4 -18.091  -3.358   1.230
   22    H    ALA   5           H        ALA   5 -17.617  -0.783  -1.464
   23    HA   ALA   5           HA       ALA   5 -15.144  -2.060  -2.207
   24    HB1  ALA   5           HB1      ALA   5 -16.515   0.244  -3.619
   25    HB2  ALA   5           HB2      ALA   5 -17.189  -1.386  -3.625
   26    HB3  ALA   5           HB3      ALA   5 -15.608  -1.083  -4.345
   27    H    ARG   6           H        ARG   6 -15.980   1.298  -1.337
   28    HA   ARG   6           HA       ARG   6 -13.445   2.486  -1.929
   29    HB2  ARG   6           HB2      ARG   6 -15.838   3.076  -0.240
   30    HB3  ARG   6           HB3      ARG   6 -14.378   4.013   0.076
   31    HG2  ARG   6           HG2      ARG   6 -14.282   4.489  -2.422
   32    HG3  ARG   6           HG3      ARG   6 -15.902   3.797  -2.530
   33    HD2  ARG   6           HD2      ARG   6 -16.321   5.509  -0.484
   34    HD3  ARG   6           HD3      ARG   6 -15.032   6.386  -1.333
   35    HE   ARG   6           HE       ARG   6 -17.702   5.742  -2.441
   36   HH11  ARG   6          HH11      ARG   6 -15.949   8.362  -2.431
   37   HH12  ARG   6          HH12      ARG   6 -15.635   8.500  -4.129
   38   HH21  ARG   6          HH21      ARG   6 -16.661   5.257  -4.852
   39   HH22  ARG   6          HH22      ARG   6 -16.039   6.737  -5.504
   40    H    VAL   7           H        VAL   7 -14.669   0.791   0.903
   41    HA   VAL   7           HA       VAL   7 -12.464   1.308   2.678
   42    HB   VAL   7           HB       VAL   7 -14.433  -1.000   2.434
   43   HG11  VAL   7          HG11      VAL   7 -12.462  -0.260   4.609
   44   HG12  VAL   7          HG12      VAL   7 -12.628  -1.807   3.777
   45   HG13  VAL   7          HG13      VAL   7 -13.870  -1.279   4.914
   46   HG21  VAL   7          HG21      VAL   7 -14.724   0.866   4.667
   47   HG22  VAL   7          HG22      VAL   7 -15.925   0.336   3.489
   48   HG23  VAL   7          HG23      VAL   7 -14.846   1.677   3.107
   49    H    THR   8           H        THR   8 -13.110  -1.223   0.245
   50    HA   THR   8           HA       THR   8 -10.727  -2.772   0.750
   51    HB   THR   8           HB       THR   8 -12.432  -2.462  -1.743
   52    HG1  THR   8           HG1      THR   8 -13.860  -3.482  -0.620
   53   HG21  THR   8          HG21      THR   8 -10.758  -3.757  -2.589
   54   HG22  THR   8          HG22      THR   8 -11.581  -5.045  -1.708
   55   HG23  THR   8          HG23      THR   8 -10.185  -4.239  -0.991
   56    H    ALA   9           H        ALA   9 -11.493  -0.059  -1.376
   57    HA   ALA   9           HA       ALA   9  -9.060  -0.051  -2.896
   58    HB1  ALA   9           HB1      ALA   9 -10.679   2.387  -2.158
   59    HB2  ALA   9           HB2      ALA   9 -11.332   1.159  -3.244
   60    HB3  ALA   9           HB3      ALA   9  -9.867   2.038  -3.684
   61    H    ILE  10           H        ILE  10  -9.996   1.608   0.087
   62    HA   ILE  10           HA       ILE  10  -7.659   3.182   0.497
   63    HB   ILE  10           HB       ILE  10  -9.622   1.804   2.359
   64   HG12  ILE  10          HG12      ILE  10  -9.315   4.760   1.824
   65   HG13  ILE  10          HG13      ILE  10 -10.255   3.736   0.737
   66   HG21  ILE  10          HG21      ILE  10  -7.773   2.115   3.787
   67   HG22  ILE  10          HG22      ILE  10  -8.709   3.592   4.018
   68   HG23  ILE  10          HG23      ILE  10  -7.284   3.605   2.979
   69   HD11  ILE  10          HD11      ILE  10 -11.861   4.517   2.277
   70   HD12  ILE  10          HD12      ILE  10 -10.762   4.349   3.645
   71   HD13  ILE  10          HD13      ILE  10 -11.453   2.914   2.888
   72    H    LEU  11           H        LEU  11  -8.386  -0.192   1.386
   73    HA   LEU  11           HA       LEU  11  -5.906  -0.748   2.732
   74    HB2  LEU  11           HB2      LEU  11  -8.233  -1.975   2.618
   75    HB3  LEU  11           HB3      LEU  11  -7.515  -2.795   1.231
   76    HG   LEU  11           HG       LEU  11  -5.766  -2.654   3.607
   77   HD11  LEU  11          HD11      LEU  11  -6.978  -4.487   4.769
   78   HD12  LEU  11          HD12      LEU  11  -8.310  -4.307   3.627
   79   HD13  LEU  11          HD13      LEU  11  -7.915  -2.993   4.735
   80   HD21  LEU  11          HD21      LEU  11  -5.043  -4.724   2.819
   81   HD22  LEU  11          HD22      LEU  11  -5.616  -3.986   1.323
   82   HD23  LEU  11          HD23      LEU  11  -6.630  -5.149   2.178
   83    H    SER  12           H        SER  12  -6.964  -1.113  -0.629
   84    HA   SER  12           HA       SER  12  -4.707  -2.513  -1.668
   85    HB2  SER  12           HB2      SER  12  -7.001  -1.909  -2.705
   86    HB3  SER  12           HB3      SER  12  -6.263  -0.365  -3.123
   87    HG   SER  12           HG       SER  12  -6.137  -2.189  -4.700
   88    H    SER  13           H        SER  13  -5.307   1.005  -1.367
   89    HA   SER  13           HA       SER  13  -2.865   1.899  -2.569
   90    HB2  SER  13           HB2      SER  13  -4.574   3.138  -0.386
   91    HB3  SER  13           HB3      SER  13  -3.430   4.005  -1.406
   92    HG   SER  13           HG       SER  13  -4.808   3.923  -3.017
   93    H    LEU  14           H        LEU  14  -3.698   1.043   0.792
   94    HA   LEU  14           HA       LEU  14  -1.272   1.855   2.063
   95    HB2  LEU  14           HB2      LEU  14  -3.672   0.360   2.626
   96    HB3  LEU  14           HB3      LEU  14  -2.287  -0.527   3.263
   97    HG   LEU  14           HG       LEU  14  -1.513   1.661   4.308
   98   HD11  LEU  14          HD11      LEU  14  -4.244   2.449   3.289
   99   HD12  LEU  14          HD12      LEU  14  -2.718   3.318   3.127
  100   HD13  LEU  14          HD13      LEU  14  -3.529   3.246   4.691
  101   HD21  LEU  14          HD21      LEU  14  -2.965   1.399   6.227
  102   HD22  LEU  14          HD22      LEU  14  -2.723  -0.198   5.520
  103   HD23  LEU  14          HD23      LEU  14  -4.229   0.673   5.233
  104    H    THR  15           H        THR  15  -2.191  -1.223   0.491
  105    HA   THR  15           HA       THR  15   0.143  -2.744   1.065
  106    HB   THR  15           HB       THR  15  -1.476  -2.753  -1.505
  107    HG1  THR  15           HG1      THR  15  -3.097  -3.135  -0.242
  108   HG21  THR  15          HG21      THR  15   0.445  -4.251  -1.522
  109   HG22  THR  15          HG22      THR  15  -1.032  -5.203  -1.373
  110   HG23  THR  15          HG23      THR  15  -0.022  -4.914   0.044
  111    H    VAL  16           H        VAL  16  -0.556  -0.478  -1.607
  112    HA   VAL  16           HA       VAL  16   1.898  -0.813  -3.051
  113    HB   VAL  16           HB       VAL  16  -0.000   1.545  -2.751
  114   HG11  VAL  16          HG11      VAL  16   2.019   2.402  -3.705
  115   HG12  VAL  16          HG12      VAL  16   0.928   2.122  -5.061
  116   HG13  VAL  16          HG13      VAL  16   2.226   0.976  -4.723
  117   HG21  VAL  16          HG21      VAL  16   0.044  -0.945  -4.410
  118   HG22  VAL  16          HG22      VAL  16  -0.568   0.530  -5.159
  119   HG23  VAL  16          HG23      VAL  16  -1.329  -0.099  -3.698
  120    H    THR  17           H        THR  17   0.968   1.464  -0.440
  121    HA   THR  17           HA       THR  17   3.378   2.993  -0.363
  122    HB   THR  17           HB       THR  17   1.622   2.201   1.981
  123    HG1  THR  17           HG1      THR  17   1.212   4.135  -0.052
  124   HG21  THR  17          HG21      THR  17   2.151   4.531   2.710
  125   HG22  THR  17          HG22      THR  17   3.238   4.679   1.329
  126   HG23  THR  17          HG23      THR  17   3.580   3.504   2.598
  127    H    GLN  18           H        GLN  18   2.500  -0.072   1.245
  128    HA   GLN  18           HA       GLN  18   4.847  -0.319   2.868
  129    HB2  GLN  18           HB2      GLN  18   2.734  -2.132   1.751
  130    HB3  GLN  18           HB3      GLN  18   4.119  -2.843   2.577
  131    HG2  GLN  18           HG2      GLN  18   3.611  -1.746   4.616
  132    HG3  GLN  18           HG3      GLN  18   2.518  -0.609   3.826
  133   HE21  GLN  18          HE21      GLN  18   2.702  -3.707   5.376
  134   HE22  GLN  18          HE22      GLN  18   1.097  -4.178   5.089
  135    H    LEU  19           H        LEU  19   4.087  -1.583  -0.352
  136    HA   LEU  19           HA       LEU  19   6.500  -2.999  -0.857
  137    HB2  LEU  19           HB2      LEU  19   4.228  -1.879  -2.336
  138    HB3  LEU  19           HB3      LEU  19   5.713  -1.877  -3.288
  139    HG   LEU  19           HG       LEU  19   5.923  -4.342  -2.277
  140   HD11  LEU  19          HD11      LEU  19   3.781  -5.419  -2.016
  141   HD12  LEU  19          HD12      LEU  19   2.925  -3.956  -2.504
  142   HD13  LEU  19          HD13      LEU  19   3.785  -4.003  -0.964
  143   HD21  LEU  19          HD21      LEU  19   5.905  -3.857  -4.658
  144   HD22  LEU  19          HD22      LEU  19   4.180  -3.499  -4.613
  145   HD23  LEU  19          HD23      LEU  19   4.743  -5.148  -4.348
  146    H    LEU  20           H        LEU  20   5.703   0.448  -1.255
  147    HA   LEU  20           HA       LEU  20   8.171   1.254  -2.506
  148    HB2  LEU  20           HB2      LEU  20   6.012   2.622  -0.883
  149    HB3  LEU  20           HB3      LEU  20   7.385   3.516  -1.538
  150    HG   LEU  20           HG       LEU  20   5.786   1.719  -3.343
  151   HD11  LEU  20          HD11      LEU  20   4.277   3.336  -2.018
  152   HD12  LEU  20          HD12      LEU  20   4.176   3.406  -3.777
  153   HD13  LEU  20          HD13      LEU  20   5.096   4.627  -2.897
  154   HD21  LEU  20          HD21      LEU  20   6.576   3.279  -5.038
  155   HD22  LEU  20          HD22      LEU  20   7.952   2.773  -4.057
  156   HD23  LEU  20          HD23      LEU  20   7.218   4.357  -3.799
  157    H    ARG  21           H        ARG  21   7.111   1.063   0.910
  158    HA   ARG  21           HA       ARG  21   9.425   2.268   2.099
  159    HB2  ARG  21           HB2      ARG  21   7.250   0.366   2.927
  160    HB3  ARG  21           HB3      ARG  21   8.600   0.644   4.028
  161    HG2  ARG  21           HG2      ARG  21   8.118   3.184   3.511
  162    HG3  ARG  21           HG3      ARG  21   6.524   2.582   3.050
  163    HD2  ARG  21           HD2      ARG  21   5.962   2.575   5.246
  164    HD3  ARG  21           HD3      ARG  21   7.177   1.309   5.509
  165    HE   ARG  21           HE       ARG  21   8.022   4.176   5.443
  166   HH11  ARG  21          HH21      ARG  21   6.794   3.176   8.044
  167   HH12  ARG  21          HH22      ARG  21   8.206   2.691   8.923
  168   HH21  ARG  21          HH11      ARG  21  10.263   2.666   6.121
  169   HH22  ARG  21          HH12      ARG  21  10.176   2.403   7.830
  170    H    ARG  22           H        ARG  22   8.701  -1.122   1.226
  171    HA   ARG  22           HA       ARG  22  11.100  -2.292   2.302
  172    HB2  ARG  22           HB2      ARG  22   8.763  -3.046   0.853
  173    HB3  ARG  22           HB3      ARG  22  10.149  -3.643  -0.060
  174    HG2  ARG  22           HG2      ARG  22  11.034  -4.724   1.969
  175    HG3  ARG  22           HG3      ARG  22   9.659  -4.120   2.896
  176    HD2  ARG  22           HD2      ARG  22   8.171  -5.614   1.923
  177    HD3  ARG  22           HD3      ARG  22   9.096  -5.709   0.412
  178    HE   ARG  22           HE       ARG  22  10.651  -7.218   1.494
  179   HH11  ARG  22          HH21      ARG  22   8.171  -8.582   2.326
  180   HH12  ARG  22          HH22      ARG  22   8.354  -8.718   4.042
  181   HH21  ARG  22          HH11      ARG  22  10.864  -6.318   4.226
  182   HH22  ARG  22          HH12      ARG  22   9.885  -7.432   5.123
  183    H    LEU  23           H        LEU  23  10.294  -0.965  -0.915
  184    HA   LEU  23           HA       LEU  23  12.735  -1.638  -2.249
  185    HB2  LEU  23           HB2      LEU  23  10.460  -0.730  -3.113
  186    HB3  LEU  23           HB3      LEU  23  11.105   0.865  -2.721
  187    HG   LEU  23           HG       LEU  23  13.153   0.220  -4.117
  188   HD11  LEU  23          HD11      LEU  23  12.715  -1.546  -5.824
  189   HD12  LEU  23          HD12      LEU  23  11.222  -1.955  -4.981
  190   HD13  LEU  23          HD13      LEU  23  12.777  -2.194  -4.185
  191   HD21  LEU  23          HD21      LEU  23  11.408   1.776  -4.916
  192   HD22  LEU  23          HD22      LEU  23  10.452   0.409  -5.491
  193   HD23  LEU  23          HD23      LEU  23  12.008   0.772  -6.237
  194    H    HIS  24           H        HIS  24  11.775   1.318  -0.462
  195    HA   HIS  24           HA       HIS  24  14.249   2.740  -0.824
  196    HB2  HIS  24           HB2      HIS  24  11.981   3.619  -0.094
  197    HB3  HIS  24           HB3      HIS  24  12.288   2.899   1.487
  198    HD1  HIS  24           HD1      HIS  24  14.029   4.032   3.005
  199    HD2  HIS  24           HD2      HIS  24  13.674   5.860  -0.725
  200    HE1  HIS  24           HE1      HIS  24  15.310   6.213   3.150
  201    H    GLN  25           H        GLN  25  13.097   0.497   1.703
  202    HA   GLN  25           HA       GLN  25  15.246   0.756   3.555
  203    HB2  GLN  25           HB2      GLN  25  13.023  -0.458   3.781
  204    HB3  GLN  25           HB3      GLN  25  13.718  -1.761   2.816
  205    HG2  GLN  25           HG2      GLN  25  15.624  -1.182   4.819
  206    HG3  GLN  25           HG3      GLN  25  14.059  -1.213   5.633
  207   HE21  GLN  25          HE21      GLN  25  16.542  -3.206   4.324
  208   HE22  GLN  25          HE22      GLN  25  15.706  -4.682   4.405
  209    H    TRP  26           H        TRP  26  14.942  -1.189   0.591
  210    HA   TRP  26           HA       TRP  26  17.430  -2.650   0.928
  211    HB2  TRP  26           HB2      TRP  26  15.358  -3.210  -0.479
  212    HB3  TRP  26           HB3      TRP  26  15.945  -2.015  -1.637
  213    HD1  TRP  26           HD1      TRP  26  16.736  -5.448  -0.194
  214    HE1  TRP  26           HE1      TRP  26  18.534  -6.576  -1.657
  215    HE3  TRP  26           HE3      TRP  26  17.952  -1.550  -3.261
  216    HZ2  TRP  26           HZ2      TRP  26  20.259  -5.913  -3.841
  217    HZ3  TRP  26           HZ3      TRP  26  19.674  -1.826  -5.022
  218    HH2  TRP  26           HH2      TRP  26  20.829  -4.001  -5.315
  219    H    ILE  27           H        ILE  27  16.490   0.352  -0.747
  220    HA   ILE  27           HA       ILE  27  19.085   0.769  -2.007
  221    HB   ILE  27           HB       ILE  27  16.682   2.544  -1.457
  222   HG12  ILE  27          HG12      ILE  27  17.538   1.466  -4.134
  223   HG13  ILE  27          HG13      ILE  27  16.627   0.436  -3.032
  224   HG21  ILE  27          HG21      ILE  27  19.147   3.020  -3.160
  225   HG22  ILE  27          HG22      ILE  27  18.607   3.980  -1.781
  226   HG23  ILE  27          HG23      ILE  27  17.673   3.982  -3.277
  227   HD11  ILE  27          HD11      ILE  27  15.766   2.913  -4.459
  228   HD12  ILE  27          HD12      ILE  27  15.095   2.619  -2.854
  229   HD13  ILE  27          HD13      ILE  27  14.865   1.432  -4.138
  230    H    SER  28           H        SER  28  17.451   2.131   0.880
  231    HA   SER  28           HA       SER  28  20.134   3.091   1.826
  232    HB2  SER  28           HB2      SER  28  17.418   4.429   1.831
  233    HB3  SER  28           HB3      SER  28  18.757   5.008   2.817
  234    HG   SER  28           HG       SER  28  19.925   5.398   0.969
  Start of MODEL    2
    1    H1   SER   1           H1       SER   1 -20.132   4.765  -4.325
    2    H2   SER   1           H2       SER   1 -20.143   5.299  -2.712
    3    H3   SER   1           H3       SER   1 -21.386   5.766  -3.772
    4    HA   SER   1           HA       SER   1 -22.224   4.036  -2.331
    5    HB2  SER   1           HB2      SER   1 -22.890   2.507  -4.168
    6    HB3  SER   1           HB3      SER   1 -22.928   4.186  -4.694
    7    HG   SER   1           HG       SER   1 -21.260   2.100  -5.439
    8    H    ASP   2           H        ASP   2 -22.123   1.486  -2.193
    9    HA   ASP   2           HA       ASP   2 -20.948  -0.379  -1.362
   10    HB2  ASP   2           HB2      ASP   2 -18.983   0.672  -3.428
   11    HB3  ASP   2           HB3      ASP   2 -18.974  -0.957  -2.757
   12    H    ALA   3           H        ALA   3 -20.686   0.794   0.736
   13    HA   ALA   3           HA       ALA   3 -18.355   2.348   1.388
   14    HB1  ALA   3           HB1      ALA   3 -19.117   1.926   3.698
   15    HB2  ALA   3           HB2      ALA   3 -20.161   0.627   3.121
   16    HB3  ALA   3           HB3      ALA   3 -20.489   2.296   2.653
   17    H    ALA   4           H        ALA   4 -19.090  -1.138   1.823
   18    HA   ALA   4           HA       ALA   4 -16.666  -1.877   3.143
   19    HB1  ALA   4           HB1      ALA   4 -18.703  -3.267   2.969
   20    HB2  ALA   4           HB2      ALA   4 -17.301  -4.145   2.359
   21    HB3  ALA   4           HB3      ALA   4 -18.450  -3.426   1.231
   22    H    ALA   5           H        ALA   5 -17.490  -1.733  -0.337
   23    HA   ALA   5           HA       ALA   5 -14.995  -2.770  -1.324
   24    HB1  ALA   5           HB1      ALA   5 -15.779  -1.727  -3.438
   25    HB2  ALA   5           HB2      ALA   5 -16.990  -0.820  -2.533
   26    HB3  ALA   5           HB3      ALA   5 -17.094  -2.578  -2.626
   27    H    ARG   6           H        ARG   6 -16.074   0.518  -0.468
   28    HA   ARG   6           HA       ARG   6 -13.802   1.941  -1.473
   29    HB2  ARG   6           HB2      ARG   6 -16.188   2.441  -0.032
   30    HB3  ARG   6           HB3      ARG   6 -14.878   3.060   0.973
   31    HG2  ARG   6           HG2      ARG   6 -15.443   4.876  -0.438
   32    HG3  ARG   6           HG3      ARG   6 -14.000   4.181  -1.178
   33    HD2  ARG   6           HD2      ARG   6 -15.356   2.976  -2.814
   34    HD3  ARG   6           HD3      ARG   6 -16.847   3.524  -2.023
   35    HE   ARG   6           HE       ARG   6 -16.501   5.686  -2.951
   36   HH11  ARG   6          HH21      ARG   6 -15.306   4.412  -5.329
   37   HH12  ARG   6          HH22      ARG   6 -13.757   5.177  -5.447
   38   HH21  ARG   6          HH11      ARG   6 -13.806   6.369  -2.180
   39   HH22  ARG   6          HH12      ARG   6 -12.902   6.288  -3.655
   40    H    VAL   7           H        VAL   7 -14.416   0.270   1.560
   41    HA   VAL   7           HA       VAL   7 -12.053   1.083   2.982
   42    HB   VAL   7           HB       VAL   7 -13.723  -1.461   3.089
   43   HG11  VAL   7          HG11      VAL   7 -11.726  -0.275   5.038
   44   HG12  VAL   7          HG12      VAL   7 -11.623  -1.839   4.230
   45   HG13  VAL   7          HG13      VAL   7 -12.859  -1.561   5.456
   46   HG21  VAL   7          HG21      VAL   7 -14.068   0.466   5.246
   47   HG22  VAL   7          HG22      VAL   7 -15.284  -0.258   4.194
   48   HG23  VAL   7          HG23      VAL   7 -14.424   1.192   3.678
   49    H    THR   8           H        THR   8 -12.752  -1.601   0.734
   50    HA   THR   8           HA       THR   8 -10.186  -2.892   0.940
   51    HB   THR   8           HB       THR   8 -12.100  -2.838  -1.409
   52    HG1  THR   8           HG1      THR   8 -12.174  -4.346   0.994
   53   HG21  THR   8          HG21      THR   8 -10.208  -4.961  -0.356
   54   HG22  THR   8          HG22      THR   8  -9.965  -3.991  -1.809
   55   HG23  THR   8          HG23      THR   8 -11.292  -5.151  -1.735
   56    H    ALA   9           H        ALA   9 -11.455  -0.318  -1.117
   57    HA   ALA   9           HA       ALA   9  -9.234  -0.146  -2.932
   58    HB1  ALA   9           HB1      ALA   9 -10.256   2.338  -2.969
   59    HB2  ALA   9           HB2      ALA   9 -11.548   1.535  -2.077
   60    HB3  ALA   9           HB3      ALA   9 -11.113   0.976  -3.692
   61    H    ILE  10           H        ILE  10  -9.932   1.460   0.140
   62    HA   ILE  10           HA       ILE  10  -7.721   3.264   0.211
   63    HB   ILE  10           HB       ILE  10  -9.293   1.773   2.338
   64   HG12  ILE  10          HG12      ILE  10 -10.546   3.410   0.975
   65   HG13  ILE  10          HG13      ILE  10 -10.383   3.971   2.637
   66   HG21  ILE  10          HG21      ILE  10  -7.323   2.308   3.507
   67   HG22  ILE  10          HG22      ILE  10  -8.362   3.697   3.824
   68   HG23  ILE  10          HG23      ILE  10  -7.086   3.807   2.611
   69   HD11  ILE  10          HD11      ILE  10  -9.015   4.972   0.158
   70   HD12  ILE  10          HD12      ILE  10  -8.215   5.157   1.719
   71   HD13  ILE  10          HD13      ILE  10  -9.796   5.888   1.446
   72    H    LEU  11           H        LEU  11  -8.022  -0.142   1.219
   73    HA   LEU  11           HA       LEU  11  -5.356  -0.440   2.256
   74    HB2  LEU  11           HB2      LEU  11  -7.676  -2.112   1.509
   75    HB3  LEU  11           HB3      LEU  11  -6.120  -2.936   1.425
   76    HG   LEU  11           HG       LEU  11  -5.771  -1.746   3.787
   77   HD11  LEU  11          HD11      LEU  11  -7.945  -0.566   3.695
   78   HD12  LEU  11          HD12      LEU  11  -7.884  -1.692   5.050
   79   HD13  LEU  11          HD13      LEU  11  -8.777  -2.117   3.590
   80   HD21  LEU  11          HD21      LEU  11  -5.659  -4.155   3.448
   81   HD22  LEU  11          HD22      LEU  11  -7.413  -4.249   3.280
   82   HD23  LEU  11          HD23      LEU  11  -6.697  -3.831   4.837
   83    H    SER  12           H        SER  12  -6.765  -0.891  -0.957
   84    HA   SER  12           HA       SER  12  -4.557  -2.129  -2.267
   85    HB2  SER  12           HB2      SER  12  -7.058  -1.457  -2.951
   86    HB3  SER  12           HB3      SER  12  -6.227  -0.084  -3.677
   87    HG   SER  12           HG       SER  12  -6.494  -2.427  -4.722
   88    H    SER  13           H        SER  13  -5.347   1.347  -1.874
   89    HA   SER  13           HA       SER  13  -3.055   2.372  -3.283
   90    HB2  SER  13           HB2      SER  13  -5.118   3.336  -1.352
   91    HB3  SER  13           HB3      SER  13  -3.669   4.324  -1.517
   92    HG   SER  13           HG       SER  13  -5.612   4.582  -3.032
   93    H    LEU  14           H        LEU  14  -3.623   1.468   0.112
   94    HA   LEU  14           HA       LEU  14  -1.176   2.439   1.233
   95    HB2  LEU  14           HB2      LEU  14  -3.297   0.437   1.878
   96    HB3  LEU  14           HB3      LEU  14  -1.790   0.317   2.780
   97    HG   LEU  14           HG       LEU  14  -3.324   2.910   2.484
   98   HD11  LEU  14          HD11      LEU  14  -3.507   0.724   4.563
   99   HD12  LEU  14          HD12      LEU  14  -4.819   1.502   3.677
  100   HD13  LEU  14          HD13      LEU  14  -3.951   2.391   4.928
  101   HD21  LEU  14          HD21      LEU  14  -1.944   3.551   4.445
  102   HD22  LEU  14          HD22      LEU  14  -0.935   3.111   3.066
  103   HD23  LEU  14          HD23      LEU  14  -1.155   1.974   4.397
  104    H    THR  15           H        THR  15  -2.001  -0.615  -0.407
  105    HA   THR  15           HA       THR  15   0.380  -2.087   0.130
  106    HB   THR  15           HB       THR  15  -1.376  -2.037  -2.356
  107    HG1  THR  15           HG1      THR  15  -2.787  -2.630  -0.905
  108   HG21  THR  15          HG21      THR  15   0.260  -4.309  -1.201
  109   HG22  THR  15          HG22      THR  15   0.804  -3.290  -2.534
  110   HG23  THR  15          HG23      THR  15  -0.628  -4.302  -2.724
  111    H    VAL  16           H        VAL  16  -0.398   0.211  -2.505
  112    HA   VAL  16           HA       VAL  16   2.066   0.003  -3.948
  113    HB   VAL  16           HB       VAL  16   0.077   2.272  -3.549
  114   HG11  VAL  16          HG11      VAL  16   1.047   3.026  -5.808
  115   HG12  VAL  16          HG12      VAL  16   2.408   1.962  -5.453
  116   HG13  VAL  16          HG13      VAL  16   2.047   3.318  -4.384
  117   HG21  VAL  16          HG21      VAL  16  -0.709   1.508  -5.805
  118   HG22  VAL  16          HG22      VAL  16  -0.912   0.283  -4.554
  119   HG23  VAL  16          HG23      VAL  16   0.421   0.158  -5.703
  120    H    THR  17           H        THR  17   1.052   2.269  -1.359
  121    HA   THR  17           HA       THR  17   3.524   3.705  -1.142
  122    HB   THR  17           HB       THR  17   1.591   3.086   1.108
  123    HG1  THR  17           HG1      THR  17   1.294   4.895  -1.059
  124   HG21  THR  17          HG21      THR  17   2.316   5.067   2.053
  125   HG22  THR  17          HG22      THR  17   2.741   5.778   0.497
  126   HG23  THR  17          HG23      THR  17   3.792   4.567   1.229
  127    H    GLN  18           H        GLN  18   2.342   0.733   0.442
  128    HA   GLN  18           HA       GLN  18   4.519   0.389   2.274
  129    HB2  GLN  18           HB2      GLN  18   2.365  -1.270   1.035
  130    HB3  GLN  18           HB3      GLN  18   3.679  -2.123   1.844
  131    HG2  GLN  18           HG2      GLN  18   3.221  -1.086   3.928
  132    HG3  GLN  18           HG3      GLN  18   2.223   0.161   3.179
  133   HE21  GLN  18          HE21      GLN  18  -0.006  -0.245   3.116
  134   HE22  GLN  18          HE22      GLN  18  -0.718  -1.759   3.407
  135    H    LEU  19           H        LEU  19   3.990  -0.827  -1.009
  136    HA   LEU  19           HA       LEU  19   6.316  -2.414  -1.326
  137    HB2  LEU  19           HB2      LEU  19   4.320  -1.035  -2.980
  138    HB3  LEU  19           HB3      LEU  19   5.887  -1.146  -3.776
  139    HG   LEU  19           HG       LEU  19   4.369  -3.105  -4.223
  140   HD11  LEU  19          HD11      LEU  19   6.813  -3.959  -2.668
  141   HD12  LEU  19          HD12      LEU  19   6.939  -3.150  -4.229
  142   HD13  LEU  19          HD13      LEU  19   6.118  -4.705  -4.106
  143   HD21  LEU  19          HD21      LEU  19   4.984  -3.980  -1.403
  144   HD22  LEU  19          HD22      LEU  19   3.776  -4.619  -2.516
  145   HD23  LEU  19          HD23      LEU  19   3.532  -3.046  -1.758
  146    H    LEU  20           H        LEU  20   5.878   1.107  -1.628
  147    HA   LEU  20           HA       LEU  20   8.521   1.718  -2.611
  148    HB2  LEU  20           HB2      LEU  20   6.311   3.204  -1.181
  149    HB3  LEU  20           HB3      LEU  20   7.837   4.004  -1.555
  150    HG   LEU  20           HG       LEU  20   6.624   2.487  -3.793
  151   HD11  LEU  20          HD11      LEU  20   5.436   5.150  -2.980
  152   HD12  LEU  20          HD12      LEU  20   4.678   3.610  -2.573
  153   HD13  LEU  20          HD13      LEU  20   4.893   4.068  -4.262
  154   HD21  LEU  20          HD21      LEU  20   8.564   3.753  -4.294
  155   HD22  LEU  20          HD22      LEU  20   8.008   5.138  -3.355
  156   HD23  LEU  20          HD23      LEU  20   7.239   4.750  -4.894
  157    H    ARG  21           H        ARG  21   7.116   1.603   0.694
  158    HA   ARG  21           HA       ARG  21   9.546   2.416   2.044
  159    HB2  ARG  21           HB2      ARG  21   6.832   1.633   2.648
  160    HB3  ARG  21           HB3      ARG  21   7.938   0.784   3.727
  161    HG2  ARG  21           HG2      ARG  21   7.891   2.701   4.945
  162    HG3  ARG  21           HG3      ARG  21   9.018   3.304   3.731
  163    HD2  ARG  21           HD2      ARG  21   7.498   4.816   2.999
  164    HD3  ARG  21           HD3      ARG  21   6.281   3.545   2.774
  165    HE   ARG  21           HE       ARG  21   6.373   5.333   5.013
  166   HH11  ARG  21          HH11      ARG  21   4.625   2.803   3.839
  167   HH12  ARG  21          HH12      ARG  21   4.230   2.091   5.366
  168   HH21  ARG  21          HH21      ARG  21   6.455   4.066   7.163
  169   HH22  ARG  21          HH22      ARG  21   5.269   2.805   7.253
  170    H    ARG  22           H        ARG  22   8.145  -0.755   1.197
  171    HA   ARG  22           HA       ARG  22  10.019  -2.419   2.578
  172    HB2  ARG  22           HB2      ARG  22   8.014  -2.613   0.415
  173    HB3  ARG  22           HB3      ARG  22   9.299  -3.816   0.313
  174    HG2  ARG  22           HG2      ARG  22   8.007  -4.976   1.786
  175    HG3  ARG  22           HG3      ARG  22   8.732  -3.903   2.983
  176    HD2  ARG  22           HD2      ARG  22   6.808  -2.643   3.218
  177    HD3  ARG  22           HD3      ARG  22   6.313  -2.897   1.533
  178    HE   ARG  22           HE       ARG  22   6.154  -5.054   3.611
  179   HH11  ARG  22          HH11      ARG  22   5.855  -5.772   0.686
  180   HH12  ARG  22          HH12      ARG  22   4.134  -5.758   0.497
  181   HH21  ARG  22          HH21      ARG  22   3.562  -3.989   3.433
  182   HH22  ARG  22          HH22      ARG  22   2.833  -4.738   2.054
  183    H    LEU  23           H        LEU  23  10.089  -0.988  -0.691
  184    HA   LEU  23           HA       LEU  23  12.546  -2.237  -1.548
  185    HB2  LEU  23           HB2      LEU  23  10.675  -1.089  -2.891
  186    HB3  LEU  23           HB3      LEU  23  11.423   0.439  -2.424
  187    HG   LEU  23           HG       LEU  23  13.623  -0.629  -3.329
  188   HD11  LEU  23          HD11      LEU  23  13.090  -2.214  -5.247
  189   HD12  LEU  23          HD12      LEU  23  11.479  -2.385  -4.550
  190   HD13  LEU  23          HD13      LEU  23  12.895  -2.897  -3.632
  191   HD21  LEU  23          HD21      LEU  23  11.321   0.233  -5.106
  192   HD22  LEU  23          HD22      LEU  23  12.985   0.079  -5.668
  193   HD23  LEU  23          HD23      LEU  23  12.581   1.262  -4.425
  194    H    HIS  24           H        HIS  24  11.811   0.888   0.025
  195    HA   HIS  24           HA       HIS  24  14.452   1.993  -0.043
  196    HB2  HIS  24           HB2      HIS  24  12.114   2.992   0.554
  197    HB3  HIS  24           HB3      HIS  24  12.457   2.411   2.184
  198    HD1  HIS  24           HD1      HIS  24  12.282   5.371   1.999
  199    HD2  HIS  24           HD2      HIS  24  15.845   3.366   1.180
  200    HE1  HIS  24           HE1      HIS  24  14.143   7.064   2.295
  201    H    GLN  25           H        GLN  25  12.824  -0.105   2.351
  202    HA   GLN  25           HA       GLN  25  14.872  -0.081   4.352
  203    HB2  GLN  25           HB2      GLN  25  12.365  -1.228   3.926
  204    HB3  GLN  25           HB3      GLN  25  13.443  -2.620   4.016
  205    HG2  GLN  25           HG2      GLN  25  13.863  -0.487   6.048
  206    HG3  GLN  25           HG3      GLN  25  12.395  -1.451   6.211
  207   HE21  GLN  25          HE21      GLN  25  12.618  -3.699   6.791
  208   HE22  GLN  25          HE22      GLN  25  14.112  -4.382   7.221
  209    H    TRP  26           H        TRP  26  14.422  -2.082   1.441
  210    HA   TRP  26           HA       TRP  26  16.614  -3.898   1.973
  211    HB2  TRP  26           HB2      TRP  26  14.927  -3.092  -0.391
  212    HB3  TRP  26           HB3      TRP  26  16.300  -4.173  -0.620
  213    HD1  TRP  26           HD1      TRP  26  15.937  -5.676   2.247
  214    HE1  TRP  26           HE1      TRP  26  14.046  -7.414   2.468
  215    HE3  TRP  26           HE3      TRP  26  12.939  -4.217  -1.624
  216    HZ2  TRP  26           HZ2      TRP  26  11.589  -8.097   1.174
  217    HZ3  TRP  26           HZ3      TRP  26  10.833  -5.430  -2.106
  218    HH2  TRP  26           HH2      TRP  26  10.155  -7.366  -0.714
  219    H    ILE  27           H        ILE  27  16.366  -0.721   0.437
  220    HA   ILE  27           HA       ILE  27  19.091  -0.822  -0.674
  221    HB   ILE  27           HB       ILE  27  16.998   1.363  -0.381
  222   HG12  ILE  27          HG12      ILE  27  17.850   0.060  -2.955
  223   HG13  ILE  27          HG13      ILE  27  16.693  -0.765  -1.910
  224   HG21  ILE  27          HG21      ILE  27  19.233   2.351  -0.558
  225   HG22  ILE  27          HG22      ILE  27  18.361   2.575  -2.075
  226   HG23  ILE  27          HG23      ILE  27  19.599   1.324  -1.945
  227   HD11  ILE  27          HD11      ILE  27  16.410   1.885  -3.309
  228   HD12  ILE  27          HD12      ILE  27  15.447   1.524  -1.877
  229   HD13  ILE  27          HD13      ILE  27  15.307   0.511  -3.313
  230    H    SER  28           H        SER  28  17.430   1.102   1.867
  231    HA   SER  28           HA       SER  28  18.276   2.233   3.750
  232    HB2  SER  28           HB2      SER  28  20.095  -0.157   3.408
  233    HB3  SER  28           HB3      SER  28  20.261   0.936   4.778
  234    HG   SER  28           HG       SER  28  18.055  -0.677   4.033
  Start of MODEL    3
    1    H1   SER   1           H1       SER   1 -22.241   1.694   1.385
    2    H2   SER   1           H2       SER   1 -23.698   1.032   0.817
    3    H3   SER   1           H3       SER   1 -23.184   2.555   0.267
    4    HA   SER   1           HA       SER   1 -21.927  -0.082  -0.319
    5    HB2  SER   1           HB2      SER   1 -23.239   2.047  -2.040
    6    HB3  SER   1           HB3      SER   1 -22.639   0.488  -2.597
    7    HG   SER   1           HG       SER   1 -24.789   0.208  -2.229
    8    H    ASP   2           H        ASP   2 -21.779   3.427  -1.111
    9    HA   ASP   2           HA       ASP   2 -19.219   3.423  -2.339
   10    HB2  ASP   2           HB2      ASP   2 -20.797   5.487  -0.782
   11    HB3  ASP   2           HB3      ASP   2 -19.301   5.881  -1.627
   12    H    ALA   3           H        ALA   3 -20.094   3.908   1.103
   13    HA   ALA   3           HA       ALA   3 -17.492   4.488   2.111
   14    HB1  ALA   3           HB1      ALA   3 -19.606   4.760   3.352
   15    HB2  ALA   3           HB2      ALA   3 -18.496   3.731   4.258
   16    HB3  ALA   3           HB3      ALA   3 -19.834   3.011   3.362
   17    H    ALA   4           H        ALA   4 -19.150   1.355   1.624
   18    HA   ALA   4           HA       ALA   4 -17.081  -0.308   2.733
   19    HB1  ALA   4           HB1      ALA   4 -19.475  -0.919   2.264
   20    HB2  ALA   4           HB2      ALA   4 -18.323  -2.083   1.608
   21    HB3  ALA   4           HB3      ALA   4 -19.095  -0.910   0.542
   22    H    ALA   5           H        ALA   5 -17.710   0.880  -0.579
   23    HA   ALA   5           HA       ALA   5 -15.651  -0.600  -1.911
   24    HB1  ALA   5           HB1      ALA   5 -16.843   2.135  -2.494
   25    HB2  ALA   5           HB2      ALA   5 -17.533   0.593  -3.000
   26    HB3  ALA   5           HB3      ALA   5 -15.987   1.126  -3.659
   27    H    ARG   6           H        ARG   6 -15.593   2.614  -0.322
   28    HA   ARG   6           HA       ARG   6 -12.905   3.264  -1.071
   29    HB2  ARG   6           HB2      ARG   6 -13.268   5.130   0.251
   30    HB3  ARG   6           HB3      ARG   6 -14.935   4.596   0.074
   31    HG2  ARG   6           HG2      ARG   6 -14.846   4.838   2.371
   32    HG3  ARG   6           HG3      ARG   6 -14.330   3.159   2.238
   33    HD2  ARG   6           HD2      ARG   6 -12.600   3.961   3.560
   34    HD3  ARG   6           HD3      ARG   6 -11.922   4.358   1.968
   35    HE   ARG   6           HE       ARG   6 -12.837   6.647   2.238
   36   HH11  ARG   6          HH11      ARG   6 -14.781   5.697   4.461
   37   HH12  ARG   6          HH12      ARG   6 -14.079   6.475   5.842
   38   HH21  ARG   6          HH21      ARG   6 -11.070   7.169   4.239
   39   HH22  ARG   6          HH22      ARG   6 -11.965   7.310   5.715
   40    H    VAL   7           H        VAL   7 -14.243   1.336   1.535
   41    HA   VAL   7           HA       VAL   7 -11.844   1.027   3.102
   42    HB   VAL   7           HB       VAL   7 -14.267  -0.767   2.675
   43   HG11  VAL   7          HG11      VAL   7 -12.133  -0.788   4.831
   44   HG12  VAL   7          HG12      VAL   7 -12.442  -2.058   3.647
   45   HG13  VAL   7          HG13      VAL   7 -13.632  -1.713   4.902
   46   HG21  VAL   7          HG21      VAL   7 -15.373   0.524   4.190
   47   HG22  VAL   7          HG22      VAL   7 -14.185   1.755   3.764
   48   HG23  VAL   7          HG23      VAL   7 -13.936   0.746   5.189
   49    H    THR   8           H        THR   8 -13.231  -0.754   0.333
   50    HA   THR   8           HA       THR   8 -11.257  -2.841   0.228
   51    HB   THR   8           HB       THR   8 -12.829  -1.609  -2.051
   52    HG1  THR   8           HG1      THR   8 -13.612  -3.471  -0.061
   53   HG21  THR   8          HG21      THR   8 -12.861  -4.015  -2.817
   54   HG22  THR   8          HG22      THR   8 -11.724  -4.377  -1.519
   55   HG23  THR   8          HG23      THR   8 -11.261  -3.272  -2.814
   56    H    ALA   9           H        ALA   9 -11.440   0.392  -1.180
   57    HA   ALA   9           HA       ALA   9  -9.106   0.207  -2.853
   58    HB1  ALA   9           HB1      ALA   9 -11.041   1.903  -2.853
   59    HB2  ALA   9           HB2      ALA   9  -9.426   2.563  -3.105
   60    HB3  ALA   9           HB3      ALA   9 -10.194   2.694  -1.523
   61    H    ILE  10           H        ILE  10  -9.591   1.194   0.501
   62    HA   ILE  10           HA       ILE  10  -6.971   2.202   1.053
   63    HB   ILE  10           HB       ILE  10  -9.122   0.840   2.702
   64   HG12  ILE  10          HG12      ILE  10  -9.568   3.111   1.750
   65   HG13  ILE  10          HG13      ILE  10  -9.548   3.103   3.512
   66   HG21  ILE  10          HG21      ILE  10  -6.411   1.854   3.534
   67   HG22  ILE  10          HG22      ILE  10  -7.244   0.379   4.027
   68   HG23  ILE  10          HG23      ILE  10  -7.772   1.941   4.654
   69   HD11  ILE  10          HD11      ILE  10  -7.159   3.857   3.437
   70   HD12  ILE  10          HD12      ILE  10  -8.277   5.022   2.727
   71   HD13  ILE  10          HD13      ILE  10  -7.297   3.993   1.684
   72    H    LEU  11           H        LEU  11  -8.326  -1.092   1.158
   73    HA   LEU  11           HA       LEU  11  -5.993  -2.420   2.181
   74    HB2  LEU  11           HB2      LEU  11  -8.576  -3.078   0.902
   75    HB3  LEU  11           HB3      LEU  11  -7.311  -4.281   0.655
   76    HG   LEU  11           HG       LEU  11  -6.916  -3.969   3.244
   77   HD11  LEU  11          HD11      LEU  11  -8.499  -2.091   3.481
   78   HD12  LEU  11          HD12      LEU  11  -9.025  -3.478   4.437
   79   HD13  LEU  11          HD13      LEU  11  -9.809  -3.119   2.899
   80   HD21  LEU  11          HD21      LEU  11  -8.703  -5.731   3.642
   81   HD22  LEU  11          HD22      LEU  11  -7.594  -6.086   2.318
   82   HD23  LEU  11          HD23      LEU  11  -9.215  -5.482   1.973
   83    H    SER  12           H        SER  12  -7.119  -1.705  -1.096
   84    HA   SER  12           HA       SER  12  -4.987  -3.084  -2.488
   85    HB2  SER  12           HB2      SER  12  -6.959  -0.895  -3.182
   86    HB3  SER  12           HB3      SER  12  -5.819  -1.533  -4.364
   87    HG   SER  12           HG       SER  12  -7.004  -3.263  -4.521
   88    H    SER  13           H        SER  13  -5.496   0.316  -1.510
   89    HA   SER  13           HA       SER  13  -3.123   1.433  -2.650
   90    HB2  SER  13           HB2      SER  13  -4.847   2.119  -0.255
   91    HB3  SER  13           HB3      SER  13  -3.533   3.157  -0.802
   92    HG   SER  13           HG       SER  13  -6.007   2.620  -1.948
   93    H    LEU  14           H        LEU  14  -3.706  -0.230   0.442
   94    HA   LEU  14           HA       LEU  14  -1.269   0.370   1.780
   95    HB2  LEU  14           HB2      LEU  14  -3.369  -1.748   1.830
   96    HB3  LEU  14           HB3      LEU  14  -1.858  -2.111   2.664
   97    HG   LEU  14           HG       LEU  14  -3.233   0.530   3.113
   98   HD11  LEU  14          HD11      LEU  14  -4.941  -1.204   3.511
   99   HD12  LEU  14          HD12      LEU  14  -4.416  -0.483   5.033
  100   HD13  LEU  14          HD13      LEU  14  -3.821  -2.074   4.558
  101   HD21  LEU  14          HD21      LEU  14  -2.086   0.297   5.309
  102   HD22  LEU  14          HD22      LEU  14  -0.948   0.218   3.964
  103   HD23  LEU  14          HD23      LEU  14  -1.441  -1.260   4.790
  104    H    THR  15           H        THR  15  -2.012  -2.105  -0.673
  105    HA   THR  15           HA       THR  15   0.396  -3.633  -0.500
  106    HB   THR  15           HB       THR  15  -1.231  -2.975  -2.979
  107    HG1  THR  15           HG1      THR  15  -2.810  -3.827  -1.906
  108   HG21  THR  15          HG21      THR  15  -0.640  -5.351  -3.542
  109   HG22  THR  15          HG22      THR  15   0.416  -5.370  -2.130
  110   HG23  THR  15          HG23      THR  15   0.752  -4.271  -3.467
  111    H    VAL  16           H        VAL  16  -0.404  -0.764  -2.496
  112    HA   VAL  16           HA       VAL  16   2.130  -0.567  -3.842
  113    HB   VAL  16           HB       VAL  16  -0.056   1.421  -3.132
  114   HG11  VAL  16          HG11      VAL  16   2.444   1.757  -4.800
  115   HG12  VAL  16          HG12      VAL  16   1.850   2.796  -3.504
  116   HG13  VAL  16          HG13      VAL  16   1.013   2.757  -5.056
  117   HG21  VAL  16          HG21      VAL  16  -0.767  -0.338  -4.657
  118   HG22  VAL  16          HG22      VAL  16   0.669  -0.103  -5.655
  119   HG23  VAL  16          HG23      VAL  16  -0.568   1.154  -5.578
  120    H    THR  17           H        THR  17   0.899   0.902  -0.811
  121    HA   THR  17           HA       THR  17   3.154   2.546  -0.213
  122    HB   THR  17           HB       THR  17   1.322   1.050   1.696
  123    HG1  THR  17           HG1      THR  17  -0.180   2.423   1.160
  124   HG21  THR  17          HG21      THR  17   2.740   3.714   1.983
  125   HG22  THR  17          HG22      THR  17   3.293   2.204   2.710
  126   HG23  THR  17          HG23      THR  17   1.755   2.911   3.207
  127    H    GLN  18           H        GLN  18   2.496  -0.889   0.538
  128    HA   GLN  18           HA       GLN  18   4.796  -1.349   2.179
  129    HB2  GLN  18           HB2      GLN  18   2.619  -2.797   1.025
  130    HB3  GLN  18           HB3      GLN  18   4.100  -3.671   0.640
  131    HG2  GLN  18           HG2      GLN  18   3.381  -2.720   3.428
  132    HG3  GLN  18           HG3      GLN  18   3.063  -4.348   2.832
  133   HE21  GLN  18          HE21      GLN  18   5.218  -2.801   4.739
  134   HE22  GLN  18          HE22      GLN  18   6.629  -3.675   4.384
  135    H    LEU  19           H        LEU  19   4.299  -1.645  -1.309
  136    HA   LEU  19           HA       LEU  19   6.852  -2.717  -2.011
  137    HB2  LEU  19           HB2      LEU  19   4.565  -2.116  -3.313
  138    HB3  LEU  19           HB3      LEU  19   5.523  -0.710  -3.780
  139    HG   LEU  19           HG       LEU  19   7.355  -2.291  -4.485
  140   HD11  LEU  19          HD11      LEU  19   5.186  -4.290  -3.822
  141   HD12  LEU  19          HD12      LEU  19   6.858  -4.273  -3.261
  142   HD13  LEU  19          HD13      LEU  19   6.496  -4.669  -4.941
  143   HD21  LEU  19          HD21      LEU  19   6.261  -2.914  -6.589
  144   HD22  LEU  19          HD22      LEU  19   5.732  -1.305  -6.095
  145   HD23  LEU  19          HD23      LEU  19   4.674  -2.695  -5.850
  146    H    LEU  20           H        LEU  20   5.726   0.647  -1.628
  147    HA   LEU  20           HA       LEU  20   8.202   1.929  -2.352
  148    HB2  LEU  20           HB2      LEU  20   5.602   2.586  -1.099
  149    HB3  LEU  20           HB3      LEU  20   6.933   3.629  -0.598
  150    HG   LEU  20           HG       LEU  20   7.461   3.678  -3.188
  151   HD11  LEU  20          HD11      LEU  20   4.474   3.152  -3.150
  152   HD12  LEU  20          HD12      LEU  20   5.684   1.998  -3.710
  153   HD13  LEU  20          HD13      LEU  20   5.456   3.523  -4.566
  154   HD21  LEU  20          HD21      LEU  20   6.869   5.649  -1.856
  155   HD22  LEU  20          HD22      LEU  20   5.166   5.192  -1.901
  156   HD23  LEU  20          HD23      LEU  20   5.989   5.678  -3.383
  157    H    ARG  21           H        ARG  21   6.858   0.766   0.753
  158    HA   ARG  21           HA       ARG  21   8.870   1.795   2.498
  159    HB2  ARG  21           HB2      ARG  21   6.599   0.642   2.960
  160    HB3  ARG  21           HB3      ARG  21   7.477  -0.878   2.784
  161    HG2  ARG  21           HG2      ARG  21   7.489  -0.357   5.125
  162    HG3  ARG  21           HG3      ARG  21   9.111  -0.007   4.526
  163    HD2  ARG  21           HD2      ARG  21   8.592   2.383   4.387
  164    HD3  ARG  21           HD3      ARG  21   6.915   2.070   4.874
  165    HE   ARG  21           HE       ARG  21   9.022   1.073   6.702
  166   HH11  ARG  21          HH21      ARG  21   9.184   3.990   6.898
  167   HH12  ARG  21          HH22      ARG  21   7.959   4.386   8.057
  168   HH21  ARG  21          HH11      ARG  21   6.329   1.328   7.763
  169   HH22  ARG  21          HH12      ARG  21   6.333   2.872   8.547
  170    H    ARG  22           H        ARG  22   8.748  -1.179   0.535
  171    HA   ARG  22           HA       ARG  22  11.114  -2.445   1.539
  172    HB2  ARG  22           HB2      ARG  22   9.314  -2.576  -0.810
  173    HB3  ARG  22           HB3      ARG  22  10.947  -3.174  -1.105
  174    HG2  ARG  22           HG2      ARG  22  10.257  -5.110  -0.171
  175    HG3  ARG  22           HG3      ARG  22  10.307  -4.256   1.372
  176    HD2  ARG  22           HD2      ARG  22   7.984  -3.783   1.323
  177    HD3  ARG  22           HD3      ARG  22   7.867  -4.127  -0.414
  178    HE   ARG  22           HE       ARG  22   7.972  -6.135   1.735
  179   HH11  ARG  22          HH21      ARG  22   6.405  -5.947  -0.990
  180   HH12  ARG  22          HH22      ARG  22   7.075  -7.326  -1.800
  181   HH21  ARG  22          HH11      ARG  22   9.716  -7.680   0.432
  182   HH22  ARG  22          HH12      ARG  22   8.954  -8.311  -0.989
  183    H    LEU  23           H        LEU  23  10.608  -0.194  -1.201
  184    HA   LEU  23           HA       LEU  23  13.295  -0.056  -2.139
  185    HB2  LEU  23           HB2      LEU  23  11.235   0.824  -3.251
  186    HB3  LEU  23           HB3      LEU  23  11.152   2.098  -2.037
  187    HG   LEU  23           HG       LEU  23  13.792   1.895  -3.306
  188   HD11  LEU  23          HD11      LEU  23  12.443   1.258  -5.255
  189   HD12  LEU  23          HD12      LEU  23  13.047   2.903  -5.452
  190   HD13  LEU  23          HD13      LEU  23  11.369   2.631  -4.980
  191   HD21  LEU  23          HD21      LEU  23  13.283   3.799  -1.953
  192   HD22  LEU  23          HD22      LEU  23  11.743   4.060  -2.772
  193   HD23  LEU  23          HD23      LEU  23  13.257   4.384  -3.616
  194    H    HIS  24           H        HIS  24  11.596   1.948   0.300
  195    HA   HIS  24           HA       HIS  24  13.835   3.638   0.954
  196    HB2  HIS  24           HB2      HIS  24  11.239   2.807   2.247
  197    HB3  HIS  24           HB3      HIS  24  12.378   3.815   3.139
  198    HD1  HIS  24           HD1      HIS  24  12.419   6.268   2.582
  199    HD2  HIS  24           HD2      HIS  24  10.368   4.051  -0.289
  200    HE1  HIS  24           HE1      HIS  24  11.362   7.944   1.004
  201    H    GLN  25           H        GLN  25  12.637   0.562   2.312
  202    HA   GLN  25           HA       GLN  25  14.424   0.319   4.525
  203    HB2  GLN  25           HB2      GLN  25  12.347  -1.036   3.862
  204    HB3  GLN  25           HB3      GLN  25  13.398  -1.917   2.754
  205    HG2  GLN  25           HG2      GLN  25  14.891  -2.453   4.709
  206    HG3  GLN  25           HG3      GLN  25  13.679  -1.726   5.766
  207   HE21  GLN  25          HE21      GLN  25  14.148  -4.383   3.399
  208   HE22  GLN  25          HE22      GLN  25  12.879  -5.341   3.992
  209    H    TRP  26           H        TRP  26  14.816  -0.454   1.079
  210    HA   TRP  26           HA       TRP  26  17.350  -1.841   1.315
  211    HB2  TRP  26           HB2      TRP  26  15.783  -0.459  -0.871
  212    HB3  TRP  26           HB3      TRP  26  17.378  -1.129  -1.198
  213    HD1  TRP  26           HD1      TRP  26  15.093  -2.908   1.271
  214    HE1  TRP  26           HE1      TRP  26  14.338  -5.152   0.254
  215    HE3  TRP  26           HE3      TRP  26  16.887  -2.371  -3.482
  216    HZ2  TRP  26           HZ2      TRP  26  14.478  -6.538  -2.244
  217    HZ3  TRP  26           HZ3      TRP  26  16.561  -4.166  -5.158
  218    HH2  TRP  26           HH2      TRP  26  15.360  -6.247  -4.545
  219    H    ILE  27           H        ILE  27  16.397   1.552   0.923
  220    HA   ILE  27           HA       ILE  27  19.085   2.556   0.402
  221    HB   ILE  27           HB       ILE  27  16.503   3.872   1.324
  222   HG12  ILE  27          HG12      ILE  27  16.434   2.682  -0.896
  223   HG13  ILE  27          HG13      ILE  27  16.161   4.418  -1.016
  224   HG21  ILE  27          HG21      ILE  27  19.163   4.986   0.450
  225   HG22  ILE  27          HG22      ILE  27  18.166   5.454   1.827
  226   HG23  ILE  27          HG23      ILE  27  17.678   5.903   0.193
  227   HD11  ILE  27          HD11      ILE  27  18.115   4.782  -2.136
  228   HD12  ILE  27          HD12      ILE  27  17.950   3.078  -2.557
  229   HD13  ILE  27          HD13      ILE  27  18.991   3.557  -1.218
  230    H    SER  28           H        SER  28  16.982   2.284   3.275
  231    HA   SER  28           HA       SER  28  19.379   2.620   5.015
  232    HB2  SER  28           HB2      SER  28  17.032   4.432   4.714
  233    HB3  SER  28           HB3      SER  28  17.589   4.139   6.359
  234    HG   SER  28           HG       SER  28  19.290   4.891   4.209
  Start of MODEL    4
    1    H1   SER   1           H1       SER   1 -23.006   4.803  -6.341
    2    H2   SER   1           H2       SER   1 -23.562   3.200  -6.253
    3    H3   SER   1           H3       SER   1 -21.906   3.518  -6.469
    4    HA   SER   1           HA       SER   1 -22.017   4.728  -4.234
    5    HB2  SER   1           HB2      SER   1 -23.972   3.622  -2.899
    6    HB3  SER   1           HB3      SER   1 -24.349   4.964  -3.974
    7    HG   SER   1           HG       SER   1 -24.846   2.216  -4.260
    8    H    ASP   2           H        ASP   2 -20.177   3.558  -3.724
    9    HA   ASP   2           HA       ASP   2 -20.531   0.648  -3.092
   10    HB2  ASP   2           HB2      ASP   2 -18.456   2.073  -4.772
   11    HB3  ASP   2           HB3      ASP   2 -18.145   0.481  -4.081
   12    H    ALA   3           H        ALA   3 -20.689   1.648  -0.842
   13    HA   ALA   3           HA       ALA   3 -18.476   3.057   0.352
   14    HB1  ALA   3           HB1      ALA   3 -20.683   1.322   1.512
   15    HB2  ALA   3           HB2      ALA   3 -20.753   3.066   1.252
   16    HB3  ALA   3           HB3      ALA   3 -19.656   2.398   2.461
   17    H    ALA   4           H        ALA   4 -19.419  -0.407   0.463
   18    HA   ALA   4           HA       ALA   4 -17.231  -1.316   2.067
   19    HB1  ALA   4           HB1      ALA   4 -19.384  -2.505   1.478
   20    HB2  ALA   4           HB2      ALA   4 -17.941  -3.503   1.301
   21    HB3  ALA   4           HB3      ALA   4 -18.710  -2.803  -0.123
   22    H    ALA   5           H        ALA   5 -17.580  -1.000  -1.478
   23    HA   ALA   5           HA       ALA   5 -15.069  -2.211  -2.180
   24    HB1  ALA   5           HB1      ALA   5 -17.178  -1.550  -3.581
   25    HB2  ALA   5           HB2      ALA   5 -15.591  -1.409  -4.340
   26    HB3  ALA   5           HB3      ALA   5 -16.397   0.027  -3.708
   27    H    ARG   6           H        ARG   6 -15.974   1.157  -1.385
   28    HA   ARG   6           HA       ARG   6 -13.438   2.333  -2.029
   29    HB2  ARG   6           HB2      ARG   6 -15.696   3.049  -0.148
   30    HB3  ARG   6           HB3      ARG   6 -14.297   4.100  -0.364
   31    HG2  ARG   6           HG2      ARG   6 -15.744   3.118  -2.801
   32    HG3  ARG   6           HG3      ARG   6 -16.464   4.421  -1.859
   33    HD2  ARG   6           HD2      ARG   6 -15.086   5.461  -3.555
   34    HD3  ARG   6           HD3      ARG   6 -14.207   5.622  -2.023
   35    HE   ARG   6           HE       ARG   6 -12.654   3.962  -2.771
   36   HH11  ARG   6          HH21      ARG   6 -14.643   2.033  -3.954
   37   HH12  ARG   6          HH22      ARG   6 -14.257   2.110  -5.639
   38   HH21  ARG   6          HH11      ARG   6 -12.435   5.058  -5.353
   39   HH22  ARG   6          HH12      ARG   6 -13.001   3.831  -6.437
   40    H    VAL   7           H        VAL   7 -14.680   0.742   0.845
   41    HA   VAL   7           HA       VAL   7 -12.513   1.337   2.638
   42    HB   VAL   7           HB       VAL   7 -14.418  -1.027   2.420
   43   HG11  VAL   7          HG11      VAL   7 -13.902  -1.222   4.913
   44   HG12  VAL   7          HG12      VAL   7 -12.529  -0.155   4.619
   45   HG13  VAL   7          HG13      VAL   7 -12.611  -1.728   3.823
   46   HG21  VAL   7          HG21      VAL   7 -14.801   0.918   4.578
   47   HG22  VAL   7          HG22      VAL   7 -15.971   0.286   3.421
   48   HG23  VAL   7          HG23      VAL   7 -14.944   1.647   2.980
   49    H    THR   8           H        THR   8 -13.070  -1.238   0.232
   50    HA   THR   8           HA       THR   8 -10.674  -2.745   0.807
   51    HB   THR   8           HB       THR   8 -12.268  -2.509  -1.764
   52    HG1  THR   8           HG1      THR   8 -13.784  -3.542  -0.765
   53   HG21  THR   8          HG21      THR   8 -11.454  -4.720  -2.255
   54   HG22  THR   8          HG22      THR   8 -10.728  -4.868  -0.655
   55   HG23  THR   8          HG23      THR   8 -10.055  -3.735  -1.827
   56    H    ALA   9           H        ALA   9 -11.445  -0.073  -1.362
   57    HA   ALA   9           HA       ALA   9  -9.005  -0.024  -2.858
   58    HB1  ALA   9           HB1      ALA   9 -10.629   2.406  -2.111
   59    HB2  ALA   9           HB2      ALA   9 -11.295   1.175  -3.185
   60    HB3  ALA   9           HB3      ALA   9  -9.834   2.051  -3.645
   61    H    ILE  10           H        ILE  10  -9.922   1.462   0.211
   62    HA   ILE  10           HA       ILE  10  -7.604   3.105   0.602
   63    HB   ILE  10           HB       ILE  10  -9.506   1.666   2.486
   64   HG12  ILE  10          HG12      ILE  10  -9.356   4.632   2.002
   65   HG13  ILE  10          HG13      ILE  10 -10.190   3.602   0.840
   66   HG21  ILE  10          HG21      ILE  10  -7.657   2.062   3.882
   67   HG22  ILE  10          HG22      ILE  10  -8.626   3.519   4.103
   68   HG23  ILE  10          HG23      ILE  10  -7.219   3.550   3.039
   69   HD11  ILE  10          HD11      ILE  10 -10.903   4.229   3.672
   70   HD12  ILE  10          HD12      ILE  10 -11.300   2.624   3.061
   71   HD13  ILE  10          HD13      ILE  10 -11.951   4.055   2.264
   72    H    LEU  11           H        LEU  11  -8.314  -0.288   1.410
   73    HA   LEU  11           HA       LEU  11  -5.837  -0.882   2.738
   74    HB2  LEU  11           HB2      LEU  11  -8.200  -2.102   2.476
   75    HB3  LEU  11           HB3      LEU  11  -7.348  -2.933   1.174
   76    HG   LEU  11           HG       LEU  11  -5.882  -2.693   3.749
   77   HD11  LEU  11          HD11      LEU  11  -8.238  -4.571   3.387
   78   HD12  LEU  11          HD12      LEU  11  -8.165  -3.223   4.521
   79   HD13  LEU  11          HD13      LEU  11  -7.094  -4.608   4.727
   80   HD21  LEU  11          HD21      LEU  11  -6.365  -4.972   1.800
   81   HD22  LEU  11          HD22      LEU  11  -5.202  -4.976   3.124
   82   HD23  LEU  11          HD23      LEU  11  -4.982  -3.878   1.762
   83    H    SER  12           H        SER  12  -6.891  -1.139  -0.637
   84    HA   SER  12           HA       SER  12  -4.595  -2.470  -1.706
   85    HB2  SER  12           HB2      SER  12  -6.932  -1.870  -2.706
   86    HB3  SER  12           HB3      SER  12  -6.173  -0.346  -3.157
   87    HG   SER  12           HG       SER  12  -5.972  -2.747  -4.328
   88    H    SER  13           H        SER  13  -5.309   1.020  -1.328
   89    HA   SER  13           HA       SER  13  -2.897   2.021  -2.515
   90    HB2  SER  13           HB2      SER  13  -5.114   3.182  -1.821
   91    HB3  SER  13           HB3      SER  13  -4.402   3.287  -0.215
   92    HG   SER  13           HG       SER  13  -2.744   4.513  -1.054
   93    H    LEU  14           H        LEU  14  -3.705   1.085   0.833
   94    HA   LEU  14           HA       LEU  14  -1.297   1.945   2.110
   95    HB2  LEU  14           HB2      LEU  14  -3.660   0.365   2.652
   96    HB3  LEU  14           HB3      LEU  14  -2.244  -0.441   3.328
   97    HG   LEU  14           HG       LEU  14  -1.893   2.285   3.927
   98   HD11  LEU  14          HD11      LEU  14  -4.178   2.837   3.504
   99   HD12  LEU  14          HD12      LEU  14  -4.050   2.657   5.254
  100   HD13  LEU  14          HD13      LEU  14  -4.754   1.364   4.283
  101   HD21  LEU  14          HD21      LEU  14  -2.999   0.086   5.703
  102   HD22  LEU  14          HD22      LEU  14  -2.105   1.513   6.227
  103   HD23  LEU  14          HD23      LEU  14  -1.294   0.260   5.285
  104    H    THR  15           H        THR  15  -2.139  -1.144   0.517
  105    HA   THR  15           HA       THR  15   0.258  -2.582   1.124
  106    HB   THR  15           HB       THR  15  -1.530  -2.720  -1.330
  107    HG1  THR  15           HG1      THR  15  -2.972  -3.467  -0.023
  108   HG21  THR  15          HG21      THR  15  -0.866  -5.138  -1.269
  109   HG22  THR  15          HG22      THR  15   0.296  -4.740  -0.002
  110   HG23  THR  15          HG23      THR  15   0.477  -4.048  -1.615
  111    H    VAL  16           H        VAL  16  -0.573  -0.432  -1.608
  112    HA   VAL  16           HA       VAL  16   1.849  -0.793  -3.109
  113    HB   VAL  16           HB       VAL  16  -0.082   1.547  -2.877
  114   HG11  VAL  16          HG11      VAL  16   0.750   1.984  -5.255
  115   HG12  VAL  16          HG12      VAL  16   2.076   0.880  -4.893
  116   HG13  VAL  16          HG13      VAL  16   1.884   2.366  -3.961
  117   HG21  VAL  16          HG21      VAL  16  -0.269  -0.051  -5.285
  118   HG22  VAL  16          HG22      VAL  16  -1.518   0.298  -4.090
  119   HG23  VAL  16          HG23      VAL  16  -0.442  -1.080  -3.864
  120    H    THR  17           H        THR  17   0.928   1.614  -0.617
  121    HA   THR  17           HA       THR  17   3.337   3.162  -0.676
  122    HB   THR  17           HB       THR  17   1.498   2.560   1.669
  123    HG1  THR  17           HG1      THR  17   0.046   3.546   0.548
  124   HG21  THR  17          HG21      THR  17   3.466   3.800   2.346
  125   HG22  THR  17          HG22      THR  17   2.102   4.917   2.291
  126   HG23  THR  17          HG23      THR  17   3.287   4.908   0.985
  127    H    GLN  18           H        GLN  18   2.435   0.260   1.209
  128    HA   GLN  18           HA       GLN  18   4.787   0.140   2.843
  129    HB2  GLN  18           HB2      GLN  18   2.705  -1.802   1.863
  130    HB3  GLN  18           HB3      GLN  18   4.058  -2.374   2.838
  131    HG2  GLN  18           HG2      GLN  18   2.950   0.007   4.033
  132    HG3  GLN  18           HG3      GLN  18   1.663  -1.166   3.757
  133   HE21  GLN  18          HE21      GLN  18   1.397  -2.523   5.539
  134   HE22  GLN  18          HE22      GLN  18   2.648  -3.055   6.554
  135    H    LEU  19           H        LEU  19   4.003  -1.436  -0.233
  136    HA   LEU  19           HA       LEU  19   6.390  -2.901  -0.648
  137    HB2  LEU  19           HB2      LEU  19   4.165  -1.787  -2.232
  138    HB3  LEU  19           HB3      LEU  19   5.651  -1.986  -3.158
  139    HG   LEU  19           HG       LEU  19   4.263  -4.020  -3.273
  140   HD11  LEU  19          HD11      LEU  19   6.002  -5.564  -2.876
  141   HD12  LEU  19          HD12      LEU  19   6.615  -4.656  -1.495
  142   HD13  LEU  19          HD13      LEU  19   6.850  -4.039  -3.130
  143   HD21  LEU  19          HD21      LEU  19   3.075  -3.891  -1.172
  144   HD22  LEU  19          HD22      LEU  19   4.582  -3.966  -0.257
  145   HD23  LEU  19          HD23      LEU  19   4.023  -5.378  -1.154
  146    H    LEU  20           H        LEU  20   5.651   0.516  -1.328
  147    HA   LEU  20           HA       LEU  20   8.129   1.199  -2.619
  148    HB2  LEU  20           HB2      LEU  20   5.919   2.459  -2.562
  149    HB3  LEU  20           HB3      LEU  20   6.321   2.944  -0.916
  150    HG   LEU  20           HG       LEU  20   8.586   3.437  -2.626
  151   HD11  LEU  20          HD11      LEU  20   5.915   4.525  -3.552
  152   HD12  LEU  20          HD12      LEU  20   7.095   3.621  -4.500
  153   HD13  LEU  20          HD13      LEU  20   7.456   5.268  -3.983
  154   HD21  LEU  20          HD21      LEU  20   8.145   4.561  -0.487
  155   HD22  LEU  20          HD22      LEU  20   6.663   5.260  -1.139
  156   HD23  LEU  20          HD23      LEU  20   8.229   5.754  -1.783
  157    H    ARG  21           H        ARG  21   7.066   1.276   0.802
  158    HA   ARG  21           HA       ARG  21   9.407   2.514   1.903
  159    HB2  ARG  21           HB2      ARG  21   7.044   1.951   2.877
  160    HB3  ARG  21           HB3      ARG  21   7.764   0.393   3.286
  161    HG2  ARG  21           HG2      ARG  21   9.584   1.591   4.499
  162    HG3  ARG  21           HG3      ARG  21   8.769   3.118   4.161
  163    HD2  ARG  21           HD2      ARG  21   7.760   2.722   6.188
  164    HD3  ARG  21           HD3      ARG  21   6.709   1.656   5.237
  165    HE   ARG  21           HE       ARG  21   9.218   0.402   6.112
  166   HH11  ARG  21          HH11      ARG  21   8.004   1.055   8.677
  167   HH12  ARG  21          HH12      ARG  21   6.895  -0.247   8.952
  168   HH21  ARG  21          HH21      ARG  21   6.877  -1.281   5.633
  169   HH22  ARG  21          HH22      ARG  21   6.251  -1.571   7.223
  170    H    ARG  22           H        ARG  22   8.572  -0.916   1.343
  171    HA   ARG  22           HA       ARG  22  10.896  -2.106   2.513
  172    HB2  ARG  22           HB2      ARG  22   8.804  -2.813   0.486
  173    HB3  ARG  22           HB3      ARG  22  10.213  -3.864   0.616
  174    HG2  ARG  22           HG2      ARG  22   9.389  -3.303   3.270
  175    HG3  ARG  22           HG3      ARG  22   7.927  -3.694   2.365
  176    HD2  ARG  22           HD2      ARG  22   8.763  -5.798   3.154
  177    HD3  ARG  22           HD3      ARG  22   9.252  -5.723   1.449
  178    HE   ARG  22           HE       ARG  22  11.403  -4.572   2.592
  179   HH11  ARG  22          HH11      ARG  22  10.566  -5.703   5.258
  180   HH12  ARG  22          HH12      ARG  22  11.430  -7.203   5.296
  181   HH21  ARG  22          HH21      ARG  22  12.098  -7.202   1.883
  182   HH22  ARG  22          HH22      ARG  22  12.299  -8.057   3.375
  183    H    LEU  23           H        LEU  23  10.232  -1.043  -0.834
  184    HA   LEU  23           HA       LEU  23  12.673  -1.848  -2.057
  185    HB2  LEU  23           HB2      LEU  23  10.517  -0.992  -3.095
  186    HB3  LEU  23           HB3      LEU  23  11.022   0.633  -2.635
  187    HG   LEU  23           HG       LEU  23  13.146  -0.827  -4.015
  188   HD11  LEU  23          HD11      LEU  23  11.125  -1.838  -5.115
  189   HD12  LEU  23          HD12      LEU  23  12.119  -0.883  -6.216
  190   HD13  LEU  23          HD13      LEU  23  10.618  -0.212  -5.576
  191   HD21  LEU  23          HD21      LEU  23  11.683   1.731  -4.738
  192   HD22  LEU  23          HD22      LEU  23  13.306   1.255  -5.237
  193   HD23  LEU  23          HD23      LEU  23  12.983   1.653  -3.549
  194    H    HIS  24           H        HIS  24  11.817   1.190  -0.376
  195    HA   HIS  24           HA       HIS  24  14.282   2.585  -0.829
  196    HB2  HIS  24           HB2      HIS  24  12.000   2.694   1.125
  197    HB3  HIS  24           HB3      HIS  24  13.419   3.697   1.416
  198    HD1  HIS  24           HD1      HIS  24  10.580   3.206  -1.001
  199    HD2  HIS  24           HD2      HIS  24  13.779   5.822  -0.437
  200    HE1  HIS  24           HE1      HIS  24  10.207   5.151  -2.583
  201    H    GLN  25           H        GLN  25  13.238   0.351   1.749
  202    HA   GLN  25           HA       GLN  25  15.543   0.637   3.446
  203    HB2  GLN  25           HB2      GLN  25  13.175  -0.490   3.741
  204    HB3  GLN  25           HB3      GLN  25  13.997  -1.925   3.129
  205    HG2  GLN  25           HG2      GLN  25  15.557  -0.535   5.180
  206    HG3  GLN  25           HG3      GLN  25  13.985  -1.071   5.774
  207   HE21  GLN  25          HE21      GLN  25  17.074  -2.205   4.443
  208   HE22  GLN  25          HE22      GLN  25  16.826  -3.843   4.808
  209    H    TRP  26           H        TRP  26  14.865  -1.412   0.623
  210    HA   TRP  26           HA       TRP  26  17.195  -3.108   0.859
  211    HB2  TRP  26           HB2      TRP  26  15.064  -3.503  -0.460
  212    HB3  TRP  26           HB3      TRP  26  15.635  -2.302  -1.618
  213    HD1  TRP  26           HD1      TRP  26  16.523  -3.542  -3.647
  214    HE1  TRP  26           HE1      TRP  26  18.066  -5.567  -4.045
  215    HE3  TRP  26           HE3      TRP  26  17.273  -5.044   1.176
  216    HZ2  TRP  26           HZ2      TRP  26  19.435  -7.563  -2.521
  217    HZ3  TRP  26           HZ3      TRP  26  18.699  -7.006   1.674
  218    HH2  TRP  26           HH2      TRP  26  19.781  -8.267  -0.166
  219    H    ILE  27           H        ILE  27  16.580   0.033  -0.665
  220    HA   ILE  27           HA       ILE  27  19.169   0.129  -2.043
  221    HB   ILE  27           HB       ILE  27  16.990   2.165  -1.452
  222   HG12  ILE  27          HG12      ILE  27  17.667   0.955  -4.129
  223   HG13  ILE  27          HG13      ILE  27  16.628   0.085  -3.000
  224   HG21  ILE  27          HG21      ILE  27  19.115   3.320  -1.825
  225   HG22  ILE  27          HG22      ILE  27  18.083   3.514  -3.242
  226   HG23  ILE  27          HG23      ILE  27  19.412   2.355  -3.272
  227   HD11  ILE  27          HD11      ILE  27  15.249   2.238  -2.840
  228   HD12  ILE  27          HD12      ILE  27  15.145   1.356  -4.363
  229   HD13  ILE  27          HD13      ILE  27  16.155   2.797  -4.246
  230    H    SER  28           H        SER  28  17.740   1.543   0.911
  231    HA   SER  28           HA       SER  28  20.508   2.308   1.789
  232    HB2  SER  28           HB2      SER  28  17.890   3.785   2.228
  233    HB3  SER  28           HB3      SER  28  19.477   4.319   2.772
  234    HG   SER  28           HG       SER  28  18.436   4.122   0.158
  Start of MODEL    5
    1    H1   SER   1           H1       SER   1 -25.191   4.101  -2.346
    2    H2   SER   1           H2       SER   1 -24.803   2.499  -1.929
    3    H3   SER   1           H3       SER   1 -24.213   3.172  -3.374
    4    HA   SER   1           HA       SER   1 -22.966   4.841  -2.005
    5    HB2  SER   1           HB2      SER   1 -24.207   3.034   0.071
    6    HB3  SER   1           HB3      SER   1 -22.736   3.937   0.425
    7    HG   SER   1           HG       SER   1 -24.505   5.185   0.996
    8    H    ASP   2           H        ASP   2 -23.135   1.334  -1.206
    9    HA   ASP   2           HA       ASP   2 -21.517  -0.366  -1.407
   10    HB2  ASP   2           HB2      ASP   2 -21.861   0.566  -3.779
   11    HB3  ASP   2           HB3      ASP   2 -20.350   1.440  -3.540
   12    H    ALA   3           H        ALA   3 -20.949   1.212   0.726
   13    HA   ALA   3           HA       ALA   3 -18.420   2.573   0.726
   14    HB1  ALA   3           HB1      ALA   3 -20.184   2.850   2.420
   15    HB2  ALA   3           HB2      ALA   3 -18.679   2.341   3.190
   16    HB3  ALA   3           HB3      ALA   3 -19.975   1.173   2.927
   17    H    ALA   4           H        ALA   4 -19.269  -0.849   1.119
   18    HA   ALA   4           HA       ALA   4 -16.920  -1.850   2.339
   19    HB1  ALA   4           HB1      ALA   4 -18.973  -3.137   1.907
   20    HB2  ALA   4           HB2      ALA   4 -17.583  -3.961   1.201
   21    HB3  ALA   4           HB3      ALA   4 -18.679  -3.043   0.170
   22    H    ALA   5           H        ALA   5 -17.561  -1.278  -1.150
   23    HA   ALA   5           HA       ALA   5 -15.048  -2.260  -2.120
   24    HB1  ALA   5           HB1      ALA   5 -16.754  -0.020  -3.249
   25    HB2  ALA   5           HB2      ALA   5 -17.167  -1.727  -3.410
   26    HB3  ALA   5           HB3      ALA   5 -15.692  -1.104  -4.149
   27    H    ARG   6           H        ARG   6 -16.054   0.968  -0.968
   28    HA   ARG   6           HA       ARG   6 -13.660   2.379  -1.648
   29    HB2  ARG   6           HB2      ARG   6 -16.115   2.854  -0.364
   30    HB3  ARG   6           HB3      ARG   6 -14.895   3.211   0.859
   31    HG2  ARG   6           HG2      ARG   6 -13.790   4.785  -0.611
   32    HG3  ARG   6           HG3      ARG   6 -14.831   4.328  -1.959
   33    HD2  ARG   6           HD2      ARG   6 -16.191   5.255   0.538
   34    HD3  ARG   6           HD3      ARG   6 -15.374   6.481  -0.451
   35    HE   ARG   6           HE       ARG   6 -17.335   4.555  -1.648
   36   HH11  ARG   6          HH21      ARG   6 -18.576   7.069  -0.686
   37   HH12  ARG   6          HH22      ARG   6 -18.461   8.110  -2.066
   38   HH21  ARG   6          HH11      ARG   6 -16.067   6.160  -3.665
   39   HH22  ARG   6          HH12      ARG   6 -17.039   7.591  -3.761
   40    H    VAL   7           H        VAL   7 -14.549   0.419   1.136
   41    HA   VAL   7           HA       VAL   7 -12.253   0.942   2.783
   42    HB   VAL   7           HB       VAL   7 -14.027  -1.515   2.492
   43   HG11  VAL   7          HG11      VAL   7 -13.323  -2.017   4.811
   44   HG12  VAL   7          HG12      VAL   7 -12.223  -0.639   4.770
   45   HG13  VAL   7          HG13      VAL   7 -11.947  -2.021   3.709
   46   HG21  VAL   7          HG21      VAL   7 -15.578  -0.453   3.787
   47   HG22  VAL   7          HG22      VAL   7 -14.793   1.015   3.210
   48   HG23  VAL   7          HG23      VAL   7 -14.351   0.337   4.777
   49    H    THR   8           H        THR   8 -12.901  -1.429   0.194
   50    HA   THR   8           HA       THR   8 -10.415  -2.866   0.421
   51    HB   THR   8           HB       THR   8 -12.171  -2.437  -2.013
   52    HG1  THR   8           HG1      THR   8 -12.420  -4.226   0.173
   53   HG21  THR   8          HG21      THR   8 -10.436  -4.774  -1.169
   54   HG22  THR   8          HG22      THR   8 -10.017  -3.595  -2.411
   55   HG23  THR   8          HG23      THR   8 -11.392  -4.672  -2.647
   56    H    ALA   9           H        ALA   9 -11.421  -0.023  -1.428
   57    HA   ALA   9           HA       ALA   9  -9.051   0.228  -3.034
   58    HB1  ALA   9           HB1      ALA   9  -9.969   2.743  -2.913
   59    HB2  ALA   9           HB2      ALA   9 -11.358   1.929  -2.193
   60    HB3  ALA   9           HB3      ALA   9 -10.827   1.496  -3.818
   61    H    ILE  10           H        ILE  10  -9.950   1.592   0.104
   62    HA   ILE  10           HA       ILE  10  -7.653   3.245   0.523
   63    HB   ILE  10           HB       ILE  10  -9.485   1.697   2.392
   64   HG12  ILE  10          HG12      ILE  10  -9.408   4.681   1.984
   65   HG13  ILE  10          HG13      ILE  10 -10.263   3.658   0.831
   66   HG21  ILE  10          HG21      ILE  10  -7.187   3.548   2.952
   67   HG22  ILE  10          HG22      ILE  10  -7.683   2.091   3.814
   68   HG23  ILE  10          HG23      ILE  10  -8.595   3.587   4.013
   69   HD11  ILE  10          HD11      ILE  10 -11.963   4.109   2.349
   70   HD12  ILE  10          HD12      ILE  10 -10.861   4.158   3.726
   71   HD13  ILE  10          HD13      ILE  10 -11.318   2.610   3.015
   72    H    LEU  11           H        LEU  11  -8.259  -0.198   1.207
   73    HA   LEU  11           HA       LEU  11  -5.736  -0.759   2.469
   74    HB2  LEU  11           HB2      LEU  11  -7.913  -2.083   2.505
   75    HB3  LEU  11           HB3      LEU  11  -7.505  -2.629   0.879
   76    HG   LEU  11           HG       LEU  11  -5.217  -3.309   1.953
   77   HD11  LEU  11          HD11      LEU  11  -7.002  -3.405   4.399
   78   HD12  LEU  11          HD12      LEU  11  -5.810  -2.135   4.125
   79   HD13  LEU  11          HD13      LEU  11  -5.287  -3.810   4.305
   80   HD21  LEU  11          HD21      LEU  11  -6.975  -4.859   1.073
   81   HD22  LEU  11          HD22      LEU  11  -7.744  -4.835   2.659
   82   HD23  LEU  11          HD23      LEU  11  -6.127  -5.514   2.474
   83    H    SER  12           H        SER  12  -6.858  -0.910  -0.881
   84    HA   SER  12           HA       SER  12  -4.628  -2.200  -2.085
   85    HB2  SER  12           HB2      SER  12  -6.935  -1.536  -3.015
   86    HB3  SER  12           HB3      SER  12  -6.237   0.056  -3.301
   87    HG   SER  12           HG       SER  12  -6.132  -1.799  -4.974
   88    H    SER  13           H        SER  13  -5.197   1.301  -1.534
   89    HA   SER  13           HA       SER  13  -2.698   2.160  -2.708
   90    HB2  SER  13           HB2      SER  13  -3.296   4.302  -1.626
   91    HB3  SER  13           HB3      SER  13  -4.701   3.584  -2.407
   92    HG   SER  13           HG       SER  13  -5.572   3.196  -0.499
   93    H    LEU  14           H        LEU  14  -3.666   1.302   0.617
   94    HA   LEU  14           HA       LEU  14  -1.344   2.197   2.003
   95    HB2  LEU  14           HB2      LEU  14  -3.349  -0.034   2.397
   96    HB3  LEU  14           HB3      LEU  14  -2.057   0.251   3.564
   97    HG   LEU  14           HG       LEU  14  -3.958   2.428   2.657
   98   HD11  LEU  14          HD11      LEU  14  -4.895   0.294   3.946
   99   HD12  LEU  14          HD12      LEU  14  -5.424   1.920   4.376
  100   HD13  LEU  14          HD13      LEU  14  -4.186   1.113   5.337
  101   HD21  LEU  14          HD21      LEU  14  -1.813   3.164   3.633
  102   HD22  LEU  14          HD22      LEU  14  -2.100   2.146   5.044
  103   HD23  LEU  14          HD23      LEU  14  -3.150   3.527   4.724
  104    H    THR  15           H        THR  15  -2.030  -0.982   0.487
  105    HA   THR  15           HA       THR  15   0.472  -2.217   1.147
  106    HB   THR  15           HB       THR  15  -1.317  -2.676  -1.265
  107    HG1  THR  15           HG1      THR  15  -1.535  -3.420   1.452
  108   HG21  THR  15          HG21      THR  15  -0.385  -4.814  -1.394
  109   HG22  THR  15          HG22      THR  15   0.166  -4.783   0.281
  110   HG23  THR  15          HG23      THR  15   1.013  -3.838  -0.944
  111    H    VAL  16           H        VAL  16  -0.551  -0.282  -1.687
  112    HA   VAL  16           HA       VAL  16   1.805  -0.590  -3.270
  113    HB   VAL  16           HB       VAL  16  -0.247   1.620  -2.930
  114   HG11  VAL  16          HG11      VAL  16   2.155   1.459  -4.737
  115   HG12  VAL  16          HG12      VAL  16   1.526   2.846  -3.849
  116   HG13  VAL  16          HG13      VAL  16   0.690   2.271  -5.292
  117   HG21  VAL  16          HG21      VAL  16  -0.177  -0.905  -4.281
  118   HG22  VAL  16          HG22      VAL  16  -0.220   0.367  -5.502
  119   HG23  VAL  16          HG23      VAL  16  -1.477   0.288  -4.267
  120    H    THR  17           H        THR  17   1.008   1.754  -0.685
  121    HA   THR  17           HA       THR  17   3.488   3.240  -0.846
  122    HB   THR  17           HB       THR  17   1.636   2.844   1.530
  123    HG1  THR  17           HG1      THR  17   1.413   4.521  -0.744
  124   HG21  THR  17          HG21      THR  17   3.508   5.062   0.672
  125   HG22  THR  17          HG22      THR  17   3.617   4.070   2.127
  126   HG23  THR  17          HG23      THR  17   2.311   5.243   1.954
  127    H    GLN  18           H        GLN  18   2.371   0.513   1.187
  128    HA   GLN  18           HA       GLN  18   4.706   0.298   2.826
  129    HB2  GLN  18           HB2      GLN  18   2.293  -1.247   2.155
  130    HB3  GLN  18           HB3      GLN  18   3.665  -2.256   2.614
  131    HG2  GLN  18           HG2      GLN  18   2.905  -1.833   4.729
  132    HG3  GLN  18           HG3      GLN  18   3.837  -0.351   4.532
  133   HE21  GLN  18          HE21      GLN  18   2.550   1.579   3.624
  134   HE22  GLN  18          HE22      GLN  18   0.912   1.704   4.051
  135    H    LEU  19           H        LEU  19   3.863  -1.215  -0.261
  136    HA   LEU  19           HA       LEU  19   6.126  -2.940  -0.518
  137    HB2  LEU  19           HB2      LEU  19   3.974  -2.782  -1.909
  138    HB3  LEU  19           HB3      LEU  19   4.731  -1.428  -2.747
  139    HG   LEU  19           HG       LEU  19   6.731  -3.056  -3.102
  140   HD11  LEU  19          HD11      LEU  19   6.090  -4.848  -1.641
  141   HD12  LEU  19          HD12      LEU  19   5.886  -5.450  -3.286
  142   HD13  LEU  19          HD13      LEU  19   4.480  -4.938  -2.354
  143   HD21  LEU  19          HD21      LEU  19   4.080  -3.515  -4.512
  144   HD22  LEU  19          HD22      LEU  19   5.667  -3.944  -5.149
  145   HD23  LEU  19          HD23      LEU  19   5.245  -2.249  -4.904
  146    H    LEU  20           H        LEU  20   5.642   0.480  -1.388
  147    HA   LEU  20           HA       LEU  20   8.209   0.900  -2.630
  148    HB2  LEU  20           HB2      LEU  20   5.922   2.261  -2.530
  149    HB3  LEU  20           HB3      LEU  20   6.715   3.052  -1.166
  150    HG   LEU  20           HG       LEU  20   8.722   3.396  -2.715
  151   HD11  LEU  20          HD11      LEU  20   6.610   2.582  -4.733
  152   HD12  LEU  20          HD12      LEU  20   8.166   1.800  -4.453
  153   HD13  LEU  20          HD13      LEU  20   8.105   3.417  -5.157
  154   HD21  LEU  20          HD21      LEU  20   6.043   4.720  -3.208
  155   HD22  LEU  20          HD22      LEU  20   7.542   5.311  -3.926
  156   HD23  LEU  20          HD23      LEU  20   7.354   5.287  -2.172
  157    H    ARG  21           H        ARG  21   7.023   1.296   0.729
  158    HA   ARG  21           HA       ARG  21   9.365   2.527   1.824
  159    HB2  ARG  21           HB2      ARG  21   7.007   0.962   2.791
  160    HB3  ARG  21           HB3      ARG  21   8.347   1.185   3.915
  161    HG2  ARG  21           HG2      ARG  21   7.333   3.559   2.391
  162    HG3  ARG  21           HG3      ARG  21   6.409   2.982   3.776
  163    HD2  ARG  21           HD2      ARG  21   9.381   3.359   4.075
  164    HD3  ARG  21           HD3      ARG  21   8.311   4.772   4.159
  165    HE   ARG  21           HE       ARG  21   6.984   3.257   5.858
  166   HH11  ARG  21          HH11      ARG  21   9.009   1.097   5.982
  167   HH12  ARG  21          HH12      ARG  21  10.001   1.576   7.317
  168   HH21  ARG  21          HH21      ARG  21   8.851   4.857   7.332
  169   HH22  ARG  21          HH22      ARG  21   9.909   3.714   8.088
  170    H    ARG  22           H        ARG  22   8.435  -0.920   1.561
  171    HA   ARG  22           HA       ARG  22  10.705  -2.050   2.879
  172    HB2  ARG  22           HB2      ARG  22   8.676  -2.913   0.833
  173    HB3  ARG  22           HB3      ARG  22  10.022  -3.988   1.207
  174    HG2  ARG  22           HG2      ARG  22   9.315  -3.410   3.714
  175    HG3  ARG  22           HG3      ARG  22   7.754  -3.108   2.948
  176    HD2  ARG  22           HD2      ARG  22   7.835  -5.378   1.924
  177    HD3  ARG  22           HD3      ARG  22   9.364  -5.683   2.774
  178    HE   ARG  22           HE       ARG  22   6.702  -5.460   4.037
  179   HH11  ARG  22          HH21      ARG  22   9.184  -7.388   4.413
  180   HH12  ARG  22          HH22      ARG  22   9.587  -7.003   6.053
  181   HH21  ARG  22          HH11      ARG  22   7.625  -4.136   6.140
  182   HH22  ARG  22          HH12      ARG  22   8.702  -5.157   7.032
  183    H    LEU  23           H        LEU  23  10.121  -1.380  -0.589
  184    HA   LEU  23           HA       LEU  23  12.634  -2.307  -1.589
  185    HB2  LEU  23           HB2      LEU  23  10.404  -1.593  -2.742
  186    HB3  LEU  23           HB3      LEU  23  11.087   0.033  -2.705
  187    HG   LEU  23           HG       LEU  23  13.199  -1.097  -3.754
  188   HD11  LEU  23          HD11      LEU  23  11.009  -3.099  -4.395
  189   HD12  LEU  23          HD12      LEU  23  12.474  -3.413  -3.463
  190   HD13  LEU  23          HD13      LEU  23  12.585  -3.049  -5.185
  191   HD21  LEU  23          HD21      LEU  23  10.628  -0.785  -5.341
  192   HD22  LEU  23          HD22      LEU  23  12.260  -0.745  -6.008
  193   HD23  LEU  23          HD23      LEU  23  11.726   0.525  -4.909
  194    H    HIS  24           H        HIS  24  11.623   0.880  -0.335
  195    HA   HIS  24           HA       HIS  24  13.944   2.391  -0.988
  196    HB2  HIS  24           HB2      HIS  24  11.541   2.788   0.280
  197    HB3  HIS  24           HB3      HIS  24  12.666   2.903   1.633
  198    HD1  HIS  24           HD1      HIS  24  12.078   4.408  -1.808
  199    HD2  HIS  24           HD2      HIS  24  14.092   5.294   1.733
  200    HE1  HIS  24           HE1      HIS  24  12.963   6.768  -2.059
  201    H    GLN  25           H        GLN  25  13.243   0.345   1.858
  202    HA   GLN  25           HA       GLN  25  15.707   0.917   3.261
  203    HB2  GLN  25           HB2      GLN  25  13.505  -1.126   3.351
  204    HB3  GLN  25           HB3      GLN  25  14.965  -1.410   4.300
  205    HG2  GLN  25           HG2      GLN  25  14.654   0.550   5.585
  206    HG3  GLN  25           HG3      GLN  25  13.512   1.234   4.425
  207   HE21  GLN  25          HE21      GLN  25  11.403  -0.135   4.163
  208   HE22  GLN  25          HE22      GLN  25  10.777  -0.844   5.574
  209    H    TRP  26           H        TRP  26  14.722  -1.603   0.937
  210    HA   TRP  26           HA       TRP  26  17.054  -3.256   1.102
  211    HB2  TRP  26           HB2      TRP  26  14.767  -2.770  -0.719
  212    HB3  TRP  26           HB3      TRP  26  16.185  -3.478  -1.491
  213    HD1  TRP  26           HD1      TRP  26  13.184  -4.463   0.307
  214    HE1  TRP  26           HE1      TRP  26  13.377  -6.869   1.216
  215    HE3  TRP  26           HE3      TRP  26  18.207  -5.213  -0.236
  216    HZ2  TRP  26           HZ2      TRP  26  15.395  -8.848   1.655
  217    HZ3  TRP  26           HZ3      TRP  26  19.236  -7.365   0.435
  218    HH2  TRP  26           HH2      TRP  26  17.838  -9.182   1.380
  219    H    ILE  27           H        ILE  27  16.397  -0.256  -0.661
  220    HA   ILE  27           HA       ILE  27  18.834  -0.372  -2.282
  221    HB   ILE  27           HB       ILE  27  16.795   1.785  -1.631
  222   HG12  ILE  27          HG12      ILE  27  17.157   0.440  -4.294
  223   HG13  ILE  27          HG13      ILE  27  16.281  -0.406  -3.017
  224   HG21  ILE  27          HG21      ILE  27  17.845   2.699  -3.887
  225   HG22  ILE  27          HG22      ILE  27  19.262   1.805  -3.338
  226   HG23  ILE  27          HG23      ILE  27  18.585   3.088  -2.334
  227   HD11  ILE  27          HD11      ILE  27  14.540   0.753  -4.022
  228   HD12  ILE  27          HD12      ILE  27  15.563   2.124  -4.452
  229   HD13  ILE  27          HD13      ILE  27  15.025   1.913  -2.786
  230    H    SER  28           H        SER  28  17.865   1.051   0.817
  231    HA   SER  28           HA       SER  28  20.182   2.772   1.128
  232    HB2  SER  28           HB2      SER  28  18.093   1.607   2.985
  233    HB3  SER  28           HB3      SER  28  19.339   2.718   3.547
  234    HG   SER  28           HG       SER  28  17.227   3.145   1.727
  Start of MODEL    6
    1    H1   SER   1           H1       SER   1 -22.265  -6.198  -3.942
    2    H2   SER   1           H2       SER   1 -22.958  -6.698  -2.474
    3    H3   SER   1           H3       SER   1 -21.348  -7.102  -2.837
    4    HA   SER   1           HA       SER   1 -22.465  -4.470  -2.068
    5    HB2  SER   1           HB2      SER   1 -20.319  -4.740  -0.612
    6    HB3  SER   1           HB3      SER   1 -21.709  -5.752  -0.235
    7    HG   SER   1           HG       SER   1 -20.021  -7.137  -0.361
    8    H    ASP   2           H        ASP   2 -21.733  -2.723  -3.199
    9    HA   ASP   2           HA       ASP   2 -19.298  -3.035  -4.915
   10    HB2  ASP   2           HB2      ASP   2 -21.640  -1.100  -4.966
   11    HB3  ASP   2           HB3      ASP   2 -20.317  -1.108  -6.133
   12    H    ALA   3           H        ALA   3 -20.850  -0.778  -2.602
   13    HA   ALA   3           HA       ALA   3 -18.760   1.188  -2.577
   14    HB1  ALA   3           HB1      ALA   3 -19.864   1.728  -0.332
   15    HB2  ALA   3           HB2      ALA   3 -20.903   0.332  -0.617
   16    HB3  ALA   3           HB3      ALA   3 -20.942   1.701  -1.728
   17    H    ALA   4           H        ALA   4 -19.292  -1.747  -0.617
   18    HA   ALA   4           HA       ALA   4 -17.262  -1.416   1.332
   19    HB1  ALA   4           HB1      ALA   4 -18.319  -3.883  -0.089
   20    HB2  ALA   4           HB2      ALA   4 -18.965  -3.168   1.389
   21    HB3  ALA   4           HB3      ALA   4 -17.371  -3.925   1.398
   22    H    ALA   5           H        ALA   5 -17.041  -2.731  -1.988
   23    HA   ALA   5           HA       ALA   5 -14.333  -3.623  -1.903
   24    HB1  ALA   5           HB1      ALA   5 -14.516  -3.494  -4.348
   25    HB2  ALA   5           HB2      ALA   5 -15.892  -2.398  -4.207
   26    HB3  ALA   5           HB3      ALA   5 -16.043  -4.075  -3.680
   27    H    ARG   6           H        ARG   6 -15.712  -0.395  -2.560
   28    HA   ARG   6           HA       ARG   6 -13.281   0.895  -3.353
   29    HB2  ARG   6           HB2      ARG   6 -15.794   1.870  -1.967
   30    HB3  ARG   6           HB3      ARG   6 -14.552   2.954  -2.589
   31    HG2  ARG   6           HG2      ARG   6 -14.973   2.358  -4.826
   32    HG3  ARG   6           HG3      ARG   6 -15.797   0.866  -4.371
   33    HD2  ARG   6           HD2      ARG   6 -17.797   1.925  -4.062
   34    HD3  ARG   6           HD3      ARG   6 -17.037   3.332  -3.293
   35    HE   ARG   6           HE       ARG   6 -16.291   3.989  -5.643
   36   HH11  ARG   6          HH21      ARG   6 -17.183   1.621  -7.150
   37   HH12  ARG   6          HH22      ARG   6 -18.739   2.096  -7.744
   38   HH21  ARG   6          HH11      ARG   6 -19.080   4.730  -5.501
   39   HH22  ARG   6          HH12      ARG   6 -19.819   3.861  -6.804
   40    H    VAL   7           H        VAL   7 -14.732   0.277  -0.206
   41    HA   VAL   7           HA       VAL   7 -12.906   1.789   1.412
   42    HB   VAL   7           HB       VAL   7 -14.437  -0.782   1.982
   43   HG11  VAL   7          HG11      VAL   7 -13.127   1.268   3.783
   44   HG12  VAL   7          HG12      VAL   7 -12.829  -0.469   3.728
   45   HG13  VAL   7          HG13      VAL   7 -14.358   0.143   4.358
   46   HG21  VAL   7          HG21      VAL   7 -16.144   0.692   1.463
   47   HG22  VAL   7          HG22      VAL   7 -15.187   2.112   1.884
   48   HG23  VAL   7          HG23      VAL   7 -15.906   1.122   3.156
   49    H    THR   8           H        THR   8 -12.847  -1.556   0.159
   50    HA   THR   8           HA       THR   8 -10.422  -2.379   1.470
   51    HB   THR   8           HB       THR   8 -11.510  -3.324  -1.193
   52    HG1  THR   8           HG1      THR   8 -12.348  -3.998   1.435
   53   HG21  THR   8          HG21      THR   8 -10.647  -5.508  -0.406
   54   HG22  THR   8          HG22      THR   8 -10.051  -4.731   1.062
   55   HG23  THR   8          HG23      THR   8  -9.367  -4.299  -0.506
   56    H    ALA   9           H        ALA   9 -11.090  -0.780  -1.607
   57    HA   ALA   9           HA       ALA   9  -8.438  -0.921  -2.702
   58    HB1  ALA   9           HB1      ALA   9 -10.329  -0.423  -4.102
   59    HB2  ALA   9           HB2      ALA   9  -9.334   1.034  -4.077
   60    HB3  ALA   9           HB3      ALA   9 -10.791   0.942  -3.086
   61    H    ILE  10           H        ILE  10 -10.053   1.494  -0.680
   62    HA   ILE  10           HA       ILE  10  -7.982   3.470  -0.655
   63    HB   ILE  10           HB       ILE  10 -10.083   2.631   1.375
   64   HG12  ILE  10          HG12      ILE  10 -10.900   3.473  -0.827
   65   HG13  ILE  10          HG13      ILE  10 -11.322   4.555   0.497
   66   HG21  ILE  10          HG21      ILE  10  -8.523   3.831   2.684
   67   HG22  ILE  10          HG22      ILE  10  -9.694   5.058   2.198
   68   HG23  ILE  10          HG23      ILE  10  -8.142   4.942   1.368
   69   HD11  ILE  10          HD11      ILE  10  -8.716   5.230  -0.596
   70   HD12  ILE  10          HD12      ILE  10 -10.146   6.246  -0.415
   71   HD13  ILE  10          HD13      ILE  10  -9.953   5.244  -1.853
   72    H    LEU  11           H        LEU  11  -8.539   0.568   1.333
   73    HA   LEU  11           HA       LEU  11  -6.338   0.930   3.143
   74    HB2  LEU  11           HB2      LEU  11  -7.989  -1.398   2.164
   75    HB3  LEU  11           HB3      LEU  11  -6.683  -1.635   3.325
   76    HG   LEU  11           HG       LEU  11  -8.648   0.544   3.884
   77   HD11  LEU  11          HD11      LEU  11 -10.299  -0.935   4.767
   78   HD12  LEU  11          HD12      LEU  11  -9.251  -2.340   4.570
   79   HD13  LEU  11          HD13      LEU  11  -9.937  -1.544   3.152
   80   HD21  LEU  11          HD21      LEU  11  -8.192  -0.152   6.192
   81   HD22  LEU  11          HD22      LEU  11  -6.673   0.089   5.330
   82   HD23  LEU  11          HD23      LEU  11  -7.278  -1.544   5.612
   83    H    SER  12           H        SER  12  -6.669  -0.689   0.017
   84    HA   SER  12           HA       SER  12  -4.103  -1.917  -0.150
   85    HB2  SER  12           HB2      SER  12  -6.252  -1.000  -1.995
   86    HB3  SER  12           HB3      SER  12  -4.673  -1.282  -2.725
   87    HG   SER  12           HG       SER  12  -4.711  -3.372  -1.862
   88    H    SER  13           H        SER  13  -5.139   1.427  -0.757
   89    HA   SER  13           HA       SER  13  -2.760   2.383  -2.048
   90    HB2  SER  13           HB2      SER  13  -4.607   3.867  -0.150
   91    HB3  SER  13           HB3      SER  13  -3.645   4.563  -1.448
   92    HG   SER  13           HG       SER  13  -5.023   3.787  -2.902
   93    H    LEU  14           H        LEU  14  -3.686   2.105   1.385
   94    HA   LEU  14           HA       LEU  14  -1.359   3.402   2.488
   95    HB2  LEU  14           HB2      LEU  14  -3.551   1.574   3.419
   96    HB3  LEU  14           HB3      LEU  14  -2.169   1.831   4.484
   97    HG   LEU  14           HG       LEU  14  -2.653   4.392   3.799
   98   HD11  LEU  14          HD11      LEU  14  -4.551   4.030   2.391
   99   HD12  LEU  14          HD12      LEU  14  -5.196   4.635   3.917
  100   HD13  LEU  14          HD13      LEU  14  -5.281   2.914   3.545
  101   HD21  LEU  14          HD21      LEU  14  -4.029   4.512   5.912
  102   HD22  LEU  14          HD22      LEU  14  -2.517   3.621   6.091
  103   HD23  LEU  14          HD23      LEU  14  -4.041   2.748   5.936
  104    H    THR  15           H        THR  15  -2.130  -0.053   1.873
  105    HA   THR  15           HA       THR  15   0.355  -1.080   2.921
  106    HB   THR  15           HB       THR  15  -0.354  -3.089   1.480
  107    HG1  THR  15           HG1      THR  15  -1.588  -2.329  -0.085
  108   HG21  THR  15          HG21      THR  15  -1.021  -2.614   3.894
  109   HG22  THR  15          HG22      THR  15  -2.098  -3.680   2.993
  110   HG23  THR  15          HG23      THR  15  -2.541  -1.992   3.252
  111    H    VAL  16           H        VAL  16  -0.671  -0.097  -0.361
  112    HA   VAL  16           HA       VAL  16   1.651  -0.931  -1.796
  113    HB   VAL  16           HB       VAL  16  -0.380   1.295  -2.119
  114   HG11  VAL  16          HG11      VAL  16   2.020   0.641  -3.829
  115   HG12  VAL  16          HG12      VAL  16   1.448   2.221  -3.291
  116   HG13  VAL  16          HG13      VAL  16   0.566   1.343  -4.540
  117   HG21  VAL  16          HG21      VAL  16   0.011  -0.960  -4.042
  118   HG22  VAL  16          HG22      VAL  16  -1.480  -0.176  -3.521
  119   HG23  VAL  16          HG23      VAL  16  -0.686  -1.348  -2.469
  120    H    THR  17           H        THR  17   0.960   2.100  -0.022
  121    HA   THR  17           HA       THR  17   3.353   3.523  -0.667
  122    HB   THR  17           HB       THR  17   1.723   3.526   1.904
  123    HG1  THR  17           HG1      THR  17   0.227   4.103   0.542
  124   HG21  THR  17          HG21      THR  17   3.376   5.707   0.598
  125   HG22  THR  17          HG22      THR  17   3.872   4.771   2.008
  126   HG23  THR  17          HG23      THR  17   2.477   5.845   2.108
  127    H    GLN  18           H        GLN  18   2.607   1.354   2.089
  128    HA   GLN  18           HA       GLN  18   5.209   1.463   3.298
  129    HB2  GLN  18           HB2      GLN  18   2.688  -0.029   3.522
  130    HB3  GLN  18           HB3      GLN  18   4.097  -1.003   3.939
  131    HG2  GLN  18           HG2      GLN  18   3.687  -0.022   5.992
  132    HG3  GLN  18           HG3      GLN  18   4.772   1.184   5.300
  133   HE21  GLN  18          HE21      GLN  18   3.680   3.108   4.224
  134   HE22  GLN  18          HE22      GLN  18   2.159   3.600   4.796
  135    H    LEU  19           H        LEU  19   3.774  -0.673   0.882
  136    HA   LEU  19           HA       LEU  19   5.861  -2.599   0.653
  137    HB2  LEU  19           HB2      LEU  19   3.433  -2.226  -0.457
  138    HB3  LEU  19           HB3      LEU  19   4.429  -1.633  -1.788
  139    HG   LEU  19           HG       LEU  19   5.138  -4.237  -0.467
  140   HD11  LEU  19          HD11      LEU  19   2.662  -4.217  -1.078
  141   HD12  LEU  19          HD12      LEU  19   3.630  -5.463  -1.865
  142   HD13  LEU  19          HD13      LEU  19   3.168  -4.012  -2.755
  143   HD21  LEU  19          HD21      LEU  19   5.790  -4.679  -2.914
  144   HD22  LEU  19          HD22      LEU  19   6.733  -3.457  -2.060
  145   HD23  LEU  19          HD23      LEU  19   5.474  -2.967  -3.193
  146    H    LEU  20           H        LEU  20   5.438   0.599  -0.867
  147    HA   LEU  20           HA       LEU  20   7.743   0.505  -2.589
  148    HB2  LEU  20           HB2      LEU  20   6.078   2.680  -1.301
  149    HB3  LEU  20           HB3      LEU  20   7.435   3.069  -2.357
  150    HG   LEU  20           HG       LEU  20   5.389   1.088  -3.300
  151   HD11  LEU  20          HD11      LEU  20   5.027   4.033  -3.802
  152   HD12  LEU  20          HD12      LEU  20   4.328   3.291  -2.362
  153   HD13  LEU  20          HD13      LEU  20   3.852   2.726  -3.963
  154   HD21  LEU  20          HD21      LEU  20   6.042   1.992  -5.479
  155   HD22  LEU  20          HD22      LEU  20   7.489   1.552  -4.571
  156   HD23  LEU  20          HD23      LEU  20   7.007   3.244  -4.698
  157    H    ARG  21           H        ARG  21   7.264   1.643   0.773
  158    HA   ARG  21           HA       ARG  21   9.854   2.744   1.225
  159    HB2  ARG  21           HB2      ARG  21   7.723   2.822   2.646
  160    HB3  ARG  21           HB3      ARG  21   8.158   1.211   3.217
  161    HG2  ARG  21           HG2      ARG  21  10.245   2.025   4.128
  162    HG3  ARG  21           HG3      ARG  21   9.999   3.611   3.398
  163    HD2  ARG  21           HD2      ARG  21   7.869   3.801   4.788
  164    HD3  ARG  21           HD3      ARG  21   8.416   2.356   5.661
  165    HE   ARG  21           HE       ARG  21  10.510   3.633   6.216
  166   HH11  ARG  21          HH21      ARG  21   7.917   4.945   7.332
  167   HH12  ARG  21          HH22      ARG  21   8.277   6.616   7.053
  168   HH21  ARG  21          HH11      ARG  21  10.910   5.955   4.881
  169   HH22  ARG  21          HH12      ARG  21   9.979   7.190   5.660
  170    H    ARG  22           H        ARG  22   8.647  -0.600   1.637
  171    HA   ARG  22           HA       ARG  22  11.099  -1.719   2.657
  172    HB2  ARG  22           HB2      ARG  22   8.450  -2.533   1.927
  173    HB3  ARG  22           HB3      ARG  22   9.588  -3.624   1.134
  174    HG2  ARG  22           HG2      ARG  22  10.510  -4.352   3.158
  175    HG3  ARG  22           HG3      ARG  22   9.975  -2.916   4.031
  176    HD2  ARG  22           HD2      ARG  22   7.631  -4.186   3.010
  177    HD3  ARG  22           HD3      ARG  22   8.619  -5.436   3.790
  178    HE   ARG  22           HE       ARG  22   8.601  -4.101   5.845
  179   HH11  ARG  22          HH21      ARG  22   8.183  -1.432   4.388
  180   HH12  ARG  22          HH22      ARG  22   6.566  -1.044   4.872
  181   HH21  ARG  22          HH11      ARG  22   5.840  -4.256   5.979
  182   HH22  ARG  22          HH12      ARG  22   5.237  -2.646   5.774
  183    H    LEU  23           H        LEU  23   9.782  -1.371  -0.645
  184    HA   LEU  23           HA       LEU  23  11.781  -2.829  -2.066
  185    HB2  LEU  23           HB2      LEU  23   9.492  -1.674  -2.729
  186    HB3  LEU  23           HB3      LEU  23  10.531  -0.306  -3.129
  187    HG   LEU  23           HG       LEU  23  11.935  -1.946  -4.496
  188   HD11  LEU  23          HD11      LEU  23  11.243  -4.065  -3.687
  189   HD12  LEU  23          HD12      LEU  23  10.492  -3.940  -5.279
  190   HD13  LEU  23          HD13      LEU  23   9.534  -3.653  -3.826
  191   HD21  LEU  23          HD21      LEU  23   9.065  -1.296  -5.213
  192   HD22  LEU  23          HD22      LEU  23  10.204  -1.981  -6.371
  193   HD23  LEU  23          HD23      LEU  23  10.517  -0.400  -5.658
  194    H    HIS  24           H        HIS  24  11.673   0.569  -0.984
  195    HA   HIS  24           HA       HIS  24  14.100   1.447  -2.255
  196    HB2  HIS  24           HB2      HIS  24  12.049   2.459  -0.579
  197    HB3  HIS  24           HB3      HIS  24  13.561   2.738   0.283
  198    HD1  HIS  24           HD1      HIS  24  12.082   3.311  -3.187
  199    HD2  HIS  24           HD2      HIS  24  14.991   4.912  -0.663
  200    HE1  HIS  24           HE1      HIS  24  12.966   5.387  -4.337
  201    H    GLN  25           H        GLN  25  13.411   0.003   0.933
  202    HA   GLN  25           HA       GLN  25  16.043   0.219   2.049
  203    HB2  GLN  25           HB2      GLN  25  14.011  -0.280   3.334
  204    HB3  GLN  25           HB3      GLN  25  13.800  -1.792   2.453
  205    HG2  GLN  25           HG2      GLN  25  16.384  -2.030   3.380
  206    HG3  GLN  25           HG3      GLN  25  15.596  -1.168   4.702
  207   HE21  GLN  25          HE21      GLN  25  14.644  -3.867   2.468
  208   HE22  GLN  25          HE22      GLN  25  14.028  -4.852   3.706
  209    H    TRP  26           H        TRP  26  14.529  -2.205  -0.073
  210    HA   TRP  26           HA       TRP  26  16.582  -4.205   0.058
  211    HB2  TRP  26           HB2      TRP  26  14.175  -3.580  -1.429
  212    HB3  TRP  26           HB3      TRP  26  15.420  -4.179  -2.525
  213    HD1  TRP  26           HD1      TRP  26  16.774  -6.460  -1.400
  214    HE1  TRP  26           HE1      TRP  26  15.637  -8.547  -0.405
  215    HE3  TRP  26           HE3      TRP  26  12.151  -4.545  -0.387
  216    HZ2  TRP  26           HZ2      TRP  26  13.099  -9.305   0.677
  217    HZ3  TRP  26           HZ3      TRP  26  10.395  -5.970   0.624
  218    HH2  TRP  26           HH2      TRP  26  10.863  -8.346   1.156
  219    H    ILE  27           H        ILE  27  16.356  -1.156  -1.692
  220    HA   ILE  27           HA       ILE  27  18.575  -1.763  -3.521
  221    HB   ILE  27           HB       ILE  27  17.101   0.801  -2.811
  222   HG12  ILE  27          HG12      ILE  27  16.735  -0.735  -5.364
  223   HG13  ILE  27          HG13      ILE  27  15.922  -1.313  -3.909
  224   HG21  ILE  27          HG21      ILE  27  17.981   1.582  -5.020
  225   HG22  ILE  27          HG22      ILE  27  18.959   0.118  -5.112
  226   HG23  ILE  27          HG23      ILE  27  19.258   1.299  -3.836
  227   HD11  ILE  27          HD11      ILE  27  15.541   1.269  -5.391
  228   HD12  ILE  27          HD12      ILE  27  15.203   1.208  -3.662
  229   HD13  ILE  27          HD13      ILE  27  14.326   0.152  -4.768
  230    H    SER  28           H        SER  28  18.116  -0.056  -0.434
  231    HA   SER  28           HA       SER  28  20.877   0.984  -0.427
  232    HB2  SER  28           HB2      SER  28  20.103   1.760   1.880
  233    HB3  SER  28           HB3      SER  28  19.147   2.353   0.527
  234    HG   SER  28           HG       SER  28  18.529   0.034   2.057
  Start of MODEL    7
    1    H1   SER   1           H1       SER   1 -20.876  -0.064  -6.480
    2    H2   SER   1           H2       SER   1 -19.750  -0.771  -5.422
    3    H3   SER   1           H3       SER   1 -19.271  -0.289  -6.979
    4    HA   SER   1           HA       SER   1 -18.462   1.363  -5.485
    5    HB2  SER   1           HB2      SER   1 -21.006   2.133  -6.955
    6    HB3  SER   1           HB3      SER   1 -19.817   3.292  -6.368
    7    HG   SER   1           HG       SER   1 -19.323   2.816  -8.487
    8    H    ASP   2           H        ASP   2 -18.771   0.844  -3.243
    9    HA   ASP   2           HA       ASP   2 -21.001   2.305  -1.955
   10    HB2  ASP   2           HB2      ASP   2 -21.520   0.196  -0.615
   11    HB3  ASP   2           HB3      ASP   2 -21.984   0.135  -2.314
   12    H    ALA   3           H        ALA   3 -20.685   1.773   0.608
   13    HA   ALA   3           HA       ALA   3 -18.246   2.982   1.424
   14    HB1  ALA   3           HB1      ALA   3 -19.010   2.201   3.689
   15    HB2  ALA   3           HB2      ALA   3 -20.248   1.233   2.887
   16    HB3  ALA   3           HB3      ALA   3 -20.281   2.993   2.757
   17    H    ALA   4           H        ALA   4 -19.192  -0.482   1.495
   18    HA   ALA   4           HA       ALA   4 -16.806  -1.503   2.679
   19    HB1  ALA   4           HB1      ALA   4 -19.107  -2.586   2.150
   20    HB2  ALA   4           HB2      ALA   4 -17.673  -3.601   1.999
   21    HB3  ALA   4           HB3      ALA   4 -18.425  -2.919   0.558
   22    H    ALA   5           H        ALA   5 -17.624  -0.891  -0.753
   23    HA   ALA   5           HA       ALA   5 -15.238  -2.009  -1.892
   24    HB1  ALA   5           HB1      ALA   5 -16.706   0.385  -2.995
   25    HB2  ALA   5           HB2      ALA   5 -17.500  -1.189  -2.928
   26    HB3  ALA   5           HB3      ALA   5 -16.023  -0.985  -3.869
   27    H    ARG   6           H        ARG   6 -15.997   1.248  -0.646
   28    HA   ARG   6           HA       ARG   6 -13.555   2.524  -1.439
   29    HB2  ARG   6           HB2      ARG   6 -15.357   3.903  -0.762
   30    HB3  ARG   6           HB3      ARG   6 -15.661   2.940   0.679
   31    HG2  ARG   6           HG2      ARG   6 -12.980   4.210   0.518
   32    HG3  ARG   6           HG3      ARG   6 -14.341   5.310   0.730
   33    HD2  ARG   6           HD2      ARG   6 -13.788   2.887   2.488
   34    HD3  ARG   6           HD3      ARG   6 -13.438   4.568   2.928
   35    HE   ARG   6           HE       ARG   6 -16.178   3.460   2.480
   36   HH11  ARG   6          HH21      ARG   6 -15.805   6.409   1.844
   37   HH12  ARG   6          HH22      ARG   6 -16.241   7.140   3.351
   38   HH21  ARG   6          HH11      ARG   6 -15.974   4.186   5.163
   39   HH22  ARG   6          HH12      ARG   6 -16.333   5.879   5.240
   40    H    VAL   7           H        VAL   7 -14.450   0.584   1.358
   41    HA   VAL   7           HA       VAL   7 -12.072   0.983   2.928
   42    HB   VAL   7           HB       VAL   7 -13.984  -1.376   2.703
   43   HG11  VAL   7          HG11      VAL   7 -11.857  -0.639   4.717
   44   HG12  VAL   7          HG12      VAL   7 -12.094  -2.177   3.886
   45   HG13  VAL   7          HG13      VAL   7 -13.216  -1.676   5.150
   46   HG21  VAL   7          HG21      VAL   7 -15.455  -0.195   3.960
   47   HG22  VAL   7          HG22      VAL   7 -14.517   1.229   3.507
   48   HG23  VAL   7          HG23      VAL   7 -14.185   0.401   5.028
   49    H    THR   8           H        THR   8 -12.957  -1.341   0.366
   50    HA   THR   8           HA       THR   8 -10.544  -2.909   0.481
   51    HB   THR   8           HB       THR   8 -12.408  -2.364  -1.850
   52    HG1  THR   8           HG1      THR   8 -13.830  -3.441  -0.768
   53   HG21  THR   8          HG21      THR   8 -10.711  -4.784  -1.178
   54   HG22  THR   8          HG22      THR   8 -10.308  -3.577  -2.399
   55   HG23  THR   8          HG23      THR   8 -11.737  -4.593  -2.601
   56    H    ALA   9           H        ALA   9 -11.480  -0.000  -1.291
   57    HA   ALA   9           HA       ALA   9  -9.187   0.167  -3.011
   58    HB1  ALA   9           HB1      ALA   9 -10.021   2.367  -3.464
   59    HB2  ALA   9           HB2      ALA   9 -10.785   2.471  -1.878
   60    HB3  ALA   9           HB3      ALA   9 -11.445   1.390  -3.107
   61    H    ILE  10           H        ILE  10  -9.844   1.460   0.213
   62    HA   ILE  10           HA       ILE  10  -7.461   3.002   0.561
   63    HB   ILE  10           HB       ILE  10  -9.275   1.468   2.456
   64   HG12  ILE  10          HG12      ILE  10  -9.016   4.459   2.125
   65   HG13  ILE  10          HG13      ILE  10 -10.050   3.514   1.053
   66   HG21  ILE  10          HG21      ILE  10  -7.224   1.695   3.663
   67   HG22  ILE  10          HG22      ILE  10  -8.246   3.024   4.209
   68   HG23  ILE  10          HG23      ILE  10  -6.956   3.325   3.043
   69   HD11  ILE  10          HD11      ILE  10 -10.281   3.858   4.044
   70   HD12  ILE  10          HD12      ILE  10 -11.084   2.536   3.198
   71   HD13  ILE  10          HD13      ILE  10 -11.487   4.207   2.808
   72    H    LEU  11           H        LEU  11  -8.173  -0.442   1.127
   73    HA   LEU  11           HA       LEU  11  -5.641  -1.179   2.251
   74    HB2  LEU  11           HB2      LEU  11  -8.017  -2.366   1.974
   75    HB3  LEU  11           HB3      LEU  11  -7.238  -3.047   0.547
   76    HG   LEU  11           HG       LEU  11  -5.853  -3.103   3.224
   77   HD11  LEU  11          HD11      LEU  11  -8.151  -4.129   3.417
   78   HD12  LEU  11          HD12      LEU  11  -6.829  -5.263   3.692
   79   HD13  LEU  11          HD13      LEU  11  -7.685  -5.266   2.150
   80   HD21  LEU  11          HD21      LEU  11  -4.318  -3.831   1.669
   81   HD22  LEU  11          HD22      LEU  11  -5.562  -4.358   0.534
   82   HD23  LEU  11          HD23      LEU  11  -5.157  -5.361   1.928
   83    H    SER  12           H        SER  12  -6.840  -1.061  -1.083
   84    HA   SER  12           HA       SER  12  -4.592  -2.271  -2.383
   85    HB2  SER  12           HB2      SER  12  -6.942  -1.623  -3.251
   86    HB3  SER  12           HB3      SER  12  -6.270  -0.012  -3.492
   87    HG   SER  12           HG       SER  12  -6.115  -1.449  -5.337
   88    H    SER  13           H        SER  13  -5.267   1.143  -1.548
   89    HA   SER  13           HA       SER  13  -2.870   2.238  -2.728
   90    HB2  SER  13           HB2      SER  13  -5.051   3.384  -1.988
   91    HB3  SER  13           HB3      SER  13  -4.418   3.300  -0.347
   92    HG   SER  13           HG       SER  13  -3.284   4.610  -2.601
   93    H    LEU  14           H        LEU  14  -3.639   0.929   0.489
   94    HA   LEU  14           HA       LEU  14  -1.230   1.734   1.833
   95    HB2  LEU  14           HB2      LEU  14  -3.601   0.150   2.285
   96    HB3  LEU  14           HB3      LEU  14  -2.193  -0.726   2.883
   97    HG   LEU  14           HG       LEU  14  -1.819   1.967   3.660
   98   HD11  LEU  14          HD11      LEU  14  -4.112   2.534   3.380
   99   HD12  LEU  14          HD12      LEU  14  -3.939   2.178   5.099
  100   HD13  LEU  14          HD13      LEU  14  -4.654   0.982   4.019
  101   HD21  LEU  14          HD21      LEU  14  -1.871   1.032   5.883
  102   HD22  LEU  14          HD22      LEU  14  -1.180  -0.195   4.821
  103   HD23  LEU  14          HD23      LEU  14  -2.859  -0.328   5.348
  104    H    THR  15           H        THR  15  -2.073  -1.242   0.018
  105    HA   THR  15           HA       THR  15   0.357  -2.668   0.570
  106    HB   THR  15           HB       THR  15  -2.035  -3.190  -0.637
  107    HG1  THR  15           HG1      THR  15  -1.253  -5.126  -0.493
  108   HG21  THR  15          HG21      THR  15   0.020  -3.115  -2.868
  109   HG22  THR  15          HG22      THR  15  -1.391  -2.066  -2.738
  110   HG23  THR  15          HG23      THR  15  -1.601  -3.798  -2.986
  111    H    VAL  16           H        VAL  16  -0.503  -0.343  -1.998
  112    HA   VAL  16           HA       VAL  16   1.948  -0.626  -3.510
  113    HB   VAL  16           HB       VAL  16  -0.133   1.575  -3.241
  114   HG11  VAL  16          HG11      VAL  16   2.155   1.252  -5.205
  115   HG12  VAL  16          HG12      VAL  16   1.873   2.604  -4.108
  116   HG13  VAL  16          HG13      VAL  16   0.788   2.334  -5.472
  117   HG21  VAL  16          HG21      VAL  16  -0.223   0.362  -5.773
  118   HG22  VAL  16          HG22      VAL  16  -1.364   0.118  -4.450
  119   HG23  VAL  16          HG23      VAL  16   0.008  -0.973  -4.642
  120    H    THR  17           H        THR  17   0.891   1.605  -0.917
  121    HA   THR  17           HA       THR  17   3.257   3.238  -0.855
  122    HB   THR  17           HB       THR  17   1.291   2.495   1.343
  123    HG1  THR  17           HG1      THR  17  -0.019   3.510   0.060
  124   HG21  THR  17          HG21      THR  17   3.179   4.842   1.008
  125   HG22  THR  17          HG22      THR  17   3.238   3.608   2.267
  126   HG23  THR  17          HG23      THR  17   1.905   4.762   2.224
  127    H    GLN  18           H        GLN  18   2.349   0.263   0.911
  128    HA   GLN  18           HA       GLN  18   4.668   0.136   2.590
  129    HB2  GLN  18           HB2      GLN  18   2.492  -1.669   1.649
  130    HB3  GLN  18           HB3      GLN  18   3.909  -2.436   2.365
  131    HG2  GLN  18           HG2      GLN  18   3.669  -0.916   4.344
  132    HG3  GLN  18           HG3      GLN  18   2.174  -0.299   3.640
  133   HE21  GLN  18          HE21      GLN  18   3.593  -2.985   5.386
  134   HE22  GLN  18          HE22      GLN  18   2.166  -3.892   5.535
  135    H    LEU  19           H        LEU  19   4.000  -1.210  -0.611
  136    HA   LEU  19           HA       LEU  19   6.382  -2.741  -0.956
  137    HB2  LEU  19           HB2      LEU  19   4.220  -2.516  -2.387
  138    HB3  LEU  19           HB3      LEU  19   5.031  -1.141  -3.138
  139    HG   LEU  19           HG       LEU  19   7.019  -2.743  -3.503
  140   HD11  LEU  19          HD11      LEU  19   6.230  -5.154  -3.716
  141   HD12  LEU  19          HD12      LEU  19   4.800  -4.680  -2.798
  142   HD13  LEU  19          HD13      LEU  19   6.400  -4.561  -2.064
  143   HD21  LEU  19          HD21      LEU  19   4.383  -3.190  -4.940
  144   HD22  LEU  19          HD22      LEU  19   5.959  -3.683  -5.556
  145   HD23  LEU  19          HD23      LEU  19   5.593  -1.971  -5.339
  146    H    LEU  20           H        LEU  20   5.698   0.704  -1.563
  147    HA   LEU  20           HA       LEU  20   8.260   1.385  -2.687
  148    HB2  LEU  20           HB2      LEU  20   5.888   2.596  -2.502
  149    HB3  LEU  20           HB3      LEU  20   6.626   3.310  -1.067
  150    HG   LEU  20           HG       LEU  20   8.618   3.903  -2.556
  151   HD11  LEU  20          HD11      LEU  20   8.107   4.046  -4.982
  152   HD12  LEU  20          HD12      LEU  20   6.573   3.225  -4.695
  153   HD13  LEU  20          HD13      LEU  20   8.095   2.378  -4.410
  154   HD21  LEU  20          HD21      LEU  20   6.686   5.539  -3.839
  155   HD22  LEU  20          HD22      LEU  20   7.616   5.915  -2.389
  156   HD23  LEU  20          HD23      LEU  20   6.035   5.148  -2.247
  157    H    ARG  21           H        ARG  21   6.980   1.400   0.655
  158    HA   ARG  21           HA       ARG  21   9.293   2.590   1.900
  159    HB2  ARG  21           HB2      ARG  21   6.877   1.013   2.680
  160    HB3  ARG  21           HB3      ARG  21   8.193   1.086   3.853
  161    HG2  ARG  21           HG2      ARG  21   7.424   3.654   2.558
  162    HG3  ARG  21           HG3      ARG  21   6.272   2.976   3.709
  163    HD2  ARG  21           HD2      ARG  21   7.925   2.945   5.471
  164    HD3  ARG  21           HD3      ARG  21   9.221   3.363   4.333
  165    HE   ARG  21           HE       ARG  21   6.958   5.200   5.039
  166   HH11  ARG  21          HH11      ARG  21   9.548   5.876   6.231
  167   HH12  ARG  21          HH12      ARG  21  10.260   6.947   5.071
  168   HH21  ARG  21          HH21      ARG  21   8.114   6.009   2.502
  169   HH22  ARG  21          HH22      ARG  21   9.443   7.021   2.950
  170    H    ARG  22           H        ARG  22   8.382  -0.765   1.143
  171    HA   ARG  22           HA       ARG  22  10.512  -2.106   2.508
  172    HB2  ARG  22           HB2      ARG  22   8.637  -2.652   0.228
  173    HB3  ARG  22           HB3      ARG  22   9.956  -3.784   0.521
  174    HG2  ARG  22           HG2      ARG  22   8.112  -2.877   2.737
  175    HG3  ARG  22           HG3      ARG  22   7.736  -4.269   1.720
  176    HD2  ARG  22           HD2      ARG  22   9.822  -5.371   2.384
  177    HD3  ARG  22           HD3      ARG  22  10.289  -3.952   3.341
  178    HE   ARG  22           HE       ARG  22   8.593  -4.500   4.937
  179   HH11  ARG  22          HH11      ARG  22   9.492  -7.321   4.241
  180   HH12  ARG  22          HH12      ARG  22   7.972  -8.111   3.982
  181   HH21  ARG  22          HH21      ARG  22   6.186  -5.144   3.683
  182   HH22  ARG  22          HH22      ARG  22   6.094  -6.873   3.662
  183    H    LEU  23           H        LEU  23  10.251  -0.958  -0.881
  184    HA   LEU  23           HA       LEU  23  12.828  -1.844  -1.743
  185    HB2  LEU  23           HB2      LEU  23  12.167  -0.848  -3.700
  186    HB3  LEU  23           HB3      LEU  23  10.616  -0.730  -2.878
  187    HG   LEU  23           HG       LEU  23  11.670   1.556  -1.986
  188   HD11  LEU  23          HD11      LEU  23  13.695   0.704  -3.681
  189   HD12  LEU  23          HD12      LEU  23  13.453   2.361  -3.129
  190   HD13  LEU  23          HD13      LEU  23  12.791   1.843  -4.679
  191   HD21  LEU  23          HD21      LEU  23   9.700   0.905  -3.701
  192   HD22  LEU  23          HD22      LEU  23  10.802   1.693  -4.831
  193   HD23  LEU  23          HD23      LEU  23  10.199   2.574  -3.427
  194    H    HIS  24           H        HIS  24  11.802   1.113  -0.059
  195    HA   HIS  24           HA       HIS  24  14.282   2.565  -0.307
  196    HB2  HIS  24           HB2      HIS  24  11.818   3.176   0.503
  197    HB3  HIS  24           HB3      HIS  24  12.481   2.776   2.088
  198    HD1  HIS  24           HD1      HIS  24  15.249   3.924   2.030
  199    HD2  HIS  24           HD2      HIS  24  12.014   5.919   0.314
  200    HE1  HIS  24           HE1      HIS  24  15.897   6.368   1.909
  201    H    GLN  25           H        GLN  25  13.027   0.256   2.107
  202    HA   GLN  25           HA       GLN  25  15.228   0.466   3.959
  203    HB2  GLN  25           HB2      GLN  25  12.762  -0.945   3.641
  204    HB3  GLN  25           HB3      GLN  25  14.017  -2.143   3.958
  205    HG2  GLN  25           HG2      GLN  25  13.583   0.355   5.622
  206    HG3  GLN  25           HG3      GLN  25  12.973  -1.243   6.049
  207   HE21  GLN  25          HE21      GLN  25  14.539  -2.877   6.723
  208   HE22  GLN  25          HE22      GLN  25  16.139  -2.464   7.109
  209    H    TRP  26           H        TRP  26  14.653  -1.512   1.064
  210    HA   TRP  26           HA       TRP  26  16.805  -3.377   1.371
  211    HB2  TRP  26           HB2      TRP  26  15.003  -2.347  -0.742
  212    HB3  TRP  26           HB3      TRP  26  16.527  -3.001  -1.338
  213    HD1  TRP  26           HD1      TRP  26  13.266  -4.002   0.295
  214    HE1  TRP  26           HE1      TRP  26  13.126  -6.575   0.410
  215    HE3  TRP  26           HE3      TRP  26  18.021  -5.210  -1.124
  216    HZ2  TRP  26           HZ2      TRP  26  14.809  -8.843  -0.040
  217    HZ3  TRP  26           HZ3      TRP  26  18.724  -7.582  -1.272
  218    HH2  TRP  26           HH2      TRP  26  17.126  -9.398  -0.732
  219    H    ILE  27           H        ILE  27  16.667  -0.110  -0.046
  220    HA   ILE  27           HA       ILE  27  19.510  -0.159  -0.828
  221    HB   ILE  27           HB       ILE  27  17.224   1.826  -0.913
  222   HG12  ILE  27          HG12      ILE  27  18.523   1.416  -3.409
  223   HG13  ILE  27          HG13      ILE  27  18.329  -0.172  -2.669
  224   HG21  ILE  27          HG21      ILE  27  20.137   2.278  -1.622
  225   HG22  ILE  27          HG22      ILE  27  19.157   3.201  -0.482
  226   HG23  ILE  27          HG23      ILE  27  18.826   3.300  -2.210
  227   HD11  ILE  27          HD11      ILE  27  16.376   1.078  -4.091
  228   HD12  ILE  27          HD12      ILE  27  15.979   1.616  -2.458
  229   HD13  ILE  27          HD13      ILE  27  16.056  -0.108  -2.825
  230    H    SER  28           H        SER  28  17.479   1.555   1.585
  231    HA   SER  28           HA       SER  28  18.048   2.656   3.586
  232    HB2  SER  28           HB2      SER  28  20.096   0.479   3.232
  233    HB3  SER  28           HB3      SER  28  20.230   1.579   4.599
  234    HG   SER  28           HG       SER  28  18.041  -0.093   3.901
  Start of MODEL    8
    1    H1   SER   1           H1       SER   1 -18.740   6.809  -3.399
    2    H2   SER   1           H2       SER   1 -19.697   7.338  -4.698
    3    H3   SER   1           H3       SER   1 -18.671   5.997  -4.885
    4    HA   SER   1           HA       SER   1 -21.001   6.085  -3.030
    5    HB2  SER   1           HB2      SER   1 -21.041   6.103  -5.768
    6    HB3  SER   1           HB3      SER   1 -20.964   4.372  -5.449
    7    HG   SER   1           HG       SER   1 -23.100   5.717  -5.432
    8    H    ASP   2           H        ASP   2 -21.629   3.637  -2.709
    9    HA   ASP   2           HA       ASP   2 -21.045   1.565  -1.755
   10    HB2  ASP   2           HB2      ASP   2 -19.542   2.001  -4.206
   11    HB3  ASP   2           HB3      ASP   2 -18.647   0.962  -3.099
   12    H    ALA   3           H        ALA   3 -20.540   2.679   0.303
   13    HA   ALA   3           HA       ALA   3 -17.975   3.679   1.048
   14    HB1  ALA   3           HB1      ALA   3 -19.990   2.232   2.794
   15    HB2  ALA   3           HB2      ALA   3 -20.205   3.893   2.238
   16    HB3  ALA   3           HB3      ALA   3 -18.852   3.485   3.293
   17    H    ALA   4           H        ALA   4 -19.312   0.368   1.158
   18    HA   ALA   4           HA       ALA   4 -17.162  -0.883   2.581
   19    HB1  ALA   4           HB1      ALA   4 -18.845  -2.102   0.376
   20    HB2  ALA   4           HB2      ALA   4 -19.499  -1.749   1.976
   21    HB3  ALA   4           HB3      ALA   4 -18.183  -2.908   1.798
   22    H    ALA   5           H        ALA   5 -17.694  -0.353  -0.921
   23    HA   ALA   5           HA       ALA   5 -15.343  -1.723  -1.840
   24    HB1  ALA   5           HB1      ALA   5 -16.590   0.708  -3.136
   25    HB2  ALA   5           HB2      ALA   5 -17.443  -0.836  -3.090
   26    HB3  ALA   5           HB3      ALA   5 -15.891  -0.709  -3.919
   27    H    ARG   6           H        ARG   6 -15.906   1.634  -0.773
   28    HA   ARG   6           HA       ARG   6 -13.352   2.702  -1.505
   29    HB2  ARG   6           HB2      ARG   6 -15.622   3.359   0.286
   30    HB3  ARG   6           HB3      ARG   6 -14.083   4.092   0.734
   31    HG2  ARG   6           HG2      ARG   6 -13.873   4.845  -1.691
   32    HG3  ARG   6           HG3      ARG   6 -15.557   4.357  -1.894
   33    HD2  ARG   6           HD2      ARG   6 -16.291   5.937  -0.201
   34    HD3  ARG   6           HD3      ARG   6 -14.612   6.332   0.215
   35    HE   ARG   6           HE       ARG   6 -15.931   7.015  -2.378
   36   HH11  ARG   6          HH11      ARG   6 -15.011   9.110  -0.409
   37   HH12  ARG   6          HH12      ARG   6 -13.493   9.593  -1.086
   38   HH21  ARG   6          HH21      ARG   6 -13.237   6.812  -3.156
   39   HH22  ARG   6          HH22      ARG   6 -12.485   8.288  -2.650
   40    H    VAL   7           H        VAL   7 -14.471   0.929   1.321
   41    HA   VAL   7           HA       VAL   7 -12.125   1.195   2.957
   42    HB   VAL   7           HB       VAL   7 -14.194  -1.025   2.710
   43   HG11  VAL   7          HG11      VAL   7 -12.239  -1.825   3.925
   44   HG12  VAL   7          HG12      VAL   7 -13.542  -1.524   5.074
   45   HG13  VAL   7          HG13      VAL   7 -12.220  -0.367   4.918
   46   HG21  VAL   7          HG21      VAL   7 -14.537   1.629   3.472
   47   HG22  VAL   7          HG22      VAL   7 -14.334   0.788   5.008
   48   HG23  VAL   7          HG23      VAL   7 -15.608   0.293   3.894
   49    H    THR   8           H        THR   8 -13.073  -1.121   0.414
   50    HA   THR   8           HA       THR   8 -10.772  -2.840   0.643
   51    HB   THR   8           HB       THR   8 -12.422  -2.264  -1.829
   52    HG1  THR   8           HG1      THR   8 -13.042  -3.904   0.404
   53   HG21  THR   8          HG21      THR   8 -12.093  -4.782  -2.084
   54   HG22  THR   8          HG22      THR   8 -10.912  -4.664  -0.780
   55   HG23  THR   8          HG23      THR   8 -10.648  -3.791  -2.290
   56    H    ALA   9           H        ALA   9 -11.463   0.088  -1.203
   57    HA   ALA   9           HA       ALA   9  -9.111   0.075  -2.854
   58    HB1  ALA   9           HB1      ALA   9  -9.702   2.643  -2.803
   59    HB2  ALA   9           HB2      ALA   9 -11.112   2.102  -1.893
   60    HB3  ALA   9           HB3      ALA   9 -10.840   1.512  -3.532
   61    H    ILE  10           H        ILE  10  -9.795   1.477   0.318
   62    HA   ILE  10           HA       ILE  10  -7.351   2.878   0.751
   63    HB   ILE  10           HB       ILE  10  -9.280   1.418   2.590
   64   HG12  ILE  10          HG12      ILE  10  -8.886   4.396   2.260
   65   HG13  ILE  10          HG13      ILE  10  -9.952   3.489   1.187
   66   HG21  ILE  10          HG21      ILE  10  -6.890   3.155   3.239
   67   HG22  ILE  10          HG22      ILE  10  -7.273   1.552   3.868
   68   HG23  ILE  10          HG23      ILE  10  -8.230   2.947   4.367
   69   HD11  ILE  10          HD11      ILE  10 -10.970   2.554   3.410
   70   HD12  ILE  10          HD12      ILE  10 -11.422   4.172   2.877
   71   HD13  ILE  10          HD13      ILE  10 -10.213   3.966   4.145
   72    H    LEU  11           H        LEU  11  -8.224  -0.540   1.254
   73    HA   LEU  11           HA       LEU  11  -5.788  -1.407   2.479
   74    HB2  LEU  11           HB2      LEU  11  -7.958  -2.716   0.836
   75    HB3  LEU  11           HB3      LEU  11  -6.607  -3.648   1.478
   76    HG   LEU  11           HG       LEU  11  -8.221  -1.856   3.284
   77   HD11  LEU  11          HD11      LEU  11  -9.463  -4.043   3.863
   78   HD12  LEU  11          HD12      LEU  11  -8.894  -4.631   2.301
   79   HD13  LEU  11          HD13      LEU  11  -9.941  -3.215   2.381
   80   HD21  LEU  11          HD21      LEU  11  -6.061  -2.806   4.067
   81   HD22  LEU  11          HD22      LEU  11  -6.667  -4.427   3.729
   82   HD23  LEU  11          HD23      LEU  11  -7.424  -3.446   4.983
   83    H    SER  12           H        SER  12  -6.804  -1.155  -0.900
   84    HA   SER  12           HA       SER  12  -4.503  -2.376  -2.105
   85    HB2  SER  12           HB2      SER  12  -6.907  -1.073  -2.873
   86    HB3  SER  12           HB3      SER  12  -5.597  -0.219  -3.687
   87    HG   SER  12           HG       SER  12  -6.651  -2.543  -4.326
   88    H    SER  13           H        SER  13  -5.161   0.942  -1.005
   89    HA   SER  13           HA       SER  13  -2.794   2.164  -2.125
   90    HB2  SER  13           HB2      SER  13  -4.368   2.911   0.362
   91    HB3  SER  13           HB3      SER  13  -3.387   3.991  -0.624
   92    HG   SER  13           HG       SER  13  -4.849   3.494  -2.369
   93    H    LEU  14           H        LEU  14  -3.489   0.453   0.906
   94    HA   LEU  14           HA       LEU  14  -1.077   1.113   2.320
   95    HB2  LEU  14           HB2      LEU  14  -3.189  -1.024   2.409
   96    HB3  LEU  14           HB3      LEU  14  -1.749  -1.208   3.409
   97    HG   LEU  14           HG       LEU  14  -3.008   1.472   3.484
   98   HD11  LEU  14          HD11      LEU  14  -4.331  -0.943   4.757
   99   HD12  LEU  14          HD12      LEU  14  -5.002   0.018   3.439
  100   HD13  LEU  14          HD13      LEU  14  -4.782   0.740   5.033
  101   HD21  LEU  14          HD21      LEU  14  -1.133   0.991   4.923
  102   HD22  LEU  14          HD22      LEU  14  -1.887  -0.496   5.499
  103   HD23  LEU  14          HD23      LEU  14  -2.566   1.068   5.950
  104    H    THR  15           H        THR  15  -1.916  -1.663   0.207
  105    HA   THR  15           HA       THR  15   0.644  -2.979   0.454
  106    HB   THR  15           HB       THR  15  -0.201  -4.145  -1.657
  107    HG1  THR  15           HG1      THR  15  -1.550  -2.875  -2.674
  108   HG21  THR  15          HG21      THR  15  -0.722  -4.823   0.737
  109   HG22  THR  15          HG22      THR  15  -1.888  -5.360  -0.473
  110   HG23  THR  15          HG23      THR  15  -2.257  -3.973   0.553
  111    H    VAL  16           H        VAL  16  -0.671  -0.614  -1.881
  112    HA   VAL  16           HA       VAL  16   1.479  -0.612  -3.753
  113    HB   VAL  16           HB       VAL  16  -0.497   1.474  -2.780
  114   HG11  VAL  16          HG11      VAL  16   1.278   2.816  -3.624
  115   HG12  VAL  16          HG12      VAL  16   0.150   2.661  -4.971
  116   HG13  VAL  16          HG13      VAL  16   1.617   1.683  -4.933
  117   HG21  VAL  16          HG21      VAL  16  -1.821   0.778  -4.538
  118   HG22  VAL  16          HG22      VAL  16  -0.957  -0.731  -4.241
  119   HG23  VAL  16          HG23      VAL  16  -0.439   0.341  -5.544
  120    H    THR  17           H        THR  17   0.989   1.379  -0.806
  121    HA   THR  17           HA       THR  17   3.490   2.797  -0.960
  122    HB   THR  17           HB       THR  17   1.728   2.055   1.405
  123    HG1  THR  17           HG1      THR  17   0.451   3.496   0.613
  124   HG21  THR  17          HG21      THR  17   4.137   3.771   1.096
  125   HG22  THR  17          HG22      THR  17   3.552   2.896   2.511
  126   HG23  THR  17          HG23      THR  17   2.817   4.434   2.061
  127    H    GLN  18           H        GLN  18   2.525  -0.278   0.576
  128    HA   GLN  18           HA       GLN  18   4.906  -0.822   2.025
  129    HB2  GLN  18           HB2      GLN  18   2.487  -2.134   1.231
  130    HB3  GLN  18           HB3      GLN  18   3.830  -3.227   0.905
  131    HG2  GLN  18           HG2      GLN  18   3.495  -3.756   3.119
  132    HG3  GLN  18           HG3      GLN  18   4.580  -2.385   3.343
  133   HE21  GLN  18          HE21      GLN  18   1.148  -3.364   3.460
  134   HE22  GLN  18          HE22      GLN  18   0.626  -2.016   4.350
  135    H    LEU  19           H        LEU  19   4.066  -1.470  -1.349
  136    HA   LEU  19           HA       LEU  19   6.393  -2.935  -2.122
  137    HB2  LEU  19           HB2      LEU  19   4.078  -2.065  -3.299
  138    HB3  LEU  19           HB3      LEU  19   5.245  -0.967  -4.034
  139    HG   LEU  19           HG       LEU  19   4.953  -3.015  -5.391
  140   HD11  LEU  19          HD11      LEU  19   7.676  -3.139  -4.095
  141   HD12  LEU  19          HD12      LEU  19   7.200  -1.777  -5.108
  142   HD13  LEU  19          HD13      LEU  19   7.253  -3.404  -5.787
  143   HD21  LEU  19          HD21      LEU  19   6.332  -4.637  -3.286
  144   HD22  LEU  19          HD22      LEU  19   5.232  -5.159  -4.562
  145   HD23  LEU  19          HD23      LEU  19   4.597  -4.366  -3.121
  146    H    LEU  20           H        LEU  20   5.706   0.576  -2.197
  147    HA   LEU  20           HA       LEU  20   8.335   1.404  -3.076
  148    HB2  LEU  20           HB2      LEU  20   5.879   2.552  -2.768
  149    HB3  LEU  20           HB3      LEU  20   6.693   3.173  -1.332
  150    HG   LEU  20           HG       LEU  20   8.181   3.287  -3.921
  151   HD11  LEU  20          HD11      LEU  20   5.997   5.253  -3.161
  152   HD12  LEU  20          HD12      LEU  20   5.889   4.086  -4.479
  153   HD13  LEU  20          HD13      LEU  20   7.081   5.383  -4.546
  154   HD21  LEU  20          HD21      LEU  20   9.205   4.029  -1.802
  155   HD22  LEU  20          HD22      LEU  20   7.875   5.160  -1.550
  156   HD23  LEU  20          HD23      LEU  20   8.988   5.393  -2.899
  157    H    ARG  21           H        ARG  21   6.805   0.927   0.103
  158    HA   ARG  21           HA       ARG  21   8.824   1.982   1.801
  159    HB2  ARG  21           HB2      ARG  21   6.528   1.264   2.440
  160    HB3  ARG  21           HB3      ARG  21   6.987  -0.415   2.160
  161    HG2  ARG  21           HG2      ARG  21   8.883   0.022   3.867
  162    HG3  ARG  21           HG3      ARG  21   7.960   1.459   4.314
  163    HD2  ARG  21           HD2      ARG  21   5.955  -0.006   4.704
  164    HD3  ARG  21           HD3      ARG  21   6.988  -1.420   4.406
  165    HE   ARG  21           HE       ARG  21   8.469  -0.425   6.284
  166   HH11  ARG  21          HH21      ARG  21   6.863   1.938   6.949
  167   HH12  ARG  21          HH22      ARG  21   5.836   1.378   8.228
  168   HH21  ARG  21          HH11      ARG  21   6.363  -1.985   7.529
  169   HH22  ARG  21          HH12      ARG  21   5.554  -0.852   8.557
  170    H    ARG  22           H        ARG  22   8.550  -1.194   0.198
  171    HA   ARG  22           HA       ARG  22  10.684  -2.561   1.513
  172    HB2  ARG  22           HB2      ARG  22   9.016  -2.793  -0.870
  173    HB3  ARG  22           HB3      ARG  22  10.656  -3.358  -1.186
  174    HG2  ARG  22           HG2      ARG  22  10.202  -5.266  -0.095
  175    HG3  ARG  22           HG3      ARG  22   9.898  -4.344   1.378
  176    HD2  ARG  22           HD2      ARG  22   7.556  -3.871   0.196
  177    HD3  ARG  22           HD3      ARG  22   7.942  -5.389  -0.637
  178    HE   ARG  22           HE       ARG  22   8.174  -5.255   2.336
  179   HH11  ARG  22          HH11      ARG  22   5.352  -5.605   1.611
  180   HH12  ARG  22          HH12      ARG  22   5.193  -7.320   1.438
  181   HH21  ARG  22          HH21      ARG  22   8.616  -7.875   1.183
  182   HH22  ARG  22          HH22      ARG  22   7.050  -8.613   1.196
  183    H    LEU  23           H        LEU  23  10.670  -0.417  -1.340
  184    HA   LEU  23           HA       LEU  23  13.445  -0.627  -2.016
  185    HB2  LEU  23           HB2      LEU  23  11.759   0.321  -3.501
  186    HB3  LEU  23           HB3      LEU  23  11.381   1.583  -2.331
  187    HG   LEU  23           HG       LEU  23  14.211   1.610  -2.870
  188   HD11  LEU  23          HD11      LEU  23  13.464   0.537  -5.023
  189   HD12  LEU  23          HD12      LEU  23  14.215   2.118  -5.238
  190   HD13  LEU  23          HD13      LEU  23  12.461   1.957  -5.321
  191   HD21  LEU  23          HD21      LEU  23  12.897   3.505  -2.018
  192   HD22  LEU  23          HD22      LEU  23  11.955   3.541  -3.509
  193   HD23  LEU  23          HD23      LEU  23  13.672   3.944  -3.540
  194    H    HIS  24           H        HIS  24  11.682   1.555   0.203
  195    HA   HIS  24           HA       HIS  24  13.922   3.203   0.943
  196    HB2  HIS  24           HB2      HIS  24  11.266   2.462   2.182
  197    HB3  HIS  24           HB3      HIS  24  12.380   3.555   3.002
  198    HD1  HIS  24           HD1      HIS  24  13.347   5.492   1.105
  199    HD2  HIS  24           HD2      HIS  24   9.516   3.919   0.643
  200    HE1  HIS  24           HE1      HIS  24  12.073   7.126  -0.353
  201    H    GLN  25           H        GLN  25  12.592   0.183   2.317
  202    HA   GLN  25           HA       GLN  25  14.255   0.014   4.636
  203    HB2  GLN  25           HB2      GLN  25  12.521  -1.711   2.989
  204    HB3  GLN  25           HB3      GLN  25  13.813  -2.592   3.804
  205    HG2  GLN  25           HG2      GLN  25  12.284  -0.576   5.398
  206    HG3  GLN  25           HG3      GLN  25  11.488  -2.103   5.020
  207   HE21  GLN  25          HE21      GLN  25  14.203  -0.654   6.785
  208   HE22  GLN  25          HE22      GLN  25  14.598  -2.047   7.670
  209    H    TRP  26           H        TRP  26  14.796  -0.963   1.262
  210    HA   TRP  26           HA       TRP  26  17.315  -2.328   1.705
  211    HB2  TRP  26           HB2      TRP  26  15.560  -1.470  -0.493
  212    HB3  TRP  26           HB3      TRP  26  17.269  -1.400  -0.918
  213    HD1  TRP  26           HD1      TRP  26  14.442  -3.780  -0.436
  214    HE1  TRP  26           HE1      TRP  26  15.268  -6.206  -0.722
  215    HE3  TRP  26           HE3      TRP  26  19.491  -3.000  -0.425
  216    HZ2  TRP  26           HZ2      TRP  26  17.744  -7.626  -0.919
  217    HZ3  TRP  26           HZ3      TRP  26  21.057  -4.905  -0.664
  218    HH2  TRP  26           HH2      TRP  26  20.191  -7.215  -0.911
  219    H    ILE  27           H        ILE  27  16.427   1.009   0.790
  220    HA   ILE  27           HA       ILE  27  19.140   1.937   0.367
  221    HB   ILE  27           HB       ILE  27  16.502   3.321   0.960
  222   HG12  ILE  27          HG12      ILE  27  17.955   3.298  -1.675
  223   HG13  ILE  27          HG13      ILE  27  16.984   1.902  -1.207
  224   HG21  ILE  27          HG21      ILE  27  18.289   4.844   1.562
  225   HG22  ILE  27          HG22      ILE  27  17.651   5.344  -0.004
  226   HG23  ILE  27          HG23      ILE  27  19.174   4.459   0.086
  227   HD11  ILE  27          HD11      ILE  27  15.544   3.364  -2.461
  228   HD12  ILE  27          HD12      ILE  27  16.049   4.765  -1.516
  229   HD13  ILE  27          HD13      ILE  27  15.069   3.502  -0.768
  230    H    SER  28           H        SER  28  16.879   2.146   3.140
  231    HA   SER  28           HA       SER  28  17.274   2.588   5.420
  232    HB2  SER  28           HB2      SER  28  18.895   0.693   4.874
  233    HB3  SER  28           HB3      SER  28  20.147   1.919   4.708
  234    HG   SER  28           HG       SER  28  19.769   2.518   6.851
  Start of MODEL    9
    1    H1   SER   1           H1       SER   1 -23.301   3.431  -6.674
    2    H2   SER   1           H2       SER   1 -22.932   1.870  -6.111
    3    H3   SER   1           H3       SER   1 -21.811   2.720  -7.062
    4    HA   SER   1           HA       SER   1 -21.636   4.420  -5.276
    5    HB2  SER   1           HB2      SER   1 -23.692   2.521  -4.219
    6    HB3  SER   1           HB3      SER   1 -22.609   3.280  -3.056
    7    HG   SER   1           HG       SER   1 -24.568   4.475  -3.544
    8    H    ASP   2           H        ASP   2 -21.863   0.940  -4.390
    9    HA   ASP   2           HA       ASP   2 -20.221  -0.565  -3.633
   10    HB2  ASP   2           HB2      ASP   2 -18.761   1.297  -5.508
   11    HB3  ASP   2           HB3      ASP   2 -17.920  -0.039  -4.724
   12    H    ALA   3           H        ALA   3 -20.760   0.824  -1.516
   13    HA   ALA   3           HA       ALA   3 -18.723   2.625  -0.512
   14    HB1  ALA   3           HB1      ALA   3 -19.975   2.373   1.576
   15    HB2  ALA   3           HB2      ALA   3 -20.751   0.913   0.965
   16    HB3  ALA   3           HB3      ALA   3 -21.114   2.477   0.234
   17    H    ALA   4           H        ALA   4 -19.425  -0.843   0.068
   18    HA   ALA   4           HA       ALA   4 -17.261  -1.352   1.878
   19    HB1  ALA   4           HB1      ALA   4 -17.788  -3.671   1.403
   20    HB2  ALA   4           HB2      ALA   4 -18.525  -3.236  -0.139
   21    HB3  ALA   4           HB3      ALA   4 -19.302  -2.768   1.373
   22    H    ALA   5           H        ALA   5 -17.478  -1.547  -1.687
   23    HA   ALA   5           HA       ALA   5 -14.879  -2.656  -2.166
   24    HB1  ALA   5           HB1      ALA   5 -16.910  -2.316  -3.728
   25    HB2  ALA   5           HB2      ALA   5 -15.319  -2.011  -4.426
   26    HB3  ALA   5           HB3      ALA   5 -16.332  -0.660  -3.920
   27    H    ARG   6           H        ARG   6 -16.000   0.701  -1.734
   28    HA   ARG   6           HA       ARG   6 -13.545   2.018  -2.393
   29    HB2  ARG   6           HB2      ARG   6 -16.082   2.587  -0.968
   30    HB3  ARG   6           HB3      ARG   6 -14.723   3.616  -0.513
   31    HG2  ARG   6           HG2      ARG   6 -14.375   3.807  -3.118
   32    HG3  ARG   6           HG3      ARG   6 -16.073   3.333  -3.179
   33    HD2  ARG   6           HD2      ARG   6 -15.765   5.343  -1.142
   34    HD3  ARG   6           HD3      ARG   6 -15.030   5.929  -2.647
   35    HE   ARG   6           HE       ARG   6 -17.160   5.587  -3.776
   36   HH11  ARG   6          HH21      ARG   6 -17.695   6.904  -0.955
   37   HH12  ARG   6          HH22      ARG   6 -19.170   6.095  -0.544
   38   HH21  ARG   6          HH11      ARG   6 -18.840   3.674  -3.020
   39   HH22  ARG   6          HH12      ARG   6 -19.819   4.259  -1.715
   40    H    VAL   7           H        VAL   7 -14.761   0.603   0.594
   41    HA   VAL   7           HA       VAL   7 -12.665   1.474   2.356
   42    HB   VAL   7           HB       VAL   7 -14.409  -1.024   2.351
   43   HG11  VAL   7          HG11      VAL   7 -13.995  -0.784   4.894
   44   HG12  VAL   7          HG12      VAL   7 -12.624   0.229   4.439
   45   HG13  VAL   7          HG13      VAL   7 -12.688  -1.454   3.916
   46   HG21  VAL   7          HG21      VAL   7 -15.423   0.653   4.253
   47   HG22  VAL   7          HG22      VAL   7 -16.019   0.579   2.596
   48   HG23  VAL   7          HG23      VAL   7 -14.854   1.819   3.059
   49    H    THR   8           H        THR   8 -13.037  -1.365   0.223
   50    HA   THR   8           HA       THR   8 -10.581  -2.672   0.986
   51    HB   THR   8           HB       THR   8 -12.090  -2.790  -1.642
   52    HG1  THR   8           HG1      THR   8 -13.630  -3.704  -0.574
   53   HG21  THR   8          HG21      THR   8 -10.554  -4.961  -0.198
   54   HG22  THR   8          HG22      THR   8  -9.835  -3.937  -1.442
   55   HG23  THR   8          HG23      THR   8 -11.183  -5.001  -1.845
   56    H    ALA   9           H        ALA   9 -11.422  -0.270  -1.461
   57    HA   ALA   9           HA       ALA   9  -8.942  -0.269  -2.898
   58    HB1  ALA   9           HB1      ALA   9  -9.826   1.712  -3.898
   59    HB2  ALA   9           HB2      ALA   9 -10.756   2.106  -2.453
   60    HB3  ALA   9           HB3      ALA   9 -11.242   0.751  -3.472
   61    H    ILE  10           H        ILE  10 -10.059   1.596  -0.107
   62    HA   ILE  10           HA       ILE  10  -7.807   3.336   0.171
   63    HB   ILE  10           HB       ILE  10  -9.782   2.104   2.123
   64   HG12  ILE  10          HG12      ILE  10 -10.731   3.647   0.460
   65   HG13  ILE  10          HG13      ILE  10 -10.763   4.386   2.059
   66   HG21  ILE  10          HG21      ILE  10  -8.999   4.146   3.560
   67   HG22  ILE  10          HG22      ILE  10  -7.527   4.040   2.594
   68   HG23  ILE  10          HG23      ILE  10  -8.037   2.668   3.579
   69   HD11  ILE  10          HD11      ILE  10  -9.885   6.131   0.803
   70   HD12  ILE  10          HD12      ILE  10  -9.038   5.049  -0.301
   71   HD13  ILE  10          HD13      ILE  10  -8.401   5.331   1.319
   72    H    LEU  11           H        LEU  11  -8.436   0.051   1.403
   73    HA   LEU  11           HA       LEU  11  -5.994  -0.243   2.894
   74    HB2  LEU  11           HB2      LEU  11  -8.279  -1.591   2.765
   75    HB3  LEU  11           HB3      LEU  11  -7.393  -2.539   1.572
   76    HG   LEU  11           HG       LEU  11  -6.032  -1.929   4.164
   77   HD11  LEU  11          HD11      LEU  11  -8.184  -4.036   3.801
   78   HD12  LEU  11          HD12      LEU  11  -8.254  -2.651   4.891
   79   HD13  LEU  11          HD13      LEU  11  -7.087  -3.942   5.178
   80   HD21  LEU  11          HD21      LEU  11  -5.997  -4.028   2.021
   81   HD22  LEU  11          HD22      LEU  11  -5.457  -4.469   3.641
   82   HD23  LEU  11          HD23      LEU  11  -4.649  -3.169   2.765
   83    H    SER  12           H        SER  12  -6.896  -0.982  -0.447
   84    HA   SER  12           HA       SER  12  -4.543  -2.375  -1.264
   85    HB2  SER  12           HB2      SER  12  -6.807  -1.998  -2.439
   86    HB3  SER  12           HB3      SER  12  -6.149  -0.451  -2.962
   87    HG   SER  12           HG       SER  12  -4.480  -1.563  -3.993
   88    H    SER  13           H        SER  13  -5.281   1.126  -1.227
   89    HA   SER  13           HA       SER  13  -2.861   2.021  -2.487
   90    HB2  SER  13           HB2      SER  13  -5.185   3.150  -1.707
   91    HB3  SER  13           HB3      SER  13  -4.171   3.650  -0.356
   92    HG   SER  13           HG       SER  13  -2.797   4.653  -1.784
   93    H    LEU  14           H        LEU  14  -3.710   1.447   0.936
   94    HA   LEU  14           HA       LEU  14  -1.316   2.425   2.142
   95    HB2  LEU  14           HB2      LEU  14  -3.695   1.150   2.889
   96    HB3  LEU  14           HB3      LEU  14  -2.436   0.018   3.376
   97    HG   LEU  14           HG       LEU  14  -2.874   1.555   5.214
   98   HD11  LEU  14          HD11      LEU  14  -0.493   0.846   4.650
   99   HD12  LEU  14          HD12      LEU  14  -0.638   2.306   5.628
  100   HD13  LEU  14          HD13      LEU  14  -0.288   2.432   3.905
  101   HD21  LEU  14          HD21      LEU  14  -3.741   3.389   3.666
  102   HD22  LEU  14          HD22      LEU  14  -2.054   3.817   3.375
  103   HD23  LEU  14          HD23      LEU  14  -2.727   3.936   5.000
  104    H    THR  15           H        THR  15  -2.156  -0.824   0.914
  105    HA   THR  15           HA       THR  15   0.241  -2.194   1.602
  106    HB   THR  15           HB       THR  15  -1.472  -2.557  -0.879
  107    HG1  THR  15           HG1      THR  15  -3.005  -3.188   0.395
  108   HG21  THR  15          HG21      THR  15   0.565  -3.941  -0.788
  109   HG22  THR  15          HG22      THR  15  -0.880  -4.933  -0.588
  110   HG23  THR  15          HG23      THR  15   0.105  -4.516   0.815
  111    H    VAL  16           H        VAL  16  -0.561  -0.251  -1.289
  112    HA   VAL  16           HA       VAL  16   1.833  -0.758  -2.779
  113    HB   VAL  16           HB       VAL  16  -0.003   1.664  -2.662
  114   HG11  VAL  16          HG11      VAL  16   1.941   2.365  -3.834
  115   HG12  VAL  16          HG12      VAL  16   0.811   1.876  -5.098
  116   HG13  VAL  16          HG13      VAL  16   2.126   0.799  -4.625
  117   HG21  VAL  16          HG21      VAL  16  -0.243  -0.139  -4.946
  118   HG22  VAL  16          HG22      VAL  16  -1.496   0.455  -3.856
  119   HG23  VAL  16          HG23      VAL  16  -0.553  -0.971  -3.423
  120    H    THR  17           H        THR  17   1.027   1.814  -0.416
  121    HA   THR  17           HA       THR  17   3.498   3.259  -0.593
  122    HB   THR  17           HB       THR  17   1.713   2.900   1.837
  123    HG1  THR  17           HG1      THR  17   0.215   3.881   0.768
  124   HG21  THR  17          HG21      THR  17   3.695   4.197   2.307
  125   HG22  THR  17          HG22      THR  17   2.339   5.316   2.170
  126   HG23  THR  17          HG23      THR  17   3.480   5.145   0.835
  127    H    GLN  18           H        GLN  18   2.480   0.536   1.487
  128    HA   GLN  18           HA       GLN  18   4.845   0.414   3.103
  129    HB2  GLN  18           HB2      GLN  18   2.585  -1.399   2.337
  130    HB3  GLN  18           HB3      GLN  18   3.955  -2.087   3.210
  131    HG2  GLN  18           HG2      GLN  18   3.227   0.393   4.462
  132    HG3  GLN  18           HG3      GLN  18   1.775  -0.590   4.277
  133   HE21  GLN  18          HE21      GLN  18   5.236  -1.199   5.175
  134   HE22  GLN  18          HE22      GLN  18   4.860  -2.204   6.490
  135    H    LEU  19           H        LEU  19   3.954  -1.244   0.105
  136    HA   LEU  19           HA       LEU  19   6.251  -2.900  -0.196
  137    HB2  LEU  19           HB2      LEU  19   3.995  -1.962  -1.743
  138    HB3  LEU  19           HB3      LEU  19   5.444  -1.931  -2.748
  139    HG   LEU  19           HG       LEU  19   5.779  -4.330  -1.536
  140   HD11  LEU  19          HD11      LEU  19   3.652  -5.483  -1.365
  141   HD12  LEU  19          HD12      LEU  19   2.786  -4.051  -1.921
  142   HD13  LEU  19          HD13      LEU  19   3.582  -4.044  -0.348
  143   HD21  LEU  19          HD21      LEU  19   4.749  -5.307  -3.614
  144   HD22  LEU  19          HD22      LEU  19   5.878  -3.991  -3.939
  145   HD23  LEU  19          HD23      LEU  19   4.140  -3.700  -4.010
  146    H    LEU  20           H        LEU  20   5.698   0.506  -1.076
  147    HA   LEU  20           HA       LEU  20   8.199   0.951  -2.431
  148    HB2  LEU  20           HB2      LEU  20   5.871   2.422  -1.496
  149    HB3  LEU  20           HB3      LEU  20   7.343   3.341  -1.191
  150    HG   LEU  20           HG       LEU  20   6.363   3.810  -3.438
  151   HD11  LEU  20          HD11      LEU  20   8.522   3.244  -4.727
  152   HD12  LEU  20          HD12      LEU  20   9.082   2.510  -3.225
  153   HD13  LEU  20          HD13      LEU  20   8.691   4.229  -3.274
  154   HD21  LEU  20          HD21      LEU  20   6.092   2.163  -5.067
  155   HD22  LEU  20          HD22      LEU  20   5.660   1.269  -3.609
  156   HD23  LEU  20          HD23      LEU  20   7.265   1.081  -4.316
  157    H    ARG  21           H        ARG  21   7.188   1.246   0.988
  158    HA   ARG  21           HA       ARG  21   9.571   2.451   2.020
  159    HB2  ARG  21           HB2      ARG  21   7.187   1.883   3.021
  160    HB3  ARG  21           HB3      ARG  21   7.975   0.387   3.523
  161    HG2  ARG  21           HG2      ARG  21   9.760   2.501   4.157
  162    HG3  ARG  21           HG3      ARG  21   8.163   3.000   4.715
  163    HD2  ARG  21           HD2      ARG  21   7.921   0.796   5.884
  164    HD3  ARG  21           HD3      ARG  21   9.590   0.408   5.413
  165    HE   ARG  21           HE       ARG  21   8.795   2.601   7.268
  166   HH11  ARG  21          HH11      ARG  21  11.138   3.494   5.729
  167   HH12  ARG  21          HH12      ARG  21  12.473   2.859   6.631
  168   HH21  ARG  21          HH21      ARG  21  10.531   0.581   8.398
  169   HH22  ARG  21          HH22      ARG  21  12.128   1.201   8.147
  170    H    ARG  22           H        ARG  22   8.651  -0.982   1.620
  171    HA   ARG  22           HA       ARG  22  11.086  -2.099   2.697
  172    HB2  ARG  22           HB2      ARG  22   8.597  -2.934   1.507
  173    HB3  ARG  22           HB3      ARG  22   9.918  -3.816   0.744
  174    HG2  ARG  22           HG2      ARG  22  10.712  -4.000   3.314
  175    HG3  ARG  22           HG3      ARG  22   8.970  -3.890   3.564
  176    HD2  ARG  22           HD2      ARG  22   9.610  -6.252   3.331
  177    HD3  ARG  22           HD3      ARG  22   8.673  -5.766   1.904
  178    HE   ARG  22           HE       ARG  22  10.646  -5.960   0.604
  179   HH11  ARG  22          HH11      ARG  22  11.692  -8.088   2.306
  180   HH12  ARG  22          HH12      ARG  22  13.218  -7.470   2.843
  181   HH21  ARG  22          HH21      ARG  22  12.474  -4.179   2.001
  182   HH22  ARG  22          HH22      ARG  22  13.662  -5.246   2.669
  183    H    LEU  23           H        LEU  23  10.064  -1.133  -0.567
  184    HA   LEU  23           HA       LEU  23  12.277  -2.219  -2.033
  185    HB2  LEU  23           HB2      LEU  23  10.031  -1.351  -2.856
  186    HB3  LEU  23           HB3      LEU  23  10.659   0.279  -2.621
  187    HG   LEU  23           HG       LEU  23  12.643  -0.482  -4.099
  188   HD11  LEU  23          HD11      LEU  23  11.971  -2.281  -5.726
  189   HD12  LEU  23          HD12      LEU  23  10.586  -2.631  -4.691
  190   HD13  LEU  23          HD13      LEU  23  12.224  -2.871  -4.083
  191   HD21  LEU  23          HD21      LEU  23  10.631   1.024  -4.708
  192   HD22  LEU  23          HD22      LEU  23   9.976  -0.399  -5.518
  193   HD23  LEU  23          HD23      LEU  23  11.516   0.282  -6.041
  194    H    HIS  24           H        HIS  24  11.732   1.050  -0.653
  195    HA   HIS  24           HA       HIS  24  14.201   2.221  -1.506
  196    HB2  HIS  24           HB2      HIS  24  12.044   2.729   0.470
  197    HB3  HIS  24           HB3      HIS  24  13.583   3.516   0.818
  198    HD1  HIS  24           HD1      HIS  24  10.562   4.093  -0.988
  199    HD2  HIS  24           HD2      HIS  24  14.583   4.872  -1.762
  200    HE1  HIS  24           HE1      HIS  24  10.613   5.867  -2.793
  201    H    GLN  25           H        GLN  25  13.364   0.382   1.442
  202    HA   GLN  25           HA       GLN  25  15.811   0.745   2.874
  203    HB2  GLN  25           HB2      GLN  25  13.388  -0.731   3.061
  204    HB3  GLN  25           HB3      GLN  25  14.698  -1.901   3.217
  205    HG2  GLN  25           HG2      GLN  25  14.976   0.651   4.735
  206    HG3  GLN  25           HG3      GLN  25  13.778  -0.504   5.319
  207   HE21  GLN  25          HE21      GLN  25  14.555  -2.294   6.503
  208   HE22  GLN  25          HE22      GLN  25  16.198  -2.689   6.658
  209    H    TRP  26           H        TRP  26  14.874  -1.614   0.373
  210    HA   TRP  26           HA       TRP  26  17.270  -3.217   0.501
  211    HB2  TRP  26           HB2      TRP  26  14.797  -3.092  -0.913
  212    HB3  TRP  26           HB3      TRP  26  16.075  -3.140  -2.123
  213    HD1  TRP  26           HD1      TRP  26  18.154  -4.955  -0.576
  214    HE1  TRP  26           HE1      TRP  26  17.658  -7.463  -0.249
  215    HE3  TRP  26           HE3      TRP  26  13.081  -4.938  -1.178
  216    HZ2  TRP  26           HZ2      TRP  26  15.408  -9.231  -0.245
  217    HZ3  TRP  26           HZ3      TRP  26  11.789  -7.049  -1.010
  218    HH2  TRP  26           HH2      TRP  26  12.945  -9.191  -0.545
  219    H    ILE  27           H        ILE  27  16.495  -0.158  -1.074
  220    HA   ILE  27           HA       ILE  27  18.836  -0.241  -2.860
  221    HB   ILE  27           HB       ILE  27  16.876   1.969  -2.144
  222   HG12  ILE  27          HG12      ILE  27  15.674   0.105  -3.115
  223   HG13  ILE  27          HG13      ILE  27  15.847   1.336  -4.362
  224   HG21  ILE  27          HG21      ILE  27  17.610   2.889  -4.375
  225   HG22  ILE  27          HG22      ILE  27  18.887   1.672  -4.392
  226   HG23  ILE  27          HG23      ILE  27  18.867   2.912  -3.138
  227   HD11  ILE  27          HD11      ILE  27  17.963   0.071  -5.088
  228   HD12  ILE  27          HD12      ILE  27  16.418  -0.708  -5.433
  229   HD13  ILE  27          HD13      ILE  27  17.390  -1.244  -4.063
  230    H    SER  28           H        SER  28  17.826   1.800  -0.070
  231    HA   SER  28           HA       SER  28  20.724   2.179   0.586
  232    HB2  SER  28           HB2      SER  28  18.575   4.318   0.450
  233    HB3  SER  28           HB3      SER  28  20.253   4.580   0.913
  234    HG   SER  28           HG       SER  28  20.835   3.821  -1.186
  Start of MODEL   10
    1    H1   SER   1           H1       SER   1 -24.364   0.692  -6.799
    2    H2   SER   1           H2       SER   1 -23.415  -0.665  -7.186
    3    H3   SER   1           H3       SER   1 -22.703   0.876  -7.094
    4    HA   SER   1           HA       SER   1 -23.213   0.967  -4.700
    5    HB2  SER   1           HB2      SER   1 -24.157  -1.861  -5.281
    6    HB3  SER   1           HB3      SER   1 -24.113  -1.102  -3.692
    7    HG   SER   1           HG       SER   1 -26.181  -0.945  -4.651
    8    H    ASP   2           H        ASP   2 -21.056   1.039  -4.153
    9    HA   ASP   2           HA       ASP   2 -19.489  -1.488  -4.198
   10    HB2  ASP   2           HB2      ASP   2 -19.287  -0.143  -6.383
   11    HB3  ASP   2           HB3      ASP   2 -18.436   1.071  -5.428
   12    H    ALA   3           H        ALA   3 -20.438  -0.264  -1.897
   13    HA   ALA   3           HA       ALA   3 -18.572   1.675  -0.784
   14    HB1  ALA   3           HB1      ALA   3 -20.931   1.485  -0.109
   15    HB2  ALA   3           HB2      ALA   3 -19.879   1.210   1.280
   16    HB3  ALA   3           HB3      ALA   3 -20.643  -0.157   0.469
   17    H    ALA   4           H        ALA   4 -19.112  -1.833  -0.229
   18    HA   ALA   4           HA       ALA   4 -17.059  -2.240   1.700
   19    HB1  ALA   4           HB1      ALA   4 -17.995  -4.172  -0.443
   20    HB2  ALA   4           HB2      ALA   4 -18.948  -3.773   0.987
   21    HB3  ALA   4           HB3      ALA   4 -17.386  -4.573   1.162
   22    H    ALA   5           H        ALA   5 -16.914  -2.687  -1.867
   23    HA   ALA   5           HA       ALA   5 -14.141  -3.424  -1.962
   24    HB1  ALA   5           HB1      ALA   5 -14.481  -3.350  -4.270
   25    HB2  ALA   5           HB2      ALA   5 -15.508  -1.922  -4.173
   26    HB3  ALA   5           HB3      ALA   5 -16.143  -3.497  -3.700
   27    H    ARG   6           H        ARG   6 -15.777  -0.257  -2.074
   28    HA   ARG   6           HA       ARG   6 -13.515   1.339  -2.781
   29    HB2  ARG   6           HB2      ARG   6 -15.728   2.264  -2.854
   30    HB3  ARG   6           HB3      ARG   6 -16.043   1.807  -1.183
   31    HG2  ARG   6           HG2      ARG   6 -13.695   3.533  -1.422
   32    HG3  ARG   6           HG3      ARG   6 -15.152   4.299  -2.055
   33    HD2  ARG   6           HD2      ARG   6 -16.332   3.955   0.037
   34    HD3  ARG   6           HD3      ARG   6 -15.003   2.965   0.674
   35    HE   ARG   6           HE       ARG   6 -13.902   5.460  -0.131
   36   HH11  ARG   6          HH11      ARG   6 -16.383   6.570   1.070
   37   HH12  ARG   6          HH12      ARG   6 -15.962   6.723   2.743
   38   HH21  ARG   6          HH21      ARG   6 -13.219   4.595   2.515
   39   HH22  ARG   6          HH22      ARG   6 -14.161   5.602   3.564
   40    H    VAL   7           H        VAL   7 -14.672   0.143   0.327
   41    HA   VAL   7           HA       VAL   7 -12.779   1.527   2.004
   42    HB   VAL   7           HB       VAL   7 -14.279  -1.104   2.309
   43   HG11  VAL   7          HG11      VAL   7 -12.510  -1.137   3.919
   44   HG12  VAL   7          HG12      VAL   7 -13.945  -0.598   4.790
   45   HG13  VAL   7          HG13      VAL   7 -12.726   0.574   4.292
   46   HG21  VAL   7          HG21      VAL   7 -16.092   0.176   2.705
   47   HG22  VAL   7          HG22      VAL   7 -15.151   1.603   2.273
   48   HG23  VAL   7          HG23      VAL   7 -15.219   1.068   3.952
   49    H    THR   8           H        THR   8 -12.739  -1.619   0.320
   50    HA   THR   8           HA       THR   8 -10.199  -2.517   1.344
   51    HB   THR   8           HB       THR   8 -11.672  -3.155  -1.232
   52    HG1  THR   8           HG1      THR   8 -12.993  -4.131   0.051
   53   HG21  THR   8          HG21      THR   8  -9.253  -4.272   0.096
   54   HG22  THR   8          HG22      THR   8  -9.665  -4.201  -1.617
   55   HG23  THR   8          HG23      THR   8 -10.393  -5.432  -0.587
   56    H    ALA   9           H        ALA   9 -11.162  -0.563  -1.435
   57    HA   ALA   9           HA       ALA   9  -8.626  -0.497  -2.773
   58    HB1  ALA   9           HB1      ALA   9 -10.995   0.206  -3.543
   59    HB2  ALA   9           HB2      ALA   9  -9.650   1.217  -4.071
   60    HB3  ALA   9           HB3      ALA   9 -10.663   1.731  -2.723
   61    H    ILE  10           H        ILE  10 -10.037   1.550  -0.263
   62    HA   ILE  10           HA       ILE  10  -7.960   3.530  -0.146
   63    HB   ILE  10           HB       ILE  10  -9.959   2.410   1.846
   64   HG12  ILE  10          HG12      ILE  10 -10.872   3.668  -0.075
   65   HG13  ILE  10          HG13      ILE  10 -11.105   4.559   1.427
   66   HG21  ILE  10          HG21      ILE  10  -9.424   4.617   3.093
   67   HG22  ILE  10          HG22      ILE  10  -7.915   4.604   2.182
   68   HG23  ILE  10          HG23      ILE  10  -8.294   3.276   3.279
   69   HD11  ILE  10          HD11      ILE  10  -9.631   5.341  -0.940
   70   HD12  ILE  10          HD12      ILE  10  -8.576   5.355   0.473
   71   HD13  ILE  10          HD13      ILE  10 -10.058   6.309   0.470
   72    H    LEU  11           H        LEU  11  -8.408   0.394   1.479
   73    HA   LEU  11           HA       LEU  11  -6.033   0.499   3.104
   74    HB2  LEU  11           HB2      LEU  11  -8.254  -1.105   2.843
   75    HB3  LEU  11           HB3      LEU  11  -6.991  -2.130   2.167
   76    HG   LEU  11           HG       LEU  11  -7.221  -2.517   4.587
   77   HD11  LEU  11          HD11      LEU  11  -4.934  -2.434   3.323
   78   HD12  LEU  11          HD12      LEU  11  -4.931  -2.495   5.085
   79   HD13  LEU  11          HD13      LEU  11  -4.665  -0.962   4.257
   80   HD21  LEU  11          HD21      LEU  11  -6.328   0.350   4.975
   81   HD22  LEU  11          HD22      LEU  11  -6.886  -0.785   6.203
   82   HD23  LEU  11          HD23      LEU  11  -8.025  -0.131   5.027
   83    H    SER  12           H        SER  12  -6.731  -0.757  -0.125
   84    HA   SER  12           HA       SER  12  -4.246  -2.050  -0.668
   85    HB2  SER  12           HB2      SER  12  -6.417  -0.739  -2.290
   86    HB3  SER  12           HB3      SER  12  -4.981  -1.364  -3.094
   87    HG   SER  12           HG       SER  12  -6.993  -2.709  -1.678
   88    H    SER  13           H        SER  13  -5.251   1.351  -1.105
   89    HA   SER  13           HA       SER  13  -2.911   2.303  -2.447
   90    HB2  SER  13           HB2      SER  13  -5.259   3.356  -1.898
   91    HB3  SER  13           HB3      SER  13  -4.466   3.910  -0.426
   92    HG   SER  13           HG       SER  13  -4.396   5.302  -2.402
   93    H    LEU  14           H        LEU  14  -3.692   2.022   1.028
   94    HA   LEU  14           HA       LEU  14  -1.314   3.256   2.057
   95    HB2  LEU  14           HB2      LEU  14  -3.536   1.525   2.988
   96    HB3  LEU  14           HB3      LEU  14  -2.062   1.425   3.951
   97    HG   LEU  14           HG       LEU  14  -2.207   4.102   3.675
   98   HD11  LEU  14          HD11      LEU  14  -4.563   4.804   3.897
   99   HD12  LEU  14          HD12      LEU  14  -5.084   3.134   3.679
  100   HD13  LEU  14          HD13      LEU  14  -4.293   3.990   2.357
  101   HD21  LEU  14          HD21      LEU  14  -3.241   4.132   5.915
  102   HD22  LEU  14          HD22      LEU  14  -2.056   2.832   5.796
  103   HD23  LEU  14          HD23      LEU  14  -3.779   2.466   5.695
  104    H    THR  15           H        THR  15  -2.091  -0.149   1.278
  105    HA   THR  15           HA       THR  15   0.344  -1.338   2.186
  106    HB   THR  15           HB       THR  15  -1.405  -2.133  -0.168
  107    HG1  THR  15           HG1      THR  15  -2.872  -2.624   1.241
  108   HG21  THR  15          HG21      THR  15  -0.711  -4.416   0.440
  109   HG22  THR  15          HG22      THR  15   0.286  -3.769   1.743
  110   HG23  THR  15          HG23      THR  15   0.692  -3.416   0.064
  111    H    VAL  16           H        VAL  16  -0.544   0.071  -0.981
  112    HA   VAL  16           HA       VAL  16   1.838  -0.593  -2.410
  113    HB   VAL  16           HB       VAL  16  -0.076   1.762  -2.601
  114   HG11  VAL  16          HG11      VAL  16   1.814   2.448  -3.843
  115   HG12  VAL  16          HG12      VAL  16   0.770   1.700  -5.052
  116   HG13  VAL  16          HG13      VAL  16   2.149   0.811  -4.406
  117   HG21  VAL  16          HG21      VAL  16  -0.187  -0.303  -4.665
  118   HG22  VAL  16          HG22      VAL  16  -1.487   0.349  -3.666
  119   HG23  VAL  16          HG23      VAL  16  -0.481  -0.966  -3.058
  120    H    THR  17           H        THR  17   1.031   2.289  -0.434
  121    HA   THR  17           HA       THR  17   3.440   3.757  -0.853
  122    HB   THR  17           HB       THR  17   1.714   3.571   1.644
  123    HG1  THR  17           HG1      THR  17   0.239   4.484   0.491
  124   HG21  THR  17          HG21      THR  17   3.213   5.963   0.567
  125   HG22  THR  17          HG22      THR  17   3.934   4.843   1.723
  126   HG23  THR  17          HG23      THR  17   2.493   5.758   2.164
  127    H    GLN  18           H        GLN  18   2.613   1.295   1.610
  128    HA   GLN  18           HA       GLN  18   5.130   1.373   3.000
  129    HB2  GLN  18           HB2      GLN  18   2.736  -0.387   2.797
  130    HB3  GLN  18           HB3      GLN  18   4.193  -1.113   3.476
  131    HG2  GLN  18           HG2      GLN  18   4.253   0.380   5.282
  132    HG3  GLN  18           HG3      GLN  18   3.261   1.578   4.450
  133   HE21  GLN  18          HE21      GLN  18   0.901   0.889   4.059
  134   HE22  GLN  18          HE22      GLN  18   0.167  -0.103   5.226
  135    H    LEU  19           H        LEU  19   3.908  -0.647   0.368
  136    HA   LEU  19           HA       LEU  19   6.086  -2.433   0.065
  137    HB2  LEU  19           HB2      LEU  19   3.784  -1.468  -1.445
  138    HB3  LEU  19           HB3      LEU  19   5.148  -1.793  -2.512
  139    HG   LEU  19           HG       LEU  19   3.679  -3.789  -2.158
  140   HD11  LEU  19          HD11      LEU  19   6.473  -4.065  -1.007
  141   HD12  LEU  19          HD12      LEU  19   6.088  -4.015  -2.727
  142   HD13  LEU  19          HD13      LEU  19   5.513  -5.353  -1.734
  143   HD21  LEU  19          HD21      LEU  19   3.364  -3.048   0.359
  144   HD22  LEU  19          HD22      LEU  19   4.815  -4.016   0.615
  145   HD23  LEU  19          HD23      LEU  19   3.366  -4.760  -0.061
  146    H    LEU  20           H        LEU  20   5.640   0.880  -1.169
  147    HA   LEU  20           HA       LEU  20   8.036   1.003  -2.764
  148    HB2  LEU  20           HB2      LEU  20   6.258   3.028  -1.376
  149    HB3  LEU  20           HB3      LEU  20   7.626   3.517  -2.375
  150    HG   LEU  20           HG       LEU  20   5.660   1.554  -3.502
  151   HD11  LEU  20          HD11      LEU  20   4.219   3.364  -4.276
  152   HD12  LEU  20          HD12      LEU  20   5.241   4.559  -3.477
  153   HD13  LEU  20          HD13      LEU  20   4.309   3.412  -2.515
  154   HD21  LEU  20          HD21      LEU  20   6.322   2.622  -5.592
  155   HD22  LEU  20          HD22      LEU  20   7.774   2.213  -4.680
  156   HD23  LEU  20          HD23      LEU  20   7.193   3.878  -4.713
  157    H    ARG  21           H        ARG  21   7.331   1.831   0.646
  158    HA   ARG  21           HA       ARG  21   9.958   2.867   1.264
  159    HB2  ARG  21           HB2      ARG  21   7.667   3.084   2.476
  160    HB3  ARG  21           HB3      ARG  21   8.059   1.521   3.194
  161    HG2  ARG  21           HG2      ARG  21   9.153   2.729   4.773
  162    HG3  ARG  21           HG3      ARG  21  10.407   2.918   3.548
  163    HD2  ARG  21           HD2      ARG  21  10.054   5.157   3.653
  164    HD3  ARG  21           HD3      ARG  21   8.452   4.878   2.946
  165    HE   ARG  21           HE       ARG  21   7.942   4.260   5.527
  166   HH11  ARG  21          HH21      ARG  21   7.051   6.914   4.643
  167   HH12  ARG  21          HH22      ARG  21   7.908   7.993   5.691
  168   HH21  ARG  21          HH11      ARG  21  10.237   5.604   6.671
  169   HH22  ARG  21          HH12      ARG  21   9.722   7.248   6.844
  170    H    ARG  22           H        ARG  22   8.426  -0.337   1.753
  171    HA   ARG  22           HA       ARG  22  10.688  -1.621   2.968
  172    HB2  ARG  22           HB2      ARG  22   8.079  -2.309   1.782
  173    HB3  ARG  22           HB3      ARG  22   9.279  -3.592   1.634
  174    HG2  ARG  22           HG2      ARG  22   9.284  -2.330   4.282
  175    HG3  ARG  22           HG3      ARG  22   7.742  -3.088   3.884
  176    HD2  ARG  22           HD2      ARG  22   8.779  -5.221   3.502
  177    HD3  ARG  22           HD3      ARG  22  10.404  -4.506   3.544
  178    HE   ARG  22           HE       ARG  22  10.172  -4.192   5.932
  179   HH11  ARG  22          HH11      ARG  22   9.187  -7.018   5.695
  180   HH12  ARG  22          HH12      ARG  22   7.707  -6.964   6.592
  181   HH21  ARG  22          HH21      ARG  22   7.505  -3.492   6.544
  182   HH22  ARG  22          HH22      ARG  22   6.749  -4.957   7.076
  183    H    LEU  23           H        LEU  23   9.600  -1.467  -0.446
  184    HA   LEU  23           HA       LEU  23  11.646  -3.110  -1.575
  185    HB2  LEU  23           HB2      LEU  23   9.488  -2.222  -2.605
  186    HB3  LEU  23           HB3      LEU  23  10.328  -0.688  -2.834
  187    HG   LEU  23           HG       LEU  23  12.160  -2.145  -3.997
  188   HD11  LEU  23          HD11      LEU  23  11.480  -4.351  -3.551
  189   HD12  LEU  23          HD12      LEU  23  10.910  -4.093  -5.198
  190   HD13  LEU  23          HD13      LEU  23   9.780  -3.988  -3.848
  191   HD21  LEU  23          HD21      LEU  23   9.509  -1.907  -5.436
  192   HD22  LEU  23          HD22      LEU  23  11.130  -1.734  -6.107
  193   HD23  LEU  23          HD23      LEU  23  10.484  -0.493  -5.034
  194    H    HIS  24           H        HIS  24  11.568   0.393  -0.873
  195    HA   HIS  24           HA       HIS  24  14.075   1.073  -2.108
  196    HB2  HIS  24           HB2      HIS  24  12.283   2.656  -1.411
  197    HB3  HIS  24           HB3      HIS  24  12.626   2.283   0.278
  198    HD1  HIS  24           HD1      HIS  24  14.950   3.083   1.231
  199    HD2  HIS  24           HD2      HIS  24  14.115   4.425  -2.627
  200    HE1  HIS  24           HE1      HIS  24  16.611   4.932   0.740
  201    H    GLN  25           H        GLN  25  13.233   0.051   1.217
  202    HA   GLN  25           HA       GLN  25  15.838   0.319   2.380
  203    HB2  GLN  25           HB2      GLN  25  13.552  -0.064   3.469
  204    HB3  GLN  25           HB3      GLN  25  13.731  -1.763   3.030
  205    HG2  GLN  25           HG2      GLN  25  16.168  -1.183   4.209
  206    HG3  GLN  25           HG3      GLN  25  15.033  -0.246   5.180
  207   HE21  GLN  25          HE21      GLN  25  16.523  -3.100   5.374
  208   HE22  GLN  25          HE22      GLN  25  15.294  -4.073   6.023
  209    H    TRP  26           H        TRP  26  14.317  -2.294   0.516
  210    HA   TRP  26           HA       TRP  26  16.384  -4.274   0.940
  211    HB2  TRP  26           HB2      TRP  26  14.118  -4.845   0.259
  212    HB3  TRP  26           HB3      TRP  26  14.256  -3.845  -1.185
  213    HD1  TRP  26           HD1      TRP  26  15.473  -7.144   0.312
  214    HE1  TRP  26           HE1      TRP  26  16.417  -8.615  -1.585
  215    HE3  TRP  26           HE3      TRP  26  15.312  -3.812  -3.554
  216    HZ2  TRP  26           HZ2      TRP  26  17.023  -8.405  -4.372
  217    HZ3  TRP  26           HZ3      TRP  26  16.078  -4.472  -5.816
  218    HH2  TRP  26           HH2      TRP  26  16.932  -6.762  -6.230
  219    H    ILE  27           H        ILE  27  15.869  -1.722  -1.491
  220    HA   ILE  27           HA       ILE  27  18.083  -2.590  -3.188
  221    HB   ILE  27           HB       ILE  27  15.826  -1.094  -3.509
  222   HG12  ILE  27          HG12      ILE  27  18.101  -0.422  -5.318
  223   HG13  ILE  27          HG13      ILE  27  17.695  -2.128  -5.132
  224   HG21  ILE  27          HG21      ILE  27  16.854   0.814  -2.247
  225   HG22  ILE  27          HG22      ILE  27  16.418   1.229  -3.904
  226   HG23  ILE  27          HG23      ILE  27  18.102   0.911  -3.487
  227   HD11  ILE  27          HD11      ILE  27  15.326  -1.594  -5.691
  228   HD12  ILE  27          HD12      ILE  27  16.432  -1.187  -7.003
  229   HD13  ILE  27          HD13      ILE  27  15.793   0.085  -5.962
  230    H    SER  28           H        SER  28  17.708  -0.347  -0.481
  231    HA   SER  28           HA       SER  28  20.643  -0.043  -0.324
  232    HB2  SER  28           HB2      SER  28  18.747   2.007  -1.330
  233    HB3  SER  28           HB3      SER  28  19.931   2.584  -0.161
  234    HG   SER  28           HG       SER  28  20.560   1.037  -2.463
  Start of MODEL   11
    1    H1   SER   1           H1       SER   1 -22.418  -5.611   1.186
    2    H2   SER   1           H2       SER   1 -21.465  -4.916  -0.038
    3    H3   SER   1           H3       SER   1 -23.117  -4.531   0.079
    4    HA   SER   1           HA       SER   1 -22.795  -3.317   2.091
    5    HB2  SER   1           HB2      SER   1 -19.967  -4.405   1.897
    6    HB3  SER   1           HB3      SER   1 -20.585  -3.376   3.186
    7    HG   SER   1           HG       SER   1 -20.762  -5.470   3.890
    8    H    ASP   2           H        ASP   2 -22.060  -1.109   2.046
    9    HA   ASP   2           HA       ASP   2 -20.985  -0.249  -0.601
   10    HB2  ASP   2           HB2      ASP   2 -22.485   1.080   1.670
   11    HB3  ASP   2           HB3      ASP   2 -21.828   1.998   0.315
   12    H    ALA   3           H        ALA   3 -20.575   0.720   2.838
   13    HA   ALA   3           HA       ALA   3 -18.163   2.201   2.468
   14    HB1  ALA   3           HB1      ALA   3 -19.513   2.465   4.435
   15    HB2  ALA   3           HB2      ALA   3 -17.984   1.773   4.978
   16    HB3  ALA   3           HB3      ALA   3 -19.407   0.745   4.814
   17    H    ALA   4           H        ALA   4 -18.703  -1.269   2.979
   18    HA   ALA   4           HA       ALA   4 -16.094  -2.086   3.748
   19    HB1  ALA   4           HB1      ALA   4 -18.133  -3.486   3.747
   20    HB2  ALA   4           HB2      ALA   4 -16.834  -4.270   2.848
   21    HB3  ALA   4           HB3      ALA   4 -18.144  -3.466   1.984
   22    H    ALA   5           H        ALA   5 -17.442  -1.548   0.476
   23    HA   ALA   5           HA       ALA   5 -15.139  -2.473  -0.984
   24    HB1  ALA   5           HB1      ALA   5 -17.438  -2.160  -1.891
   25    HB2  ALA   5           HB2      ALA   5 -16.240  -1.283  -2.845
   26    HB3  ALA   5           HB3      ALA   5 -17.260  -0.415  -1.697
   27    H    ARG   6           H        ARG   6 -16.093   0.767   0.204
   28    HA   ARG   6           HA       ARG   6 -13.919   2.217  -0.967
   29    HB2  ARG   6           HB2      ARG   6 -15.572   2.633   1.543
   30    HB3  ARG   6           HB3      ARG   6 -14.480   3.851   0.888
   31    HG2  ARG   6           HG2      ARG   6 -16.708   2.603  -0.742
   32    HG3  ARG   6           HG3      ARG   6 -16.917   4.087   0.187
   33    HD2  ARG   6           HD2      ARG   6 -16.034   5.253  -1.542
   34    HD3  ARG   6           HD3      ARG   6 -14.508   4.374  -1.324
   35    HE   ARG   6           HE       ARG   6 -15.368   2.643  -2.866
   36   HH11  ARG   6          HH11      ARG   6 -18.262   2.992  -2.737
   37   HH12  ARG   6          HH12      ARG   6 -18.630   3.908  -4.158
   38   HH21  ARG   6          HH21      ARG   6 -15.346   4.943  -4.648
   39   HH22  ARG   6          HH22      ARG   6 -16.970   5.019  -5.246
   40    H    VAL   7           H        VAL   7 -14.218   0.387   2.022
   41    HA   VAL   7           HA       VAL   7 -11.711   1.133   3.224
   42    HB   VAL   7           HB       VAL   7 -13.427  -1.377   3.384
   43   HG11  VAL   7          HG11      VAL   7 -11.075  -0.447   5.049
   44   HG12  VAL   7          HG12      VAL   7 -11.261  -1.985   4.207
   45   HG13  VAL   7          HG13      VAL   7 -12.244  -1.634   5.629
   46   HG21  VAL   7          HG21      VAL   7 -14.683  -0.283   4.945
   47   HG22  VAL   7          HG22      VAL   7 -14.053   1.170   4.171
   48   HG23  VAL   7          HG23      VAL   7 -13.284   0.545   5.630
   49    H    THR   8           H        THR   8 -12.663  -1.423   0.917
   50    HA   THR   8           HA       THR   8 -10.099  -2.727   0.777
   51    HB   THR   8           HB       THR   8 -12.387  -2.516  -1.205
   52    HG1  THR   8           HG1      THR   8 -13.333  -3.773   0.162
   53   HG21  THR   8          HG21      THR   8 -11.318  -4.922  -1.699
   54   HG22  THR   8          HG22      THR   8  -9.858  -4.094  -1.159
   55   HG23  THR   8          HG23      THR   8 -10.769  -3.469  -2.533
   56    H    ALA   9           H        ALA   9 -11.548  -0.025  -0.983
   57    HA   ALA   9           HA       ALA   9  -9.530   0.246  -3.006
   58    HB1  ALA   9           HB1      ALA   9 -10.589   2.371  -3.403
   59    HB2  ALA   9           HB2      ALA   9 -11.181   2.447  -1.744
   60    HB3  ALA   9           HB3      ALA   9 -11.865   1.277  -2.871
   61    H    ILE  10           H        ILE  10  -9.854   1.619   0.232
   62    HA   ILE  10           HA       ILE  10  -7.563   3.349   0.184
   63    HB   ILE  10           HB       ILE  10  -8.973   1.809   2.398
   64   HG12  ILE  10          HG12      ILE  10  -9.119   4.776   1.893
   65   HG13  ILE  10          HG13      ILE  10 -10.121   3.674   0.948
   66   HG21  ILE  10          HG21      ILE  10  -6.832   2.349   3.295
   67   HG22  ILE  10          HG22      ILE  10  -7.906   3.627   3.862
   68   HG23  ILE  10          HG23      ILE  10  -6.817   3.928   2.509
   69   HD11  ILE  10          HD11      ILE  10 -10.217   4.285   3.875
   70   HD12  ILE  10          HD12      ILE  10 -10.672   2.666   3.344
   71   HD13  ILE  10          HD13      ILE  10 -11.542   4.072   2.732
   72    H    LEU  11           H        LEU  11  -7.996  -0.079   1.013
   73    HA   LEU  11           HA       LEU  11  -5.315  -0.640   1.856
   74    HB2  LEU  11           HB2      LEU  11  -7.446  -1.979   2.203
   75    HB3  LEU  11           HB3      LEU  11  -7.303  -2.490   0.522
   76    HG   LEU  11           HG       LEU  11  -4.766  -2.851   1.833
   77   HD11  LEU  11          HD11      LEU  11  -6.995  -4.436   3.119
   78   HD12  LEU  11          HD12      LEU  11  -6.369  -2.955   3.845
   79   HD13  LEU  11          HD13      LEU  11  -5.303  -4.339   3.605
   80   HD21  LEU  11          HD21      LEU  11  -6.771  -4.921   0.884
   81   HD22  LEU  11          HD22      LEU  11  -5.020  -5.103   0.993
   82   HD23  LEU  11          HD23      LEU  11  -5.718  -4.013  -0.204
   83    H    SER  12           H        SER  12  -6.915  -0.769  -1.300
   84    HA   SER  12           HA       SER  12  -4.848  -2.009  -2.823
   85    HB2  SER  12           HB2      SER  12  -7.016   0.010  -3.427
   86    HB3  SER  12           HB3      SER  12  -5.968  -0.618  -4.693
   87    HG   SER  12           HG       SER  12  -8.047  -1.806  -3.368
   88    H    SER  13           H        SER  13  -5.431   1.455  -2.115
   89    HA   SER  13           HA       SER  13  -3.161   2.488  -3.556
   90    HB2  SER  13           HB2      SER  13  -5.270   3.626  -2.506
   91    HB3  SER  13           HB3      SER  13  -4.325   3.659  -1.020
   92    HG   SER  13           HG       SER  13  -3.735   4.855  -3.525
   93    H    LEU  14           H        LEU  14  -3.596   1.237  -0.260
   94    HA   LEU  14           HA       LEU  14  -1.051   1.989   0.824
   95    HB2  LEU  14           HB2      LEU  14  -3.346   0.293   1.452
   96    HB3  LEU  14           HB3      LEU  14  -1.836  -0.434   1.995
   97    HG   LEU  14           HG       LEU  14  -1.301   1.933   2.938
   98   HD11  LEU  14          HD11      LEU  14  -3.333   2.905   1.712
   99   HD12  LEU  14          HD12      LEU  14  -3.162   3.347   3.410
  100   HD13  LEU  14          HD13      LEU  14  -4.321   2.106   2.936
  101   HD21  LEU  14          HD21      LEU  14  -1.758  -0.061   4.323
  102   HD22  LEU  14          HD22      LEU  14  -3.492   0.220   4.157
  103   HD23  LEU  14          HD23      LEU  14  -2.490   1.378   5.032
  104    H    THR  15           H        THR  15  -2.100  -0.826  -1.104
  105    HA   THR  15           HA       THR  15   0.174  -2.497  -0.834
  106    HB   THR  15           HB       THR  15  -1.452  -1.994  -3.351
  107    HG1  THR  15           HG1      THR  15  -2.040  -3.597  -1.082
  108   HG21  THR  15          HG21      THR  15   0.034  -4.391  -2.253
  109   HG22  THR  15          HG22      THR  15   0.374  -3.510  -3.743
  110   HG23  THR  15          HG23      THR  15  -1.091  -4.481  -3.607
  111    H    VAL  16           H        VAL  16  -0.415   0.146  -3.191
  112    HA   VAL  16           HA       VAL  16   2.099  -0.058  -4.562
  113    HB   VAL  16           HB       VAL  16  -0.026   2.052  -4.152
  114   HG11  VAL  16          HG11      VAL  16   2.646   2.381  -5.541
  115   HG12  VAL  16          HG12      VAL  16   1.919   3.429  -4.321
  116   HG13  VAL  16          HG13      VAL  16   1.243   3.370  -5.949
  117   HG21  VAL  16          HG21      VAL  16  -0.281   1.707  -6.604
  118   HG22  VAL  16          HG22      VAL  16  -0.479   0.205  -5.702
  119   HG23  VAL  16          HG23      VAL  16   1.028   0.527  -6.559
  120    H    THR  17           H        THR  17   1.055   1.977  -1.799
  121    HA   THR  17           HA       THR  17   3.580   3.313  -1.410
  122    HB   THR  17           HB       THR  17   1.476   2.643   0.674
  123    HG1  THR  17           HG1      THR  17   0.153   3.869  -0.378
  124   HG21  THR  17          HG21      THR  17   3.242   5.079   0.302
  125   HG22  THR  17          HG22      THR  17   3.574   3.763   1.431
  126   HG23  THR  17          HG23      THR  17   2.145   4.774   1.649
  127    H    GLN  18           H        GLN  18   2.188   0.302  -0.104
  128    HA   GLN  18           HA       GLN  18   4.161  -0.327   1.839
  129    HB2  GLN  18           HB2      GLN  18   2.036  -1.662   0.304
  130    HB3  GLN  18           HB3      GLN  18   3.344  -2.750   0.763
  131    HG2  GLN  18           HG2      GLN  18   2.701  -2.750   2.926
  132    HG3  GLN  18           HG3      GLN  18   2.606  -0.990   2.965
  133   HE21  GLN  18          HE21      GLN  18   0.719  -3.602   1.288
  134   HE22  GLN  18          HE22      GLN  18  -0.795  -2.982   1.739
  135    H    LEU  19           H        LEU  19   4.070  -0.984  -1.635
  136    HA   LEU  19           HA       LEU  19   6.414  -2.581  -1.884
  137    HB2  LEU  19           HB2      LEU  19   4.524  -1.721  -3.558
  138    HB3  LEU  19           HB3      LEU  19   5.715  -0.468  -3.905
  139    HG   LEU  19           HG       LEU  19   6.506  -3.376  -3.902
  140   HD11  LEU  19          HD11      LEU  19   6.068  -3.436  -6.322
  141   HD12  LEU  19          HD12      LEU  19   5.387  -1.810  -6.247
  142   HD13  LEU  19          HD13      LEU  19   4.574  -3.146  -5.432
  143   HD21  LEU  19          HD21      LEU  19   7.662  -0.769  -4.673
  144   HD22  LEU  19          HD22      LEU  19   7.903  -2.050  -5.861
  145   HD23  LEU  19          HD23      LEU  19   8.472  -2.264  -4.206
  146    H    LEU  20           H        LEU  20   5.978   0.953  -1.823
  147    HA   LEU  20           HA       LEU  20   8.720   1.692  -2.278
  148    HB2  LEU  20           HB2      LEU  20   6.290   2.941  -2.078
  149    HB3  LEU  20           HB3      LEU  20   7.025   3.396  -0.541
  150    HG   LEU  20           HG       LEU  20   8.608   3.635  -3.087
  151   HD11  LEU  20          HD11      LEU  20   6.367   4.791  -3.353
  152   HD12  LEU  20          HD12      LEU  20   7.766   5.858  -3.462
  153   HD13  LEU  20          HD13      LEU  20   6.810   5.808  -1.982
  154   HD21  LEU  20          HD21      LEU  20   8.641   4.803  -0.310
  155   HD22  LEU  20          HD22      LEU  20   9.429   5.659  -1.636
  156   HD23  LEU  20          HD23      LEU  20   9.952   4.031  -1.204
  157    H    ARG  21           H        ARG  21   6.839   1.049   0.702
  158    HA   ARG  21           HA       ARG  21   8.808   1.797   2.628
  159    HB2  ARG  21           HB2      ARG  21   6.335   1.142   2.895
  160    HB3  ARG  21           HB3      ARG  21   6.882  -0.534   2.835
  161    HG2  ARG  21           HG2      ARG  21   8.569   0.226   4.693
  162    HG3  ARG  21           HG3      ARG  21   7.439   1.561   4.921
  163    HD2  ARG  21           HD2      ARG  21   6.521  -0.001   6.391
  164    HD3  ARG  21           HD3      ARG  21   5.651  -0.439   4.907
  165    HE   ARG  21           HE       ARG  21   8.245  -1.777   5.568
  166   HH11  ARG  21          HH21      ARG  21   5.126  -2.348   6.416
  167   HH12  ARG  21          HH22      ARG  21   4.928  -3.829   5.541
  168   HH21  ARG  21          HH11      ARG  21   7.892  -3.477   3.753
  169   HH22  ARG  21          HH12      ARG  21   6.501  -4.471   4.030
  170    H    ARG  22           H        ARG  22   8.287  -1.262   0.871
  171    HA   ARG  22           HA       ARG  22  10.258  -2.872   2.179
  172    HB2  ARG  22           HB2      ARG  22   8.368  -3.243   0.302
  173    HB3  ARG  22           HB3      ARG  22   9.758  -3.089  -0.765
  174    HG2  ARG  22           HG2      ARG  22  10.200  -4.844   1.572
  175    HG3  ARG  22           HG3      ARG  22   8.996  -5.433   0.426
  176    HD2  ARG  22           HD2      ARG  22  11.683  -4.418  -0.529
  177    HD3  ARG  22           HD3      ARG  22  11.454  -6.105  -0.029
  178    HE   ARG  22           HE       ARG  22   9.583  -4.918  -2.032
  179   HH11  ARG  22          HH11      ARG  22   9.354  -7.794  -1.433
  180   HH12  ARG  22          HH12      ARG  22  10.310  -8.530  -2.675
  181   HH21  ARG  22          HH21      ARG  22  11.969  -5.589  -3.502
  182   HH22  ARG  22          HH22      ARG  22  11.798  -7.276  -3.852
  183    H    LEU  23           H        LEU  23  10.448  -0.911  -0.800
  184    HA   LEU  23           HA       LEU  23  13.196  -1.308  -1.417
  185    HB2  LEU  23           HB2      LEU  23  11.366  -0.220  -2.795
  186    HB3  LEU  23           HB3      LEU  23  11.548   1.216  -1.788
  187    HG   LEU  23           HG       LEU  23  14.056   1.100  -2.411
  188   HD11  LEU  23          HD11      LEU  23  14.157  -1.104  -3.369
  189   HD12  LEU  23          HD12      LEU  23  14.383   0.038  -4.694
  190   HD13  LEU  23          HD13      LEU  23  12.823  -0.752  -4.466
  191   HD21  LEU  23          HD21      LEU  23  12.423   2.785  -3.272
  192   HD22  LEU  23          HD22      LEU  23  12.038   1.692  -4.600
  193   HD23  LEU  23          HD23      LEU  23  13.658   2.373  -4.461
  194    H    HIS  24           H        HIS  24  11.633   1.119   0.693
  195    HA   HIS  24           HA       HIS  24  13.924   2.679   1.352
  196    HB2  HIS  24           HB2      HIS  24  11.277   2.006   2.595
  197    HB3  HIS  24           HB3      HIS  24  12.456   2.878   3.572
  198    HD1  HIS  24           HD1      HIS  24  10.380   4.739   3.235
  199    HD2  HIS  24           HD2      HIS  24  12.913   4.036  -0.003
  200    HE1  HIS  24           HE1      HIS  24  10.119   6.717   1.677
  201    H    GLN  25           H        GLN  25  12.632  -0.301   2.842
  202    HA   GLN  25           HA       GLN  25  14.522  -0.465   5.005
  203    HB2  GLN  25           HB2      GLN  25  12.276  -1.671   4.601
  204    HB3  GLN  25           HB3      GLN  25  13.192  -2.780   3.580
  205    HG2  GLN  25           HG2      GLN  25  14.746  -3.163   5.535
  206    HG3  GLN  25           HG3      GLN  25  13.627  -2.229   6.528
  207   HE21  GLN  25          HE21      GLN  25  11.414  -3.134   6.826
  208   HE22  GLN  25          HE22      GLN  25  11.140  -4.792   6.602
  209    H    TRP  26           H        TRP  26  14.575  -1.685   1.652
  210    HA   TRP  26           HA       TRP  26  16.934  -3.304   1.868
  211    HB2  TRP  26           HB2      TRP  26  15.245  -3.302   0.017
  212    HB3  TRP  26           HB3      TRP  26  15.856  -1.729  -0.496
  213    HD1  TRP  26           HD1      TRP  26  17.325  -2.049  -2.539
  214    HE1  TRP  26           HE1      TRP  26  19.168  -3.704  -3.253
  215    HE3  TRP  26           HE3      TRP  26  17.233  -5.249   1.442
  216    HZ2  TRP  26           HZ2      TRP  26  20.437  -6.071  -2.267
  217    HZ3  TRP  26           HZ3      TRP  26  18.767  -7.191   1.529
  218    HH2  TRP  26           HH2      TRP  26  20.369  -7.606  -0.319
  219    H    ILE  27           H        ILE  27  16.460   0.174   1.432
  220    HA   ILE  27           HA       ILE  27  19.252   0.718   0.730
  221    HB   ILE  27           HB       ILE  27  16.926   2.469   1.604
  222   HG12  ILE  27          HG12      ILE  27  18.019   2.331  -1.186
  223   HG13  ILE  27          HG13      ILE  27  16.967   1.029  -0.633
  224   HG21  ILE  27          HG21      ILE  27  18.263   4.308   0.562
  225   HG22  ILE  27          HG22      ILE  27  19.611   3.185   0.383
  226   HG23  ILE  27          HG23      ILE  27  19.038   3.627   1.992
  227   HD11  ILE  27          HD11      ILE  27  15.651   2.805  -1.718
  228   HD12  ILE  27          HD12      ILE  27  16.295   3.986  -0.576
  229   HD13  ILE  27          HD13      ILE  27  15.247   2.687  -0.005
  230    H    SER  28           H        SER  28  17.265   0.796   3.690
  231    HA   SER  28           HA       SER  28  19.349   2.045   5.319
  232    HB2  SER  28           HB2      SER  28  17.722   1.337   7.158
  233    HB3  SER  28           HB3      SER  28  17.047   2.376   5.909
  234    HG   SER  28           HG       SER  28  16.940  -0.444   5.696
  Start of MODEL   12
    1    H1   SER   1           H1       SER   1 -22.322  -0.389  -1.680
    2    H2   SER   1           H2       SER   1 -23.083  -1.550  -0.700
    3    H3   SER   1           H3       SER   1 -21.402  -1.605  -0.937
    4    HA   SER   1           HA       SER   1 -22.934   0.450   0.575
    5    HB2  SER   1           HB2      SER   1 -20.886  -0.635   2.108
    6    HB3  SER   1           HB3      SER   1 -22.576  -1.116   2.180
    7    HG   SER   1           HG       SER   1 -21.016  -2.844   1.793
    8    H    ASP   2           H        ASP   2 -22.037   2.451   0.448
    9    HA   ASP   2           HA       ASP   2 -19.682   3.102  -1.020
   10    HB2  ASP   2           HB2      ASP   2 -21.283   4.528   1.125
   11    HB3  ASP   2           HB3      ASP   2 -19.993   5.314   0.214
   12    H    ALA   3           H        ALA   3 -20.170   2.881   2.535
   13    HA   ALA   3           HA       ALA   3 -17.528   3.554   3.346
   14    HB1  ALA   3           HB1      ALA   3 -19.395   3.422   4.887
   15    HB2  ALA   3           HB2      ALA   3 -18.198   2.232   5.397
   16    HB3  ALA   3           HB3      ALA   3 -19.637   1.714   4.519
   17    H    ALA   4           H        ALA   4 -18.936   0.357   2.547
   18    HA   ALA   4           HA       ALA   4 -16.624  -1.228   3.127
   19    HB1  ALA   4           HB1      ALA   4 -18.977  -2.010   2.756
   20    HB2  ALA   4           HB2      ALA   4 -17.802  -2.903   1.791
   21    HB3  ALA   4           HB3      ALA   4 -18.788  -1.650   1.040
   22    H    ALA   5           H        ALA   5 -17.669   0.418   0.127
   23    HA   ALA   5           HA       ALA   5 -15.611  -0.589  -1.592
   24    HB1  ALA   5           HB1      ALA   5 -16.181   1.595  -2.840
   25    HB2  ALA   5           HB2      ALA   5 -17.294   1.928  -1.514
   26    HB3  ALA   5           HB3      ALA   5 -17.528   0.501  -2.523
   27    H    ARG   6           H        ARG   6 -15.720   2.280   0.538
   28    HA   ARG   6           HA       ARG   6 -13.186   3.381  -0.206
   29    HB2  ARG   6           HB2      ARG   6 -15.273   3.783   1.732
   30    HB3  ARG   6           HB3      ARG   6 -13.719   3.828   2.565
   31    HG2  ARG   6           HG2      ARG   6 -13.670   5.997   1.883
   32    HG3  ARG   6           HG3      ARG   6 -13.161   5.317   0.337
   33    HD2  ARG   6           HD2      ARG   6 -15.680   5.123  -0.214
   34    HD3  ARG   6           HD3      ARG   6 -15.930   6.221   1.157
   35    HE   ARG   6           HE       ARG   6 -14.292   6.877  -1.261
   36   HH11  ARG   6          HH11      ARG   6 -13.581   8.281   1.353
   37   HH12  ARG   6          HH12      ARG   6 -14.499   9.743   1.211
   38   HH21  ARG   6          HH21      ARG   6 -16.518   8.537  -1.348
   39   HH22  ARG   6          HH22      ARG   6 -16.167   9.887  -0.323
   40    H    VAL   7           H        VAL   7 -14.111   0.896   2.110
   41    HA   VAL   7           HA       VAL   7 -11.557   0.543   3.386
   42    HB   VAL   7           HB       VAL   7 -13.865  -1.366   2.839
   43   HG11  VAL   7          HG11      VAL   7 -12.948  -2.642   4.778
   44   HG12  VAL   7          HG12      VAL   7 -11.542  -1.577   4.780
   45   HG13  VAL   7          HG13      VAL   7 -11.848  -2.629   3.399
   46   HG21  VAL   7          HG21      VAL   7 -13.815   0.926   4.389
   47   HG22  VAL   7          HG22      VAL   7 -13.430  -0.336   5.559
   48   HG23  VAL   7          HG23      VAL   7 -14.919  -0.430   4.619
   49    H    THR   8           H        THR   8 -13.042  -0.870   0.460
   50    HA   THR   8           HA       THR   8 -10.929  -2.715  -0.160
   51    HB   THR   8           HB       THR   8 -12.837  -1.268  -2.022
   52    HG1  THR   8           HG1      THR   8 -14.341  -2.344  -1.062
   53   HG21  THR   8          HG21      THR   8 -12.669  -3.401  -3.316
   54   HG22  THR   8          HG22      THR   8 -11.426  -3.945  -2.189
   55   HG23  THR   8          HG23      THR   8 -11.136  -2.537  -3.210
   56    H    ALA   9           H        ALA   9 -11.486   0.679  -0.962
   57    HA   ALA   9           HA       ALA   9  -9.322   0.986  -2.830
   58    HB1  ALA   9           HB1      ALA   9 -11.371   2.482  -2.315
   59    HB2  ALA   9           HB2      ALA   9  -9.845   3.301  -2.648
   60    HB3  ALA   9           HB3      ALA   9 -10.403   3.119  -0.985
   61    H    ILE  10           H        ILE  10  -9.545   1.433   0.671
   62    HA   ILE  10           HA       ILE  10  -6.932   2.489   1.143
   63    HB   ILE  10           HB       ILE  10  -8.811   0.739   2.767
   64   HG12  ILE  10          HG12      ILE  10  -9.589   3.032   2.167
   65   HG13  ILE  10          HG13      ILE  10  -9.354   2.840   3.902
   66   HG21  ILE  10          HG21      ILE  10  -7.366   1.789   4.704
   67   HG22  ILE  10          HG22      ILE  10  -6.127   1.906   3.453
   68   HG23  ILE  10          HG23      ILE  10  -6.802   0.335   3.882
   69   HD11  ILE  10          HD11      ILE  10  -6.886   3.702   2.661
   70   HD12  ILE  10          HD12      ILE  10  -7.824   4.491   3.929
   71   HD13  ILE  10          HD13      ILE  10  -8.198   4.802   2.234
   72    H    LEU  11           H        LEU  11  -8.121  -0.855   0.853
   73    HA   LEU  11           HA       LEU  11  -5.667  -2.198   1.481
   74    HB2  LEU  11           HB2      LEU  11  -8.102  -2.907  -0.171
   75    HB3  LEU  11           HB3      LEU  11  -6.825  -4.068   0.192
   76    HG   LEU  11           HG       LEU  11  -8.138  -2.513   2.413
   77   HD11  LEU  11          HD11      LEU  11  -9.910  -4.043   2.592
   78   HD12  LEU  11          HD12      LEU  11  -9.118  -5.229   1.555
   79   HD13  LEU  11          HD13      LEU  11  -9.811  -3.768   0.854
   80   HD21  LEU  11          HD21      LEU  11  -6.084  -3.811   2.874
   81   HD22  LEU  11          HD22      LEU  11  -6.854  -5.260   2.226
   82   HD23  LEU  11          HD23      LEU  11  -7.472  -4.517   3.701
   83    H    SER  12           H        SER  12  -7.031  -1.005  -1.560
   84    HA   SER  12           HA       SER  12  -5.120  -2.101  -3.377
   85    HB2  SER  12           HB2      SER  12  -7.339  -0.903  -3.817
   86    HB3  SER  12           HB3      SER  12  -6.471   0.609  -3.562
   87    HG   SER  12           HG       SER  12  -6.590  -0.123  -5.789
   88    H    SER  13           H        SER  13  -5.122   1.000  -1.596
   89    HA   SER  13           HA       SER  13  -2.591   1.932  -2.650
   90    HB2  SER  13           HB2      SER  13  -4.501   2.632  -0.452
   91    HB3  SER  13           HB3      SER  13  -2.885   3.330  -0.391
   92    HG   SER  13           HG       SER  13  -4.740   4.375  -1.674
   93    H    LEU  14           H        LEU  14  -3.533   0.059   0.232
   94    HA   LEU  14           HA       LEU  14  -1.077   0.134   1.668
   95    HB2  LEU  14           HB2      LEU  14  -3.442  -1.690   1.425
   96    HB3  LEU  14           HB3      LEU  14  -2.034  -2.284   2.305
   97    HG   LEU  14           HG       LEU  14  -3.186   0.441   2.893
   98   HD11  LEU  14          HD11      LEU  14  -4.996  -1.279   3.090
   99   HD12  LEU  14          HD12      LEU  14  -4.566  -0.552   4.638
  100   HD13  LEU  14          HD13      LEU  14  -3.981  -2.165   4.228
  101   HD21  LEU  14          HD21      LEU  14  -2.000   0.212   4.947
  102   HD22  LEU  14          HD22      LEU  14  -0.893  -0.396   3.716
  103   HD23  LEU  14          HD23      LEU  14  -1.797  -1.525   4.726
  104    H    THR  15           H        THR  15  -2.157  -2.069  -0.935
  105    HA   THR  15           HA       THR  15   0.177  -3.770  -0.887
  106    HB   THR  15           HB       THR  15  -1.701  -3.139  -3.189
  107    HG1  THR  15           HG1      THR  15  -1.981  -4.850  -0.947
  108   HG21  THR  15          HG21      THR  15  -1.104  -5.244  -4.059
  109   HG22  THR  15          HG22      THR  15  -0.429  -5.788  -2.523
  110   HG23  THR  15          HG23      THR  15   0.429  -4.586  -3.487
  111    H    VAL  16           H        VAL  16  -0.700  -0.906  -2.850
  112    HA   VAL  16           HA       VAL  16   1.702  -0.923  -4.465
  113    HB   VAL  16           HB       VAL  16  -0.355   1.187  -3.730
  114   HG11  VAL  16          HG11      VAL  16   1.989   1.281  -5.638
  115   HG12  VAL  16          HG12      VAL  16   1.540   2.454  -4.399
  116   HG13  VAL  16          HG13      VAL  16   0.570   2.304  -5.864
  117   HG21  VAL  16          HG21      VAL  16   0.047  -0.707  -6.053
  118   HG22  VAL  16          HG22      VAL  16  -0.969   0.727  -6.194
  119   HG23  VAL  16          HG23      VAL  16  -1.373  -0.528  -5.024
  120    H    THR  17           H        THR  17   0.749   0.873  -1.515
  121    HA   THR  17           HA       THR  17   3.137   2.427  -1.239
  122    HB   THR  17           HB       THR  17   1.040   1.385   0.682
  123    HG1  THR  17           HG1      THR  17   1.600   3.964  -0.363
  124   HG21  THR  17          HG21      THR  17   3.409   3.189   1.209
  125   HG22  THR  17          HG22      THR  17   2.932   1.736   2.087
  126   HG23  THR  17          HG23      THR  17   1.967   3.205   2.225
  127    H    GLN  18           H        GLN  18   2.315  -0.862  -0.125
  128    HA   GLN  18           HA       GLN  18   4.492  -1.347   1.607
  129    HB2  GLN  18           HB2      GLN  18   2.663  -2.931  -0.122
  130    HB3  GLN  18           HB3      GLN  18   4.108  -3.761   0.452
  131    HG2  GLN  18           HG2      GLN  18   2.119  -2.301   2.219
  132    HG3  GLN  18           HG3      GLN  18   2.201  -4.051   2.015
  133   HE21  GLN  18          HE21      GLN  18   4.225  -5.141   2.798
  134   HE22  GLN  18          HE22      GLN  18   5.152  -4.403   4.014
  135    H    LEU  19           H        LEU  19   4.333  -1.608  -1.911
  136    HA   LEU  19           HA       LEU  19   6.907  -2.733  -2.400
  137    HB2  LEU  19           HB2      LEU  19   4.736  -1.557  -3.844
  138    HB3  LEU  19           HB3      LEU  19   6.213  -0.765  -4.389
  139    HG   LEU  19           HG       LEU  19   5.655  -2.823  -5.705
  140   HD11  LEU  19          HD11      LEU  19   8.194  -2.797  -4.055
  141   HD12  LEU  19          HD12      LEU  19   7.958  -2.145  -5.676
  142   HD13  LEU  19          HD13      LEU  19   7.942  -3.889  -5.417
  143   HD21  LEU  19          HD21      LEU  19   4.848  -3.940  -3.423
  144   HD22  LEU  19          HD22      LEU  19   6.521  -4.494  -3.375
  145   HD23  LEU  19          HD23      LEU  19   5.489  -4.923  -4.739
  146    H    LEU  20           H        LEU  20   5.874   0.662  -1.975
  147    HA   LEU  20           HA       LEU  20   8.483   1.842  -2.379
  148    HB2  LEU  20           HB2      LEU  20   6.155   2.922  -2.439
  149    HB3  LEU  20           HB3      LEU  20   6.205   2.892  -0.676
  150    HG   LEU  20           HG       LEU  20   8.557   4.039  -1.022
  151   HD11  LEU  20          HD11      LEU  20   8.631   5.467  -3.008
  152   HD12  LEU  20          HD12      LEU  20   7.079   4.831  -3.551
  153   HD13  LEU  20          HD13      LEU  20   8.493   3.778  -3.500
  154   HD21  LEU  20          HD21      LEU  20   6.657   5.091   0.117
  155   HD22  LEU  20          HD22      LEU  20   5.914   5.476  -1.435
  156   HD23  LEU  20          HD23      LEU  20   7.424   6.255  -0.962
  157    H    ARG  21           H        ARG  21   6.706   0.673   0.489
  158    HA   ARG  21           HA       ARG  21   8.466   1.550   2.542
  159    HB2  ARG  21           HB2      ARG  21   6.129   0.346   2.519
  160    HB3  ARG  21           HB3      ARG  21   7.089  -1.133   2.555
  161    HG2  ARG  21           HG2      ARG  21   7.153  -0.869   4.799
  162    HG3  ARG  21           HG3      ARG  21   8.288   0.448   4.500
  163    HD2  ARG  21           HD2      ARG  21   6.477   2.079   4.479
  164    HD3  ARG  21           HD3      ARG  21   5.266   0.787   4.604
  165    HE   ARG  21           HE       ARG  21   7.169   1.573   6.759
  166   HH11  ARG  21          HH11      ARG  21   4.247   1.749   7.222
  167   HH12  ARG  21          HH12      ARG  21   3.900   0.269   8.052
  168   HH21  ARG  21          HH21      ARG  21   6.879  -1.258   7.116
  169   HH22  ARG  21          HH22      ARG  21   5.395  -1.442   7.989
  170    H    ARG  22           H        ARG  22   8.575  -1.377   0.499
  171    HA   ARG  22           HA       ARG  22  10.764  -2.703   1.775
  172    HB2  ARG  22           HB2      ARG  22   9.416  -2.687  -0.898
  173    HB3  ARG  22           HB3      ARG  22  10.977  -3.498  -0.782
  174    HG2  ARG  22           HG2      ARG  22   9.918  -4.603   1.364
  175    HG3  ARG  22           HG3      ARG  22   8.392  -4.162   0.597
  176    HD2  ARG  22           HD2      ARG  22   9.173  -5.347  -1.491
  177    HD3  ARG  22           HD3      ARG  22  10.575  -5.925  -0.570
  178    HE   ARG  22           HE       ARG  22   8.931  -6.986   1.019
  179   HH11  ARG  22          HH21      ARG  22   6.419  -5.707   0.113
  180   HH12  ARG  22          HH22      ARG  22   5.727  -6.908  -0.927
  181   HH21  ARG  22          HH11      ARG  22   8.697  -8.677  -1.293
  182   HH22  ARG  22          HH12      ARG  22   7.022  -8.595  -1.727
  183    H    LEU  23           H        LEU  23  10.686  -0.377  -0.945
  184    HA   LEU  23           HA       LEU  23  13.515  -0.284  -1.425
  185    HB2  LEU  23           HB2      LEU  23  11.874   0.538  -3.021
  186    HB3  LEU  23           HB3      LEU  23  11.251   1.697  -1.849
  187    HG   LEU  23           HG       LEU  23  13.455   2.842  -1.831
  188   HD11  LEU  23          HD11      LEU  23  15.091   1.299  -2.410
  189   HD12  LEU  23          HD12      LEU  23  14.889   2.137  -3.948
  190   HD13  LEU  23          HD13      LEU  23  14.107   0.578  -3.685
  191   HD21  LEU  23          HD21      LEU  23  11.764   3.698  -3.341
  192   HD22  LEU  23          HD22      LEU  23  12.139   2.457  -4.537
  193   HD23  LEU  23          HD23      LEU  23  13.311   3.727  -4.186
  194    H    HIS  24           H        HIS  24  11.388   1.568   0.760
  195    HA   HIS  24           HA       HIS  24  13.234   3.537   1.661
  196    HB2  HIS  24           HB2      HIS  24  10.815   2.137   2.782
  197    HB3  HIS  24           HB3      HIS  24  11.710   3.266   3.797
  198    HD1  HIS  24           HD1      HIS  24   9.948   5.132   3.780
  199    HD2  HIS  24           HD2      HIS  24  11.134   3.980  -0.048
  200    HE1  HIS  24           HE1      HIS  24   8.972   6.837   2.182
  201    H    GLN  25           H        GLN  25  12.616   0.223   2.859
  202    HA   GLN  25           HA       GLN  25  14.436   0.287   5.078
  203    HB2  GLN  25           HB2      GLN  25  12.560  -1.383   4.384
  204    HB3  GLN  25           HB3      GLN  25  13.806  -2.144   3.395
  205    HG2  GLN  25           HG2      GLN  25  14.656  -3.178   5.204
  206    HG3  GLN  25           HG3      GLN  25  14.884  -1.626   6.010
  207   HE21  GLN  25          HE21      GLN  25  13.455  -1.116   7.727
  208   HE22  GLN  25          HE22      GLN  25  12.114  -2.066   8.152
  209    H    TRP  26           H        TRP  26  14.880  -0.467   1.630
  210    HA   TRP  26           HA       TRP  26  17.561  -1.496   1.803
  211    HB2  TRP  26           HB2      TRP  26  15.579  -0.794  -0.172
  212    HB3  TRP  26           HB3      TRP  26  17.139  -0.140  -0.668
  213    HD1  TRP  26           HD1      TRP  26  18.979  -1.801  -1.436
  214    HE1  TRP  26           HE1      TRP  26  19.040  -4.352  -1.808
  215    HE3  TRP  26           HE3      TRP  26  14.572  -3.121   0.781
  216    HZ2  TRP  26           HZ2      TRP  26  17.432  -6.650  -1.239
  217    HZ3  TRP  26           HZ3      TRP  26  13.861  -5.495   0.851
  218    HH2  TRP  26           HH2      TRP  26  15.283  -7.258  -0.154
  219    H    ILE  27           H        ILE  27  16.240   1.791   1.597
  220    HA   ILE  27           HA       ILE  27  18.838   3.063   1.131
  221    HB   ILE  27           HB       ILE  27  16.114   4.108   1.989
  222   HG12  ILE  27          HG12      ILE  27  17.337   4.455  -0.733
  223   HG13  ILE  27          HG13      ILE  27  16.565   2.920  -0.334
  224   HG21  ILE  27          HG21      ILE  27  16.998   6.300   1.166
  225   HG22  ILE  27          HG22      ILE  27  18.588   5.556   0.996
  226   HG23  ILE  27          HG23      ILE  27  17.851   5.708   2.591
  227   HD11  ILE  27          HD11      ILE  27  14.507   4.149   0.317
  228   HD12  ILE  27          HD12      ILE  27  14.935   4.425  -1.371
  229   HD13  ILE  27          HD13      ILE  27  15.278   5.661  -0.160
  230    H    SER  28           H        SER  28  16.600   2.809   3.931
  231    HA   SER  28           HA       SER  28  18.931   3.436   5.720
  232    HB2  SER  28           HB2      SER  28  17.098   4.454   7.197
  233    HB3  SER  28           HB3      SER  28  17.458   5.323   5.710
  234    HG   SER  28           HG       SER  28  15.439   3.338   5.848
  Start of MODEL   13
    1    H1   SER   1           H1       SER   1 -19.053   0.261  -6.865
    2    H2   SER   1           H2       SER   1 -20.707   0.505  -6.557
    3    H3   SER   1           H3       SER   1 -19.709  -0.182  -5.365
    4    HA   SER   1           HA       SER   1 -18.393   1.982  -5.427
    5    HB2  SER   1           HB2      SER   1 -19.994   3.841  -6.285
    6    HB3  SER   1           HB3      SER   1 -19.154   2.868  -7.488
    7    HG   SER   1           HG       SER   1 -21.783   3.152  -7.085
    8    H    ASP   2           H        ASP   2 -18.681   1.582  -3.191
    9    HA   ASP   2           HA       ASP   2 -20.925   2.973  -1.910
   10    HB2  ASP   2           HB2      ASP   2 -21.555   0.825  -0.665
   11    HB3  ASP   2           HB3      ASP   2 -22.007   0.877  -2.367
   12    H    ALA   3           H        ALA   3 -20.703   2.338   0.636
   13    HA   ALA   3           HA       ALA   3 -18.241   3.393   1.572
   14    HB1  ALA   3           HB1      ALA   3 -20.448   3.281   2.758
   15    HB2  ALA   3           HB2      ALA   3 -19.101   2.735   3.756
   16    HB3  ALA   3           HB3      ALA   3 -20.180   1.555   3.010
   17    H    ALA   4           H        ALA   4 -19.317  -0.034   1.455
   18    HA   ALA   4           HA       ALA   4 -16.994  -1.204   2.621
   19    HB1  ALA   4           HB1      ALA   4 -17.934  -3.223   1.843
   20    HB2  ALA   4           HB2      ALA   4 -18.584  -2.466   0.390
   21    HB3  ALA   4           HB3      ALA   4 -19.334  -2.157   1.956
   22    H    ALA   5           H        ALA   5 -17.724  -0.386  -0.786
   23    HA   ALA   5           HA       ALA   5 -15.366  -1.516  -1.957
   24    HB1  ALA   5           HB1      ALA   5 -17.579  -0.507  -2.957
   25    HB2  ALA   5           HB2      ALA   5 -16.080  -0.349  -3.873
   26    HB3  ALA   5           HB3      ALA   5 -16.684   1.014  -2.930
   27    H    ARG   6           H        ARG   6 -15.993   1.675  -0.485
   28    HA   ARG   6           HA       ARG   6 -13.488   2.891  -1.174
   29    HB2  ARG   6           HB2      ARG   6 -15.806   3.678   0.007
   30    HB3  ARG   6           HB3      ARG   6 -14.777   3.530   1.431
   31    HG2  ARG   6           HG2      ARG   6 -13.626   4.941  -0.934
   32    HG3  ARG   6           HG3      ARG   6 -14.878   5.786  -0.025
   33    HD2  ARG   6           HD2      ARG   6 -12.464   4.525   1.317
   34    HD3  ARG   6           HD3      ARG   6 -12.502   6.219   0.791
   35    HE   ARG   6           HE       ARG   6 -14.835   6.029   2.205
   36   HH11  ARG   6          HH21      ARG   6 -12.584   7.521   3.408
   37   HH12  ARG   6          HH22      ARG   6 -12.277   6.649   4.872
   38   HH21  ARG   6          HH11      ARG   6 -14.028   3.820   3.861
   39   HH22  ARG   6          HH12      ARG   6 -13.099   4.546   5.130
   40    H    VAL   7           H        VAL   7 -14.493   0.795   1.460
   41    HA   VAL   7           HA       VAL   7 -12.115   0.984   3.074
   42    HB   VAL   7           HB       VAL   7 -14.147  -1.249   2.681
   43   HG11  VAL   7          HG11      VAL   7 -11.987  -0.789   4.740
   44   HG12  VAL   7          HG12      VAL   7 -12.309  -2.244   3.796
   45   HG13  VAL   7          HG13      VAL   7 -13.405  -1.775   5.097
   46   HG21  VAL   7          HG21      VAL   7 -15.548  -0.093   4.043
   47   HG22  VAL   7          HG22      VAL   7 -14.549   1.309   3.661
   48   HG23  VAL   7          HG23      VAL   7 -14.240   0.379   5.127
   49    H    THR   8           H        THR   8 -13.098  -1.123   0.368
   50    HA   THR   8           HA       THR   8 -10.758  -2.804   0.377
   51    HB   THR   8           HB       THR   8 -12.560  -2.042  -1.939
   52    HG1  THR   8           HG1      THR   8 -14.081  -3.067  -0.943
   53   HG21  THR   8          HG21      THR   8 -12.056  -4.339  -2.702
   54   HG22  THR   8          HG22      THR   8 -10.997  -4.563  -1.308
   55   HG23  THR   8          HG23      THR   8 -10.586  -3.376  -2.547
   56    H    ALA   9           H        ALA   9 -11.561   0.257  -1.183
   57    HA   ALA   9           HA       ALA   9  -9.292   0.437  -2.926
   58    HB1  ALA   9           HB1      ALA   9 -10.679   2.764  -1.598
   59    HB2  ALA   9           HB2      ALA   9 -11.504   1.788  -2.813
   60    HB3  ALA   9           HB3      ALA   9 -10.037   2.671  -3.237
   61    H    ILE  10           H        ILE  10  -9.813   1.519   0.402
   62    HA   ILE  10           HA       ILE  10  -7.343   2.899   0.805
   63    HB   ILE  10           HB       ILE  10  -9.166   1.307   2.642
   64   HG12  ILE  10          HG12      ILE  10  -8.845   4.296   2.604
   65   HG13  ILE  10          HG13      ILE  10  -9.833   3.522   1.365
   66   HG21  ILE  10          HG21      ILE  10  -6.623   2.776   3.177
   67   HG22  ILE  10          HG22      ILE  10  -7.312   1.382   4.009
   68   HG23  ILE  10          HG23      ILE  10  -7.939   2.998   4.330
   69   HD11  ILE  10          HD11      ILE  10 -10.289   3.709   4.312
   70   HD12  ILE  10          HD12      ILE  10 -10.844   2.254   3.483
   71   HD13  ILE  10          HD13      ILE  10 -11.446   3.834   2.987
   72    H    LEU  11           H        LEU  11  -8.214  -0.539   1.116
   73    HA   LEU  11           HA       LEU  11  -5.689  -1.467   2.124
   74    HB2  LEU  11           HB2      LEU  11  -7.943  -2.755   0.565
   75    HB3  LEU  11           HB3      LEU  11  -6.597  -3.670   1.243
   76    HG   LEU  11           HG       LEU  11  -8.193  -1.808   2.990
   77   HD11  LEU  11          HD11      LEU  11  -8.891  -4.644   2.184
   78   HD12  LEU  11          HD12      LEU  11  -9.896  -3.203   2.017
   79   HD13  LEU  11          HD13      LEU  11  -9.547  -3.856   3.618
   80   HD21  LEU  11          HD21      LEU  11  -6.064  -2.765   3.820
   81   HD22  LEU  11          HD22      LEU  11  -6.673  -4.389   3.496
   82   HD23  LEU  11          HD23      LEU  11  -7.441  -3.388   4.729
   83    H    SER  12           H        SER  12  -6.976  -1.044  -1.144
   84    HA   SER  12           HA       SER  12  -4.891  -2.312  -2.623
   85    HB2  SER  12           HB2      SER  12  -7.199  -1.379  -3.333
   86    HB3  SER  12           HB3      SER  12  -6.383   0.176  -3.479
   87    HG   SER  12           HG       SER  12  -6.386  -1.011  -5.449
   88    H    SER  13           H        SER  13  -5.225   1.107  -1.580
   89    HA   SER  13           HA       SER  13  -2.702   1.955  -2.728
   90    HB2  SER  13           HB2      SER  13  -3.134   3.959  -1.261
   91    HB3  SER  13           HB3      SER  13  -4.502   3.523  -2.279
   92    HG   SER  13           HG       SER  13  -5.613   3.147  -0.539
   93    H    LEU  14           H        LEU  14  -3.668   0.706   0.464
   94    HA   LEU  14           HA       LEU  14  -1.290   1.296   1.926
   95    HB2  LEU  14           HB2      LEU  14  -3.544  -0.662   2.046
   96    HB3  LEU  14           HB3      LEU  14  -2.132  -1.003   3.046
   97    HG   LEU  14           HG       LEU  14  -3.468   1.709   3.038
   98   HD11  LEU  14          HD11      LEU  14  -4.158  -0.795   4.562
   99   HD12  LEU  14          HD12      LEU  14  -5.239   0.367   3.793
  100   HD13  LEU  14          HD13      LEU  14  -4.415   0.789   5.293
  101   HD21  LEU  14          HD21      LEU  14  -1.148   1.487   3.937
  102   HD22  LEU  14          HD22      LEU  14  -1.731   0.272   5.074
  103   HD23  LEU  14          HD23      LEU  14  -2.311   1.934   5.185
  104    H    THR  15           H        THR  15  -2.149  -1.589  -0.018
  105    HA   THR  15           HA       THR  15   0.248  -3.082   0.407
  106    HB   THR  15           HB       THR  15  -1.598  -2.931  -2.006
  107    HG1  THR  15           HG1      THR  15  -2.968  -3.865  -0.744
  108   HG21  THR  15          HG21      THR  15   0.423  -4.164  -2.547
  109   HG22  THR  15          HG22      THR  15  -0.890  -5.316  -2.311
  110   HG23  THR  15          HG23      THR  15   0.312  -5.078  -1.042
  111    H    VAL  16           H        VAL  16  -0.580  -0.602  -2.025
  112    HA   VAL  16           HA       VAL  16   1.811  -0.781  -3.599
  113    HB   VAL  16           HB       VAL  16  -0.102   1.504  -2.992
  114   HG11  VAL  16          HG11      VAL  16   2.089   1.214  -5.060
  115   HG12  VAL  16          HG12      VAL  16   1.865   2.518  -3.894
  116   HG13  VAL  16          HG13      VAL  16   0.753   2.349  -5.252
  117   HG21  VAL  16          HG21      VAL  16  -0.105   0.140  -5.618
  118   HG22  VAL  16          HG22      VAL  16  -1.462   0.640  -4.609
  119   HG23  VAL  16          HG23      VAL  16  -0.616  -0.868  -4.263
  120    H    THR  17           H        THR  17   0.994   1.204  -0.725
  121    HA   THR  17           HA       THR  17   3.437   2.706  -0.614
  122    HB   THR  17           HB       THR  17   1.713   1.786   1.710
  123    HG1  THR  17           HG1      THR  17   0.181   2.975   0.934
  124   HG21  THR  17          HG21      THR  17   3.960   3.162   1.906
  125   HG22  THR  17          HG22      THR  17   2.553   3.616   2.867
  126   HG23  THR  17          HG23      THR  17   2.938   4.504   1.392
  127    H    GLN  18           H        GLN  18   2.515  -0.458   0.765
  128    HA   GLN  18           HA       GLN  18   4.838  -0.914   2.345
  129    HB2  GLN  18           HB2      GLN  18   2.524  -2.333   1.373
  130    HB3  GLN  18           HB3      GLN  18   3.944  -3.368   1.225
  131    HG2  GLN  18           HG2      GLN  18   3.368  -1.834   3.763
  132    HG3  GLN  18           HG3      GLN  18   2.675  -3.430   3.471
  133   HE21  GLN  18          HE21      GLN  18   4.059  -5.261   3.700
  134   HE22  GLN  18          HE22      GLN  18   5.698  -5.143   4.124
  135    H    LEU  19           H        LEU  19   4.200  -1.572  -1.073
  136    HA   LEU  19           HA       LEU  19   6.619  -2.962  -1.698
  137    HB2  LEU  19           HB2      LEU  19   4.349  -2.191  -3.018
  138    HB3  LEU  19           HB3      LEU  19   5.512  -1.050  -3.691
  139    HG   LEU  19           HG       LEU  19   5.413  -3.089  -5.063
  140   HD11  LEU  19          HD11      LEU  19   8.004  -3.094  -3.498
  141   HD12  LEU  19          HD12      LEU  19   7.595  -1.838  -4.666
  142   HD13  LEU  19          HD13      LEU  19   7.768  -3.512  -5.194
  143   HD21  LEU  19          HD21      LEU  19   4.767  -4.542  -3.044
  144   HD22  LEU  19          HD22      LEU  19   6.491  -4.598  -2.673
  145   HD23  LEU  19          HD23      LEU  19   5.895  -5.255  -4.196
  146    H    LEU  20           H        LEU  20   5.812   0.519  -1.792
  147    HA   LEU  20           HA       LEU  20   8.428   1.446  -2.588
  148    HB2  LEU  20           HB2      LEU  20   5.886   2.544  -1.478
  149    HB3  LEU  20           HB3      LEU  20   7.325   3.540  -1.261
  150    HG   LEU  20           HG       LEU  20   7.693   2.931  -3.831
  151   HD11  LEU  20          HD11      LEU  20   4.680   2.819  -3.470
  152   HD12  LEU  20          HD12      LEU  20   5.705   1.465  -3.946
  153   HD13  LEU  20          HD13      LEU  20   5.530   2.856  -5.016
  154   HD21  LEU  20          HD21      LEU  20   5.749   5.013  -2.782
  155   HD22  LEU  20          HD22      LEU  20   6.478   5.042  -4.387
  156   HD23  LEU  20          HD23      LEU  20   7.494   5.206  -2.955
  157    H    ARG  21           H        ARG  21   6.873   0.865   0.566
  158    HA   ARG  21           HA       ARG  21   8.816   2.006   2.297
  159    HB2  ARG  21           HB2      ARG  21   6.467   0.954   2.693
  160    HB3  ARG  21           HB3      ARG  21   7.332  -0.577   2.821
  161    HG2  ARG  21           HG2      ARG  21   8.428   0.047   4.775
  162    HG3  ARG  21           HG3      ARG  21   8.304   1.770   4.416
  163    HD2  ARG  21           HD2      ARG  21   6.708   1.454   6.144
  164    HD3  ARG  21           HD3      ARG  21   5.722   1.393   4.670
  165    HE   ARG  21           HE       ARG  21   6.397  -1.221   4.916
  166   HH11  ARG  21          HH11      ARG  21   3.669  -0.476   5.745
  167   HH12  ARG  21          HH12      ARG  21   3.621  -0.942   7.411
  168   HH21  ARG  21          HH21      ARG  21   7.079  -1.150   7.720
  169   HH22  ARG  21          HH22      ARG  21   5.562  -1.325   8.536
  170    H    ARG  22           H        ARG  22   8.601  -1.336   1.007
  171    HA   ARG  22           HA       ARG  22  10.986  -2.343   2.240
  172    HB2  ARG  22           HB2      ARG  22   9.073  -3.074   0.106
  173    HB3  ARG  22           HB3      ARG  22  10.680  -3.771  -0.091
  174    HG2  ARG  22           HG2      ARG  22  10.311  -4.213   2.558
  175    HG3  ARG  22           HG3      ARG  22   8.639  -4.287   2.001
  176    HD2  ARG  22           HD2      ARG  22   9.404  -6.525   1.768
  177    HD3  ARG  22           HD3      ARG  22   9.577  -5.863   0.131
  178    HE   ARG  22           HE       ARG  22  11.908  -5.595   1.954
  179   HH11  ARG  22          HH11      ARG  22  11.555  -8.463   1.168
  180   HH12  ARG  22          HH12      ARG  22  12.473  -8.559  -0.296
  181   HH21  ARG  22          HH21      ARG  22  12.584  -5.115  -0.761
  182   HH22  ARG  22          HH22      ARG  22  13.057  -6.656  -1.393
  183    H    LEU  23           H        LEU  23  10.424  -0.791  -0.935
  184    HA   LEU  23           HA       LEU  23  13.030  -1.085  -2.040
  185    HB2  LEU  23           HB2      LEU  23  10.919  -0.269  -3.156
  186    HB3  LEU  23           HB3      LEU  23  11.114   1.260  -2.297
  187    HG   LEU  23           HG       LEU  23  13.565   0.429  -3.667
  188   HD11  LEU  23          HD11      LEU  23  11.796  -0.506  -5.210
  189   HD12  LEU  23          HD12      LEU  23  12.800   0.748  -5.936
  190   HD13  LEU  23          HD13      LEU  23  11.169   1.133  -5.385
  191   HD21  LEU  23          HD21      LEU  23  13.592   2.740  -4.314
  192   HD22  LEU  23          HD22      LEU  23  12.949   2.696  -2.672
  193   HD23  LEU  23          HD23      LEU  23  11.857   2.903  -4.041
  194    H    HIS  24           H        HIS  24  11.677   1.516   0.015
  195    HA   HIS  24           HA       HIS  24  14.057   3.128   0.137
  196    HB2  HIS  24           HB2      HIS  24  11.495   2.803   1.668
  197    HB3  HIS  24           HB3      HIS  24  12.771   3.787   2.382
  198    HD1  HIS  24           HD1      HIS  24  13.329   6.028   1.259
  199    HD2  HIS  24           HD2      HIS  24  10.418   3.854  -0.785
  200    HE1  HIS  24           HE1      HIS  24  12.346   7.595  -0.473
  201    H    GLN  25           H        GLN  25  12.833   0.476   2.197
  202    HA   GLN  25           HA       GLN  25  14.757   0.614   4.294
  203    HB2  GLN  25           HB2      GLN  25  13.058  -1.524   3.023
  204    HB3  GLN  25           HB3      GLN  25  14.205  -1.963   4.288
  205    HG2  GLN  25           HG2      GLN  25  13.170  -0.418   5.846
  206    HG3  GLN  25           HG3      GLN  25  12.115   0.214   4.581
  207   HE21  GLN  25          HE21      GLN  25  12.951  -3.040   5.946
  208   HE22  GLN  25          HE22      GLN  25  11.347  -3.596   5.963
  209    H    TRP  26           H        TRP  26  14.894  -0.950   1.100
  210    HA   TRP  26           HA       TRP  26  17.432  -2.286   1.500
  211    HB2  TRP  26           HB2      TRP  26  15.488  -2.613  -0.226
  212    HB3  TRP  26           HB3      TRP  26  16.322  -1.363  -1.148
  213    HD1  TRP  26           HD1      TRP  26  18.964  -1.888  -1.735
  214    HE1  TRP  26           HE1      TRP  26  20.083  -4.140  -2.301
  215    HE3  TRP  26           HE3      TRP  26  15.466  -5.110   0.134
  216    HZ2  TRP  26           HZ2      TRP  26  19.565  -6.936  -2.003
  217    HZ3  TRP  26           HZ3      TRP  26  15.806  -7.560  -0.021
  218    HH2  TRP  26           HH2      TRP  26  17.849  -8.477  -1.087
  219    H    ILE  27           H        ILE  27  16.492   0.946   0.396
  220    HA   ILE  27           HA       ILE  27  19.164   1.650  -0.588
  221    HB   ILE  27           HB       ILE  27  16.708   3.319   0.066
  222   HG12  ILE  27          HG12      ILE  27  16.363   1.493  -1.639
  223   HG13  ILE  27          HG13      ILE  27  16.137   3.118  -2.283
  224   HG21  ILE  27          HG21      ILE  27  18.596   4.781  -0.092
  225   HG22  ILE  27          HG22      ILE  27  17.778   4.872  -1.652
  226   HG23  ILE  27          HG23      ILE  27  19.243   3.905  -1.480
  227   HD11  ILE  27          HD11      ILE  27  18.772   1.646  -2.477
  228   HD12  ILE  27          HD12      ILE  27  18.271   3.092  -3.354
  229   HD13  ILE  27          HD13      ILE  27  17.527   1.537  -3.722
  230    H    SER  28           H        SER  28  17.221   2.341   2.337
  231    HA   SER  28           HA       SER  28  19.283   4.035   3.539
  232    HB2  SER  28           HB2      SER  28  16.627   3.833   3.820
  233    HB3  SER  28           HB3      SER  28  17.094   2.730   5.111
  234    HG   SER  28           HG       SER  28  18.303   4.387   6.033
  Start of MODEL   14
    1    H1   SER   1           H1       SER   1 -21.902   0.873  -0.484
    2    H2   SER   1           H2       SER   1 -21.201  -0.606  -0.939
    3    H3   SER   1           H3       SER   1 -22.891  -0.458  -0.842
    4    HA   SER   1           HA       SER   1 -22.047  -0.419  -3.165
    5    HB2  SER   1           HB2      SER   1 -23.335   2.134  -2.146
    6    HB3  SER   1           HB3      SER   1 -23.549   1.407  -3.735
    7    HG   SER   1           HG       SER   1 -25.188   0.484  -2.760
    8    H    ASP   2           H        ASP   2 -21.476   2.767  -1.584
    9    HA   ASP   2           HA       ASP   2 -19.131   3.150  -3.406
   10    HB2  ASP   2           HB2      ASP   2 -21.090   4.957  -1.988
   11    HB3  ASP   2           HB3      ASP   2 -19.557   5.592  -2.588
   12    H    ALA   3           H        ALA   3 -20.160   3.856  -0.034
   13    HA   ALA   3           HA       ALA   3 -17.596   4.545   0.999
   14    HB1  ALA   3           HB1      ALA   3 -20.071   3.297   2.230
   15    HB2  ALA   3           HB2      ALA   3 -19.642   5.007   2.197
   16    HB3  ALA   3           HB3      ALA   3 -18.710   3.883   3.186
   17    H    ALA   4           H        ALA   4 -19.264   1.371   0.924
   18    HA   ALA   4           HA       ALA   4 -17.256  -0.156   2.260
   19    HB1  ALA   4           HB1      ALA   4 -19.657  -0.761   1.637
   20    HB2  ALA   4           HB2      ALA   4 -18.467  -2.031   1.357
   21    HB3  ALA   4           HB3      ALA   4 -19.063  -1.071   0.005
   22    H    ALA   5           H        ALA   5 -17.675   0.653  -1.197
   23    HA   ALA   5           HA       ALA   5 -15.531  -0.953  -2.221
   24    HB1  ALA   5           HB1      ALA   5 -16.495   1.722  -3.276
   25    HB2  ALA   5           HB2      ALA   5 -17.445   0.244  -3.438
   26    HB3  ALA   5           HB3      ALA   5 -15.862   0.364  -4.206
   27    H    ARG   6           H        ARG   6 -15.616   2.409  -1.004
   28    HA   ARG   6           HA       ARG   6 -12.901   3.075  -1.624
   29    HB2  ARG   6           HB2      ARG   6 -15.084   4.039   0.155
   30    HB3  ARG   6           HB3      ARG   6 -13.452   4.567   0.569
   31    HG2  ARG   6           HG2      ARG   6 -13.225   5.185  -1.931
   32    HG3  ARG   6           HG3      ARG   6 -14.983   5.044  -1.986
   33    HD2  ARG   6           HD2      ARG   6 -15.158   6.707  -0.137
   34    HD3  ARG   6           HD3      ARG   6 -13.392   6.891  -0.167
   35    HE   ARG   6           HE       ARG   6 -15.135   7.477  -2.538
   36   HH11  ARG   6          HH11      ARG   6 -12.257   7.231  -3.162
   37   HH12  ARG   6          HH12      ARG   6 -11.677   8.852  -2.969
   38   HH21  ARG   6          HH21      ARG   6 -14.446   9.905  -1.150
   39   HH22  ARG   6          HH22      ARG   6 -12.921  10.372  -1.826
   40    H    VAL   7           H        VAL   7 -14.381   1.432   1.110
   41    HA   VAL   7           HA       VAL   7 -12.083   1.316   2.834
   42    HB   VAL   7           HB       VAL   7 -14.467  -0.538   2.456
   43   HG11  VAL   7          HG11      VAL   7 -12.374  -0.363   4.635
   44   HG12  VAL   7          HG12      VAL   7 -12.819  -1.774   3.674
   45   HG13  VAL   7          HG13      VAL   7 -13.939  -1.140   4.880
   46   HG21  VAL   7          HG21      VAL   7 -15.665   0.916   3.729
   47   HG22  VAL   7          HG22      VAL   7 -14.422   2.091   3.301
   48   HG23  VAL   7          HG23      VAL   7 -14.313   1.207   4.823
   49    H    THR   8           H        THR   8 -13.277  -0.791   0.207
   50    HA   THR   8           HA       THR   8 -11.266  -2.836   0.469
   51    HB   THR   8           HB       THR   8 -12.807  -1.908  -1.976
   52    HG1  THR   8           HG1      THR   8 -14.495  -2.719  -1.051
   53   HG21  THR   8          HG21      THR   8 -11.049  -3.507  -2.520
   54   HG22  THR   8          HG22      THR   8 -12.616  -4.310  -2.622
   55   HG23  THR   8          HG23      THR   8 -11.580  -4.575  -1.220
   56    H    ALA   9           H        ALA   9 -11.438   0.193  -1.341
   57    HA   ALA   9           HA       ALA   9  -9.020  -0.146  -2.864
   58    HB1  ALA   9           HB1      ALA   9 -11.032   1.514  -3.072
   59    HB2  ALA   9           HB2      ALA   9  -9.423   2.088  -3.506
   60    HB3  ALA   9           HB3      ALA   9 -10.113   2.503  -1.938
   61    H    ILE  10           H        ILE  10  -9.685   1.265   0.305
   62    HA   ILE  10           HA       ILE  10  -7.114   2.394   0.843
   63    HB   ILE  10           HB       ILE  10  -9.305   1.193   2.568
   64   HG12  ILE  10          HG12      ILE  10  -8.436   4.079   2.312
   65   HG13  ILE  10          HG13      ILE  10  -9.602   3.361   1.202
   66   HG21  ILE  10          HG21      ILE  10  -6.689   2.472   3.367
   67   HG22  ILE  10          HG22      ILE  10  -7.420   0.990   3.982
   68   HG23  ILE  10          HG23      ILE  10  -8.102   2.557   4.417
   69   HD11  ILE  10          HD11      ILE  10 -10.856   2.600   3.341
   70   HD12  ILE  10          HD12      ILE  10 -10.956   4.301   2.888
   71   HD13  ILE  10          HD13      ILE  10  -9.861   3.794   4.174
   72    H    LEU  11           H        LEU  11  -8.403  -0.897   1.324
   73    HA   LEU  11           HA       LEU  11  -6.089  -2.016   2.605
   74    HB2  LEU  11           HB2      LEU  11  -8.595  -2.903   1.321
   75    HB3  LEU  11           HB3      LEU  11  -7.293  -4.090   1.265
   76    HG   LEU  11           HG       LEU  11  -7.008  -3.440   3.813
   77   HD11  LEU  11          HD11      LEU  11  -8.649  -1.635   3.826
   78   HD12  LEU  11          HD12      LEU  11  -9.243  -2.959   4.828
   79   HD13  LEU  11          HD13      LEU  11  -9.892  -2.721   3.206
   80   HD21  LEU  11          HD21      LEU  11  -8.672  -5.241   4.373
   81   HD22  LEU  11          HD22      LEU  11  -7.574  -5.683   3.067
   82   HD23  LEU  11          HD23      LEU  11  -9.226  -5.187   2.701
   83    H    SER  12           H        SER  12  -7.069  -1.750  -0.787
   84    HA   SER  12           HA       SER  12  -4.845  -3.237  -1.895
   85    HB2  SER  12           HB2      SER  12  -7.145  -2.530  -2.898
   86    HB3  SER  12           HB3      SER  12  -6.351  -1.001  -3.262
   87    HG   SER  12           HG       SER  12  -6.048  -2.315  -5.014
   88    H    SER  13           H        SER  13  -5.446   0.228  -1.290
   89    HA   SER  13           HA       SER  13  -3.046   1.271  -2.448
   90    HB2  SER  13           HB2      SER  13  -4.940   2.142  -0.260
   91    HB3  SER  13           HB3      SER  13  -3.570   3.140  -0.737
   92    HG   SER  13           HG       SER  13  -5.911   2.519  -2.097
   93    H    LEU  14           H        LEU  14  -3.735  -0.105   0.760
   94    HA   LEU  14           HA       LEU  14  -1.362   0.658   2.137
   95    HB2  LEU  14           HB2      LEU  14  -3.575  -1.215   2.380
   96    HB3  LEU  14           HB3      LEU  14  -2.077  -1.952   2.945
   97    HG   LEU  14           HG       LEU  14  -2.080   0.698   3.945
   98   HD11  LEU  14          HD11      LEU  14  -4.771  -0.622   3.962
   99   HD12  LEU  14          HD12      LEU  14  -4.365   1.088   3.820
  100   HD13  LEU  14          HD13      LEU  14  -4.267   0.286   5.388
  101   HD21  LEU  14          HD21      LEU  14  -2.654  -1.982   5.253
  102   HD22  LEU  14          HD22      LEU  14  -2.258  -0.505   6.132
  103   HD23  LEU  14          HD23      LEU  14  -1.070  -1.232   5.051
  104    H    THR  15           H        THR  15  -2.018  -2.108  -0.025
  105    HA   THR  15           HA       THR  15   0.464  -3.491   0.276
  106    HB   THR  15           HB       THR  15  -1.140  -3.225  -2.283
  107    HG1  THR  15           HG1      THR  15  -2.781  -3.910  -1.194
  108   HG21  THR  15          HG21      THR  15  -0.577  -5.667  -2.426
  109   HG22  THR  15          HG22      THR  15   0.419  -5.473  -0.983
  110   HG23  THR  15          HG23      THR  15   0.835  -4.612  -2.465
  111    H    VAL  16           H        VAL  16  -0.522  -0.866  -1.934
  112    HA   VAL  16           HA       VAL  16   1.901  -0.683  -3.451
  113    HB   VAL  16           HB       VAL  16  -0.155   1.419  -2.666
  114   HG11  VAL  16          HG11      VAL  16   1.811   2.504  -3.572
  115   HG12  VAL  16          HG12      VAL  16   0.573   2.488  -4.829
  116   HG13  VAL  16          HG13      VAL  16   1.906   1.334  -4.888
  117   HG21  VAL  16          HG21      VAL  16  -0.770   0.745  -5.202
  118   HG22  VAL  16          HG22      VAL  16  -1.462  -0.092  -3.812
  119   HG23  VAL  16          HG23      VAL  16  -0.087  -0.790  -4.668
  120    H    THR  17           H        THR  17   0.845   0.985  -0.461
  121    HA   THR  17           HA       THR  17   3.125   2.671  -0.118
  122    HB   THR  17           HB       THR  17   1.410   1.346   2.011
  123    HG1  THR  17           HG1      THR  17   0.950   3.614   0.372
  124   HG21  THR  17          HG21      THR  17   1.894   3.322   3.321
  125   HG22  THR  17          HG22      THR  17   2.739   4.069   1.965
  126   HG23  THR  17          HG23      THR  17   3.424   2.650   2.758
  127    H    GLN  18           H        GLN  18   2.498  -0.679   0.979
  128    HA   GLN  18           HA       GLN  18   4.873  -1.012   2.532
  129    HB2  GLN  18           HB2      GLN  18   2.660  -2.559   1.547
  130    HB3  GLN  18           HB3      GLN  18   4.148  -3.468   1.284
  131    HG2  GLN  18           HG2      GLN  18   3.602  -2.134   3.933
  132    HG3  GLN  18           HG3      GLN  18   2.952  -3.733   3.573
  133   HE21  GLN  18          HE21      GLN  18   4.391  -5.517   3.700
  134   HE22  GLN  18          HE22      GLN  18   6.049  -5.361   4.025
  135    H    LEU  19           H        LEU  19   4.239  -1.543  -0.905
  136    HA   LEU  19           HA       LEU  19   6.757  -2.703  -1.623
  137    HB2  LEU  19           HB2      LEU  19   4.405  -2.070  -2.874
  138    HB3  LEU  19           HB3      LEU  19   5.458  -0.810  -3.515
  139    HG   LEU  19           HG       LEU  19   5.470  -2.828  -4.952
  140   HD11  LEU  19          HD11      LEU  19   7.523  -1.337  -4.589
  141   HD12  LEU  19          HD12      LEU  19   7.831  -2.946  -5.240
  142   HD13  LEU  19          HD13      LEU  19   8.132  -2.614  -3.534
  143   HD21  LEU  19          HD21      LEU  19   6.957  -4.331  -2.827
  144   HD22  LEU  19          HD22      LEU  19   6.015  -4.949  -4.183
  145   HD23  LEU  19          HD23      LEU  19   5.195  -4.305  -2.762
  146    H    LEU  20           H        LEU  20   5.674   0.683  -1.366
  147    HA   LEU  20           HA       LEU  20   8.106   1.919  -2.288
  148    HB2  LEU  20           HB2      LEU  20   5.593   2.732  -1.719
  149    HB3  LEU  20           HB3      LEU  20   6.389   3.228  -0.226
  150    HG   LEU  20           HG       LEU  20   7.658   3.899  -2.867
  151   HD11  LEU  20          HD11      LEU  20   6.387   5.984  -2.963
  152   HD12  LEU  20          HD12      LEU  20   5.490   5.534  -1.512
  153   HD13  LEU  20          HD13      LEU  20   5.273   4.618  -3.004
  154   HD21  LEU  20          HD21      LEU  20   7.695   4.907  -0.032
  155   HD22  LEU  20          HD22      LEU  20   8.154   5.991  -1.346
  156   HD23  LEU  20          HD23      LEU  20   9.050   4.495  -1.084
  157    H    ARG  21           H        ARG  21   6.939   0.945   0.953
  158    HA   ARG  21           HA       ARG  21   9.069   2.061   2.505
  159    HB2  ARG  21           HB2      ARG  21   6.777   0.943   3.118
  160    HB3  ARG  21           HB3      ARG  21   7.701  -0.559   3.117
  161    HG2  ARG  21           HG2      ARG  21   8.676   1.840   4.661
  162    HG3  ARG  21           HG3      ARG  21   7.479   0.747   5.356
  163    HD2  ARG  21           HD2      ARG  21   9.376  -1.009   4.352
  164    HD3  ARG  21           HD3      ARG  21  10.360   0.332   4.972
  165    HE   ARG  21           HE       ARG  21   8.498  -1.330   6.580
  166   HH11  ARG  21          HH11      ARG  21  11.491  -0.588   7.038
  167   HH12  ARG  21          HH12      ARG  21  11.335   0.463   8.404
  168   HH21  ARG  21          HH21      ARG  21   7.904   0.873   8.031
  169   HH22  ARG  21          HH22      ARG  21   9.297   1.291   8.971
  170    H    ARG  22           H        ARG  22   8.697  -1.151   0.981
  171    HA   ARG  22           HA       ARG  22  11.150  -2.321   1.866
  172    HB2  ARG  22           HB2      ARG  22   8.967  -2.845   0.062
  173    HB3  ARG  22           HB3      ARG  22  10.480  -3.216  -0.762
  174    HG2  ARG  22           HG2      ARG  22  10.642  -4.192   1.932
  175    HG3  ARG  22           HG3      ARG  22   9.143  -4.773   1.208
  176    HD2  ARG  22           HD2      ARG  22  10.447  -5.577  -0.772
  177    HD3  ARG  22           HD3      ARG  22  11.939  -5.092   0.058
  178    HE   ARG  22           HE       ARG  22  10.525  -6.651   1.914
  179   HH11  ARG  22          HH11      ARG  22  13.214  -7.480   1.118
  180   HH12  ARG  22          HH12      ARG  22  12.945  -8.951   0.247
  181   HH21  ARG  22          HH21      ARG  22   9.555  -8.346  -0.243
  182   HH22  ARG  22          HH22      ARG  22  10.862  -9.444  -0.526
  183    H    LEU  23           H        LEU  23  10.383  -0.382  -1.041
  184    HA   LEU  23           HA       LEU  23  12.927  -0.547  -2.331
  185    HB2  LEU  23           HB2      LEU  23  10.701   0.330  -3.200
  186    HB3  LEU  23           HB3      LEU  23  11.005   1.803  -2.280
  187    HG   LEU  23           HG       LEU  23  13.319   1.033  -3.883
  188   HD11  LEU  23          HD11      LEU  23  12.372   1.444  -6.076
  189   HD12  LEU  23          HD12      LEU  23  10.785   1.765  -5.379
  190   HD13  LEU  23          HD13      LEU  23  11.459   0.136  -5.325
  191   HD21  LEU  23          HD21      LEU  23  13.243   3.374  -4.491
  192   HD22  LEU  23          HD22      LEU  23  12.830   3.254  -2.780
  193   HD23  LEU  23          HD23      LEU  23  11.560   3.503  -3.978
  194    H    HIS  24           H        HIS  24  11.649   1.818   0.033
  195    HA   HIS  24           HA       HIS  24  13.990   3.481   0.156
  196    HB2  HIS  24           HB2      HIS  24  11.598   3.922   0.947
  197    HB3  HIS  24           HB3      HIS  24  11.974   2.926   2.352
  198    HD1  HIS  24           HD1      HIS  24  14.481   5.281   0.791
  199    HD2  HIS  24           HD2      HIS  24  12.069   5.072   4.185
  200    HE1  HIS  24           HE1      HIS  24  15.216   7.168   2.311
  201    H    GLN  25           H        GLN  25  12.972   0.603   1.990
  202    HA   GLN  25           HA       GLN  25  15.050   0.599   3.959
  203    HB2  GLN  25           HB2      GLN  25  12.889  -0.741   3.852
  204    HB3  GLN  25           HB3      GLN  25  13.678  -1.779   2.666
  205    HG2  GLN  25           HG2      GLN  25  15.492  -1.510   4.831
  206    HG3  GLN  25           HG3      GLN  25  13.910  -1.826   5.541
  207   HE21  GLN  25          HE21      GLN  25  15.349  -3.933   6.035
  208   HE22  GLN  25          HE22      GLN  25  15.174  -5.193   4.911
  209    H    TRP  26           H        TRP  26  14.911  -0.673   0.635
  210    HA   TRP  26           HA       TRP  26  17.439  -2.086   0.723
  211    HB2  TRP  26           HB2      TRP  26  15.296  -1.446  -1.132
  212    HB3  TRP  26           HB3      TRP  26  16.862  -1.258  -1.917
  213    HD1  TRP  26           HD1      TRP  26  14.734  -3.864  -0.073
  214    HE1  TRP  26           HE1      TRP  26  15.592  -6.214  -0.700
  215    HE3  TRP  26           HE3      TRP  26  18.860  -2.599  -2.803
  216    HZ2  TRP  26           HZ2      TRP  26  17.741  -7.399  -2.169
  217    HZ3  TRP  26           HZ3      TRP  26  20.292  -4.356  -3.805
  218    HH2  TRP  26           HH2      TRP  26  19.738  -6.752  -3.490
  219    H    ILE  27           H        ILE  27  16.496   1.252   0.043
  220    HA   ILE  27           HA       ILE  27  19.137   2.022  -0.999
  221    HB   ILE  27           HB       ILE  27  16.621   3.527  -0.205
  222   HG12  ILE  27          HG12      ILE  27  17.714   3.193  -2.990
  223   HG13  ILE  27          HG13      ILE  27  16.773   1.894  -2.258
  224   HG21  ILE  27          HG21      ILE  27  17.656   5.415  -1.510
  225   HG22  ILE  27          HG22      ILE  27  19.166   4.504  -1.536
  226   HG23  ILE  27          HG23      ILE  27  18.493   5.054  -0.001
  227   HD11  ILE  27          HD11      ILE  27  15.909   4.659  -3.023
  228   HD12  ILE  27          HD12      ILE  27  15.106   3.863  -1.669
  229   HD13  ILE  27          HD13      ILE  27  15.082   3.121  -3.269
  230    H    SER  28           H        SER  28  17.317   2.371   2.053
  231    HA   SER  28           HA       SER  28  19.548   3.872   3.304
  232    HB2  SER  28           HB2      SER  28  16.812   2.963   4.254
  233    HB3  SER  28           HB3      SER  28  17.910   3.957   5.206
  234    HG   SER  28           HG       SER  28  16.173   4.768   3.430
  Start of MODEL   15
    1    H1   SER   1           H1       SER   1 -24.241   0.515  -3.889
    2    H2   SER   1           H2       SER   1 -25.480   1.188  -2.941
    3    H3   SER   1           H3       SER   1 -24.733  -0.263  -2.465
    4    HA   SER   1           HA       SER   1 -23.466   2.432  -2.555
    5    HB2  SER   1           HB2      SER   1 -24.512   0.561  -0.428
    6    HB3  SER   1           HB3      SER   1 -23.313   1.792  -0.043
    7    HG   SER   1           HG       SER   1 -25.368   2.641   0.254
    8    H    ASP   2           H        ASP   2 -22.984  -0.913  -1.323
    9    HA   ASP   2           HA       ASP   2 -21.051  -2.248  -1.211
   10    HB2  ASP   2           HB2      ASP   2 -21.150  -0.869  -3.754
   11    HB3  ASP   2           HB3      ASP   2 -19.473  -1.128  -3.274
   12    H    ALA   3           H        ALA   3 -20.945  -0.394   0.742
   13    HA   ALA   3           HA       ALA   3 -18.748   1.463   0.687
   14    HB1  ALA   3           HB1      ALA   3 -19.078   1.386   3.164
   15    HB2  ALA   3           HB2      ALA   3 -20.131  -0.012   2.952
   16    HB3  ALA   3           HB3      ALA   3 -20.601   1.553   2.291
   17    H    ALA   4           H        ALA   4 -18.950  -1.997   1.407
   18    HA   ALA   4           HA       ALA   4 -16.451  -2.372   2.730
   19    HB1  ALA   4           HB1      ALA   4 -17.966  -4.182   0.817
   20    HB2  ALA   4           HB2      ALA   4 -18.295  -4.025   2.543
   21    HB3  ALA   4           HB3      ALA   4 -16.765  -4.710   1.996
   22    H    ALA   5           H        ALA   5 -17.273  -2.301  -0.748
   23    HA   ALA   5           HA       ALA   5 -14.705  -3.068  -1.761
   24    HB1  ALA   5           HB1      ALA   5 -16.947  -2.915  -2.958
   25    HB2  ALA   5           HB2      ALA   5 -15.589  -2.229  -3.850
   26    HB3  ALA   5           HB3      ALA   5 -16.716  -1.167  -3.005
   27    H    ARG   6           H        ARG   6 -16.067   0.143  -0.944
   28    HA   ARG   6           HA       ARG   6 -13.841   1.700  -1.862
   29    HB2  ARG   6           HB2      ARG   6 -16.148   2.508  -1.240
   30    HB3  ARG   6           HB3      ARG   6 -15.733   2.235   0.452
   31    HG2  ARG   6           HG2      ARG   6 -14.669   4.217   0.555
   32    HG3  ARG   6           HG3      ARG   6 -13.642   3.771  -0.807
   33    HD2  ARG   6           HD2      ARG   6 -14.743   5.613  -1.722
   34    HD3  ARG   6           HD3      ARG   6 -15.877   4.331  -2.190
   35    HE   ARG   6           HE       ARG   6 -16.219   5.832   0.382
   36   HH11  ARG   6          HH11      ARG   6 -17.955   3.483  -0.679
   37   HH12  ARG   6          HH12      ARG   6 -19.347   4.355  -1.231
   38   HH21  ARG   6          HH21      ARG   6 -17.756   7.448  -1.163
   39   HH22  ARG   6          HH22      ARG   6 -19.233   6.611  -1.505
   40    H    VAL   7           H        VAL   7 -14.500   0.020   1.153
   41    HA   VAL   7           HA       VAL   7 -12.290   1.034   2.692
   42    HB   VAL   7           HB       VAL   7 -13.776  -1.622   2.760
   43   HG11  VAL   7          HG11      VAL   7 -11.879  -0.288   4.699
   44   HG12  VAL   7          HG12      VAL   7 -11.804  -1.927   4.054
   45   HG13  VAL   7          HG13      VAL   7 -13.049  -1.498   5.226
   46   HG21  VAL   7          HG21      VAL   7 -14.780   0.914   3.177
   47   HG22  VAL   7          HG22      VAL   7 -14.318   0.429   4.807
   48   HG23  VAL   7          HG23      VAL   7 -15.446  -0.560   3.880
   49    H    THR   8           H        THR   8 -12.659  -1.726   0.453
   50    HA   THR   8           HA       THR   8 -10.021  -2.819   0.828
   51    HB   THR   8           HB       THR   8 -11.889  -2.916  -1.562
   52    HG1  THR   8           HG1      THR   8 -13.072  -4.131  -0.352
   53   HG21  THR   8          HG21      THR   8 -10.087  -3.994  -2.443
   54   HG22  THR   8          HG22      THR   8 -10.637  -5.334  -1.436
   55   HG23  THR   8          HG23      THR   8  -9.354  -4.268  -0.863
   56    H    ALA   9           H        ALA   9 -11.357  -0.366  -1.335
   57    HA   ALA   9           HA       ALA   9  -9.071  -0.035  -3.032
   58    HB1  ALA   9           HB1      ALA   9 -10.201   2.005  -3.694
   59    HB2  ALA   9           HB2      ALA   9 -11.100   2.047  -2.177
   60    HB3  ALA   9           HB3      ALA   9 -11.443   0.794  -3.369
   61    H    ILE  10           H        ILE  10 -10.034   1.562  -0.024
   62    HA   ILE  10           HA       ILE  10  -7.912   3.464   0.172
   63    HB   ILE  10           HB       ILE  10  -9.491   1.904   2.253
   64   HG12  ILE  10          HG12      ILE  10  -9.829   4.801   1.473
   65   HG13  ILE  10          HG13      ILE  10 -10.622   3.519   0.556
   66   HG21  ILE  10          HG21      ILE  10  -7.393   2.804   3.219
   67   HG22  ILE  10          HG22      ILE  10  -8.807   3.644   3.852
   68   HG23  ILE  10          HG23      ILE  10  -7.811   4.407   2.614
   69   HD11  ILE  10          HD11      ILE  10 -12.231   4.106   2.177
   70   HD12  ILE  10          HD12      ILE  10 -11.019   4.282   3.446
   71   HD13  ILE  10          HD13      ILE  10 -11.460   2.676   2.862
   72    H    LEU  11           H        LEU  11  -8.152   0.065   1.190
   73    HA   LEU  11           HA       LEU  11  -5.569  -0.153   2.423
   74    HB2  LEU  11           HB2      LEU  11  -7.651  -1.662   2.555
   75    HB3  LEU  11           HB3      LEU  11  -7.107  -2.341   1.019
   76    HG   LEU  11           HG       LEU  11  -4.891  -2.205   2.872
   77   HD11  LEU  11          HD11      LEU  11  -7.327  -3.761   3.800
   78   HD12  LEU  11          HD12      LEU  11  -6.651  -2.341   4.601
   79   HD13  LEU  11          HD13      LEU  11  -5.720  -3.837   4.524
   80   HD21  LEU  11          HD21      LEU  11  -5.185  -3.660   0.827
   81   HD22  LEU  11          HD22      LEU  11  -6.364  -4.604   1.738
   82   HD23  LEU  11          HD23      LEU  11  -4.683  -4.542   2.270
   83    H    SER  12           H        SER  12  -6.708  -0.678  -0.888
   84    HA   SER  12           HA       SER  12  -4.377  -1.852  -2.018
   85    HB2  SER  12           HB2      SER  12  -6.748  -1.423  -2.973
   86    HB3  SER  12           HB3      SER  12  -6.140   0.171  -3.411
   87    HG   SER  12           HG       SER  12  -4.544  -0.829  -4.646
   88    H    SER  13           H        SER  13  -5.219   1.596  -1.561
   89    HA   SER  13           HA       SER  13  -2.835   2.631  -2.848
   90    HB2  SER  13           HB2      SER  13  -4.499   3.953  -0.690
   91    HB3  SER  13           HB3      SER  13  -3.623   4.731  -2.004
   92    HG   SER  13           HG       SER  13  -5.084   3.759  -3.456
   93    H    LEU  14           H        LEU  14  -3.680   1.714   0.474
   94    HA   LEU  14           HA       LEU  14  -1.384   2.806   1.806
   95    HB2  LEU  14           HB2      LEU  14  -3.462   0.700   2.311
   96    HB3  LEU  14           HB3      LEU  14  -2.076   0.788   3.398
   97    HG   LEU  14           HG       LEU  14  -3.601   3.287   2.707
   98   HD11  LEU  14          HD11      LEU  14  -5.314   1.717   3.458
   99   HD12  LEU  14          HD12      LEU  14  -4.989   2.879   4.743
  100   HD13  LEU  14          HD13      LEU  14  -4.320   1.250   4.837
  101   HD21  LEU  14          HD21      LEU  14  -1.371   3.249   3.949
  102   HD22  LEU  14          HD22      LEU  14  -2.219   2.437   5.266
  103   HD23  LEU  14          HD23      LEU  14  -2.690   4.067   4.786
  104    H    THR  15           H        THR  15  -1.996  -0.449   0.419
  105    HA   THR  15           HA       THR  15   0.523  -1.596   1.208
  106    HB   THR  15           HB       THR  15  -0.084  -3.226  -0.672
  107    HG1  THR  15           HG1      THR  15  -1.318  -2.214  -2.069
  108   HG21  THR  15          HG21      THR  15  -0.792  -3.626   1.623
  109   HG22  THR  15          HG22      THR  15  -2.111  -4.041   0.529
  110   HG23  THR  15          HG23      THR  15  -2.154  -2.524   1.426
  111    H    VAL  16           H        VAL  16  -0.494   0.103  -1.773
  112    HA   VAL  16           HA       VAL  16   1.870  -0.309  -3.313
  113    HB   VAL  16           HB       VAL  16  -0.177   1.926  -3.147
  114   HG11  VAL  16          HG11      VAL  16   0.719   2.450  -5.516
  115   HG12  VAL  16          HG12      VAL  16   2.163   1.565  -5.024
  116   HG13  VAL  16          HG13      VAL  16   1.676   3.016  -4.146
  117   HG21  VAL  16          HG21      VAL  16  -0.478  -0.622  -4.019
  118   HG22  VAL  16          HG22      VAL  16   0.104   0.131  -5.504
  119   HG23  VAL  16          HG23      VAL  16  -1.354   0.740  -4.720
  120    H    THR  17           H        THR  17   1.049   2.298  -0.995
  121    HA   THR  17           HA       THR  17   3.509   3.764  -1.256
  122    HB   THR  17           HB       THR  17   1.549   3.499   1.054
  123    HG1  THR  17           HG1      THR  17   0.298   4.563  -0.232
  124   HG21  THR  17          HG21      THR  17   2.368   5.772   1.655
  125   HG22  THR  17          HG22      THR  17   3.588   5.643   0.386
  126   HG23  THR  17          HG23      THR  17   3.636   4.551   1.771
  127    H    GLN  18           H        GLN  18   2.477   1.223   1.059
  128    HA   GLN  18           HA       GLN  18   4.900   1.185   2.596
  129    HB2  GLN  18           HB2      GLN  18   2.455  -0.414   2.237
  130    HB3  GLN  18           HB3      GLN  18   3.852  -1.370   2.729
  131    HG2  GLN  18           HG2      GLN  18   3.077   1.196   4.133
  132    HG3  GLN  18           HG3      GLN  18   2.442  -0.373   4.622
  133   HE21  GLN  18          HE21      GLN  18   4.057   1.097   6.428
  134   HE22  GLN  18          HE22      GLN  18   5.548   0.307   6.611
  135    H    LEU  19           H        LEU  19   3.893  -0.582  -0.294
  136    HA   LEU  19           HA       LEU  19   6.064  -2.410  -0.512
  137    HB2  LEU  19           HB2      LEU  19   3.853  -2.112  -1.870
  138    HB3  LEU  19           HB3      LEU  19   4.795  -0.994  -2.860
  139    HG   LEU  19           HG       LEU  19   6.541  -2.997  -2.859
  140   HD11  LEU  19          HD11      LEU  19   5.294  -5.171  -2.962
  141   HD12  LEU  19          HD12      LEU  19   3.863  -4.332  -2.362
  142   HD13  LEU  19          HD13      LEU  19   5.304  -4.451  -1.353
  143   HD21  LEU  19          HD21      LEU  19   4.034  -3.197  -4.549
  144   HD22  LEU  19          HD22      LEU  19   5.678  -3.652  -4.999
  145   HD23  LEU  19          HD23      LEU  19   5.256  -1.951  -4.800
  146    H    LEU  20           H        LEU  20   5.743   0.975  -1.603
  147    HA   LEU  20           HA       LEU  20   8.298   1.165  -2.921
  148    HB2  LEU  20           HB2      LEU  20   6.099   2.904  -1.998
  149    HB3  LEU  20           HB3      LEU  20   7.672   3.698  -1.987
  150    HG   LEU  20           HG       LEU  20   6.590   4.032  -4.157
  151   HD11  LEU  20          HD11      LEU  20   8.694   1.955  -4.696
  152   HD12  LEU  20          HD12      LEU  20   9.134   3.448  -3.866
  153   HD13  LEU  20          HD13      LEU  20   8.438   3.510  -5.485
  154   HD21  LEU  20          HD21      LEU  20   6.073   2.108  -5.607
  155   HD22  LEU  20          HD22      LEU  20   5.155   2.014  -4.105
  156   HD23  LEU  20          HD23      LEU  20   6.580   1.000  -4.333
  157    H    ARG  21           H        ARG  21   7.226   1.849   0.427
  158    HA   ARG  21           HA       ARG  21   9.777   2.832   1.370
  159    HB2  ARG  21           HB2      ARG  21   7.400   3.059   2.350
  160    HB3  ARG  21           HB3      ARG  21   7.635   1.430   2.987
  161    HG2  ARG  21           HG2      ARG  21   9.582   2.141   4.246
  162    HG3  ARG  21           HG3      ARG  21   9.528   3.740   3.503
  163    HD2  ARG  21           HD2      ARG  21   7.726   4.428   4.790
  164    HD3  ARG  21           HD3      ARG  21   7.077   2.783   4.946
  165    HE   ARG  21           HE       ARG  21   8.582   2.394   6.751
  166   HH11  ARG  21          HH11      ARG  21  11.121   3.347   5.637
  167   HH12  ARG  21          HH12      ARG  21  11.448   4.781   6.551
  168   HH21  ARG  21          HH21      ARG  21   8.182   5.105   7.701
  169   HH22  ARG  21          HH22      ARG  21   9.777   5.781   7.725
  170    H    ARG  22           H        ARG  22   8.214  -0.377   1.385
  171    HA   ARG  22           HA       ARG  22  10.191  -1.802   2.874
  172    HB2  ARG  22           HB2      ARG  22   7.976  -2.367   0.972
  173    HB3  ARG  22           HB3      ARG  22   9.171  -3.651   1.160
  174    HG2  ARG  22           HG2      ARG  22   7.872  -2.286   3.525
  175    HG3  ARG  22           HG3      ARG  22   7.192  -3.727   2.771
  176    HD2  ARG  22           HD2      ARG  22   9.561  -4.762   3.088
  177    HD3  ARG  22           HD3      ARG  22   9.811  -3.445   4.249
  178    HE   ARG  22           HE       ARG  22   8.331  -5.744   4.863
  179   HH11  ARG  22          HH11      ARG  22   8.733  -2.789   6.152
  180   HH12  ARG  22          HH12      ARG  22   7.122  -2.571   6.750
  181   HH21  ARG  22          HH21      ARG  22   5.825  -5.275   4.989
  182   HH22  ARG  22          HH22      ARG  22   5.469  -3.988   6.091
  183    H    LEU  23           H        LEU  23   9.826  -1.352  -0.664
  184    HA   LEU  23           HA       LEU  23  12.100  -2.845  -1.496
  185    HB2  LEU  23           HB2      LEU  23  10.173  -1.805  -2.834
  186    HB3  LEU  23           HB3      LEU  23  11.070  -0.288  -2.755
  187    HG   LEU  23           HG       LEU  23  13.071  -1.766  -3.632
  188   HD11  LEU  23          HD11      LEU  23  10.604  -3.376  -4.320
  189   HD12  LEU  23          HD12      LEU  23  12.088  -3.934  -3.548
  190   HD13  LEU  23          HD13      LEU  23  12.094  -3.497  -5.257
  191   HD21  LEU  23          HD21      LEU  23  11.173  -0.068  -4.819
  192   HD22  LEU  23          HD22      LEU  23  11.268  -1.461  -5.894
  193   HD23  LEU  23          HD23      LEU  23  12.725  -0.550  -5.502
  194    H    HIS  24           H        HIS  24  11.820   0.563  -0.468
  195    HA   HIS  24           HA       HIS  24  14.514   1.353  -1.072
  196    HB2  HIS  24           HB2      HIS  24  12.198   2.299   0.534
  197    HB3  HIS  24           HB3      HIS  24  13.769   2.937   1.016
  198    HD1  HIS  24           HD1      HIS  24  15.255   3.629  -1.344
  199    HD2  HIS  24           HD2      HIS  24  11.097   3.928  -1.392
  200    HE1  HIS  24           HE1      HIS  24  14.673   5.207  -3.237
  201    H    GLN  25           H        GLN  25  13.027   0.016   1.896
  202    HA   GLN  25           HA       GLN  25  15.351   0.153   3.573
  203    HB2  GLN  25           HB2      GLN  25  13.209  -0.204   4.557
  204    HB3  GLN  25           HB3      GLN  25  12.851  -1.550   3.478
  205    HG2  GLN  25           HG2      GLN  25  14.208  -3.034   4.650
  206    HG3  GLN  25           HG3      GLN  25  15.226  -1.750   5.303
  207   HE21  GLN  25          HE21      GLN  25  14.901  -1.564   7.525
  208   HE22  GLN  25          HE22      GLN  25  13.406  -1.738   8.309
  209    H    TRP  26           H        TRP  26  14.152  -2.388   1.364
  210    HA   TRP  26           HA       TRP  26  16.153  -4.359   2.012
  211    HB2  TRP  26           HB2      TRP  26  14.323  -3.824  -0.340
  212    HB3  TRP  26           HB3      TRP  26  15.397  -5.221  -0.302
  213    HD1  TRP  26           HD1      TRP  26  11.989  -4.626   0.271
  214    HE1  TRP  26           HE1      TRP  26  10.968  -6.137   2.096
  215    HE3  TRP  26           HE3      TRP  26  16.256  -6.258   2.556
  216    HZ2  TRP  26           HZ2      TRP  26  11.846  -7.814   4.238
  217    HZ3  TRP  26           HZ3      TRP  26  16.133  -7.809   4.484
  218    HH2  TRP  26           HH2      TRP  26  13.937  -8.589   5.328
  219    H    ILE  27           H        ILE  27  16.153  -1.554  -0.124
  220    HA   ILE  27           HA       ILE  27  18.473  -2.312  -1.702
  221    HB   ILE  27           HB       ILE  27  17.021   0.279  -1.089
  222   HG12  ILE  27          HG12      ILE  27  15.950  -1.585  -2.482
  223   HG13  ILE  27          HG13      ILE  27  16.036  -0.001  -3.247
  224   HG21  ILE  27          HG21      ILE  27  18.339   1.042  -3.218
  225   HG22  ILE  27          HG22      ILE  27  19.476  -0.226  -2.757
  226   HG23  ILE  27          HG23      ILE  27  19.141   1.104  -1.648
  227   HD11  ILE  27          HD11      ILE  27  16.756  -2.018  -4.671
  228   HD12  ILE  27          HD12      ILE  27  18.192  -2.080  -3.649
  229   HD13  ILE  27          HD13      ILE  27  17.863  -0.646  -4.622
  230    H    SER  28           H        SER  28  17.973  -0.329   1.231
  231    HA   SER  28           HA       SER  28  20.822   0.335   1.477
  232    HB2  SER  28           HB2      SER  28  19.888   1.219   3.735
  233    HB3  SER  28           HB3      SER  28  19.296   1.967   2.255
  234    HG   SER  28           HG       SER  28  18.007  -0.228   3.518
  Start of MODEL   16
    1    H1   SER   1           H1       SER   1 -17.415   2.080  -4.872
    2    H2   SER   1           H2       SER   1 -17.236   3.612  -4.159
    3    H3   SER   1           H3       SER   1 -17.063   3.429  -5.838
    4    HA   SER   1           HA       SER   1 -19.199   4.328  -5.613
    5    HB2  SER   1           HB2      SER   1 -20.604   2.308  -6.216
    6    HB3  SER   1           HB3      SER   1 -19.098   2.439  -7.120
    7    HG   SER   1           HG       SER   1 -19.928   0.545  -5.322
    8    H    ASP   2           H        ASP   2 -18.826   1.574  -3.340
    9    HA   ASP   2           HA       ASP   2 -20.935   2.817  -1.610
   10    HB2  ASP   2           HB2      ASP   2 -20.044  -0.064  -1.989
   11    HB3  ASP   2           HB3      ASP   2 -21.293   0.459  -0.859
   12    H    ALA   3           H        ALA   3 -20.577   1.983   0.773
   13    HA   ALA   3           HA       ALA   3 -18.118   3.049   1.786
   14    HB1  ALA   3           HB1      ALA   3 -20.184   1.185   3.004
   15    HB2  ALA   3           HB2      ALA   3 -20.223   2.948   3.045
   16    HB3  ALA   3           HB3      ALA   3 -18.969   2.072   3.923
   17    H    ALA   4           H        ALA   4 -19.222  -0.337   1.383
   18    HA   ALA   4           HA       ALA   4 -16.897  -1.628   2.434
   19    HB1  ALA   4           HB1      ALA   4 -17.795  -3.565   1.186
   20    HB2  ALA   4           HB2      ALA   4 -18.827  -2.485   0.249
   21    HB3  ALA   4           HB3      ALA   4 -19.099  -2.683   1.980
   22    H    ALA   5           H        ALA   5 -17.692  -0.528  -0.874
   23    HA   ALA   5           HA       ALA   5 -15.363  -1.605  -2.171
   24    HB1  ALA   5           HB1      ALA   5 -17.516  -0.729  -3.200
   25    HB2  ALA   5           HB2      ALA   5 -16.047  -0.143  -3.980
   26    HB3  ALA   5           HB3      ALA   5 -16.930   0.900  -2.866
   27    H    ARG   6           H        ARG   6 -15.981   1.512  -0.539
   28    HA   ARG   6           HA       ARG   6 -13.503   2.777  -1.241
   29    HB2  ARG   6           HB2      ARG   6 -15.683   3.708  -0.181
   30    HB3  ARG   6           HB3      ARG   6 -15.013   3.147   1.351
   31    HG2  ARG   6           HG2      ARG   6 -12.987   4.587  -0.112
   32    HG3  ARG   6           HG3      ARG   6 -14.441   5.578   0.011
   33    HD2  ARG   6           HD2      ARG   6 -14.484   5.247   2.456
   34    HD3  ARG   6           HD3      ARG   6 -13.040   4.221   2.346
   35    HE   ARG   6           HE       ARG   6 -11.904   6.265   1.300
   36   HH11  ARG   6          HH11      ARG   6 -14.393   7.977   1.278
   37   HH12  ARG   6          HH12      ARG   6 -14.167   8.948   2.693
   38   HH21  ARG   6          HH21      ARG   6 -11.711   6.886   4.036
   39   HH22  ARG   6          HH22      ARG   6 -12.643   8.328   4.262
   40    H    VAL   7           H        VAL   7 -14.432   0.590   1.352
   41    HA   VAL   7           HA       VAL   7 -12.018   0.734   2.910
   42    HB   VAL   7           HB       VAL   7 -14.053  -1.487   2.471
   43   HG11  VAL   7          HG11      VAL   7 -13.255  -2.263   4.733
   44   HG12  VAL   7          HG12      VAL   7 -11.927  -1.111   4.600
   45   HG13  VAL   7          HG13      VAL   7 -12.057  -2.443   3.451
   46   HG21  VAL   7          HG21      VAL   7 -14.359   1.032   3.639
   47   HG22  VAL   7          HG22      VAL   7 -14.098  -0.044   5.012
   48   HG23  VAL   7          HG23      VAL   7 -15.415  -0.359   3.883
   49    H    THR   8           H        THR   8 -13.024  -1.275   0.133
   50    HA   THR   8           HA       THR   8 -10.674  -2.938   0.051
   51    HB   THR   8           HB       THR   8 -12.578  -2.090  -2.154
   52    HG1  THR   8           HG1      THR   8 -13.973  -3.245  -1.123
   53   HG21  THR   8          HG21      THR   8 -10.874  -4.579  -1.846
   54   HG22  THR   8          HG22      THR   8 -10.530  -3.241  -2.943
   55   HG23  THR   8          HG23      THR   8 -11.969  -4.231  -3.184
   56    H    ALA   9           H        ALA   9 -11.510   0.169  -1.411
   57    HA   ALA   9           HA       ALA   9  -9.208   0.393  -3.126
   58    HB1  ALA   9           HB1      ALA   9  -9.994   2.619  -3.449
   59    HB2  ALA   9           HB2      ALA   9 -10.717   2.672  -1.841
   60    HB3  ALA   9           HB3      ALA   9 -11.447   1.681  -3.105
   61    H    ILE  10           H        ILE  10  -9.843   1.456   0.186
   62    HA   ILE  10           HA       ILE  10  -7.405   2.893   0.636
   63    HB   ILE  10           HB       ILE  10  -9.331   1.357   2.407
   64   HG12  ILE  10          HG12      ILE  10 -10.169   3.412   1.306
   65   HG13  ILE  10          HG13      ILE  10 -10.055   3.625   3.053
   66   HG21  ILE  10          HG21      ILE  10  -8.145   2.904   4.208
   67   HG22  ILE  10          HG22      ILE  10  -6.778   2.769   3.100
   68   HG23  ILE  10          HG23      ILE  10  -7.484   1.317   3.813
   69   HD11  ILE  10          HD11      ILE  10  -7.531   4.369   2.028
   70   HD12  ILE  10          HD12      ILE  10  -8.771   5.438   2.684
   71   HD13  ILE  10          HD13      ILE  10  -8.722   5.104   0.954
   72    H    LEU  11           H        LEU  11  -8.260  -0.541   0.956
   73    HA   LEU  11           HA       LEU  11  -5.803  -1.474   2.093
   74    HB2  LEU  11           HB2      LEU  11  -8.073  -2.625   1.876
   75    HB3  LEU  11           HB3      LEU  11  -7.653  -2.933   0.192
   76    HG   LEU  11           HG       LEU  11  -5.435  -3.702   1.846
   77   HD11  LEU  11          HD11      LEU  11  -8.105  -4.927   2.609
   78   HD12  LEU  11          HD12      LEU  11  -7.091  -3.931   3.655
   79   HD13  LEU  11          HD13      LEU  11  -6.527  -5.516   3.128
   80   HD21  LEU  11          HD21      LEU  11  -5.712  -5.801   0.691
   81   HD22  LEU  11          HD22      LEU  11  -6.133  -4.525  -0.452
   82   HD23  LEU  11          HD23      LEU  11  -7.406  -5.451   0.345
   83    H    SER  12           H        SER  12  -6.867  -0.975  -1.241
   84    HA   SER  12           HA       SER  12  -4.637  -2.178  -2.582
   85    HB2  SER  12           HB2      SER  12  -6.990  -1.257  -3.362
   86    HB3  SER  12           HB3      SER  12  -6.089   0.231  -3.638
   87    HG   SER  12           HG       SER  12  -5.950  -2.229  -4.923
   88    H    SER  13           H        SER  13  -5.206   1.222  -1.564
   89    HA   SER  13           HA       SER  13  -2.654   2.171  -2.588
   90    HB2  SER  13           HB2      SER  13  -3.300   4.159  -1.098
   91    HB3  SER  13           HB3      SER  13  -4.452   3.724  -2.355
   92    HG   SER  13           HG       SER  13  -5.844   3.275  -0.850
   93    H    LEU  14           H        LEU  14  -3.775   0.931   0.543
   94    HA   LEU  14           HA       LEU  14  -1.532   1.713   2.145
   95    HB2  LEU  14           HB2      LEU  14  -3.865  -0.055   2.262
   96    HB3  LEU  14           HB3      LEU  14  -2.492  -0.711   3.149
   97    HG   LEU  14           HG       LEU  14  -3.988   0.766   4.531
   98   HD11  LEU  14          HD11      LEU  14  -1.211   1.916   4.167
   99   HD12  LEU  14          HD12      LEU  14  -1.527   0.389   4.989
  100   HD13  LEU  14          HD13      LEU  14  -2.177   1.892   5.643
  101   HD21  LEU  14          HD21      LEU  14  -2.811   3.199   3.315
  102   HD22  LEU  14          HD22      LEU  14  -4.425   2.939   3.976
  103   HD23  LEU  14          HD23      LEU  14  -4.042   2.393   2.343
  104    H    THR  15           H        THR  15  -2.151  -1.333   0.336
  105    HA   THR  15           HA       THR  15   0.340  -2.582   1.087
  106    HB   THR  15           HB       THR  15  -1.791  -3.664   0.235
  107    HG1  THR  15           HG1      THR  15   0.537  -4.321  -1.241
  108   HG21  THR  15          HG21      THR  15  -0.730  -2.655  -2.420
  109   HG22  THR  15          HG22      THR  15  -2.262  -2.219  -1.662
  110   HG23  THR  15          HG23      THR  15  -2.004  -3.862  -2.242
  111    H    VAL  16           H        VAL  16  -0.584  -0.513  -1.669
  112    HA   VAL  16           HA       VAL  16   1.799  -0.877  -3.230
  113    HB   VAL  16           HB       VAL  16  -0.260   1.331  -2.943
  114   HG11  VAL  16          HG11      VAL  16   0.706   2.053  -5.234
  115   HG12  VAL  16          HG12      VAL  16   2.146   1.151  -4.762
  116   HG13  VAL  16          HG13      VAL  16   1.604   2.520  -3.790
  117   HG21  VAL  16          HG21      VAL  16  -0.811  -0.980  -3.920
  118   HG22  VAL  16          HG22      VAL  16   0.252  -0.550  -5.258
  119   HG23  VAL  16          HG23      VAL  16  -1.193   0.408  -4.937
  120    H    THR  17           H        THR  17   0.955   1.584  -0.748
  121    HA   THR  17           HA       THR  17   3.434   3.034  -0.886
  122    HB   THR  17           HB       THR  17   1.323   2.647   1.260
  123    HG1  THR  17           HG1      THR  17   0.397   3.929  -0.123
  124   HG21  THR  17          HG21      THR  17   2.353   4.815   2.182
  125   HG22  THR  17          HG22      THR  17   3.772   4.415   1.215
  126   HG23  THR  17          HG23      THR  17   3.239   3.322   2.492
  127    H    GLN  18           H        GLN  18   2.394   0.263   1.120
  128    HA   GLN  18           HA       GLN  18   4.724   0.119   2.776
  129    HB2  GLN  18           HB2      GLN  18   2.480  -1.659   1.930
  130    HB3  GLN  18           HB3      GLN  18   3.863  -2.420   2.716
  131    HG2  GLN  18           HG2      GLN  18   3.639  -0.660   4.544
  132    HG3  GLN  18           HG3      GLN  18   2.094  -0.222   3.813
  133   HE21  GLN  18          HE21      GLN  18   0.374  -1.909   3.800
  134   HE22  GLN  18          HE22      GLN  18   0.435  -3.190   4.911
  135    H    LEU  19           H        LEU  19   3.942  -1.419  -0.312
  136    HA   LEU  19           HA       LEU  19   6.250  -3.050  -0.621
  137    HB2  LEU  19           HB2      LEU  19   4.085  -2.843  -2.021
  138    HB3  LEU  19           HB3      LEU  19   4.888  -1.504  -2.841
  139    HG   LEU  19           HG       LEU  19   6.837  -3.112  -3.252
  140   HD11  LEU  19          HD11      LEU  19   4.711  -5.030  -2.272
  141   HD12  LEU  19          HD12      LEU  19   6.364  -4.853  -1.682
  142   HD13  LEU  19          HD13      LEU  19   6.066  -5.546  -3.276
  143   HD21  LEU  19          HD21      LEU  19   5.290  -2.480  -5.039
  144   HD22  LEU  19          HD22      LEU  19   4.125  -3.684  -4.487
  145   HD23  LEU  19          HD23      LEU  19   5.666  -4.198  -5.171
  146    H    LEU  20           H        LEU  20   5.702   0.378  -1.439
  147    HA   LEU  20           HA       LEU  20   8.284   0.879  -2.616
  148    HB2  LEU  20           HB2      LEU  20   5.895   2.341  -1.713
  149    HB3  LEU  20           HB3      LEU  20   7.383   3.269  -1.526
  150    HG   LEU  20           HG       LEU  20   7.836   2.321  -3.987
  151   HD11  LEU  20          HD11      LEU  20   4.812   2.492  -3.784
  152   HD12  LEU  20          HD12      LEU  20   5.739   1.015  -4.046
  153   HD13  LEU  20          HD13      LEU  20   5.731   2.280  -5.275
  154   HD21  LEU  20          HD21      LEU  20   6.674   4.440  -4.828
  155   HD22  LEU  20          HD22      LEU  20   7.854   4.672  -3.538
  156   HD23  LEU  20          HD23      LEU  20   6.129   4.685  -3.169
  157    H    ARG  21           H        ARG  21   7.021   1.163   0.724
  158    HA   ARG  21           HA       ARG  21   9.301   2.395   1.927
  159    HB2  ARG  21           HB2      ARG  21   7.048   0.605   2.813
  160    HB3  ARG  21           HB3      ARG  21   8.333   0.996   3.955
  161    HG2  ARG  21           HG2      ARG  21   6.861   3.124   2.385
  162    HG3  ARG  21           HG3      ARG  21   6.313   2.566   3.965
  163    HD2  ARG  21           HD2      ARG  21   9.075   3.062   4.280
  164    HD3  ARG  21           HD3      ARG  21   8.441   4.438   3.356
  165    HE   ARG  21           HE       ARG  21   6.785   4.800   5.141
  166   HH11  ARG  21          HH11      ARG  21   6.601   2.093   6.323
  167   HH12  ARG  21          HH12      ARG  21   7.533   2.242   7.776
  168   HH21  ARG  21          HH21      ARG  21   9.132   5.158   6.764
  169   HH22  ARG  21          HH22      ARG  21   8.972   3.983   8.025
  170    H    ARG  22           H        ARG  22   8.525  -1.055   1.388
  171    HA   ARG  22           HA       ARG  22  10.804  -2.209   2.677
  172    HB2  ARG  22           HB2      ARG  22   8.576  -3.130   1.533
  173    HB3  ARG  22           HB3      ARG  22   9.643  -3.332   0.152
  174    HG2  ARG  22           HG2      ARG  22  11.244  -4.552   1.710
  175    HG3  ARG  22           HG3      ARG  22   9.944  -4.558   2.901
  176    HD2  ARG  22           HD2      ARG  22   9.770  -6.652   1.732
  177    HD3  ARG  22           HD3      ARG  22   8.483  -5.631   1.065
  178    HE   ARG  22           HE       ARG  22  11.133  -6.070  -0.267
  179   HH11  ARG  22          HH21      ARG  22   8.442  -7.276  -1.173
  180   HH12  ARG  22          HH22      ARG  22   8.050  -6.224  -2.491
  181   HH21  ARG  22          HH11      ARG  22  10.371  -3.799  -1.597
  182   HH22  ARG  22          HH12      ARG  22   9.145  -4.250  -2.734
  183    H    LEU  23           H        LEU  23  10.252  -1.275  -0.720
  184    HA   LEU  23           HA       LEU  23  12.814  -1.964  -1.773
  185    HB2  LEU  23           HB2      LEU  23  10.596  -1.275  -2.910
  186    HB3  LEU  23           HB3      LEU  23  11.115   0.389  -2.635
  187    HG   LEU  23           HG       LEU  23  13.261  -1.221  -3.774
  188   HD11  LEU  23          HD11      LEU  23  12.298  -1.633  -5.951
  189   HD12  LEU  23          HD12      LEU  23  10.784  -0.859  -5.483
  190   HD13  LEU  23          HD13      LEU  23  11.251  -2.396  -4.753
  191   HD21  LEU  23          HD21      LEU  23  12.936   1.332  -3.642
  192   HD22  LEU  23          HD22      LEU  23  11.816   1.140  -4.991
  193   HD23  LEU  23          HD23      LEU  23  13.509   0.683  -5.179
  194    H    HIS  24           H        HIS  24  11.644   1.057  -0.258
  195    HA   HIS  24           HA       HIS  24  13.967   2.666  -0.705
  196    HB2  HIS  24           HB2      HIS  24  11.669   2.588   1.230
  197    HB3  HIS  24           HB3      HIS  24  12.986   3.719   1.528
  198    HD1  HIS  24           HD1      HIS  24  12.163   2.947  -2.028
  199    HD2  HIS  24           HD2      HIS  24  11.225   5.886   0.778
  200    HE1  HIS  24           HE1      HIS  24  11.097   4.850  -3.312
  201    H    GLN  25           H        GLN  25  13.098   0.498   2.012
  202    HA   GLN  25           HA       GLN  25  15.379   0.995   3.662
  203    HB2  GLN  25           HB2      GLN  25  13.206  -0.278   4.149
  204    HB3  GLN  25           HB3      GLN  25  13.932  -1.646   3.306
  205    HG2  GLN  25           HG2      GLN  25  15.828  -1.629   4.874
  206    HG3  GLN  25           HG3      GLN  25  15.135  -0.239   5.710
  207   HE21  GLN  25          HE21      GLN  25  14.676  -1.284   7.730
  208   HE22  GLN  25          HE22      GLN  25  13.565  -2.559   7.875
  209    H    TRP  26           H        TRP  26  14.888  -1.153   0.878
  210    HA   TRP  26           HA       TRP  26  17.364  -2.618   1.087
  211    HB2  TRP  26           HB2      TRP  26  15.160  -2.992  -0.285
  212    HB3  TRP  26           HB3      TRP  26  15.935  -1.961  -1.487
  213    HD1  TRP  26           HD1      TRP  26  16.255  -5.359   0.213
  214    HE1  TRP  26           HE1      TRP  26  17.918  -6.805  -1.128
  215    HE3  TRP  26           HE3      TRP  26  17.985  -1.877  -3.094
  216    HZ2  TRP  26           HZ2      TRP  26  19.741  -6.520  -3.315
  217    HZ3  TRP  26           HZ3      TRP  26  19.681  -2.488  -4.795
  218    HH2  TRP  26           HH2      TRP  26  20.560  -4.803  -4.909
  219    H    ILE  27           H        ILE  27  16.517   0.548  -0.220
  220    HA   ILE  27           HA       ILE  27  19.043   0.872  -1.695
  221    HB   ILE  27           HB       ILE  27  16.826   2.815  -0.948
  222   HG12  ILE  27          HG12      ILE  27  15.939   0.987  -2.291
  223   HG13  ILE  27          HG13      ILE  27  16.080   2.415  -3.312
  224   HG21  ILE  27          HG21      ILE  27  17.732   4.034  -3.000
  225   HG22  ILE  27          HG22      ILE  27  19.143   2.982  -2.887
  226   HG23  ILE  27          HG23      ILE  27  18.755   4.082  -1.564
  227   HD11  ILE  27          HD11      ILE  27  16.966   0.604  -4.596
  228   HD12  ILE  27          HD12      ILE  27  17.909   0.008  -3.231
  229   HD13  ILE  27          HD13      ILE  27  18.363   1.517  -4.023
  230    H    SER  28           H        SER  28  17.586   2.154   1.320
  231    HA   SER  28           HA       SER  28  20.320   2.723   2.347
  232    HB2  SER  28           HB2      SER  28  19.432   5.038   3.003
  233    HB3  SER  28           HB3      SER  28  19.750   4.786   1.290
  234    HG   SER  28           HG       SER  28  17.743   5.436   1.122
  Start of MODEL   17
    1    H1   SER   1           H1       SER   1 -21.956  -4.515  -0.018
    2    H2   SER   1           H2       SER   1 -20.396  -3.929  -0.356
    3    H3   SER   1           H3       SER   1 -21.599  -3.893  -1.556
    4    HA   SER   1           HA       SER   1 -22.843  -2.230  -0.377
    5    HB2  SER   1           HB2      SER   1 -20.737  -2.806   1.729
    6    HB3  SER   1           HB3      SER   1 -21.877  -1.468   1.833
    7    HG   SER   1           HG       SER   1 -22.935  -3.050   2.842
    8    H    ASP   2           H        ASP   2 -22.349  -0.032  -0.794
    9    HA   ASP   2           HA       ASP   2 -20.086   0.571  -2.443
   10    HB2  ASP   2           HB2      ASP   2 -22.314   1.737  -2.359
   11    HB3  ASP   2           HB3      ASP   2 -21.838   2.445  -0.815
   12    H    ALA   3           H        ALA   3 -20.776   1.652   0.921
   13    HA   ALA   3           HA       ALA   3 -18.309   2.924   1.466
   14    HB1  ALA   3           HB1      ALA   3 -20.155   1.314   3.262
   15    HB2  ALA   3           HB2      ALA   3 -20.306   3.032   2.891
   16    HB3  ALA   3           HB3      ALA   3 -18.936   2.450   3.838
   17    H    ALA   4           H        ALA   4 -19.190  -0.524   1.736
   18    HA   ALA   4           HA       ALA   4 -16.779  -1.454   2.978
   19    HB1  ALA   4           HB1      ALA   4 -18.618  -2.846   1.002
   20    HB2  ALA   4           HB2      ALA   4 -18.943  -2.691   2.730
   21    HB3  ALA   4           HB3      ALA   4 -17.560  -3.634   2.172
   22    H    ALA   5           H        ALA   5 -17.684  -1.004  -0.450
   23    HA   ALA   5           HA       ALA   5 -15.302  -2.126  -1.602
   24    HB1  ALA   5           HB1      ALA   5 -16.184  -1.248  -3.599
   25    HB2  ALA   5           HB2      ALA   5 -16.839   0.176  -2.793
   26    HB3  ALA   5           HB3      ALA   5 -17.627  -1.389  -2.596
   27    H    ARG   6           H        ARG   6 -16.089   1.114  -0.369
   28    HA   ARG   6           HA       ARG   6 -13.741   2.457  -1.347
   29    HB2  ARG   6           HB2      ARG   6 -15.477   2.931   1.100
   30    HB3  ARG   6           HB3      ARG   6 -14.350   4.107   0.425
   31    HG2  ARG   6           HG2      ARG   6 -16.073   3.105  -1.663
   32    HG3  ARG   6           HG3      ARG   6 -17.049   3.699  -0.319
   33    HD2  ARG   6           HD2      ARG   6 -15.444   5.767  -0.377
   34    HD3  ARG   6           HD3      ARG   6 -15.073   5.209  -2.022
   35    HE   ARG   6           HE       ARG   6 -17.752   6.076  -1.062
   36   HH11  ARG   6          HH21      ARG   6 -18.046   3.782  -2.933
   37   HH12  ARG   6          HH22      ARG   6 -18.118   4.560  -4.477
   38   HH21  ARG   6          HH11      ARG   6 -16.811   7.565  -3.311
   39   HH22  ARG   6          HH12      ARG   6 -17.411   6.712  -4.693
   40    H    VAL   7           H        VAL   7 -14.444   0.596   1.552
   41    HA   VAL   7           HA       VAL   7 -11.997   1.092   2.979
   42    HB   VAL   7           HB       VAL   7 -13.892  -1.290   2.924
   43   HG11  VAL   7          HG11      VAL   7 -12.968  -1.596   5.296
   44   HG12  VAL   7          HG12      VAL   7 -11.663  -0.511   4.814
   45   HG13  VAL   7          HG13      VAL   7 -11.889  -2.046   3.974
   46   HG21  VAL   7          HG21      VAL   7 -13.971   1.399   4.140
   47   HG22  VAL   7          HG22      VAL   7 -14.320   0.087   5.265
   48   HG23  VAL   7          HG23      VAL   7 -15.290   0.277   3.806
   49    H    THR   8           H        THR   8 -12.961  -1.313   0.528
   50    HA   THR   8           HA       THR   8 -10.515  -2.837   0.565
   51    HB   THR   8           HB       THR   8 -12.492  -2.410  -1.694
   52    HG1  THR   8           HG1      THR   8 -13.864  -3.404  -0.481
   53   HG21  THR   8          HG21      THR   8 -10.393  -3.639  -2.247
   54   HG22  THR   8          HG22      THR   8 -11.830  -4.651  -2.383
   55   HG23  THR   8          HG23      THR   8 -10.775  -4.803  -0.977
   56    H    ALA   9           H        ALA   9 -11.613  -0.026  -1.282
   57    HA   ALA   9           HA       ALA   9  -9.423   0.118  -3.124
   58    HB1  ALA   9           HB1      ALA   9 -10.199   2.592  -3.156
   59    HB2  ALA   9           HB2      ALA   9 -11.409   2.080  -1.979
   60    HB3  ALA   9           HB3      ALA   9 -11.390   1.365  -3.590
   61    H    ILE  10           H        ILE  10  -9.904   1.546   0.078
   62    HA   ILE  10           HA       ILE  10  -7.501   3.103   0.193
   63    HB   ILE  10           HB       ILE  10  -9.144   1.679   2.322
   64   HG12  ILE  10          HG12      ILE  10  -9.092   4.641   1.783
   65   HG13  ILE  10          HG13      ILE  10 -10.081   3.589   0.770
   66   HG21  ILE  10          HG21      ILE  10  -8.024   3.677   3.691
   67   HG22  ILE  10          HG22      ILE  10  -6.746   3.463   2.494
   68   HG23  ILE  10          HG23      ILE  10  -7.219   2.116   3.531
   69   HD11  ILE  10          HD11      ILE  10 -10.332   4.169   3.706
   70   HD12  ILE  10          HD12      ILE  10 -10.912   2.628   3.074
   71   HD13  ILE  10          HD13      ILE  10 -11.585   4.140   2.466
   72    H    LEU  11           H        LEU  11  -8.202  -0.292   0.987
   73    HA   LEU  11           HA       LEU  11  -5.630  -1.003   2.023
   74    HB2  LEU  11           HB2      LEU  11  -8.002  -2.184   1.947
   75    HB3  LEU  11           HB3      LEU  11  -7.360  -2.898   0.468
   76    HG   LEU  11           HG       LEU  11  -5.289  -3.517   1.870
   77   HD11  LEU  11          HD11      LEU  11  -5.888  -3.819   4.324
   78   HD12  LEU  11          HD12      LEU  11  -7.277  -2.772   4.031
   79   HD13  LEU  11          HD13      LEU  11  -5.641  -2.149   3.813
   80   HD21  LEU  11          HD21      LEU  11  -6.355  -5.567   2.664
   81   HD22  LEU  11          HD22      LEU  11  -7.053  -5.120   1.108
   82   HD23  LEU  11          HD23      LEU  11  -7.942  -4.802   2.597
   83    H    SER  12           H        SER  12  -6.965  -0.992  -1.258
   84    HA   SER  12           HA       SER  12  -4.840  -2.314  -2.628
   85    HB2  SER  12           HB2      SER  12  -6.716  -0.084  -3.479
   86    HB3  SER  12           HB3      SER  12  -5.757  -1.054  -4.592
   87    HG   SER  12           HG       SER  12  -7.344  -2.417  -4.489
   88    H    SER  13           H        SER  13  -5.302   1.155  -1.874
   89    HA   SER  13           HA       SER  13  -2.814   1.999  -3.130
   90    HB2  SER  13           HB2      SER  13  -4.946   3.157  -1.371
   91    HB3  SER  13           HB3      SER  13  -3.425   4.032  -1.515
   92    HG   SER  13           HG       SER  13  -3.902   4.515  -3.519
   93    H    LEU  14           H        LEU  14  -3.791   1.061   0.154
   94    HA   LEU  14           HA       LEU  14  -1.494   1.920   1.601
   95    HB2  LEU  14           HB2      LEU  14  -3.851   0.321   1.958
   96    HB3  LEU  14           HB3      LEU  14  -2.481  -0.559   2.633
   97    HG   LEU  14           HG       LEU  14  -1.836   1.485   3.908
   98   HD11  LEU  14          HD11      LEU  14  -4.364   2.537   2.622
   99   HD12  LEU  14          HD12      LEU  14  -2.754   3.252   2.589
  100   HD13  LEU  14          HD13      LEU  14  -3.687   3.248   4.086
  101   HD21  LEU  14          HD21      LEU  14  -3.213  -0.216   4.998
  102   HD22  LEU  14          HD22      LEU  14  -4.676   0.489   4.311
  103   HD23  LEU  14          HD23      LEU  14  -3.746   1.383   5.514
  104    H    THR  15           H        THR  15  -2.119  -1.190  -0.086
  105    HA   THR  15           HA       THR  15   0.339  -2.471   0.648
  106    HB   THR  15           HB       THR  15  -0.238  -3.616  -1.715
  107    HG1  THR  15           HG1      THR  15  -1.761  -2.156  -2.386
  108   HG21  THR  15          HG21      THR  15  -1.938  -4.988  -0.483
  109   HG22  THR  15          HG22      THR  15  -1.860  -3.814   0.831
  110   HG23  THR  15          HG23      THR  15  -0.433  -4.759   0.406
  111    H    VAL  16           H        VAL  16  -0.503  -0.348  -2.095
  112    HA   VAL  16           HA       VAL  16   1.948  -0.565  -3.551
  113    HB   VAL  16           HB       VAL  16  -0.040   1.712  -3.199
  114   HG11  VAL  16          HG11      VAL  16   0.871   2.447  -5.447
  115   HG12  VAL  16          HG12      VAL  16   2.193   1.305  -5.208
  116   HG13  VAL  16          HG13      VAL  16   1.987   2.660  -4.098
  117   HG21  VAL  16          HG21      VAL  16  -1.347   0.222  -4.314
  118   HG22  VAL  16          HG22      VAL  16   0.027  -0.793  -4.752
  119   HG23  VAL  16          HG23      VAL  16  -0.360   0.633  -5.716
  120    H    THR  17           H        THR  17   0.971   1.614  -0.883
  121    HA   THR  17           HA       THR  17   3.397   3.162  -0.792
  122    HB   THR  17           HB       THR  17   1.561   2.466   1.521
  123    HG1  THR  17           HG1      THR  17   1.187   4.309  -0.604
  124   HG21  THR  17          HG21      THR  17   3.497   3.809   2.123
  125   HG22  THR  17          HG22      THR  17   2.060   4.830   2.154
  126   HG23  THR  17          HG23      THR  17   3.178   4.923   0.794
  127    H    GLN  18           H        GLN  18   2.384   0.152   0.848
  128    HA   GLN  18           HA       GLN  18   4.662  -0.116   2.561
  129    HB2  GLN  18           HB2      GLN  18   2.328  -1.618   1.738
  130    HB3  GLN  18           HB3      GLN  18   3.730  -2.684   1.836
  131    HG2  GLN  18           HG2      GLN  18   3.203  -0.724   4.053
  132    HG3  GLN  18           HG3      GLN  18   2.298  -2.236   3.994
  133   HE21  GLN  18          HE21      GLN  18   5.664  -0.965   4.057
  134   HE22  GLN  18          HE22      GLN  18   6.335  -2.357   4.758
  135    H    LEU  19           H        LEU  19   4.056  -1.175  -0.752
  136    HA   LEU  19           HA       LEU  19   6.405  -2.753  -1.157
  137    HB2  LEU  19           HB2      LEU  19   4.268  -2.292  -2.613
  138    HB3  LEU  19           HB3      LEU  19   5.200  -0.938  -3.249
  139    HG   LEU  19           HG       LEU  19   6.501  -3.636  -3.128
  140   HD11  LEU  19          HD11      LEU  19   5.548  -4.279  -5.262
  141   HD12  LEU  19          HD12      LEU  19   4.654  -2.763  -5.369
  142   HD13  LEU  19          HD13      LEU  19   4.222  -3.957  -4.144
  143   HD21  LEU  19          HD21      LEU  19   6.743  -1.071  -4.651
  144   HD22  LEU  19          HD22      LEU  19   7.239  -2.558  -5.460
  145   HD23  LEU  19          HD23      LEU  19   8.007  -2.079  -3.947
  146    H    LEU  20           H        LEU  20   5.801   0.745  -1.487
  147    HA   LEU  20           HA       LEU  20   8.405   1.493  -2.456
  148    HB2  LEU  20           HB2      LEU  20   6.004   2.705  -2.112
  149    HB3  LEU  20           HB3      LEU  20   6.845   3.323  -0.691
  150    HG   LEU  20           HG       LEU  20   8.244   3.389  -3.345
  151   HD11  LEU  20          HD11      LEU  20   6.160   5.380  -2.394
  152   HD12  LEU  20          HD12      LEU  20   6.049   4.358  -3.826
  153   HD13  LEU  20          HD13      LEU  20   7.258   5.640  -3.749
  154   HD21  LEU  20          HD21      LEU  20   9.612   4.084  -1.550
  155   HD22  LEU  20          HD22      LEU  20   8.287   4.926  -0.747
  156   HD23  LEU  20          HD23      LEU  20   9.006   5.603  -2.209
  157    H    ARG  21           H        ARG  21   7.023   1.164   0.824
  158    HA   ARG  21           HA       ARG  21   9.213   2.215   2.331
  159    HB2  ARG  21           HB2      ARG  21   7.073   0.129   2.834
  160    HB3  ARG  21           HB3      ARG  21   8.219   0.596   4.089
  161    HG2  ARG  21           HG2      ARG  21   7.315   3.031   3.059
  162    HG3  ARG  21           HG3      ARG  21   5.869   2.023   3.112
  163    HD2  ARG  21           HD2      ARG  21   7.641   1.907   5.512
  164    HD3  ARG  21           HD3      ARG  21   6.720   3.403   5.271
  165    HE   ARG  21           HE       ARG  21   4.965   1.206   4.795
  166   HH11  ARG  21          HH21      ARG  21   4.350   3.486   6.640
  167   HH12  ARG  21          HH22      ARG  21   4.287   2.700   8.182
  168   HH21  ARG  21          HH11      ARG  21   5.922  -0.163   7.087
  169   HH22  ARG  21          HH12      ARG  21   5.180   0.629   8.437
  170    H    ARG  22           H        ARG  22   8.508  -1.128   1.263
  171    HA   ARG  22           HA       ARG  22  10.783  -2.420   2.401
  172    HB2  ARG  22           HB2      ARG  22   8.724  -2.898   0.335
  173    HB3  ARG  22           HB3      ARG  22  10.222  -3.794   0.075
  174    HG2  ARG  22           HG2      ARG  22  10.036  -4.957   2.098
  175    HG3  ARG  22           HG3      ARG  22   8.969  -3.745   2.809
  176    HD2  ARG  22           HD2      ARG  22   7.413  -5.410   2.304
  177    HD3  ARG  22           HD3      ARG  22   7.375  -4.494   0.786
  178    HE   ARG  22           HE       ARG  22   9.492  -6.301   0.483
  179   HH11  ARG  22          HH11      ARG  22   7.732  -8.056   2.221
  180   HH12  ARG  22          HH12      ARG  22   6.797  -8.895   1.029
  181   HH21  ARG  22          HH21      ARG  22   7.588  -6.681  -1.531
  182   HH22  ARG  22          HH22      ARG  22   6.714  -8.113  -1.103
  183    H    LEU  23           H        LEU  23  10.343  -0.810  -0.760
  184    HA   LEU  23           HA       LEU  23  12.887  -1.454  -1.904
  185    HB2  LEU  23           HB2      LEU  23  10.806  -0.462  -2.985
  186    HB3  LEU  23           HB3      LEU  23  11.257   1.082  -2.263
  187    HG   LEU  23           HG       LEU  23  13.519  -0.146  -3.624
  188   HD11  LEU  23          HD11      LEU  23  11.715  -1.110  -5.035
  189   HD12  LEU  23          HD12      LEU  23  12.671   0.082  -5.914
  190   HD13  LEU  23          HD13      LEU  23  11.075   0.512  -5.299
  191   HD21  LEU  23          HD21      LEU  23  13.745   2.061  -4.535
  192   HD22  LEU  23          HD22      LEU  23  13.146   2.273  -2.890
  193   HD23  LEU  23          HD23      LEU  23  12.042   2.422  -4.257
  194    H    HIS  24           H        HIS  24  11.832   1.313   0.104
  195    HA   HIS  24           HA       HIS  24  14.298   2.770   0.085
  196    HB2  HIS  24           HB2      HIS  24  12.075   3.616   0.807
  197    HB3  HIS  24           HB3      HIS  24  12.131   2.543   2.205
  198    HD1  HIS  24           HD1      HIS  24  13.698   5.660   0.797
  199    HD2  HIS  24           HD2      HIS  24  13.870   3.383   4.285
  200    HE1  HIS  24           HE1      HIS  24  14.991   7.035   2.487
  201    H    GLN  25           H        GLN  25  13.072   0.187   2.216
  202    HA   GLN  25           HA       GLN  25  15.231   0.230   4.124
  203    HB2  GLN  25           HB2      GLN  25  13.373  -1.997   3.210
  204    HB3  GLN  25           HB3      GLN  25  14.318  -2.012   4.699
  205    HG2  GLN  25           HG2      GLN  25  12.856   0.457   4.573
  206    HG3  GLN  25           HG3      GLN  25  11.738  -0.875   4.279
  207   HE21  GLN  25          HE21      GLN  25  11.792  -2.692   5.948
  208   HE22  GLN  25          HE22      GLN  25  12.183  -2.295   7.551
  209    H    TRP  26           H        TRP  26  14.758  -1.472   1.036
  210    HA   TRP  26           HA       TRP  26  17.027  -3.231   1.202
  211    HB2  TRP  26           HB2      TRP  26  14.941  -3.090  -0.397
  212    HB3  TRP  26           HB3      TRP  26  15.978  -2.037  -1.358
  213    HD1  TRP  26           HD1      TRP  26  18.417  -3.121  -2.076
  214    HE1  TRP  26           HE1      TRP  26  18.975  -5.551  -2.727
  215    HE3  TRP  26           HE3      TRP  26  14.373  -5.522  -0.083
  216    HZ2  TRP  26           HZ2      TRP  26  17.855  -8.169  -2.442
  217    HZ3  TRP  26           HZ3      TRP  26  14.144  -7.980  -0.287
  218    HH2  TRP  26           HH2      TRP  26  15.878  -9.306  -1.462
  219    H    ILE  27           H        ILE  27  16.655   0.128   0.126
  220    HA   ILE  27           HA       ILE  27  19.363   0.333  -0.972
  221    HB   ILE  27           HB       ILE  27  17.217   2.356  -0.236
  222   HG12  ILE  27          HG12      ILE  27  18.004   1.617  -3.035
  223   HG13  ILE  27          HG13      ILE  27  16.969   0.510  -2.133
  224   HG21  ILE  27          HG21      ILE  27  18.515   3.847  -1.816
  225   HG22  ILE  27          HG22      ILE  27  19.818   2.660  -1.762
  226   HG23  ILE  27          HG23      ILE  27  19.336   3.508  -0.293
  227   HD11  ILE  27          HD11      ILE  27  15.361   1.879  -3.083
  228   HD12  ILE  27          HD12      ILE  27  16.407   3.299  -3.061
  229   HD13  ILE  27          HD13      ILE  27  15.644   2.741  -1.571
  230    H    SER  28           H        SER  28  17.797   0.971   2.135
  231    HA   SER  28           HA       SER  28  20.032   2.504   3.238
  232    HB2  SER  28           HB2      SER  28  17.529   1.216   4.357
  233    HB3  SER  28           HB3      SER  28  18.651   2.140   5.352
  234    HG   SER  28           HG       SER  28  16.935   2.975   3.303
  Start of MODEL   18
    1    H1   SER   1           H1       SER   1 -23.376  -0.200  -2.949
    2    H2   SER   1           H2       SER   1 -23.246  -0.518  -1.284
    3    H3   SER   1           H3       SER   1 -23.794  -1.729  -2.343
    4    HA   SER   1           HA       SER   1 -21.423  -2.001  -1.603
    5    HB2  SER   1           HB2      SER   1 -21.944  -1.571  -4.564
    6    HB3  SER   1           HB3      SER   1 -20.807  -2.710  -3.847
    7    HG   SER   1           HG       SER   1 -22.958  -3.527  -4.519
    8    H    ASP   2           H        ASP   2 -21.276   0.508  -0.778
    9    HA   ASP   2           HA       ASP   2 -19.261   1.834  -2.566
   10    HB2  ASP   2           HB2      ASP   2 -21.508   3.024  -0.906
   11    HB3  ASP   2           HB3      ASP   2 -20.277   3.978  -1.736
   12    H    ALA   3           H        ALA   3 -20.513   1.802   0.811
   13    HA   ALA   3           HA       ALA   3 -18.211   2.972   2.033
   14    HB1  ALA   3           HB1      ALA   3 -19.181   1.809   4.081
   15    HB2  ALA   3           HB2      ALA   3 -20.350   1.052   3.000
   16    HB3  ALA   3           HB3      ALA   3 -20.324   2.806   3.183
   17    H    ALA   4           H        ALA   4 -19.106  -0.494   1.720
   18    HA   ALA   4           HA       ALA   4 -16.713  -1.562   2.877
   19    HB1  ALA   4           HB1      ALA   4 -18.592  -2.699   0.779
   20    HB2  ALA   4           HB2      ALA   4 -18.842  -2.781   2.523
   21    HB3  ALA   4           HB3      ALA   4 -17.491  -3.640   1.784
   22    H    ALA   5           H        ALA   5 -17.553  -0.751  -0.502
   23    HA   ALA   5           HA       ALA   5 -15.203  -1.820  -1.744
   24    HB1  ALA   5           HB1      ALA   5 -17.358  -1.053  -2.826
   25    HB2  ALA   5           HB2      ALA   5 -15.909  -0.431  -3.616
   26    HB3  ALA   5           HB3      ALA   5 -16.844   0.610  -2.541
   27    H    ARG   6           H        ARG   6 -15.897   1.420  -0.389
   28    HA   ARG   6           HA       ARG   6 -13.421   2.651  -1.116
   29    HB2  ARG   6           HB2      ARG   6 -15.720   3.120   0.644
   30    HB3  ARG   6           HB3      ARG   6 -14.224   3.782   1.302
   31    HG2  ARG   6           HG2      ARG   6 -15.179   5.506  -0.061
   32    HG3  ARG   6           HG3      ARG   6 -13.825   4.844  -0.976
   33    HD2  ARG   6           HD2      ARG   6 -15.257   4.430  -2.683
   34    HD3  ARG   6           HD3      ARG   6 -16.095   3.262  -1.644
   35    HE   ARG   6           HE       ARG   6 -17.634   5.011  -0.973
   36   HH11  ARG   6          HH21      ARG   6 -15.879   7.388  -0.994
   37   HH12  ARG   6          HH22      ARG   6 -16.390   8.238  -2.413
   38   HH21  ARG   6          HH11      ARG   6 -18.019   5.490  -3.788
   39   HH22  ARG   6          HH12      ARG   6 -17.607   7.158  -4.002
   40    H    VAL   7           H        VAL   7 -14.345   0.648   1.624
   41    HA   VAL   7           HA       VAL   7 -11.956   0.956   3.195
   42    HB   VAL   7           HB       VAL   7 -13.953  -1.320   2.891
   43   HG11  VAL   7          HG11      VAL   7 -13.112  -1.835   5.280
   44   HG12  VAL   7          HG12      VAL   7 -11.710  -0.850   4.860
   45   HG13  VAL   7          HG13      VAL   7 -12.071  -2.310   3.938
   46   HG21  VAL   7          HG21      VAL   7 -15.294  -0.179   4.330
   47   HG22  VAL   7          HG22      VAL   7 -14.342   1.231   3.867
   48   HG23  VAL   7          HG23      VAL   7 -13.935   0.334   5.329
   49    H    THR   8           H        THR   8 -12.873  -1.256   0.546
   50    HA   THR   8           HA       THR   8 -10.472  -2.854   0.607
   51    HB   THR   8           HB       THR   8 -12.336  -2.232  -1.705
   52    HG1  THR   8           HG1      THR   8 -13.768  -3.358  -0.685
   53   HG21  THR   8          HG21      THR   8 -10.747  -4.738  -1.101
   54   HG22  THR   8          HG22      THR   8 -10.199  -3.474  -2.202
   55   HG23  THR   8          HG23      THR   8 -11.666  -4.386  -2.564
   56    H    ALA   9           H        ALA   9 -11.395   0.111  -1.077
   57    HA   ALA   9           HA       ALA   9  -9.107   0.303  -2.802
   58    HB1  ALA   9           HB1      ALA   9  -9.843   2.842  -2.575
   59    HB2  ALA   9           HB2      ALA   9 -11.213   2.138  -1.715
   60    HB3  ALA   9           HB3      ALA   9 -10.894   1.684  -3.389
   61    H    ILE  10           H        ILE  10  -9.739   1.511   0.460
   62    HA   ILE  10           HA       ILE  10  -7.363   3.047   0.847
   63    HB   ILE  10           HB       ILE  10  -9.134   1.407   2.694
   64   HG12  ILE  10          HG12      ILE  10  -8.903   4.410   2.558
   65   HG13  ILE  10          HG13      ILE  10  -9.908   3.542   1.398
   66   HG21  ILE  10          HG21      ILE  10  -8.072   2.950   4.484
   67   HG22  ILE  10          HG22      ILE  10  -6.769   3.178   3.316
   68   HG23  ILE  10          HG23      ILE  10  -7.127   1.566   3.935
   69   HD11  ILE  10          HD11      ILE  10 -11.459   3.934   3.079
   70   HD12  ILE  10          HD12      ILE  10 -10.250   3.828   4.360
   71   HD13  ILE  10          HD13      ILE  10 -10.838   2.361   3.578
   72    H    LEU  11           H        LEU  11  -8.031  -0.422   1.312
   73    HA   LEU  11           HA       LEU  11  -5.438  -1.158   2.318
   74    HB2  LEU  11           HB2      LEU  11  -7.804  -2.355   2.204
   75    HB3  LEU  11           HB3      LEU  11  -7.161  -2.995   0.691
   76    HG   LEU  11           HG       LEU  11  -5.433  -3.118   3.135
   77   HD11  LEU  11          HD11      LEU  11  -7.560  -3.970   3.963
   78   HD12  LEU  11          HD12      LEU  11  -6.467  -5.327   3.693
   79   HD13  LEU  11          HD13      LEU  11  -7.750  -4.983   2.532
   80   HD21  LEU  11          HD21      LEU  11  -5.804  -4.605   0.549
   81   HD22  LEU  11          HD22      LEU  11  -5.034  -5.421   1.911
   82   HD23  LEU  11          HD23      LEU  11  -4.327  -3.946   1.253
   83    H    SER  12           H        SER  12  -6.838  -1.056  -0.933
   84    HA   SER  12           HA       SER  12  -4.679  -2.238  -2.386
   85    HB2  SER  12           HB2      SER  12  -6.838  -0.220  -3.027
   86    HB3  SER  12           HB3      SER  12  -5.706  -0.776  -4.256
   87    HG   SER  12           HG       SER  12  -7.808  -2.082  -3.037
   88    H    SER  13           H        SER  13  -5.323   1.174  -1.508
   89    HA   SER  13           HA       SER  13  -3.062   2.341  -2.826
   90    HB2  SER  13           HB2      SER  13  -4.598   3.103  -0.317
   91    HB3  SER  13           HB3      SER  13  -3.480   4.175  -1.156
   92    HG   SER  13           HG       SER  13  -4.886   4.412  -2.742
   93    H    LEU  14           H        LEU  14  -3.477   0.921   0.415
   94    HA   LEU  14           HA       LEU  14  -0.903   1.567   1.491
   95    HB2  LEU  14           HB2      LEU  14  -3.196  -0.181   2.046
   96    HB3  LEU  14           HB3      LEU  14  -1.669  -0.895   2.560
   97    HG   LEU  14           HG       LEU  14  -1.488   1.786   3.354
   98   HD11  LEU  14          HD11      LEU  14  -3.835   2.186   3.047
   99   HD12  LEU  14          HD12      LEU  14  -3.582   1.967   4.778
  100   HD13  LEU  14          HD13      LEU  14  -4.259   0.655   3.814
  101   HD21  LEU  14          HD21      LEU  14  -0.612  -0.074   4.635
  102   HD22  LEU  14          HD22      LEU  14  -2.228  -0.739   4.865
  103   HD23  LEU  14          HD23      LEU  14  -1.777   0.774   5.650
  104    H    THR  15           H        THR  15  -2.062  -1.257  -0.379
  105    HA   THR  15           HA       THR  15   0.257  -2.870  -0.344
  106    HB   THR  15           HB       THR  15  -1.687  -2.336  -2.621
  107    HG1  THR  15           HG1      THR  15  -3.047  -3.165  -1.271
  108   HG21  THR  15          HG21      THR  15   0.053  -4.732  -1.979
  109   HG22  THR  15          HG22      THR  15   0.248  -3.641  -3.350
  110   HG23  THR  15          HG23      THR  15  -1.170  -4.684  -3.247
  111    H    VAL  16           H        VAL  16  -0.553  -0.132  -2.500
  112    HA   VAL  16           HA       VAL  16   1.800  -0.285  -4.153
  113    HB   VAL  16           HB       VAL  16  -0.015   2.035  -3.390
  114   HG11  VAL  16          HG11      VAL  16   2.143   1.700  -5.464
  115   HG12  VAL  16          HG12      VAL  16   1.843   3.065  -4.389
  116   HG13  VAL  16          HG13      VAL  16   0.782   2.780  -5.768
  117   HG21  VAL  16          HG21      VAL  16  -0.886   1.422  -5.787
  118   HG22  VAL  16          HG22      VAL  16  -1.413   0.451  -4.414
  119   HG23  VAL  16          HG23      VAL  16  -0.132  -0.140  -5.471
  120    H    THR  17           H        THR  17   1.034   1.607  -1.208
  121    HA   THR  17           HA       THR  17   3.567   2.975  -1.031
  122    HB   THR  17           HB       THR  17   1.675   2.173   1.206
  123    HG1  THR  17           HG1      THR  17   0.282   3.452   0.333
  124   HG21  THR  17          HG21      THR  17   2.602   3.912   2.435
  125   HG22  THR  17          HG22      THR  17   3.135   4.782   0.997
  126   HG23  THR  17          HG23      THR  17   4.015   3.354   1.540
  127    H    GLN  18           H        GLN  18   2.355  -0.103   0.311
  128    HA   GLN  18           HA       GLN  18   4.538  -0.759   1.995
  129    HB2  GLN  18           HB2      GLN  18   2.265  -2.074   0.678
  130    HB3  GLN  18           HB3      GLN  18   3.626  -3.161   0.947
  131    HG2  GLN  18           HG2      GLN  18   2.534  -3.372   2.980
  132    HG3  GLN  18           HG3      GLN  18   3.623  -2.038   3.353
  133   HE21  GLN  18          HE21      GLN  18   2.654   0.221   3.122
  134   HE22  GLN  18          HE22      GLN  18   0.991   0.416   3.394
  135    H    LEU  19           H        LEU  19   4.074  -1.329  -1.469
  136    HA   LEU  19           HA       LEU  19   6.431  -2.863  -1.986
  137    HB2  LEU  19           HB2      LEU  19   4.724  -0.928  -3.569
  138    HB3  LEU  19           HB3      LEU  19   6.122  -1.710  -4.305
  139    HG   LEU  19           HG       LEU  19   4.190  -3.443  -2.825
  140   HD11  LEU  19          HD11      LEU  19   2.677  -3.576  -4.704
  141   HD12  LEU  19          HD12      LEU  19   3.682  -2.483  -5.655
  142   HD13  LEU  19          HD13      LEU  19   2.810  -1.879  -4.246
  143   HD21  LEU  19          HD21      LEU  19   6.363  -4.179  -3.968
  144   HD22  LEU  19          HD22      LEU  19   5.556  -3.835  -5.498
  145   HD23  LEU  19          HD23      LEU  19   4.911  -5.073  -4.420
  146    H    LEU  20           H        LEU  20   5.854   0.662  -2.081
  147    HA   LEU  20           HA       LEU  20   8.566   1.437  -2.677
  148    HB2  LEU  20           HB2      LEU  20   6.147   2.648  -2.618
  149    HB3  LEU  20           HB3      LEU  20   6.769   3.187  -1.057
  150    HG   LEU  20           HG       LEU  20   8.547   3.384  -3.464
  151   HD11  LEU  20          HD11      LEU  20   6.491   4.388  -4.268
  152   HD12  LEU  20          HD12      LEU  20   7.615   5.684  -3.856
  153   HD13  LEU  20          HD13      LEU  20   6.291   5.283  -2.761
  154   HD21  LEU  20          HD21      LEU  20   8.275   4.587  -0.748
  155   HD22  LEU  20          HD22      LEU  20   8.917   5.626  -2.019
  156   HD23  LEU  20          HD23      LEU  20   9.729   4.111  -1.626
  157    H    ARG  21           H        ARG  21   6.754   0.943   0.358
  158    HA   ARG  21           HA       ARG  21   8.658   1.934   2.225
  159    HB2  ARG  21           HB2      ARG  21   6.176   0.798   2.279
  160    HB3  ARG  21           HB3      ARG  21   7.149  -0.533   2.905
  161    HG2  ARG  21           HG2      ARG  21   7.743   0.613   4.812
  162    HG3  ARG  21           HG3      ARG  21   7.680   2.184   4.014
  163    HD2  ARG  21           HD2      ARG  21   5.809   2.049   5.575
  164    HD3  ARG  21           HD3      ARG  21   5.154   1.941   3.929
  165    HE   ARG  21           HE       ARG  21   4.585  -0.318   4.359
  166   HH11  ARG  21          HH11      ARG  21   4.391   0.386   7.269
  167   HH12  ARG  21          HH12      ARG  21   5.420  -0.798   8.000
  168   HH21  ARG  21          HH21      ARG  21   6.984  -1.660   5.017
  169   HH22  ARG  21          HH22      ARG  21   6.892  -1.964   6.718
  170    H    ARG  22           H        ARG  22   8.373  -1.285   0.700
  171    HA   ARG  22           HA       ARG  22  10.505  -2.563   2.160
  172    HB2  ARG  22           HB2      ARG  22   8.960  -2.980  -0.378
  173    HB3  ARG  22           HB3      ARG  22  10.413  -3.946  -0.123
  174    HG2  ARG  22           HG2      ARG  22   9.520  -4.653   2.093
  175    HG3  ARG  22           HG3      ARG  22   8.041  -3.751   1.755
  176    HD2  ARG  22           HD2      ARG  22   8.240  -5.259  -0.521
  177    HD3  ARG  22           HD3      ARG  22   8.926  -6.366   0.686
  178    HE   ARG  22           HE       ARG  22   6.160  -5.341   0.666
  179   HH11  ARG  22          HH21      ARG  22   6.672  -8.191   1.156
  180   HH12  ARG  22          HH22      ARG  22   6.558  -8.329   2.878
  181   HH21  ARG  22          HH11      ARG  22   6.904  -4.915   3.437
  182   HH22  ARG  22          HH12      ARG  22   6.686  -6.468   4.173
  183    H    LEU  23           H        LEU  23  10.403  -0.911  -1.009
  184    HA   LEU  23           HA       LEU  23  13.120  -1.251  -1.780
  185    HB2  LEU  23           HB2      LEU  23  11.152  -0.368  -3.113
  186    HB3  LEU  23           HB3      LEU  23  11.324   1.155  -2.242
  187    HG   LEU  23           HG       LEU  23  13.872   0.231  -3.328
  188   HD11  LEU  23          HD11      LEU  23  12.528  -0.737  -5.103
  189   HD12  LEU  23          HD12      LEU  23  13.253   0.753  -5.707
  190   HD13  LEU  23          HD13      LEU  23  11.558   0.731  -5.223
  191   HD21  LEU  23          HD21      LEU  23  12.279   2.731  -3.953
  192   HD22  LEU  23          HD22      LEU  23  14.029   2.523  -4.017
  193   HD23  LEU  23          HD23      LEU  23  13.200   2.535  -2.461
  194    H    HIS  24           H        HIS  24  11.574   1.299   0.197
  195    HA   HIS  24           HA       HIS  24  13.920   2.915   0.594
  196    HB2  HIS  24           HB2      HIS  24  11.277   3.155   1.084
  197    HB3  HIS  24           HB3      HIS  24  11.816   2.703   2.701
  198    HD1  HIS  24           HD1      HIS  24  14.148   4.172   3.405
  199    HD2  HIS  24           HD2      HIS  24  11.441   5.878   0.732
  200    HE1  HIS  24           HE1      HIS  24  14.600   6.664   3.421
  201    H    GLN  25           H        GLN  25  12.527   0.189   2.427
  202    HA   GLN  25           HA       GLN  25  14.262   0.256   4.695
  203    HB2  GLN  25           HB2      GLN  25  12.108  -1.109   4.126
  204    HB3  GLN  25           HB3      GLN  25  13.222  -2.266   3.399
  205    HG2  GLN  25           HG2      GLN  25  13.436  -3.139   5.475
  206    HG3  GLN  25           HG3      GLN  25  14.407  -1.715   5.846
  207   HE21  GLN  25          HE21      GLN  25  13.684  -0.695   7.720
  208   HE22  GLN  25          HE22      GLN  25  12.067  -0.611   8.225
  209    H    TRP  26           H        TRP  26  14.650  -1.193   1.470
  210    HA   TRP  26           HA       TRP  26  17.109  -2.614   2.030
  211    HB2  TRP  26           HB2      TRP  26  15.590  -3.153   0.176
  212    HB3  TRP  26           HB3      TRP  26  15.841  -1.553  -0.521
  213    HD1  TRP  26           HD1      TRP  26  17.658  -4.868   0.109
  214    HE1  TRP  26           HE1      TRP  26  19.696  -4.999  -1.466
  215    HE3  TRP  26           HE3      TRP  26  17.509  -0.185  -1.915
  216    HZ2  TRP  26           HZ2      TRP  26  21.079  -3.334  -3.338
  217    HZ3  TRP  26           HZ3      TRP  26  19.194   0.519  -3.589
  218    HH2  TRP  26           HH2      TRP  26  20.979  -1.049  -4.303
  219    H    ILE  27           H        ILE  27  16.343   0.676   0.935
  220    HA   ILE  27           HA       ILE  27  19.087   1.390   0.248
  221    HB   ILE  27           HB       ILE  27  16.559   2.984   0.799
  222   HG12  ILE  27          HG12      ILE  27  17.889   2.458  -1.863
  223   HG13  ILE  27          HG13      ILE  27  16.719   1.326  -1.183
  224   HG21  ILE  27          HG21      ILE  27  17.737   4.826  -0.401
  225   HG22  ILE  27          HG22      ILE  27  19.208   3.853  -0.402
  226   HG23  ILE  27          HG23      ILE  27  18.521   4.413   1.123
  227   HD11  ILE  27          HD11      ILE  27  15.140   3.316  -0.929
  228   HD12  ILE  27          HD12      ILE  27  15.459   2.794  -2.583
  229   HD13  ILE  27          HD13      ILE  27  16.271   4.220  -1.936
  230    H    SER  28           H        SER  28  17.072   1.617   3.160
  231    HA   SER  28           HA       SER  28  17.593   2.241   5.369
  232    HB2  SER  28           HB2      SER  28  20.320   1.577   4.217
  233    HB3  SER  28           HB3      SER  28  20.059   1.911   5.925
  234    HG   SER  28           HG       SER  28  19.070  -0.203   4.335
  Start of MODEL   19
    1    H1   SER   1           H1       SER   1 -21.621   5.690  -3.608
    2    H2   SER   1           H2       SER   1 -23.104   4.893  -3.391
    3    H3   SER   1           H3       SER   1 -23.025   6.301  -4.338
    4    HA   SER   1           HA       SER   1 -23.180   4.367  -5.775
    5    HB2  SER   1           HB2      SER   1 -20.444   5.685  -5.690
    6    HB3  SER   1           HB3      SER   1 -21.191   4.954  -7.108
    7    HG   SER   1           HG       SER   1 -21.865   6.960  -7.346
    8    H    ASP   2           H        ASP   2 -19.958   4.324  -4.165
    9    HA   ASP   2           HA       ASP   2 -20.230   1.390  -3.759
   10    HB2  ASP   2           HB2      ASP   2 -18.180   0.957  -4.995
   11    HB3  ASP   2           HB3      ASP   2 -19.259   1.883  -6.035
   12    H    ALA   3           H        ALA   3 -20.310   3.261  -1.718
   13    HA   ALA   3           HA       ALA   3 -17.932   4.175  -0.529
   14    HB1  ALA   3           HB1      ALA   3 -20.409   2.967   0.745
   15    HB2  ALA   3           HB2      ALA   3 -20.212   4.651   0.258
   16    HB3  ALA   3           HB3      ALA   3 -19.244   3.996   1.579
   17    H    ALA   4           H        ALA   4 -19.422   0.927  -0.198
   18    HA   ALA   4           HA       ALA   4 -17.498  -0.157   1.632
   19    HB1  ALA   4           HB1      ALA   4 -19.140  -1.533  -0.522
   20    HB2  ALA   4           HB2      ALA   4 -19.754  -1.079   1.069
   21    HB3  ALA   4           HB3      ALA   4 -18.480  -2.291   0.928
   22    H    ALA   5           H        ALA   5 -17.629  -0.140  -1.945
   23    HA   ALA   5           HA       ALA   5 -15.294  -1.759  -2.383
   24    HB1  ALA   5           HB1      ALA   5 -17.102  -1.158  -4.033
   25    HB2  ALA   5           HB2      ALA   5 -15.475  -0.879  -4.654
   26    HB3  ALA   5           HB3      ALA   5 -16.445   0.478  -4.085
   27    H    ARG   6           H        ARG   6 -15.734   1.761  -1.957
   28    HA   ARG   6           HA       ARG   6 -13.037   2.529  -2.547
   29    HB2  ARG   6           HB2      ARG   6 -15.407   3.647  -1.115
   30    HB3  ARG   6           HB3      ARG   6 -13.850   4.419  -0.813
   31    HG2  ARG   6           HG2      ARG   6 -13.669   4.294  -3.465
   32    HG3  ARG   6           HG3      ARG   6 -15.429   4.263  -3.349
   33    HD2  ARG   6           HD2      ARG   6 -15.400   6.345  -2.025
   34    HD3  ARG   6           HD3      ARG   6 -13.626   6.375  -2.104
   35    HE   ARG   6           HE       ARG   6 -15.462   6.913  -4.355
   36   HH11  ARG   6          HH21      ARG   6 -13.474   5.056  -5.464
   37   HH12  ARG   6          HH22      ARG   6 -12.166   6.097  -5.921
   38   HH21  ARG   6          HH11      ARG   6 -13.262   8.761  -3.971
   39   HH22  ARG   6          HH12      ARG   6 -12.046   8.204  -5.071
   40    H    VAL   7           H        VAL   7 -14.611   1.402   0.394
   41    HA   VAL   7           HA       VAL   7 -12.446   1.852   2.231
   42    HB   VAL   7           HB       VAL   7 -14.688  -0.204   2.130
   43   HG11  VAL   7          HG11      VAL   7 -14.296  -0.343   4.618
   44   HG12  VAL   7          HG12      VAL   7 -12.805   0.569   4.378
   45   HG13  VAL   7          HG13      VAL   7 -12.990  -1.025   3.648
   46   HG21  VAL   7          HG21      VAL   7 -16.034   1.416   2.966
   47   HG22  VAL   7          HG22      VAL   7 -14.790   2.556   2.453
   48   HG23  VAL   7          HG23      VAL   7 -14.807   1.955   4.111
   49    H    THR   8           H        THR   8 -13.298  -0.865   0.074
   50    HA   THR   8           HA       THR   8 -11.198  -2.647   0.901
   51    HB   THR   8           HB       THR   8 -12.541  -2.384  -1.806
   52    HG1  THR   8           HG1      THR   8 -14.284  -2.884  -0.779
   53   HG21  THR   8          HG21      THR   8 -10.638  -3.953  -1.722
   54   HG22  THR   8          HG22      THR   8 -12.163  -4.815  -1.924
   55   HG23  THR   8          HG23      THR   8 -11.377  -4.772  -0.346
   56    H    ALA   9           H        ALA   9 -11.384  -0.074  -1.511
   57    HA   ALA   9           HA       ALA   9  -8.854  -0.533  -2.785
   58    HB1  ALA   9           HB1      ALA   9 -10.935   0.982  -3.357
   59    HB2  ALA   9           HB2      ALA   9  -9.326   1.501  -3.857
   60    HB3  ALA   9           HB3      ALA   9 -10.066   2.192  -2.413
   61    H    ILE  10           H        ILE  10  -9.797   1.422   0.005
   62    HA   ILE  10           HA       ILE  10  -7.290   2.702   0.502
   63    HB   ILE  10           HB       ILE  10  -9.832   2.116   1.900
   64   HG12  ILE  10          HG12      ILE  10  -9.390   4.512   2.661
   65   HG13  ILE  10          HG13      ILE  10  -7.925   4.457   1.682
   66   HG21  ILE  10          HG21      ILE  10  -8.913   2.788   4.136
   67   HG22  ILE  10          HG22      ILE  10  -7.286   2.586   3.483
   68   HG23  ILE  10          HG23      ILE  10  -8.365   1.196   3.609
   69   HD11  ILE  10          HD11      ILE  10  -9.606   5.414   0.280
   70   HD12  ILE  10          HD12      ILE  10 -10.788   4.191   0.747
   71   HD13  ILE  10          HD13      ILE  10  -9.416   3.748  -0.268
   72    H    LEU  11           H        LEU  11  -8.572  -0.474   1.481
   73    HA   LEU  11           HA       LEU  11  -6.374  -1.281   3.140
   74    HB2  LEU  11           HB2      LEU  11  -8.627  -2.333   3.075
   75    HB3  LEU  11           HB3      LEU  11  -8.295  -2.902   1.439
   76    HG   LEU  11           HG       LEU  11  -6.183  -4.003   2.503
   77   HD11  LEU  11          HD11      LEU  11  -6.341  -2.904   4.684
   78   HD12  LEU  11          HD12      LEU  11  -6.549  -4.644   4.881
   79   HD13  LEU  11          HD13      LEU  11  -7.952  -3.577   4.932
   80   HD21  LEU  11          HD21      LEU  11  -8.948  -5.058   3.178
   81   HD22  LEU  11          HD22      LEU  11  -7.478  -6.017   3.005
   82   HD23  LEU  11          HD23      LEU  11  -8.173  -5.207   1.601
   83    H    SER  12           H        SER  12  -7.043  -1.606  -0.315
   84    HA   SER  12           HA       SER  12  -4.702  -3.173  -0.977
   85    HB2  SER  12           HB2      SER  12  -6.387  -1.274  -2.646
   86    HB3  SER  12           HB3      SER  12  -5.318  -2.522  -3.279
   87    HG   SER  12           HG       SER  12  -6.931  -3.835  -3.035
   88    H    SER  13           H        SER  13  -5.430   0.318  -0.968
   89    HA   SER  13           HA       SER  13  -3.017   1.305  -2.108
   90    HB2  SER  13           HB2      SER  13  -5.080   2.312  -0.160
   91    HB3  SER  13           HB3      SER  13  -3.666   3.300  -0.518
   92    HG   SER  13           HG       SER  13  -4.523   3.756  -2.378
   93    H    LEU  14           H        LEU  14  -3.786   0.316   1.226
   94    HA   LEU  14           HA       LEU  14  -1.454   1.283   2.549
   95    HB2  LEU  14           HB2      LEU  14  -3.466  -0.910   2.929
   96    HB3  LEU  14           HB3      LEU  14  -2.040  -0.900   3.966
   97    HG   LEU  14           HG       LEU  14  -3.454   1.697   3.614
   98   HD11  LEU  14          HD11      LEU  14  -5.325   0.118   3.899
   99   HD12  LEU  14          HD12      LEU  14  -5.116   1.106   5.344
  100   HD13  LEU  14          HD13      LEU  14  -4.541  -0.561   5.326
  101   HD21  LEU  14          HD21      LEU  14  -2.524   2.149   5.687
  102   HD22  LEU  14          HD22      LEU  14  -1.369   0.950   5.104
  103   HD23  LEU  14          HD23      LEU  14  -2.645   0.474   6.224
  104    H    THR  15           H        THR  15  -2.069  -1.828   0.890
  105    HA   THR  15           HA       THR  15   0.456  -3.062   1.414
  106    HB   THR  15           HB       THR  15  -1.090  -3.398  -1.158
  107    HG1  THR  15           HG1      THR  15  -2.809  -3.717  -0.013
  108   HG21  THR  15          HG21      THR  15  -0.604  -5.808  -0.641
  109   HG22  THR  15          HG22      THR  15   0.324  -5.268   0.758
  110   HG23  THR  15          HG23      THR  15   0.841  -4.823  -0.868
  111    H    VAL  16           H        VAL  16  -0.626  -0.915  -1.224
  112    HA   VAL  16           HA       VAL  16   1.737  -0.998  -2.829
  113    HB   VAL  16           HB       VAL  16  -0.312   1.197  -2.338
  114   HG11  VAL  16          HG11      VAL  16   1.544   2.224  -3.436
  115   HG12  VAL  16          HG12      VAL  16   0.379   1.862  -4.709
  116   HG13  VAL  16          HG13      VAL  16   1.789   0.826  -4.483
  117   HG21  VAL  16          HG21      VAL  16  -1.576  -0.548  -3.195
  118   HG22  VAL  16          HG22      VAL  16  -0.208  -1.255  -4.053
  119   HG23  VAL  16          HG23      VAL  16  -1.009   0.177  -4.699
  120    H    THR  17           H        THR  17   0.811   1.156  -0.116
  121    HA   THR  17           HA       THR  17   3.102   2.862  -0.162
  122    HB   THR  17           HB       THR  17   1.522   1.913   2.253
  123    HG1  THR  17           HG1      THR  17  -0.117   2.819   1.340
  124   HG21  THR  17          HG21      THR  17   3.489   3.317   2.745
  125   HG22  THR  17          HG22      THR  17   1.992   4.183   3.090
  126   HG23  THR  17          HG23      THR  17   2.898   4.540   1.619
  127    H    GLN  18           H        GLN  18   2.510  -0.208   1.594
  128    HA   GLN  18           HA       GLN  18   4.982  -0.357   2.998
  129    HB2  GLN  18           HB2      GLN  18   2.809  -2.170   2.108
  130    HB3  GLN  18           HB3      GLN  18   4.341  -2.957   2.487
  131    HG2  GLN  18           HG2      GLN  18   4.293  -2.282   4.720
  132    HG3  GLN  18           HG3      GLN  18   3.233  -0.911   4.386
  133   HE21  GLN  18          HE21      GLN  18   3.297  -4.350   5.118
  134   HE22  GLN  18          HE22      GLN  18   1.615  -4.549   5.222
  135    H    LEU  19           H        LEU  19   4.102  -1.409  -0.253
  136    HA   LEU  19           HA       LEU  19   6.476  -2.754  -1.028
  137    HB2  LEU  19           HB2      LEU  19   4.117  -2.194  -2.175
  138    HB3  LEU  19           HB3      LEU  19   5.058  -0.906  -2.922
  139    HG   LEU  19           HG       LEU  19   5.013  -2.972  -4.307
  140   HD11  LEU  19          HD11      LEU  19   7.044  -1.322  -4.045
  141   HD12  LEU  19          HD12      LEU  19   7.253  -2.829  -4.938
  142   HD13  LEU  19          HD13      LEU  19   7.821  -2.704  -3.273
  143   HD21  LEU  19          HD21      LEU  19   5.102  -4.370  -2.028
  144   HD22  LEU  19          HD22      LEU  19   6.831  -4.336  -2.367
  145   HD23  LEU  19          HD23      LEU  19   5.717  -5.032  -3.542
  146    H    LEU  20           H        LEU  20   5.664   0.722  -1.083
  147    HA   LEU  20           HA       LEU  20   8.108   1.651  -2.289
  148    HB2  LEU  20           HB2      LEU  20   5.661   2.681  -1.402
  149    HB3  LEU  20           HB3      LEU  20   6.848   3.459  -0.358
  150    HG   LEU  20           HG       LEU  20   6.458   4.792  -2.395
  151   HD11  LEU  20          HD11      LEU  20   9.183   3.513  -2.642
  152   HD12  LEU  20          HD12      LEU  20   8.767   4.554  -1.280
  153   HD13  LEU  20          HD13      LEU  20   8.735   5.195  -2.923
  154   HD21  LEU  20          HD21      LEU  20   6.817   3.955  -4.577
  155   HD22  LEU  20          HD22      LEU  20   5.942   2.655  -3.768
  156   HD23  LEU  20          HD23      LEU  20   7.688   2.540  -3.986
  157    H    ARG  21           H        ARG  21   7.124   1.132   1.112
  158    HA   ARG  21           HA       ARG  21   9.392   2.279   2.402
  159    HB2  ARG  21           HB2      ARG  21   7.249   0.309   2.989
  160    HB3  ARG  21           HB3      ARG  21   8.675   0.200   4.019
  161    HG2  ARG  21           HG2      ARG  21   7.450   1.783   5.188
  162    HG3  ARG  21           HG3      ARG  21   8.388   2.837   4.129
  163    HD2  ARG  21           HD2      ARG  21   6.551   3.141   2.629
  164    HD3  ARG  21           HD3      ARG  21   5.644   1.800   3.359
  165    HE   ARG  21           HE       ARG  21   5.070   3.219   5.179
  166   HH11  ARG  21          HH11      ARG  21   5.719   5.236   2.772
  167   HH12  ARG  21          HH12      ARG  21   6.456   6.505   3.693
  168   HH21  ARG  21          HH21      ARG  21   6.802   4.579   6.567
  169   HH22  ARG  21          HH22      ARG  21   7.069   6.132   5.849
  170    H    ARG  22           H        ARG  22   8.840  -1.105   1.344
  171    HA   ARG  22           HA       ARG  22  11.401  -2.124   2.141
  172    HB2  ARG  22           HB2      ARG  22   9.061  -2.917   0.551
  173    HB3  ARG  22           HB3      ARG  22  10.565  -3.622  -0.042
  174    HG2  ARG  22           HG2      ARG  22  10.644  -5.057   1.688
  175    HG3  ARG  22           HG3      ARG  22  10.493  -3.736   2.846
  176    HD2  ARG  22           HD2      ARG  22   8.211  -4.004   3.060
  177    HD3  ARG  22           HD3      ARG  22   8.014  -4.535   1.378
  178    HE   ARG  22           HE       ARG  22   9.122  -6.258   3.563
  179   HH11  ARG  22          HH11      ARG  22   9.576  -6.570   0.434
  180   HH12  ARG  22          HH12      ARG  22   8.499  -7.894   0.135
  181   HH21  ARG  22          HH21      ARG  22   6.895  -7.623   3.209
  182   HH22  ARG  22          HH22      ARG  22   6.974  -8.490   1.712
  183    H    LEU  23           H        LEU  23  10.263  -0.657  -0.910
  184    HA   LEU  23           HA       LEU  23  12.591  -1.121  -2.499
  185    HB2  LEU  23           HB2      LEU  23  10.118   0.050  -2.786
  186    HB3  LEU  23           HB3      LEU  23  11.176   1.458  -2.840
  187    HG   LEU  23           HG       LEU  23  10.835   0.574  -5.102
  188   HD11  LEU  23          HD11      LEU  23  13.624  -0.169  -4.191
  189   HD12  LEU  23          HD12      LEU  23  13.084   1.501  -4.369
  190   HD13  LEU  23          HD13      LEU  23  13.133   0.435  -5.773
  191   HD21  LEU  23          HD21      LEU  23  11.463  -1.671  -5.716
  192   HD22  LEU  23          HD22      LEU  23  10.406  -1.795  -4.311
  193   HD23  LEU  23          HD23      LEU  23  12.150  -1.975  -4.122
  194    H    HIS  24           H        HIS  24  11.759   1.551  -0.279
  195    HA   HIS  24           HA       HIS  24  14.107   3.152  -0.745
  196    HB2  HIS  24           HB2      HIS  24  11.899   2.909   1.241
  197    HB3  HIS  24           HB3      HIS  24  13.342   3.762   1.788
  198    HD1  HIS  24           HD1      HIS  24  11.532   3.775  -1.584
  199    HD2  HIS  24           HD2      HIS  24  12.849   6.436   1.344
  200    HE1  HIS  24           HE1      HIS  24  11.017   6.100  -2.445
  201    H    GLN  25           H        GLN  25  13.368   0.538   1.560
  202    HA   GLN  25           HA       GLN  25  15.756   0.680   3.136
  203    HB2  GLN  25           HB2      GLN  25  13.773  -0.552   3.812
  204    HB3  GLN  25           HB3      GLN  25  13.866  -1.574   2.379
  205    HG2  GLN  25           HG2      GLN  25  16.368  -1.900   3.525
  206    HG3  GLN  25           HG3      GLN  25  15.304  -1.799   4.928
  207   HE21  GLN  25          HE21      GLN  25  14.894  -3.944   5.541
  208   HE22  GLN  25          HE22      GLN  25  14.413  -5.175   4.477
  209    H    TRP  26           H        TRP  26  15.008  -1.027   0.093
  210    HA   TRP  26           HA       TRP  26  17.500  -2.489  -0.070
  211    HB2  TRP  26           HB2      TRP  26  15.091  -2.580  -1.298
  212    HB3  TRP  26           HB3      TRP  26  16.008  -1.707  -2.526
  213    HD1  TRP  26           HD1      TRP  26  15.621  -5.099  -0.925
  214    HE1  TRP  26           HE1      TRP  26  17.142  -6.796  -2.129
  215    HE3  TRP  26           HE3      TRP  26  18.353  -1.921  -3.846
  216    HZ2  TRP  26           HZ2      TRP  26  19.241  -6.805  -4.074
  217    HZ3  TRP  26           HZ3      TRP  26  20.103  -2.800  -5.362
  218    HH2  TRP  26           HH2      TRP  26  20.551  -5.236  -5.480
  219    H    ILE  27           H        ILE  27  16.460   0.721  -1.205
  220    HA   ILE  27           HA       ILE  27  18.932   1.162  -2.744
  221    HB   ILE  27           HB       ILE  27  16.540   2.862  -1.968
  222   HG12  ILE  27          HG12      ILE  27  17.403   1.868  -4.696
  223   HG13  ILE  27          HG13      ILE  27  16.332   0.937  -3.648
  224   HG21  ILE  27          HG21      ILE  27  18.405   4.379  -2.231
  225   HG22  ILE  27          HG22      ILE  27  17.441   4.462  -3.704
  226   HG23  ILE  27          HG23      ILE  27  18.946   3.542  -3.685
  227   HD11  ILE  27          HD11      ILE  27  15.823   3.755  -4.651
  228   HD12  ILE  27          HD12      ILE  27  14.762   2.853  -3.568
  229   HD13  ILE  27          HD13      ILE  27  15.017   2.293  -5.221
  230    H    SER  28           H        SER  28  17.459   2.571   0.214
  231    HA   SER  28           HA       SER  28  18.438   3.654   2.061
  232    HB2  SER  28           HB2      SER  28  19.699   1.346   1.718
  233    HB3  SER  28           HB3      SER  28  21.053   2.390   1.298
  234    HG   SER  28           HG       SER  28  20.914   3.343   3.300
  Start of MODEL   20
    1    H1   SER   1           H1       SER   1 -20.512  -0.567  -8.119
    2    H2   SER   1           H2       SER   1 -21.497   0.716  -8.637
    3    H3   SER   1           H3       SER   1 -21.966  -0.237  -7.310
    4    HA   SER   1           HA       SER   1 -19.618   1.598  -7.412
    5    HB2  SER   1           HB2      SER   1 -22.458   1.757  -6.576
    6    HB3  SER   1           HB3      SER   1 -21.305   2.419  -5.420
    7    HG   SER   1           HG       SER   1 -22.187   3.749  -7.321
    8    H    ASP   2           H        ASP   2 -21.728  -0.150  -5.080
    9    HA   ASP   2           HA       ASP   2 -21.205  -1.346  -3.126
   10    HB2  ASP   2           HB2      ASP   2 -19.079  -1.934  -5.141
   11    HB3  ASP   2           HB3      ASP   2 -18.821  -2.511  -3.495
   12    H    ALA   3           H        ALA   3 -21.030   0.518  -1.733
   13    HA   ALA   3           HA       ALA   3 -18.775   2.204  -1.387
   14    HB1  ALA   3           HB1      ALA   3 -21.065   2.463  -0.404
   15    HB2  ALA   3           HB2      ALA   3 -19.789   2.649   0.799
   16    HB3  ALA   3           HB3      ALA   3 -20.702   1.144   0.708
   17    H    ALA   4           H        ALA   4 -19.469  -1.014  -0.026
   18    HA   ALA   4           HA       ALA   4 -17.324  -1.184   1.851
   19    HB1  ALA   4           HB1      ALA   4 -17.709  -3.637   1.556
   20    HB2  ALA   4           HB2      ALA   4 -18.696  -3.284   0.137
   21    HB3  ALA   4           HB3      ALA   4 -19.218  -2.742   1.732
   22    H    ALA   5           H        ALA   5 -17.464  -1.930  -1.639
   23    HA   ALA   5           HA       ALA   5 -14.840  -3.050  -1.901
   24    HB1  ALA   5           HB1      ALA   5 -15.231  -2.703  -4.258
   25    HB2  ALA   5           HB2      ALA   5 -16.366  -1.394  -3.935
   26    HB3  ALA   5           HB3      ALA   5 -16.801  -3.056  -3.537
   27    H    ARG   6           H        ARG   6 -16.018   0.320  -2.018
   28    HA   ARG   6           HA       ARG   6 -13.554   1.542  -2.828
   29    HB2  ARG   6           HB2      ARG   6 -15.984   2.420  -1.264
   30    HB3  ARG   6           HB3      ARG   6 -14.652   3.532  -1.573
   31    HG2  ARG   6           HG2      ARG   6 -15.048   3.597  -3.854
   32    HG3  ARG   6           HG3      ARG   6 -15.776   1.990  -3.879
   33    HD2  ARG   6           HD2      ARG   6 -17.863   2.812  -3.468
   34    HD3  ARG   6           HD3      ARG   6 -17.265   3.949  -2.242
   35    HE   ARG   6           HE       ARG   6 -16.711   5.515  -4.017
   36   HH11  ARG   6          HH11      ARG   6 -19.499   4.952  -4.803
   37   HH12  ARG   6          HH12      ARG   6 -19.357   4.508  -6.470
   38   HH21  ARG   6          HH21      ARG   6 -15.934   3.916  -6.288
   39   HH22  ARG   6          HH22      ARG   6 -17.327   3.925  -7.317
   40    H    VAL   7           H        VAL   7 -14.847   0.612   0.311
   41    HA   VAL   7           HA       VAL   7 -12.819   1.773   1.978
   42    HB   VAL   7           HB       VAL   7 -14.517  -0.734   2.305
   43   HG11  VAL   7          HG11      VAL   7 -14.197  -0.107   4.788
   44   HG12  VAL   7          HG12      VAL   7 -12.843   0.876   4.233
   45   HG13  VAL   7          HG13      VAL   7 -12.835  -0.867   3.967
   46   HG21  VAL   7          HG21      VAL   7 -15.599   1.229   3.897
   47   HG22  VAL   7          HG22      VAL   7 -16.182   0.821   2.284
   48   HG23  VAL   7          HG23      VAL   7 -15.059   2.163   2.502
   49    H    THR   8           H        THR   8 -13.083  -1.369   0.303
   50    HA   THR   8           HA       THR   8 -10.633  -2.498   1.321
   51    HB   THR   8           HB       THR   8 -12.080  -3.024  -1.293
   52    HG1  THR   8           HG1      THR   8 -13.601  -3.845  -0.123
   53   HG21  THR   8          HG21      THR   8 -11.148  -5.272  -1.080
   54   HG22  THR   8          HG22      THR   8 -10.394  -4.840   0.454
   55   HG23  THR   8          HG23      THR   8  -9.844  -4.087  -1.042
   56    H    ALA   9           H        ALA   9 -11.422  -0.502  -1.483
   57    HA   ALA   9           HA       ALA   9  -8.883  -0.667  -2.813
   58    HB1  ALA   9           HB1      ALA   9 -11.179   0.192  -3.624
   59    HB2  ALA   9           HB2      ALA   9  -9.762   1.104  -4.147
   60    HB3  ALA   9           HB3      ALA   9 -10.756   1.704  -2.820
   61    H    ILE  10           H        ILE  10 -10.148   1.551  -0.367
   62    HA   ILE  10           HA       ILE  10  -7.967   3.395  -0.275
   63    HB   ILE  10           HB       ILE  10  -9.941   2.376   1.797
   64   HG12  ILE  10          HG12      ILE  10  -9.873   5.097   0.497
   65   HG13  ILE  10          HG13      ILE  10 -10.613   3.729  -0.334
   66   HG21  ILE  10          HG21      ILE  10  -7.861   4.562   1.972
   67   HG22  ILE  10          HG22      ILE  10  -8.166   3.250   3.111
   68   HG23  ILE  10          HG23      ILE  10  -9.314   4.582   2.972
   69   HD11  ILE  10          HD11      ILE  10 -11.896   3.355   1.899
   70   HD12  ILE  10          HD12      ILE  10 -12.418   4.667   0.845
   71   HD13  ILE  10          HD13      ILE  10 -11.431   5.016   2.264
   72    H    LEU  11           H        LEU  11  -8.525   0.288   1.383
   73    HA   LEU  11           HA       LEU  11  -6.124   0.295   2.968
   74    HB2  LEU  11           HB2      LEU  11  -8.400  -1.248   2.696
   75    HB3  LEU  11           HB3      LEU  11  -7.153  -2.305   2.038
   76    HG   LEU  11           HG       LEU  11  -7.418  -2.666   4.462
   77   HD11  LEU  11          HD11      LEU  11  -4.816  -1.193   4.022
   78   HD12  LEU  11          HD12      LEU  11  -5.140  -2.755   3.273
   79   HD13  LEU  11          HD13      LEU  11  -5.111  -2.609   5.030
   80   HD21  LEU  11          HD21      LEU  11  -8.143  -0.233   4.852
   81   HD22  LEU  11          HD22      LEU  11  -6.424   0.164   4.851
   82   HD23  LEU  11          HD23      LEU  11  -7.074  -0.937   6.065
   83    H    SER  12           H        SER  12  -6.893  -0.911  -0.266
   84    HA   SER  12           HA       SER  12  -4.456  -2.276  -0.847
   85    HB2  SER  12           HB2      SER  12  -6.389  -0.723  -2.599
   86    HB3  SER  12           HB3      SER  12  -5.150  -1.810  -3.220
   87    HG   SER  12           HG       SER  12  -7.516  -2.360  -1.839
   88    H    SER  13           H        SER  13  -5.335   1.165  -1.112
   89    HA   SER  13           HA       SER  13  -3.010   2.107  -2.487
   90    HB2  SER  13           HB2      SER  13  -4.734   3.444  -0.369
   91    HB3  SER  13           HB3      SER  13  -3.696   4.279  -1.520
   92    HG   SER  13           HG       SER  13  -6.199   3.306  -1.840
   93    H    LEU  14           H        LEU  14  -3.699   1.746   1.009
   94    HA   LEU  14           HA       LEU  14  -1.199   2.760   1.986
   95    HB2  LEU  14           HB2      LEU  14  -3.606   1.633   2.971
   96    HB3  LEU  14           HB3      LEU  14  -2.304   0.630   3.612
   97    HG   LEU  14           HG       LEU  14  -2.291   3.657   3.757
   98   HD11  LEU  14          HD11      LEU  14  -2.966   3.387   6.108
   99   HD12  LEU  14          HD12      LEU  14  -3.098   1.643   5.880
  100   HD13  LEU  14          HD13      LEU  14  -4.200   2.731   5.035
  101   HD21  LEU  14          HD21      LEU  14  -0.086   2.603   3.925
  102   HD22  LEU  14          HD22      LEU  14  -0.689   1.480   5.144
  103   HD23  LEU  14          HD23      LEU  14  -0.571   3.200   5.512
  104    H    THR  15           H        THR  15  -2.258  -0.541   1.117
  105    HA   THR  15           HA       THR  15   0.055  -1.994   1.892
  106    HB   THR  15           HB       THR  15  -1.715  -2.410  -0.546
  107    HG1  THR  15           HG1      THR  15  -3.208  -2.538   0.923
  108   HG21  THR  15          HG21      THR  15   0.167  -3.923  -0.547
  109   HG22  THR  15          HG22      THR  15  -1.252  -4.829  -0.024
  110   HG23  THR  15          HG23      THR  15  -0.064  -4.288   1.162
  111    H    VAL  16           H        VAL  16  -0.653  -0.240  -1.142
  112    HA   VAL  16           HA       VAL  16   1.737  -0.946  -2.565
  113    HB   VAL  16           HB       VAL  16  -0.176   1.410  -2.644
  114   HG11  VAL  16          HG11      VAL  16   1.773   2.315  -3.636
  115   HG12  VAL  16          HG12      VAL  16   0.848   1.698  -5.004
  116   HG13  VAL  16          HG13      VAL  16   2.216   0.778  -4.377
  117   HG21  VAL  16          HG21      VAL  16   0.213  -1.016  -4.429
  118   HG22  VAL  16          HG22      VAL  16  -0.978   0.257  -4.688
  119   HG23  VAL  16          HG23      VAL  16  -1.098  -0.788  -3.272
  120    H    THR  17           H        THR  17   0.985   1.796  -0.381
  121    HA   THR  17           HA       THR  17   3.469   3.197  -0.643
  122    HB   THR  17           HB       THR  17   1.720   2.944   1.828
  123    HG1  THR  17           HG1      THR  17   1.387   4.480  -0.532
  124   HG21  THR  17          HG21      THR  17   3.230   5.340   0.768
  125   HG22  THR  17          HG22      THR  17   3.922   4.212   1.932
  126   HG23  THR  17          HG23      THR  17   2.489   5.148   2.357
  127    H    GLN  18           H        GLN  18   2.461   0.523   1.490
  128    HA   GLN  18           HA       GLN  18   4.811   0.407   3.122
  129    HB2  GLN  18           HB2      GLN  18   2.424  -1.180   2.515
  130    HB3  GLN  18           HB3      GLN  18   3.820  -2.192   2.884
  131    HG2  GLN  18           HG2      GLN  18   3.758  -1.642   5.073
  132    HG3  GLN  18           HG3      GLN  18   3.598   0.076   4.712
  133   HE21  GLN  18          HE21      GLN  18   1.451  -2.792   4.125
  134   HE22  GLN  18          HE22      GLN  18   0.076  -2.072   4.813
  135    H    LEU  19           H        LEU  19   4.001  -1.122   0.042
  136    HA   LEU  19           HA       LEU  19   6.294  -2.809  -0.223
  137    HB2  LEU  19           HB2      LEU  19   4.078  -2.568  -1.601
  138    HB3  LEU  19           HB3      LEU  19   4.973  -1.354  -2.517
  139    HG   LEU  19           HG       LEU  19   6.303  -3.987  -2.023
  140   HD11  LEU  19          HD11      LEU  19   4.312  -3.597  -4.269
  141   HD12  LEU  19          HD12      LEU  19   3.905  -4.432  -2.769
  142   HD13  LEU  19          HD13      LEU  19   5.164  -5.075  -3.823
  143   HD21  LEU  19          HD21      LEU  19   6.369  -1.741  -3.991
  144   HD22  LEU  19          HD22      LEU  19   6.782  -3.349  -4.586
  145   HD23  LEU  19          HD23      LEU  19   7.703  -2.636  -3.263
  146    H    LEU  20           H        LEU  20   5.733   0.592  -1.147
  147    HA   LEU  20           HA       LEU  20   8.290   1.056  -2.388
  148    HB2  LEU  20           HB2      LEU  20   5.960   2.588  -1.375
  149    HB3  LEU  20           HB3      LEU  20   7.476   3.489  -1.432
  150    HG   LEU  20           HG       LEU  20   7.639   2.361  -3.843
  151   HD11  LEU  20          HD11      LEU  20   5.410   2.216  -4.884
  152   HD12  LEU  20          HD12      LEU  20   4.654   2.559  -3.328
  153   HD13  LEU  20          HD13      LEU  20   5.554   1.060  -3.561
  154   HD21  LEU  20          HD21      LEU  20   6.517   4.409  -4.749
  155   HD22  LEU  20          HD22      LEU  20   7.651   4.769  -3.448
  156   HD23  LEU  20          HD23      LEU  20   5.916   4.757  -3.127
  157    H    ARG  21           H        ARG  21   7.116   1.434   0.973
  158    HA   ARG  21           HA       ARG  21   9.418   2.717   2.071
  159    HB2  ARG  21           HB2      ARG  21   6.980   1.413   2.927
  160    HB3  ARG  21           HB3      ARG  21   8.308   0.947   3.990
  161    HG2  ARG  21           HG2      ARG  21   7.698   3.818   3.233
  162    HG3  ARG  21           HG3      ARG  21   7.100   3.049   4.703
  163    HD2  ARG  21           HD2      ARG  21  10.048   2.944   4.095
  164    HD3  ARG  21           HD3      ARG  21   9.349   4.410   4.812
  165    HE   ARG  21           HE       ARG  21   8.787   3.151   6.772
  166   HH11  ARG  21          HH11      ARG  21  11.420   1.792   5.645
  167   HH12  ARG  21          HH12      ARG  21  11.044   0.138   5.994
  168   HH21  ARG  21          HH21      ARG  21   7.676   0.759   6.602
  169   HH22  ARG  21          HH22      ARG  21   8.915  -0.450   6.550
  170    H    ARG  22           H        ARG  22   8.628  -0.754   1.744
  171    HA   ARG  22           HA       ARG  22  11.052  -1.746   2.965
  172    HB2  ARG  22           HB2      ARG  22   8.765  -2.750   1.332
  173    HB3  ARG  22           HB3      ARG  22  10.211  -3.758   1.371
  174    HG2  ARG  22           HG2      ARG  22  10.091  -4.064   3.700
  175    HG3  ARG  22           HG3      ARG  22   9.058  -2.652   3.924
  176    HD2  ARG  22           HD2      ARG  22   7.661  -4.395   2.162
  177    HD3  ARG  22           HD3      ARG  22   8.258  -5.387   3.506
  178    HE   ARG  22           HE       ARG  22   6.687  -2.863   3.908
  179   HH11  ARG  22          HH21      ARG  22   5.621  -5.806   4.055
  180   HH12  ARG  22          HH22      ARG  22   5.521  -5.994   5.773
  181   HH21  ARG  22          HH11      ARG  22   7.467  -3.200   6.461
  182   HH22  ARG  22          HH12      ARG  22   6.572  -4.517   7.138
  183    H    LEU  23           H        LEU  23  10.089  -1.150  -0.424
  184    HA   LEU  23           HA       LEU  23  12.358  -2.183  -1.764
  185    HB2  LEU  23           HB2      LEU  23  10.146  -1.277  -2.668
  186    HB3  LEU  23           HB3      LEU  23  10.837   0.335  -2.489
  187    HG   LEU  23           HG       LEU  23  12.862  -0.857  -3.817
  188   HD11  LEU  23          HD11      LEU  23  11.900  -2.306  -5.578
  189   HD12  LEU  23          HD12      LEU  23  10.330  -2.223  -4.781
  190   HD13  LEU  23          HD13      LEU  23  11.686  -3.014  -3.978
  191   HD21  LEU  23          HD21      LEU  23  11.262   1.181  -4.341
  192   HD22  LEU  23          HD22      LEU  23  10.496   0.034  -5.440
  193   HD23  LEU  23          HD23      LEU  23  12.201   0.440  -5.637
  194    H    HIS  24           H        HIS  24  11.915   0.960  -0.144
  195    HA   HIS  24           HA       HIS  24  14.209   2.341  -1.082
  196    HB2  HIS  24           HB2      HIS  24  12.607   2.301   1.475
  197    HB3  HIS  24           HB3      HIS  24  14.015   3.351   1.333
  198    HD1  HIS  24           HD1      HIS  24  12.034   5.252   1.544
  199    HD2  HIS  24           HD2      HIS  24  12.223   3.128  -2.040
  200    HE1  HIS  24           HE1      HIS  24  10.722   6.594  -0.156
  201    H    GLN  25           H        GLN  25  13.882  -0.028   1.565
  202    HA   GLN  25           HA       GLN  25  16.608   0.157   2.510
  203    HB2  GLN  25           HB2      GLN  25  14.444  -0.799   3.593
  204    HB3  GLN  25           HB3      GLN  25  14.808  -2.265   2.685
  205    HG2  GLN  25           HG2      GLN  25  16.203  -2.859   4.352
  206    HG3  GLN  25           HG3      GLN  25  17.245  -1.519   3.874
  207   HE21  GLN  25          HE21      GLN  25  17.796  -0.413   5.772
  208   HE22  GLN  25          HE22      GLN  25  16.695   0.026   6.988
  209    H    TRP  26           H        TRP  26  14.967  -1.919   0.114
  210    HA   TRP  26           HA       TRP  26  17.149  -3.726  -0.372
  211    HB2  TRP  26           HB2      TRP  26  14.504  -3.218  -1.285
  212    HB3  TRP  26           HB3      TRP  26  15.534  -3.230  -2.715
  213    HD1  TRP  26           HD1      TRP  26  14.909  -5.406   0.424
  214    HE1  TRP  26           HE1      TRP  26  15.250  -7.877  -0.231
  215    HE3  TRP  26           HE3      TRP  26  16.368  -4.837  -4.439
  216    HZ2  TRP  26           HZ2      TRP  26  16.037  -9.408  -2.515
  217    HZ3  TRP  26           HZ3      TRP  26  16.906  -6.817  -5.828
  218    HH2  TRP  26           HH2      TRP  26  16.742  -9.100  -4.874
  219    H    ILE  27           H        ILE  27  16.370  -0.512  -1.660
  220    HA   ILE  27           HA       ILE  27  18.372  -0.589  -3.785
  221    HB   ILE  27           HB       ILE  27  16.775   1.622  -2.446
  222   HG12  ILE  27          HG12      ILE  27  16.388   0.515  -5.225
  223   HG13  ILE  27          HG13      ILE  27  15.670  -0.298  -3.833
  224   HG21  ILE  27          HG21      ILE  27  18.599   2.758  -3.428
  225   HG22  ILE  27          HG22      ILE  27  17.355   2.813  -4.677
  226   HG23  ILE  27          HG23      ILE  27  18.672   1.645  -4.794
  227   HD11  ILE  27          HD11      ILE  27  13.992   1.204  -4.579
  228   HD12  ILE  27          HD12      ILE  27  15.154   2.507  -4.826
  229   HD13  ILE  27          HD13      ILE  27  14.725   2.007  -3.190
  230    H    SER  28           H        SER  28  18.255   0.606  -0.434
  231    HA   SER  28           HA       SER  28  20.840   1.956  -0.562
  232    HB2  SER  28           HB2      SER  28  18.925   1.114   1.622
  233    HB3  SER  28           HB3      SER  28  20.445   1.927   1.981
  234    HG   SER  28           HG       SER  28  18.486   3.273   1.653
  Start of MODEL   21
    1    H1   SER   1           H1       SER   1 -24.805   0.139  -2.433
    2    H2   SER   1           H2       SER   1 -24.353   1.444  -3.424
    3    H3   SER   1           H3       SER   1 -23.754   1.330  -1.837
    4    HA   SER   1           HA       SER   1 -22.545  -0.710  -2.434
    5    HB2  SER   1           HB2      SER   1 -23.666  -0.009  -5.170
    6    HB3  SER   1           HB3      SER   1 -22.573  -1.346  -4.824
    7    HG   SER   1           HG       SER   1 -24.616  -2.178  -4.774
    8    H    ASP   2           H        ASP   2 -21.133   1.076  -1.629
    9    HA   ASP   2           HA       ASP   2 -19.257   1.982  -3.683
   10    HB2  ASP   2           HB2      ASP   2 -21.014   3.624  -3.997
   11    HB3  ASP   2           HB3      ASP   2 -21.123   3.907  -2.260
   12    H    ALA   3           H        ALA   3 -20.382   2.786  -0.361
   13    HA   ALA   3           HA       ALA   3 -17.918   3.589   0.757
   14    HB1  ALA   3           HB1      ALA   3 -19.014   3.095   2.879
   15    HB2  ALA   3           HB2      ALA   3 -20.138   1.997   2.078
   16    HB3  ALA   3           HB3      ALA   3 -20.217   3.729   1.755
   17    H    ALA   4           H        ALA   4 -19.273   0.284   0.508
   18    HA   ALA   4           HA       ALA   4 -17.222  -1.084   1.960
   19    HB1  ALA   4           HB1      ALA   4 -19.369  -2.086   1.399
   20    HB2  ALA   4           HB2      ALA   4 -18.097  -3.047   0.645
   21    HB3  ALA   4           HB3      ALA   4 -19.038  -1.916  -0.325
   22    H    ALA   5           H        ALA   5 -17.527  -0.328  -1.528
   23    HA   ALA   5           HA       ALA   5 -15.124  -1.664  -2.370
   24    HB1  ALA   5           HB1      ALA   5 -15.431  -0.243  -4.383
   25    HB2  ALA   5           HB2      ALA   5 -16.589   0.750  -3.497
   26    HB3  ALA   5           HB3      ALA   5 -16.966  -0.935  -3.858
   27    H    ARG   6           H        ARG   6 -15.751   1.648  -1.193
   28    HA   ARG   6           HA       ARG   6 -13.142   2.710  -1.713
   29    HB2  ARG   6           HB2      ARG   6 -15.434   3.779  -0.951
   30    HB3  ARG   6           HB3      ARG   6 -14.797   3.494   0.669
   31    HG2  ARG   6           HG2      ARG   6 -12.763   4.766   0.106
   32    HG3  ARG   6           HG3      ARG   6 -13.383   5.044  -1.523
   33    HD2  ARG   6           HD2      ARG   6 -14.125   7.003  -0.533
   34    HD3  ARG   6           HD3      ARG   6 -15.494   5.961  -0.093
   35    HE   ARG   6           HE       ARG   6 -13.242   6.696   1.712
   36   HH11  ARG   6          HH21      ARG   6 -16.027   7.373   2.456
   37   HH12  ARG   6          HH22      ARG   6 -16.468   6.078   3.518
   38   HH21  ARG   6          HH11      ARG   6 -13.870   4.006   2.491
   39   HH22  ARG   6          HH12      ARG   6 -15.245   4.162   3.534
   40    H    VAL   7           H        VAL   7 -14.471   0.833   0.950
   41    HA   VAL   7           HA       VAL   7 -12.267   1.042   2.781
   42    HB   VAL   7           HB       VAL   7 -14.332  -1.129   2.248
   43   HG11  VAL   7          HG11      VAL   7 -12.433  -2.096   3.451
   44   HG12  VAL   7          HG12      VAL   7 -13.796  -1.909   4.553
   45   HG13  VAL   7          HG13      VAL   7 -12.456  -0.763   4.606
   46   HG21  VAL   7          HG21      VAL   7 -14.640   1.440   3.250
   47   HG22  VAL   7          HG22      VAL   7 -14.501   0.460   4.709
   48   HG23  VAL   7          HG23      VAL   7 -15.752   0.098   3.521
   49    H    THR   8           H        THR   8 -12.984  -1.169   0.070
   50    HA   THR   8           HA       THR   8 -10.680  -2.867   0.403
   51    HB   THR   8           HB       THR   8 -12.184  -2.203  -2.141
   52    HG1  THR   8           HG1      THR   8 -12.854  -3.958  -0.014
   53   HG21  THR   8          HG21      THR   8 -10.831  -4.738  -1.175
   54   HG22  THR   8          HG22      THR   8 -10.185  -3.631  -2.387
   55   HG23  THR   8          HG23      THR   8 -11.662  -4.536  -2.718
   56    H    ALA   9           H        ALA   9 -11.272   0.113  -1.394
   57    HA   ALA   9           HA       ALA   9  -8.790   0.175  -2.844
   58    HB1  ALA   9           HB1      ALA   9 -10.447   1.595  -3.674
   59    HB2  ALA   9           HB2      ALA   9  -9.458   2.741  -2.770
   60    HB3  ALA   9           HB3      ALA   9 -10.943   2.109  -2.062
   61    H    ILE  10           H        ILE  10  -9.767   1.496   0.288
   62    HA   ILE  10           HA       ILE  10  -7.382   2.941   0.915
   63    HB   ILE  10           HB       ILE  10  -9.483   1.489   2.556
   64   HG12  ILE  10          HG12      ILE  10  -8.967   4.458   2.370
   65   HG13  ILE  10          HG13      ILE  10  -9.927   3.628   1.146
   66   HG21  ILE  10          HG21      ILE  10  -8.544   2.964   4.456
   67   HG22  ILE  10          HG22      ILE  10  -7.089   3.093   3.467
   68   HG23  ILE  10          HG23      ILE  10  -7.631   1.514   4.037
   69   HD11  ILE  10          HD11      ILE  10 -10.520   4.021   4.067
   70   HD12  ILE  10          HD12      ILE  10 -11.215   2.645   3.210
   71   HD13  ILE  10          HD13      ILE  10 -11.569   4.287   2.674
   72    H    LEU  11           H        LEU  11  -8.293  -0.469   1.430
   73    HA   LEU  11           HA       LEU  11  -5.856  -1.281   2.741
   74    HB2  LEU  11           HB2      LEU  11  -8.243  -2.370   2.499
   75    HB3  LEU  11           HB3      LEU  11  -7.565  -3.070   1.029
   76    HG   LEU  11           HG       LEU  11  -6.068  -3.269   3.637
   77   HD11  LEU  11          HD11      LEU  11  -7.176  -5.571   3.814
   78   HD12  LEU  11          HD12      LEU  11  -8.378  -4.969   2.673
   79   HD13  LEU  11          HD13      LEU  11  -8.185  -4.189   4.243
   80   HD21  LEU  11          HD21      LEU  11  -5.969  -4.443   0.915
   81   HD22  LEU  11          HD22      LEU  11  -5.690  -5.579   2.234
   82   HD23  LEU  11          HD23      LEU  11  -4.663  -4.156   2.065
   83    H    SER  12           H        SER  12  -6.954  -1.300  -0.620
   84    HA   SER  12           HA       SER  12  -4.696  -2.621  -1.792
   85    HB2  SER  12           HB2      SER  12  -6.774  -0.653  -2.772
   86    HB3  SER  12           HB3      SER  12  -5.567  -1.344  -3.851
   87    HG   SER  12           HG       SER  12  -7.684  -2.577  -2.475
   88    H    SER  13           H        SER  13  -5.381   0.837  -1.182
   89    HA   SER  13           HA       SER  13  -2.978   1.844  -2.431
   90    HB2  SER  13           HB2      SER  13  -3.718   3.907  -1.557
   91    HB3  SER  13           HB3      SER  13  -5.213   2.990  -1.705
   92    HG   SER  13           HG       SER  13  -5.055   2.496   0.503
   93    H    LEU  14           H        LEU  14  -3.734   0.690   0.841
   94    HA   LEU  14           HA       LEU  14  -1.365   1.616   2.169
   95    HB2  LEU  14           HB2      LEU  14  -3.688   0.008   2.673
   96    HB3  LEU  14           HB3      LEU  14  -2.274  -0.883   3.234
   97    HG   LEU  14           HG       LEU  14  -1.896   1.821   4.015
   98   HD11  LEU  14          HD11      LEU  14  -4.694   0.774   4.440
   99   HD12  LEU  14          HD12      LEU  14  -4.193   2.364   3.868
  100   HD13  LEU  14          HD13      LEU  14  -3.968   1.925   5.561
  101   HD21  LEU  14          HD21      LEU  14  -2.058   0.810   6.294
  102   HD22  LEU  14          HD22      LEU  14  -1.043  -0.137   5.206
  103   HD23  LEU  14          HD23      LEU  14  -2.687  -0.668   5.564
  104    H    THR  15           H        THR  15  -2.122  -1.557   0.659
  105    HA   THR  15           HA       THR  15   0.397  -2.802   1.137
  106    HB   THR  15           HB       THR  15  -0.297  -4.306  -0.698
  107    HG1  THR  15           HG1      THR  15  -2.362  -2.411  -1.142
  108   HG21  THR  15          HG21      THR  15  -1.850  -3.628   1.609
  109   HG22  THR  15          HG22      THR  15  -1.691  -5.195   0.816
  110   HG23  THR  15          HG23      THR  15  -2.951  -4.074   0.304
  111    H    VAL  16           H        VAL  16  -0.684  -0.703  -1.541
  112    HA   VAL  16           HA       VAL  16   1.645  -0.941  -3.194
  113    HB   VAL  16           HB       VAL  16  -0.332   1.326  -2.731
  114   HG11  VAL  16          HG11      VAL  16   1.787   0.902  -4.847
  115   HG12  VAL  16          HG12      VAL  16   1.543   2.317  -3.823
  116   HG13  VAL  16          HG13      VAL  16   0.394   1.951  -5.111
  117   HG21  VAL  16          HG21      VAL  16  -0.810  -1.178  -3.732
  118   HG22  VAL  16          HG22      VAL  16  -0.395  -0.299  -5.203
  119   HG23  VAL  16          HG23      VAL  16  -1.726   0.258  -4.189
  120    H    THR  17           H        THR  17   0.848   1.281  -0.502
  121    HA   THR  17           HA       THR  17   3.253   2.858  -0.617
  122    HB   THR  17           HB       THR  17   1.462   2.148   1.737
  123    HG1  THR  17           HG1      THR  17   0.044   3.337   0.784
  124   HG21  THR  17          HG21      THR  17   3.011   4.701   1.304
  125   HG22  THR  17          HG22      THR  17   3.721   3.320   2.139
  126   HG23  THR  17          HG23      THR  17   2.282   4.101   2.793
  127    H    GLN  18           H        GLN  18   2.392  -0.128   1.142
  128    HA   GLN  18           HA       GLN  18   4.745  -0.386   2.726
  129    HB2  GLN  18           HB2      GLN  18   2.630  -2.192   1.605
  130    HB3  GLN  18           HB3      GLN  18   4.027  -2.921   2.396
  131    HG2  GLN  18           HG2      GLN  18   3.509  -1.982   4.473
  132    HG3  GLN  18           HG3      GLN  18   2.562  -0.677   3.757
  133   HE21  GLN  18          HE21      GLN  18   2.423  -3.991   4.910
  134   HE22  GLN  18          HE22      GLN  18   0.759  -4.209   4.656
  135    H    LEU  19           H        LEU  19   4.017  -1.590  -0.522
  136    HA   LEU  19           HA       LEU  19   6.432  -3.016  -1.021
  137    HB2  LEU  19           HB2      LEU  19   4.166  -1.888  -2.497
  138    HB3  LEU  19           HB3      LEU  19   5.655  -1.841  -3.439
  139    HG   LEU  19           HG       LEU  19   5.918  -4.321  -2.536
  140   HD11  LEU  19          HD11      LEU  19   3.879  -4.145  -1.104
  141   HD12  LEU  19          HD12      LEU  19   3.764  -5.446  -2.289
  142   HD13  LEU  19          HD13      LEU  19   2.908  -3.927  -2.561
  143   HD21  LEU  19          HD21      LEU  19   4.686  -5.096  -4.579
  144   HD22  LEU  19          HD22      LEU  19   5.775  -3.747  -4.901
  145   HD23  LEU  19          HD23      LEU  19   4.040  -3.466  -4.763
  146    H    LEU  20           H        LEU  20   5.615   0.425  -1.487
  147    HA   LEU  20           HA       LEU  20   8.127   1.237  -2.638
  148    HB2  LEU  20           HB2      LEU  20   5.740   2.364  -2.403
  149    HB3  LEU  20           HB3      LEU  20   6.422   3.016  -0.914
  150    HG   LEU  20           HG       LEU  20   7.997   3.216  -3.465
  151   HD11  LEU  20          HD11      LEU  20   5.795   5.114  -2.595
  152   HD12  LEU  20          HD12      LEU  20   5.752   4.074  -4.019
  153   HD13  LEU  20          HD13      LEU  20   6.921   5.391  -3.922
  154   HD21  LEU  20          HD21      LEU  20   7.986   4.373  -0.745
  155   HD22  LEU  20          HD22      LEU  20   8.278   5.541  -2.035
  156   HD23  LEU  20          HD23      LEU  20   9.330   4.136  -1.862
  157    H    ARG  21           H        ARG  21   6.927   1.063   0.730
  158    HA   ARG  21           HA       ARG  21   9.136   2.350   2.019
  159    HB2  ARG  21           HB2      ARG  21   7.248   0.137   2.896
  160    HB3  ARG  21           HB3      ARG  21   8.291   1.038   3.994
  161    HG2  ARG  21           HG2      ARG  21   6.773   2.830   2.272
  162    HG3  ARG  21           HG3      ARG  21   5.708   1.762   3.186
  163    HD2  ARG  21           HD2      ARG  21   7.370   2.430   5.184
  164    HD3  ARG  21           HD3      ARG  21   7.565   3.881   4.181
  165    HE   ARG  21           HE       ARG  21   4.844   2.867   4.919
  166   HH11  ARG  21          HH21      ARG  21   5.985   4.716   6.932
  167   HH12  ARG  21          HH22      ARG  21   5.461   6.267   6.371
  168   HH21  ARG  21          HH11      ARG  21   4.690   5.141   3.174
  169   HH22  ARG  21          HH12      ARG  21   4.722   6.508   4.235
  170    H    ARG  22           H        ARG  22   8.576  -1.084   1.183
  171    HA   ARG  22           HA       ARG  22  10.966  -2.149   2.356
  172    HB2  ARG  22           HB2      ARG  22   8.762  -2.967   0.664
  173    HB3  ARG  22           HB3      ARG  22  10.271  -3.634   0.040
  174    HG2  ARG  22           HG2      ARG  22  10.795  -4.441   2.367
  175    HG3  ARG  22           HG3      ARG  22   9.178  -3.928   2.851
  176    HD2  ARG  22           HD2      ARG  22   8.190  -5.440   1.144
  177    HD3  ARG  22           HD3      ARG  22   9.822  -5.984   0.703
  178    HE   ARG  22           HE       ARG  22   8.617  -6.366   3.421
  179   HH11  ARG  22          HH11      ARG  22   8.861  -8.661   1.467
  180   HH12  ARG  22          HH12      ARG  22  10.332  -9.414   1.989
  181   HH21  ARG  22          HH21      ARG  22  11.368  -6.683   3.874
  182   HH22  ARG  22          HH22      ARG  22  11.753  -8.291   3.360
  183    H    LEU  23           H        LEU  23  10.277  -0.890  -0.919
  184    HA   LEU  23           HA       LEU  23  12.822  -1.468  -2.101
  185    HB2  LEU  23           HB2      LEU  23  10.498  -0.625  -3.033
  186    HB3  LEU  23           HB3      LEU  23  11.194   0.974  -2.768
  187    HG   LEU  23           HG       LEU  23  12.949  -0.989  -4.142
  188   HD11  LEU  23          HD11      LEU  23  11.851  -0.757  -6.286
  189   HD12  LEU  23          HD12      LEU  23  10.634   0.318  -5.598
  190   HD13  LEU  23          HD13      LEU  23  10.668  -1.383  -5.136
  191   HD21  LEU  23          HD21      LEU  23  12.263   1.791  -5.058
  192   HD22  LEU  23          HD22      LEU  23  13.801   0.934  -5.159
  193   HD23  LEU  23          HD23      LEU  23  13.251   1.578  -3.612
  194    H    HIS  24           H        HIS  24  11.647   1.328  -0.224
  195    HA   HIS  24           HA       HIS  24  13.951   3.013  -0.575
  196    HB2  HIS  24           HB2      HIS  24  11.518   3.404   0.365
  197    HB3  HIS  24           HB3      HIS  24  12.250   2.968   1.909
  198    HD1  HIS  24           HD1      HIS  24  13.026   4.979   3.150
  199    HD2  HIS  24           HD2      HIS  24  13.405   5.496  -0.970
  200    HE1  HIS  24           HE1      HIS  24  14.003   7.289   2.804
  201    H    GLN  25           H        GLN  25  13.128   0.549   1.881
  202    HA   GLN  25           HA       GLN  25  15.442   1.019   3.554
  203    HB2  GLN  25           HB2      GLN  25  13.089  -0.437   3.651
  204    HB3  GLN  25           HB3      GLN  25  14.311  -1.700   3.500
  205    HG2  GLN  25           HG2      GLN  25  15.174   0.340   5.376
  206    HG3  GLN  25           HG3      GLN  25  13.606  -0.319   5.845
  207   HE21  GLN  25          HE21      GLN  25  16.820  -1.520   4.683
  208   HE22  GLN  25          HE22      GLN  25  16.816  -2.899   5.672
  209    H    TRP  26           H        TRP  26  14.806  -1.102   0.775
  210    HA   TRP  26           HA       TRP  26  17.254  -2.637   0.970
  211    HB2  TRP  26           HB2      TRP  26  14.902  -2.397  -0.699
  212    HB3  TRP  26           HB3      TRP  26  16.340  -2.532  -1.710
  213    HD1  TRP  26           HD1      TRP  26  13.971  -4.585   0.211
  214    HE1  TRP  26           HE1      TRP  26  14.860  -6.991   0.485
  215    HE3  TRP  26           HE3      TRP  26  18.814  -3.910  -1.261
  216    HZ2  TRP  26           HZ2      TRP  26  17.303  -8.437   0.125
  217    HZ3  TRP  26           HZ3      TRP  26  20.399  -5.815  -1.285
  218    HH2  TRP  26           HH2      TRP  26  19.650  -8.076  -0.595
  219    H    ILE  27           H        ILE  27  16.438   0.477  -0.500
  220    HA   ILE  27           HA       ILE  27  18.799   0.638  -2.187
  221    HB   ILE  27           HB       ILE  27  16.420   1.895  -2.098
  222   HG12  ILE  27          HG12      ILE  27  18.179   3.835  -3.195
  223   HG13  ILE  27          HG13      ILE  27  18.935   2.262  -3.449
  224   HG21  ILE  27          HG21      ILE  27  16.510   4.083  -1.199
  225   HG22  ILE  27          HG22      ILE  27  18.260   4.016  -0.987
  226   HG23  ILE  27          HG23      ILE  27  17.208   3.068   0.061
  227   HD11  ILE  27          HD11      ILE  27  16.041   2.848  -4.124
  228   HD12  ILE  27          HD12      ILE  27  16.969   1.412  -4.557
  229   HD13  ILE  27          HD13      ILE  27  17.357   2.968  -5.292
  230    H    SER  28           H        SER  28  18.085   1.518   1.164
  231    HA   SER  28           HA       SER  28  19.480   2.292   2.897
  232    HB2  SER  28           HB2      SER  28  20.710   0.273   1.634
  233    HB3  SER  28           HB3      SER  28  21.871   1.545   1.260
  234    HG   SER  28           HG       SER  28  22.204   1.867   3.408
  Start of MODEL   22
    1    H1   SER   1           H1       SER   1 -23.902   0.030  -0.836
    2    H2   SER   1           H2       SER   1 -24.063  -1.627  -0.495
    3    H3   SER   1           H3       SER   1 -22.959  -1.103  -1.676
    4    HA   SER   1           HA       SER   1 -22.767  -0.492   1.236
    5    HB2  SER   1           HB2      SER   1 -21.245  -2.409  -0.561
    6    HB3  SER   1           HB3      SER   1 -20.956  -2.163   1.158
    7    HG   SER   1           HG       SER   1 -22.310  -3.855   1.119
    8    H    ASP   2           H        ASP   2 -21.750   1.469   1.383
    9    HA   ASP   2           HA       ASP   2 -19.810   2.251  -0.758
   10    HB2  ASP   2           HB2      ASP   2 -20.321   4.526  -0.074
   11    HB3  ASP   2           HB3      ASP   2 -21.842   3.658  -0.268
   12    H    ALA   3           H        ALA   3 -20.170   1.973   2.786
   13    HA   ALA   3           HA       ALA   3 -17.587   3.038   3.481
   14    HB1  ALA   3           HB1      ALA   3 -19.394   2.847   5.085
   15    HB2  ALA   3           HB2      ALA   3 -18.086   1.798   5.630
   16    HB3  ALA   3           HB3      ALA   3 -19.496   1.105   4.831
   17    H    ALA   4           H        ALA   4 -18.717  -0.356   3.136
   18    HA   ALA   4           HA       ALA   4 -16.212  -1.628   3.637
   19    HB1  ALA   4           HB1      ALA   4 -18.492  -2.484   1.821
   20    HB2  ALA   4           HB2      ALA   4 -18.481  -2.681   3.574
   21    HB3  ALA   4           HB3      ALA   4 -17.311  -3.550   2.583
   22    H    ALA   5           H        ALA   5 -17.659  -0.423   0.600
   23    HA   ALA   5           HA       ALA   5 -15.673  -1.430  -1.201
   24    HB1  ALA   5           HB1      ALA   5 -17.751  -0.629  -2.058
   25    HB2  ALA   5           HB2      ALA   5 -16.564   0.563  -2.590
   26    HB3  ALA   5           HB3      ALA   5 -17.598   0.907  -1.203
   27    H    ARG   6           H        ARG   6 -15.882   1.677   0.578
   28    HA   ARG   6           HA       ARG   6 -13.520   2.857  -0.526
   29    HB2  ARG   6           HB2      ARG   6 -15.510   3.452   1.387
   30    HB3  ARG   6           HB3      ARG   6 -13.981   3.537   2.260
   31    HG2  ARG   6           HG2      ARG   6 -13.443   5.481   1.259
   32    HG3  ARG   6           HG3      ARG   6 -13.721   4.789  -0.339
   33    HD2  ARG   6           HD2      ARG   6 -16.301   5.091   0.592
   34    HD3  ARG   6           HD3      ARG   6 -15.485   6.511   1.278
   35    HE   ARG   6           HE       ARG   6 -15.555   5.831  -1.634
   36   HH11  ARG   6          HH11      ARG   6 -16.968   8.255  -0.610
   37   HH12  ARG   6          HH12      ARG   6 -15.813   9.511  -0.904
   38   HH21  ARG   6          HH21      ARG   6 -13.149   7.317  -1.332
   39   HH22  ARG   6          HH22      ARG   6 -13.641   8.978  -1.315
   40    H    VAL   7           H        VAL   7 -14.031   0.630   2.147
   41    HA   VAL   7           HA       VAL   7 -11.377   0.661   3.247
   42    HB   VAL   7           HB       VAL   7 -13.504  -1.512   3.095
   43   HG11  VAL   7          HG11      VAL   7 -11.318  -2.477   3.648
   44   HG12  VAL   7          HG12      VAL   7 -12.344  -2.459   5.082
   45   HG13  VAL   7          HG13      VAL   7 -11.072  -1.252   4.892
   46   HG21  VAL   7          HG21      VAL   7 -14.542  -0.475   4.828
   47   HG22  VAL   7          HG22      VAL   7 -13.606   0.945   4.361
   48   HG23  VAL   7          HG23      VAL   7 -13.016  -0.119   5.638
   49    H    THR   8           H        THR   8 -12.897  -1.204   0.603
   50    HA   THR   8           HA       THR   8 -10.652  -2.914   0.045
   51    HB   THR   8           HB       THR   8 -12.784  -1.879  -1.846
   52    HG1  THR   8           HG1      THR   8 -12.845  -3.966   0.072
   53   HG21  THR   8          HG21      THR   8 -12.505  -4.143  -2.865
   54   HG22  THR   8          HG22      THR   8 -11.165  -4.438  -1.757
   55   HG23  THR   8          HG23      THR   8 -11.046  -3.158  -2.965
   56    H    ALA   9           H        ALA   9 -11.596   0.292  -1.105
   57    HA   ALA   9           HA       ALA   9  -9.569   0.562  -3.133
   58    HB1  ALA   9           HB1      ALA   9 -10.311   2.830  -3.198
   59    HB2  ALA   9           HB2      ALA   9 -10.806   2.789  -1.506
   60    HB3  ALA   9           HB3      ALA   9 -11.732   1.903  -2.719
   61    H    ILE  10           H        ILE  10  -9.680   1.467   0.286
   62    HA   ILE  10           HA       ILE  10  -7.160   2.807   0.456
   63    HB   ILE  10           HB       ILE  10  -8.845   1.194   2.394
   64   HG12  ILE  10          HG12      ILE  10  -9.726   3.372   1.531
   65   HG13  ILE  10          HG13      ILE  10  -9.443   3.394   3.270
   66   HG21  ILE  10          HG21      ILE  10  -6.718   1.009   3.392
   67   HG22  ILE  10          HG22      ILE  10  -7.393   2.453   4.144
   68   HG23  ILE  10          HG23      ILE  10  -6.218   2.607   2.838
   69   HD11  ILE  10          HD11      ILE  10  -8.597   5.451   2.148
   70   HD12  ILE  10          HD12      ILE  10  -7.502   4.454   1.192
   71   HD13  ILE  10          HD13      ILE  10  -7.309   4.545   2.942
   72    H    LEU  11           H        LEU  11  -8.041  -0.634   0.692
   73    HA   LEU  11           HA       LEU  11  -5.449  -1.646   1.380
   74    HB2  LEU  11           HB2      LEU  11  -7.628  -2.845   1.572
   75    HB3  LEU  11           HB3      LEU  11  -7.717  -2.912  -0.188
   76    HG   LEU  11           HG       LEU  11  -5.523  -4.146  -0.183
   77   HD11  LEU  11          HD11      LEU  11  -6.031  -4.065   2.802
   78   HD12  LEU  11          HD12      LEU  11  -4.605  -3.488   1.939
   79   HD13  LEU  11          HD13      LEU  11  -4.933  -5.217   2.044
   80   HD21  LEU  11          HD21      LEU  11  -7.862  -5.338   1.338
   81   HD22  LEU  11          HD22      LEU  11  -6.523  -6.285   0.690
   82   HD23  LEU  11          HD23      LEU  11  -7.588  -5.403  -0.404
   83    H    SER  12           H        SER  12  -7.025  -0.983  -1.719
   84    HA   SER  12           HA       SER  12  -5.085  -2.131  -3.470
   85    HB2  SER  12           HB2      SER  12  -7.472  -1.050  -3.812
   86    HB3  SER  12           HB3      SER  12  -6.546   0.420  -4.101
   87    HG   SER  12           HG       SER  12  -6.987  -1.610  -5.752
   88    H    SER  13           H        SER  13  -5.327   1.203  -2.157
   89    HA   SER  13           HA       SER  13  -2.846   2.082  -3.417
   90    HB2  SER  13           HB2      SER  13  -3.229   4.045  -1.855
   91    HB3  SER  13           HB3      SER  13  -4.594   3.670  -2.902
   92    HG   SER  13           HG       SER  13  -5.726   3.222  -1.191
   93    H    LEU  14           H        LEU  14  -3.746   0.727  -0.263
   94    HA   LEU  14           HA       LEU  14  -1.386   1.297   1.218
   95    HB2  LEU  14           HB2      LEU  14  -3.681  -0.547   1.299
   96    HB3  LEU  14           HB3      LEU  14  -2.242  -1.184   2.094
   97    HG   LEU  14           HG       LEU  14  -3.280   1.608   2.625
   98   HD11  LEU  14          HD11      LEU  14  -4.859  -0.440   3.161
   99   HD12  LEU  14          HD12      LEU  14  -4.625   0.832   4.359
  100   HD13  LEU  14          HD13      LEU  14  -3.742  -0.687   4.503
  101   HD21  LEU  14          HD21      LEU  14  -1.904   1.400   4.644
  102   HD22  LEU  14          HD22      LEU  14  -0.916   1.072   3.222
  103   HD23  LEU  14          HD23      LEU  14  -1.494  -0.262   4.220
  104    H    THR  15           H        THR  15  -2.109  -1.467  -0.955
  105    HA   THR  15           HA       THR  15   0.287  -2.953  -0.483
  106    HB   THR  15           HB       THR  15  -0.251  -3.975  -2.682
  107    HG1  THR  15           HG1      THR  15  -2.329  -2.068  -2.888
  108   HG21  THR  15          HG21      THR  15  -1.758  -5.107  -1.462
  109   HG22  THR  15          HG22      THR  15  -2.969  -3.916  -1.936
  110   HG23  THR  15          HG23      THR  15  -2.055  -3.700  -0.442
  111    H    VAL  16           H        VAL  16  -0.422  -0.337  -2.808
  112    HA   VAL  16           HA       VAL  16   2.100  -0.355  -4.178
  113    HB   VAL  16           HB       VAL  16   0.124   1.886  -3.596
  114   HG11  VAL  16          HG11      VAL  16   2.415   1.624  -5.550
  115   HG12  VAL  16          HG12      VAL  16   2.114   2.919  -4.391
  116   HG13  VAL  16          HG13      VAL  16   1.088   2.754  -5.816
  117   HG21  VAL  16          HG21      VAL  16   0.253  -0.336  -5.605
  118   HG22  VAL  16          HG22      VAL  16  -0.416   1.215  -6.112
  119   HG23  VAL  16          HG23      VAL  16  -1.147   0.336  -4.770
  120    H    THR  17           H        THR  17   0.954   1.406  -1.284
  121    HA   THR  17           HA       THR  17   3.318   2.966  -0.827
  122    HB   THR  17           HB       THR  17   1.339   1.829   1.182
  123    HG1  THR  17           HG1      THR  17  -0.061   3.077   0.273
  124   HG21  THR  17          HG21      THR  17   2.875   2.894   2.520
  125   HG22  THR  17          HG22      THR  17   1.902   4.294   2.070
  126   HG23  THR  17          HG23      THR  17   3.415   3.966   1.227
  127    H    GLN  18           H        GLN  18   2.352  -0.301   0.259
  128    HA   GLN  18           HA       GLN  18   4.542  -0.809   2.012
  129    HB2  GLN  18           HB2      GLN  18   2.324  -2.192   0.817
  130    HB3  GLN  18           HB3      GLN  18   3.761  -3.205   0.680
  131    HG2  GLN  18           HG2      GLN  18   3.996  -3.428   2.962
  132    HG3  GLN  18           HG3      GLN  18   3.285  -1.849   3.296
  133   HE21  GLN  18          HE21      GLN  18   0.888  -1.689   3.223
  134   HE22  GLN  18          HE22      GLN  18  -0.065  -3.084   3.390
  135    H    LEU  19           H        LEU  19   4.197  -1.273  -1.477
  136    HA   LEU  19           HA       LEU  19   6.655  -2.634  -1.987
  137    HB2  LEU  19           HB2      LEU  19   4.594  -1.129  -3.438
  138    HB3  LEU  19           HB3      LEU  19   6.191  -0.934  -4.158
  139    HG   LEU  19           HG       LEU  19   5.000  -2.876  -5.122
  140   HD11  LEU  19          HD11      LEU  19   7.226  -3.913  -3.363
  141   HD12  LEU  19          HD12      LEU  19   7.542  -2.815  -4.706
  142   HD13  LEU  19          HD13      LEU  19   6.819  -4.394  -5.009
  143   HD21  LEU  19          HD21      LEU  19   5.077  -3.919  -2.272
  144   HD22  LEU  19          HD22      LEU  19   4.578  -4.853  -3.682
  145   HD23  LEU  19          HD23      LEU  19   3.630  -3.458  -3.167
  146    H    LEU  20           H        LEU  20   5.890   0.849  -1.823
  147    HA   LEU  20           HA       LEU  20   8.558   1.807  -2.371
  148    HB2  LEU  20           HB2      LEU  20   6.087   2.887  -2.223
  149    HB3  LEU  20           HB3      LEU  20   6.675   3.325  -0.619
  150    HG   LEU  20           HG       LEU  20   8.791   3.865  -2.432
  151   HD11  LEU  20          HD11      LEU  20   6.058   4.615  -3.443
  152   HD12  LEU  20          HD12      LEU  20   7.445   4.002  -4.343
  153   HD13  LEU  20          HD13      LEU  20   7.435   5.668  -3.766
  154   HD21  LEU  20          HD21      LEU  20   8.700   5.983  -1.450
  155   HD22  LEU  20          HD22      LEU  20   7.866   5.006  -0.242
  156   HD23  LEU  20          HD23      LEU  20   6.937   5.985  -1.377
  157    H    ARG  21           H        ARG  21   6.782   1.046   0.635
  158    HA   ARG  21           HA       ARG  21   8.705   1.965   2.530
  159    HB2  ARG  21           HB2      ARG  21   6.445   1.363   3.144
  160    HB3  ARG  21           HB3      ARG  21   6.657  -0.275   2.530
  161    HG2  ARG  21           HG2      ARG  21   8.730   0.249   4.444
  162    HG3  ARG  21           HG3      ARG  21   7.181   0.689   5.162
  163    HD2  ARG  21           HD2      ARG  21   6.711  -1.743   3.793
  164    HD3  ARG  21           HD3      ARG  21   8.242  -1.958   4.661
  165    HE   ARG  21           HE       ARG  21   6.996  -1.908   6.662
  166   HH11  ARG  21          HH21      ARG  21   4.451  -2.387   5.101
  167   HH12  ARG  21          HH22      ARG  21   3.459  -1.071   5.637
  168   HH21  ARG  21          HH11      ARG  21   6.119   0.735   6.960
  169   HH22  ARG  21          HH12      ARG  21   4.409   0.706   6.690
  170    H    ARG  22           H        ARG  22   8.351  -1.224   0.934
  171    HA   ARG  22           HA       ARG  22  10.504  -2.568   2.269
  172    HB2  ARG  22           HB2      ARG  22   8.590  -3.050   0.254
  173    HB3  ARG  22           HB3      ARG  22  10.151  -3.335  -0.515
  174    HG2  ARG  22           HG2      ARG  22  10.349  -4.518   2.034
  175    HG3  ARG  22           HG3      ARG  22   8.754  -4.969   1.427
  176    HD2  ARG  22           HD2      ARG  22  11.255  -5.233  -0.271
  177    HD3  ARG  22           HD3      ARG  22  10.656  -6.547   0.760
  178    HE   ARG  22           HE       ARG  22   8.388  -5.835  -0.586
  179   HH11  ARG  22          HH21      ARG  22   9.937  -4.673  -2.812
  180   HH12  ARG  22          HH22      ARG  22  10.225  -6.037  -3.841
  181   HH21  ARG  22          HH11      ARG  22   9.473  -8.381  -1.387
  182   HH22  ARG  22          HH12      ARG  22   9.962  -8.143  -3.031
  183    H    LEU  23           H        LEU  23  10.407  -0.681  -0.762
  184    HA   LEU  23           HA       LEU  23  13.121  -1.024  -1.571
  185    HB2  LEU  23           HB2      LEU  23  11.093  -0.012  -2.786
  186    HB3  LEU  23           HB3      LEU  23  11.439   1.474  -1.903
  187    HG   LEU  23           HG       LEU  23  13.863   0.407  -3.087
  188   HD11  LEU  23          HD11      LEU  23  13.304   0.623  -5.424
  189   HD12  LEU  23          HD12      LEU  23  11.666   1.153  -5.039
  190   HD13  LEU  23          HD13      LEU  23  12.155  -0.510  -4.713
  191   HD21  LEU  23          HD21      LEU  23  12.374   2.950  -3.780
  192   HD22  LEU  23          HD22      LEU  23  14.113   2.665  -3.818
  193   HD23  LEU  23          HD23      LEU  23  13.271   2.770  -2.273
  194    H    HIS  24           H        HIS  24  11.605   1.378   0.594
  195    HA   HIS  24           HA       HIS  24  13.930   2.997   1.055
  196    HB2  HIS  24           HB2      HIS  24  11.438   3.407   1.565
  197    HB3  HIS  24           HB3      HIS  24  11.690   2.430   3.011
  198    HD1  HIS  24           HD1      HIS  24  10.961   5.188   3.700
  199    HD2  HIS  24           HD2      HIS  24  14.915   4.209   2.808
  200    HE1  HIS  24           HE1      HIS  24  12.402   6.995   4.738
  201    H    GLN  25           H        GLN  25  12.630   0.132   2.763
  202    HA   GLN  25           HA       GLN  25  14.509   0.075   4.921
  203    HB2  GLN  25           HB2      GLN  25  12.340  -1.220   4.619
  204    HB3  GLN  25           HB3      GLN  25  13.214  -2.281   3.513
  205    HG2  GLN  25           HG2      GLN  25  14.823  -2.832   5.302
  206    HG3  GLN  25           HG3      GLN  25  13.959  -1.767   6.410
  207   HE21  GLN  25          HE21      GLN  25  13.122  -3.348   7.870
  208   HE22  GLN  25          HE22      GLN  25  12.060  -4.583   7.393
  209    H    TRP  26           H        TRP  26  14.681  -1.165   1.595
  210    HA   TRP  26           HA       TRP  26  17.120  -2.684   1.915
  211    HB2  TRP  26           HB2      TRP  26  15.234  -1.887  -0.147
  212    HB3  TRP  26           HB3      TRP  26  16.888  -1.761  -0.743
  213    HD1  TRP  26           HD1      TRP  26  14.418  -4.293   0.731
  214    HE1  TRP  26           HE1      TRP  26  15.230  -6.670   0.147
  215    HE3  TRP  26           HE3      TRP  26  18.932  -3.189  -1.389
  216    HZ2  TRP  26           HZ2      TRP  26  17.493  -7.934  -1.059
  217    HZ3  TRP  26           HZ3      TRP  26  20.394  -4.997  -2.246
  218    HH2  TRP  26           HH2      TRP  26  19.681  -7.366  -2.085
  219    H    ILE  27           H        ILE  27  16.410   0.710   1.174
  220    HA   ILE  27           HA       ILE  27  19.209   1.362   0.534
  221    HB   ILE  27           HB       ILE  27  16.694   3.009   0.984
  222   HG12  ILE  27          HG12      ILE  27  18.070   2.585  -1.655
  223   HG13  ILE  27          HG13      ILE  27  17.010   1.324  -1.025
  224   HG21  ILE  27          HG21      ILE  27  18.010   4.792  -0.234
  225   HG22  ILE  27          HG22      ILE  27  19.446   3.790  -0.020
  226   HG23  ILE  27          HG23      ILE  27  18.602   4.432   1.389
  227   HD11  ILE  27          HD11      ILE  27  15.466   2.590  -2.193
  228   HD12  ILE  27          HD12      ILE  27  16.335   4.099  -1.914
  229   HD13  ILE  27          HD13      ILE  27  15.376   3.381  -0.620
  230    H    SER  28           H        SER  28  16.914   2.051   3.203
  231    HA   SER  28           HA       SER  28  19.263   2.803   4.919
  232    HB2  SER  28           HB2      SER  28  16.507   3.891   4.518
  233    HB3  SER  28           HB3      SER  28  17.186   3.982   6.141
  234    HG   SER  28           HG       SER  28  17.898   5.791   5.159
  Start of MODEL   23
    1    H1   SER   1           H1       SER   1 -20.097  -2.556  -8.177
    2    H2   SER   1           H2       SER   1 -19.282  -3.760  -7.298
    3    H3   SER   1           H3       SER   1 -18.546  -3.052  -8.657
    4    HA   SER   1           HA       SER   1 -17.641  -2.193  -6.530
    5    HB2  SER   1           HB2      SER   1 -19.186  -0.324  -8.359
    6    HB3  SER   1           HB3      SER   1 -17.861   0.168  -7.310
    7    HG   SER   1           HG       SER   1 -16.702  -0.346  -9.001
    8    H    ASP   2           H        ASP   2 -18.222  -1.812  -4.431
    9    HA   ASP   2           HA       ASP   2 -20.880  -0.567  -3.858
   10    HB2  ASP   2           HB2      ASP   2 -19.860  -3.260  -3.254
   11    HB3  ASP   2           HB3      ASP   2 -20.484  -2.419  -1.835
   12    H    ALA   3           H        ALA   3 -20.902  -0.104  -1.334
   13    HA   ALA   3           HA       ALA   3 -18.867   1.798  -0.714
   14    HB1  ALA   3           HB1      ALA   3 -19.931   1.721   1.539
   15    HB2  ALA   3           HB2      ALA   3 -20.781   0.250   1.065
   16    HB3  ALA   3           HB3      ALA   3 -21.133   1.773   0.248
   17    H    ALA   4           H        ALA   4 -19.307  -1.581   0.385
   18    HA   ALA   4           HA       ALA   4 -17.064  -1.721   2.148
   19    HB1  ALA   4           HB1      ALA   4 -18.973  -3.341   1.911
   20    HB2  ALA   4           HB2      ALA   4 -17.394  -4.128   1.909
   21    HB3  ALA   4           HB3      ALA   4 -18.262  -3.890   0.392
   22    H    ALA   5           H        ALA   5 -17.337  -2.321  -1.367
   23    HA   ALA   5           HA       ALA   5 -14.660  -3.273  -1.781
   24    HB1  ALA   5           HB1      ALA   5 -16.260  -1.646  -3.760
   25    HB2  ALA   5           HB2      ALA   5 -16.780  -3.267  -3.299
   26    HB3  ALA   5           HB3      ALA   5 -15.213  -3.030  -4.074
   27    H    ARG   6           H        ARG   6 -16.062   0.018  -1.829
   28    HA   ARG   6           HA       ARG   6 -13.707   1.401  -2.690
   29    HB2  ARG   6           HB2      ARG   6 -16.238   2.106  -2.291
   30    HB3  ARG   6           HB3      ARG   6 -15.630   2.568  -0.701
   31    HG2  ARG   6           HG2      ARG   6 -14.110   4.142  -1.613
   32    HG3  ARG   6           HG3      ARG   6 -14.252   3.462  -3.235
   33    HD2  ARG   6           HD2      ARG   6 -16.688   4.172  -3.228
   34    HD3  ARG   6           HD3      ARG   6 -16.351   5.052  -1.723
   35    HE   ARG   6           HE       ARG   6 -14.752   6.442  -2.952
   36   HH11  ARG   6          HH11      ARG   6 -17.240   6.735  -4.588
   37   HH12  ARG   6          HH12      ARG   6 -16.665   6.425  -6.192
   38   HH21  ARG   6          HH21      ARG   6 -13.707   4.941  -5.126
   39   HH22  ARG   6          HH22      ARG   6 -14.656   5.406  -6.498
   40    H    VAL   7           H        VAL   7 -14.801   0.321   0.473
   41    HA   VAL   7           HA       VAL   7 -12.796   1.616   2.078
   42    HB   VAL   7           HB       VAL   7 -14.347  -0.980   2.430
   43   HG11  VAL   7          HG11      VAL   7 -12.541  -1.061   3.985
   44   HG12  VAL   7          HG12      VAL   7 -13.921  -0.458   4.903
   45   HG13  VAL   7          HG13      VAL   7 -12.676   0.661   4.344
   46   HG21  VAL   7          HG21      VAL   7 -15.295   1.618   2.290
   47   HG22  VAL   7          HG22      VAL   7 -15.079   1.379   4.024
   48   HG23  VAL   7          HG23      VAL   7 -16.109   0.283   3.104
   49    H    THR   8           H        THR   8 -12.925  -1.522   0.378
   50    HA   THR   8           HA       THR   8 -10.382  -2.514   1.294
   51    HB   THR   8           HB       THR   8 -11.883  -3.072  -1.283
   52    HG1  THR   8           HG1      THR   8 -13.288  -4.051  -0.088
   53   HG21  THR   8          HG21      THR   8  -9.510  -3.958  -1.008
   54   HG22  THR   8          HG22      THR   8 -10.750  -5.177  -1.296
   55   HG23  THR   8          HG23      THR   8 -10.122  -4.925   0.333
   56    H    ALA   9           H        ALA   9 -11.369  -0.523  -1.455
   57    HA   ALA   9           HA       ALA   9  -8.883  -0.507  -2.872
   58    HB1  ALA   9           HB1      ALA   9 -11.076   0.245  -3.758
   59    HB2  ALA   9           HB2      ALA   9  -9.853   1.502  -3.939
   60    HB3  ALA   9           HB3      ALA   9 -11.043   1.610  -2.643
   61    H    ILE  10           H        ILE  10 -10.132   1.560  -0.291
   62    HA   ILE  10           HA       ILE  10  -8.006   3.476  -0.209
   63    HB   ILE  10           HB       ILE  10  -9.842   2.323   1.927
   64   HG12  ILE  10          HG12      ILE  10 -10.047   5.051   0.669
   65   HG13  ILE  10          HG13      ILE  10 -10.684   3.647  -0.186
   66   HG21  ILE  10          HG21      ILE  10  -8.075   3.323   3.153
   67   HG22  ILE  10          HG22      ILE  10  -9.306   4.582   3.056
   68   HG23  ILE  10          HG23      ILE  10  -7.900   4.638   1.992
   69   HD11  ILE  10          HD11      ILE  10 -11.814   3.117   2.136
   70   HD12  ILE  10          HD12      ILE  10 -12.547   4.296   1.049
   71   HD13  ILE  10          HD13      ILE  10 -11.576   4.842   2.417
   72    H    LEU  11           H        LEU  11  -8.428   0.305   1.358
   73    HA   LEU  11           HA       LEU  11  -5.989   0.320   2.878
   74    HB2  LEU  11           HB2      LEU  11  -8.200  -1.201   2.801
   75    HB3  LEU  11           HB3      LEU  11  -7.155  -2.208   1.799
   76    HG   LEU  11           HG       LEU  11  -6.141  -1.143   4.424
   77   HD11  LEU  11          HD11      LEU  11  -8.394  -2.305   4.726
   78   HD12  LEU  11          HD12      LEU  11  -7.044  -3.012   5.614
   79   HD13  LEU  11          HD13      LEU  11  -7.614  -3.770   4.128
   80   HD21  LEU  11          HD21      LEU  11  -5.421  -3.217   2.419
   81   HD22  LEU  11          HD22      LEU  11  -5.162  -3.654   4.108
   82   HD23  LEU  11          HD23      LEU  11  -4.375  -2.225   3.436
   83    H    SER  12           H        SER  12  -6.803  -0.760  -0.389
   84    HA   SER  12           HA       SER  12  -4.341  -2.061  -1.055
   85    HB2  SER  12           HB2      SER  12  -6.666  -1.907  -2.246
   86    HB3  SER  12           HB3      SER  12  -6.000  -0.464  -3.003
   87    HG   SER  12           HG       SER  12  -4.274  -1.752  -3.758
   88    H    SER  13           H        SER  13  -5.291   1.360  -1.104
   89    HA   SER  13           HA       SER  13  -2.992   2.335  -2.570
   90    HB2  SER  13           HB2      SER  13  -5.278   3.365  -1.008
   91    HB3  SER  13           HB3      SER  13  -3.851   4.396  -0.948
   92    HG   SER  13           HG       SER  13  -5.500   4.546  -2.789
   93    H    LEU  14           H        LEU  14  -3.710   1.807   0.875
   94    HA   LEU  14           HA       LEU  14  -1.341   3.034   1.952
   95    HB2  LEU  14           HB2      LEU  14  -3.683   1.799   2.855
   96    HB3  LEU  14           HB3      LEU  14  -2.395   0.751   3.444
   97    HG   LEU  14           HG       LEU  14  -2.861   2.484   5.104
   98   HD11  LEU  14          HD11      LEU  14  -0.630   3.249   5.449
   99   HD12  LEU  14          HD12      LEU  14  -0.280   3.241   3.720
  100   HD13  LEU  14          HD13      LEU  14  -0.472   1.717   4.589
  101   HD21  LEU  14          HD21      LEU  14  -3.675   4.110   3.243
  102   HD22  LEU  14          HD22      LEU  14  -1.977   4.573   3.115
  103   HD23  LEU  14          HD23      LEU  14  -2.839   4.796   4.637
  104    H    THR  15           H        THR  15  -2.097  -0.393   1.169
  105    HA   THR  15           HA       THR  15   0.392  -1.518   1.972
  106    HB   THR  15           HB       THR  15  -0.259  -3.295   0.253
  107    HG1  THR  15           HG1      THR  15  -1.421  -2.361  -1.259
  108   HG21  THR  15          HG21      THR  15  -1.108  -3.026   2.702
  109   HG22  THR  15          HG22      THR  15  -1.964  -4.131   1.626
  110   HG23  THR  15          HG23      THR  15  -2.623  -2.527   1.948
  111    H    VAL  16           H        VAL  16  -0.563  -0.011  -1.122
  112    HA   VAL  16           HA       VAL  16   1.793  -0.616  -2.621
  113    HB   VAL  16           HB       VAL  16  -0.263   1.609  -2.639
  114   HG11  VAL  16          HG11      VAL  16   0.684   2.179  -4.925
  115   HG12  VAL  16          HG12      VAL  16   2.099   1.218  -4.499
  116   HG13  VAL  16          HG13      VAL  16   1.697   2.660  -3.565
  117   HG21  VAL  16          HG21      VAL  16  -0.971  -0.650  -3.338
  118   HG22  VAL  16          HG22      VAL  16   0.344  -0.704  -4.512
  119   HG23  VAL  16          HG23      VAL  16  -0.971   0.455  -4.713
  120    H    THR  17           H        THR  17   1.038   2.113  -0.428
  121    HA   THR  17           HA       THR  17   3.474   3.583  -0.798
  122    HB   THR  17           HB       THR  17   1.739   3.320   1.686
  123    HG1  THR  17           HG1      THR  17   1.449   4.854  -0.677
  124   HG21  THR  17          HG21      THR  17   3.522   5.541   0.650
  125   HG22  THR  17          HG22      THR  17   3.797   4.558   2.089
  126   HG23  THR  17          HG23      THR  17   2.444   5.687   2.039
  127    H    GLN  18           H        GLN  18   2.565   1.038   1.549
  128    HA   GLN  18           HA       GLN  18   5.056   0.983   2.976
  129    HB2  GLN  18           HB2      GLN  18   2.572  -0.569   2.731
  130    HB3  GLN  18           HB3      GLN  18   3.972  -1.569   3.117
  131    HG2  GLN  18           HG2      GLN  18   4.010  -0.810   5.238
  132    HG3  GLN  18           HG3      GLN  18   4.011   0.866   4.687
  133   HE21  GLN  18          HE21      GLN  18   1.551  -1.797   4.550
  134   HE22  GLN  18          HE22      GLN  18   0.297  -0.855   5.203
  135    H    LEU  19           H        LEU  19   3.884  -0.765   0.140
  136    HA   LEU  19           HA       LEU  19   6.035  -2.595  -0.214
  137    HB2  LEU  19           HB2      LEU  19   3.936  -1.291  -1.889
  138    HB3  LEU  19           HB3      LEU  19   5.268  -2.064  -2.748
  139    HG   LEU  19           HG       LEU  19   3.763  -3.481  -0.544
  140   HD11  LEU  19          HD11      LEU  19   2.421  -4.558  -2.312
  141   HD12  LEU  19          HD12      LEU  19   3.188  -3.531  -3.524
  142   HD13  LEU  19          HD13      LEU  19   2.148  -2.816  -2.292
  143   HD21  LEU  19          HD21      LEU  19   5.488  -4.388  -2.874
  144   HD22  LEU  19          HD22      LEU  19   4.639  -5.478  -1.777
  145   HD23  LEU  19          HD23      LEU  19   5.924  -4.437  -1.166
  146    H    LEU  20           H        LEU  20   5.681   0.815  -1.187
  147    HA   LEU  20           HA       LEU  20   8.101   1.018  -2.730
  148    HB2  LEU  20           HB2      LEU  20   5.944   2.613  -2.107
  149    HB3  LEU  20           HB3      LEU  20   7.225   3.372  -1.160
  150    HG   LEU  20           HG       LEU  20   7.422   2.728  -4.120
  151   HD11  LEU  20          HD11      LEU  20   7.214   5.473  -2.882
  152   HD12  LEU  20          HD12      LEU  20   5.776   4.571  -3.360
  153   HD13  LEU  20          HD13      LEU  20   6.984   5.008  -4.568
  154   HD21  LEU  20          HD21      LEU  20   9.247   4.052  -2.109
  155   HD22  LEU  20          HD22      LEU  20   9.378   4.414  -3.830
  156   HD23  LEU  20          HD23      LEU  20   9.624   2.765  -3.255
  157    H    ARG  21           H        ARG  21   7.368   1.489   0.738
  158    HA   ARG  21           HA       ARG  21   9.973   2.397   1.549
  159    HB2  ARG  21           HB2      ARG  21   7.672   2.364   2.762
  160    HB3  ARG  21           HB3      ARG  21   8.090   0.709   3.205
  161    HG2  ARG  21           HG2      ARG  21   9.022   1.790   5.010
  162    HG3  ARG  21           HG3      ARG  21  10.391   1.894   3.906
  163    HD2  ARG  21           HD2      ARG  21   8.544   4.089   3.431
  164    HD3  ARG  21           HD3      ARG  21   9.068   4.059   5.125
  165    HE   ARG  21           HE       ARG  21  11.314   3.575   3.375
  166   HH11  ARG  21          HH11      ARG  21   9.641   6.055   2.420
  167   HH12  ARG  21          HH12      ARG  21  10.562   7.327   3.153
  168   HH21  ARG  21          HH21      ARG  21  12.327   5.188   5.254
  169   HH22  ARG  21          HH22      ARG  21  12.091   6.832   4.764
  170    H    ARG  22           H        ARG  22   8.552  -0.852   1.170
  171    HA   ARG  22           HA       ARG  22  10.653  -2.395   2.346
  172    HB2  ARG  22           HB2      ARG  22   8.528  -2.808   0.250
  173    HB3  ARG  22           HB3      ARG  22   9.700  -4.087   0.562
  174    HG2  ARG  22           HG2      ARG  22   8.996  -4.353   2.800
  175    HG3  ARG  22           HG3      ARG  22   8.194  -2.782   2.826
  176    HD2  ARG  22           HD2      ARG  22   6.338  -4.159   2.551
  177    HD3  ARG  22           HD3      ARG  22   6.766  -3.910   0.847
  178    HE   ARG  22           HE       ARG  22   8.081  -6.178   2.237
  179   HH11  ARG  22          HH11      ARG  22   5.210  -6.863   1.914
  180   HH12  ARG  22          HH12      ARG  22   5.162  -7.564   0.331
  181   HH21  ARG  22          HH21      ARG  22   8.238  -6.254  -0.624
  182   HH22  ARG  22          HH22      ARG  22   6.885  -7.218  -1.113
  183    H    LEU  23           H        LEU  23  10.121  -1.406  -1.056
  184    HA   LEU  23           HA       LEU  23  12.511  -2.536  -2.156
  185    HB2  LEU  23           HB2      LEU  23  10.475  -1.678  -3.368
  186    HB3  LEU  23           HB3      LEU  23  10.994  -0.036  -2.985
  187    HG   LEU  23           HG       LEU  23  13.241  -0.712  -4.097
  188   HD11  LEU  23          HD11      LEU  23  12.726  -3.137  -4.188
  189   HD12  LEU  23          HD12      LEU  23  13.039  -2.478  -5.794
  190   HD13  LEU  23          HD13      LEU  23  11.382  -2.798  -5.279
  191   HD21  LEU  23          HD21      LEU  23  11.601   0.881  -5.062
  192   HD22  LEU  23          HD22      LEU  23  10.723  -0.472  -5.777
  193   HD23  LEU  23          HD23      LEU  23  12.361  -0.101  -6.315
  194    H    HIS  24           H        HIS  24  11.829   0.643  -0.693
  195    HA   HIS  24           HA       HIS  24  14.358   1.886  -1.234
  196    HB2  HIS  24           HB2      HIS  24  12.474   3.204  -0.566
  197    HB3  HIS  24           HB3      HIS  24  12.197   2.212   0.865
  198    HD1  HIS  24           HD1      HIS  24  14.818   4.598  -0.535
  199    HD2  HIS  24           HD2      HIS  24  13.504   3.127   3.137
  200    HE1  HIS  24           HE1      HIS  24  16.090   5.873   1.247
  201    H    GLN  25           H        GLN  25  13.179   0.025   1.593
  202    HA   GLN  25           HA       GLN  25  15.518   0.229   3.216
  203    HB2  GLN  25           HB2      GLN  25  13.349  -1.869   2.907
  204    HB3  GLN  25           HB3      GLN  25  14.558  -1.931   4.188
  205    HG2  GLN  25           HG2      GLN  25  12.878   0.538   3.736
  206    HG3  GLN  25           HG3      GLN  25  12.303  -0.792   4.740
  207   HE21  GLN  25          HE21      GLN  25  14.034  -1.510   6.488
  208   HE22  GLN  25          HE22      GLN  25  14.868  -0.249   7.258
  209    H    TRP  26           H        TRP  26  14.627  -2.109   0.668
  210    HA   TRP  26           HA       TRP  26  16.793  -3.936   0.948
  211    HB2  TRP  26           HB2      TRP  26  14.802  -3.112  -1.078
  212    HB3  TRP  26           HB3      TRP  26  16.259  -3.838  -1.754
  213    HD1  TRP  26           HD1      TRP  26  13.248  -4.624   0.438
  214    HE1  TRP  26           HE1      TRP  26  13.103  -7.176   0.776
  215    HE3  TRP  26           HE3      TRP  26  17.678  -6.048  -1.667
  216    HZ2  TRP  26           HZ2      TRP  26  14.659  -9.512   0.225
  217    HZ3  TRP  26           HZ3      TRP  26  18.320  -8.440  -1.747
  218    HH2  TRP  26           HH2      TRP  26  16.818 -10.173  -0.806
  219    H    ILE  27           H        ILE  27  16.581  -0.815  -0.751
  220    HA   ILE  27           HA       ILE  27  19.312  -1.029  -1.839
  221    HB   ILE  27           HB       ILE  27  17.310   1.259  -1.719
  222   HG12  ILE  27          HG12      ILE  27  17.867  -0.303  -4.208
  223   HG13  ILE  27          HG13      ILE  27  16.852  -1.064  -2.983
  224   HG21  ILE  27          HG21      ILE  27  18.634   2.148  -3.632
  225   HG22  ILE  27          HG22      ILE  27  19.790   0.834  -3.416
  226   HG23  ILE  27          HG23      ILE  27  19.588   2.046  -2.151
  227   HD11  ILE  27          HD11      ILE  27  16.359   1.458  -4.543
  228   HD12  ILE  27          HD12      ILE  27  15.601   1.238  -2.965
  229   HD13  ILE  27          HD13      ILE  27  15.276   0.094  -4.266
  230    H    SER  28           H        SER  28  17.618   0.925   0.643
  231    HA   SER  28           HA       SER  28  20.169   1.221   2.131
  232    HB2  SER  28           HB2      SER  28  19.641   3.752   2.216
  233    HB3  SER  28           HB3      SER  28  20.293   3.122   0.708
  234    HG   SER  28           HG       SER  28  17.531   3.480   1.297
  Start of MODEL   24
    1    H1   SER   1           H1       SER   1 -17.885   7.017  -5.658
    2    H2   SER   1           H2       SER   1 -16.652   7.106  -6.824
    3    H3   SER   1           H3       SER   1 -16.563   5.956  -5.577
    4    HA   SER   1           HA       SER   1 -18.577   6.006  -7.773
    5    HB2  SER   1           HB2      SER   1 -16.257   4.152  -7.138
    6    HB3  SER   1           HB3      SER   1 -17.325   4.035  -8.534
    7    HG   SER   1           HG       SER   1 -15.651   5.181  -9.291
    8    H    ASP   2           H        ASP   2 -17.169   3.890  -5.216
    9    HA   ASP   2           HA       ASP   2 -19.943   3.116  -4.426
   10    HB2  ASP   2           HB2      ASP   2 -18.948   1.537  -6.122
   11    HB3  ASP   2           HB3      ASP   2 -17.662   1.188  -4.967
   12    H    ALA   3           H        ALA   3 -20.139   2.814  -2.211
   13    HA   ALA   3           HA       ALA   3 -18.065   3.750  -0.442
   14    HB1  ALA   3           HB1      ALA   3 -20.589   2.149   0.096
   15    HB2  ALA   3           HB2      ALA   3 -20.507   3.906  -0.042
   16    HB3  ALA   3           HB3      ALA   3 -19.693   3.087   1.291
   17    H    ALA   4           H        ALA   4 -19.362   0.450  -1.042
   18    HA   ALA   4           HA       ALA   4 -17.635  -0.918   0.795
   19    HB1  ALA   4           HB1      ALA   4 -19.766  -1.699  -0.393
   20    HB2  ALA   4           HB2      ALA   4 -18.457  -2.878  -0.315
   21    HB3  ALA   4           HB3      ALA   4 -18.755  -1.990  -1.808
   22    H    ALA   5           H        ALA   5 -17.290  -0.204  -2.696
   23    HA   ALA   5           HA       ALA   5 -14.805  -1.601  -3.080
   24    HB1  ALA   5           HB1      ALA   5 -15.643   0.891  -4.564
   25    HB2  ALA   5           HB2      ALA   5 -16.563  -0.604  -4.740
   26    HB3  ALA   5           HB3      ALA   5 -14.861  -0.556  -5.200
   27    H    ARG   6           H        ARG   6 -15.545   1.766  -2.122
   28    HA   ARG   6           HA       ARG   6 -12.860   2.756  -2.194
   29    HB2  ARG   6           HB2      ARG   6 -15.463   3.481  -0.939
   30    HB3  ARG   6           HB3      ARG   6 -14.024   4.231  -0.252
   31    HG2  ARG   6           HG2      ARG   6 -13.695   4.394  -3.050
   32    HG3  ARG   6           HG3      ARG   6 -15.373   4.836  -2.742
   33    HD2  ARG   6           HD2      ARG   6 -14.035   6.863  -2.596
   34    HD3  ARG   6           HD3      ARG   6 -14.517   6.428  -0.945
   35    HE   ARG   6           HE       ARG   6 -11.931   5.343  -1.925
   36   HH11  ARG   6          HH21      ARG   6 -13.185   5.778   0.945
   37   HH12  ARG   6          HH22      ARG   6 -12.085   6.969   1.553
   38   HH21  ARG   6          HH11      ARG   6 -10.719   7.675  -1.566
   39   HH22  ARG   6          HH12      ARG   6 -10.683   8.046   0.125
   40    H    VAL   7           H        VAL   7 -14.681   1.019   0.265
   41    HA   VAL   7           HA       VAL   7 -12.781   1.236   2.417
   42    HB   VAL   7           HB       VAL   7 -14.858  -0.860   1.674
   43   HG11  VAL   7          HG11      VAL   7 -14.731  -1.595   4.007
   44   HG12  VAL   7          HG12      VAL   7 -13.472  -0.405   4.336
   45   HG13  VAL   7          HG13      VAL   7 -13.148  -1.754   3.247
   46   HG21  VAL   7          HG21      VAL   7 -15.188   1.780   2.449
   47   HG22  VAL   7          HG22      VAL   7 -15.324   0.907   3.975
   48   HG23  VAL   7          HG23      VAL   7 -16.395   0.507   2.632
   49    H    THR   8           H        THR   8 -13.203  -1.086  -0.262
   50    HA   THR   8           HA       THR   8 -11.038  -2.841   0.523
   51    HB   THR   8           HB       THR   8 -12.266  -2.360  -2.208
   52    HG1  THR   8           HG1      THR   8 -14.005  -3.176  -1.399
   53   HG21  THR   8          HG21      THR   8 -11.725  -4.775  -2.516
   54   HG22  THR   8          HG22      THR   8 -10.915  -4.765  -0.951
   55   HG23  THR   8          HG23      THR   8 -10.287  -3.783  -2.275
   56    H    ALA   9           H        ALA   9 -11.303  -0.011  -1.566
   57    HA   ALA   9           HA       ALA   9  -8.696  -0.154  -2.759
   58    HB1  ALA   9           HB1      ALA   9 -10.793   1.943  -2.305
   59    HB2  ALA   9           HB2      ALA   9 -10.233   1.252  -3.827
   60    HB3  ALA   9           HB3      ALA   9  -9.230   2.418  -2.965
   61    H    ILE  10           H        ILE  10  -9.869   1.429   0.182
   62    HA   ILE  10           HA       ILE  10  -7.522   2.877   0.896
   63    HB   ILE  10           HB       ILE  10  -9.692   1.498   2.516
   64   HG12  ILE  10          HG12      ILE  10  -9.298   4.461   2.116
   65   HG13  ILE  10          HG13      ILE  10 -10.114   3.497   0.885
   66   HG21  ILE  10          HG21      ILE  10  -8.969   2.762   4.447
   67   HG22  ILE  10          HG22      ILE  10  -7.731   3.590   3.503
   68   HG23  ILE  10          HG23      ILE  10  -7.574   1.867   3.844
   69   HD11  ILE  10          HD11      ILE  10 -11.887   4.220   2.256
   70   HD12  ILE  10          HD12      ILE  10 -10.951   4.006   3.735
   71   HD13  ILE  10          HD13      ILE  10 -11.549   2.597   2.859
   72    H    LEU  11           H        LEU  11  -8.455  -0.504   1.544
   73    HA   LEU  11           HA       LEU  11  -6.144  -1.202   3.107
   74    HB2  LEU  11           HB2      LEU  11  -8.508  -2.422   1.972
   75    HB3  LEU  11           HB3      LEU  11  -7.115  -3.472   1.720
   76    HG   LEU  11           HG       LEU  11  -8.316  -3.882   3.893
   77   HD11  LEU  11          HD11      LEU  11  -6.247  -3.918   5.265
   78   HD12  LEU  11          HD12      LEU  11  -5.458  -2.880   4.076
   79   HD13  LEU  11          HD13      LEU  11  -5.960  -4.511   3.629
   80   HD21  LEU  11          HD21      LEU  11  -7.065  -1.376   4.961
   81   HD22  LEU  11          HD22      LEU  11  -8.468  -2.266   5.553
   82   HD23  LEU  11          HD23      LEU  11  -8.610  -1.248   4.119
   83    H    SER  12           H        SER  12  -6.850  -1.323  -0.350
   84    HA   SER  12           HA       SER  12  -4.506  -2.747  -1.196
   85    HB2  SER  12           HB2      SER  12  -6.257  -0.690  -2.582
   86    HB3  SER  12           HB3      SER  12  -5.109  -1.743  -3.405
   87    HG   SER  12           HG       SER  12  -7.564  -2.320  -2.219
   88    H    SER  13           H        SER  13  -5.154   0.790  -1.000
   89    HA   SER  13           HA       SER  13  -2.574   1.617  -1.960
   90    HB2  SER  13           HB2      SER  13  -3.276   3.769  -0.740
   91    HB3  SER  13           HB3      SER  13  -4.383   3.167  -1.968
   92    HG   SER  13           HG       SER  13  -4.621   3.227   0.810
   93    H    LEU  14           H        LEU  14  -3.756   0.806   1.294
   94    HA   LEU  14           HA       LEU  14  -1.535   1.801   2.808
   95    HB2  LEU  14           HB2      LEU  14  -3.860   0.037   3.126
   96    HB3  LEU  14           HB3      LEU  14  -2.492  -0.481   4.107
   97    HG   LEU  14           HG       LEU  14  -4.008   1.136   5.281
   98   HD11  LEU  14          HD11      LEU  14  -2.221   2.485   6.197
   99   HD12  LEU  14          HD12      LEU  14  -1.245   2.259   4.746
  100   HD13  LEU  14          HD13      LEU  14  -1.564   0.893   5.815
  101   HD21  LEU  14          HD21      LEU  14  -2.886   3.393   3.702
  102   HD22  LEU  14          HD22      LEU  14  -4.468   3.228   4.463
  103   HD23  LEU  14          HD23      LEU  14  -4.149   2.447   2.915
  104    H    THR  15           H        THR  15  -2.146  -1.450   1.409
  105    HA   THR  15           HA       THR  15   0.365  -2.579   2.284
  106    HB   THR  15           HB       THR  15  -2.009  -3.483   1.225
  107    HG1  THR  15           HG1      THR  15  -0.573  -4.668   2.502
  108   HG21  THR  15          HG21      THR  15   0.121  -3.876  -0.900
  109   HG22  THR  15          HG22      THR  15  -1.340  -2.906  -1.077
  110   HG23  THR  15          HG23      THR  15  -1.461  -4.654  -0.879
  111    H    VAL  16           H        VAL  16  -0.649  -0.918  -0.705
  112    HA   VAL  16           HA       VAL  16   1.682  -1.438  -2.279
  113    HB   VAL  16           HB       VAL  16  -0.372   0.788  -2.167
  114   HG11  VAL  16          HG11      VAL  16   0.497   1.357  -4.495
  115   HG12  VAL  16          HG12      VAL  16   1.924   0.398  -4.106
  116   HG13  VAL  16          HG13      VAL  16   1.545   1.837  -3.160
  117   HG21  VAL  16          HG21      VAL  16  -1.502  -0.422  -3.775
  118   HG22  VAL  16          HG22      VAL  16  -0.682  -1.757  -2.968
  119   HG23  VAL  16          HG23      VAL  16  -0.022  -1.091  -4.462
  120    H    THR  17           H        THR  17   0.925   1.301  -0.079
  121    HA   THR  17           HA       THR  17   3.382   2.728  -0.469
  122    HB   THR  17           HB       THR  17   1.352   2.566   1.779
  123    HG1  THR  17           HG1      THR  17   0.380   3.736   0.338
  124   HG21  THR  17          HG21      THR  17   3.289   3.357   2.894
  125   HG22  THR  17          HG22      THR  17   2.417   4.820   2.438
  126   HG23  THR  17          HG23      THR  17   3.812   4.295   1.495
  127    H    GLN  18           H        GLN  18   2.468   0.203   1.902
  128    HA   GLN  18           HA       GLN  18   4.893   0.263   3.425
  129    HB2  GLN  18           HB2      GLN  18   2.491  -1.346   3.136
  130    HB3  GLN  18           HB3      GLN  18   3.900  -2.372   3.403
  131    HG2  GLN  18           HG2      GLN  18   4.505  -1.030   5.388
  132    HG3  GLN  18           HG3      GLN  18   3.090  -0.009   5.126
  133   HE21  GLN  18          HE21      GLN  18   2.772  -1.001   7.501
  134   HE22  GLN  18          HE22      GLN  18   1.844  -2.420   7.565
  135    H    LEU  19           H        LEU  19   3.984  -1.529   0.524
  136    HA   LEU  19           HA       LEU  19   6.333  -3.168   0.312
  137    HB2  LEU  19           HB2      LEU  19   4.053  -3.236  -0.927
  138    HB3  LEU  19           HB3      LEU  19   4.748  -2.017  -1.996
  139    HG   LEU  19           HG       LEU  19   6.736  -3.633  -2.264
  140   HD11  LEU  19          HD11      LEU  19   6.279  -5.130  -0.418
  141   HD12  LEU  19          HD12      LEU  19   6.072  -6.041  -1.915
  142   HD13  LEU  19          HD13      LEU  19   4.660  -5.465  -1.030
  143   HD21  LEU  19          HD21      LEU  19   5.161  -3.268  -4.074
  144   HD22  LEU  19          HD22      LEU  19   3.969  -4.319  -3.306
  145   HD23  LEU  19          HD23      LEU  19   5.461  -5.001  -3.952
  146    H    LEU  20           H        LEU  20   5.545   0.102  -0.844
  147    HA   LEU  20           HA       LEU  20   7.958   0.566  -2.340
  148    HB2  LEU  20           HB2      LEU  20   5.613   2.032  -1.328
  149    HB3  LEU  20           HB3      LEU  20   7.063   3.027  -1.424
  150    HG   LEU  20           HG       LEU  20   5.793   3.118  -3.535
  151   HD11  LEU  20          HD11      LEU  20   8.357   3.135  -3.442
  152   HD12  LEU  20          HD12      LEU  20   7.630   2.757  -5.003
  153   HD13  LEU  20          HD13      LEU  20   8.282   1.464  -3.999
  154   HD21  LEU  20          HD21      LEU  20   6.314   0.127  -3.625
  155   HD22  LEU  20          HD22      LEU  20   5.598   1.078  -4.925
  156   HD23  LEU  20          HD23      LEU  20   4.742   0.890  -3.394
  157    H    ARG  21           H        ARG  21   7.062   1.161   1.081
  158    HA   ARG  21           HA       ARG  21   9.401   2.615   1.853
  159    HB2  ARG  21           HB2      ARG  21   7.117   1.982   3.046
  160    HB3  ARG  21           HB3      ARG  21   8.061   0.628   3.667
  161    HG2  ARG  21           HG2      ARG  21   9.825   2.535   4.211
  162    HG3  ARG  21           HG3      ARG  21   8.391   3.562   4.179
  163    HD2  ARG  21           HD2      ARG  21   7.508   1.425   5.684
  164    HD3  ARG  21           HD3      ARG  21   9.206   1.561   6.186
  165    HE   ARG  21           HE       ARG  21   7.194   3.766   6.357
  166   HH11  ARG  21          HH21      ARG  21   8.462   2.489   8.789
  167   HH12  ARG  21          HH22      ARG  21   9.694   3.639   9.186
  168   HH21  ARG  21          HH11      ARG  21   9.570   5.232   6.100
  169   HH22  ARG  21          HH12      ARG  21  10.324   5.198   7.657
  170    H    ARG  22           H        ARG  22   8.731  -0.900   1.862
  171    HA   ARG  22           HA       ARG  22  11.279  -1.719   2.927
  172    HB2  ARG  22           HB2      ARG  22   8.884  -2.887   1.647
  173    HB3  ARG  22           HB3      ARG  22  10.362  -3.811   1.386
  174    HG2  ARG  22           HG2      ARG  22   9.619  -4.707   3.406
  175    HG3  ARG  22           HG3      ARG  22  10.713  -3.444   3.968
  176    HD2  ARG  22           HD2      ARG  22   8.912  -2.777   5.222
  177    HD3  ARG  22           HD3      ARG  22   8.354  -2.045   3.705
  178    HE   ARG  22           HE       ARG  22   6.889  -3.925   3.364
  179   HH11  ARG  22          HH21      ARG  22   6.324  -3.534   6.262
  180   HH12  ARG  22          HH22      ARG  22   6.551  -5.125   6.907
  181   HH21  ARG  22          HH11      ARG  22   8.303  -6.280   4.135
  182   HH22  ARG  22          HH12      ARG  22   7.677  -6.688   5.698
  183    H    LEU  23           H        LEU  23  10.064  -1.357  -0.421
  184    HA   LEU  23           HA       LEU  23  12.479  -2.282  -1.711
  185    HB2  LEU  23           HB2      LEU  23  10.010  -1.956  -2.542
  186    HB3  LEU  23           HB3      LEU  23  10.536  -0.311  -2.902
  187    HG   LEU  23           HG       LEU  23  12.563  -1.504  -4.072
  188   HD11  LEU  23          HD11      LEU  23  10.466  -3.684  -3.907
  189   HD12  LEU  23          HD12      LEU  23  12.147  -3.767  -3.382
  190   HD13  LEU  23          HD13      LEU  23  11.764  -3.687  -5.101
  191   HD21  LEU  23          HD21      LEU  23   9.739  -1.440  -5.178
  192   HD22  LEU  23          HD22      LEU  23  11.173  -1.700  -6.171
  193   HD23  LEU  23          HD23      LEU  23  10.961  -0.175  -5.310
  194    H    HIS  24           H        HIS  24  11.345   0.932  -0.659
  195    HA   HIS  24           HA       HIS  24  13.248   2.573  -1.972
  196    HB2  HIS  24           HB2      HIS  24  11.332   2.726   0.187
  197    HB3  HIS  24           HB3      HIS  24  12.796   3.597   0.638
  198    HD1  HIS  24           HD1      HIS  24   9.717   4.188  -1.010
  199    HD2  HIS  24           HD2      HIS  24  13.653   5.301  -1.817
  200    HE1  HIS  24           HE1      HIS  24   9.592   6.168  -2.582
  201    H    GLN  25           H        GLN  25  13.543   0.767   1.107
  202    HA   GLN  25           HA       GLN  25  16.113   1.773   1.887
  203    HB2  GLN  25           HB2      GLN  25  14.455  -0.685   2.384
  204    HB3  GLN  25           HB3      GLN  25  16.120  -0.657   2.964
  205    HG2  GLN  25           HG2      GLN  25  15.182   1.824   3.736
  206    HG3  GLN  25           HG3      GLN  25  13.770   0.792   3.967
  207   HE21  GLN  25          HE21      GLN  25  17.306   0.842   4.710
  208   HE22  GLN  25          HE22      GLN  25  17.151   0.019   6.186
  209    H    TRP  26           H        TRP  26  15.158  -1.015  -0.125
  210    HA   TRP  26           HA       TRP  26  17.856  -1.919  -0.687
  211    HB2  TRP  26           HB2      TRP  26  15.895  -3.370  -0.834
  212    HB3  TRP  26           HB3      TRP  26  15.164  -2.314  -2.043
  213    HD1  TRP  26           HD1      TRP  26  18.146  -4.700  -1.582
  214    HE1  TRP  26           HE1      TRP  26  18.880  -5.538  -3.907
  215    HE3  TRP  26           HE3      TRP  26  15.095  -1.873  -4.543
  216    HZ2  TRP  26           HZ2      TRP  26  18.254  -5.071  -6.660
  217    HZ3  TRP  26           HZ3      TRP  26  15.183  -2.089  -7.010
  218    HH2  TRP  26           HH2      TRP  26  16.758  -3.681  -8.071
  219    H    ILE  27           H        ILE  27  15.630   0.388  -2.199
  220    HA   ILE  27           HA       ILE  27  17.146   0.722  -4.662
  221    HB   ILE  27           HB       ILE  27  14.976   2.269  -3.217
  222   HG12  ILE  27          HG12      ILE  27  14.478   0.005  -4.244
  223   HG13  ILE  27          HG13      ILE  27  13.511   1.330  -4.885
  224   HG21  ILE  27          HG21      ILE  27  15.950   3.989  -4.469
  225   HG22  ILE  27          HG22      ILE  27  14.743   3.355  -5.587
  226   HG23  ILE  27          HG23      ILE  27  16.438   2.902  -5.770
  227   HD11  ILE  27          HD11      ILE  27  16.013   0.200  -6.174
  228   HD12  ILE  27          HD12      ILE  27  15.025   1.511  -6.819
  229   HD13  ILE  27          HD13      ILE  27  14.360  -0.117  -6.698
  230    H    SER  28           H        SER  28  16.720   2.797  -1.757
  231    HA   SER  28           HA       SER  28  18.062   4.519  -0.875
  232    HB2  SER  28           HB2      SER  28  19.947   2.469  -2.018
  233    HB3  SER  28           HB3      SER  28  20.595   3.935  -1.289
  234    HG   SER  28           HG       SER  28  18.964   1.934  -0.117
  Start of MODEL   25
    1    H1   SER   1           H1       SER   1 -21.625  -5.042  -1.027
    2    H2   SER   1           H2       SER   1 -23.260  -4.762  -1.399
    3    H3   SER   1           H3       SER   1 -22.828  -5.395   0.118
    4    HA   SER   1           HA       SER   1 -23.412  -2.949   0.099
    5    HB2  SER   1           HB2      SER   1 -20.637  -3.781   1.002
    6    HB3  SER   1           HB3      SER   1 -21.658  -2.549   1.737
    7    HG   SER   1           HG       SER   1 -21.795  -4.536   2.856
    8    H    ASP   2           H        ASP   2 -22.534  -0.812  -0.372
    9    HA   ASP   2           HA       ASP   2 -20.830  -0.767  -2.821
   10    HB2  ASP   2           HB2      ASP   2 -23.017   0.317  -2.918
   11    HB3  ASP   2           HB3      ASP   2 -22.647   1.262  -1.475
   12    H    ALA   3           H        ALA   3 -21.183   1.143   0.208
   13    HA   ALA   3           HA       ALA   3 -18.733   2.567   0.046
   14    HB1  ALA   3           HB1      ALA   3 -19.086   2.764   2.541
   15    HB2  ALA   3           HB2      ALA   3 -20.386   1.583   2.392
   16    HB3  ALA   3           HB3      ALA   3 -20.517   3.145   1.584
   17    H    ALA   4           H        ALA   4 -19.405  -0.701   1.267
   18    HA   ALA   4           HA       ALA   4 -16.995  -1.235   2.666
   19    HB1  ALA   4           HB1      ALA   4 -18.687  -3.064   0.930
   20    HB2  ALA   4           HB2      ALA   4 -19.034  -2.649   2.609
   21    HB3  ALA   4           HB3      ALA   4 -17.594  -3.586   2.211
   22    H    ALA   5           H        ALA   5 -17.718  -1.507  -0.828
   23    HA   ALA   5           HA       ALA   5 -15.245  -2.713  -1.630
   24    HB1  ALA   5           HB1      ALA   5 -15.913  -1.720  -3.861
   25    HB2  ALA   5           HB2      ALA   5 -17.209  -0.865  -3.026
   26    HB3  ALA   5           HB3      ALA   5 -17.203  -2.629  -3.070
   27    H    ARG   6           H        ARG   6 -16.202   0.722  -1.293
   28    HA   ARG   6           HA       ARG   6 -13.767   1.855  -2.286
   29    HB2  ARG   6           HB2      ARG   6 -16.174   2.671  -0.830
   30    HB3  ARG   6           HB3      ARG   6 -14.751   3.580  -0.323
   31    HG2  ARG   6           HG2      ARG   6 -14.305   3.799  -2.901
   32    HG3  ARG   6           HG3      ARG   6 -16.023   3.423  -3.042
   33    HD2  ARG   6           HD2      ARG   6 -16.479   5.303  -1.396
   34    HD3  ARG   6           HD3      ARG   6 -14.770   5.757  -1.558
   35    HE   ARG   6           HE       ARG   6 -16.697   5.680  -3.854
   36   HH11  ARG   6          HH21      ARG   6 -13.939   5.548  -4.803
   37   HH12  ARG   6          HH22      ARG   6 -13.470   7.210  -4.931
   38   HH21  ARG   6          HH11      ARG   6 -16.060   8.366  -2.921
   39   HH22  ARG   6          HH12      ARG   6 -14.676   8.813  -3.860
   40    H    VAL   7           H        VAL   7 -14.714   0.664   0.885
   41    HA   VAL   7           HA       VAL   7 -12.435   1.579   2.382
   42    HB   VAL   7           HB       VAL   7 -14.201  -0.882   2.699
   43   HG11  VAL   7          HG11      VAL   7 -12.369   0.559   4.638
   44   HG12  VAL   7          HG12      VAL   7 -12.218  -1.105   4.074
   45   HG13  VAL   7          HG13      VAL   7 -13.560  -0.648   5.122
   46   HG21  VAL   7          HG21      VAL   7 -14.604   1.477   4.431
   47   HG22  VAL   7          HG22      VAL   7 -15.796   0.460   3.620
   48   HG23  VAL   7          HG23      VAL   7 -14.988   1.752   2.732
   49    H    THR   8           H        THR   8 -13.077  -1.364   0.459
   50    HA   THR   8           HA       THR   8 -10.619  -2.729   1.051
   51    HB   THR   8           HB       THR   8 -12.326  -2.820  -1.456
   52    HG1  THR   8           HG1      THR   8 -13.765  -3.831  -0.311
   53   HG21  THR   8          HG21      THR   8 -11.567  -5.192  -1.508
   54   HG22  THR   8          HG22      THR   8 -10.520  -4.862  -0.129
   55   HG23  THR   8          HG23      THR   8 -10.231  -4.053  -1.670
   56    H    ALA   9           H        ALA   9 -11.533  -0.371  -1.420
   57    HA   ALA   9           HA       ALA   9  -9.100  -0.480  -2.953
   58    HB1  ALA   9           HB1      ALA   9  -9.959   1.800  -3.718
   59    HB2  ALA   9           HB2      ALA   9 -11.256   1.605  -2.538
   60    HB3  ALA   9           HB3      ALA   9 -11.108   0.472  -3.883
   61    H    ILE  10           H        ILE  10 -10.117   1.492  -0.202
   62    HA   ILE  10           HA       ILE  10  -7.883   3.273  -0.089
   63    HB   ILE  10           HB       ILE  10  -9.743   2.089   1.997
   64   HG12  ILE  10          HG12      ILE  10 -10.689   3.594   0.219
   65   HG13  ILE  10          HG13      ILE  10 -10.869   4.237   1.850
   66   HG21  ILE  10          HG21      ILE  10  -7.840   2.737   3.269
   67   HG22  ILE  10          HG22      ILE  10  -8.953   4.099   3.388
   68   HG23  ILE  10          HG23      ILE  10  -7.576   4.179   2.288
   69   HD11  ILE  10          HD11      ILE  10  -8.925   5.687   1.531
   70   HD12  ILE  10          HD12      ILE  10 -10.087   5.963   0.234
   71   HD13  ILE  10          HD13      ILE  10  -8.644   4.997  -0.068
   72    H    LEU  11           H        LEU  11  -8.407   0.022   1.278
   73    HA   LEU  11           HA       LEU  11  -5.919  -0.195   2.689
   74    HB2  LEU  11           HB2      LEU  11  -8.155  -1.899   1.811
   75    HB3  LEU  11           HB3      LEU  11  -6.622  -2.758   1.952
   76    HG   LEU  11           HG       LEU  11  -6.477  -1.424   4.247
   77   HD11  LEU  11          HD11      LEU  11  -8.568  -0.160   3.835
   78   HD12  LEU  11          HD12      LEU  11  -8.700  -1.174   5.272
   79   HD13  LEU  11          HD13      LEU  11  -9.463  -1.678   3.764
   80   HD21  LEU  11          HD21      LEU  11  -8.161  -3.891   3.719
   81   HD22  LEU  11          HD22      LEU  11  -7.650  -3.382   5.328
   82   HD23  LEU  11          HD23      LEU  11  -6.445  -3.843   4.125
   83    H    SER  12           H        SER  12  -6.885  -1.006  -0.619
   84    HA   SER  12           HA       SER  12  -4.489  -2.302  -1.477
   85    HB2  SER  12           HB2      SER  12  -6.554  -0.603  -2.906
   86    HB3  SER  12           HB3      SER  12  -5.312  -1.525  -3.748
   87    HG   SER  12           HG       SER  12  -6.861  -2.992  -3.622
   88    H    SER  13           H        SER  13  -5.383   1.143  -1.315
   89    HA   SER  13           HA       SER  13  -3.107   2.236  -2.674
   90    HB2  SER  13           HB2      SER  13  -4.778   3.332  -0.381
   91    HB3  SER  13           HB3      SER  13  -3.763   4.292  -1.453
   92    HG   SER  13           HG       SER  13  -6.268   3.304  -1.837
   93    H    LEU  14           H        LEU  14  -3.691   1.415   0.751
   94    HA   LEU  14           HA       LEU  14  -1.198   2.367   1.810
   95    HB2  LEU  14           HB2      LEU  14  -3.400   0.504   2.586
   96    HB3  LEU  14           HB3      LEU  14  -1.884   0.356   3.477
   97    HG   LEU  14           HG       LEU  14  -2.241   3.090   3.395
   98   HD11  LEU  14          HD11      LEU  14  -4.443   3.132   2.556
   99   HD12  LEU  14          HD12      LEU  14  -4.673   3.236   4.300
  100   HD13  LEU  14          HD13      LEU  14  -4.916   1.700   3.470
  101   HD21  LEU  14          HD21      LEU  14  -1.550   1.934   5.381
  102   HD22  LEU  14          HD22      LEU  14  -3.056   1.019   5.450
  103   HD23  LEU  14          HD23      LEU  14  -3.060   2.749   5.787
  104    H    THR  15           H        THR  15  -2.173  -0.773   0.414
  105    HA   THR  15           HA       THR  15   0.195  -2.261   0.991
  106    HB   THR  15           HB       THR  15  -1.602  -2.406  -1.458
  107    HG1  THR  15           HG1      THR  15  -3.084  -3.186  -0.194
  108   HG21  THR  15          HG21      THR  15  -0.993  -4.743  -1.515
  109   HG22  THR  15          HG22      THR  15  -0.109  -4.598   0.004
  110   HG23  THR  15          HG23      THR  15   0.495  -3.800  -1.448
  111    H    VAL  16           H        VAL  16  -0.637  -0.147  -1.775
  112    HA   VAL  16           HA       VAL  16   1.729  -0.557  -3.326
  113    HB   VAL  16           HB       VAL  16  -0.192   1.771  -2.980
  114   HG11  VAL  16          HG11      VAL  16   2.117   1.398  -4.894
  115   HG12  VAL  16          HG12      VAL  16   1.742   2.801  -3.893
  116   HG13  VAL  16          HG13      VAL  16   0.741   2.426  -5.295
  117   HG21  VAL  16          HG21      VAL  16   0.110  -0.426  -5.054
  118   HG22  VAL  16          HG22      VAL  16  -1.010   0.929  -5.203
  119   HG23  VAL  16          HG23      VAL  16  -1.209  -0.241  -3.898
  120    H    THR  17           H        THR  17   0.993   1.778  -0.716
  121    HA   THR  17           HA       THR  17   3.478   3.217  -0.796
  122    HB   THR  17           HB       THR  17   1.716   2.653   1.611
  123    HG1  THR  17           HG1      THR  17   1.384   4.510  -0.509
  124   HG21  THR  17          HG21      THR  17   2.396   4.942   2.255
  125   HG22  THR  17          HG22      THR  17   3.400   5.044   0.809
  126   HG23  THR  17          HG23      THR  17   3.792   3.880   2.076
  127    H    GLN  18           H        GLN  18   2.453   0.285   0.967
  128    HA   GLN  18           HA       GLN  18   4.762  -0.027   2.613
  129    HB2  GLN  18           HB2      GLN  18   2.508  -1.664   1.594
  130    HB3  GLN  18           HB3      GLN  18   3.908  -2.570   2.165
  131    HG2  GLN  18           HG2      GLN  18   3.647  -1.874   4.345
  132    HG3  GLN  18           HG3      GLN  18   2.952  -0.323   3.878
  133   HE21  GLN  18          HE21      GLN  18   0.738  -0.168   4.276
  134   HE22  GLN  18          HE22      GLN  18  -0.332  -1.484   4.347
  135    H    LEU  19           H        LEU  19   4.075  -1.163  -0.663
  136    HA   LEU  19           HA       LEU  19   6.410  -2.738  -1.103
  137    HB2  LEU  19           HB2      LEU  19   4.327  -1.349  -2.672
  138    HB3  LEU  19           HB3      LEU  19   5.850  -1.553  -3.535
  139    HG   LEU  19           HG       LEU  19   5.642  -4.020  -2.480
  140   HD11  LEU  19          HD11      LEU  19   3.269  -4.738  -2.625
  141   HD12  LEU  19          HD12      LEU  19   2.790  -3.059  -2.869
  142   HD13  LEU  19          HD13      LEU  19   3.519  -3.556  -1.341
  143   HD21  LEU  19          HD21      LEU  19   4.615  -4.699  -4.653
  144   HD22  LEU  19          HD22      LEU  19   5.922  -3.534  -4.860
  145   HD23  LEU  19          HD23      LEU  19   4.243  -3.006  -4.976
  146    H    LEU  20           H        LEU  20   5.841   0.765  -1.430
  147    HA   LEU  20           HA       LEU  20   8.418   1.456  -2.516
  148    HB2  LEU  20           HB2      LEU  20   6.017   2.708  -1.958
  149    HB3  LEU  20           HB3      LEU  20   7.086   3.407  -0.744
  150    HG   LEU  20           HG       LEU  20   7.141   4.775  -2.769
  151   HD11  LEU  20          HD11      LEU  20   9.476   4.960  -2.979
  152   HD12  LEU  20          HD12      LEU  20   9.724   3.224  -2.799
  153   HD13  LEU  20          HD13      LEU  20   9.276   4.200  -1.400
  154   HD21  LEU  20          HD21      LEU  20   6.518   2.814  -4.280
  155   HD22  LEU  20          HD22      LEU  20   8.220   2.352  -4.228
  156   HD23  LEU  20          HD23      LEU  20   7.749   3.907  -4.915
  157    H    ARG  21           H        ARG  21   7.166   1.211   0.831
  158    HA   ARG  21           HA       ARG  21   9.461   2.230   2.197
  159    HB2  ARG  21           HB2      ARG  21   7.044   1.554   2.970
  160    HB3  ARG  21           HB3      ARG  21   7.759  -0.039   3.224
  161    HG2  ARG  21           HG2      ARG  21   9.226   0.739   4.881
  162    HG3  ARG  21           HG3      ARG  21   9.104   2.413   4.340
  163    HD2  ARG  21           HD2      ARG  21   6.669   2.376   5.069
  164    HD3  ARG  21           HD3      ARG  21   7.002   0.805   5.827
  165    HE   ARG  21           HE       ARG  21   8.470   3.323   6.540
  166   HH11  ARG  21          HH21      ARG  21   9.772   0.768   7.374
  167   HH12  ARG  21          HH22      ARG  21   9.135   0.527   8.966
  168   HH21  ARG  21          HH11      ARG  21   6.519   2.778   8.542
  169   HH22  ARG  21          HH12      ARG  21   7.285   1.670   9.630
  170    H    ARG  22           H        ARG  22   8.625  -1.104   1.187
  171    HA   ARG  22           HA       ARG  22  10.926  -2.428   2.260
  172    HB2  ARG  22           HB2      ARG  22   8.665  -2.958   0.550
  173    HB3  ARG  22           HB3      ARG  22  10.110  -3.648  -0.187
  174    HG2  ARG  22           HG2      ARG  22   9.692  -5.397   1.210
  175    HG3  ARG  22           HG3      ARG  22  10.480  -4.378   2.414
  176    HD2  ARG  22           HD2      ARG  22   8.138  -3.386   2.865
  177    HD3  ARG  22           HD3      ARG  22   7.515  -4.783   1.964
  178    HE   ARG  22           HE       ARG  22   9.192  -4.989   4.438
  179   HH11  ARG  22          HH11      ARG  22   9.235  -7.367   2.577
  180   HH12  ARG  22          HH12      ARG  22   7.965  -8.349   3.228
  181   HH21  ARG  22          HH21      ARG  22   6.573  -5.770   5.097
  182   HH22  ARG  22          HH22      ARG  22   6.453  -7.441   4.660
  183    H    LEU  23           H        LEU  23  10.359  -0.822  -0.876
  184    HA   LEU  23           HA       LEU  23  12.794  -1.514  -2.188
  185    HB2  LEU  23           HB2      LEU  23  10.726  -0.410  -3.131
  186    HB3  LEU  23           HB3      LEU  23  11.223   1.083  -2.337
  187    HG   LEU  23           HG       LEU  23  13.405  -0.092  -3.875
  188   HD11  LEU  23          HD11      LEU  23  10.924   0.765  -5.398
  189   HD12  LEU  23          HD12      LEU  23  11.484  -0.900  -5.252
  190   HD13  LEU  23          HD13      LEU  23  12.471   0.290  -6.098
  191   HD21  LEU  23          HD21      LEU  23  11.929   2.554  -4.084
  192   HD22  LEU  23          HD22      LEU  23  13.522   2.197  -4.752
  193   HD23  LEU  23          HD23      LEU  23  13.288   2.237  -3.004
  194    H    HIS  24           H        HIS  24  12.010   1.232  -0.029
  195    HA   HIS  24           HA       HIS  24  14.581   2.520  -0.169
  196    HB2  HIS  24           HB2      HIS  24  12.160   3.165   0.790
  197    HB3  HIS  24           HB3      HIS  24  12.893   2.621   2.299
  198    HD1  HIS  24           HD1      HIS  24  15.509   3.710   2.572
  199    HD2  HIS  24           HD2      HIS  24  12.682   5.830   0.357
  200    HE1  HIS  24           HE1      HIS  24  16.329   6.103   2.465
  201    H    GLN  25           H        GLN  25  13.239   0.035   2.016
  202    HA   GLN  25           HA       GLN  25  15.401  -0.074   3.890
  203    HB2  GLN  25           HB2      GLN  25  13.100  -1.731   3.022
  204    HB3  GLN  25           HB3      GLN  25  14.401  -2.619   3.815
  205    HG2  GLN  25           HG2      GLN  25  13.419  -0.056   5.034
  206    HG3  GLN  25           HG3      GLN  25  12.487  -1.535   5.265
  207   HE21  GLN  25          HE21      GLN  25  13.638  -3.391   6.332
  208   HE22  GLN  25          HE22      GLN  25  14.962  -3.078   7.346
  209    H    TRP  26           H        TRP  26  14.916  -1.646   0.738
  210    HA   TRP  26           HA       TRP  26  17.206  -3.413   0.890
  211    HB2  TRP  26           HB2      TRP  26  15.092  -3.406  -0.636
  212    HB3  TRP  26           HB3      TRP  26  15.993  -2.260  -1.628
  213    HD1  TRP  26           HD1      TRP  26  18.509  -3.149  -2.426
  214    HE1  TRP  26           HE1      TRP  26  19.203  -5.515  -3.176
  215    HE3  TRP  26           HE3      TRP  26  14.671  -5.869  -0.435
  216    HZ2  TRP  26           HZ2      TRP  26  18.256  -8.206  -2.963
  217    HZ3  TRP  26           HZ3      TRP  26  14.592  -8.329  -0.724
  218    HH2  TRP  26           HH2      TRP  26  16.378  -9.500  -1.985
  219    H    ILE  27           H        ILE  27  16.714  -0.082  -0.247
  220    HA   ILE  27           HA       ILE  27  19.391   0.170  -1.406
  221    HB   ILE  27           HB       ILE  27  17.182   2.126  -0.681
  222   HG12  ILE  27          HG12      ILE  27  18.058   1.370  -3.457
  223   HG13  ILE  27          HG13      ILE  27  16.990   0.289  -2.562
  224   HG21  ILE  27          HG21      ILE  27  19.194   3.416  -0.713
  225   HG22  ILE  27          HG22      ILE  27  18.463   3.638  -2.302
  226   HG23  ILE  27          HG23      ILE  27  19.823   2.533  -2.104
  227   HD11  ILE  27          HD11      ILE  27  15.404   1.630  -3.567
  228   HD12  ILE  27          HD12      ILE  27  16.464   3.039  -3.604
  229   HD13  ILE  27          HD13      ILE  27  15.678   2.565  -2.097
  230    H    SER  28           H        SER  28  17.771   1.469   1.523
  231    HA   SER  28           HA       SER  28  18.638   2.289   3.545
  232    HB2  SER  28           HB2      SER  28  20.126   0.795   4.511
  233    HB3  SER  28           HB3      SER  28  19.577  -0.165   3.144
  234    HG   SER  28           HG       SER  28  21.443   0.690   2.005
  Start of MODEL   26
    1    H1   SER   1           H1       SER   1 -21.814   5.825  -2.239
    2    H2   SER   1           H2       SER   1 -22.561   5.485  -0.751
    3    H3   SER   1           H3       SER   1 -23.484   6.063  -2.056
    4    HA   SER   1           HA       SER   1 -23.690   3.602  -1.618
    5    HB2  SER   1           HB2      SER   1 -22.795   4.872  -4.212
    6    HB3  SER   1           HB3      SER   1 -23.356   3.203  -4.151
    7    HG   SER   1           HG       SER   1 -25.199   4.266  -4.447
    8    H    ASP   2           H        ASP   2 -22.594   1.576  -2.675
    9    HA   ASP   2           HA       ASP   2 -20.843   0.035  -2.194
   10    HB2  ASP   2           HB2      ASP   2 -18.978   0.554  -3.843
   11    HB3  ASP   2           HB3      ASP   2 -20.604   0.564  -4.516
   12    H    ALA   3           H        ALA   3 -20.852   1.521   0.075
   13    HA   ALA   3           HA       ALA   3 -18.410   2.961   0.643
   14    HB1  ALA   3           HB1      ALA   3 -20.454   3.250   1.935
   15    HB2  ALA   3           HB2      ALA   3 -19.207   2.615   3.007
   16    HB3  ALA   3           HB3      ALA   3 -20.458   1.544   2.379
   17    H    ALA   4           H        ALA   4 -19.348  -0.456   0.893
   18    HA   ALA   4           HA       ALA   4 -17.135  -1.376   2.475
   19    HB1  ALA   4           HB1      ALA   4 -17.809  -3.581   1.485
   20    HB2  ALA   4           HB2      ALA   4 -18.867  -2.716   0.372
   21    HB3  ALA   4           HB3      ALA   4 -19.180  -2.663   2.107
   22    H    ALA   5           H        ALA   5 -17.607  -1.247  -1.084
   23    HA   ALA   5           HA       ALA   5 -15.077  -2.364  -1.815
   24    HB1  ALA   5           HB1      ALA   5 -17.234  -1.814  -3.180
   25    HB2  ALA   5           HB2      ALA   5 -15.675  -1.629  -3.984
   26    HB3  ALA   5           HB3      ALA   5 -16.520  -0.211  -3.364
   27    H    ARG   6           H        ARG   6 -16.062   0.996  -1.112
   28    HA   ARG   6           HA       ARG   6 -13.614   2.272  -1.857
   29    HB2  ARG   6           HB2      ARG   6 -16.109   2.944  -0.740
   30    HB3  ARG   6           HB3      ARG   6 -14.923   3.449   0.463
   31    HG2  ARG   6           HG2      ARG   6 -13.823   4.247  -1.989
   32    HG3  ARG   6           HG3      ARG   6 -15.538   4.637  -2.121
   33    HD2  ARG   6           HD2      ARG   6 -15.375   5.779   0.131
   34    HD3  ARG   6           HD3      ARG   6 -13.618   5.549   0.048
   35    HE   ARG   6           HE       ARG   6 -13.997   6.702  -2.337
   36   HH11  ARG   6          HH11      ARG   6 -16.714   7.656  -1.763
   37   HH12  ARG   6          HH12      ARG   6 -16.449   9.206  -1.040
   38   HH21  ARG   6          HH21      ARG   6 -13.100   8.591  -0.332
   39   HH22  ARG   6          HH22      ARG   6 -14.393   9.739  -0.226
   40    H    VAL   7           H        VAL   7 -14.641   0.670   1.104
   41    HA   VAL   7           HA       VAL   7 -12.390   1.376   2.755
   42    HB   VAL   7           HB       VAL   7 -14.245  -1.038   2.721
   43   HG11  VAL   7          HG11      VAL   7 -12.344  -1.643   4.046
   44   HG12  VAL   7          HG12      VAL   7 -13.590  -1.135   5.186
   45   HG13  VAL   7          HG13      VAL   7 -12.264  -0.042   4.783
   46   HG21  VAL   7          HG21      VAL   7 -14.823   1.633   3.206
   47   HG22  VAL   7          HG22      VAL   7 -14.550   0.987   4.824
   48   HG23  VAL   7          HG23      VAL   7 -15.772   0.261   3.780
   49    H    THR   8           H        THR   8 -13.024  -1.305   0.485
   50    HA   THR   8           HA       THR   8 -10.567  -2.734   0.959
   51    HB   THR   8           HB       THR   8 -12.192  -2.625  -1.593
   52    HG1  THR   8           HG1      THR   8 -12.699  -4.035   0.817
   53   HG21  THR   8          HG21      THR   8 -11.528  -4.990  -1.763
   54   HG22  THR   8          HG22      THR   8 -10.644  -4.855  -0.243
   55   HG23  THR   8          HG23      THR   8 -10.111  -3.947  -1.658
   56    H    ALA   9           H        ALA   9 -11.492  -0.126  -1.234
   57    HA   ALA   9           HA       ALA   9  -9.116  -0.089  -2.841
   58    HB1  ALA   9           HB1      ALA   9 -10.020   1.934  -3.672
   59    HB2  ALA   9           HB2      ALA   9 -10.750   2.338  -2.119
   60    HB3  ALA   9           HB3      ALA   9 -11.444   1.056  -3.112
   61    H    ILE  10           H        ILE  10  -9.959   1.514   0.190
   62    HA   ILE  10           HA       ILE  10  -7.659   3.201   0.452
   63    HB   ILE  10           HB       ILE  10  -9.465   1.790   2.451
   64   HG12  ILE  10          HG12      ILE  10  -9.380   4.732   1.780
   65   HG13  ILE  10          HG13      ILE  10 -10.310   3.606   0.792
   66   HG21  ILE  10          HG21      ILE  10  -8.576   3.719   3.969
   67   HG22  ILE  10          HG22      ILE  10  -7.206   3.743   2.857
   68   HG23  ILE  10          HG23      ILE  10  -7.580   2.278   3.766
   69   HD11  ILE  10          HD11      ILE  10 -11.331   2.804   3.037
   70   HD12  ILE  10          HD12      ILE  10 -11.875   4.352   2.390
   71   HD13  ILE  10          HD13      ILE  10 -10.692   4.310   3.698
   72    H    LEU  11           H        LEU  11  -8.266  -0.181   1.386
   73    HA   LEU  11           HA       LEU  11  -5.720  -0.672   2.636
   74    HB2  LEU  11           HB2      LEU  11  -8.131  -1.971   2.322
   75    HB3  LEU  11           HB3      LEU  11  -7.067  -2.918   1.283
   76    HG   LEU  11           HG       LEU  11  -7.073  -3.836   3.562
   77   HD11  LEU  11          HD11      LEU  11  -4.724  -4.020   3.840
   78   HD12  LEU  11          HD12      LEU  11  -4.437  -2.408   3.183
   79   HD13  LEU  11          HD13      LEU  11  -4.945  -3.719   2.117
   80   HD21  LEU  11          HD21      LEU  11  -6.384  -2.550   5.469
   81   HD22  LEU  11          HD22      LEU  11  -7.604  -1.590   4.633
   82   HD23  LEU  11          HD23      LEU  11  -5.895  -1.192   4.455
   83    H    SER  12           H        SER  12  -6.931  -1.106  -0.663
   84    HA   SER  12           HA       SER  12  -4.679  -2.426  -1.810
   85    HB2  SER  12           HB2      SER  12  -6.843  -0.579  -2.814
   86    HB3  SER  12           HB3      SER  12  -5.601  -1.175  -3.911
   87    HG   SER  12           HG       SER  12  -7.637  -2.544  -2.567
   88    H    SER  13           H        SER  13  -5.385   1.056  -1.421
   89    HA   SER  13           HA       SER  13  -3.058   2.076  -2.752
   90    HB2  SER  13           HB2      SER  13  -4.857   3.093  -0.534
   91    HB3  SER  13           HB3      SER  13  -3.593   4.084  -1.256
   92    HG   SER  13           HG       SER  13  -6.043   3.348  -2.235
   93    H    LEU  14           H        LEU  14  -3.666   1.156   0.643
   94    HA   LEU  14           HA       LEU  14  -1.169   1.995   1.755
   95    HB2  LEU  14           HB2      LEU  14  -3.302  -0.028   2.404
   96    HB3  LEU  14           HB3      LEU  14  -1.825   0.004   3.367
   97    HG   LEU  14           HG       LEU  14  -3.380   2.532   2.835
   98   HD11  LEU  14          HD11      LEU  14  -3.759   0.725   5.235
   99   HD12  LEU  14          HD12      LEU  14  -4.860   0.740   3.857
  100   HD13  LEU  14          HD13      LEU  14  -4.658   2.190   4.841
  101   HD21  LEU  14          HD21      LEU  14  -1.088   2.711   3.735
  102   HD22  LEU  14          HD22      LEU  14  -1.519   1.624   5.056
  103   HD23  LEU  14          HD23      LEU  14  -2.272   3.214   4.941
  104    H    THR  15           H        THR  15  -2.174  -1.108   0.281
  105    HA   THR  15           HA       THR  15   0.179  -2.627   0.727
  106    HB   THR  15           HB       THR  15  -1.653  -2.582  -1.701
  107    HG1  THR  15           HG1      THR  15  -3.094  -3.429  -0.443
  108   HG21  THR  15          HG21      THR  15   0.219  -3.993  -2.161
  109   HG22  THR  15          HG22      THR  15  -1.092  -5.066  -1.671
  110   HG23  THR  15          HG23      THR  15   0.196  -4.670  -0.533
  111    H    VAL  16           H        VAL  16  -0.609  -0.345  -1.909
  112    HA   VAL  16           HA       VAL  16   1.801  -0.708  -3.435
  113    HB   VAL  16           HB       VAL  16  -0.095   1.650  -3.117
  114   HG11  VAL  16          HG11      VAL  16   1.838   2.536  -4.163
  115   HG12  VAL  16          HG12      VAL  16   0.769   2.125  -5.504
  116   HG13  VAL  16          HG13      VAL  16   2.114   1.063  -5.091
  117   HG21  VAL  16          HG21      VAL  16  -0.703   0.569  -5.504
  118   HG22  VAL  16          HG22      VAL  16  -1.465   0.025  -4.011
  119   HG23  VAL  16          HG23      VAL  16  -0.118  -0.884  -4.695
  120    H    THR  17           H        THR  17   0.919   1.619  -0.855
  121    HA   THR  17           HA       THR  17   3.333   3.142  -0.839
  122    HB   THR  17           HB       THR  17   1.561   2.397   1.514
  123    HG1  THR  17           HG1      THR  17   0.059   3.394   0.468
  124   HG21  THR  17          HG21      THR  17   3.250   4.837   0.892
  125   HG22  THR  17          HG22      THR  17   3.570   3.635   2.142
  126   HG23  THR  17          HG23      THR  17   2.164   4.691   2.274
  127    H    GLN  18           H        GLN  18   2.461   0.110   0.837
  128    HA   GLN  18           HA       GLN  18   4.805  -0.139   2.452
  129    HB2  GLN  18           HB2      GLN  18   2.602  -1.842   1.429
  130    HB3  GLN  18           HB3      GLN  18   4.054  -2.707   1.934
  131    HG2  GLN  18           HG2      GLN  18   3.865  -2.018   4.146
  132    HG3  GLN  18           HG3      GLN  18   2.956  -0.566   3.724
  133   HE21  GLN  18          HE21      GLN  18   0.668  -1.056   2.771
  134   HE22  GLN  18          HE22      GLN  18  -0.184  -2.350   3.467
  135    H    LEU  19           H        LEU  19   4.113  -1.218  -0.844
  136    HA   LEU  19           HA       LEU  19   6.481  -2.697  -1.380
  137    HB2  LEU  19           HB2      LEU  19   4.580  -1.013  -3.013
  138    HB3  LEU  19           HB3      LEU  19   5.970  -1.779  -3.779
  139    HG   LEU  19           HG       LEU  19   4.241  -3.462  -2.009
  140   HD11  LEU  19          HD11      LEU  19   2.526  -2.415  -3.296
  141   HD12  LEU  19          HD12      LEU  19   2.844  -3.953  -4.097
  142   HD13  LEU  19          HD13      LEU  19   3.500  -2.459  -4.766
  143   HD21  LEU  19          HD21      LEU  19   6.072  -4.638  -2.895
  144   HD22  LEU  19          HD22      LEU  19   5.989  -3.793  -4.441
  145   HD23  LEU  19          HD23      LEU  19   4.790  -5.023  -4.042
  146    H    LEU  20           H        LEU  20   5.819   0.800  -1.641
  147    HA   LEU  20           HA       LEU  20   8.397   1.576  -2.666
  148    HB2  LEU  20           HB2      LEU  20   6.149   2.932  -1.162
  149    HB3  LEU  20           HB3      LEU  20   7.604   3.816  -1.619
  150    HG   LEU  20           HG       LEU  20   6.589   2.257  -3.855
  151   HD11  LEU  20          HD11      LEU  20   4.747   4.493  -3.069
  152   HD12  LEU  20          HD12      LEU  20   4.480   2.885  -2.397
  153   HD13  LEU  20          HD13      LEU  20   4.449   3.127  -4.143
  154   HD21  LEU  20          HD21      LEU  20   7.136   5.182  -3.286
  155   HD22  LEU  20          HD22      LEU  20   6.586   4.607  -4.860
  156   HD23  LEU  20          HD23      LEU  20   8.131   4.058  -4.210
  157    H    ARG  21           H        ARG  21   7.082   1.276   0.651
  158    HA   ARG  21           HA       ARG  21   9.333   2.351   2.057
  159    HB2  ARG  21           HB2      ARG  21   6.851   1.491   2.695
  160    HB3  ARG  21           HB3      ARG  21   7.780   0.084   3.217
  161    HG2  ARG  21           HG2      ARG  21   9.281   1.658   4.502
  162    HG3  ARG  21           HG3      ARG  21   8.150   2.955   4.114
  163    HD2  ARG  21           HD2      ARG  21   7.328   2.254   6.193
  164    HD3  ARG  21           HD3      ARG  21   6.363   1.243   5.102
  165    HE   ARG  21           HE       ARG  21   8.941   0.047   5.817
  166   HH11  ARG  21          HH21      ARG  21   6.143  -1.215   5.267
  167   HH12  ARG  21          HH22      ARG  21   5.807  -1.901   6.822
  168   HH21  ARG  21          HH11      ARG  21   8.306  -0.110   8.441
  169   HH22  ARG  21          HH12      ARG  21   7.039  -1.276   8.623
  170    H    ARG  22           H        ARG  22   8.552  -1.007   1.086
  171    HA   ARG  22           HA       ARG  22  10.814  -2.298   2.257
  172    HB2  ARG  22           HB2      ARG  22   8.663  -2.843   0.376
  173    HB3  ARG  22           HB3      ARG  22  10.158  -3.615  -0.152
  174    HG2  ARG  22           HG2      ARG  22   9.383  -5.253   1.277
  175    HG3  ARG  22           HG3      ARG  22  10.299  -4.281   2.428
  176    HD2  ARG  22           HD2      ARG  22   8.087  -2.971   2.793
  177    HD3  ARG  22           HD3      ARG  22   7.306  -4.355   2.003
  178    HE   ARG  22           HE       ARG  22   9.197  -4.911   4.236
  179   HH11  ARG  22          HH11      ARG  22   6.327  -3.725   4.784
  180   HH12  ARG  22          HH12      ARG  22   5.498  -5.183   5.216
  181   HH21  ARG  22          HH21      ARG  22   7.988  -7.275   3.994
  182   HH22  ARG  22          HH22      ARG  22   6.440  -7.197   4.765
  183    H    LEU  23           H        LEU  23  10.394  -0.720  -0.919
  184    HA   LEU  23           HA       LEU  23  12.908  -1.422  -2.084
  185    HB2  LEU  23           HB2      LEU  23  10.884  -0.349  -3.164
  186    HB3  LEU  23           HB3      LEU  23  11.338   1.163  -2.378
  187    HG   LEU  23           HG       LEU  23  13.596  -0.058  -3.768
  188   HD11  LEU  23          HD11      LEU  23  12.127  -0.904  -5.406
  189   HD12  LEU  23          HD12      LEU  23  12.592   0.670  -6.052
  190   HD13  LEU  23          HD13      LEU  23  11.030   0.469  -5.261
  191   HD21  LEU  23          HD21      LEU  23  12.154   2.602  -4.032
  192   HD22  LEU  23          HD22      LEU  23  13.739   2.229  -4.711
  193   HD23  LEU  23          HD23      LEU  23  13.517   2.272  -2.962
  194    H    HIS  24           H        HIS  24  11.956   1.333  -0.012
  195    HA   HIS  24           HA       HIS  24  14.515   2.658   0.010
  196    HB2  HIS  24           HB2      HIS  24  12.215   3.534   0.686
  197    HB3  HIS  24           HB3      HIS  24  12.389   2.610   2.177
  198    HD1  HIS  24           HD1      HIS  24  13.356   5.782   0.590
  199    HD2  HIS  24           HD2      HIS  24  14.705   3.475   3.791
  200    HE1  HIS  24           HE1      HIS  24  14.860   7.281   1.971
  201    H    GLN  25           H        GLN  25  13.024   0.190   2.106
  202    HA   GLN  25           HA       GLN  25  15.070   0.033   4.100
  203    HB2  GLN  25           HB2      GLN  25  12.901  -1.741   3.005
  204    HB3  GLN  25           HB3      GLN  25  14.047  -2.413   4.165
  205    HG2  GLN  25           HG2      GLN  25  13.230  -1.168   5.899
  206    HG3  GLN  25           HG3      GLN  25  12.922   0.236   4.879
  207   HE21  GLN  25          HE21      GLN  25  11.663  -3.169   4.847
  208   HE22  GLN  25          HE22      GLN  25  10.031  -2.706   4.798
  209    H    TRP  26           H        TRP  26  14.764  -1.443   0.887
  210    HA   TRP  26           HA       TRP  26  16.956  -3.317   1.132
  211    HB2  TRP  26           HB2      TRP  26  15.368  -2.030  -1.084
  212    HB3  TRP  26           HB3      TRP  26  16.768  -3.025  -1.477
  213    HD1  TRP  26           HD1      TRP  26  14.739  -4.015   1.561
  214    HE1  TRP  26           HE1      TRP  26  13.452  -6.188   1.052
  215    HE3  TRP  26           HE3      TRP  26  15.592  -4.395  -3.461
  216    HZ2  TRP  26           HZ2      TRP  26  12.858  -7.865  -1.185
  217    HZ3  TRP  26           HZ3      TRP  26  14.654  -6.290  -4.754
  218    HH2  TRP  26           HH2      TRP  26  13.289  -8.024  -3.624
  219    H    ILE  27           H        ILE  27  16.715   0.087   0.165
  220    HA   ILE  27           HA       ILE  27  19.479   0.244  -0.804
  221    HB   ILE  27           HB       ILE  27  17.339   2.304  -0.169
  222   HG12  ILE  27          HG12      ILE  27  18.269   1.574  -2.925
  223   HG13  ILE  27          HG13      ILE  27  17.165   0.478  -2.094
  224   HG21  ILE  27          HG21      ILE  27  19.465   3.427  -0.093
  225   HG22  ILE  27          HG22      ILE  27  18.765   3.769  -1.676
  226   HG23  ILE  27          HG23      ILE  27  20.040   2.561  -1.518
  227   HD11  ILE  27          HD11      ILE  27  16.716   3.346  -2.896
  228   HD12  ILE  27          HD12      ILE  27  15.765   2.613  -1.604
  229   HD13  ILE  27          HD13      ILE  27  15.712   1.936  -3.232
  230    H    SER  28           H        SER  28  17.705   1.416   2.086
  231    HA   SER  28           HA       SER  28  18.481   2.126   4.194
  232    HB2  SER  28           HB2      SER  28  20.511   0.120   3.222
  233    HB3  SER  28           HB3      SER  28  20.743   0.925   4.770
  234    HG   SER  28           HG       SER  28  19.535  -1.087   4.841
  Start of MODEL   27
    1    H1   SER   1           H1       SER   1 -22.491   4.834  -4.270
    2    H2   SER   1           H2       SER   1 -24.048   5.408  -3.905
    3    H3   SER   1           H3       SER   1 -23.802   3.757  -4.230
    4    HA   SER   1           HA       SER   1 -22.630   5.205  -1.904
    5    HB2  SER   1           HB2      SER   1 -25.046   3.384  -2.189
    6    HB3  SER   1           HB3      SER   1 -24.422   3.997  -0.660
    7    HG   SER   1           HG       SER   1 -26.055   5.356  -1.358
    8    H    ASP   2           H        ASP   2 -20.610   4.050  -2.543
    9    HA   ASP   2           HA       ASP   2 -20.742   1.101  -1.995
   10    HB2  ASP   2           HB2      ASP   2 -19.279   2.837  -3.937
   11    HB3  ASP   2           HB3      ASP   2 -18.426   1.417  -3.330
   12    H    ALA   3           H        ALA   3 -20.639   2.257   0.325
   13    HA   ALA   3           HA       ALA   3 -18.194   3.400   1.277
   14    HB1  ALA   3           HB1      ALA   3 -20.266   1.696   2.706
   15    HB2  ALA   3           HB2      ALA   3 -20.400   3.432   2.426
   16    HB3  ALA   3           HB3      ALA   3 -19.133   2.804   3.480
   17    H    ALA   4           H        ALA   4 -19.324   0.004   1.190
   18    HA   ALA   4           HA       ALA   4 -17.088  -1.186   2.518
   19    HB1  ALA   4           HB1      ALA   4 -19.280  -2.259   2.043
   20    HB2  ALA   4           HB2      ALA   4 -17.940  -3.239   1.447
   21    HB3  ALA   4           HB3      ALA   4 -18.888  -2.267   0.323
   22    H    ALA   5           H        ALA   5 -17.655  -0.421  -0.929
   23    HA   ALA   5           HA       ALA   5 -15.277  -1.665  -1.959
   24    HB1  ALA   5           HB1      ALA   5 -16.513   0.829  -3.113
   25    HB2  ALA   5           HB2      ALA   5 -17.443  -0.670  -3.086
   26    HB3  ALA   5           HB3      ALA   5 -15.911  -0.597  -3.957
   27    H    ARG   6           H        ARG   6 -15.928   1.645  -0.759
   28    HA   ARG   6           HA       ARG   6 -13.376   2.773  -1.378
   29    HB2  ARG   6           HB2      ARG   6 -15.782   3.456   0.008
   30    HB3  ARG   6           HB3      ARG   6 -14.431   3.816   1.083
   31    HG2  ARG   6           HG2      ARG   6 -14.700   5.794  -0.189
   32    HG3  ARG   6           HG3      ARG   6 -13.349   4.965  -0.961
   33    HD2  ARG   6           HD2      ARG   6 -14.818   4.084  -2.703
   34    HD3  ARG   6           HD3      ARG   6 -16.238   4.774  -1.892
   35    HE   ARG   6           HE       ARG   6 -14.263   6.826  -2.327
   36   HH11  ARG   6          HH21      ARG   6 -17.263   6.970  -2.860
   37   HH12  ARG   6          HH22      ARG   6 -17.289   7.185  -4.579
   38   HH21  ARG   6          HH11      ARG   6 -13.987   6.183  -5.012
   39   HH22  ARG   6          HH12      ARG   6 -15.424   6.738  -5.804
   40    H    VAL   7           H        VAL   7 -14.516   0.869   1.353
   41    HA   VAL   7           HA       VAL   7 -12.203   1.124   3.041
   42    HB   VAL   7           HB       VAL   7 -14.252  -1.099   2.684
   43   HG11  VAL   7          HG11      VAL   7 -12.132  -0.605   4.779
   44   HG12  VAL   7          HG12      VAL   7 -12.467  -2.089   3.887
   45   HG13  VAL   7          HG13      VAL   7 -13.582  -1.543   5.139
   46   HG21  VAL   7          HG21      VAL   7 -15.657   0.134   3.978
   47   HG22  VAL   7          HG22      VAL   7 -14.629   1.500   3.546
   48   HG23  VAL   7          HG23      VAL   7 -14.358   0.638   5.059
   49    H    THR   8           H        THR   8 -13.070  -1.125   0.407
   50    HA   THR   8           HA       THR   8 -10.727  -2.798   0.629
   51    HB   THR   8           HB       THR   8 -12.481  -2.201  -1.774
   52    HG1  THR   8           HG1      THR   8 -13.977  -3.273  -0.784
   53   HG21  THR   8          HG21      THR   8 -10.379  -3.503  -2.188
   54   HG22  THR   8          HG22      THR   8 -11.848  -4.420  -2.520
   55   HG23  THR   8          HG23      THR   8 -10.949  -4.707  -1.030
   56    H    ALA   9           H        ALA   9 -11.485   0.141  -1.176
   57    HA   ALA   9           HA       ALA   9  -9.126   0.209  -2.816
   58    HB1  ALA   9           HB1      ALA   9 -10.794   1.648  -3.543
   59    HB2  ALA   9           HB2      ALA   9  -9.810   2.793  -2.633
   60    HB3  ALA   9           HB3      ALA   9 -11.255   2.095  -1.901
   61    H    ILE  10           H        ILE  10  -9.828   1.466   0.407
   62    HA   ILE  10           HA       ILE  10  -7.422   2.963   0.823
   63    HB   ILE  10           HB       ILE  10  -9.308   1.450   2.663
   64   HG12  ILE  10          HG12      ILE  10  -8.989   4.437   2.405
   65   HG13  ILE  10          HG13      ILE  10  -9.985   3.545   1.256
   66   HG21  ILE  10          HG21      ILE  10  -7.351   1.609   3.974
   67   HG22  ILE  10          HG22      ILE  10  -8.260   3.055   4.416
   68   HG23  ILE  10          HG23      ILE  10  -6.909   3.172   3.286
   69   HD11  ILE  10          HD11      ILE  10 -10.406   3.981   4.188
   70   HD12  ILE  10          HD12      ILE  10 -11.003   2.488   3.464
   71   HD13  ILE  10          HD13      ILE  10 -11.574   4.046   2.867
   72    H    LEU  11           H        LEU  11  -8.234  -0.463   1.350
   73    HA   LEU  11           HA       LEU  11  -5.707  -1.255   2.483
   74    HB2  LEU  11           HB2      LEU  11  -8.115  -2.368   2.323
   75    HB3  LEU  11           HB3      LEU  11  -7.439  -3.088   0.862
   76    HG   LEU  11           HG       LEU  11  -5.703  -3.191   3.267
   77   HD11  LEU  11          HD11      LEU  11  -7.864  -3.682   4.295
   78   HD12  LEU  11          HD12      LEU  11  -6.933  -5.173   4.150
   79   HD13  LEU  11          HD13      LEU  11  -8.239  -4.836   3.015
   80   HD21  LEU  11          HD21      LEU  11  -5.133  -4.217   1.066
   81   HD22  LEU  11          HD22      LEU  11  -6.549  -5.260   1.211
   82   HD23  LEU  11          HD23      LEU  11  -5.218  -5.415   2.357
   83    H    SER  12           H        SER  12  -6.990  -1.184  -0.812
   84    HA   SER  12           HA       SER  12  -4.858  -2.516  -2.164
   85    HB2  SER  12           HB2      SER  12  -6.931  -0.450  -2.887
   86    HB3  SER  12           HB3      SER  12  -5.749  -0.975  -4.082
   87    HG   SER  12           HG       SER  12  -7.819  -2.390  -2.836
   88    H    SER  13           H        SER  13  -5.340   0.976  -1.481
   89    HA   SER  13           HA       SER  13  -2.923   1.882  -2.745
   90    HB2  SER  13           HB2      SER  13  -3.440   3.948  -1.641
   91    HB3  SER  13           HB3      SER  13  -4.990   3.191  -1.990
   92    HG   SER  13           HG       SER  13  -5.291   2.832   0.091
   93    H    LEU  14           H        LEU  14  -3.626   0.686   0.525
   94    HA   LEU  14           HA       LEU  14  -1.161   1.382   1.798
   95    HB2  LEU  14           HB2      LEU  14  -3.549  -0.029   2.350
   96    HB3  LEU  14           HB3      LEU  14  -2.243  -1.173   2.653
   97    HG   LEU  14           HG       LEU  14  -2.059   1.638   3.711
   98   HD11  LEU  14          HD11      LEU  14  -3.291  -0.656   5.249
   99   HD12  LEU  14          HD12      LEU  14  -4.270   0.524   4.376
  100   HD13  LEU  14          HD13      LEU  14  -3.230   1.048   5.701
  101   HD21  LEU  14          HD21      LEU  14  -0.107   0.037   3.726
  102   HD22  LEU  14          HD22      LEU  14  -1.050  -1.015   4.781
  103   HD23  LEU  14          HD23      LEU  14  -0.585   0.596   5.328
  104    H    THR  15           H        THR  15  -2.133  -1.524  -0.045
  105    HA   THR  15           HA       THR  15   0.230  -3.075   0.280
  106    HB   THR  15           HB       THR  15  -1.485  -2.850  -2.217
  107    HG1  THR  15           HG1      THR  15  -3.081  -3.577  -1.085
  108   HG21  THR  15          HG21      THR  15  -0.482  -5.408  -1.036
  109   HG22  THR  15          HG22      THR  15   0.661  -4.386  -1.908
  110   HG23  THR  15          HG23      THR  15  -0.780  -4.993  -2.724
  111    H    VAL  16           H        VAL  16  -0.575  -0.550  -2.119
  112    HA   VAL  16           HA       VAL  16   1.846  -0.733  -3.666
  113    HB   VAL  16           HB       VAL  16  -0.062   1.577  -3.127
  114   HG11  VAL  16          HG11      VAL  16   0.750   2.293  -5.441
  115   HG12  VAL  16          HG12      VAL  16   2.061   1.131  -5.238
  116   HG13  VAL  16          HG13      VAL  16   1.908   2.493  -4.127
  117   HG21  VAL  16          HG21      VAL  16  -1.462   0.045  -4.125
  118   HG22  VAL  16          HG22      VAL  16  -0.134  -0.830  -4.885
  119   HG23  VAL  16          HG23      VAL  16  -0.709   0.683  -5.586
  120    H    THR  17           H        THR  17   0.923   1.304  -0.865
  121    HA   THR  17           HA       THR  17   3.318   2.855  -0.696
  122    HB   THR  17           HB       THR  17   1.482   1.873   1.520
  123    HG1  THR  17           HG1      THR  17   0.065   3.183   0.721
  124   HG21  THR  17          HG21      THR  17   2.252   3.695   2.803
  125   HG22  THR  17          HG22      THR  17   2.952   4.502   1.400
  126   HG23  THR  17          HG23      THR  17   3.722   3.060   2.063
  127    H    GLN  18           H        GLN  18   2.471  -0.333   0.676
  128    HA   GLN  18           HA       GLN  18   4.816  -0.705   2.271
  129    HB2  GLN  18           HB2      GLN  18   2.586  -2.283   1.163
  130    HB3  GLN  18           HB3      GLN  18   4.054  -3.221   1.434
  131    HG2  GLN  18           HG2      GLN  18   3.662  -1.498   3.690
  132    HG3  GLN  18           HG3      GLN  18   2.150  -2.349   3.371
  133   HE21  GLN  18          HE21      GLN  18   2.533  -4.842   2.889
  134   HE22  GLN  18          HE22      GLN  18   3.659  -5.615   3.896
  135    H    LEU  19           H        LEU  19   4.133  -1.433  -1.115
  136    HA   LEU  19           HA       LEU  19   6.526  -2.837  -1.782
  137    HB2  LEU  19           HB2      LEU  19   4.329  -2.360  -3.104
  138    HB3  LEU  19           HB3      LEU  19   5.118  -0.859  -3.588
  139    HG   LEU  19           HG       LEU  19   6.734  -3.340  -3.866
  140   HD11  LEU  19          HD11      LEU  19   5.628  -4.148  -5.796
  141   HD12  LEU  19          HD12      LEU  19   4.640  -2.695  -5.944
  142   HD13  LEU  19          HD13      LEU  19   4.324  -3.849  -4.648
  143   HD21  LEU  19          HD21      LEU  19   6.913  -1.976  -6.201
  144   HD22  LEU  19          HD22      LEU  19   7.883  -1.577  -4.784
  145   HD23  LEU  19          HD23      LEU  19   6.414  -0.666  -5.132
  146    H    LEU  20           H        LEU  20   5.761   0.655  -1.842
  147    HA   LEU  20           HA       LEU  20   8.351   1.556  -2.731
  148    HB2  LEU  20           HB2      LEU  20   5.807   2.625  -1.785
  149    HB3  LEU  20           HB3      LEU  20   7.163   3.554  -1.145
  150    HG   LEU  20           HG       LEU  20   7.040   2.814  -4.067
  151   HD11  LEU  20          HD11      LEU  20   5.820   5.248  -2.726
  152   HD12  LEU  20          HD12      LEU  20   4.938   3.974  -3.567
  153   HD13  LEU  20          HD13      LEU  20   6.014   5.043  -4.466
  154   HD21  LEU  20          HD21      LEU  20   8.373   4.987  -4.166
  155   HD22  LEU  20          HD22      LEU  20   9.172   3.648  -3.343
  156   HD23  LEU  20          HD23      LEU  20   8.420   4.938  -2.404
  157    H    ARG  21           H        ARG  21   6.916   1.034   0.505
  158    HA   ARG  21           HA       ARG  21   9.053   2.116   2.071
  159    HB2  ARG  21           HB2      ARG  21   6.844   0.111   2.436
  160    HB3  ARG  21           HB3      ARG  21   8.057   0.274   3.706
  161    HG2  ARG  21           HG2      ARG  21   6.518   2.619   2.554
  162    HG3  ARG  21           HG3      ARG  21   6.026   1.752   4.008
  163    HD2  ARG  21           HD2      ARG  21   8.799   2.950   3.731
  164    HD3  ARG  21           HD3      ARG  21   7.434   3.863   4.402
  165    HE   ARG  21           HE       ARG  21   8.390   1.259   5.544
  166   HH11  ARG  21          HH21      ARG  21   9.276   3.713   6.947
  167   HH12  ARG  21          HH22      ARG  21   8.044   3.939   8.143
  168   HH21  ARG  21          HH11      ARG  21   5.771   1.826   6.582
  169   HH22  ARG  21          HH12      ARG  21   6.054   2.866   7.936
  170    H    ARG  22           H        ARG  22   8.558  -1.128   0.669
  171    HA   ARG  22           HA       ARG  22  10.762  -2.461   1.921
  172    HB2  ARG  22           HB2      ARG  22   9.017  -2.779  -0.477
  173    HB3  ARG  22           HB3      ARG  22  10.531  -3.682  -0.494
  174    HG2  ARG  22           HG2      ARG  22   8.568  -3.742   1.816
  175    HG3  ARG  22           HG3      ARG  22   8.589  -4.939   0.521
  176    HD2  ARG  22           HD2      ARG  22  11.222  -4.963   1.227
  177    HD3  ARG  22           HD3      ARG  22  10.470  -4.592   2.791
  178    HE   ARG  22           HE       ARG  22  10.110  -7.079   1.256
  179   HH11  ARG  22          HH11      ARG  22  10.248  -6.152   4.341
  180   HH12  ARG  22          HH12      ARG  22   8.743  -6.827   4.869
  181   HH21  ARG  22          HH21      ARG  22   7.587  -7.442   1.649
  182   HH22  ARG  22          HH22      ARG  22   7.232  -7.561   3.340
  183    H    LEU  23           H        LEU  23  10.528  -0.606  -1.120
  184    HA   LEU  23           HA       LEU  23  13.211  -0.958  -2.041
  185    HB2  LEU  23           HB2      LEU  23  11.310  -0.041  -3.347
  186    HB3  LEU  23           HB3      LEU  23  11.289   1.385  -2.311
  187    HG   LEU  23           HG       LEU  23  13.941   0.812  -3.439
  188   HD11  LEU  23          HD11      LEU  23  11.625   1.505  -5.272
  189   HD12  LEU  23          HD12      LEU  23  12.620   0.051  -5.349
  190   HD13  LEU  23          HD13      LEU  23  13.328   1.624  -5.715
  191   HD21  LEU  23          HD21      LEU  23  12.989   2.911  -2.230
  192   HD22  LEU  23          HD22      LEU  23  12.259   3.294  -3.788
  193   HD23  LEU  23          HD23      LEU  23  14.012   3.164  -3.643
  194    H    HIS  24           H        HIS  24  11.753   1.470   0.139
  195    HA   HIS  24           HA       HIS  24  14.096   3.088   0.518
  196    HB2  HIS  24           HB2      HIS  24  11.488   3.262   1.173
  197    HB3  HIS  24           HB3      HIS  24  12.116   2.695   2.721
  198    HD1  HIS  24           HD1      HIS  24  14.456   4.138   3.436
  199    HD2  HIS  24           HD2      HIS  24  11.637   6.001   0.991
  200    HE1  HIS  24           HE1      HIS  24  14.889   6.626   3.609
  201    H    GLN  25           H        GLN  25  12.825   0.255   2.300
  202    HA   GLN  25           HA       GLN  25  14.726   0.202   4.426
  203    HB2  GLN  25           HB2      GLN  25  12.572  -1.142   4.067
  204    HB3  GLN  25           HB3      GLN  25  13.518  -2.193   3.014
  205    HG2  GLN  25           HG2      GLN  25  15.001  -1.808   5.429
  206    HG3  GLN  25           HG3      GLN  25  13.351  -2.250   5.867
  207   HE21  GLN  25          HE21      GLN  25  16.093  -3.318   3.792
  208   HE22  GLN  25          HE22      GLN  25  15.653  -4.957   3.799
  209    H    TRP  26           H        TRP  26  14.880  -1.089   1.107
  210    HA   TRP  26           HA       TRP  26  17.333  -2.555   1.357
  211    HB2  TRP  26           HB2      TRP  26  15.545  -2.533  -0.496
  212    HB3  TRP  26           HB3      TRP  26  16.338  -1.074  -1.091
  213    HD1  TRP  26           HD1      TRP  26  18.662  -1.315  -2.260
  214    HE1  TRP  26           HE1      TRP  26  20.034  -3.345  -3.065
  215    HE3  TRP  26           HE3      TRP  26  16.122  -5.079   0.076
  216    HZ2  TRP  26           HZ2      TRP  26  20.050  -6.190  -2.758
  217    HZ3  TRP  26           HZ3      TRP  26  16.836  -7.436  -0.196
  218    HH2  TRP  26           HH2      TRP  26  18.795  -7.996  -1.609
  219    H    ILE  27           H        ILE  27  16.632   0.865   0.710
  220    HA   ILE  27           HA       ILE  27  19.448   1.549   0.189
  221    HB   ILE  27           HB       ILE  27  16.946   3.215   0.659
  222   HG12  ILE  27          HG12      ILE  27  18.235   2.860  -2.019
  223   HG13  ILE  27          HG13      ILE  27  17.266   1.526  -1.391
  224   HG21  ILE  27          HG21      ILE  27  18.252   5.003  -0.496
  225   HG22  ILE  27          HG22      ILE  27  19.669   3.952  -0.457
  226   HG23  ILE  27          HG23      ILE  27  18.962   4.535   1.050
  227   HD11  ILE  27          HD11      ILE  27  15.658   2.785  -2.522
  228   HD12  ILE  27          HD12      ILE  27  16.408   4.320  -2.083
  229   HD13  ILE  27          HD13      ILE  27  15.506   3.404  -0.877
  230    H    SER  28           H        SER  28  17.064   2.004   2.816
  231    HA   SER  28           HA       SER  28  19.288   2.261   4.766
  232    HB2  SER  28           HB2      SER  28  18.002   4.341   5.659
  233    HB3  SER  28           HB3      SER  28  18.993   4.545   4.220
  234    HG   SER  28           HG       SER  28  17.196   4.568   2.979