*HEADER    RNA BINDING PROTEIN                     03-JUL-18   6DZ9              
*TITLE     SOLUTION STRUCTURE OF RBFOX2 RRM MIMETIC PEPTIDE CPFOX2               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CPFOX2;                                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   4 ORGANISM_TAXID: 36630                                                
*KEYWDS    PEPTIDOMIMETICS, PEPTIDE STRUCTURE, RNA RECOGNITION, RNA BINDING      
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    Y.-T.SUN,M.D.SHORTRIDGE,G.VARANI                                      
*REVDAT   1   15-MAY-19 6DZ9    0                                                
# Restraints file 1: rrm02_noe.tbl
!------------------------------------------------------------------------!
!NOE Table for RRM02 peptide !
!Updated 111716 YTS
!RRM02, 14mer GLY SER LYS ARG PHE ARG pro PRO ILE ILE PHE ASN GLU ARG
!Upper case L-Amino Acid
!Lower case D-Amino Acid
!
!! NOE binning !!
!strong     2.5 0.7 0.7
!medium     3.5 1.2 1.2
!weak       4.5 1.6 1.6
!very weak  5.0 2.0 2.0

!TOTAL NOES                    =
!long range          (j-i >6)  =
!short range    (2 > j-i < 5)  =
!sequential          (i to j)  =
!intraresidue        (i to i)  =

!------------------------------------------------------------------------!

!***Backbone***!

!HN-HA
assign  (residue  1   and  name  HA1)   (residue  1   and  name  HN)    3.5  1.2  1.2
assign  (residue  1   and  name  HA1)   (residue  2   and  name  HN)    3.5  1.2  1.2
assign  (residue  1   and  name  HA2)   (residue  1   and  name  HN)    3.5  1.2  1.2
assign  (residue  1   and  name  HA2)   (residue  2   and  name  HN)    3.5  1.2  1.2

assign  (residue  2   and  name  HA)    (residue  2   and  name  HN)    3.5  1.2  1.2
assign  (residue  2   and  name  HA)    (residue  3   and  name  HN)    2.5  0.7  0.7

assign  (residue  3   and  name  HA)    (residue  3   and  name  HN)    3.5  1.2  1.2
assign  (residue  4   and  name  HA)    (residue  4   and  name  HN)    3.5  1.2  1.2

!assign  (residue  5   and  name  HA)    (residue  10  and  name  HN)    4.5  1.6  1.6
assign  (residue  5   and  name  HA)    (residue  11  and  name  HN)    3.5  1.2  1.2
assign  (residue  5   and  name  HA)    (residue  5   and  name  HN)    3.5  1.2  1.2
assign  (residue  5   and  name  HA)    (residue  6   and  name  HN)    2.5  0.7  0.7
!assign  (residue  5   and  name  HA)    (residue  9   and  name  HN)    4.5  1.6  1.6

assign  (residue  6   and  name  HA)    (residue  6   and  name  HN)    3.5  1.2  1.2

assign  (residue  7   and  name  HA)    (residue  9   and  name  HN)    3.5  1.2  1.2

assign  (residue  8   and  name  HA)    (residue  9   and  name  HN)    3.5  1.2  1.2

assign  (residue  9   and  name  HA)    (residue  10  and  name  HN)    2.5  0.7  0.7
assign  (residue  9   and  name  HA)    (residue  9   and  name  HN)    3.5  1.2  1.2

assign  (residue  10  and  name  HA)    (residue  10  and  name  HN)    3.5  1.2  1.2
assign  (residue  10  and  name  HA)    (residue  11  and  name  HN)    2.5  0.7  0.7
assign  (residue  10  and  name  HA)    (residue  6   and  name  HN)    3.5  1.2  1.2

assign  (residue  11  and  name  HA)    (residue  11  and  name  HN)    3.5  1.2  1.2
assign  (residue  11  and  name  HA)    (residue  12  and  name  HN)    2.5  0.7  0.7

assign  (residue  12  and  name  HA)    (residue  12  and  name  HN)    4.5  1.6  1.6

assign  (residue  13  and  name  HA)    (residue  13  and  name  HN)    2.5  0.7  0.7
assign  (residue  13  and  name  HA)    (residue  14  and  name  HN)    3.5  1.2  1.2

assign  (residue  14  and  name  HA)    (residue  14  and  name  HN)    3.5  1.2  1.2
assign  (residue  14  and  name  HA)    (residue  1   and  name  HN)    3.5  1.2  1.2
assign  (residue  14  and  name  HA)    (residue  2   and  name  HN)    4.5  1.6  1.6

!HN-HN
assign  (residue  1   and  name  HN)    (residue  14  and  name  HN)    3.5  1.2  1.2
assign  (residue  1   and  name  HN)    (residue  2   and  name  HN)    3.5  1.2  1.2
assign  (residue  2   and  name  HN)    (residue  13  and  name  HN)    3.5  1.2  1.2
assign  (residue  2   and  name  HN)    (residue  3   and  name  HN)    4.5  1.6  1.6
assign  (residue  5   and  name  HN)    (residue  6   and  name  HN)    4.5  1.6  1.6
!assign  (residue  6   and  name  HN)    (residue  11  and  name  HN)    4.5  1.6  1.6
assign  (residue  6   and  name  HN)    (residue  9   and  name  HN)    3.5  1.2  1.2
assign  (residue  9   and  name  HN)    (residue  10  and  name  HN)    4.5  1.6  1.6
assign  (residue  10  and  name  HN)    (residue  11  and  name  HN)    4.5  1.6  1.6
!assign  (residue  11  and  name  HN)    (residue  13  and  name  HN)    3.5  1.2  1.2
assign  (residue  12  and  name  HN)    (residue  11  and  name  HN)    3.5  1.2  1.2
assign  (residue  13  and  name  HN)    (residue  14  and  name  HN)    4.5  1.6  1.6

!HA-HA
assign  (residue  10  and  name  HA)    (residue  9   and  name  HA)    4.5  1.6  1.6
assign  (residue  13  and  name  HA)    (residue  14  and  name  HA)    4.5  1.6  1.6


!***Sidechain***!
!SER 2
assign  (residue  2   and  name  HB#)    (residue  13  and  name  HN)    4.5  1.6  1.6
assign  (residue  2   and  name  HB#)    (residue  2   and  name  HN)    3.5  1.2  1.2
assign  (residue  2   and  name  HB#)    (residue  3   and  name  HN)    3.5  1.2  1.2

!LYS 3
assign  (residue  3   and  name  HB#)    (residue  3   and  name  HN)    3.5  1.2  1.2
assign  (residue  3   and  name  HE#)    (residue  3   and  name  HN)    3.5  1.2  1.2
assign  (residue  3   and  name  HN)    (residue  3   and  name  HD#)    4.5  1.6  1.6
assign  (residue  3   and  name  HN)    (residue  3   and  name  HG#)    4.5  1.6  1.6

!ARG 4
!assign  (residue  4   and  name  HA)    (residue  4   and  name  HE)    3.5  1.2  1.2
assign  (residue  4   and  name  HB1)   (residue  11  and  name  HD#)    3.5  1.2  1.2
assign  (residue  4   and  name  HB2)   (residue  11  and  name  HD#)    3.5  1.2  1.2
assign  (residue  4   and  name  HB2)   (residue  11  and  name  HB#)    3.5  1.2  1.2
assign  (residue  4   and  name  HD#)    (residue  4   and  name  HN)    4.5  1.6  1.6
!assign  (residue  4   and  name  HE)    (residue  10  and  name  HD#)    4.5  1.6  1.6
!assign  (residue  4   and  name  HE)    (residue  10  and  name  HG2#)   3.5  1.2  1.2
!assign  (residue  4   and  name  HE)    (residue  4   and  name  HB1)   4.5  1.6  1.6
!assign  (residue  4   and  name  HE)    (residue  4   and  name  HB2)   4.5  1.6  1.6
!assign  (residue  4   and  name  HE)    (residue  4   and  name  HD#)    3.5  1.2  1.2
assign  (residue  4   and  name  HG#)    (residue  11  and  name  HD#)    3.5  1.2  1.2
assign  (residue  4   and  name  HG#)    (residue  11  and  name  HB#)    3.5  1.2  1.2
assign  (residue  4   and  name  HG#)    (residue  4   and  name  HE)    4.5  1.6  1.6
assign  (residue  4   and  name  HN)    (residue  4   and  name  HB1)   3.5  1.2  1.2
assign  (residue  4   and  name  HN)    (residue  4   and  name  HB2)   3.5  1.2  1.2
assign  (residue  4   and  name  HN)    (residue  4   and  name  HG#)    3.5  1.2  1.2

!PHE 5
assign  (residue  5   and  name  HA)    (residue  11  and  name  HD#)    3.5  1.2  1.2
!assign  (residue  5   and  name  HA)    (residue  4   and  name  HE)    3.5  1.2  1.2
assign  (residue  5   and  name  HA)    (residue  5   and  name  HD#)    3.5  1.2  1.2
!assign  (residue  5   and  name  HB1)   (residue  4   and  name  HE)    3.5  1.2  1.2
assign  (residue  5   and  name  HB1)   (residue  5   and  name  HD#)    2.5  0.7  0.7
assign  (residue  5   and  name  HB1)   (residue  5   and  name  HN)    3.5  1.2  1.2
assign  (residue  5   and  name  HB1)   (residue  6   and  name  HN)    3.5  1.2  1.2
assign  (residue  5   and  name  HB1)   (residue  7   and  name  HD2)   4.5  1.6  1.6
!assign  (residue  5   and  name  HB2)   (residue  4   and  name  HE)    3.5  1.2  1.2
assign  (residue  5   and  name  HB2)   (residue  5   and  name  HD#)    3.5  1.2  1.2
assign  (residue  5   and  name  HB2)   (residue  7   and  name  HD2)   4.5  1.6  1.6
!assign  (residue  5   and  name  HN)    (residue  4   and  name  HE)    3.5  1.2  1.2
assign  (residue  5   and  name  HN)    (residue  5   and  name  HD#)    3.5  1.2  1.2
assign  (residue  5   and  name  HN)    (residue  5   and  name  HB2)   3.5  1.2  1.2
assign  (residue  5   and  name  HD#)    (residue  10  and  name  HD#)    4.5  1.6  1.6
assign  (residue  5   and  name  HD#)    (residue  10  and  name  HG2#)   3.5  1.2  1.2
assign  (residue  5   and  name  HD#)    (residue  7   and  name  HD2)   4.5  1.6  1.6

!ARG 6
assign  (residue  6   and  name  HA)    (residue  7   and  name  HB2)   4.5  1.6  1.6
assign  (residue  6   and  name  HA)    (residue  7   and  name  HD1)   3.5  1.2  1.2
assign  (residue  6   and  name  HA)    (residue  7   and  name  HD2)   3.5  1.2  1.2
assign  (residue  6   and  name  HB1)   (residue  11  and  name  HD#)    3.5  1.2  1.2
assign  (residue  6   and  name  HB1)   (residue  11  and  name  HB#)    4.5  1.6  1.6
assign  (residue  6   and  name  HB1)   (residue  6   and  name  HE)    4.5  1.6  1.6
assign  (residue  6   and  name  HB1)   (residue  9   and  name  HD#)    4.5  1.6  1.6
assign  (residue  6   and  name  HB2)   (residue  11  and  name  HD#)    3.5  1.2  1.2
assign  (residue  6   and  name  HD1)   (residue  6   and  name  HE)    3.5  1.2  1.2
assign  (residue  6   and  name  HD2)   (residue  6   and  name  HE)    3.5  1.2  1.2
assign  (residue  6   and  name  HG1)   (residue  6   and  name  HE)    4.5  1.6  1.6
assign  (residue  6   and  name  HG2)   (residue  11  and  name  HB#)    3.5  1.2  1.2
assign  (residue  6   and  name  HG2)   (residue  6   and  name  HE)    4.5  1.6  1.6
assign  (residue  6   and  name  HN)    (residue  11  and  name  HD#)    3.5  1.2  1.2
!assign  (residue  6   and  name  HN)    (residue  4   and  name  HE)    4.5  1.6  1.6
assign  (residue  6   and  name  HN)    (residue  5   and  name  HD#)    3.5  1.2  1.2
assign  (residue  6   and  name  HN)    (residue  5   and  name  HB2)   4.5  1.6  1.6
assign  (residue  6   and  name  HN)    (residue  6   and  name  HB1)   4.5  1.6  1.6
assign  (residue  6   and  name  HN)    (residue  6   and  name  HB2)   4.5  1.6  1.6
assign  (residue  6   and  name  HN)    (residue  6   and  name  HG1)   4.5  1.6  1.6
assign  (residue  6   and  name  HN)    (residue  6   and  name  HG2)   4.5  1.6  1.6
assign  (residue  6   and  name  HN)    (residue  7   and  name  HD2)   4.5  1.6  1.6
assign  (residue  6   and  name  HN)    (residue  9   and  name  HB#)    4.5  1.6  1.6
assign  (residue  6   and  name  HN)    (residue  9   and  name  HD#)    4.5  1.6  1.6

!pro 7
assign  (residue  7   and  name  HA)    (residue  7   and  name  HB1)   3.5  1.2  1.2
assign  (residue  7   and  name  HA)    (residue  7   and  name  HB2)   3.5  1.2  1.2
assign  (residue  7   and  name  HA)    (residue  7   and  name  HD1)   4.5  1.6  1.6
assign  (residue  7   and  name  HA)    (residue  7   and  name  HG1)   3.5  1.2  1.2
assign  (residue  7   and  name  HA)    (residue  7   and  name  HG2)   3.5  1.2  1.2
assign  (residue  7   and  name  HA)    (residue  8   and  name  HD1)   3.5  1.2  1.2
assign  (residue  7   and  name  HA)    (residue  8   and  name  HD2)   3.5  1.2  1.2
assign  (residue  7   and  name  HD1)   (residue  7   and  name  HB1)   4.5  1.6  1.6
assign  (residue  7   and  name  HD1)   (residue  7   and  name  HB2)   3.5  1.2  1.2
assign  (residue  7   and  name  HD2)   (residue  7   and  name  HB1)   4.5  1.6  1.6
assign  (residue  7   and  name  HD2)   (residue  7   and  name  HB2)   3.5  1.2  1.2
assign  (residue  7   and  name  HG1)   (residue  7   and  name  HD1)   3.5  1.2  1.2
assign  (residue  7   and  name  HG1)   (residue  7   and  name  HD2)   3.5  1.2  1.2
assign  (residue  7   and  name  HG2)   (residue  7   and  name  HD1)   3.5  1.2  1.2
assign  (residue  7   and  name  HG2)   (residue  7   and  name  HD2)   3.5  1.2  1.2

!PRO 8
assign  (residue  8   and  name  HA)    (residue  8   and  name  HB#)    3.5  1.2  1.2
assign  (residue  8   and  name  HA)    (residue  8   and  name  HD1)   4.5  1.6  1.6
assign  (residue  8   and  name  HA)    (residue  8   and  name  HD2)   4.5  1.6  1.6
assign  (residue  8   and  name  HD1)   (residue  8   and  name  HB#)    3.5  1.2  1.2
assign  (residue  8   and  name  HD1)   (residue  9   and  name  HN)    3.5  1.2  1.2
assign  (residue  8   and  name  HD2)   (residue  8   and  name  HB#)    3.5  1.2  1.2
assign  (residue  8   and  name  HD2)   (residue  9   and  name  HN)    4.5  1.6  1.6
assign  (residue  8   and  name  HG#)    (residue  8   and  name  HA)    4.5  1.6  1.6
assign  (residue  8   and  name  HG#)    (residue  8   and  name  HD1)   3.5  1.2  1.2
assign  (residue  8   and  name  HG#)    (residue  8   and  name  HD2)   3.5  1.2  1.2
assign  (residue  8   and  name  HG#)    (residue  9   and  name  HN)    3.5  1.2  1.2

!ILE 9
assign  (residue  9   and  name  HB#)    (residue  10  and  name  HN)    4.5  1.6  1.6
assign  (residue  9   and  name  HB#)    (residue  11  and  name  HD#)    3.5  1.2  1.2
assign  (residue  9   and  name  HD#)    (residue  11  and  name  HD#)    3.5  1.2  1.2
assign  (residue  9   and  name  HD#)    (residue  11  and  name  HB#)    3.5  1.2  1.2
assign  (residue  9   and  name  HG2#)   (residue  10  and  name  HN)    4.5  1.6  1.6
assign  (residue  9   and  name  HG2#)   (residue  11  and  name  HD#)    4.5  1.6  1.6
assign  (residue  9   and  name  HG2#)   (residue  8   and  name  HG#)    4.5  1.6  1.6
assign  (residue  9   and  name  HG2#)   (residue  9   and  name  HN)    4.5  1.6  1.6
assign  (residue  9   and  name  HN)    (residue  8   and  name  HB#)    4.5  1.6  1.6
assign  (residue  9   and  name  HN)    (residue  9   and  name  HB#)    3.5  1.2  1.2
assign  (residue  9   and  name  HN)    (residue  9   and  name  HD#)    3.5  1.2  1.2
assign  (residue  9   and  name  HN)    (residue  9   and  name  HG12)  3.5  1.2  1.2

!ILE 10
assign  (residue  10  and  name  HD#)    (residue  11  and  name  HB#)    4.5  1.6  1.6
assign  (residue  10  and  name  HD#)    (residue  11  and  name  HN)    3.5  1.2  1.2
assign  (residue  10  and  name  HG1#)   (residue  11  and  name  HN)    4.5  1.6  1.6
assign  (residue  10  and  name  HG2#)   (residue  11  and  name  HN)    4.5  1.6  1.6
assign  (residue  10  and  name  HN)    (residue  10  and  name  HB#)    3.5  1.2  1.2
assign  (residue  10  and  name  HN)    (residue  10  and  name  HD#)    4.5  1.6  1.6
assign  (residue  10  and  name  HN)    (residue  10  and  name  HG1#)   3.5  1.2  1.2
assign  (residue  10  and  name  HN)    (residue  10  and  name  HG2#)   3.5  1.2  1.2

!PHE 11
assign  (residue  11  and  name  HA)    (residue  10  and  name  HD#)    4.5  1.6  1.6
assign  (residue  11  and  name  HA)    (residue  11  and  name  HD#)    3.5  1.2  1.2
assign  (residue  11  and  name  HB#)    (residue  10  and  name  HA)    4.5  1.6  1.6
assign  (residue  11  and  name  HB#)    (residue  11  and  name  HD#)    2.5  0.7  0.7
assign  (residue  11  and  name  HB#)    (residue  12  and  name  HB1)   4.5  1.6  1.6
assign  (residue  11  and  name  HB#)    (residue  12  and  name  HB2)   4.5  1.6  1.6
assign  (residue  11  and  name  HN)    (residue  10  and  name  HB#)    4.5  1.6  1.6
assign  (residue  11  and  name  HN)    (residue  11  and  name  HD#)    3.5  1.2  1.2
assign  (residue  11  and  name  HN)    (residue  11  and  name  HB#)    3.5  1.2  1.2

!ASN 12
assign  (residue  12  and  name  HB1)   (residue  13  and  name  HN)    3.5  1.2  1.2
assign  (residue  12  and  name  HB2)   (residue  13  and  name  HN)    4.5  1.6  1.6
assign  (residue  12  and  name  HD21)   (residue  12  and  name  HB1)   4.5  1.6  1.6
assign  (residue  12  and  name  HD21)   (residue  12  and  name  HB2)   4.5  1.6  1.6
assign  (residue  12  and  name  HD22)   (residue  12  and  name  HB1)   4.5  1.6  1.6
assign  (residue  12  and  name  HD22)   (residue  12  and  name  HB2)   4.5  1.6  1.6
assign  (residue  12  and  name  HD22)   (residue  12  and  name  HD21)   2.5  0.7  0.7
assign  (residue  12  and  name  HN)    (residue  11  and  name  HD#)    3.5  1.2  1.2
assign  (residue  12  and  name  HN)    (residue  11  and  name  HB#)    3.5  1.2  1.2
assign  (residue  12  and  name  HN)    (residue  12  and  name  HB1)   3.5  1.2  1.2
assign  (residue  12  and  name  HN)    (residue  12  and  name  HB2)   3.5  1.2  1.2
assign  (residue  12  and  name  HN)    (residue  12  and  name  HD22)   4.5  1.6  1.6

!GLU 13
assign  (residue  13  and  name  HN)    (residue  10  and  name  HD#)    4.5  1.6  1.6
assign  (residue  13  and  name  HN)    (residue  13  and  name  HB1)   4.5  1.6  1.6
assign  (residue  13  and  name  HN)    (residue  13  and  name  HB2)   3.5  1.2  1.2
assign  (residue  13  and  name  HN)    (residue  13  and  name  HG1)   4.5  1.6  1.6
assign  (residue  13  and  name  HN)    (residue  13  and  name  HG2)   4.5  1.6  1.6

!ARG 14
assign  (residue  14  and  name  HB#)    (residue  1   and  name  HN)    4.5  1.6  1.6
assign  (residue  14  and  name  HN)    (residue  14  and  name  HB#)    3.5  1.2  1.2
assign  (residue  14  and  name  HN)    (residue  14  and  name  HG#)    4.5  1.6  1.6
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HN       GLY   1   7.974   1.554  -2.131
    2    HA2  GLY   1           HA2      GLY   1   8.209   1.390  -4.685
    3    HA3  GLY   1           HA1      GLY   1   8.871  -0.203  -4.328
    4    H    SER   2           HN       SER   2   7.058  -0.628  -2.058
    5    HA   SER   2           HA       SER   2   4.352  -0.477  -2.964
    6    HB2  SER   2           HB2      SER   2   5.905  -2.627  -4.008
    7    HB3  SER   2           HB1      SER   2   4.766  -3.298  -2.843
    8    HG   SER   2           HG       SER   2   4.143  -1.524  -4.978
    9    H    LYS   3           HN       LYS   3   3.058  -2.309  -1.620
   10    HA   LYS   3           HA       LYS   3   4.122  -3.110   0.864
   11    HB2  LYS   3           HB2      LYS   3   3.843  -0.471   0.985
   12    HB3  LYS   3           HB1      LYS   3   2.162  -0.898   1.287
   13    HG2  LYS   3           HG2      LYS   3   3.188  -0.788   3.438
   14    HG3  LYS   3           HG1      LYS   3   3.014  -2.503   3.075
   15    HD2  LYS   3           HD2      LYS   3   5.527  -1.657   2.009
   16    HD3  LYS   3           HD1      LYS   3   5.412  -1.043   3.656
   17    HE2  LYS   3           HE2      LYS   3   4.857  -3.920   2.876
   18    HE3  LYS   3           HE1      LYS   3   6.390  -3.344   3.528
   19    HZ1  LYS   3           HZ1      LYS   3   5.149  -2.520   5.476
   20    HZ2  LYS   3           HZ2      LYS   3   5.065  -4.208   5.301
   21    HZ3  LYS   3           HZ3      LYS   3   3.741  -3.237   4.862
   22    H    ARG   4           HN       ARG   4   0.984  -1.680  -0.057
   23    HA   ARG   4           HA       ARG   4  -0.303  -4.186  -0.452
   24    HB2  ARG   4           HB2      ARG   4   0.120  -3.807   2.184
   25    HB3  ARG   4           HB1      ARG   4  -1.393  -2.922   2.006
   26    HG2  ARG   4           HG2      ARG   4  -2.201  -5.058   2.419
   27    HG3  ARG   4           HG1      ARG   4  -2.132  -5.080   0.658
   28    HD2  ARG   4           HD2      ARG   4  -1.111  -7.116   1.554
   29    HD3  ARG   4           HD1      ARG   4   0.119  -6.124   0.780
   30    HE   ARG   4           HE       ARG   4   1.078  -5.739   2.879
   31   HH11  ARG   4          HH11      ARG   4   1.297  -6.219   5.088
   32   HH12  ARG   4          HH12      ARG   4   0.024  -7.049   5.919
   33   HH21  ARG   4          HH21      ARG   4  -2.011  -7.281   3.121
   34   HH22  ARG   4          HH22      ARG   4  -1.848  -7.650   4.805
   35    H    PHE   5           HN       PHE   5  -2.545  -3.956  -0.970
   36    HA   PHE   5           HA       PHE   5  -3.274  -1.182  -1.660
   37    HB2  PHE   5           HB2      PHE   5  -4.971  -2.467  -3.170
   38    HB3  PHE   5           HB1      PHE   5  -3.280  -2.376  -3.663
   39    HD1  PHE   5           HD1      PHE   5  -5.770  -4.523  -1.911
   40    HD2  PHE   5           HD2      PHE   5  -1.957  -4.330  -3.875
   41    HE1  PHE   5           HE1      PHE   5  -5.624  -6.999  -1.868
   42    HE2  PHE   5           HE2      PHE   5  -1.808  -6.806  -3.834
   43    HZ   PHE   5           HZ       PHE   5  -3.642  -8.140  -2.829
   44    H    ARG   6           HN       ARG   6  -5.246  -0.339  -1.054
   45    HA   ARG   6           HA       ARG   6  -7.046  -2.064   0.513
   46    HB2  ARG   6           HB2      ARG   6  -5.730   0.471   1.483
   47    HB3  ARG   6           HB1      ARG   6  -7.290  -0.043   2.112
   48    HG2  ARG   6           HG2      ARG   6  -5.117  -2.083   1.992
   49    HG3  ARG   6           HG1      ARG   6  -5.009  -0.841   3.238
   50    HD2  ARG   6           HD2      ARG   6  -7.099  -1.455   4.184
   51    HD3  ARG   6           HD1      ARG   6  -7.544  -2.416   2.776
   52    HE   ARG   6           HE       ARG   6  -5.972  -3.297   5.004
   53   HH11  ARG   6          HH11      ARG   6  -5.118  -5.398   4.882
   54   HH12  ARG   6          HH12      ARG   6  -5.035  -6.206   3.352
   55   HH21  ARG   6          HH21      ARG   6  -6.425  -3.567   1.583
   56   HH22  ARG   6          HH22      ARG   6  -5.775  -5.170   1.485
   57    HA   DPR   7           HA       DPR   7 -10.497  -0.576  -1.725
   58    HB2  DPR   7           HB1      DPR   7  -8.716  -0.496  -4.139
   59    HB3  DPR   7           HB2      DPR   7 -10.375  -1.105  -3.984
   60    HG2  DPR   7           HG1      DPR   7  -8.185  -2.701  -3.953
   61    HG3  DPR   7           HG2      DPR   7  -9.685  -3.090  -3.098
   62    HD2  DPR   7           HD1      DPR   7  -7.062  -2.383  -1.990
   63    HD3  DPR   7           HD2      DPR   7  -8.493  -3.013  -1.145
   64    HA   PRO   8           HA       PRO   8 -10.439   3.801  -2.490
   65    HB2  PRO   8           HB2      PRO   8 -10.358   4.766   0.129
   66    HB3  PRO   8           HB1      PRO   8 -11.827   4.280  -0.736
   67    HG2  PRO   8           HG2      PRO   8 -10.226   2.790   1.268
   68    HG3  PRO   8           HG1      PRO   8 -11.979   2.808   1.001
   69    HD2  PRO   8           HD2      PRO   8 -10.434   0.728   0.190
   70    HD3  PRO   8           HD1      PRO   8 -11.874   1.239  -0.719
   71    H    ILE   9           HN       ILE   9  -8.097   2.581  -0.125
   72    HA   ILE   9           HA       ILE   9  -6.173   4.631  -1.062
   73    HB   ILE   9           HB       ILE   9  -5.099   4.121   1.273
   74   HG12  ILE   9          HG12      ILE   9  -7.897   3.757   2.201
   75   HG13  ILE   9          HG11      ILE   9  -7.138   2.343   1.469
   76   HG21  ILE   9          HG21      ILE   9  -5.783   6.314   1.025
   77   HG22  ILE   9          HG22      ILE   9  -6.946   5.784   2.240
   78   HG23  ILE   9          HG23      ILE   9  -7.418   5.861   0.543
   79   HD11  ILE   9          HD11      ILE   9  -5.290   2.442   3.019
   80   HD12  ILE   9          HD12      ILE   9  -6.780   2.525   3.960
   81   HD13  ILE   9          HD13      ILE   9  -5.844   3.990   3.656
   82    H    ILE  10           HN       ILE  10  -4.024   4.003  -1.336
   83    HA   ILE  10           HA       ILE  10  -3.542   1.092  -1.342
   84    HB   ILE  10           HB       ILE  10  -2.243   1.288  -3.381
   85   HG12  ILE  10          HG12      ILE  10  -2.841   3.742  -4.496
   86   HG13  ILE  10          HG11      ILE  10  -2.509   4.169  -2.821
   87   HG21  ILE  10          HG21      ILE  10  -4.527   0.787  -3.779
   88   HG22  ILE  10          HG22      ILE  10  -4.136   2.078  -4.917
   89   HG23  ILE  10          HG23      ILE  10  -5.031   2.444  -3.441
   90   HD11  ILE  10          HD11      ILE  10  -0.700   2.757  -4.779
   91   HD12  ILE  10          HD12      ILE  10  -0.406   2.700  -3.041
   92   HD13  ILE  10          HD13      ILE  10  -0.392   4.247  -3.889
   93    H    PHE  11           HN       PHE  11  -2.003   0.533  -0.017
   94    HA   PHE  11           HA       PHE  11  -0.128   2.526   0.987
   95    HB2  PHE  11           HB2      PHE  11  -0.842  -0.294   1.759
   96    HB3  PHE  11           HB1      PHE  11   0.612   0.476   2.394
   97    HD1  PHE  11           HD1      PHE  11   0.220   2.980   3.264
   98    HD2  PHE  11           HD2      PHE  11  -2.817  -0.045   2.968
   99    HE1  PHE  11           HE1      PHE  11  -1.148   4.190   4.942
  100    HE2  PHE  11           HE2      PHE  11  -4.183   1.165   4.646
  101    HZ   PHE  11           HZ       PHE  11  -3.349   3.282   5.633
  102    H    ASN  12           HN       ASN  12   1.847   2.803   0.181
  103    HA   ASN  12           HA       ASN  12   3.229   0.522  -1.056
  104    HB2  ASN  12           HB2      ASN  12   3.868   1.821  -2.993
  105    HB3  ASN  12           HB1      ASN  12   2.111   1.834  -2.860
  106   HD21  ASN  12          HD21      ASN  12   2.219   3.783  -0.548
  107   HD22  ASN  12          HD22      ASN  12   2.584   5.286  -1.261
  108    H    GLU  13           HN       GLU  13   5.262   0.366  -0.364
  109    HA   GLU  13           HA       GLU  13   6.681   2.796   0.498
  110    HB2  GLU  13           HB2      GLU  13   5.553   1.293   2.393
  111    HB3  GLU  13           HB1      GLU  13   7.024   0.346   2.161
  112    HG2  GLU  13           HG2      GLU  13   8.367   2.425   2.464
  113    HG3  GLU  13           HG1      GLU  13   6.879   3.306   2.805
  114    H    ARG  14           HN       ARG  14   8.914   2.719   0.215
  115    HA   ARG  14           HA       ARG  14  10.837   2.112  -0.895
  116    HB2  ARG  14           HB2      ARG  14   9.956  -0.264   0.646
  117    HB3  ARG  14           HB1      ARG  14  11.189  -0.541  -0.583
  118    HG2  ARG  14           HG2      ARG  14  12.716   0.928   0.435
  119    HG3  ARG  14           HG1      ARG  14  11.454   1.750   1.353
  120    HD2  ARG  14           HD2      ARG  14  13.068  -0.100   2.457
  121    HD3  ARG  14           HD1      ARG  14  11.409   0.149   2.990
  122    HE   ARG  14           HE       ARG  14  11.740  -1.779   0.836
  123   HH11  ARG  14          HH11      ARG  14  11.117  -3.899   1.361
  124   HH12  ARG  14          HH12      ARG  14  10.827  -4.327   3.013
  125   HH21  ARG  14          HH21      ARG  14  11.543  -1.161   4.235
  126   HH22  ARG  14          HH22      ARG  14  11.068  -2.777   4.640
  Start of MODEL    2
    1    H1   GLY   1           HN       GLY   1   7.145   1.216   3.148
    2    HA2  GLY   1           HA2      GLY   1   7.550   0.276   5.599
    3    HA3  GLY   1           HA1      GLY   1   5.802   0.478   5.638
    4    H    SER   2           HN       SER   2   5.332  -0.198   2.885
    5    HA   SER   2           HA       SER   2   6.447  -2.726   2.219
    6    HB2  SER   2           HB2      SER   2   4.999  -3.212   4.306
    7    HB3  SER   2           HB1      SER   2   3.624  -2.951   3.237
    8    HG   SER   2           HG       SER   2   5.624  -4.929   3.162
    9    H    LYS   3           HN       LYS   3   4.318  -3.904   0.906
   10    HA   LYS   3           HA       LYS   3   3.299  -1.802  -0.899
   11    HB2  LYS   3           HB2      LYS   3   4.757  -4.335  -1.660
   12    HB3  LYS   3           HB1      LYS   3   3.755  -3.432  -2.795
   13    HG2  LYS   3           HG2      LYS   3   5.325  -1.828  -3.061
   14    HG3  LYS   3           HG1      LYS   3   5.605  -1.707  -1.324
   15    HD2  LYS   3           HD2      LYS   3   6.666  -4.006  -2.978
   16    HD3  LYS   3           HD1      LYS   3   7.586  -2.524  -2.720
   17    HE2  LYS   3           HE2      LYS   3   8.121  -3.105  -0.601
   18    HE3  LYS   3           HE1      LYS   3   6.467  -3.596  -0.236
   19    HZ1  LYS   3           HZ1      LYS   3   8.701  -5.206  -0.912
   20    HZ2  LYS   3           HZ2      LYS   3   7.431  -5.470  -2.009
   21    HZ3  LYS   3           HZ3      LYS   3   7.175  -5.678  -0.343
   22    H    ARG   4           HN       ARG   4   1.177  -1.919  -0.370
   23    HA   ARG   4           HA       ARG   4  -0.201  -4.429  -1.000
   24    HB2  ARG   4           HB2      ARG   4  -0.619  -2.911   1.588
   25    HB3  ARG   4           HB1      ARG   4  -1.562  -4.298   1.046
   26    HG2  ARG   4           HG2      ARG   4   0.730  -5.511   0.876
   27    HG3  ARG   4           HG1      ARG   4   1.324  -4.205   1.903
   28    HD2  ARG   4           HD2      ARG   4  -0.403  -4.725   3.579
   29    HD3  ARG   4           HD1      ARG   4  -1.017  -6.019   2.554
   30    HE   ARG   4           HE       ARG   4   0.699  -7.349   3.350
   31   HH11  ARG   4          HH11      ARG   4   2.636  -7.752   4.466
   32   HH12  ARG   4          HH12      ARG   4   3.610  -6.424   5.005
   33   HH21  ARG   4          HH21      ARG   4   1.475  -4.000   3.746
   34   HH22  ARG   4          HH22      ARG   4   2.953  -4.300   4.598
   35    H    PHE   5           HN       PHE   5  -2.718  -3.910  -0.637
   36    HA   PHE   5           HA       PHE   5  -3.315  -1.202  -1.616
   37    HB2  PHE   5           HB2      PHE   5  -4.202  -3.763  -2.961
   38    HB3  PHE   5           HB1      PHE   5  -4.801  -2.154  -3.362
   39    HD1  PHE   5           HD1      PHE   5  -3.440  -0.564  -4.574
   40    HD2  PHE   5           HD2      PHE   5  -1.843  -4.374  -3.397
   41    HE1  PHE   5           HE1      PHE   5  -1.486  -0.203  -6.058
   42    HE2  PHE   5           HE2      PHE   5   0.111  -4.013  -4.881
   43    HZ   PHE   5           HZ       PHE   5   0.290  -1.928  -6.212
   44    H    ARG   6           HN       ARG   6  -5.214  -0.380  -0.856
   45    HA   ARG   6           HA       ARG   6  -7.109  -2.234   0.428
   46    HB2  ARG   6           HB2      ARG   6  -5.988   0.251   1.756
   47    HB3  ARG   6           HB1      ARG   6  -7.291  -0.747   2.392
   48    HG2  ARG   6           HG2      ARG   6  -5.429  -2.664   1.974
   49    HG3  ARG   6           HG1      ARG   6  -4.371  -1.290   2.284
   50    HD2  ARG   6           HD2      ARG   6  -5.570  -0.841   4.392
   51    HD3  ARG   6           HD1      ARG   6  -6.632  -2.210   4.083
   52    HE   ARG   6           HE       ARG   6  -4.888  -3.655   4.670
   53   HH11  ARG   6          HH11      ARG   6  -2.866  -4.045   5.627
   54   HH12  ARG   6          HH12      ARG   6  -1.737  -2.745   5.816
   55   HH21  ARG   6          HH21      ARG   6  -3.821  -0.375   4.382
   56   HH22  ARG   6          HH22      ARG   6  -2.278  -0.669   5.110
   57    HA   DPR   7           HA       DPR   7 -10.417  -0.372  -1.748
   58    HB2  DPR   7           HB1      DPR   7  -8.458   0.266  -3.933
   59    HB3  DPR   7           HB2      DPR   7 -10.122  -0.339  -4.059
   60    HG2  DPR   7           HG1      DPR   7  -7.935  -1.935  -4.206
   61    HG3  DPR   7           HG2      DPR   7  -9.499  -2.485  -3.585
   62    HD2  DPR   7           HD1      DPR   7  -6.986  -2.102  -2.140
   63    HD3  DPR   7           HD2      DPR   7  -8.491  -2.843  -1.560
   64    HA   PRO   8           HA       PRO   8 -10.719   4.037  -1.292
   65    HB2  PRO   8           HB2      PRO   8  -9.783   3.644   1.523
   66    HB3  PRO   8           HB1      PRO   8 -11.191   4.532   0.919
   67    HG2  PRO   8           HG2      PRO   8 -11.346   2.078   2.040
   68    HG3  PRO   8           HG1      PRO   8 -12.489   2.681   0.832
   69    HD2  PRO   8           HD2      PRO   8 -10.467   0.561   0.551
   70    HD3  PRO   8           HD1      PRO   8 -11.834   0.958  -0.514
   71    H    ILE   9           HN       ILE   9  -7.822   2.358  -0.178
   72    HA   ILE   9           HA       ILE   9  -6.196   4.560  -1.204
   73    HB   ILE   9           HB       ILE   9  -4.770   4.316   0.971
   74   HG12  ILE   9          HG12      ILE   9  -7.341   3.910   2.381
   75   HG13  ILE   9          HG11      ILE   9  -6.677   2.472   1.606
   76   HG21  ILE   9          HG21      ILE   9  -5.982   6.367   0.248
   77   HG22  ILE   9          HG22      ILE   9  -6.022   6.153   1.997
   78   HG23  ILE   9          HG23      ILE   9  -7.440   5.755   1.030
   79   HD11  ILE   9          HD11      ILE   9  -5.910   2.876   4.001
   80   HD12  ILE   9          HD12      ILE   9  -5.023   4.271   3.385
   81   HD13  ILE   9          HD13      ILE   9  -4.622   2.651   2.817
   82    H    ILE  10           HN       ILE  10  -4.122   3.990  -1.793
   83    HA   ILE  10           HA       ILE  10  -3.637   1.091  -1.957
   84    HB   ILE  10           HB       ILE  10  -2.289   1.514  -3.870
   85   HG12  ILE  10          HG12      ILE  10  -2.234   4.199  -4.427
   86   HG13  ILE  10          HG11      ILE  10  -2.062   4.216  -2.674
   87   HG21  ILE  10          HG21      ILE  10  -4.399   3.618  -4.229
   88   HG22  ILE  10          HG22      ILE  10  -4.880   1.945  -3.944
   89   HG23  ILE  10          HG23      ILE  10  -3.887   2.351  -5.344
   90   HD11  ILE  10          HD11      ILE  10   0.160   4.035  -3.444
   91   HD12  ILE  10          HD12      ILE  10  -0.282   2.909  -4.726
   92   HD13  ILE  10          HD13      ILE  10  -0.269   2.372  -3.047
   93    H    PHE  11           HN       PHE  11  -1.607   0.224  -1.398
   94    HA   PHE  11           HA       PHE  11   0.001   1.946   0.393
   95    HB2  PHE  11           HB2      PHE  11  -1.172  -0.686   0.741
   96    HB3  PHE  11           HB1      PHE  11   0.571  -0.711   1.014
   97    HD1  PHE  11           HD1      PHE  11  -2.647   0.301   2.312
   98    HD2  PHE  11           HD2      PHE  11   1.585   0.977   2.618
   99    HE1  PHE  11           HE1      PHE  11  -2.979   1.383   4.520
  100    HE2  PHE  11           HE2      PHE  11   1.253   2.058   4.826
  101    HZ   PHE  11           HZ       PHE  11  -1.029   2.260   5.776
  102    H    ASN  12           HN       ASN  12   1.818   2.535  -0.601
  103    HA   ASN  12           HA       ASN  12   3.374   0.461  -2.015
  104    HB2  ASN  12           HB2      ASN  12   3.994   2.038  -3.734
  105    HB3  ASN  12           HB1      ASN  12   2.234   1.988  -3.638
  106   HD21  ASN  12          HD21      ASN  12   1.920   3.618  -1.266
  107   HD22  ASN  12          HD22      ASN  12   2.395   5.204  -1.667
  108    H    GLU  13           HN       GLU  13   5.153   0.154  -0.853
  109    HA   GLU  13           HA       GLU  13   7.087   0.560   0.310
  110    HB2  GLU  13           HB2      GLU  13   6.870   3.455  -0.506
  111    HB3  GLU  13           HB1      GLU  13   8.325   2.513  -0.176
  112    HG2  GLU  13           HG2      GLU  13   7.587   1.027  -2.153
  113    HG3  GLU  13           HG1      GLU  13   6.490   2.345  -2.566
  114    H    ARG  14           HN       ARG  14   7.516   3.407   1.401
  115    HA   ARG  14           HA       ARG  14   7.317   4.326   3.507
  116    HB2  ARG  14           HB2      ARG  14   4.617   4.138   2.320
  117    HB3  ARG  14           HB1      ARG  14   4.662   4.423   4.061
  118    HG2  ARG  14           HG2      ARG  14   6.015   6.390   3.789
  119    HG3  ARG  14           HG1      ARG  14   6.292   6.034   2.083
  120    HD2  ARG  14           HD2      ARG  14   3.450   6.144   2.724
  121    HD3  ARG  14           HD1      ARG  14   4.270   7.653   3.118
  122    HE   ARG  14           HE       ARG  14   3.879   6.533   0.460
  123   HH11  ARG  14          HH11      ARG  14   4.512   7.894  -1.243
  124   HH12  ARG  14          HH12      ARG  14   5.465   9.302  -0.913
  125   HH21  ARG  14          HH21      ARG  14   5.593   8.736   2.506
  126   HH22  ARG  14          HH22      ARG  14   6.077   9.778   1.211
  Start of MODEL    3
    1    H1   GLY   1           HN       GLY   1   8.852   0.243   1.735
    2    HA2  GLY   1           HA2      GLY   1  10.010  -2.392   1.124
    3    HA3  GLY   1           HA1      GLY   1  10.198  -1.747   2.752
    4    H    SER   2           HN       SER   2   7.423  -1.553   0.540
    5    HA   SER   2           HA       SER   2   5.880  -3.537   1.893
    6    HB2  SER   2           HB2      SER   2   6.010  -1.350   3.421
    7    HB3  SER   2           HB1      SER   2   4.712  -0.835   2.349
    8    HG   SER   2           HG       SER   2   4.755  -3.368   3.617
    9    H    LYS   3           HN       LYS   3   4.359  -4.227   0.521
   10    HA   LYS   3           HA       LYS   3   3.314  -2.358  -1.513
   11    HB2  LYS   3           HB2      LYS   3   4.307  -5.176  -2.007
   12    HB3  LYS   3           HB1      LYS   3   3.450  -4.187  -3.188
   13    HG2  LYS   3           HG2      LYS   3   5.419  -3.283  -3.791
   14    HG3  LYS   3           HG1      LYS   3   5.544  -2.572  -2.183
   15    HD2  LYS   3           HD2      LYS   3   7.529  -3.909  -2.578
   16    HD3  LYS   3           HD1      LYS   3   6.538  -4.731  -1.373
   17    HE2  LYS   3           HE2      LYS   3   5.628  -5.624  -3.903
   18    HE3  LYS   3           HE1      LYS   3   7.390  -5.689  -3.951
   19    HZ1  LYS   3           HZ1      LYS   3   6.322  -6.628  -1.469
   20    HZ2  LYS   3           HZ2      LYS   3   7.424  -7.374  -2.525
   21    HZ3  LYS   3           HZ3      LYS   3   5.752  -7.528  -2.789
   22    H    ARG   4           HN       ARG   4   1.279  -2.164  -0.702
   23    HA   ARG   4           HA       ARG   4  -0.425  -4.525  -0.866
   24    HB2  ARG   4           HB2      ARG   4  -0.125  -2.914   1.679
   25    HB3  ARG   4           HB1      ARG   4  -1.421  -4.069   1.381
   26    HG2  ARG   4           HG2      ARG   4   0.408  -5.793   0.916
   27    HG3  ARG   4           HG1      ARG   4   1.544  -4.622   1.588
   28    HD2  ARG   4           HD2      ARG   4   1.023  -5.742   3.526
   29    HD3  ARG   4           HD1      ARG   4  -0.282  -4.559   3.543
   30    HE   ARG   4           HE       ARG   4  -1.787  -6.279   3.087
   31   HH11  ARG   4          HH11      ARG   4  -2.321  -8.471   2.829
   32   HH12  ARG   4          HH12      ARG   4  -1.071  -9.632   2.530
   33   HH21  ARG   4          HH21      ARG   4   1.486  -7.290   2.596
   34   HH22  ARG   4          HH22      ARG   4   1.085  -8.963   2.398
   35    H    PHE   5           HN       PHE   5  -2.706  -3.984  -0.829
   36    HA   PHE   5           HA       PHE   5  -3.223  -1.175  -1.612
   37    HB2  PHE   5           HB2      PHE   5  -4.505  -3.723  -2.619
   38    HB3  PHE   5           HB1      PHE   5  -5.053  -2.097  -3.029
   39    HD1  PHE   5           HD1      PHE   5  -3.288  -0.477  -4.035
   40    HD2  PHE   5           HD2      PHE   5  -2.805  -4.742  -3.878
   41    HE1  PHE   5           HE1      PHE   5  -1.576  -0.349  -5.825
   42    HE2  PHE   5           HE2      PHE   5  -1.094  -4.614  -5.668
   43    HZ   PHE   5           HZ       PHE   5  -0.480  -2.418  -6.642
   44    H    ARG   6           HN       ARG   6  -5.217  -0.254  -0.975
   45    HA   ARG   6           HA       ARG   6  -6.797  -1.788   0.978
   46    HB2  ARG   6           HB2      ARG   6  -5.382   0.818   1.513
   47    HB3  ARG   6           HB1      ARG   6  -6.876   0.421   2.354
   48    HG2  ARG   6           HG2      ARG   6  -4.710  -1.643   2.242
   49    HG3  ARG   6           HG1      ARG   6  -4.537  -0.294   3.364
   50    HD2  ARG   6           HD2      ARG   6  -7.166  -1.708   3.288
   51    HD3  ARG   6           HD1      ARG   6  -5.815  -2.529   4.063
   52    HE   ARG   6           HE       ARG   6  -7.267  -0.321   5.126
   53   HH11  ARG   6          HH11      ARG   6  -6.487   0.618   7.041
   54   HH12  ARG   6          HH12      ARG   6  -4.850   0.336   7.533
   55   HH21  ARG   6          HH21      ARG   6  -4.097  -1.674   4.810
   56   HH22  ARG   6          HH22      ARG   6  -3.498  -0.961   6.270
   57    HA   DPR   7           HA       DPR   7 -10.458  -0.549  -1.067
   58    HB2  DPR   7           HB1      DPR   7  -8.922  -0.636  -3.644
   59    HB3  DPR   7           HB2      DPR   7 -10.547  -1.249  -3.282
   60    HG2  DPR   7           HG1      DPR   7  -8.361  -2.828  -3.345
   61    HG3  DPR   7           HG2      DPR   7  -9.739  -3.138  -2.277
   62    HD2  DPR   7           HD1      DPR   7  -7.009  -2.275  -1.589
   63    HD3  DPR   7           HD2      DPR   7  -8.283  -2.901  -0.522
   64    HA   PRO   8           HA       PRO   8 -10.596   3.739  -2.230
   65    HB2  PRO   8           HB2      PRO   8 -10.437   4.948   0.270
   66    HB3  PRO   8           HB1      PRO   8 -11.920   4.292  -0.449
   67    HG2  PRO   8           HG2      PRO   8 -10.101   3.096   1.572
   68    HG3  PRO   8           HG1      PRO   8 -11.867   3.011   1.444
   69    HD2  PRO   8           HD2      PRO   8 -10.287   0.930   0.714
   70    HD3  PRO   8           HD1      PRO   8 -11.811   1.290  -0.127
   71    H    ILE   9           HN       ILE   9  -7.886   2.472  -0.510
   72    HA   ILE   9           HA       ILE   9  -6.228   4.626  -1.600
   73    HB   ILE   9           HB       ILE   9  -4.981   4.631   0.676
   74   HG12  ILE   9          HG12      ILE   9  -7.639   4.123   1.904
   75   HG13  ILE   9          HG11      ILE   9  -6.767   2.702   1.332
   76   HG21  ILE   9          HG21      ILE   9  -7.728   5.886   0.384
   77   HG22  ILE   9          HG22      ILE   9  -6.222   6.549  -0.251
   78   HG23  ILE   9          HG23      ILE   9  -6.467   6.428   1.492
   79   HD11  ILE   9          HD11      ILE   9  -5.350   4.774   2.988
   80   HD12  ILE   9          HD12      ILE   9  -4.953   3.069   2.771
   81   HD13  ILE   9          HD13      ILE   9  -6.333   3.534   3.766
   82    H    ILE  10           HN       ILE  10  -4.090   4.070  -1.972
   83    HA   ILE  10           HA       ILE  10  -3.568   1.178  -1.962
   84    HB   ILE  10           HB       ILE  10  -1.991   1.570  -3.702
   85   HG12  ILE  10          HG12      ILE  10  -1.878   4.246  -4.298
   86   HG13  ILE  10          HG11      ILE  10  -1.920   4.293  -2.538
   87   HG21  ILE  10          HG21      ILE  10  -3.518   2.089  -5.294
   88   HG22  ILE  10          HG22      ILE  10  -3.840   3.676  -4.597
   89   HG23  ILE  10          HG23      ILE  10  -4.644   2.248  -3.946
   90   HD11  ILE  10          HD11      ILE  10  -0.089   2.452  -2.661
   91   HD12  ILE  10          HD12      ILE  10   0.379   4.112  -3.028
   92   HD13  ILE  10          HD13      ILE  10   0.100   2.965  -4.337
   93    H    PHE  11           HN       PHE  11  -1.627   0.318  -1.151
   94    HA   PHE  11           HA       PHE  11  -0.194   2.075   0.753
   95    HB2  PHE  11           HB2      PHE  11  -1.498  -0.493   1.100
   96    HB3  PHE  11           HB1      PHE  11   0.209  -0.573   1.538
   97    HD1  PHE  11           HD1      PHE  11  -2.436   2.081   1.817
   98    HD2  PHE  11           HD2      PHE  11   0.504  -0.315   3.839
   99    HE1  PHE  11           HE1      PHE  11  -2.928   3.266   3.939
  100    HE2  PHE  11           HE2      PHE  11   0.010   0.871   5.959
  101    HZ   PHE  11           HZ       PHE  11  -1.705   2.661   6.010
  102    H    ASN  12           HN       ASN  12   1.586   2.626  -0.424
  103    HA   ASN  12           HA       ASN  12   3.314   0.396  -1.316
  104    HB2  ASN  12           HB2      ASN  12   2.800   3.033  -2.703
  105    HB3  ASN  12           HB1      ASN  12   4.118   1.942  -3.123
  106   HD21  ASN  12          HD21      ASN  12   1.815  -0.168  -2.165
  107   HD22  ASN  12          HD22      ASN  12   1.003  -0.424  -3.639
  108    H    GLU  13           HN       GLU  13   5.238   0.388  -0.360
  109    HA   GLU  13           HA       GLU  13   6.448   2.929   0.483
  110    HB2  GLU  13           HB2      GLU  13   5.124   1.523   2.342
  111    HB3  GLU  13           HB1      GLU  13   6.666   0.668   2.401
  112    HG2  GLU  13           HG2      GLU  13   6.897   2.429   3.974
  113    HG3  GLU  13           HG1      GLU  13   7.758   2.990   2.541
  114    H    ARG  14           HN       ARG  14   8.716   2.869   0.648
  115    HA   ARG  14           HA       ARG  14  10.150   1.474  -1.204
  116    HB2  ARG  14           HB2      ARG  14  10.849   2.853   1.315
  117    HB3  ARG  14           HB1      ARG  14  12.035   1.676   0.754
  118    HG2  ARG  14           HG2      ARG  14  12.358   2.792  -1.298
  119    HG3  ARG  14           HG1      ARG  14  10.857   3.704  -1.142
  120    HD2  ARG  14           HD2      ARG  14  11.819   4.925   0.790
  121    HD3  ARG  14           HD1      ARG  14  13.328   4.042   0.580
  122    HE   ARG  14           HE       ARG  14  13.007   5.142  -1.854
  123   HH11  ARG  14          HH11      ARG  14  13.628   7.246  -2.439
  124   HH12  ARG  14          HH12      ARG  14  13.695   8.490  -1.236
  125   HH21  ARG  14          HH21      ARG  14  12.691   6.410   1.351
  126   HH22  ARG  14          HH22      ARG  14  13.165   8.017   0.910
  Start of MODEL    4
    1    H1   GLY   1           HN       GLY   1   9.260  -0.354  -0.486
    2    HA2  GLY   1           HA2      GLY   1  10.711  -2.318  -0.327
    3    HA3  GLY   1           HA1      GLY   1  10.750  -2.067   1.415
    4    H    SER   2           HN       SER   2   7.732  -1.305   0.938
    5    HA   SER   2           HA       SER   2   6.674  -4.042   0.687
    6    HB2  SER   2           HB2      SER   2   7.022  -2.902   3.146
    7    HB3  SER   2           HB1      SER   2   5.379  -2.399   2.761
    8    HG   SER   2           HG       SER   2   5.904  -4.997   2.096
    9    H    LYS   3           HN       LYS   3   4.617  -4.175  -0.170
   10    HA   LYS   3           HA       LYS   3   3.237  -1.649  -0.800
   11    HB2  LYS   3           HB2      LYS   3   3.778  -3.857  -2.800
   12    HB3  LYS   3           HB1      LYS   3   2.849  -2.388  -3.099
   13    HG2  LYS   3           HG2      LYS   3   4.870  -1.037  -2.552
   14    HG3  LYS   3           HG1      LYS   3   5.789  -2.532  -2.369
   15    HD2  LYS   3           HD2      LYS   3   4.422  -2.702  -4.854
   16    HD3  LYS   3           HD1      LYS   3   5.167  -1.105  -4.784
   17    HE2  LYS   3           HE2      LYS   3   6.552  -3.770  -4.384
   18    HE3  LYS   3           HE1      LYS   3   6.782  -2.650  -5.725
   19    HZ1  LYS   3           HZ1      LYS   3   7.153  -1.429  -3.157
   20    HZ2  LYS   3           HZ2      LYS   3   8.155  -1.396  -4.528
   21    HZ3  LYS   3           HZ3      LYS   3   8.241  -2.699  -3.440
   22    H    ARG   4           HN       ARG   4   1.154  -1.741  -0.298
   23    HA   ARG   4           HA       ARG   4  -0.227  -4.346  -0.346
   24    HB2  ARG   4           HB2      ARG   4   0.421  -2.824   1.994
   25    HB3  ARG   4           HB1      ARG   4  -1.328  -2.800   1.767
   26    HG2  ARG   4           HG2      ARG   4  -0.687  -4.755   3.100
   27    HG3  ARG   4           HG1      ARG   4  -1.319  -5.270   1.537
   28    HD2  ARG   4           HD2      ARG   4   1.581  -4.787   1.524
   29    HD3  ARG   4           HD1      ARG   4   1.089  -6.076   2.618
   30    HE   ARG   4           HE       ARG   4   0.910  -6.100  -0.284
   31   HH11  ARG   4          HH11      ARG   4   0.265  -8.085  -1.179
   32   HH12  ARG   4          HH12      ARG   4  -0.403  -9.314  -0.158
   33   HH21  ARG   4          HH21      ARG   4  -0.137  -7.424   2.738
   34   HH22  ARG   4          HH22      ARG   4  -0.630  -8.940   2.060
   35    H    PHE   5           HN       PHE   5  -2.716  -3.678   0.306
   36    HA   PHE   5           HA       PHE   5  -3.455  -1.377  -1.387
   37    HB2  PHE   5           HB2      PHE   5  -5.313  -3.625  -1.564
   38    HB3  PHE   5           HB1      PHE   5  -4.626  -2.629  -2.847
   39    HD1  PHE   5           HD1      PHE   5  -4.140  -5.627  -0.753
   40    HD2  PHE   5           HD2      PHE   5  -2.542  -3.240  -3.948
   41    HE1  PHE   5           HE1      PHE   5  -2.567  -7.455  -1.333
   42    HE2  PHE   5           HE2      PHE   5  -0.969  -5.069  -4.526
   43    HZ   PHE   5           HZ       PHE   5  -0.982  -7.176  -3.218
   44    H    ARG   6           HN       ARG   6  -5.350  -0.310  -0.815
   45    HA   ARG   6           HA       ARG   6  -6.843  -1.331   1.496
   46    HB2  ARG   6           HB2      ARG   6  -5.209   1.177   1.465
   47    HB3  ARG   6           HB1      ARG   6  -6.753   1.197   2.312
   48    HG2  ARG   6           HG2      ARG   6  -4.659  -0.946   2.758
   49    HG3  ARG   6           HG1      ARG   6  -4.738   0.528   3.721
   50    HD2  ARG   6           HD2      ARG   6  -6.306  -0.418   5.022
   51    HD3  ARG   6           HD1      ARG   6  -7.373  -0.571   3.631
   52    HE   ARG   6           HE       ARG   6  -6.929  -2.833   3.692
   53   HH11  ARG   6          HH11      ARG   6  -5.733  -4.687   4.226
   54   HH12  ARG   6          HH12      ARG   6  -4.187  -4.524   4.989
   55   HH21  ARG   6          HH21      ARG   6  -4.284  -1.058   5.044
   56   HH22  ARG   6          HH22      ARG   6  -3.366  -2.469   5.453
   57    HA   DPR   7           HA       DPR   7 -10.556  -0.338  -0.578
   58    HB2  DPR   7           HB1      DPR   7  -9.193  -1.092  -3.141
   59    HB3  DPR   7           HB2      DPR   7 -10.812  -1.522  -2.559
   60    HG2  DPR   7           HG1      DPR   7  -8.687  -3.182  -2.383
   61    HG3  DPR   7           HG2      DPR   7 -10.012  -3.183  -1.209
   62    HD2  DPR   7           HD1      DPR   7  -7.217  -2.329  -0.857
   63    HD3  DPR   7           HD2      DPR   7  -8.456  -2.636   0.380
   64    HA   PRO   8           HA       PRO   8 -10.551   3.577  -2.683
   65    HB2  PRO   8           HB2      PRO   8 -10.158   5.303  -0.532
   66    HB3  PRO   8           HB1      PRO   8 -11.720   4.616  -1.016
   67    HG2  PRO   8           HG2      PRO   8  -9.863   3.774   1.142
   68    HG3  PRO   8           HG1      PRO   8 -11.636   3.782   1.110
   69    HD2  PRO   8           HD2      PRO   8 -10.217   1.489   0.806
   70    HD3  PRO   8           HD1      PRO   8 -11.764   1.753  -0.027
   71    H    ILE   9           HN       ILE   9  -7.847   2.754  -0.608
   72    HA   ILE   9           HA       ILE   9  -6.115   4.449  -2.296
   73    HB   ILE   9           HB       ILE   9  -4.746   4.851  -0.169
   74   HG12  ILE   9          HG12      ILE   9  -7.241   4.610   1.398
   75   HG13  ILE   9          HG11      ILE   9  -6.502   3.075   0.937
   76   HG21  ILE   9          HG21      ILE   9  -6.807   6.493   0.587
   77   HG22  ILE   9          HG22      ILE   9  -7.265   6.093  -1.068
   78   HG23  ILE   9          HG23      ILE   9  -5.698   6.834  -0.740
   79   HD11  ILE   9          HD11      ILE   9  -4.859   5.303   2.136
   80   HD12  ILE   9          HD12      ILE   9  -4.474   3.584   2.043
   81   HD13  ILE   9          HD13      ILE   9  -5.721   4.150   3.156
   82    H    ILE  10           HN       ILE  10  -4.056   3.688  -2.681
   83    HA   ILE  10           HA       ILE  10  -3.673   0.830  -2.123
   84    HB   ILE  10           HB       ILE  10  -2.205   0.773  -3.991
   85   HG12  ILE  10          HG12      ILE  10  -1.970   3.264  -5.109
   86   HG13  ILE  10          HG11      ILE  10  -1.906   3.662  -3.396
   87   HG21  ILE  10          HG21      ILE  10  -4.827   1.624  -4.211
   88   HG22  ILE  10          HG22      ILE  10  -3.825   1.047  -5.541
   89   HG23  ILE  10          HG23      ILE  10  -3.953   2.776  -5.220
   90   HD11  ILE  10          HD11      ILE  10  -0.066   1.885  -4.987
   91   HD12  ILE  10          HD12      ILE  10  -0.195   1.700  -3.239
   92   HD13  ILE  10          HD13      ILE  10   0.346   3.231  -3.926
   93    H    PHE  11           HN       PHE  11  -1.706   0.038  -1.265
   94    HA   PHE  11           HA       PHE  11  -0.249   2.030   0.348
   95    HB2  PHE  11           HB2      PHE  11  -1.372  -0.485   0.981
   96    HB3  PHE  11           HB1      PHE  11   0.380  -0.677   1.054
   97    HD1  PHE  11           HD1      PHE  11  -2.271   1.786   2.046
   98    HD2  PHE  11           HD2      PHE  11   1.468  -0.086   3.035
   99    HE1  PHE  11           HE1      PHE  11  -2.234   3.001   4.208
  100    HE2  PHE  11           HE2      PHE  11   1.504   1.129   5.196
  101    HZ   PHE  11           HZ       PHE  11  -0.346   2.672   5.784
  102    H    ASN  12           HN       ASN  12   1.765   2.529  -0.176
  103    HA   ASN  12           HA       ASN  12   3.423   0.550  -1.595
  104    HB2  ASN  12           HB2      ASN  12   4.328   2.500  -2.957
  105    HB3  ASN  12           HB1      ASN  12   2.705   1.957  -3.373
  106   HD21  ASN  12          HD21      ASN  12   3.270   3.797  -0.411
  107   HD22  ASN  12          HD22      ASN  12   2.510   5.224  -0.944
  108    H    GLU  13           HN       GLU  13   4.272   0.298   0.603
  109    HA   GLU  13           HA       GLU  13   5.709   2.537   1.765
  110    HB2  GLU  13           HB2      GLU  13   4.524   0.362   2.868
  111    HB3  GLU  13           HB1      GLU  13   6.197  -0.192   2.792
  112    HG2  GLU  13           HG2      GLU  13   6.801   2.101   3.816
  113    HG3  GLU  13           HG1      GLU  13   5.088   2.228   4.212
  114    H    ARG  14           HN       ARG  14   7.964   2.636   2.062
  115    HA   ARG  14           HA       ARG  14   9.536   1.881  -0.145
  116    HB2  ARG  14           HB2      ARG  14  10.019   3.748   1.502
  117    HB3  ARG  14           HB1      ARG  14  10.594   2.506   2.617
  118    HG2  ARG  14           HG2      ARG  14  12.150   1.721   0.775
  119    HG3  ARG  14           HG1      ARG  14  11.697   3.171  -0.123
  120    HD2  ARG  14           HD2      ARG  14  13.310   2.916   2.379
  121    HD3  ARG  14           HD1      ARG  14  13.555   3.971   0.991
  122    HE   ARG  14           HE       ARG  14  11.264   4.941   2.070
  123   HH11  ARG  14          HH11      ARG  14  11.190   6.494   3.725
  124   HH12  ARG  14          HH12      ARG  14  12.513   6.635   4.833
  125   HH21  ARG  14          HH21      ARG  14  14.358   4.091   3.367
  126   HH22  ARG  14          HH22      ARG  14  14.306   5.274   4.632
  Start of MODEL    5
    1    H1   GLY   1           HN       GLY   1   8.899  -0.851   0.055
    2    HA2  GLY   1           HA2      GLY   1  10.106  -2.673   1.344
    3    HA3  GLY   1           HA1      GLY   1   9.826  -1.650   2.750
    4    H    SER   2           HN       SER   2   7.178  -0.824   1.582
    5    HA   SER   2           HA       SER   2   5.668  -3.289   2.228
    6    HB2  SER   2           HB2      SER   2   4.767  -0.455   2.754
    7    HB3  SER   2           HB1      SER   2   4.005  -1.942   3.308
    8    HG   SER   2           HG       SER   2   5.464  -2.124   4.834
    9    H    LYS   3           HN       LYS   3   4.319  -3.996   0.704
   10    HA   LYS   3           HA       LYS   3   3.280  -2.091  -1.290
   11    HB2  LYS   3           HB2      LYS   3   4.509  -4.784  -1.928
   12    HB3  LYS   3           HB1      LYS   3   3.721  -3.712  -3.086
   13    HG2  LYS   3           HG2      LYS   3   5.387  -1.969  -2.652
   14    HG3  LYS   3           HG1      LYS   3   6.156  -2.985  -1.432
   15    HD2  LYS   3           HD2      LYS   3   5.785  -4.143  -4.160
   16    HD3  LYS   3           HD1      LYS   3   7.044  -2.924  -3.950
   17    HE2  LYS   3           HE2      LYS   3   6.754  -5.440  -2.281
   18    HE3  LYS   3           HE1      LYS   3   7.926  -5.209  -3.580
   19    HZ1  LYS   3           HZ1      LYS   3   8.717  -3.219  -2.308
   20    HZ2  LYS   3           HZ2      LYS   3   9.027  -4.718  -1.568
   21    HZ3  LYS   3           HZ3      LYS   3   7.754  -3.739  -1.012
   22    H    ARG   4           HN       ARG   4   1.186  -2.135  -0.630
   23    HA   ARG   4           HA       ARG   4  -0.247  -4.661  -0.998
   24    HB2  ARG   4           HB2      ARG   4   0.141  -3.299   1.583
   25    HB3  ARG   4           HB1      ARG   4  -1.537  -3.690   1.211
   26    HG2  ARG   4           HG2      ARG   4   0.670  -5.725   0.880
   27    HG3  ARG   4           HG1      ARG   4  -0.145  -5.493   2.426
   28    HD2  ARG   4           HD2      ARG   4  -1.991  -5.720   0.149
   29    HD3  ARG   4           HD1      ARG   4  -1.019  -7.164   0.416
   30    HE   ARG   4           HE       ARG   4  -3.059  -6.089   2.193
   31   HH11  ARG   4          HH11      ARG   4  -3.577  -7.428   3.954
   32   HH12  ARG   4          HH12      ARG   4  -2.559  -8.775   4.339
   33   HH21  ARG   4          HH21      ARG   4  -0.331  -8.172   1.752
   34   HH22  ARG   4          HH22      ARG   4  -0.722  -9.197   3.093
   35    H    PHE   5           HN       PHE   5  -2.740  -4.052  -0.450
   36    HA   PHE   5           HA       PHE   5  -3.339  -1.445  -1.687
   37    HB2  PHE   5           HB2      PHE   5  -5.156  -3.576  -2.518
   38    HB3  PHE   5           HB1      PHE   5  -4.359  -2.336  -3.485
   39    HD1  PHE   5           HD1      PHE   5  -4.477  -5.802  -2.772
   40    HD2  PHE   5           HD2      PHE   5  -1.748  -2.642  -3.784
   41    HE1  PHE   5           HE1      PHE   5  -2.841  -7.477  -3.586
   42    HE2  PHE   5           HE2      PHE   5  -0.112  -4.318  -4.599
   43    HZ   PHE   5           HZ       PHE   5  -0.657  -6.735  -4.500
   44    H    ARG   6           HN       ARG   6  -5.139  -0.423  -0.889
   45    HA   ARG   6           HA       ARG   6  -6.907  -1.955   0.897
   46    HB2  ARG   6           HB2      ARG   6  -5.551   0.641   1.674
   47    HB3  ARG   6           HB1      ARG   6  -6.794  -0.184   2.611
   48    HG2  ARG   6           HG2      ARG   6  -5.331  -2.184   2.759
   49    HG3  ARG   6           HG1      ARG   6  -4.077  -1.311   1.877
   50    HD2  ARG   6           HD2      ARG   6  -3.353  -0.533   3.861
   51    HD3  ARG   6           HD1      ARG   6  -4.827   0.429   3.935
   52    HE   ARG   6           HE       ARG   6  -5.559  -0.990   5.606
   53   HH11  ARG   6          HH11      ARG   6  -5.507  -2.874   6.872
   54   HH12  ARG   6          HH12      ARG   6  -4.451  -4.175   6.436
   55   HH21  ARG   6          HH21      ARG   6  -3.175  -2.557   3.647
   56   HH22  ARG   6          HH22      ARG   6  -3.130  -3.996   4.611
   57    HA   DPR   7           HA       DPR   7 -10.362  -0.259  -1.193
   58    HB2  DPR   7           HB1      DPR   7  -8.648  -0.047  -3.649
   59    HB3  DPR   7           HB2      DPR   7 -10.337  -0.574  -3.502
   60    HG2  DPR   7           HG1      DPR   7  -8.262  -2.298  -3.655
   61    HG3  DPR   7           HG2      DPR   7  -9.746  -2.655  -2.757
   62    HD2  DPR   7           HD1      DPR   7  -7.041  -2.165  -1.734
   63    HD3  DPR   7           HD2      DPR   7  -8.461  -2.781  -0.864
   64    HA   PRO   8           HA       PRO   8 -10.464   4.192  -1.547
   65    HB2  PRO   8           HB2      PRO   8  -9.511   4.194   1.291
   66    HB3  PRO   8           HB1      PRO   8 -10.866   5.072   0.558
   67    HG2  PRO   8           HG2      PRO   8 -11.186   2.853   2.054
   68    HG3  PRO   8           HG1      PRO   8 -12.284   3.313   0.742
   69    HD2  PRO   8           HD2      PRO   8 -10.377   1.066   0.849
   70    HD3  PRO   8           HD1      PRO   8 -11.733   1.340  -0.269
   71    H    ILE   9           HN       ILE   9  -7.641   2.545  -0.234
   72    HA   ILE   9           HA       ILE   9  -5.929   4.513  -1.558
   73    HB   ILE   9           HB       ILE   9  -4.466   4.514   0.576
   74   HG12  ILE   9          HG12      ILE   9  -6.893   4.314   2.207
   75   HG13  ILE   9          HG11      ILE   9  -6.441   2.781   1.465
   76   HG21  ILE   9          HG21      ILE   9  -7.143   5.938   0.582
   77   HG22  ILE   9          HG22      ILE   9  -5.712   6.473  -0.300
   78   HG23  ILE   9          HG23      ILE   9  -5.700   6.439   1.463
   79   HD11  ILE   9          HD11      ILE   9  -5.382   3.265   3.736
   80   HD12  ILE   9          HD12      ILE   9  -4.449   4.523   2.925
   81   HD13  ILE   9          HD13      ILE   9  -4.262   2.838   2.442
   82    H    ILE  10           HN       ILE  10  -3.882   3.779  -2.088
   83    HA   ILE  10           HA       ILE  10  -3.565   0.858  -1.956
   84    HB   ILE  10           HB       ILE  10  -1.974   1.137  -3.830
   85   HG12  ILE  10          HG12      ILE  10  -2.782   3.894  -4.439
   86   HG13  ILE  10          HG11      ILE  10  -1.790   3.780  -2.988
   87   HG21  ILE  10          HG21      ILE  10  -4.018   2.558  -5.158
   88   HG22  ILE  10          HG22      ILE  10  -4.809   1.683  -3.846
   89   HG23  ILE  10          HG23      ILE  10  -3.841   0.807  -5.033
   90   HD11  ILE  10          HD11      ILE  10  -1.046   2.425  -5.585
   91   HD12  ILE  10          HD12      ILE  10  -0.026   2.675  -4.168
   92   HD13  ILE  10          HD13      ILE  10  -0.504   4.050  -5.164
   93    H    PHE  11           HN       PHE  11  -1.613  -0.085  -1.286
   94    HA   PHE  11           HA       PHE  11   0.022   1.657   0.441
   95    HB2  PHE  11           HB2      PHE  11  -1.090  -0.974   0.757
   96    HB3  PHE  11           HB1      PHE  11   0.668  -1.060   0.867
   97    HD1  PHE  11           HD1      PHE  11   1.716  -0.515   2.888
   98    HD2  PHE  11           HD2      PHE  11  -2.226   0.992   2.082
   99    HE1  PHE  11           HE1      PHE  11   1.617   0.449   5.170
  100    HE2  PHE  11           HE2      PHE  11  -2.325   1.956   4.364
  101    HZ   PHE  11           HZ       PHE  11  -0.403   1.684   5.909
  102    H    ASN  12           HN       ASN  12   1.707   2.417  -0.706
  103    HA   ASN  12           HA       ASN  12   3.476   0.433  -1.973
  104    HB2  ASN  12           HB2      ASN  12   2.157   2.765  -3.256
  105    HB3  ASN  12           HB1      ASN  12   3.853   2.495  -3.648
  106   HD21  ASN  12          HD21      ASN  12   1.338   0.026  -2.941
  107   HD22  ASN  12          HD22      ASN  12   1.453  -0.736  -4.459
  108    H    GLU  13           HN       GLU  13   4.642   0.728   0.047
  109    HA   GLU  13           HA       GLU  13   6.165   3.266   0.141
  110    HB2  GLU  13           HB2      GLU  13   4.734   1.853   2.186
  111    HB3  GLU  13           HB1      GLU  13   6.453   1.855   2.582
  112    HG2  GLU  13           HG2      GLU  13   6.552   4.278   2.327
  113    HG3  GLU  13           HG1      GLU  13   4.870   4.319   1.804
  114    H    ARG  14           HN       ARG  14   8.404   3.137   0.606
  115    HA   ARG  14           HA       ARG  14   9.819   1.130  -0.730
  116    HB2  ARG  14           HB2      ARG  14  10.760   3.353  -0.231
  117    HB3  ARG  14           HB1      ARG  14  10.815   2.941   1.484
  118    HG2  ARG  14           HG2      ARG  14  12.396   1.162   1.077
  119    HG3  ARG  14           HG1      ARG  14  12.219   1.338  -0.669
  120    HD2  ARG  14           HD2      ARG  14  14.254   2.468   0.596
  121    HD3  ARG  14           HD1      ARG  14  13.455   3.295  -0.739
  122    HE   ARG  14           HE       ARG  14  12.351   3.866   1.889
  123   HH11  ARG  14          HH11      ARG  14  12.547   6.029   2.553
  124   HH12  ARG  14          HH12      ARG  14  13.595   7.103   1.689
  125   HH21  ARG  14          HH21      ARG  14  14.610   4.699  -0.595
  126   HH22  ARG  14          HH22      ARG  14  14.764   6.350  -0.094
  Start of MODEL    6
    1    H1   GLY   1           HN       GLY   1   9.403   0.745  -2.596
    2    HA2  GLY   1           HA2      GLY   1   9.428  -0.991  -4.175
    3    HA3  GLY   1           HA1      GLY   1   9.887  -2.117  -2.898
    4    H    SER   2           HN       SER   2   7.198   0.179  -2.871
    5    HA   SER   2           HA       SER   2   4.907  -0.154  -2.990
    6    HB2  SER   2           HB2      SER   2   4.044  -2.029  -3.987
    7    HB3  SER   2           HB1      SER   2   5.716  -2.215  -4.502
    8    HG   SER   2           HG       SER   2   4.247  -3.800  -2.923
    9    H    LYS   3           HN       LYS   3   3.409  -2.227  -1.805
   10    HA   LYS   3           HA       LYS   3   4.378  -3.047   0.719
   11    HB2  LYS   3           HB2      LYS   3   4.329  -0.643   1.240
   12    HB3  LYS   3           HB1      LYS   3   2.633  -0.577   0.776
   13    HG2  LYS   3           HG2      LYS   3   1.964  -1.401   2.765
   14    HG3  LYS   3           HG1      LYS   3   3.131  -2.721   2.679
   15    HD2  LYS   3           HD2      LYS   3   3.904   0.109   3.422
   16    HD3  LYS   3           HD1      LYS   3   3.465  -1.111   4.617
   17    HE2  LYS   3           HE2      LYS   3   5.402  -2.134   2.690
   18    HE3  LYS   3           HE1      LYS   3   6.008  -0.713   3.541
   19    HZ1  LYS   3           HZ1      LYS   3   5.683  -3.344   4.505
   20    HZ2  LYS   3           HZ2      LYS   3   4.725  -2.285   5.427
   21    HZ3  LYS   3           HZ3      LYS   3   6.394  -2.010   5.273
   22    H    ARG   4           HN       ARG   4   1.204  -1.564   0.134
   23    HA   ARG   4           HA       ARG   4  -0.018  -4.151  -0.407
   24    HB2  ARG   4           HB2      ARG   4  -0.598  -2.609   2.131
   25    HB3  ARG   4           HB1      ARG   4  -1.615  -3.908   1.514
   26    HG2  ARG   4           HG2      ARG   4   0.509  -5.355   1.513
   27    HG3  ARG   4           HG1      ARG   4   1.240  -4.078   2.485
   28    HD2  ARG   4           HD2      ARG   4   0.273  -5.861   3.903
   29    HD3  ARG   4           HD1      ARG   4  -0.522  -4.312   4.168
   30    HE   ARG   4           HE       ARG   4  -2.477  -5.269   3.382
   31   HH11  ARG   4          HH11      ARG   4  -3.710  -6.917   2.424
   32   HH12  ARG   4          HH12      ARG   4  -2.915  -8.242   1.639
   33   HH21  ARG   4          HH21      ARG   4   0.278  -7.065   2.305
   34   HH22  ARG   4          HH22      ARG   4  -0.657  -8.325   1.572
   35    H    PHE   5           HN       PHE   5  -2.587  -3.721  -0.184
   36    HA   PHE   5           HA       PHE   5  -3.224  -1.101  -1.367
   37    HB2  PHE   5           HB2      PHE   5  -4.679  -3.313  -2.611
   38    HB3  PHE   5           HB1      PHE   5  -3.878  -1.930  -3.358
   39    HD1  PHE   5           HD1      PHE   5  -3.697  -5.448  -2.723
   40    HD2  PHE   5           HD2      PHE   5  -1.286  -1.968  -3.446
   41    HE1  PHE   5           HE1      PHE   5  -1.799  -6.900  -3.383
   42    HE2  PHE   5           HE2      PHE   5   0.613  -3.420  -4.107
   43    HZ   PHE   5           HZ       PHE   5   0.356  -5.887  -4.074
   44    H    ARG   6           HN       ARG   6  -5.218  -0.310  -0.814
   45    HA   ARG   6           HA       ARG   6  -7.073  -2.114   0.597
   46    HB2  ARG   6           HB2      ARG   6  -5.845   0.396   1.727
   47    HB3  ARG   6           HB1      ARG   6  -7.445  -0.131   2.238
   48    HG2  ARG   6           HG2      ARG   6  -5.242  -2.153   2.205
   49    HG3  ARG   6           HG1      ARG   6  -5.269  -0.965   3.507
   50    HD2  ARG   6           HD2      ARG   6  -7.295  -1.729   4.350
   51    HD3  ARG   6           HD1      ARG   6  -7.802  -2.404   2.806
   52    HE   ARG   6           HE       ARG   6  -6.705  -4.373   3.367
   53   HH11  ARG   6          HH11      ARG   6  -5.494  -5.693   4.763
   54   HH12  ARG   6          HH12      ARG   6  -4.654  -4.986   6.102
   55   HH21  ARG   6          HH21      ARG   6  -5.689  -1.755   5.390
   56   HH22  ARG   6          HH22      ARG   6  -4.765  -2.757   6.457
   57    HA   DPR   7           HA       DPR   7 -10.309  -0.607  -1.968
   58    HB2  DPR   7           HB1      DPR   7  -8.251   0.012  -4.067
   59    HB3  DPR   7           HB2      DPR   7  -9.872  -0.684  -4.259
   60    HG2  DPR   7           HG1      DPR   7  -7.635  -2.187  -4.195
   61    HG3  DPR   7           HG2      DPR   7  -9.189  -2.760  -3.571
   62    HD2  DPR   7           HD1      DPR   7  -6.736  -2.088  -2.102
   63    HD3  DPR   7           HD2      DPR   7  -8.179  -2.942  -1.519
   64    HA   PRO   8           HA       PRO   8 -10.854   3.817  -1.859
   65    HB2  PRO   8           HB2      PRO   8 -10.220   3.623   1.058
   66    HB3  PRO   8           HB1      PRO   8 -11.587   4.413   0.255
   67    HG2  PRO   8           HG2      PRO   8 -11.779   2.027   1.501
   68    HG3  PRO   8           HG1      PRO   8 -12.791   2.498   0.127
   69    HD2  PRO   8           HD2      PRO   8 -10.650   0.476   0.230
   70    HD3  PRO   8           HD1      PRO   8 -11.912   0.717  -0.999
   71    H    ILE   9           HN       ILE   9  -8.035   2.312  -0.397
   72    HA   ILE   9           HA       ILE   9  -6.409   4.586  -1.277
   73    HB   ILE   9           HB       ILE   9  -5.172   4.339   1.011
   74   HG12  ILE   9          HG12      ILE   9  -7.868   3.791   2.132
   75   HG13  ILE   9          HG11      ILE   9  -7.023   2.404   1.443
   76   HG21  ILE   9          HG21      ILE   9  -6.637   6.090   1.961
   77   HG22  ILE   9          HG22      ILE   9  -7.877   5.691   0.774
   78   HG23  ILE   9          HG23      ILE   9  -6.338   6.371   0.247
   79   HD11  ILE   9          HD11      ILE   9  -5.168   2.671   2.909
   80   HD12  ILE   9          HD12      ILE   9  -6.592   2.885   3.928
   81   HD13  ILE   9          HD13      ILE   9  -5.679   4.292   3.382
   82    H    ILE  10           HN       ILE  10  -4.274   4.096  -1.710
   83    HA   ILE  10           HA       ILE  10  -3.668   1.216  -1.855
   84    HB   ILE  10           HB       ILE  10  -2.228   1.696  -3.685
   85   HG12  ILE  10          HG12      ILE  10  -2.232   4.380  -4.236
   86   HG13  ILE  10          HG11      ILE  10  -2.173   4.402  -2.477
   87   HG21  ILE  10          HG21      ILE  10  -3.782   2.416  -5.238
   88   HG22  ILE  10          HG22      ILE  10  -4.345   3.740  -4.218
   89   HG23  ILE  10          HG23      ILE  10  -4.846   2.085  -3.872
   90   HD11  ILE  10          HD11      ILE  10  -0.217   3.174  -4.411
   91   HD12  ILE  10          HD12      ILE  10  -0.295   2.618  -2.740
   92   HD13  ILE  10          HD13      ILE  10   0.098   4.300  -3.092
   93    H    PHE  11           HN       PHE  11  -1.640   0.433  -1.183
   94    HA   PHE  11           HA       PHE  11  -0.180   2.217   0.674
   95    HB2  PHE  11           HB2      PHE  11  -1.387  -0.366   1.067
   96    HB3  PHE  11           HB1      PHE  11   0.355  -0.480   1.313
   97    HD1  PHE  11           HD1      PHE  11   1.483   1.083   2.933
   98    HD2  PHE  11           HD2      PHE  11  -2.790   0.772   2.616
   99    HE1  PHE  11           HE1      PHE  11   1.240   2.184   5.143
  100    HE2  PHE  11           HE2      PHE  11  -3.034   1.874   4.826
  101    HZ   PHE  11           HZ       PHE  11  -1.019   2.579   6.089
  102    H    ASN  12           HN       ASN  12   1.719   2.786  -0.200
  103    HA   ASN  12           HA       ASN  12   3.344   0.679  -1.465
  104    HB2  ASN  12           HB2      ASN  12   3.987   2.151  -3.276
  105    HB3  ASN  12           HB1      ASN  12   2.229   2.024  -3.240
  106   HD21  ASN  12          HD21      ASN  12   1.805   3.812  -0.971
  107   HD22  ASN  12          HD22      ASN  12   2.198   5.384  -1.496
  108    H    GLU  13           HN       GLU  13   5.331   0.597  -0.665
  109    HA   GLU  13           HA       GLU  13   6.535   3.044   0.458
  110    HB2  GLU  13           HB2      GLU  13   5.521   1.200   2.124
  111    HB3  GLU  13           HB1      GLU  13   7.099   0.471   1.835
  112    HG2  GLU  13           HG2      GLU  13   7.550   1.871   3.650
  113    HG3  GLU  13           HG1      GLU  13   8.002   2.891   2.285
  114    H    ARG  14           HN       ARG  14   8.838   1.476   1.389
  115    HA   ARG  14           HA       ARG  14  10.522   1.669  -0.817
  116    HB2  ARG  14           HB2      ARG  14  11.221   1.422   1.604
  117    HB3  ARG  14           HB1      ARG  14  10.897  -0.304   1.445
  118    HG2  ARG  14           HG2      ARG  14  13.029  -0.476   0.708
  119    HG3  ARG  14           HG1      ARG  14  12.436   0.243  -0.790
  120    HD2  ARG  14           HD2      ARG  14  13.754   1.630   1.546
  121    HD3  ARG  14           HD1      ARG  14  14.276   1.601  -0.136
  122    HE   ARG  14           HE       ARG  14  12.210   3.300   1.011
  123   HH11  ARG  14          HH11      ARG  14  11.394   4.882  -0.400
  124   HH12  ARG  14          HH12      ARG  14  11.751   4.792  -2.093
  125   HH21  ARG  14          HH21      ARG  14  13.643   1.900  -1.810
  126   HH22  ARG  14          HH22      ARG  14  13.024   3.104  -2.891
  Start of MODEL    7
    1    H1   GLY   1           HN       GLY   1   7.857   1.613   2.720
    2    HA2  GLY   1           HA2      GLY   1   8.512  -0.054   4.228
    3    HA3  GLY   1           HA1      GLY   1   7.631   0.783   5.503
    4    H    SER   2           HN       SER   2   6.009   0.268   2.501
    5    HA   SER   2           HA       SER   2   4.738  -2.205   3.402
    6    HB2  SER   2           HB2      SER   2   3.001   0.156   2.717
    7    HB3  SER   2           HB1      SER   2   2.540  -1.357   3.492
    8    HG   SER   2           HG       SER   2   3.702  -0.729   5.308
    9    H    LYS   3           HN       LYS   3   2.973  -2.820   1.728
   10    HA   LYS   3           HA       LYS   3   3.213  -1.825  -0.929
   11    HB2  LYS   3           HB2      LYS   3   4.236  -3.874  -1.934
   12    HB3  LYS   3           HB1      LYS   3   5.356  -2.927  -0.959
   13    HG2  LYS   3           HG2      LYS   3   5.361  -4.492   0.789
   14    HG3  LYS   3           HG1      LYS   3   3.826  -5.205   0.288
   15    HD2  LYS   3           HD2      LYS   3   6.156  -5.325  -1.593
   16    HD3  LYS   3           HD1      LYS   3   6.106  -6.442  -0.228
   17    HE2  LYS   3           HE2      LYS   3   3.616  -6.135  -1.845
   18    HE3  LYS   3           HE1      LYS   3   4.949  -7.036  -2.565
   19    HZ1  LYS   3           HZ1      LYS   3   4.609  -7.798   0.132
   20    HZ2  LYS   3           HZ2      LYS   3   4.502  -8.754  -1.268
   21    HZ3  LYS   3           HZ3      LYS   3   3.129  -7.939  -0.684
   22    H    ARG   4           HN       ARG   4   0.982  -2.061   0.386
   23    HA   ARG   4           HA       ARG   4  -0.332  -4.435  -0.781
   24    HB2  ARG   4           HB2      ARG   4  -1.160  -3.235   1.858
   25    HB3  ARG   4           HB1      ARG   4  -1.627  -4.789   1.168
   26    HG2  ARG   4           HG2      ARG   4   0.992  -5.220   1.223
   27    HG3  ARG   4           HG1      ARG   4   0.937  -3.997   2.494
   28    HD2  ARG   4           HD2      ARG   4  -0.869  -5.340   3.612
   29    HD3  ARG   4           HD1      ARG   4  -0.610  -6.600   2.409
   30    HE   ARG   4           HE       ARG   4   1.017  -6.096   4.702
   31   HH11  ARG   4          HH11      ARG   4   2.927  -7.308   4.903
   32   HH12  ARG   4          HH12      ARG   4   3.585  -8.115   3.519
   33   HH21  ARG   4          HH21      ARG   4   1.086  -7.036   1.371
   34   HH22  ARG   4          HH22      ARG   4   2.542  -7.961   1.520
   35    H    PHE   5           HN       PHE   5  -2.603  -4.139  -1.236
   36    HA   PHE   5           HA       PHE   5  -3.251  -1.320  -1.833
   37    HB2  PHE   5           HB2      PHE   5  -4.886  -3.449  -3.056
   38    HB3  PHE   5           HB1      PHE   5  -4.185  -2.004  -3.785
   39    HD1  PHE   5           HD1      PHE   5  -4.077  -5.445  -3.957
   40    HD2  PHE   5           HD2      PHE   5  -1.422  -2.086  -3.587
   41    HE1  PHE   5           HE1      PHE   5  -2.228  -6.802  -4.899
   42    HE2  PHE   5           HE2      PHE   5   0.426  -3.445  -4.529
   43    HZ   PHE   5           HZ       PHE   5   0.024  -5.802  -5.185
   44    H    ARG   6           HN       ARG   6  -5.150  -0.422  -1.126
   45    HA   ARG   6           HA       ARG   6  -7.037  -2.153   0.328
   46    HB2  ARG   6           HB2      ARG   6  -5.572   0.220   1.476
   47    HB3  ARG   6           HB1      ARG   6  -7.167  -0.229   2.068
   48    HG2  ARG   6           HG2      ARG   6  -5.093  -2.371   1.810
   49    HG3  ARG   6           HG1      ARG   6  -4.985  -1.251   3.167
   50    HD2  ARG   6           HD2      ARG   6  -7.648  -2.467   2.570
   51    HD3  ARG   6           HD1      ARG   6  -6.429  -3.487   3.327
   52    HE   ARG   6           HE       ARG   6  -7.900  -1.407   4.603
   53   HH11  ARG   6          HH11      ARG   6  -7.304  -0.851   6.722
   54   HH12  ARG   6          HH12      ARG   6  -5.746  -1.310   7.325
   55   HH21  ARG   6          HH21      ARG   6  -4.775  -2.879   4.389
   56   HH22  ARG   6          HH22      ARG   6  -4.314  -2.457   6.005
   57    HA   DPR   7           HA       DPR   7 -10.385  -0.336  -1.816
   58    HB2  DPR   7           HB1      DPR   7  -8.561  -0.079  -4.186
   59    HB3  DPR   7           HB2      DPR   7 -10.243  -0.640  -4.116
   60    HG2  DPR   7           HG1      DPR   7  -8.103  -2.307  -4.209
   61    HG3  DPR   7           HG2      DPR   7  -9.638  -2.729  -3.435
   62    HD2  DPR   7           HD1      DPR   7  -7.026  -2.252  -2.197
   63    HD3  DPR   7           HD2      DPR   7  -8.508  -2.886  -1.450
   64    HA   PRO   8           HA       PRO   8 -10.186   4.089  -2.111
   65    HB2  PRO   8           HB2      PRO   8 -10.035   4.765   0.600
   66    HB3  PRO   8           HB1      PRO   8 -11.531   4.444  -0.296
   67    HG2  PRO   8           HG2      PRO   8  -9.991   2.676   1.519
   68    HG3  PRO   8           HG1      PRO   8 -11.741   2.794   1.262
   69    HD2  PRO   8           HD2      PRO   8 -10.285   0.753   0.224
   70    HD3  PRO   8           HD1      PRO   8 -11.701   1.420  -0.619
   71    H    ILE   9           HN       ILE   9  -7.815   2.491  -0.042
   72    HA   ILE   9           HA       ILE   9  -5.851   4.575  -0.784
   73    HB   ILE   9           HB       ILE   9  -4.777   3.868   1.500
   74   HG12  ILE   9          HG12      ILE   9  -7.589   3.554   2.415
   75   HG13  ILE   9          HG11      ILE   9  -6.876   2.161   1.602
   76   HG21  ILE   9          HG21      ILE   9  -5.368   6.097   1.411
   77   HG22  ILE   9          HG22      ILE   9  -6.556   5.536   2.588
   78   HG23  ILE   9          HG23      ILE   9  -7.019   5.749   0.899
   79   HD11  ILE   9          HD11      ILE   9  -6.505   2.139   4.077
   80   HD12  ILE   9          HD12      ILE   9  -5.581   3.632   3.912
   81   HD13  ILE   9          HD13      ILE   9  -5.002   2.149   3.153
   82    H    ILE  10           HN       ILE  10  -3.742   3.901  -1.156
   83    HA   ILE  10           HA       ILE  10  -3.364   0.980  -1.416
   84    HB   ILE  10           HB       ILE  10  -3.617   2.314  -3.593
   85   HG12  ILE  10          HG12      ILE  10  -1.252   0.564  -2.914
   86   HG13  ILE  10          HG11      ILE  10  -2.740   0.122  -3.754
   87   HG21  ILE  10          HG21      ILE  10  -1.864   3.697  -4.320
   88   HG22  ILE  10          HG22      ILE  10  -0.745   3.080  -3.109
   89   HG23  ILE  10          HG23      ILE  10  -2.051   4.165  -2.632
   90   HD11  ILE  10          HD11      ILE  10  -0.353   1.618  -4.785
   91   HD12  ILE  10          HD12      ILE  10  -1.938   1.943  -5.489
   92   HD13  ILE  10          HD13      ILE  10  -1.267   0.314  -5.544
   93    H    PHE  11           HN       PHE  11  -1.895   0.258  -0.042
   94    HA   PHE  11           HA       PHE  11   0.020   2.079   1.171
   95    HB2  PHE  11           HB2      PHE  11  -0.794  -0.774   1.640
   96    HB3  PHE  11           HB1      PHE  11   0.711  -0.163   2.323
   97    HD1  PHE  11           HD1      PHE  11   0.532   2.170   3.551
   98    HD2  PHE  11           HD2      PHE  11  -2.781  -0.470   2.832
   99    HE1  PHE  11           HE1      PHE  11  -0.737   3.264   5.379
  100    HE2  PHE  11           HE2      PHE  11  -4.049   0.624   4.661
  101    HZ   PHE  11           HZ       PHE  11  -3.026   2.491   5.934
  102    H    ASN  12           HN       ASN  12   1.090   2.492  -0.939
  103    HA   ASN  12           HA       ASN  12   2.886   0.314  -1.782
  104    HB2  ASN  12           HB2      ASN  12   1.916   1.083  -3.725
  105    HB3  ASN  12           HB1      ASN  12   1.766   2.733  -3.122
  106   HD21  ASN  12          HD21      ASN  12   4.724   0.705  -3.112
  107   HD22  ASN  12          HD22      ASN  12   5.615   1.734  -4.135
  108    H    GLU  13           HN       GLU  13   4.799   0.317  -0.786
  109    HA   GLU  13           HA       GLU  13   6.914   1.087  -0.241
  110    HB2  GLU  13           HB2      GLU  13   6.255   2.897  -2.095
  111    HB3  GLU  13           HB1      GLU  13   6.224   3.948  -0.679
  112    HG2  GLU  13           HG2      GLU  13   8.516   2.798  -0.119
  113    HG3  GLU  13           HG1      GLU  13   8.525   2.405  -1.838
  114    H    ARG  14           HN       ARG  14   7.408   3.679   1.012
  115    HA   ARG  14           HA       ARG  14   7.468   4.505   3.158
  116    HB2  ARG  14           HB2      ARG  14   5.269   5.375   2.447
  117    HB3  ARG  14           HB1      ARG  14   4.504   3.889   3.011
  118    HG2  ARG  14           HG2      ARG  14   4.588   4.534   5.182
  119    HG3  ARG  14           HG1      ARG  14   6.230   5.158   5.026
  120    HD2  ARG  14           HD2      ARG  14   4.641   6.976   5.524
  121    HD3  ARG  14           HD1      ARG  14   5.366   7.188   3.934
  122    HE   ARG  14           HE       ARG  14   3.107   5.853   3.327
  123   HH11  ARG  14          HH11      ARG  14   1.066   6.797   3.019
  124   HH12  ARG  14          HH12      ARG  14   0.677   8.286   3.815
  125   HH21  ARG  14          HH21      ARG  14   3.757   8.557   5.386
  126   HH22  ARG  14          HH22      ARG  14   2.200   9.282   5.154
  Start of MODEL    8
    1    H1   GLY   1           HN       GLY   1   9.139  -1.206   0.128
    2    HA2  GLY   1           HA2      GLY   1   9.782  -2.997   1.603
    3    HA3  GLY   1           HA1      GLY   1   9.753  -1.854   2.942
    4    H    SER   2           HN       SER   2   7.147  -0.995   1.233
    5    HA   SER   2           HA       SER   2   5.355  -3.028   2.396
    6    HB2  SER   2           HB2      SER   2   5.637  -0.290   3.250
    7    HB3  SER   2           HB1      SER   2   4.023  -0.554   2.596
    8    HG   SER   2           HG       SER   2   4.744  -2.660   4.078
    9    H    LYS   3           HN       LYS   3   4.550  -3.916   0.587
   10    HA   LYS   3           HA       LYS   3   3.403  -2.104  -1.455
   11    HB2  LYS   3           HB2      LYS   3   5.283  -3.315  -2.396
   12    HB3  LYS   3           HB1      LYS   3   4.637  -4.846  -1.805
   13    HG2  LYS   3           HG2      LYS   3   2.854  -4.833  -3.336
   14    HG3  LYS   3           HG1      LYS   3   2.987  -3.096  -3.615
   15    HD2  LYS   3           HD2      LYS   3   3.869  -4.399  -5.532
   16    HD3  LYS   3           HD1      LYS   3   5.128  -3.425  -4.772
   17    HE2  LYS   3           HE2      LYS   3   6.120  -5.290  -3.736
   18    HE3  LYS   3           HE1      LYS   3   4.668  -6.274  -3.910
   19    HZ1  LYS   3           HZ1      LYS   3   6.826  -5.882  -5.743
   20    HZ2  LYS   3           HZ2      LYS   3   5.318  -5.579  -6.465
   21    HZ3  LYS   3           HZ3      LYS   3   5.625  -7.080  -5.730
   22    H    ARG   4           HN       ARG   4   1.385  -2.066  -0.382
   23    HA   ARG   4           HA       ARG   4  -0.179  -4.536  -0.756
   24    HB2  ARG   4           HB2      ARG   4   0.580  -3.738   1.732
   25    HB3  ARG   4           HB1      ARG   4  -0.941  -2.863   1.558
   26    HG2  ARG   4           HG2      ARG   4  -1.616  -4.933   2.450
   27    HG3  ARG   4           HG1      ARG   4  -1.899  -5.129   0.721
   28    HD2  ARG   4           HD2      ARG   4  -0.666  -7.025   0.970
   29    HD3  ARG   4           HD1      ARG   4   0.706  -5.925   0.910
   30    HE   ARG   4           HE       ARG   4   1.003  -6.228   3.212
   31   HH11  ARG   4          HH11      ARG   4   0.593  -7.355   5.141
   32   HH12  ARG   4          HH12      ARG   4  -0.837  -8.322   5.286
   33   HH21  ARG   4          HH21      ARG   4  -1.971  -7.598   2.091
   34   HH22  ARG   4          HH22      ARG   4  -2.287  -8.460   3.559
   35    H    PHE   5           HN       PHE   5  -2.612  -3.954  -0.445
   36    HA   PHE   5           HA       PHE   5  -3.199  -1.279  -1.524
   37    HB2  PHE   5           HB2      PHE   5  -4.866  -3.370  -2.695
   38    HB3  PHE   5           HB1      PHE   5  -4.020  -2.035  -3.479
   39    HD1  PHE   5           HD1      PHE   5  -4.084  -5.559  -2.997
   40    HD2  PHE   5           HD2      PHE   5  -1.412  -2.258  -3.642
   41    HE1  PHE   5           HE1      PHE   5  -2.340  -7.128  -3.799
   42    HE2  PHE   5           HE2      PHE   5   0.332  -3.828  -4.443
   43    HZ   PHE   5           HZ       PHE   5  -0.131  -6.262  -4.521
   44    H    ARG   6           HN       ARG   6  -5.090  -0.394  -0.798
   45    HA   ARG   6           HA       ARG   6  -6.940  -2.125   0.705
   46    HB2  ARG   6           HB2      ARG   6  -5.508   0.297   1.794
   47    HB3  ARG   6           HB1      ARG   6  -7.074  -0.195   2.427
   48    HG2  ARG   6           HG2      ARG   6  -4.936  -2.272   2.148
   49    HG3  ARG   6           HG1      ARG   6  -4.840  -1.136   3.491
   50    HD2  ARG   6           HD2      ARG   6  -7.474  -2.439   2.964
   51    HD3  ARG   6           HD1      ARG   6  -6.207  -3.418   3.695
   52    HE   ARG   6           HE       ARG   6  -7.705  -1.371   4.994
   53   HH11  ARG   6          HH11      ARG   6  -7.077  -0.797   7.100
   54   HH12  ARG   6          HH12      ARG   6  -5.496  -1.220   7.671
   55   HH21  ARG   6          HH21      ARG   6  -4.554  -2.773   4.717
   56   HH22  ARG   6          HH22      ARG   6  -4.069  -2.338   6.323
   57    HA   DPR   7           HA       DPR   7 -10.274  -0.376  -1.555
   58    HB2  DPR   7           HB1      DPR   7  -8.355   0.162  -3.803
   59    HB3  DPR   7           HB2      DPR   7 -10.023  -0.440  -3.874
   60    HG2  DPR   7           HG1      DPR   7  -7.865  -2.061  -4.002
   61    HG3  DPR   7           HG2      DPR   7  -9.405  -2.564  -3.289
   62    HD2  DPR   7           HD1      DPR   7  -6.829  -2.085  -1.972
   63    HD3  DPR   7           HD2      DPR   7  -8.290  -2.842  -1.306
   64    HA   PRO   8           HA       PRO   8 -10.539   4.064  -1.315
   65    HB2  PRO   8           HB2      PRO   8  -9.638   3.780   1.523
   66    HB3  PRO   8           HB1      PRO   8 -11.031   4.659   0.867
   67    HG2  PRO   8           HG2      PRO   8 -11.233   2.264   2.095
   68    HG3  PRO   8           HG1      PRO   8 -12.349   2.818   0.837
   69    HD2  PRO   8           HD2      PRO   8 -10.330   0.676   0.695
   70    HD3  PRO   8           HD1      PRO   8 -11.688   1.015  -0.399
   71    H    ILE   9           HN       ILE   9  -7.686   2.378  -0.141
   72    HA   ILE   9           HA       ILE   9  -6.015   4.550  -1.171
   73    HB   ILE   9           HB       ILE   9  -4.595   4.256   0.996
   74   HG12  ILE   9          HG12      ILE   9  -7.183   3.841   2.385
   75   HG13  ILE   9          HG11      ILE   9  -6.500   2.413   1.606
   76   HG21  ILE   9          HG21      ILE   9  -5.755   6.334   0.323
   77   HG22  ILE   9          HG22      ILE   9  -5.860   6.080   2.065
   78   HG23  ILE   9          HG23      ILE   9  -7.248   5.727   1.037
   79   HD11  ILE   9          HD11      ILE   9  -4.458   2.604   2.844
   80   HD12  ILE   9          HD12      ILE   9  -5.766   2.792   4.012
   81   HD13  ILE   9          HD13      ILE   9  -4.890   4.209   3.432
   82    H    ILE  10           HN       ILE  10  -3.966   3.930  -1.792
   83    HA   ILE  10           HA       ILE  10  -3.523   1.016  -1.911
   84    HB   ILE  10           HB       ILE  10  -2.268   1.360  -3.901
   85   HG12  ILE  10          HG12      ILE  10  -2.226   4.020  -4.564
   86   HG13  ILE  10          HG11      ILE  10  -1.976   4.105  -2.825
   87   HG21  ILE  10          HG21      ILE  10  -4.512   3.387  -4.044
   88   HG22  ILE  10          HG22      ILE  10  -4.782   1.644  -4.033
   89   HG23  ILE  10          HG23      ILE  10  -3.880   2.387  -5.353
   90   HD11  ILE  10          HD11      ILE  10   0.209   3.880  -3.676
   91   HD12  ILE  10          HD12      ILE  10  -0.293   2.717  -4.903
   92   HD13  ILE  10          HD13      ILE  10  -0.209   2.233  -3.210
   93    H    PHE  11           HN       PHE  11  -1.481   0.158  -1.407
   94    HA   PHE  11           HA       PHE  11   0.243   1.947   0.201
   95    HB2  PHE  11           HB2      PHE  11  -0.948  -0.656   0.765
   96    HB3  PHE  11           HB1      PHE  11   0.800  -0.648   1.004
   97    HD1  PHE  11           HD1      PHE  11   1.795   1.332   2.358
   98    HD2  PHE  11           HD2      PHE  11  -2.367   0.267   2.392
   99    HE1  PHE  11           HE1      PHE  11   1.497   2.568   4.488
  100    HE2  PHE  11           HE2      PHE  11  -2.664   1.503   4.522
  101    HZ   PHE  11           HZ       PHE  11  -0.733   2.653   5.570
  102    H    ASN  12           HN       ASN  12   1.908   2.466  -1.095
  103    HA   ASN  12           HA       ASN  12   3.480   0.249  -2.229
  104    HB2  ASN  12           HB2      ASN  12   2.205   1.151  -4.085
  105    HB3  ASN  12           HB1      ASN  12   2.698   2.794  -3.662
  106   HD21  ASN  12          HD21      ASN  12   3.483   2.307  -6.205
  107   HD22  ASN  12          HD22      ASN  12   5.112   1.829  -6.295
  108    H    GLU  13           HN       GLU  13   4.393   1.002   0.022
  109    HA   GLU  13           HA       GLU  13   6.238   3.272  -0.350
  110    HB2  GLU  13           HB2      GLU  13   5.484   1.792   2.181
  111    HB3  GLU  13           HB1      GLU  13   6.502   3.229   2.080
  112    HG2  GLU  13           HG2      GLU  13   4.161   3.872   0.659
  113    HG3  GLU  13           HG1      GLU  13   3.613   3.045   2.116
  114    H    ARG  14           HN       ARG  14   8.430   2.997   0.597
  115    HA   ARG  14           HA       ARG  14   9.772   0.806  -0.569
  116    HB2  ARG  14           HB2      ARG  14  10.757   3.074  -0.002
  117    HB3  ARG  14           HB1      ARG  14  10.844   2.526   1.673
  118    HG2  ARG  14           HG2      ARG  14  12.124   0.496   0.798
  119    HG3  ARG  14           HG1      ARG  14  12.251   1.358  -0.735
  120    HD2  ARG  14           HD2      ARG  14  13.680   1.815   1.789
  121    HD3  ARG  14           HD1      ARG  14  14.124   2.275   0.148
  122    HE   ARG  14           HE       ARG  14  12.151   4.025   0.682
  123   HH11  ARG  14          HH11      ARG  14  12.400   5.992   1.790
  124   HH12  ARG  14          HH12      ARG  14  13.675   6.173   2.947
  125   HH21  ARG  14          HH21      ARG  14  14.893   2.957   2.505
  126   HH22  ARG  14          HH22      ARG  14  15.087   4.454   3.352
  Start of MODEL    9
    1    H1   GLY   1           HN       GLY   1   8.238   0.962   1.292
    2    HA2  GLY   1           HA2      GLY   1   9.402  -0.949   2.015
    3    HA3  GLY   1           HA1      GLY   1   9.053  -0.507   3.684
    4    H    SER   2           HN       SER   2   6.580  -0.587   1.197
    5    HA   SER   2           HA       SER   2   5.619  -3.201   2.085
    6    HB2  SER   2           HB2      SER   2   4.270  -0.602   2.667
    7    HB3  SER   2           HB1      SER   2   3.270  -1.995   2.263
    8    HG   SER   2           HG       SER   2   4.583  -3.121   3.905
    9    H    LYS   3           HN       LYS   3   3.994  -4.094   0.711
   10    HA   LYS   3           HA       LYS   3   3.586  -2.708  -1.862
   11    HB2  LYS   3           HB2      LYS   3   4.487  -5.579  -1.517
   12    HB3  LYS   3           HB1      LYS   3   4.009  -4.844  -3.046
   13    HG2  LYS   3           HG2      LYS   3   5.892  -3.072  -1.951
   14    HG3  LYS   3           HG1      LYS   3   6.551  -4.680  -1.656
   15    HD2  LYS   3           HD2      LYS   3   7.316  -3.974  -3.833
   16    HD3  LYS   3           HD1      LYS   3   6.091  -5.219  -4.080
   17    HE2  LYS   3           HE2      LYS   3   4.963  -3.764  -5.374
   18    HE3  LYS   3           HE1      LYS   3   4.681  -2.780  -3.937
   19    HZ1  LYS   3           HZ1      LYS   3   6.600  -1.519  -4.353
   20    HZ2  LYS   3           HZ2      LYS   3   5.820  -1.650  -5.858
   21    HZ3  LYS   3           HZ3      LYS   3   7.180  -2.609  -5.515
   22    H    ARG   4           HN       ARG   4   1.590  -2.548  -0.173
   23    HA   ARG   4           HA       ARG   4  -0.295  -4.681  -0.993
   24    HB2  ARG   4           HB2      ARG   4   0.411  -3.741   1.681
   25    HB3  ARG   4           HB1      ARG   4  -1.323  -3.667   1.366
   26    HG2  ARG   4           HG2      ARG   4  -0.682  -5.858   2.295
   27    HG3  ARG   4           HG1      ARG   4  -1.303  -6.022   0.652
   28    HD2  ARG   4           HD2      ARG   4   0.731  -6.635  -0.199
   29    HD3  ARG   4           HD1      ARG   4   1.622  -5.585   0.899
   30    HE   ARG   4           HE       ARG   4   1.023  -8.354   1.315
   31   HH11  ARG   4          HH11      ARG   4   1.645  -9.246   3.309
   32   HH12  ARG   4          HH12      ARG   4   2.014  -8.203   4.641
   33   HH21  ARG   4          HH21      ARG   4   1.403  -5.286   2.870
   34   HH22  ARG   4          HH22      ARG   4   1.878  -5.961   4.392
   35    H    PHE   5           HN       PHE   5  -2.579  -3.986  -0.945
   36    HA   PHE   5           HA       PHE   5  -2.932  -1.092  -1.397
   37    HB2  PHE   5           HB2      PHE   5  -4.042  -3.287  -3.158
   38    HB3  PHE   5           HB1      PHE   5  -4.333  -1.557  -3.347
   39    HD1  PHE   5           HD1      PHE   5  -2.657  -0.091  -4.274
   40    HD2  PHE   5           HD2      PHE   5  -1.775  -4.229  -3.531
   41    HE1  PHE   5           HE1      PHE   5  -0.566   0.118  -5.592
   42    HE2  PHE   5           HE2      PHE   5   0.316  -4.019  -4.849
   43    HZ   PHE   5           HZ       PHE   5   0.920  -1.846  -5.879
   44    H    ARG   6           HN       ARG   6  -4.958  -0.261  -0.869
   45    HA   ARG   6           HA       ARG   6  -6.922  -2.143   0.249
   46    HB2  ARG   6           HB2      ARG   6  -5.954   0.315   1.727
   47    HB3  ARG   6           HB1      ARG   6  -7.171  -0.833   2.280
   48    HG2  ARG   6           HG2      ARG   6  -5.337  -2.628   2.000
   49    HG3  ARG   6           HG1      ARG   6  -4.209  -1.273   1.928
   50    HD2  ARG   6           HD2      ARG   6  -5.560  -0.521   4.103
   51    HD3  ARG   6           HD1      ARG   6  -5.856  -2.252   4.218
   52    HE   ARG   6           HE       ARG   6  -3.356  -0.908   4.691
   53   HH11  ARG   6          HH11      ARG   6  -1.596  -2.236   5.238
   54   HH12  ARG   6          HH12      ARG   6  -1.680  -3.941   4.943
   55   HH21  ARG   6          HH21      ARG   6  -4.875  -3.821   3.602
   56   HH22  ARG   6          HH22      ARG   6  -3.536  -4.838   4.017
   57    HA   DPR   7           HA       DPR   7 -10.041  -0.123  -2.086
   58    HB2  DPR   7           HB1      DPR   7  -7.930   0.618  -4.089
   59    HB3  DPR   7           HB2      DPR   7  -9.587   0.044  -4.367
   60    HG2  DPR   7           HG1      DPR   7  -7.427  -1.576  -4.470
   61    HG3  DPR   7           HG2      DPR   7  -9.026  -2.135  -3.953
   62    HD2  DPR   7           HD1      DPR   7  -6.577  -1.819  -2.369
   63    HD3  DPR   7           HD2      DPR   7  -8.093  -2.625  -1.917
   64    HA   PRO   8           HA       PRO   8 -10.333   4.292  -1.503
   65    HB2  PRO   8           HB2      PRO   8  -9.799   3.703   1.385
   66    HB3  PRO   8           HB1      PRO   8 -11.077   4.693   0.655
   67    HG2  PRO   8           HG2      PRO   8 -11.499   2.201   1.585
   68    HG3  PRO   8           HG1      PRO   8 -12.412   2.906   0.241
   69    HD2  PRO   8           HD2      PRO   8 -10.422   0.730   0.177
   70    HD3  PRO   8           HD1      PRO   8 -11.611   1.204  -1.056
   71    H    ILE   9           HN       ILE   9  -7.641   2.461  -0.180
   72    HA   ILE   9           HA       ILE   9  -5.867   4.719  -0.753
   73    HB   ILE   9           HB       ILE   9  -4.750   3.986   1.580
   74   HG12  ILE   9          HG12      ILE   9  -7.653   3.950   2.332
   75   HG13  ILE   9          HG11      ILE   9  -6.898   2.446   1.804
   76   HG21  ILE   9          HG21      ILE   9  -7.033   5.950   1.225
   77   HG22  ILE   9          HG22      ILE   9  -5.327   6.275   0.919
   78   HG23  ILE   9          HG23      ILE   9  -5.884   5.963   2.563
   79   HD11  ILE   9          HD11      ILE   9  -5.238   2.572   3.535
   80   HD12  ILE   9          HD12      ILE   9  -6.801   2.857   4.301
   81   HD13  ILE   9          HD13      ILE   9  -5.726   4.212   3.962
   82    H    ILE  10           HN       ILE  10  -3.686   4.160  -1.036
   83    HA   ILE  10           HA       ILE  10  -3.278   1.340  -1.733
   84    HB   ILE  10           HB       ILE  10  -1.588   2.044  -3.185
   85   HG12  ILE  10          HG12      ILE  10  -1.351   4.448  -1.359
   86   HG13  ILE  10          HG11      ILE  10  -0.129   3.225  -1.708
   87   HG21  ILE  10          HG21      ILE  10  -2.656   3.539  -4.563
   88   HG22  ILE  10          HG22      ILE  10  -3.026   4.657  -3.251
   89   HG23  ILE  10          HG23      ILE  10  -3.988   3.193  -3.462
   90   HD11  ILE  10          HD11      ILE  10   0.617   4.886  -3.116
   91   HD12  ILE  10          HD12      ILE  10  -0.999   5.553  -3.359
   92   HD13  ILE  10          HD13      ILE  10  -0.514   4.082  -4.205
   93    H    PHE  11           HN       PHE  11  -1.290   0.262  -1.068
   94    HA   PHE  11           HA       PHE  11  -0.091   1.362   1.391
   95    HB2  PHE  11           HB2      PHE  11  -1.898  -0.735   1.345
   96    HB3  PHE  11           HB1      PHE  11  -0.338  -1.549   1.361
   97    HD1  PHE  11           HD1      PHE  11  -2.696   0.467   3.244
   98    HD2  PHE  11           HD2      PHE  11   1.323  -1.036   3.154
   99    HE1  PHE  11           HE1      PHE  11  -2.451   0.985   5.661
  100    HE2  PHE  11           HE2      PHE  11   1.572  -0.520   5.570
  101    HZ   PHE  11           HZ       PHE  11  -0.315   0.491   6.823
  102    H    ASN  12           HN       ASN  12   0.918   1.514  -1.232
  103    HA   ASN  12           HA       ASN  12   3.042  -0.514  -1.323
  104    HB2  ASN  12           HB2      ASN  12   3.168  -0.172  -3.583
  105    HB3  ASN  12           HB1      ASN  12   1.498   0.332  -3.335
  106   HD21  ASN  12          HD21      ASN  12   2.009   2.881  -2.084
  107   HD22  ASN  12          HD22      ASN  12   2.723   3.898  -3.249
  108    H    GLU  13           HN       GLU  13   5.236   0.116  -1.603
  109    HA   GLU  13           HA       GLU  13   7.105   1.450  -1.341
  110    HB2  GLU  13           HB2      GLU  13   5.323   3.266  -2.281
  111    HB3  GLU  13           HB1      GLU  13   5.617   3.920  -0.670
  112    HG2  GLU  13           HG2      GLU  13   7.303   4.926  -1.959
  113    HG3  GLU  13           HG1      GLU  13   8.134   3.550  -1.234
  114    H    ARG  14           HN       ARG  14   7.588   3.494   0.477
  115    HA   ARG  14           HA       ARG  14   8.164   3.717   2.695
  116    HB2  ARG  14           HB2      ARG  14   5.238   3.147   2.658
  117    HB3  ARG  14           HB1      ARG  14   6.058   3.099   4.219
  118    HG2  ARG  14           HG2      ARG  14   6.947   5.360   3.843
  119    HG3  ARG  14           HG1      ARG  14   6.166   5.413   2.262
  120    HD2  ARG  14           HD2      ARG  14   3.983   4.896   3.588
  121    HD3  ARG  14           HD1      ARG  14   4.899   5.435   4.992
  122    HE   ARG  14           HE       ARG  14   4.660   7.603   4.220
  123   HH11  ARG  14          HH11      ARG  14   4.058   9.183   2.703
  124   HH12  ARG  14          HH12      ARG  14   3.657   8.713   1.084
  125   HH21  ARG  14          HH21      ARG  14   4.192   5.335   1.650
  126   HH22  ARG  14          HH22      ARG  14   3.732   6.534   0.488
  Start of MODEL   10
    1    H1   GLY   1           HN       GLY   1   9.837  -0.004  -0.682
    2    HA2  GLY   1           HA2      GLY   1  10.943  -1.959  -1.425
    3    HA3  GLY   1           HA1      GLY   1  11.285  -2.375   0.253
    4    H    SER   2           HN       SER   2   8.212  -1.447   0.417
    5    HA   SER   2           HA       SER   2   7.041  -3.986  -0.502
    6    HB2  SER   2           HB2      SER   2   5.940  -3.166   2.056
    7    HB3  SER   2           HB1      SER   2   6.568  -4.736   1.560
    8    HG   SER   2           HG       SER   2   8.429  -2.712   1.937
    9    H    LYS   3           HN       LYS   3   4.519  -3.803   0.112
   10    HA   LYS   3           HA       LYS   3   3.304  -1.260   0.097
   11    HB2  LYS   3           HB2      LYS   3   2.478  -1.226  -2.260
   12    HB3  LYS   3           HB1      LYS   3   4.213  -0.962  -2.128
   13    HG2  LYS   3           HG2      LYS   3   4.702  -3.202  -2.823
   14    HG3  LYS   3           HG1      LYS   3   3.016  -3.694  -2.649
   15    HD2  LYS   3           HD2      LYS   3   2.455  -2.882  -4.685
   16    HD3  LYS   3           HD1      LYS   3   3.378  -1.399  -4.441
   17    HE2  LYS   3           HE2      LYS   3   5.463  -2.590  -4.966
   18    HE3  LYS   3           HE1      LYS   3   4.565  -4.094  -5.171
   19    HZ1  LYS   3           HZ1      LYS   3   4.953  -1.983  -7.019
   20    HZ2  LYS   3           HZ2      LYS   3   3.292  -2.222  -6.747
   21    HZ3  LYS   3           HZ3      LYS   3   4.265  -3.512  -7.272
   22    H    ARG   4           HN       ARG   4   1.027  -1.364   0.025
   23    HA   ARG   4           HA       ARG   4  -0.160  -4.043  -0.215
   24    HB2  ARG   4           HB2      ARG   4  -0.330  -2.225   2.188
   25    HB3  ARG   4           HB1      ARG   4  -1.527  -3.479   1.874
   26    HG2  ARG   4           HG2      ARG   4   0.336  -5.155   1.776
   27    HG3  ARG   4           HG1      ARG   4   1.454  -3.876   2.252
   28    HD2  ARG   4           HD2      ARG   4  -0.486  -5.371   3.879
   29    HD3  ARG   4           HD1      ARG   4   0.977  -4.524   4.371
   30    HE   ARG   4           HE       ARG   4  -1.244  -2.796   3.648
   31   HH11  ARG   4          HH11      ARG   4  -2.057  -1.526   5.347
   32   HH12  ARG   4          HH12      ARG   4  -1.599  -1.878   6.980
   33   HH21  ARG   4          HH21      ARG   4   0.419  -4.562   6.116
   34   HH22  ARG   4          HH22      ARG   4  -0.198  -3.596   7.415
   35    H    PHE   5           HN       PHE   5  -2.721  -3.526   0.428
   36    HA   PHE   5           HA       PHE   5  -3.506  -1.280  -1.334
   37    HB2  PHE   5           HB2      PHE   5  -3.841  -3.995  -1.863
   38    HB3  PHE   5           HB1      PHE   5  -5.418  -3.465  -1.281
   39    HD1  PHE   5           HD1      PHE   5  -6.877  -2.330  -2.726
   40    HD2  PHE   5           HD2      PHE   5  -2.680  -2.472  -3.636
   41    HE1  PHE   5           HE1      PHE   5  -7.312  -1.232  -4.906
   42    HE2  PHE   5           HE2      PHE   5  -3.117  -1.373  -5.816
   43    HZ   PHE   5           HZ       PHE   5  -5.432  -0.753  -6.452
   44    H    ARG   6           HN       ARG   6  -5.443  -0.210  -0.829
   45    HA   ARG   6           HA       ARG   6  -6.766  -0.969   1.684
   46    HB2  ARG   6           HB2      ARG   6  -5.265   1.571   1.210
   47    HB3  ARG   6           HB1      ARG   6  -6.784   1.662   2.096
   48    HG2  ARG   6           HG2      ARG   6  -4.774  -0.442   2.835
   49    HG3  ARG   6           HG1      ARG   6  -4.545   1.213   3.398
   50    HD2  ARG   6           HD2      ARG   6  -7.269   0.062   3.729
   51    HD3  ARG   6           HD1      ARG   6  -6.005  -0.596   4.762
   52    HE   ARG   6           HE       ARG   6  -7.158   2.042   4.933
   53   HH11  ARG   6          HH11      ARG   6  -6.346   3.369   6.587
   54   HH12  ARG   6          HH12      ARG   6  -4.864   2.950   7.379
   55   HH21  ARG   6          HH21      ARG   6  -4.368   0.075   5.504
   56   HH22  ARG   6          HH22      ARG   6  -3.745   1.084   6.767
   57    HA   DPR   7           HA       DPR   7 -10.656  -0.387  -0.234
   58    HB2  DPR   7           HB1      DPR   7  -9.500  -1.644  -2.697
   59    HB3  DPR   7           HB2      DPR   7 -11.047  -1.960  -1.890
   60    HG2  DPR   7           HG1      DPR   7  -8.872  -3.534  -1.593
   61    HG3  DPR   7           HG2      DPR   7 -10.089  -3.315  -0.326
   62    HD2  DPR   7           HD1      DPR   7  -7.298  -2.374  -0.411
   63    HD3  DPR   7           HD2      DPR   7  -8.408  -2.464   0.974
   64    HA   PRO   8           HA       PRO   8 -10.825   2.947  -3.183
   65    HB2  PRO   8           HB2      PRO   8 -10.662   5.124  -1.492
   66    HB3  PRO   8           HB1      PRO   8 -12.137   4.173  -1.754
   67    HG2  PRO   8           HG2      PRO   8 -10.174   4.054   0.478
   68    HG3  PRO   8           HG1      PRO   8 -11.942   3.912   0.514
   69    HD2  PRO   8           HD2      PRO   8 -10.321   1.732   0.691
   70    HD3  PRO   8           HD1      PRO   8 -11.914   1.666  -0.094
   71    H    ILE   9           HN       ILE   9  -8.116   2.708  -0.987
   72    HA   ILE   9           HA       ILE   9  -6.483   4.223  -2.930
   73    HB   ILE   9           HB       ILE   9  -5.176   5.068  -0.894
   74   HG12  ILE   9          HG12      ILE   9  -7.668   4.879   0.689
   75   HG13  ILE   9          HG11      ILE   9  -6.790   3.362   0.489
   76   HG21  ILE   9          HG21      ILE   9  -6.267   6.863  -1.756
   77   HG22  ILE   9          HG22      ILE   9  -7.381   6.635  -0.408
   78   HG23  ILE   9          HG23      ILE   9  -7.760   5.956  -1.990
   79   HD11  ILE   9          HD11      ILE   9  -5.354   5.885   1.299
   80   HD12  ILE   9          HD12      ILE   9  -4.842   4.210   1.513
   81   HD13  ILE   9          HD13      ILE   9  -6.149   4.866   2.500
   82    H    ILE  10           HN       ILE  10  -4.327   3.597  -3.122
   83    HA   ILE  10           HA       ILE  10  -3.793   0.856  -2.244
   84    HB   ILE  10           HB       ILE  10  -2.121   0.779  -3.939
   85   HG12  ILE  10          HG12      ILE  10  -1.965   3.195  -5.229
   86   HG13  ILE  10          HG11      ILE  10  -2.105   3.717  -3.553
   87   HG21  ILE  10          HG21      ILE  10  -3.488   0.949  -5.772
   88   HG22  ILE  10          HG22      ILE  10  -4.021   2.578  -5.357
   89   HG23  ILE  10          HG23      ILE  10  -4.714   1.184  -4.527
   90   HD11  ILE  10          HD11      ILE  10   0.011   1.980  -4.813
   91   HD12  ILE  10          HD12      ILE  10  -0.276   1.930  -3.074
   92   HD13  ILE  10          HD13      ILE  10   0.217   3.438  -3.843
   93    H    PHE  11           HN       PHE  11  -1.882   0.275  -1.129
   94    HA   PHE  11           HA       PHE  11  -0.676   2.497   0.403
   95    HB2  PHE  11           HB2      PHE  11  -1.769  -0.052   1.173
   96    HB3  PHE  11           HB1      PHE  11  -0.067   0.033   1.624
   97    HD1  PHE  11           HD1      PHE  11  -2.863   2.542   1.477
   98    HD2  PHE  11           HD2      PHE  11   0.197   0.675   3.849
   99    HE1  PHE  11           HE1      PHE  11  -3.443   4.014   3.387
  100    HE2  PHE  11           HE2      PHE  11  -0.383   2.150   5.755
  101    HZ   PHE  11           HZ       PHE  11  -2.202   3.819   5.525
  102    H    ASN  12           HN       ASN  12   1.499   2.731   0.512
  103    HA   ASN  12           HA       ASN  12   3.162   0.806  -1.001
  104    HB2  ASN  12           HB2      ASN  12   2.994   2.781  -2.352
  105    HB3  ASN  12           HB1      ASN  12   3.298   3.824  -0.964
  106   HD21  ASN  12          HD21      ASN  12   5.048   0.800  -1.741
  107   HD22  ASN  12          HD22      ASN  12   6.556   1.553  -1.979
  108    H    GLU  13           HN       GLU  13   5.337   0.564  -0.255
  109    HA   GLU  13           HA       GLU  13   6.030   1.793   2.307
  110    HB2  GLU  13           HB2      GLU  13   4.932  -0.835   2.134
  111    HB3  GLU  13           HB1      GLU  13   6.634  -0.977   2.573
  112    HG2  GLU  13           HG2      GLU  13   6.282   0.704   4.373
  113    HG3  GLU  13           HG1      GLU  13   4.568   0.751   3.965
  114    H    ARG  14           HN       ARG  14   8.249   1.632   2.829
  115    HA   ARG  14           HA       ARG  14  10.032   1.797   0.673
  116    HB2  ARG  14           HB2      ARG  14  10.315   1.602   3.632
  117    HB3  ARG  14           HB1      ARG  14  11.738   1.232   2.662
  118    HG2  ARG  14           HG2      ARG  14  11.855   3.377   1.759
  119    HG3  ARG  14           HG1      ARG  14  10.144   3.698   2.035
  120    HD2  ARG  14           HD2      ARG  14  12.046   4.741   3.604
  121    HD3  ARG  14           HD1      ARG  14  10.463   4.292   4.230
  122    HE   ARG  14           HE       ARG  14  11.456   2.486   5.341
  123   HH11  ARG  14          HH11      ARG  14  13.285   1.387   6.116
  124   HH12  ARG  14          HH12      ARG  14  14.836   1.690   5.407
  125   HH21  ARG  14          HH21      ARG  14  13.636   4.012   3.128
  126   HH22  ARG  14          HH22      ARG  14  15.035   3.175   3.715