*HEADER    PROTEIN BINDING                         18-JUN-10   2KZJ              
*TITLE     SOLUTION STRUCTURE OF THE ZHER2 AFFIBODY (ALTERNATIVE)                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ENGINEERED PROTEIN, ZHER2 AFFIBODY;                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   3 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   4 EXPRESSION_SYSTEM_VECTOR: PAY442;                                    
*SOURCE   5 OTHER_DETAILS: PET DERIVED, T7 PROMOTER                              
*KEYWDS    ENGINEERED PROTEIN, PROTEIN BINDING                                   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    23                                                                    
*AUTHOR    T.HARD                                                                
*REVDAT   1   04-AUG-10 2KZJ    0                                                


!
! backbone Hbonds to enforce helix in Z helix 1
! (to be used to test compatibility of helix with observed NOEs)
! remainder of Hbond set same as in normal structure determination
!
assi (resi 10    and name HN  ) (resi 6    and name O )  2.20  0.50  0.00
assi (resi 10    and name  N  ) (resi 6    and name O )  3.20  0.50  0.00

assi (resi 11    and name HN  ) (resi 7    and name O )  2.20  0.50  0.00
assi (resi 11    and name  N  ) (resi 7    and name O )  3.20  0.50  0.00

assi (resi 12    and name HN  ) (resi 8    and name O )  2.20  0.50  0.00
assi (resi 12    and name  N  ) (resi 8    and name O )  3.20  0.50  0.00

assi (resi 13    and name HN  ) (resi 9    and name O )  2.20  0.50  0.00
assi (resi 13    and name  N  ) (resi 9    and name O )  3.20  0.50  0.00

assi (resi 14    and name HN  ) (resi 10   and name O )  2.20  0.50  0.00
assi (resi 14    and name  N  ) (resi 10   and name O )  3.20  0.50  0.00

assi (resi 15    and name HN  ) (resi 11   and name O )  2.20  0.50  0.00
assi (resi 15    and name  N  ) (resi 11    and name O )  3.20  0.50  0.00

assi (resi 16    and name HN  ) (resi 12    and name O )  2.20  0.50  0.00
assi (resi 16    and name  N  ) (resi 12    and name O )  3.20  0.50  0.00

assi (resi 17    and name HN  ) (resi 13    and name O )  2.20  0.50  0.00
assi (resi 17    and name  N  ) (resi 13    and name O )  3.20  0.50  0.00

assi (resi 18    and name HN  ) (resi 14    and name O )  2.20  0.50  0.00
assi (resi 18    and name  N  ) (resi 14    and name O )  3.20  0.50  0.00

assi (resi 19    and name HN  ) (resi 16    and name O )  2.20  0.50  0.00
assi (resi 19    and name  N  ) (resi 16    and name O )  3.20  0.50  0.00

assi (resi 27    and name HN  ) (resi 23    and name O )  2.20  0.50  0.00
assi (resi 27    and name  N  ) (resi 23    and name O )  3.20  0.50  0.00

assi (resi 29    and name HN  ) (resi 25    and name O )  2.20  0.50  0.00
assi (resi 29    and name  N  ) (resi 25    and name O )  3.20  0.50  0.00

assi (resi 30    and name HN  ) (resi 26    and name O )  2.20  0.50  0.00
assi (resi 30    and name  N  ) (resi 26    and name O )  3.20  0.50  0.00

assi (resi 32    and name HN  ) (resi 28    and name O )  2.20  0.50  0.00
assi (resi 32    and name  N  ) (resi 28    and name O )  3.20  0.50  0.00

assi (resi 33    and name HN  ) (resi 29    and name O )  2.20  0.50  0.00
assi (resi 33    and name  N  ) (resi 29    and name O )  3.20  0.50  0.00

assi (resi 34    and name HN  ) (resi 30    and name O )  2.20  0.50  0.00
assi (resi 34    and name  N  ) (resi 30    and name O )  3.20  0.50  0.00

assi (resi 36    and name HN  ) (resi 32    and name O )  2.20  0.50  0.00
assi (resi 36    and name  N  ) (resi 32    and name O )  3.20  0.50  0.00

assi (resi 37    and name HN  ) (resi 33    and name O )  2.20  0.50  0.00
assi (resi 37    and name  N  ) (resi 33    and name O )  3.20  0.50  0.00

assi (resi 40    and name HN  ) (resi 37    and name O )  2.20  0.50  0.00
assi (resi 40    and name  N  ) (resi 37    and name O )  3.20  0.50  0.00

assi (resi 43    and name HN  ) (resi 40    and name O )  2.20  0.50  0.00
assi (resi 43    and name  N  ) (resi 40    and name O )  3.20  0.50  0.00

assi (resi 45    and name HN  ) (resi 41    and name O )  2.20  0.50  0.00
assi (resi 45    and name  N  ) (resi 41    and name O )  3.20  0.50  0.00

assi (resi 46    and name HN  ) (resi 42    and name O )  2.20  0.50  0.00
assi (resi 46    and name  N  ) (resi 42    and name O )  3.20  0.50  0.00

assi (resi 47    and name HN  ) (resi 43    and name O )  2.20  0.50  0.00
assi (resi 47    and name  N  ) (resi 43    and name O )  3.20  0.50  0.00

assi (resi 48    and name HN  ) (resi 44    and name O )  2.20  0.50  0.00
assi (resi 48    and name  N  ) (resi 44    and name O )  3.20  0.50  0.00

assi (resi 49    and name HN  ) (resi 45    and name O )  2.20  0.50  0.00
assi (resi 49    and name  N  ) (resi 45    and name O )  3.20  0.50  0.00

assi (resi 50    and name HN  ) (resi 46    and name O )  2.20  0.50  0.00
assi (resi 50    and name  N  ) (resi 46    and name O )  3.20  0.50  0.00

assi (resi 51    and name HN  ) (resi 47    and name O )  2.20  0.50  0.00
assi (resi 51    and name  N  ) (resi 47    and name O )  3.20  0.50  0.00

assi (resi 52    and name HN  ) (resi 48    and name O )  2.20  0.50  0.00
assi (resi 52    and name  N  ) (resi 48    and name O )  3.20  0.50  0.00

assi (resi 53    and name HN  ) (resi 49    and name O )  2.20  0.50  0.00
assi (resi 53    and name  N  ) (resi 49    and name O )  3.20  0.50  0.00

assi (resi 54    and name HN  ) (resi 50    and name O )  2.20  0.50  0.00
assi (resi 54    and name  N  ) (resi 50    and name O )  3.20  0.50  0.00

assi (resi 55    and name HN  ) (resi 51    and name O )  2.20  0.50  0.00
assi (resi 55    and name  N  ) (resi 51    and name O )  3.20  0.50  0.00

assi (resi 56    and name HN  ) (resi 52    and name O )  2.20  0.50  0.00
assi (resi 56    and name  N  ) (resi 52    and name O )  3.20  0.50  0.00

!
! side chain Hbonds
!
assi (resi 21    and name HN  ) (resi 21    and name OD1 )  2.20  0.50  0.00
assi (resi 21    and name  N  ) (resi 21    and name OD1 )  3.20  0.50  0.00

assi (resi 21    and name HD22  ) (resi 52    and name ND2 )  2.20  0.50  0.00
assi (resi 21    and name  ND2  ) (resi 52    and name ND2 )  3.20  0.50  0.00

assi (resi 23    and name HN  ) (resi 26    and name NE2 )  2.20  0.50  0.00
assi (resi 23    and name  N  ) (resi 26    and name NE2 )  3.20  0.50  0.00

assi (resi 26    and name HE21 ) (resi 23    and name N )  2.20  0.50  0.00
assi (resi 26    and name  NE2  ) (resi 23    and name N )  3.20  0.50  0.00

assi (resi 52    and name HD21  ) (resi 21    and name OD1 )  2.20  0.50  0.00
assi (resi 52    and name  ND2  ) (resi 21    and name OD1 )  3.20  0.50  0.00

assi (resi 50    and name HZ2  ) (resi 47    and name OE1 )  2.20  0.50  0.00
assi (resi 50    and name  NZ  ) (resi 47    and name OE1 )  3.20  0.50  0.00
! Talos predictions 
! - two restraints violated by NOE restraints disabled
! - added restraints for negative phi angle for D2 and K4
!
! D 2   Phi
assign (resid  1 and name C ) (resid  2 and name N)
       (resid  2 and name CA) (resid  2 and name C) 1.0   -90.00    90.00  2
! N 3   Phi Psi
assign (resid  2 and name C ) (resid  3 and name N)
       (resid  3 and name CA) (resid  3 and name C) 1.0   -67.00    22.00  2
assign (resid  3 and name N) (resid  3 and name CA)
       (resid  3 and name C) (resid  4 and name  N) 1.0   -39.00    20.00  2
! K 4   Phi
assign (resid  3 and name C ) (resid  4 and name N)
       (resid  4 and name CA) (resid  4 and name C) 1.0   -90.00    90.00  2
! F 5   Phi Psi
assign (resid  4 and name C ) (resid  5 and name N)
       (resid  5 and name CA) (resid  5 and name C) 1.0   -66.00    24.00  2
! assign (resid  5 and name N) (resid  5 and name CA)
!       (resid  5 and name C) (resid  6 and name  N) 1.0   -43.00    20.00  2
! N 6   Phi Psi
assign (resid  5 and name C ) (resid  6 and name N)
       (resid  6 and name CA) (resid  6 and name C) 1.0   -69.00    20.00  2
assign (resid  6 and name N) (resid  6 and name CA)
       (resid  6 and name C) (resid  7 and name  N) 1.0   -31.00    30.00  2
! K 7   Phi Psi
assign (resid  6 and name C ) (resid  7 and name N)
       (resid  7 and name CA) (resid  7 and name C) 1.0   -67.00    22.00  2
assign (resid  7 and name N) (resid  7 and name CA)
       (resid  7 and name C) (resid  8 and name  N) 1.0   -33.00    40.00  2
! E 8   Phi Psi
assign (resid  7 and name C ) (resid  8 and name N)
       (resid  8 and name CA) (resid  8 and name C) 1.0   -63.00    20.00  2
assign (resid  8 and name N) (resid  8 and name CA)
       (resid  8 and name C) (resid  9 and name  N) 1.0   -41.00    20.00  2
! M 9   Phi Psi
assign (resid  8 and name C ) (resid  9 and name N)
       (resid  9 and name CA) (resid  9 and name C) 1.0   -65.00    20.00  2
assign (resid  9 and name N) (resid  9 and name CA)
       (resid  9 and name C) (resid  10 and name  N) 1.0   -40.00    24.00  2
! W 14  Phi Psi
assign (resid  13 and name C ) (resid  14 and name N)
       (resid  14 and name CA) (resid  14 and name C) 1.0   -65.00    20.00  2
assign (resid  14 and name N) (resid  14 and name CA)
       (resid  14 and name C) (resid  15 and name  N) 1.0   -35.00    20.00  2
! E 15  Phi Psi
assign (resid  14 and name C ) (resid  15 and name N)
       (resid  15 and name CA) (resid  15 and name C) 1.0   -65.00    20.00  2
assign (resid  15 and name N) (resid  15 and name CA)
       (resid  15 and name C) (resid  16 and name  N) 1.0   -42.00    20.00  2
! I 16  Phi Psi
assign (resid  15 and name C ) (resid  16 and name N)
       (resid  16 and name CA) (resid  16 and name C) 1.0   -63.00    20.00  2
assign (resid  16 and name N) (resid  16 and name CA)
       (resid  16 and name C) (resid  17 and name  N) 1.0   -43.00    20.00  2
! A 17  Phi Psi
assign (resid  16 and name C ) (resid  17 and name N)
       (resid  17 and name CA) (resid  17 and name C) 1.0   -58.00    20.00  2
assign (resid  17 and name N) (resid  17 and name CA)
       (resid  17 and name C) (resid  18 and name  N) 1.0   -34.00    20.00  2
! L 19  Phi Psi
assign (resid  18 and name C ) (resid  19 and name N)
       (resid  19 and name CA) (resid  19 and name C) 1.0   -72.00    34.00  2
assign (resid  19 and name N) (resid  19 and name CA)
       (resid  19 and name C) (resid  20 and name  N) 1.0   143.00    20.00  2
! P 20  Phi Psi
assign (resid  19 and name C ) (resid  20 and name N)
       (resid  20 and name CA) (resid  20 and name C) 1.0   -60.00    26.00  2
assign (resid  20 and name N) (resid  20 and name CA)
       (resid  20 and name C) (resid  21 and name  N) 1.0   -26.00    34.00  2
! N 24  Phi Psi
assign (resid  23 and name C ) (resid  24 and name N)
       (resid  24 and name CA) (resid  24 and name C) 1.0   -58.00    20.00  2
assign (resid  24 and name N) (resid  24 and name CA)
       (resid  24 and name C) (resid  25 and name  N) 1.0   -39.00    20.00  2
! Q 25  Phi Psi
assign (resid  24 and name C ) (resid  25 and name N)
       (resid  25 and name CA) (resid  25 and name C) 1.0   -66.00    20.00  2
assign (resid  25 and name N) (resid  25 and name CA)
       (resid  25 and name C) (resid  26 and name  N) 1.0   -41.00    20.00  2
! Q 26  Phi Psi
assign (resid  25 and name C ) (resid  26 and name N)
       (resid  26 and name CA) (resid  26 and name C) 1.0   -63.00    20.00  2
assign (resid  26 and name N) (resid  26 and name CA)
       (resid  26 and name C) (resid  27 and name  N) 1.0   -45.00    24.00  2
! K 27  Phi Psi
assign (resid  26 and name C ) (resid  27 and name N)
       (resid  27 and name CA) (resid  27 and name C) 1.0   -65.00    20.00  2
assign (resid  27 and name N) (resid  27 and name CA)
       (resid  27 and name C) (resid  28 and name  N) 1.0   -43.00    20.00  2
! R 28  Phi Psi
assign (resid  27 and name C ) (resid  28 and name N)
       (resid  28 and name CA) (resid  28 and name C) 1.0   -62.00    20.00  2
assign (resid  28 and name N) (resid  28 and name CA)
       (resid  28 and name C) (resid  29 and name  N) 1.0   -46.00    20.00  2
! A 29  Phi Psi
assign (resid  28 and name C ) (resid  29 and name N)
       (resid  29 and name CA) (resid  29 and name C) 1.0   -64.00    20.00  2
assign (resid  29 and name N) (resid  29 and name CA)
       (resid  29 and name C) (resid  30 and name  N) 1.0   -43.00    20.00  2
! F 30  Phi Psi
assign (resid  29 and name C ) (resid  30 and name N)
       (resid  30 and name CA) (resid  30 and name C) 1.0   -66.00    20.00  2
assign (resid  30 and name N) (resid  30 and name CA)
       (resid  30 and name C) (resid  31 and name  N) 1.0   -43.00    20.00  2
! I 31  Phi Psi
assign (resid  30 and name C ) (resid  31 and name N)
       (resid  31 and name CA) (resid  31 and name C) 1.0   -63.00    20.00  2
assign (resid  31 and name N) (resid  31 and name CA)
       (resid  31 and name C) (resid  32 and name  N) 1.0   -45.00    20.00  2
! R 32  Phi Psi
assign (resid  31 and name C ) (resid  32 and name N)
       (resid  32 and name CA) (resid  32 and name C) 1.0   -62.00    20.00  2
assign (resid  32 and name N) (resid  32 and name CA)
       (resid  32 and name C) (resid  33 and name  N) 1.0   -42.00    20.00  2
! S 33  Phi Psi
assign (resid  32 and name C ) (resid  33 and name N)
       (resid  33 and name CA) (resid  33 and name C) 1.0   -64.00    20.00  2
assign (resid  33 and name N) (resid  33 and name CA)
       (resid  33 and name C) (resid  34 and name  N) 1.0   -41.00    20.00  2
! L 34  Phi Psi
assign (resid  33 and name C ) (resid  34 and name N)
       (resid  34 and name CA) (resid  34 and name C) 1.0   -61.00    20.00  2
assign (resid  34 and name N) (resid  34 and name CA)
       (resid  34 and name C) (resid  35 and name  N) 1.0   -44.00    20.00  2
! D 36  Phi Psi
assign (resid  35 and name C ) (resid  36 and name N)
       (resid  36 and name CA) (resid  36 and name C) 1.0   -58.00    22.00  2
assign (resid  36 and name N) (resid  36 and name CA)
       (resid  36 and name C) (resid  37 and name  N) 1.0   -36.00    20.00  2
! P 38  Phi Psi
assign (resid  37 and name C ) (resid  38 and name N)
       (resid  38 and name CA) (resid  38 and name C) 1.0   -58.00    20.00  2
assign (resid  38 and name N) (resid  38 and name CA)
       (resid  38 and name C) (resid  39 and name  N) 1.0   -29.00    20.00  2
! S 39  Phi Psi
assign (resid  38 and name C ) (resid  39 and name N)
       (resid  39 and name CA) (resid  39 and name C) 1.0   -63.00    20.00  2
assign (resid  39 and name N) (resid  39 and name CA)
       (resid  39 and name C) (resid  40 and name  N) 1.0   -33.00    26.00  2
! S 41  Phi Psi
! assign (resid  40 and name C ) (resid  41 and name N)
!        (resid  41 and name CA) (resid  41 and name C) 1.0   -59.00    20.00  2
assign (resid  41 and name N) (resid  41 and name CA)
       (resid  41 and name C) (resid  42 and name  N) 1.0   -41.00    20.00  2
! A 42  Phi Psi
assign (resid  41 and name C ) (resid  42 and name N)
       (resid  42 and name CA) (resid  42 and name C) 1.0   -63.00    20.00  2
assign (resid  42 and name N) (resid  42 and name CA)
       (resid  42 and name C) (resid  43 and name  N) 1.0   -42.00    20.00  2
! N 43  Phi Psi
assign (resid  42 and name C ) (resid  43 and name N)
       (resid  43 and name CA) (resid  43 and name C) 1.0   -66.00    20.00  2
assign (resid  43 and name N) (resid  43 and name CA)
       (resid  43 and name C) (resid  44 and name  N) 1.0   -41.00    20.00  2
! L 44  Phi Psi
assign (resid  43 and name C ) (resid  44 and name N)
       (resid  44 and name CA) (resid  44 and name C) 1.0   -63.00    20.00  2
assign (resid  44 and name N) (resid  44 and name CA)
       (resid  44 and name C) (resid  45 and name  N) 1.0   -43.00    20.00  2
! L 45  Phi Psi
assign (resid  44 and name C ) (resid  45 and name N)
       (resid  45 and name CA) (resid  45 and name C) 1.0   -63.00    20.00  2
assign (resid  45 and name N) (resid  45 and name CA)
       (resid  45 and name C) (resid  46 and name  N) 1.0   -45.00    20.00  2
! A 46  Phi Psi
assign (resid  45 and name C ) (resid  46 and name N)
       (resid  46 and name CA) (resid  46 and name C) 1.0   -64.00    20.00  2
assign (resid  46 and name N) (resid  46 and name CA)
       (resid  46 and name C) (resid  47 and name  N) 1.0   -40.00    20.00  2
! E 47  Phi Psi
assign (resid  46 and name C ) (resid  47 and name N)
       (resid  47 and name CA) (resid  47 and name C) 1.0   -68.00    20.00  2
assign (resid  47 and name N) (resid  47 and name CA)
       (resid  47 and name C) (resid  48 and name  N) 1.0   -39.00    20.00  2
! A 48  Phi Psi
assign (resid  47 and name C ) (resid  48 and name N)
       (resid  48 and name CA) (resid  48 and name C) 1.0   -64.00    20.00  2
assign (resid  48 and name N) (resid  48 and name CA)
       (resid  48 and name C) (resid  49 and name  N) 1.0   -41.00    20.00  2
! K 49  Phi Psi
assign (resid  48 and name C ) (resid  49 and name N)
       (resid  49 and name CA) (resid  49 and name C) 1.0   -64.00    20.00  2
assign (resid  49 and name N) (resid  49 and name CA)
       (resid  49 and name C) (resid  50 and name  N) 1.0   -43.00    20.00  2
! K 50  Phi Psi
assign (resid  49 and name C ) (resid  50 and name N)
       (resid  50 and name CA) (resid  50 and name C) 1.0   -66.00    20.00  2
assign (resid  50 and name N) (resid  50 and name CA)
       (resid  50 and name C) (resid  51 and name  N) 1.0   -39.00    20.00  2
! L 51  Phi Psi
assign (resid  50 and name C ) (resid  51 and name N)
       (resid  51 and name CA) (resid  51 and name C) 1.0   -65.00    20.00  2
assign (resid  51 and name N) (resid  51 and name CA)
       (resid  51 and name C) (resid  52 and name  N) 1.0   -42.00    20.00  2
! N 52  Phi Psi
assign (resid  51 and name C ) (resid  52 and name N)
       (resid  52 and name CA) (resid  52 and name C) 1.0   -64.00    20.00  2
assign (resid  52 and name N) (resid  52 and name CA)
       (resid  52 and name C) (resid  53 and name  N) 1.0   -42.00    20.00  2
! D 53  Phi Psi
assign (resid  52 and name C ) (resid  53 and name N)
       (resid  53 and name CA) (resid  53 and name C) 1.0   -66.00    20.00  2
assign (resid  53 and name N) (resid  53 and name CA)
       (resid  53 and name C) (resid  54 and name  N) 1.0   -38.00    20.00  2
! A 54  Phi Psi
assign (resid  53 and name C ) (resid  54 and name N)
       (resid  54 and name CA) (resid  54 and name C) 1.0   -63.00    20.00  2
assign (resid  54 and name N) (resid  54 and name CA)
       (resid  54 and name C) (resid  55 and name  N) 1.0   -30.00    20.00  2
! Q 55  Phi Psi
assign (resid  54 and name C ) (resid  55 and name N)
       (resid  55 and name CA) (resid  55 and name C) 1.0   -94.00    30.00  2
assign (resid  55 and name N) (resid  55 and name CA)
       (resid  55 and name C) (resid  56 and name  N) 1.0    -5.00    22.00  2
! P 57  Phi Psi
assign (resid  56 and name C ) (resid  57 and name N)
       (resid  57 and name CA) (resid  57 and name C) 1.0   -66.00    20.00  2
assign (resid  57 and name N) (resid  57 and name CA)
       (resid  57 and name C) (resid  58 and name  N) 1.0   148.00    22.00  2
 ASSI { 1549}
   (( segid "   A" and resid 10   and name  HB2 ))
   (( segid "   A" and resid 7    and name  HA  ))

      3.945     2.225     0.555 peak  1549 weight  1.00000E+00 volume  1.58721E+06 ppm1      1.757 ppm2      3.969

 ASSI { 1232}
   (  segid "   A" and resid 11   and name  HB# )
   (( segid "   A" and resid 8    and name  HA  ))

      3.158     1.438     1.342 peak  1232 weight  1.00000E+00 volume  5.61256E+06 ppm1      4.012 ppm2      2.819

 ASSI { 1097}
   (  segid "   A" and resid 12   and name  HB# )
   (( segid "   A" and resid 9    and name  HA  ))

      3.797     2.077     0.703 peak  1097 weight  1.00000E+00 volume  5.60865E+06 ppm1      1.414 ppm2      4.155

 ASSI { 1547}
   (( segid "   A" and resid 13   and name  HB1 ))
   (( segid "   A" and resid 10   and name  HA  ))

      3.828     2.108     0.672 peak  1547 weight  1.00000E+00 volume  7.20544E+05 ppm1      3.135 ppm2      3.716

 ASSI { 1223}
   (( segid "   A" and resid 15   and name  HB2 ))
   (( segid "   A" and resid 12   and name  HA  ))

      3.048     1.328     1.312 peak  1223 weight  1.00000E+00 volume  6.85462E+06 ppm1      1.937 ppm2      4.056

 ASSI { 1557}
   (( segid "   A" and resid 16   and name  HB  ))
   (( segid "   A" and resid 13   and name  HA  ))

      3.272     1.552     1.228 peak  1557 weight  1.00000E+00 volume  4.59463E+06 ppm1      3.976 ppm2      1.737

 ASSI { 1106}
   (  segid "   A" and resid 17   and name  HB# )
   (( segid "   A" and resid 14   and name  HA  ))

      3.932     2.212     0.568 peak  1106 weight  1.00000E+00 volume  1.71576E+06 ppm1      1.151 ppm2      4.252

 ASSI {  213}
   (( segid "   A" and resid 1    and name  HA  ))
   (( segid "   A" and resid 1    and name  HB  ))

      3.176     1.456     0.794 peak   213 weight  1.00000E+00 volume  1.31479E+06 ppm1      4.056 ppm2      2.021
 ASSI {  214}
   (  segid "   A" and resid 1    and name  HG# )
   (( segid "   A" and resid 1    and name  HA  ))

      3.405     1.685     0.851 peak   214 weight  1.00000E+00 volume  2.65347E+06 ppm1      4.056 ppm2      0.857
 ASSI {  210}
   (  segid "   A" and resid 1    and name  HG1#)
   (( segid "   A" and resid 1    and name  HA  ))

      3.734     2.014     0.934 peak   210 weight  1.00000E+00 volume  1.36322E+06 ppm1      0.858 ppm2      4.056
 ASSI {  198}
   (  segid "   A" and resid 1    and name  HG# )
   (( segid "   A" and resid 1    and name  HB  ))

      3.126     1.406     0.782 peak   198 weight  1.00000E+00 volume  4.20278E+06 ppm1      2.022 ppm2      0.857
 ASSI {  473}
   (( segid "   A" and resid 1    and name  HN  ))
   (( segid "   A" and resid 1    and name  HB  ))

      3.010     1.290     0.753 peak   473 weight  1.00000E+00 volume  6.39955E+05 ppm1      8.066 ppm2      2.022
 ASSI {  477}
   (( segid "   A" and resid 1    and name  HN  ))
   (( segid "   A" and resid 1    and name  HA  ))

      3.273     1.553     0.818 peak   477 weight  1.00000E+00 volume  4.39377E+05 ppm1      8.066 ppm2      4.054
 ASSI {  478}
   (  segid "   A" and resid 1    and name  HG# )
   (( segid "   A" and resid 1    and name  HN  ))

      3.364     1.644     0.841 peak   478 weight  1.00000E+00 volume  1.19131E+06 ppm1      8.066 ppm2      0.858
 ASSI {  211}
   (  segid "   A" and resid 1    and name  HG1#)
   (  segid "   A" and resid 4    and name  HE# )

      5.175     3.455     1.294 peak   211 weight  1.00000E+00 volume  2.12177E+05 ppm1      0.859 ppm2      2.822
 ASSI {  220}
   (  segid "   A" and resid 1    and name  HG1#)
   (  segid "   A" and resid 5    and name  HB# )

      5.355     3.635     1.339 peak   220 weight  1.00000E+00 volume  2.00519E+05 ppm1      0.852 ppm2      3.050
 ASSI { 1180}
   (( segid "   A" and resid 1    and name  HN  ))
   (  segid "   A" and resid 5    and name  HB# )

      4.934     3.214     1.233 peak  1180 weight  1.00000E+00 volume  8.15061E+04 ppm1      3.058 ppm2      8.068
 ASSI {  225}
   (  segid "   A" and resid 1    and name  HG2#)
   (( segid "   A" and resid 5    and name  HZ  ))

      5.563     3.843     1.391 peak   225 weight  1.00000E+00 volume  1.53690E+05 ppm1      0.862 ppm2      7.090
 ASSI { 1527}
   (  segid "   A" and resid 1    and name  HG# )
   (  segid "   A" and resid 5    and name  HE# )

      7.143     5.423     0.857 peak  1527 weight  1.00000E+00 volume  6.44281E+04 ppm1      0.858 ppm2      6.707
 ASSI {  536}
   (( segid "   A" and resid 2    and name  HN  ))
   (  segid "   A" and resid 1    and name  HG# )

      4.049     2.329     1.012 peak   536 weight  1.00000E+00 volume  4.11081E+05 ppm1      8.270 ppm2      0.858
 ASSI {  533}
   (( segid "   A" and resid 2    and name  HN  ))
   (( segid "   A" and resid 1    and name  HB  ))

      3.666     1.946     0.917 peak   533 weight  1.00000E+00 volume  2.13896E+05 ppm1      8.268 ppm2      2.019
 ASSI {  532}
   (( segid "   A" and resid 2    and name  HN  ))
   (( segid "   A" and resid 1    and name  HA  ))

      2.965     1.245     0.741 peak   532 weight  1.00000E+00 volume  8.27641E+05 ppm1      8.270 ppm2      4.053
 ASSI {  481}
   (( segid "   A" and resid 2    and name  HN  ))
   (( segid "   A" and resid 1    and name  HN  ))

      3.500     1.780     0.875 peak   481 weight  1.00000E+00 volume  2.72377E+05 ppm1      8.066 ppm2      8.264
 ASSI {  234}
   (( segid "   A" and resid 2    and name  HA  ))
   (( segid "   A" and resid 2    and name  HB2 ))

      4.511     2.791     1.128 peak   234 weight  1.00000E+00 volume  1.49754E+05 ppm1      2.690 ppm2      4.586
 ASSI {  235}
   (( segid "   A" and resid 2    and name  HA  ))
   (( segid "   A" and resid 2    and name  HB1 ))

      4.454     2.734     1.114 peak   235 weight  1.00000E+00 volume  1.49666E+05 ppm1      2.626 ppm2      4.584
 ASSI {  534}
   (( segid "   A" and resid 2    and name  HN  ))
   (( segid "   A" and resid 2    and name  HB2 ))

      3.387     1.667     0.847 peak   534 weight  1.00000E+00 volume  3.10696E+05 ppm1      8.270 ppm2      2.688
 ASSI {  535}
   (( segid "   A" and resid 2    and name  HN  ))
   (( segid "   A" and resid 2    and name  HB1 ))

      3.396     1.676     0.849 peak   535 weight  1.00000E+00 volume  3.29967E+05 ppm1      8.270 ppm2      2.624
 ASSI {  546}
   (( segid "   A" and resid 2    and name  HN  ))
   (( segid "   A" and resid 2    and name  HA  ))

      3.565     1.845     0.891 peak   546 weight  1.00000E+00 volume  2.29297E+05 ppm1      8.270 ppm2      4.585
 ASSI {  696}
   (( segid "   A" and resid 3    and name  HN  ))
   (( segid "   A" and resid 2    and name  HA  ))

      3.951     2.231     0.988 peak   696 weight  1.00000E+00 volume  1.13734E+05 ppm1      8.309 ppm2      4.593
 ASSI { 1466}
   (( segid "   A" and resid 3    and name  HD22))
   (( segid "   A" and resid 3    and name  HB2 ))

      3.857     2.137     0.964 peak  1466 weight  1.00000E+00 volume  2.78389E+05 ppm1      2.791 ppm2      7.553
 ASSI { 1475}
   (( segid "   A" and resid 3    and name  HA  ))
   (  segid "   A" and resid 3    and name  HB# )

      4.203     2.483     1.051 peak  1475 weight  1.00000E+00 volume  1.98924E+05 ppm1      4.610 ppm2      2.797
 ASSI {  683}
   (( segid "   A" and resid 3    and name  HD21))
   (( segid "   A" and resid 3    and name  HB2 ))

      3.469     1.749     0.867 peak   683 weight  1.00000E+00 volume  2.81714E+05 ppm1      6.830 ppm2      2.794
 ASSI { 1464}
   (( segid "   A" and resid 3    and name  HA  ))
   (( segid "   A" and resid 3    and name  HB2 ))

      4.142     2.422     1.035 peak  1464 weight  1.00000E+00 volume  2.19206E+05 ppm1      2.792 ppm2      4.610
 ASSI {  685}
   (( segid "   A" and resid 3    and name  HD22))
   (( segid "   A" and resid 3    and name  HA  ))

      4.516     2.796     1.129 peak   685 weight  1.00000E+00 volume  5.33822E+04 ppm1      7.557 ppm2      4.605
 ASSI {  684}
   (( segid "   A" and resid 3    and name  HD22))
   (  segid "   A" and resid 3    and name  HB# )

      3.259     1.539     0.815 peak   684 weight  1.00000E+00 volume  3.82248E+05 ppm1      7.558 ppm2      2.794
 ASSI {  689}
   (( segid "   A" and resid 3    and name  HD22))
   (( segid "   A" and resid 3    and name  HD21))

      2.460     0.740     0.615 peak   689 weight  1.00000E+00 volume  2.03905E+06 ppm1      6.834 ppm2      7.554
 ASSI {  697}
   (( segid "   A" and resid 3    and name  HN  ))
   (  segid "   A" and resid 3    and name  HB# )

      3.927     2.207     0.982 peak   697 weight  1.00000E+00 volume  1.01306E+05 ppm1      8.309 ppm2      2.791
 ASSI {  686}
   (( segid "   A" and resid 3    and name  HD21))
   (( segid "   A" and resid 3    and name  HA  ))

      5.165     3.445     1.291 peak   686 weight  1.00000E+00 volume  2.82229E+04 ppm1      6.829 ppm2      4.614
 ASSI { 1183}
   (( segid "   A" and resid 4    and name  HG1 ))
   (( segid "   A" and resid 4    and name  HA  ))

      3.512     1.792     0.878 peak  1183 weight  1.00000E+00 volume  6.51057E+05 ppm1      4.094 ppm2      1.148
 ASSI { 1324}
   (  segid "   A" and resid 4    and name  HG# )
   (  segid "   A" and resid 4    and name  HE# )

      3.270     1.550     0.817 peak  1324 weight  1.00000E+00 volume  1.20158E+06 ppm1      2.820 ppm2      1.168
 ASSI { 1332}
   (( segid "   A" and resid 4    and name  HA  ))
   (( segid "   A" and resid 4    and name  HB1 ))

      3.293     1.573     0.823 peak  1332 weight  1.00000E+00 volume  1.48972E+05 ppm1      1.680 ppm2      4.098
 ASSI { 1313}
   (( segid "   A" and resid 4    and name  HG1 ))
   (( segid "   A" and resid 4    and name  HB2 ))

      4.019     2.299     1.005 peak  1313 weight  1.00000E+00 volume  2.40165E+05 ppm1      1.148 ppm2      1.649
 ASSI { 1308}
   (  segid "   A" and resid 4    and name  HE# )
   (( segid "   A" and resid 4    and name  HB2 ))

      4.061     2.341     1.015 peak  1308 weight  1.00000E+00 volume  4.59734E+04 ppm1      1.645 ppm2      2.817
 ASSI { 1309}
   (  segid "   A" and resid 4    and name  HE# )
   (( segid "   A" and resid 4    and name  HB1 ))

      4.855     3.135     1.214 peak  1309 weight  1.00000E+00 volume  7.15392E+04 ppm1      1.682 ppm2      2.822
 ASSI { 1306}
   (( segid "   A" and resid 4    and name  HG2 ))
   (( segid "   A" and resid 4    and name  HA  ))

      3.579     1.859     0.895 peak  1306 weight  1.00000E+00 volume  1.71163E+05 ppm1      1.183 ppm2      4.095
 ASSI { 1316}
   (( segid "   A" and resid 4    and name  HG2 ))
   (  segid "   A" and resid 4    and name  HE# )

      3.863     2.143     0.966 peak  1316 weight  1.00000E+00 volume  3.24291E+05 ppm1      1.189 ppm2      2.824
 ASSI { 1311}
   (( segid "   A" and resid 4    and name  HG1 ))
   (( segid "   A" and resid 4    and name  HD1 ))

      3.717     1.997     0.929 peak  1311 weight  1.00000E+00 volume  3.76517E+05 ppm1      1.151 ppm2      1.403
 ASSI { 1186}
   (( segid "   A" and resid 4    and name  HA  ))
   (  segid "   A" and resid 4    and name  HE# )

      4.453     2.733     1.113 peak  1186 weight  1.00000E+00 volume  1.67801E+05 ppm1      4.098 ppm2      2.817
 ASSI { 1338}
   (( segid "   A" and resid 4    and name  HG2 ))
   (( segid "   A" and resid 4    and name  HB1 ))

      4.064     2.344     1.016 peak  1338 weight  1.00000E+00 volume  2.26172E+05 ppm1      1.187 ppm2      1.686
 ASSI { 1315}
   (( segid "   A" and resid 4    and name  HG1 ))
   (  segid "   A" and resid 4    and name  HE# )

      3.808     2.088     0.952 peak  1315 weight  1.00000E+00 volume  3.71091E+05 ppm1      1.148 ppm2      2.820
 ASSI { 1321}
   (  segid "   A" and resid 4    and name  HE# )
   (( segid "   A" and resid 4    and name  HD1 ))

      3.203     1.483     0.801 peak  1321 weight  1.00000E+00 volume  1.44435E+05 ppm1      1.403 ppm2      2.820
 ASSI { 1339}
   (( segid "   A" and resid 4    and name  HG1 ))
   (( segid "   A" and resid 4    and name  HB1 ))

      3.998     2.278     1.000 peak  1339 weight  1.00000E+00 volume  2.75060E+05 ppm1      1.148 ppm2      1.690
 ASSI { 1322}
   (  segid "   A" and resid 4    and name  HE# )
   (( segid "   A" and resid 4    and name  HD2 ))

      3.229     1.509     0.807 peak  1322 weight  1.00000E+00 volume  2.46640E+05 ppm1      1.452 ppm2      2.817
 ASSI { 1184}
   (( segid "   A" and resid 4    and name  HA  ))
   (( segid "   A" and resid 4    and name  HB2 ))

      3.274     1.554     0.818 peak  1184 weight  1.00000E+00 volume  8.77102E+05 ppm1      4.098 ppm2      1.640
 ASSI { 1317}
   (( segid "   A" and resid 4    and name  HB2 ))
   (( segid "   A" and resid 4    and name  HD1 ))

      3.470     1.750     0.867 peak  1317 weight  1.00000E+00 volume  1.05473E+06 ppm1      1.401 ppm2      1.666
 ASSI { 1312}
   (( segid "   A" and resid 4    and name  HG2 ))
   (( segid "   A" and resid 4    and name  HD1 ))

      3.795     2.075     0.949 peak  1312 weight  1.00000E+00 volume  3.52165E+05 ppm1      1.187 ppm2      1.406
 ASSI { 1319}
   (( segid "   A" and resid 4    and name  HG2 ))
   (( segid "   A" and resid 4    and name  HD2 ))

      3.851     2.131     0.963 peak  1319 weight  1.00000E+00 volume  3.04182E+05 ppm1      1.450 ppm2      1.175
 ASSI { 1318}
   (( segid "   A" and resid 4    and name  HB2 ))
   (( segid "   A" and resid 4    and name  HD2 ))

      3.388     1.668     0.847 peak  1318 weight  1.00000E+00 volume  1.02564E+06 ppm1      1.448 ppm2      1.666
 ASSI { 1335}
   (( segid "   A" and resid 4    and name  HG1 ))
   (( segid "   A" and resid 4    and name  HD2 ))

      3.830     2.110     0.958 peak  1335 weight  1.00000E+00 volume  3.28178E+05 ppm1      1.151 ppm2      1.450
 ASSI { 1310}
   (( segid "   A" and resid 4    and name  HA  ))
   (( segid "   A" and resid 4    and name  HD1 ))

      4.230     2.510     1.057 peak  1310 weight  1.00000E+00 volume  1.39907E+05 ppm1      4.098 ppm2      1.406
 ASSI { 1314}
   (( segid "   A" and resid 4    and name  HG2 ))
   (( segid "   A" and resid 4    and name  HB2 ))

      4.072     2.352     1.018 peak  1314 weight  1.00000E+00 volume  2.22416E+05 ppm1      1.189 ppm2      1.642
 ASSI { 1337}
   (( segid "   A" and resid 4    and name  HA  ))
   (( segid "   A" and resid 4    and name  HD2 ))

      4.357     2.637     1.089 peak  1337 weight  1.00000E+00 volume  1.00880E+05 ppm1      4.097 ppm2      1.450
 ASSI { 1330}
   (  segid "   A" and resid 4    and name  HE# )
   (  segid "   A" and resid 5    and name  HD# )

      5.849     4.129     1.462 peak  1330 weight  1.00000E+00 volume  6.61801E+04 ppm1      2.820 ppm2      7.163
 ASSI { 1534}
   (  segid "   A" and resid 4    and name  HG# )
   (  segid "   A" and resid 5    and name  HE# )

      6.286     4.566     1.571 peak  1534 weight  1.00000E+00 volume  3.43869E+04 ppm1      1.158 ppm2      6.681
 ASSI { 1331}
   (  segid "   A" and resid 4    and name  HE# )
   (( segid "   A" and resid 5    and name  HZ  ))

      5.115     3.395     1.279 peak  1331 weight  1.00000E+00 volume  4.79603E+04 ppm1      2.818 ppm2      7.090
 ASSI { 1305}
   (  segid "   A" and resid 4    and name  HE# )
   (  segid "   A" and resid 5    and name  HE# )

      5.361     3.641     1.340 peak  1305 weight  1.00000E+00 volume  1.27269E+05 ppm1      2.818 ppm2      6.684
 ASSI { 1522}
   (  segid "   A" and resid 5    and name  HE# )
   (  segid "   A" and resid 4    and name  HB# )

      6.387     4.667     1.597 peak  1522 weight  1.00000E+00 volume  3.64943E+04 ppm1      1.645 ppm2      6.680
 ASSI { 1131}
   (( segid "   A" and resid 5    and name  HB2 ))
   (( segid "   A" and resid 5    and name  HN  ))

      4.565     2.845     1.141 peak  1131 weight  1.00000E+00 volume  1.02299E+05 ppm1      3.066 ppm2      7.843
 ASSI {  782}
   (  segid "   A" and resid 5    and name  HB# )
   (( segid "   A" and resid 5    and name  HA  ))

      3.833     2.113     0.958 peak   782 weight  1.00000E+00 volume  2.99974E+05 ppm1      4.119 ppm2      3.063
 ASSI { 1181}
   (( segid "   A" and resid 5    and name  HA  ))
   (( segid "   A" and resid 5    and name  HN  ))

      4.511     2.791     1.128 peak  1181 weight  1.00000E+00 volume  8.89366E+04 ppm1      4.124 ppm2      7.842
 ASSI { 1130}
   (  segid "   A" and resid 5    and name  HB# )
   (  segid "   A" and resid 5    and name  HD# )

      5.054     3.334     1.263 peak  1130 weight  1.00000E+00 volume  1.02428E+05 ppm1      3.058 ppm2      7.160
 ASSI { 1526}
   (( segid "   A" and resid 6    and name  HD22))
   (  segid "   A" and resid 1    and name  HG# )

      5.970     4.250     1.493 peak  1526 weight  1.00000E+00 volume  6.96016E+04 ppm1      0.856 ppm2      6.907
 ASSI { 1444}
   (( segid "   A" and resid 6    and name  HB1 ))
   (( segid "   A" and resid 6    and name  HB2 ))

      3.793     2.073     0.948 peak  1444 weight  1.00000E+00 volume  2.89132E+05 ppm1      3.061 ppm2      2.825
 ASSI { 1443}
   (( segid "   A" and resid 6    and name  HB2 ))
   (( segid "   A" and resid 6    and name  HA  ))

      4.981     3.261     1.245 peak  1443 weight  1.00000E+00 volume  7.77562E+04 ppm1      4.511 ppm2      3.070
 ASSI { 1442}
   (( segid "   A" and resid 6    and name  HB1 ))
   (( segid "   A" and resid 6    and name  HA  ))

      4.724     3.004     1.181 peak  1442 weight  1.00000E+00 volume  7.41111E+04 ppm1      4.511 ppm2      2.829
 ASSI {  656}
   (( segid "   A" and resid 6    and name  HD22))
   (( segid "   A" and resid 6    and name  HA  ))

      4.760     3.040     1.190 peak   656 weight  1.00000E+00 volume  2.94705E+04 ppm1      6.913 ppm2      4.529
 ASSI {  657}
   (( segid "   A" and resid 6    and name  HD22))
   (( segid "   A" and resid 6    and name  HD21))

      3.165     1.445     0.791 peak   657 weight  1.00000E+00 volume  3.81270E+05 ppm1      6.904 ppm2      7.583
 ASSI {  653}
   (( segid "   A" and resid 6    and name  HD22))
   (( segid "   A" and resid 6    and name  HB1 ))

      4.264     2.544     1.066 peak   653 weight  1.00000E+00 volume  5.78888E+04 ppm1      6.904 ppm2      2.864
 ASSI {  698}
   (( segid "   A" and resid 6    and name  HD21))
   (( segid "   A" and resid 6    and name  HB2 ))

      5.012     3.292     1.253 peak   698 weight  1.00000E+00 volume  2.25536E+04 ppm1      7.583 ppm2      3.077
 ASSI {  651}
   (( segid "   A" and resid 6    and name  HD22))
   (( segid "   A" and resid 6    and name  HB2 ))

      4.579     2.859     1.145 peak   651 weight  1.00000E+00 volume  3.69734E+04 ppm1      6.907 ppm2      3.093
 ASSI {  655}
   (( segid "   A" and resid 6    and name  HD21))
   (( segid "   A" and resid 6    and name  HA  ))

      5.078     3.358     1.269 peak   655 weight  1.00000E+00 volume  2.55232E+04 ppm1      7.584 ppm2      4.529
 ASSI {  654}
   (( segid "   A" and resid 6    and name  HD21))
   (( segid "   A" and resid 6    and name  HB1 ))

      4.352     2.632     1.088 peak   654 weight  1.00000E+00 volume  4.50749E+04 ppm1      7.581 ppm2      2.870
 ASSI { 1128}
   (( segid "   A" and resid 6    and name  HB2 ))
   (( segid "   A" and resid 7    and name  HA  ))

      4.791     3.071     1.198 peak  1128 weight  1.00000E+00 volume  8.05769E+04 ppm1      3.058 ppm2      3.949
 ASSI { 1173}
   (( segid "   A" and resid 6    and name  HD22))
   (  segid "   A" and resid 9    and name  HE# )

      5.922     4.202     1.480 peak  1173 weight  1.00000E+00 volume  7.89939E+04 ppm1      1.671 ppm2      6.906
 ASSI { 1446}
   (( segid "   A" and resid 6    and name  HB1 ))
   (  segid "   A" and resid 9    and name  HE# )

      5.527     3.807     1.382 peak  1446 weight  1.00000E+00 volume  6.35775E+04 ppm1      2.837 ppm2      1.679
 ASSI { 1441}
   (( segid "   A" and resid 6    and name  HA  ))
   (  segid "   A" and resid 9    and name  HE# )

      6.569     4.849     1.431 peak  1441 weight  1.00000E+00 volume  3.88072E+04 ppm1      4.499 ppm2      1.679
 ASSI { 1447}
   (( segid "   A" and resid 6    and name  HB2 ))
   (  segid "   A" and resid 9    and name  HE# )

      5.613     3.893     1.403 peak  1447 weight  1.00000E+00 volume  6.72444E+04 ppm1      3.057 ppm2      1.675
 ASSI { 1376}
   (( segid "   A" and resid 7    and name  HG2 ))
   (( segid "   A" and resid 7    and name  HA  ))

      3.307     1.587     0.827 peak  1376 weight  1.00000E+00 volume  2.88359E+05 ppm1      1.664 ppm2      3.951
 ASSI { 1369}
   (  segid "   A" and resid 7    and name  HE# )
   (( segid "   A" and resid 7    and name  HG2 ))

      2.894     1.174     0.724 peak  1369 weight  1.00000E+00 volume  1.02015E+06 ppm1      1.665 ppm2      3.127
 ASSI { 1375}
   (( segid "   A" and resid 7    and name  HG1 ))
   (( segid "   A" and resid 7    and name  HA  ))

      3.702     1.982     0.926 peak  1375 weight  1.00000E+00 volume  2.78147E+05 ppm1      1.599 ppm2      3.955
 ASSI { 1382}
   (( segid "   A" and resid 7    and name  HD2 ))
   (( segid "   A" and resid 7    and name  HG2 ))

      3.041     1.321     0.760 peak  1382 weight  1.00000E+00 volume  8.78477E+05 ppm1      1.677 ppm2      1.842
 ASSI { 1204}
   (  segid "   A" and resid 7    and name  HE# )
   (( segid "   A" and resid 7    and name  HA  ))

      3.639     1.919     0.910 peak  1204 weight  1.00000E+00 volume  5.27750E+05 ppm1      3.128 ppm2      3.949
 ASSI { 1381}
   (( segid "   A" and resid 7    and name  HD1 ))
   (( segid "   A" and resid 7    and name  HG2 ))

      3.134     1.414     0.783 peak  1381 weight  1.00000E+00 volume  8.74314E+05 ppm1      1.670 ppm2      1.896
 ASSI { 1380}
   (( segid "   A" and resid 7    and name  HD1 ))
   (( segid "   A" and resid 7    and name  HG1 ))

      3.261     1.541     0.815 peak  1380 weight  1.00000E+00 volume  9.03789E+05 ppm1      1.598 ppm2      1.900
 ASSI { 1207}
   (  segid "   A" and resid 7    and name  HE# )
   (( segid "   A" and resid 7    and name  HG1 ))

      2.824     1.104     0.706 peak  1207 weight  1.00000E+00 volume  2.21487E+06 ppm1      3.131 ppm2      1.601
 ASSI { 1379}
   (( segid "   A" and resid 7    and name  HD2 ))
   (( segid "   A" and resid 7    and name  HG1 ))

      3.267     1.547     0.817 peak  1379 weight  1.00000E+00 volume  7.65521E+05 ppm1      1.598 ppm2      1.838
 ASSI { 1373}
   (( segid "   A" and resid 7    and name  HD2 ))
   (( segid "   A" and resid 7    and name  HA  ))

      3.575     1.855     0.894 peak  1373 weight  1.00000E+00 volume  2.90157E+05 ppm1      1.839 ppm2      3.955
 ASSI { 1372}
   (( segid "   A" and resid 7    and name  HD2 ))
   (  segid "   A" and resid 7    and name  HE# )

      4.076     2.356     1.019 peak  1372 weight  1.00000E+00 volume  2.31876E+05 ppm1      1.834 ppm2      3.124
 ASSI { 1205}
   (( segid "   A" and resid 7    and name  HD1 ))
   (  segid "   A" and resid 7    and name  HE# )

      3.398     1.678     0.849 peak  1205 weight  1.00000E+00 volume  7.64710E+05 ppm1      3.129 ppm2      1.896
 ASSI { 1391}
   (( segid "   A" and resid 7    and name  HD1 ))
   (( segid "   A" and resid 7    and name  HA  ))

      3.314     1.594     0.828 peak  1391 weight  1.00000E+00 volume  6.25861E+05 ppm1      3.945 ppm2      1.896
 ASSI { 1549}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 10   and name  HB2 ))

      4.653     2.933     1.163 peak  1549 weight  1.00000E+00 volume  9.80383E+04 ppm1      1.757 ppm2      3.969
 ASSI { 1437}
   (( segid "   A" and resid 8    and name  HG1 ))
   (( segid "   A" and resid 8    and name  HB1 ))

      3.300     1.580     0.825 peak  1437 weight  1.00000E+00 volume  8.04846E+05 ppm1      2.275 ppm2      2.059
 ASSI { 1220}
   (( segid "   A" and resid 8    and name  HA  ))
   (( segid "   A" and resid 8    and name  HB2 ))

      3.659     1.939     0.915 peak  1220 weight  1.00000E+00 volume  4.11458E+05 ppm1      1.959 ppm2      4.026
 ASSI { 1211}
   (( segid "   A" and resid 8    and name  HB1 ))
   (( segid "   A" and resid 8    and name  HB2 ))

      2.323     0.603     0.581 peak  1211 weight  1.00000E+00 volume  7.27631E+06 ppm1      1.954 ppm2      2.066
 ASSI { 1424}
   (( segid "   A" and resid 8    and name  HA  ))
   (( segid "   A" and resid 8    and name  HG1 ))

      3.743     2.023     0.936 peak  1424 weight  1.00000E+00 volume  4.12894E+05 ppm1      2.274 ppm2      4.014
 ASSI { 1423}
   (( segid "   A" and resid 8    and name  HA  ))
   (( segid "   A" and resid 8    and name  HG2 ))

      3.590     1.870     0.897 peak  1423 weight  1.00000E+00 volume  5.23423E+05 ppm1      2.321 ppm2      4.020
 ASSI { 1436}
   (( segid "   A" and resid 8    and name  HG1 ))
   (( segid "   A" and resid 8    and name  HB2 ))

      3.298     1.578     0.824 peak  1436 weight  1.00000E+00 volume  8.45692E+05 ppm1      2.267 ppm2      1.958
 ASSI { 1219}
   (( segid "   A" and resid 8    and name  HA  ))
   (( segid "   A" and resid 8    and name  HB1 ))

      3.691     1.971     0.923 peak  1219 weight  1.00000E+00 volume  3.82289E+05 ppm1      2.064 ppm2      4.026
 ASSI { 1166}
   (  segid "   A" and resid 9    and name  HE# )
   (  segid "   A" and resid 4    and name  HE# )

      5.681     3.961     1.420 peak  1166 weight  1.00000E+00 volume  1.05065E+05 ppm1      1.673 ppm2      2.819
 ASSI { 1133}
   (  segid "   A" and resid 9    and name  HE# )
   (( segid "   A" and resid 5    and name  HA  ))

      4.630     2.910     1.157 peak  1133 weight  1.00000E+00 volume  2.28492E+05 ppm1      4.117 ppm2      1.676
 ASSI { 1174}
   (  segid "   A" and resid 9    and name  HE# )
   (  segid "   A" and resid 5    and name  HE# )

      6.179     4.459     1.545 peak  1174 weight  1.00000E+00 volume  1.49737E+05 ppm1      1.673 ppm2      6.674
 ASSI { 1165}
   (  segid "   A" and resid 9    and name  HE# )
   (( segid "   A" and resid 5    and name  HB2 ))

      5.677     3.957     1.419 peak  1165 weight  1.00000E+00 volume  1.09381E+05 ppm1      1.673 ppm2      3.072
 ASSI { 1175}
   (  segid "   A" and resid 9    and name  HE# )
   (  segid "   A" and resid 5    and name  HD# )

      6.129     4.409     1.532 peak  1175 weight  1.00000E+00 volume  1.27640E+05 ppm1      1.674 ppm2      7.173
 ASSI { 1172}
   (  segid "   A" and resid 9    and name  HE# )
   (( segid "   A" and resid 5    and name  HZ  ))

      5.326     3.606     1.331 peak  1172 weight  1.00000E+00 volume  1.67118E+05 ppm1      1.674 ppm2      7.090
 ASSI { 1177}
   (  segid "   A" and resid 9    and name  HE# )
   (( segid "   A" and resid 5    and name  HN  ))

      6.435     4.715     1.565 peak  1177 weight  1.00000E+00 volume  5.88532E+04 ppm1      1.672 ppm2      7.842
 ASSI { 1507}
   (( segid "   A" and resid 9    and name  HG1 ))
   (( segid "   A" and resid 9    and name  HA  ))

      4.803     3.083     1.201 peak  1507 weight  1.00000E+00 volume  9.17115E+04 ppm1      2.497 ppm2      4.139
 ASSI { 1164}
   (  segid "   A" and resid 9    and name  HE# )
   (( segid "   A" and resid 9    and name  HB1 ))

      4.143     2.423     1.036 peak  1164 weight  1.00000E+00 volume  7.54090E+05 ppm1      1.674 ppm2      1.922
 ASSI { 1451}
   (( segid "   A" and resid 9    and name  HG1 ))
   (( segid "   A" and resid 9    and name  HG2 ))

      3.615     1.895     0.904 peak  1451 weight  1.00000E+00 volume  3.63510E+05 ppm1      2.364 ppm2      2.491
 ASSI { 1456}
   (( segid "   A" and resid 9    and name  HG1 ))
   (( segid "   A" and resid 9    and name  HB1 ))

      3.852     2.132     0.963 peak  1456 weight  1.00000E+00 volume  3.02301E+05 ppm1      2.491 ppm2      1.920
 ASSI { 1455}
   (( segid "   A" and resid 9    and name  HG2 ))
   (( segid "   A" and resid 9    and name  HB1 ))

      3.986     2.266     0.997 peak  1455 weight  1.00000E+00 volume  1.56888E+05 ppm1      2.368 ppm2      1.916
 ASSI { 1457}
   (( segid "   A" and resid 9    and name  HA  ))
   (( segid "   A" and resid 9    and name  HB1 ))

      3.735     2.015     0.934 peak  1457 weight  1.00000E+00 volume  3.47944E+05 ppm1      1.911 ppm2      4.161
 ASSI { 1167}
   (  segid "   A" and resid 9    and name  HE# )
   (( segid "   A" and resid 9    and name  HG1 ))

      4.451     2.731     1.113 peak  1167 weight  1.00000E+00 volume  5.08574E+05 ppm1      1.674 ppm2      2.490
 ASSI { 1168}
   (  segid "   A" and resid 9    and name  HE# )
   (( segid "   A" and resid 9    and name  HG2 ))

      4.810     3.090     1.202 peak  1168 weight  1.00000E+00 volume  3.11486E+05 ppm1      1.673 ppm2      2.367
 ASSI { 1163}
   (  segid "   A" and resid 9    and name  HE# )
   (( segid "   A" and resid 38   and name  HG1 ))

      4.687     2.967     1.172 peak  1163 weight  1.00000E+00 volume  3.64954E+05 ppm1      1.674 ppm2      2.045
 ASSI { 1537}
   (( segid "   A" and resid 10   and name  HA  ))
   (( segid "   A" and resid 10   and name  HB1 ))

      4.949     3.229     1.237 peak  1537 weight  1.00000E+00 volume  6.56985E+04 ppm1      1.833 ppm2      3.723
 ASSI { 1536}
   (( segid "   A" and resid 10   and name  HA  ))
   (( segid "   A" and resid 10   and name  HB2 ))

      4.651     2.931     1.163 peak  1536 weight  1.00000E+00 volume  8.22598E+04 ppm1      1.759 ppm2      3.722
 ASSI { 1232}
   (  segid "   A" and resid 11   and name  HB# )
   (( segid "   A" and resid 8    and name  HA  ))

      3.770     2.050     0.942 peak  1232 weight  1.00000E+00 volume  3.66143E+05 ppm1      4.012 ppm2      2.819
 ASSI {  700}
   (( segid "   A" and resid 11   and name  HD21))
   (  segid "   A" and resid 11   and name  HB# )

      3.626     1.906     0.907 peak   700 weight  1.00000E+00 volume  1.21995E+05 ppm1      6.970 ppm2      2.838
 ASSI {  701}
   (( segid "   A" and resid 11   and name  HD22))
   (  segid "   A" and resid 11   and name  HB# )

      3.639     1.919     0.910 peak   701 weight  1.00000E+00 volume  8.52361E+04 ppm1      7.661 ppm2      2.838
 ASSI { 1097}
   (  segid "   A" and resid 12   and name  HB# )
   (( segid "   A" and resid 9    and name  HA  ))

      4.486     2.766     1.122 peak  1097 weight  1.00000E+00 volume  2.32338E+05 ppm1      1.414 ppm2      4.155
 ASSI { 1098}
   (  segid "   A" and resid 12   and name  HB# )
   (( segid "   A" and resid 12   and name  HA  ))

      3.393     1.673     0.848 peak  1098 weight  1.00000E+00 volume  1.74017E+06 ppm1      4.055 ppm2      1.417
 ASSI {  329}
   (  segid "   A" and resid 12   and name  HB# )
   (( segid "   A" and resid 12   and name  HA  ))

      3.621     1.901     0.905 peak   329 weight  1.00000E+00 volume  1.39652E+06 ppm1      1.415 ppm2      4.059
 OR {  329}
   (( segid "   A" and resid 42   and name  HA  ))
   (  segid "   A" and resid 12   and name  HB# )
 ASSI { 1223}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 15   and name  HB2 ))

      3.646     1.926     0.912 peak  1223 weight  1.00000E+00 volume  3.98022E+05 ppm1      1.937 ppm2      4.056
 ASSI { 1546}
   (( segid "   A" and resid 13   and name  HB2 ))
   (( segid "   A" and resid 10   and name  HA  ))

      4.619     2.899     1.155 peak  1546 weight  1.00000E+00 volume  1.19690E+05 ppm1      2.995 ppm2      3.720
 ASSI { 1547}
   (( segid "   A" and resid 13   and name  HB1 ))
   (( segid "   A" and resid 10   and name  HA  ))

      5.307     3.587     1.327 peak  1547 weight  1.00000E+00 volume  2.92680E+04 ppm1      3.135 ppm2      3.716
 ASSI { 1543}
   (( segid "   A" and resid 13   and name  HB1 ))
   (  segid "   A" and resid 13   and name  HD# )

      7.366     5.646     0.634 peak  1543 weight  1.00000E+00 volume  2.26635E+04 ppm1      3.132 ppm2      6.664
 ASSI { 1495}
   (( segid "   A" and resid 13   and name  HB1 ))
   (( segid "   A" and resid 13   and name  HB2 ))

      3.394     1.674     0.848 peak  1495 weight  1.00000E+00 volume  1.61504E+05 ppm1      2.995 ppm2      3.178
 ASSI { 1558}
   (( segid "   A" and resid 13   and name  HB2 ))
   (( segid "   A" and resid 13   and name  HA  ))

      4.715     2.995     1.179 peak  1558 weight  1.00000E+00 volume  4.96837E+04 ppm1      3.980 ppm2      2.994
 ASSI { 1542}
   (( segid "   A" and resid 13   and name  HB2 ))
   (  segid "   A" and resid 13   and name  HD# )

      7.090     5.370     0.910 peak  1542 weight  1.00000E+00 volume  3.39821E+04 ppm1      2.987 ppm2      6.674
 ASSI { 1115}
   (( segid "   A" and resid 14   and name  HA  ))
   (( segid "   A" and resid 14   and name  HB1 ))

      4.332     2.612     1.083 peak  1115 weight  1.00000E+00 volume  1.53895E+05 ppm1      4.243 ppm2      3.231
 ASSI { 1114}
   (( segid "   A" and resid 14   and name  HA  ))
   (( segid "   A" and resid 14   and name  HB2 ))

      4.198     2.478     1.050 peak  1114 weight  1.00000E+00 volume  1.63716E+05 ppm1      4.248 ppm2      3.342
 ASSI { 1118}
   (( segid "   A" and resid 14   and name  HA  ))
   (( segid "   A" and resid 14   and name  HE3 ))

      4.203     2.483     1.051 peak  1118 weight  1.00000E+00 volume  1.96389E+05 ppm1      4.253 ppm2      7.440
 ASSI { 1478}
   (( segid "   A" and resid 14   and name  HB1 ))
   (( segid "   A" and resid 14   and name  HB2 ))

      5.302     3.582     1.326 peak  1478 weight  1.00000E+00 volume  4.71376E+04 ppm1      3.341 ppm2      3.229
 ASSI { 1221}
   (( segid "   A" and resid 15   and name  HA  ))
   (( segid "   A" and resid 15   and name  HB1 ))

      4.053     2.333     1.013 peak  1221 weight  1.00000E+00 volume  2.09265E+05 ppm1      2.051 ppm2      3.862
 ASSI { 1269}
   (( segid "   A" and resid 15   and name  HG2 ))
   (( segid "   A" and resid 15   and name  HN  ))

      4.167     2.447     1.042 peak  1269 weight  1.00000E+00 volume  1.91186E+05 ppm1      2.330 ppm2      8.162
 OR { 1269}
   (( segid "   A" and resid 15   and name  HN  ))
   (( segid "   A" and resid 15   and name  HG1 ))
 ASSI { 1261}
   (( segid "   A" and resid 15   and name  HA  ))
   (( segid "   A" and resid 15   and name  HN  ))

      4.389     2.669     1.097 peak  1261 weight  1.00000E+00 volume  1.56303E+05 ppm1      3.858 ppm2      8.145
 ASSI { 1222}
   (( segid "   A" and resid 15   and name  HA  ))
   (( segid "   A" and resid 15   and name  HB2 ))

      3.796     2.076     0.949 peak  1222 weight  1.00000E+00 volume  3.55081E+05 ppm1      1.932 ppm2      3.861
 ASSI { 1255}
   (( segid "   A" and resid 15   and name  HA  ))
   (  segid "   A" and resid 15   and name  HG# )

      4.044     2.324     1.011 peak  1255 weight  1.00000E+00 volume  1.95999E+05 ppm1      3.853 ppm2      2.330
 ASSI { 1262}
   (( segid "   A" and resid 15   and name  HB1 ))
   (( segid "   A" and resid 15   and name  HN  ))

      4.162     2.442     1.040 peak  1262 weight  1.00000E+00 volume  1.75344E+05 ppm1      2.053 ppm2      8.158
 ASSI { 1266}
   (( segid "   A" and resid 15   and name  HB2 ))
   (  segid "   A" and resid 15   and name  HG# )

      3.232     1.512     0.808 peak  1266 weight  1.00000E+00 volume  9.37221E+05 ppm1      2.328 ppm2      1.929
 ASSI { 1267}
   (( segid "   A" and resid 15   and name  HB1 ))
   (  segid "   A" and resid 15   and name  HG# )

      3.044     1.324     0.761 peak  1267 weight  1.00000E+00 volume  1.28698E+06 ppm1      2.330 ppm2      2.054
 ASSI {  328}
   (  segid "   A" and resid 16   and name  HD1#)
   (  segid "   A" and resid 12   and name  HB# )

      5.675     3.955     1.419 peak   328 weight  1.00000E+00 volume  3.71932E+05 ppm1      1.415 ppm2      0.471
 ASSI { 1127}
   (  segid "   A" and resid 16   and name  HD1#)
   (( segid "   A" and resid 12   and name  HA  ))

      5.637     3.917     1.409 peak  1127 weight  1.00000E+00 volume  1.12075E+05 ppm1      0.469 ppm2      4.052
 ASSI { 1557}
   (( segid "   A" and resid 16   and name  HB  ))
   (( segid "   A" and resid 13   and name  HA  ))

      3.898     2.178     0.974 peak  1557 weight  1.00000E+00 volume  1.57898E+05 ppm1      3.976 ppm2      1.737
 ASSI { 1120}
   (  segid "   A" and resid 16   and name  HD1#)
   (( segid "   A" and resid 16   and name  HB  ))

      3.853     2.133     0.963 peak  1120 weight  1.00000E+00 volume  1.04018E+06 ppm1      0.470 ppm2      1.739
 ASSI {  356}
   (  segid "   A" and resid 16   and name  HD1#)
   (( segid "   A" and resid 16   and name  HA  ))

      4.592     2.872     1.148 peak   356 weight  1.00000E+00 volume  4.02616E+05 ppm1      0.472 ppm2      3.410
 ASSI { 1140}
   (( segid "   A" and resid 16   and name  HA  ))
   (  segid "   A" and resid 16   and name  HG2#)

      5.670     3.950     1.417 peak  1140 weight  1.00000E+00 volume  5.41002E+04 ppm1      0.737 ppm2      3.404
 ASSI { 1135}
   (( segid "   A" and resid 16   and name  HA  ))
   (( segid "   A" and resid 16   and name  HB  ))

      4.496     2.776     1.124 peak  1135 weight  1.00000E+00 volume  1.31073E+05 ppm1      3.409 ppm2      1.706
 ASSI { 1139}
   (  segid "   A" and resid 16   and name  HG2#)
   (( segid "   A" and resid 16   and name  HB  ))

      4.984     3.264     1.246 peak  1139 weight  1.00000E+00 volume  8.82162E+04 ppm1      0.741 ppm2      1.717
 ASSI { 1148}
   (  segid "   A" and resid 16   and name  HD1#)
   (  segid "   A" and resid 16   and name  HG2#)

      4.681     2.961     1.170 peak  1148 weight  1.00000E+00 volume  8.54497E+05 ppm1      0.735 ppm2      0.483
 ASSI { 1138}
   (( segid "   A" and resid 16   and name  HA  ))
   (( segid "   A" and resid 19   and name  HG  ))

      4.670     2.950     1.167 peak  1138 weight  1.00000E+00 volume  1.01756E+05 ppm1      3.413 ppm2      2.301
 ASSI { 1154}
   (  segid "   A" and resid 16   and name  HG2#)
   (  segid "   A" and resid 27   and name  HB# )

      4.651     2.931     1.163 peak  1154 weight  1.00000E+00 volume  3.02210E+05 ppm1      0.741 ppm2      1.636
 ASSI {  908}
   (  segid "   A" and resid 16   and name  HD1#)
   (( segid "   A" and resid 27   and name  HA  ))

      5.740     4.020     1.435 peak   908 weight  1.00000E+00 volume  8.78613E+04 ppm1      3.773 ppm2      0.496
 OR {  908}
   (  segid "   A" and resid 31   and name  HD1#)
   (( segid "   A" and resid 27   and name  HA  ))
 ASSI { 1146}
   (  segid "   A" and resid 16   and name  HG2#)
   (( segid "   A" and resid 27   and name  HA  ))

      4.766     3.046     1.192 peak  1146 weight  1.00000E+00 volume  1.76771E+05 ppm1      0.743 ppm2      3.783
 ASSI {  939}
   (  segid "   A" and resid 16   and name  HD1#)
   (( segid "   A" and resid 30   and name  HA  ))

      5.544     3.824     1.386 peak   939 weight  1.00000E+00 volume  1.09311E+05 ppm1      4.259 ppm2      0.469
 ASSI {  940}
   (  segid "   A" and resid 16   and name  HG2#)
   (( segid "   A" and resid 30   and name  HA  ))

      5.089     3.369     1.272 peak   940 weight  1.00000E+00 volume  2.12638E+05 ppm1      4.258 ppm2      0.738
 ASSI {    4}
   (  segid "   A" and resid 16   and name  HD1#)
   (( segid "   A" and resid 30   and name  HB1 ))

      4.770     3.050     1.192 peak     4 weight  1.00000E+00 volume  3.43486E+05 ppm1      0.472 ppm2      2.912
 ASSI {    3}
   (  segid "   A" and resid 16   and name  HD1#)
   (( segid "   A" and resid 30   and name  HB2 ))

      4.863     3.143     1.216 peak     3 weight  1.00000E+00 volume  2.90363E+05 ppm1      0.472 ppm2      3.023
 ASSI { 1237}
   (  segid "   A" and resid 16   and name  HD1#)
   (( segid "   A" and resid 31   and name  HG11))

      4.162     2.442     1.040 peak  1237 weight  1.00000E+00 volume  6.05150E+05 ppm1      0.470 ppm2      1.605
 ASSI { 1123}
   (  segid "   A" and resid 16   and name  HD1#)
   (( segid "   A" and resid 31   and name  HN  ))

      4.649     2.929     1.162 peak  1123 weight  1.00000E+00 volume  3.49818E+05 ppm1      0.472 ppm2      8.332
 OR { 1123}
   (( segid "   A" and resid 45   and name  HN  ))
   (  segid "   A" and resid 16   and name  HD1#)
 ASSI { 1238}
   (  segid "   A" and resid 16   and name  HD1#)
   (( segid "   A" and resid 34   and name  HG  ))

      5.465     3.745     1.366 peak  1238 weight  1.00000E+00 volume  1.18814E+05 ppm1      1.545 ppm2      0.469
 ASSI { 1000}
   (  segid "   A" and resid 16   and name  HD1#)
   (  segid "   A" and resid 34   and name  HD# )

      3.989     2.269     0.997 peak  1000 weight  1.00000E+00 volume  8.42503E+05 ppm1      0.813 ppm2      0.478
 ASSI {  669}
   (  segid "   A" and resid 16   and name  HD1#)
   (  segid "   A" and resid 44   and name  HD2#)

      6.071     4.351     1.518 peak   669 weight  1.00000E+00 volume  2.95495E+05 ppm1      1.041 ppm2      0.461
 ASSI { 1132}
   (  segid "   A" and resid 16   and name  HD1#)
   (( segid "   A" and resid 44   and name  HA  ))

      6.008     4.288     1.502 peak  1132 weight  1.00000E+00 volume  7.11904E+04 ppm1      0.470 ppm2      4.119
 ASSI { 1530}
   (  segid "   A" and resid 16   and name  HD1#)
   (( segid "   A" and resid 44   and name  HB1 ))

      6.157     4.437     1.539 peak  1530 weight  1.00000E+00 volume  6.46115E+04 ppm1      1.252 ppm2      0.461
 ASSI { 1529}
   (  segid "   A" and resid 16   and name  HD1#)
   (( segid "   A" and resid 44   and name  HB2 ))

      5.628     3.908     1.407 peak  1529 weight  1.00000E+00 volume  9.02071E+04 ppm1      1.809 ppm2      0.441
 ASSI {  568}
   (  segid "   A" and resid 16   and name  HD1#)
   (  segid "   A" and resid 45   and name  HD1#)

      4.325     2.605     1.081 peak   568 weight  1.00000E+00 volume  1.40573E+06 ppm1      0.827 ppm2      0.459
 ASSI {  557}
   (( segid "   A" and resid 16   and name  HA  ))
   (  segid "   A" and resid 45   and name  HD1#)

      4.922     3.202     1.230 peak   557 weight  1.00000E+00 volume  2.55971E+05 ppm1      0.825 ppm2      3.404
 OR {  557}
   (( segid "   A" and resid 16   and name  HA  ))
   (  segid "   A" and resid 45   and name  HD2#)
 ASSI { 1511}
   (  segid "   A" and resid 17   and name  HB# )
   (  segid "   A" and resid 13   and name  HE# )

      7.117     5.397     0.883 peak  1511 weight  1.00000E+00 volume  4.92053E+04 ppm1      1.149 ppm2      6.836
 ASSI { 1106}
   (  segid "   A" and resid 17   and name  HB# )
   (( segid "   A" and resid 14   and name  HA  ))

      4.638     2.918     1.159 peak  1106 weight  1.00000E+00 volume  1.03465E+05 ppm1      1.151 ppm2      4.252
 ASSI { 1263}
   (( segid "   A" and resid 17   and name  HN  ))
   (( segid "   A" and resid 15   and name  HA  ))

      4.902     3.182     1.225 peak  1263 weight  1.00000E+00 volume  6.13369E+04 ppm1      3.855 ppm2      8.056
 ASSI { 1143}
   (( segid "   A" and resid 17   and name  HN  ))
   (( segid "   A" and resid 16   and name  HA  ))

      4.728     3.008     1.182 peak  1143 weight  1.00000E+00 volume  8.19391E+04 ppm1      3.418 ppm2      8.009
 ASSI { 1150}
   (( segid "   A" and resid 17   and name  HN  ))
   (  segid "   A" and resid 16   and name  HG2#)

      5.200     3.480     1.300 peak  1150 weight  1.00000E+00 volume  1.65450E+05 ppm1      0.737 ppm2      7.979
 ASSI { 1147}
   (( segid "   A" and resid 17   and name  HA  ))
   (  segid "   A" and resid 16   and name  HG2#)

      6.148     4.428     1.537 peak  1147 weight  1.00000E+00 volume  8.17957E+04 ppm1      0.743 ppm2      3.673
 ASSI {   59}
   (( segid "   A" and resid 17   and name  HA  ))
   (  segid "   A" and resid 17   and name  HB# )

      4.380     2.660     1.095 peak    59 weight  1.00000E+00 volume  3.42903E+05 ppm1      1.154 ppm2      3.662
 ASSI {  421}
   (( segid "   A" and resid 17   and name  HN  ))
   (( segid "   A" and resid 17   and name  HA  ))

      4.616     2.896     1.154 peak   421 weight  1.00000E+00 volume  2.34363E+04 ppm1      8.002 ppm2      3.667
 ASSI {  422}
   (( segid "   A" and resid 17   and name  HN  ))
   (  segid "   A" and resid 17   and name  HB# )

      4.719     2.999     1.180 peak   422 weight  1.00000E+00 volume  6.87974E+04 ppm1      8.002 ppm2      1.161
 ASSI { 1107}
   (  segid "   A" and resid 17   and name  HB# )
   (( segid "   A" and resid 31   and name  HB  ))

      5.652     3.932     1.413 peak  1107 weight  1.00000E+00 volume  1.06487E+05 ppm1      1.156 ppm2      1.681
 ASSI {  961}
   (( segid "   A" and resid 17   and name  HN  ))
   (  segid "   A" and resid 31   and name  HD1#)

      5.121     3.401     1.280 peak   961 weight  1.00000E+00 volume  1.96373E+05 ppm1      0.522 ppm2      7.997
 ASSI { 1260}
   (( segid "   A" and resid 19   and name  HN  ))
   (( segid "   A" and resid 15   and name  HA  ))

      4.506     2.786     1.126 peak  1260 weight  1.00000E+00 volume  1.27569E+05 ppm1      3.858 ppm2      7.398
 ASSI { 1500}
   (( segid "   A" and resid 19   and name  HB1 ))
   (( segid "   A" and resid 16   and name  HA  ))

      6.295     4.575     1.574 peak  1500 weight  1.00000E+00 volume  2.54299E+04 ppm1      1.320 ppm2      3.403
 ASSI { 1137}
   (  segid "   A" and resid 19   and name  HD1#)
   (( segid "   A" and resid 16   and name  HA  ))

      4.606     2.886     1.151 peak  1137 weight  1.00000E+00 volume  3.12125E+05 ppm1      3.413 ppm2      0.774
 ASSI { 1136}
   (  segid "   A" and resid 19   and name  HD2#)
   (( segid "   A" and resid 16   and name  HA  ))

      4.466     2.746     1.116 peak  1136 weight  1.00000E+00 volume  3.98743E+05 ppm1      3.413 ppm2      0.672
 ASSI { 1520}
   (( segid "   A" and resid 19   and name  HN  ))
   (  segid "   A" and resid 16   and name  HG2#)

      6.903     5.183     1.097 peak  1520 weight  1.00000E+00 volume  4.62960E+04 ppm1      0.740 ppm2      7.391
 ASSI {  411}
   (( segid "   A" and resid 19   and name  HN  ))
   (( segid "   A" and resid 16   and name  HA  ))

      4.696     2.976     1.174 peak   411 weight  1.00000E+00 volume  5.06342E+04 ppm1      7.368 ppm2      3.412
 ASSI { 1109}
   (( segid "   A" and resid 19   and name  HN  ))
   (  segid "   A" and resid 17   and name  HB# )

      4.916     3.196     1.229 peak  1109 weight  1.00000E+00 volume  2.00499E+05 ppm1      1.151 ppm2      7.389
 ASSI { 1102}
   (( segid "   A" and resid 19   and name  HN  ))
   (( segid "   A" and resid 17   and name  HA  ))

      4.973     3.253     1.243 peak  1102 weight  1.00000E+00 volume  9.25071E+04 ppm1      3.665 ppm2      7.387
 ASSI {  406}
   (( segid "   A" and resid 19   and name  HN  ))
   (( segid "   A" and resid 17   and name  HN  ))

      4.782     3.062     1.195 peak   406 weight  1.00000E+00 volume  3.41926E+04 ppm1      7.368 ppm2      8.002
 ASSI { 1067}
   (  segid "   A" and resid 19   and name  HD2#)
   (  segid "   A" and resid 19   and name  HD1#)

      4.081     2.361     1.020 peak  1067 weight  1.00000E+00 volume  2.37862E+06 ppm1      0.661 ppm2      0.779
 ASSI { 1029}
   (( segid "   A" and resid 19   and name  HG  ))
   (( segid "   A" and resid 19   and name  HA  ))

      5.017     3.297     1.254 peak  1029 weight  1.00000E+00 volume  6.59777E+04 ppm1      2.313 ppm2      4.308
 ASSI { 1016}
   (( segid "   A" and resid 19   and name  HB2 ))
   (( segid "   A" and resid 19   and name  HA  ))

      4.821     3.101     1.205 peak  1016 weight  1.00000E+00 volume  4.07468E+04 ppm1      1.771 ppm2      4.296
 ASSI { 1035}
   (  segid "   A" and resid 19   and name  HD2#)
   (( segid "   A" and resid 19   and name  HG  ))

      4.223     2.503     1.056 peak  1035 weight  1.00000E+00 volume  3.92971E+05 ppm1      2.312 ppm2      0.665
 ASSI { 1017}
   (( segid "   A" and resid 19   and name  HB2 ))
   (( segid "   A" and resid 19   and name  HG  ))

      4.506     2.786     1.127 peak  1017 weight  1.00000E+00 volume  7.40348E+04 ppm1      1.766 ppm2      2.315
 ASSI { 1040}
   (  segid "   A" and resid 19   and name  HD1#)
   (( segid "   A" and resid 19   and name  HA  ))

      3.803     2.083     0.951 peak  1040 weight  1.00000E+00 volume  6.46081E+05 ppm1      4.306 ppm2      0.775
 ASSI { 1022}
   (( segid "   A" and resid 19   and name  HB1 ))
   (  segid "   A" and resid 19   and name  HD2#)

      4.376     2.656     1.094 peak  1022 weight  1.00000E+00 volume  1.99729E+05 ppm1      1.307 ppm2      0.673
 ASSI { 1023}
   (( segid "   A" and resid 19   and name  HB1 ))
   (  segid "   A" and resid 19   and name  HD1#)

      3.999     2.279     1.000 peak  1023 weight  1.00000E+00 volume  2.46917E+05 ppm1      1.312 ppm2      0.785
 ASSI {  413}
   (( segid "   A" and resid 19   and name  HN  ))
   (( segid "   A" and resid 19   and name  HB2 ))

      3.813     2.093     0.953 peak   413 weight  1.00000E+00 volume  1.33289E+05 ppm1      7.369 ppm2      1.765
 ASSI { 1034}
   (  segid "   A" and resid 19   and name  HD1#)
   (( segid "   A" and resid 19   and name  HG  ))

      3.854     2.134     0.964 peak  1034 weight  1.00000E+00 volume  4.62650E+05 ppm1      2.311 ppm2      0.777
 ASSI { 1020}
   (( segid "   A" and resid 19   and name  HB2 ))
   (  segid "   A" and resid 19   and name  HD1#)

      3.805     2.085     0.951 peak  1020 weight  1.00000E+00 volume  1.72720E+05 ppm1      1.764 ppm2      0.780
 ASSI { 1039}
   (  segid "   A" and resid 19   and name  HD2#)
   (( segid "   A" and resid 19   and name  HA  ))

      5.086     3.366     1.271 peak  1039 weight  1.00000E+00 volume  1.76274E+05 ppm1      4.306 ppm2      0.657
 ASSI { 1027}
   (( segid "   A" and resid 19   and name  HB1 ))
   (( segid "   A" and resid 19   and name  HA  ))

      5.524     3.804     1.381 peak  1027 weight  1.00000E+00 volume  4.30766E+04 ppm1      1.311 ppm2      4.294
 ASSI { 1025}
   (( segid "   A" and resid 19   and name  HB1 ))
   (( segid "   A" and resid 19   and name  HG  ))

      4.831     3.111     1.208 peak  1025 weight  1.00000E+00 volume  5.82572E+04 ppm1      1.312 ppm2      2.303
 ASSI { 1019}
   (( segid "   A" and resid 19   and name  HB1 ))
   (( segid "   A" and resid 19   and name  HB2 ))

      4.414     2.694     1.103 peak  1019 weight  1.00000E+00 volume  1.23119E+05 ppm1      1.767 ppm2      1.306
 ASSI { 1021}
   (( segid "   A" and resid 19   and name  HB2 ))
   (  segid "   A" and resid 19   and name  HD2#)

      4.171     2.451     1.043 peak  1021 weight  1.00000E+00 volume  1.85970E+05 ppm1      1.767 ppm2      0.668
 ASSI {  418}
   (( segid "   A" and resid 19   and name  HN  ))
   (  segid "   A" and resid 19   and name  HD1#)

      4.151     2.431     1.038 peak   418 weight  1.00000E+00 volume  2.95295E+05 ppm1      7.369 ppm2      0.778
 ASSI {  407}
   (( segid "   A" and resid 19   and name  HN  ))
   (( segid "   A" and resid 19   and name  HA  ))

      4.038     2.318     1.009 peak   407 weight  1.00000E+00 volume  1.05296E+05 ppm1      7.367 ppm2      4.298
 ASSI {  419}
   (( segid "   A" and resid 19   and name  HN  ))
   (  segid "   A" and resid 19   and name  HD2#)

      4.192     2.472     1.048 peak   419 weight  1.00000E+00 volume  2.70508E+05 ppm1      7.369 ppm2      0.664
 ASSI {  412}
   (( segid "   A" and resid 19   and name  HN  ))
   (( segid "   A" and resid 19   and name  HG  ))

      3.752     2.032     0.938 peak   412 weight  1.00000E+00 volume  1.50547E+05 ppm1      7.368 ppm2      2.307
 ASSI {  416}
   (( segid "   A" and resid 19   and name  HN  ))
   (( segid "   A" and resid 19   and name  HB1 ))

      4.067     2.347     1.017 peak   416 weight  1.00000E+00 volume  1.02470E+05 ppm1      7.369 ppm2      1.307
 ASSI {  171}
   (  segid "   A" and resid 19   and name  HD1#)
   (( segid "   A" and resid 20   and name  HG1 ))

      5.668     3.948     1.417 peak   171 weight  1.00000E+00 volume  1.34080E+05 ppm1      2.118 ppm2      0.783
 ASSI {  172}
   (  segid "   A" and resid 19   and name  HD1#)
   (( segid "   A" and resid 20   and name  HG2 ))

      5.299     3.579     1.325 peak   172 weight  1.00000E+00 volume  1.22302E+05 ppm1      1.999 ppm2      0.790
 ASSI {  410}
   (( segid "   A" and resid 19   and name  HN  ))
   (( segid "   A" and resid 20   and name  HD1 ))

      4.360     2.640     1.090 peak   410 weight  1.00000E+00 volume  7.00941E+04 ppm1      7.367 ppm2      3.706
 ASSI {  409}
   (( segid "   A" and resid 19   and name  HN  ))
   (( segid "   A" and resid 20   and name  HD2 ))

      4.550     2.830     1.138 peak   409 weight  1.00000E+00 volume  4.94442E+04 ppm1      7.369 ppm2      3.917
 ASSI {  804}
   (  segid "   A" and resid 19   and name  HD2#)
   (( segid "   A" and resid 22   and name  HG  ))

      5.025     3.305     1.256 peak   804 weight  1.00000E+00 volume  1.95423E+05 ppm1      1.685 ppm2      0.665
 ASSI {   28}
   (( segid "   A" and resid 19   and name  HB2 ))
   (  segid "   A" and resid 48   and name  HB# )

      4.696     2.976     1.174 peak    28 weight  1.00000E+00 volume  3.82141E+05 ppm1      0.427 ppm2      1.770
 ASSI {    8}
   (  segid "   A" and resid 19   and name  HD2#)
   (  segid "   A" and resid 48   and name  HB# )

      4.684     2.964     1.171 peak     8 weight  1.00000E+00 volume  1.07549E+06 ppm1      0.426 ppm2      0.666
 ASSI { 1060}
   (  segid "   A" and resid 19   and name  HD2#)
   (( segid "   A" and resid 48   and name  HA  ))

      4.331     2.611     1.083 peak  1060 weight  1.00000E+00 volume  6.16144E+05 ppm1      0.661 ppm2      3.406
 OR { 1060}
   (  segid "   A" and resid 19   and name  HD2#)
   (( segid "   A" and resid 16   and name  HA  ))
 ASSI {   75}
   (  segid "   A" and resid 19   and name  HD2#)
   (( segid "   A" and resid 48   and name  HA  ))

      5.485     3.765     1.371 peak    75 weight  1.00000E+00 volume  1.26061E+05 ppm1      3.396 ppm2      0.669
 ASSI {  510}
   (  segid "   A" and resid 19   and name  HD1#)
   (( segid "   A" and resid 49   and name  HG2 ))

      4.440     2.720     1.110 peak   510 weight  1.00000E+00 volume  4.26313E+05 ppm1      1.296 ppm2      0.805
 ASSI { 1303}
   (  segid "   A" and resid 19   and name  HD2#)
   (( segid "   A" and resid 49   and name  HD2 ))

      5.280     3.560     1.320 peak  1303 weight  1.00000E+00 volume  1.05325E+05 ppm1      1.618 ppm2      0.664
 ASSI {  511}
   (  segid "   A" and resid 19   and name  HD2#)
   (( segid "   A" and resid 49   and name  HG2 ))

      5.234     3.514     1.309 peak   511 weight  1.00000E+00 volume  1.95000E+05 ppm1      1.295 ppm2      0.663
 ASSI {  512}
   (  segid "   A" and resid 19   and name  HD2#)
   (( segid "   A" and resid 49   and name  HG1 ))

      5.195     3.475     1.299 peak   512 weight  1.00000E+00 volume  1.69762E+05 ppm1      1.569 ppm2      0.666
 ASSI { 1065}
   (  segid "   A" and resid 19   and name  HD2#)
   (( segid "   A" and resid 49   and name  HD1 ))

      4.529     2.809     1.132 peak  1065 weight  1.00000E+00 volume  4.93529E+05 ppm1      0.661 ppm2      1.576
 OR { 1065}
   (  segid "   A" and resid 19   and name  HD2#)
   (( segid "   A" and resid 49   and name  HG1 ))
 ASSI { 1304}
   (  segid "   A" and resid 19   and name  HD2#)
   (( segid "   A" and resid 49   and name  HD1 ))

      5.335     3.615     1.334 peak  1304 weight  1.00000E+00 volume  1.24775E+05 ppm1      1.566 ppm2      0.662
 ASSI { 1063}
   (  segid "   A" and resid 19   and name  HD2#)
   (( segid "   A" and resid 49   and name  HB1 ))

      5.391     3.671     1.348 peak  1063 weight  1.00000E+00 volume  1.86711E+05 ppm1      0.660 ppm2      1.896
 ASSI {  156}
   (( segid "   A" and resid 20   and name  HD1 ))
   (( segid "   A" and resid 19   and name  HA  ))

      3.824     2.104     0.956 peak   156 weight  1.00000E+00 volume  2.84296E+05 ppm1      3.712 ppm2      4.306
 ASSI {  158}
   (( segid "   A" and resid 20   and name  HD1 ))
   (  segid "   A" and resid 19   and name  HD1#)

      3.936     2.216     0.984 peak   158 weight  1.00000E+00 volume  3.13542E+05 ppm1      3.710 ppm2      0.782
 ASSI { 1030}
   (( segid "   A" and resid 20   and name  HD1 ))
   (( segid "   A" and resid 19   and name  HG  ))

      4.921     3.201     1.230 peak  1030 weight  1.00000E+00 volume  7.85599E+04 ppm1      2.313 ppm2      3.705
 ASSI { 1498}
   (( segid "   A" and resid 20   and name  HD2 ))
   (( segid "   A" and resid 19   and name  HB1 ))

      5.502     3.782     1.376 peak  1498 weight  1.00000E+00 volume  4.90214E+04 ppm1      1.318 ppm2      3.921
 ASSI {  151}
   (( segid "   A" and resid 20   and name  HD2 ))
   (( segid "   A" and resid 19   and name  HA  ))

      4.009     2.289     1.002 peak   151 weight  1.00000E+00 volume  2.55471E+05 ppm1      3.931 ppm2      4.302
 ASSI { 1043}
   (( segid "   A" and resid 20   and name  HG2 ))
   (( segid "   A" and resid 19   and name  HA  ))

      4.533     2.813     1.133 peak  1043 weight  1.00000E+00 volume  8.22835E+04 ppm1      4.308 ppm2      2.012
 ASSI { 1499}
   (( segid "   A" and resid 20   and name  HD1 ))
   (( segid "   A" and resid 19   and name  HB1 ))

      6.131     4.411     1.533 peak  1499 weight  1.00000E+00 volume  2.61901E+04 ppm1      1.319 ppm2      3.703
 ASSI { 1044}
   (( segid "   A" and resid 20   and name  HG1 ))
   (( segid "   A" and resid 19   and name  HA  ))

      4.493     2.773     1.123 peak  1044 weight  1.00000E+00 volume  8.89762E+04 ppm1      4.311 ppm2      2.129
 ASSI {  157}
   (( segid "   A" and resid 20   and name  HD2 ))
   (  segid "   A" and resid 19   and name  HD1#)

      4.072     2.352     1.018 peak   157 weight  1.00000E+00 volume  3.11965E+05 ppm1      3.932 ppm2      0.775
 ASSI {  152}
   (( segid "   A" and resid 20   and name  HD1 ))
   (( segid "   A" and resid 20   and name  HB1 ))

      4.318     2.598     1.080 peak   152 weight  1.00000E+00 volume  1.59693E+05 ppm1      3.709 ppm2      2.256
 ASSI {  164}
   (( segid "   A" and resid 20   and name  HB1 ))
   (( segid "   A" and resid 20   and name  HB2 ))

      3.091     1.371     0.773 peak   164 weight  1.00000E+00 volume  1.28702E+06 ppm1      1.905 ppm2      2.247
 ASSI {  159}
   (( segid "   A" and resid 20   and name  HB2 ))
   (( segid "   A" and resid 20   and name  HA  ))

      3.190     1.470     0.797 peak   159 weight  1.00000E+00 volume  5.81702E+05 ppm1      1.909 ppm2      4.405
 ASSI {  148}
   (( segid "   A" and resid 20   and name  HD2 ))
   (( segid "   A" and resid 20   and name  HG1 ))

      4.043     2.323     1.011 peak   148 weight  1.00000E+00 volume  2.80926E+05 ppm1      3.929 ppm2      2.120
 ASSI {  154}
   (( segid "   A" and resid 20   and name  HD1 ))
   (( segid "   A" and resid 20   and name  HG2 ))

      3.745     2.025     0.936 peak   154 weight  1.00000E+00 volume  2.57346E+05 ppm1      3.701 ppm2      2.006
 ASSI {  155}
   (( segid "   A" and resid 20   and name  HD1 ))
   (( segid "   A" and resid 20   and name  HB2 ))

      4.119     2.399     1.030 peak   155 weight  1.00000E+00 volume  1.52971E+05 ppm1      3.701 ppm2      1.924
 ASSI {  161}
   (( segid "   A" and resid 20   and name  HD1 ))
   (( segid "   A" and resid 20   and name  HA  ))

      4.313     2.593     1.078 peak   161 weight  1.00000E+00 volume  2.02919E+05 ppm1      4.408 ppm2      3.699
 ASSI {  147}
   (( segid "   A" and resid 20   and name  HD2 ))
   (( segid "   A" and resid 20   and name  HB1 ))

      4.288     2.568     1.072 peak   147 weight  1.00000E+00 volume  1.42169E+05 ppm1      3.931 ppm2      2.253
 ASSI {  168}
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 20   and name  HG1 ))

      3.845     2.125     0.961 peak   168 weight  1.00000E+00 volume  1.46847E+05 ppm1      2.120 ppm2      4.403
 ASSI {  170}
   (( segid "   A" and resid 20   and name  HB1 ))
   (( segid "   A" and resid 20   and name  HG1 ))

      3.353     1.633     0.838 peak   170 weight  1.00000E+00 volume  6.73549E+05 ppm1      2.123 ppm2      2.247
 ASSI {  153}
   (( segid "   A" and resid 20   and name  HD1 ))
   (( segid "   A" and resid 20   and name  HG1 ))

      3.850     2.130     0.962 peak   153 weight  1.00000E+00 volume  2.83123E+05 ppm1      3.709 ppm2      2.128
 ASSI {  150}
   (( segid "   A" and resid 20   and name  HD2 ))
   (( segid "   A" and resid 20   and name  HB2 ))

      4.640     2.920     1.160 peak   150 weight  1.00000E+00 volume  1.26876E+05 ppm1      3.931 ppm2      1.930
 ASSI {  162}
   (( segid "   A" and resid 20   and name  HB1 ))
   (( segid "   A" and resid 20   and name  HA  ))

      3.415     1.695     0.854 peak   162 weight  1.00000E+00 volume  6.78985E+05 ppm1      4.405 ppm2      2.243
 ASSI {  145}
   (( segid "   A" and resid 20   and name  HD1 ))
   (( segid "   A" and resid 20   and name  HD2 ))

      3.753     2.033     0.938 peak   145 weight  1.00000E+00 volume  2.96433E+05 ppm1      3.713 ppm2      3.929
 ASSI {  149}
   (( segid "   A" and resid 20   and name  HD2 ))
   (( segid "   A" and resid 20   and name  HG2 ))

      4.129     2.409     1.032 peak   149 weight  1.00000E+00 volume  2.35996E+05 ppm1      3.931 ppm2      1.999
 ASSI {  160}
   (( segid "   A" and resid 20   and name  HD2 ))
   (( segid "   A" and resid 20   and name  HA  ))

      4.541     2.821     1.135 peak   160 weight  1.00000E+00 volume  1.30853E+05 ppm1      4.408 ppm2      3.938
 ASSI {  338}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 19   and name  HA  ))

      4.282     2.562     1.070 peak   338 weight  1.00000E+00 volume  6.94090E+04 ppm1      8.767 ppm2      4.303
 ASSI {  347}
   (( segid "   A" and resid 21   and name  HN  ))
   (  segid "   A" and resid 19   and name  HD1#)

      4.960     3.240     1.240 peak   347 weight  1.00000E+00 volume  1.01906E+05 ppm1      8.767 ppm2      0.781
 ASSI {  141}
   (( segid "   A" and resid 21   and name  HD22))
   (( segid "   A" and resid 20   and name  HG2 ))

      4.716     2.996     1.179 peak   141 weight  1.00000E+00 volume  1.11600E+05 ppm1      2.013 ppm2      7.333
 ASSI {  178}
   (( segid "   A" and resid 21   and name  HD22))
   (( segid "   A" and resid 20   and name  HG1 ))

      5.352     3.632     1.338 peak   178 weight  1.00000E+00 volume  7.08623E+04 ppm1      2.121 ppm2      7.334
 ASSI {  345}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 20   and name  HG2 ))

      4.015     2.295     1.004 peak   345 weight  1.00000E+00 volume  1.01553E+05 ppm1      8.767 ppm2      2.005
 ASSI {  346}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 20   and name  HB2 ))

      4.347     2.627     1.087 peak   346 weight  1.00000E+00 volume  6.12948E+04 ppm1      8.765 ppm2      1.920
 ASSI {  337}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 20   and name  HA  ))

      4.251     2.531     1.063 peak   337 weight  1.00000E+00 volume  8.05983E+04 ppm1      8.764 ppm2      4.401
 ASSI {  340}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 20   and name  HD1 ))

      4.218     2.498     1.054 peak   340 weight  1.00000E+00 volume  7.85993E+04 ppm1      8.764 ppm2      3.709
 ASSI {  344}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 20   and name  HG1 ))

      4.185     2.465     1.046 peak   344 weight  1.00000E+00 volume  8.42677E+04 ppm1      8.764 ppm2      2.123
 ASSI {  343}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 20   and name  HB1 ))

      4.573     2.853     1.143 peak   343 weight  1.00000E+00 volume  4.94740E+04 ppm1      8.765 ppm2      2.250
 ASSI {  339}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 20   and name  HD2 ))

      4.075     2.355     1.019 peak   339 weight  1.00000E+00 volume  7.65490E+04 ppm1      8.768 ppm2      3.915
 ASSI {  789}
   (( segid "   A" and resid 21   and name  HD21))
   (( segid "   A" and resid 21   and name  HA  ))

      5.332     3.612     1.333 peak   789 weight  1.00000E+00 volume  6.05311E+04 ppm1      4.975 ppm2      6.968
 ASSI {  610}
   (( segid "   A" and resid 21   and name  HD22))
   (  segid "   A" and resid 21   and name  HB# )

      4.221     2.501     1.055 peak   610 weight  1.00000E+00 volume  6.38535E+04 ppm1      7.326 ppm2      2.851
 ASSI {  787}
   (( segid "   A" and resid 21   and name  HA  ))
   (  segid "   A" and resid 21   and name  HB# )

      5.075     3.355     1.269 peak   787 weight  1.00000E+00 volume  6.32932E+04 ppm1      2.876 ppm2      4.973
 ASSI {  336}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 21   and name  HA  ))

      3.706     1.986     0.927 peak   336 weight  1.00000E+00 volume  1.73320E+05 ppm1      8.766 ppm2      4.970
 ASSI {  786}
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 21   and name  HB1 ))

      3.916     2.196     0.979 peak   786 weight  1.00000E+00 volume  3.07666E+05 ppm1      4.975 ppm2      2.865
 ASSI {  619}
   (( segid "   A" and resid 21   and name  HD22))
   (( segid "   A" and resid 21   and name  HD21))

      3.483     1.763     0.871 peak   619 weight  1.00000E+00 volume  2.36797E+05 ppm1      6.958 ppm2      7.328
 ASSI {  331}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 21   and name  HD22))

      4.156     2.436     1.039 peak   331 weight  1.00000E+00 volume  7.24653E+04 ppm1      8.771 ppm2      7.337
 ASSI {  342}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 21   and name  HB2 ))

      3.902     2.182     0.975 peak   342 weight  1.00000E+00 volume  1.08967E+05 ppm1      8.767 ppm2      2.843
 ASSI {  611}
   (( segid "   A" and resid 21   and name  HD21))
   (  segid "   A" and resid 21   and name  HB# )

      3.554     1.834     0.888 peak   611 weight  1.00000E+00 volume  7.15770E+04 ppm1      6.958 ppm2      2.863
 ASSI {  341}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 21   and name  HB1 ))

      3.958     2.238     0.990 peak   341 weight  1.00000E+00 volume  1.03351E+05 ppm1      8.764 ppm2      2.872
 ASSI {  332}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 21   and name  HD21))

      4.428     2.708     1.107 peak   332 weight  1.00000E+00 volume  6.44444E+04 ppm1      8.767 ppm2      6.958
 ASSI {  323}
   (( segid "   A" and resid 21   and name  HD21))
   (( segid "   A" and resid 52   and name  HA  ))

      4.781     3.061     1.195 peak   323 weight  1.00000E+00 volume  9.93680E+04 ppm1      3.901 ppm2      6.956
 ASSI {  322}
   (( segid "   A" and resid 21   and name  HD22))
   (( segid "   A" and resid 52   and name  HA  ))

      4.590     2.870     1.148 peak   322 weight  1.00000E+00 volume  1.23274E+05 ppm1      3.901 ppm2      7.330
 ASSI {  333}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 52   and name  HD22))

      4.502     2.782     1.126 peak   333 weight  1.00000E+00 volume  5.32035E+04 ppm1      8.764 ppm2      6.617
 ASSI {  330}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 52   and name  HD21))

      4.806     3.086     1.202 peak   330 weight  1.00000E+00 volume  4.27066E+04 ppm1      8.760 ppm2      7.895
 ASSI {  679}
   (( segid "   A" and resid 21   and name  HN  ))
   (( segid "   A" and resid 55   and name  HE22))

      4.645     2.925     1.161 peak   679 weight  1.00000E+00 volume  4.12584E+04 ppm1      8.763 ppm2      8.479
 ASSI {   82}
   (( segid "   A" and resid 21   and name  HB2 ))
   (  segid "   A" and resid 56   and name  HB# )

      4.323     2.603     1.081 peak    82 weight  1.00000E+00 volume  5.42152E+05 ppm1      1.409 ppm2      2.840
 ASSI {  618}
   (( segid "   A" and resid 21   and name  HD21))
   (  segid "   A" and resid 56   and name  HB# )

      4.129     2.409     1.032 peak   618 weight  1.00000E+00 volume  1.23843E+05 ppm1      6.957 ppm2      1.409
 ASSI {   89}
   (( segid "   A" and resid 21   and name  HB2 ))
   (( segid "   A" and resid 56   and name  HA  ))

      4.421     2.701     1.105 peak    89 weight  1.00000E+00 volume  1.60570E+05 ppm1      4.298 ppm2      2.858
 ASSI {  613}
   (( segid "   A" and resid 21   and name  HD22))
   (( segid "   A" and resid 56   and name  HA  ))

      4.081     2.361     1.020 peak   613 weight  1.00000E+00 volume  8.22098E+04 ppm1      7.334 ppm2      4.294
 ASSI {  612}
   (( segid "   A" and resid 21   and name  HD21))
   (( segid "   A" and resid 56   and name  HA  ))

      4.189     2.469     1.047 peak   612 weight  1.00000E+00 volume  7.57756E+04 ppm1      6.958 ppm2      4.293
 ASSI {  617}
   (( segid "   A" and resid 21   and name  HD22))
   (  segid "   A" and resid 56   and name  HB# )

      4.060     2.340     1.015 peak   617 weight  1.00000E+00 volume  1.64361E+05 ppm1      7.331 ppm2      1.410
 ASSI {  134}
   (( segid "   A" and resid 21   and name  HD22))
   (( segid "   A" and resid 57   and name  HD2 ))

      4.565     2.845     1.141 peak   134 weight  1.00000E+00 volume  1.30137E+05 ppm1      3.746 ppm2      7.333
 ASSI {  138}
   (( segid "   A" and resid 21   and name  HD22))
   (( segid "   A" and resid 57   and name  HD1 ))

      4.545     2.825     1.136 peak   138 weight  1.00000E+00 volume  1.32411E+05 ppm1      3.591 ppm2      7.334
 ASSI {  140}
   (( segid "   A" and resid 21   and name  HD21))
   (( segid "   A" and resid 57   and name  HD1 ))

      4.861     3.141     1.215 peak   140 weight  1.00000E+00 volume  1.00473E+05 ppm1      3.593 ppm2      6.965
 ASSI {  615}
   (( segid "   A" and resid 21   and name  HD21))
   (( segid "   A" and resid 57   and name  HD2 ))

      4.860     3.140     1.215 peak   615 weight  1.00000E+00 volume  3.48581E+04 ppm1      6.961 ppm2      3.742
 ASSI {  816}
   (  segid "   A" and resid 22   and name  HD1#)
   (( segid "   A" and resid 19   and name  HB1 ))

      5.160     3.440     1.290 peak   816 weight  1.00000E+00 volume  2.70524E+05 ppm1      0.882 ppm2      1.295
 ASSI { 1018}
   (  segid "   A" and resid 22   and name  HD1#)
   (( segid "   A" and resid 19   and name  HB2 ))

      5.671     3.951     1.418 peak  1018 weight  1.00000E+00 volume  8.16811E+04 ppm1      1.773 ppm2      0.882
 ASSI {  806}
   (  segid "   A" and resid 22   and name  HD1#)
   (  segid "   A" and resid 19   and name  HD2#)

      4.629     2.909     1.157 peak   806 weight  1.00000E+00 volume  1.27539E+06 ppm1      0.882 ppm2      0.668
 ASSI {  822}
   (  segid "   A" and resid 22   and name  HD2#)
   (( segid "   A" and resid 19   and name  HB2 ))

      3.732     2.012     0.933 peak   822 weight  1.00000E+00 volume  1.32871E+06 ppm1      0.789 ppm2      1.764
 ASSI {  417}
   (  segid "   A" and resid 22   and name  HD1#)
   (( segid "   A" and resid 19   and name  HN  ))

      5.706     3.986     1.427 peak   417 weight  1.00000E+00 volume  5.60447E+04 ppm1      7.368 ppm2      0.883
 ASSI {  707}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 19   and name  HA  ))

      4.883     3.163     1.221 peak   707 weight  1.00000E+00 volume  3.36932E+04 ppm1      6.491 ppm2      4.303
 ASSI {  509}
   (( segid "   A" and resid 22   and name  HN  ))
   (  segid "   A" and resid 19   and name  HD2#)

      5.503     3.783     1.376 peak   509 weight  1.00000E+00 volume  5.47596E+04 ppm1      6.495 ppm2      0.665
 ASSI {  506}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 19   and name  HB1 ))

      4.950     3.230     1.237 peak   506 weight  1.00000E+00 volume  3.27956E+04 ppm1      6.493 ppm2      1.311
 ASSI {  498}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 20   and name  HD1 ))

      5.120     3.400     1.280 peak   498 weight  1.00000E+00 volume  3.37954E+04 ppm1      6.494 ppm2      3.709
 ASSI {  497}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 20   and name  HD2 ))

      4.805     3.085     1.201 peak   497 weight  1.00000E+00 volume  4.63205E+04 ppm1      6.495 ppm2      3.905
 ASSI {  495}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 20   and name  HA  ))

      4.603     2.883     1.151 peak   495 weight  1.00000E+00 volume  4.31627E+04 ppm1      6.489 ppm2      4.398
 ASSI {  494}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 21   and name  HA  ))

      3.644     1.924     0.911 peak   494 weight  1.00000E+00 volume  2.13172E+05 ppm1      6.495 ppm2      4.968
 ASSI {  502}
   (( segid "   A" and resid 22   and name  HN  ))
   (  segid "   A" and resid 21   and name  HB# )

      4.313     2.593     1.078 peak   502 weight  1.00000E+00 volume  6.24180E+04 ppm1      6.494 ppm2      2.860
 ASSI {  510}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 21   and name  HD22))

      4.220     2.500     1.055 peak   510 weight  1.00000E+00 volume  8.57609E+04 ppm1      6.495 ppm2      7.352
 ASSI {  334}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 21   and name  HN  ))

      3.298     1.578     0.825 peak   334 weight  1.00000E+00 volume  2.55545E+05 ppm1      8.766 ppm2      6.490
 ASSI {  797}
   (( segid "   A" and resid 22   and name  HB1 ))
   (( segid "   A" and resid 22   and name  HB2 ))

      3.944     2.224     0.986 peak   797 weight  1.00000E+00 volume  1.03950E+05 ppm1      1.598 ppm2      1.477
 ASSI {  803}
   (  segid "   A" and resid 22   and name  HD1#)
   (( segid "   A" and resid 22   and name  HG  ))

      3.841     2.121     0.960 peak   803 weight  1.00000E+00 volume  4.84118E+05 ppm1      1.687 ppm2      0.878
 ASSI {  504}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 22   and name  HB2 ))

      3.581     1.861     0.895 peak   504 weight  1.00000E+00 volume  2.11599E+05 ppm1      6.494 ppm2      1.601
 ASSI {  505}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 22   and name  HB1 ))

      3.620     1.900     0.905 peak   505 weight  1.00000E+00 volume  1.91853E+05 ppm1      6.495 ppm2      1.482
 ASSI {  802}
   (  segid "   A" and resid 22   and name  HD2#)
   (( segid "   A" and resid 22   and name  HA  ))

      4.956     3.236     1.239 peak   802 weight  1.00000E+00 volume  1.36268E+05 ppm1      4.490 ppm2      0.788
 ASSI {  799}
   (( segid "   A" and resid 22   and name  HB2 ))
   (( segid "   A" and resid 22   and name  HG  ))

      4.144     2.424     1.036 peak   799 weight  1.00000E+00 volume  1.72627E+05 ppm1      1.598 ppm2      1.687
 ASSI {  793}
   (  segid "   A" and resid 22   and name  HD1#)
   (( segid "   A" and resid 22   and name  HB2 ))

      4.109     2.389     1.027 peak   793 weight  1.00000E+00 volume  1.62244E+05 ppm1      1.590 ppm2      0.884
 ASSI {  805}
   (  segid "   A" and resid 22   and name  HD2#)
   (( segid "   A" and resid 22   and name  HG  ))

      3.984     2.264     0.996 peak   805 weight  1.00000E+00 volume  6.07815E+05 ppm1      1.681 ppm2      0.798
 ASSI {  824}
   (  segid "   A" and resid 22   and name  HD2#)
   (( segid "   A" and resid 22   and name  HB1 ))

      3.815     2.095     0.954 peak   824 weight  1.00000E+00 volume  1.24366E+06 ppm1      0.792 ppm2      1.481
 OR {  824}
   (  segid "   A" and resid 22   and name  HD2#)
   (( segid "   A" and resid 51   and name  HG  ))
 ASSI {  796}
   (  segid "   A" and resid 22   and name  HD2#)
   (( segid "   A" and resid 22   and name  HB1 ))

      4.957     3.237     1.239 peak   796 weight  1.00000E+00 volume  1.48175E+05 ppm1      1.479 ppm2      0.788
 ASSI {  823}
   (  segid "   A" and resid 22   and name  HD2#)
   (( segid "   A" and resid 22   and name  HG  ))

      3.524     1.804     0.881 peak   823 weight  1.00000E+00 volume  2.09994E+06 ppm1      0.791 ppm2      1.671
 OR {  823}
   (  segid "   A" and resid 22   and name  HD2#)
   (( segid "   A" and resid 26   and name  HB1 ))
 ASSI {  795}
   (  segid "   A" and resid 22   and name  HD2#)
   (( segid "   A" and resid 22   and name  HB2 ))

      5.154     3.434     1.288 peak   795 weight  1.00000E+00 volume  1.56167E+05 ppm1      1.595 ppm2      0.797
 ASSI {  808}
   (  segid "   A" and resid 22   and name  HD2#)
   (  segid "   A" and resid 22   and name  HD1#)

      3.784     2.064     0.946 peak   808 weight  1.00000E+00 volume  3.12282E+06 ppm1      0.884 ppm2      0.794
 ASSI {  809}
   (  segid "   A" and resid 22   and name  HD1#)
   (( segid "   A" and resid 22   and name  HA  ))

      6.150     4.430     1.537 peak   809 weight  1.00000E+00 volume  6.76041E+04 ppm1      0.878 ppm2      4.495
 ASSI {  798}
   (( segid "   A" and resid 22   and name  HB1 ))
   (( segid "   A" and resid 22   and name  HG  ))

      4.036     2.316     1.009 peak   798 weight  1.00000E+00 volume  1.89629E+05 ppm1      1.486 ppm2      1.680
 ASSI {  794}
   (  segid "   A" and resid 22   and name  HD1#)
   (( segid "   A" and resid 22   and name  HB1 ))

      4.549     2.829     1.137 peak   794 weight  1.00000E+00 volume  1.37214E+05 ppm1      1.478 ppm2      0.885
 ASSI {  507}
   (  segid "   A" and resid 22   and name  HD1#)
   (( segid "   A" and resid 22   and name  HN  ))

      4.544     2.824     1.136 peak   507 weight  1.00000E+00 volume  2.01520E+05 ppm1      6.494 ppm2      0.883
 ASSI {  499}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 22   and name  HA  ))

      4.022     2.302     1.005 peak   499 weight  1.00000E+00 volume  1.23544E+05 ppm1      6.495 ppm2      4.493
 ASSI {  503}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 22   and name  HG  ))

      3.444     1.724     0.861 peak   503 weight  1.00000E+00 volume  2.65316E+05 ppm1      6.494 ppm2      1.682
 ASSI {  508}
   (  segid "   A" and resid 22   and name  HD2#)
   (( segid "   A" and resid 22   and name  HN  ))

      4.276     2.556     1.069 peak   508 weight  1.00000E+00 volume  2.48809E+05 ppm1      6.494 ppm2      0.790
 ASSI {  470}
   (  segid "   A" and resid 22   and name  HD2#)
   (( segid "   A" and resid 27   and name  HN  ))

      5.580     3.860     1.395 peak   470 weight  1.00000E+00 volume  4.49057E+04 ppm1      8.320 ppm2      0.799
 ASSI {  469}
   (  segid "   A" and resid 22   and name  HD1#)
   (( segid "   A" and resid 27   and name  HN  ))

      6.244     4.524     1.561 peak   469 weight  1.00000E+00 volume  3.37583E+04 ppm1      8.323 ppm2      0.881
 ASSI {  837}
   (  segid "   A" and resid 22   and name  HD1#)
   (  segid "   A" and resid 30   and name  HD# )

      5.003     3.283     1.251 peak   837 weight  1.00000E+00 volume  5.59214E+05 ppm1      0.882 ppm2      7.235
 OR {  837}
   (  segid "   A" and resid 22   and name  HD1#)
   (  segid "   A" and resid 30   and name  HE# )
 ASSI {  838}
   (  segid "   A" and resid 22   and name  HD2#)
   (  segid "   A" and resid 30   and name  HE# )

      4.960     3.240     1.240 peak   838 weight  1.00000E+00 volume  5.81201E+05 ppm1      0.792 ppm2      7.244
 ASSI {  180}
   (  segid "   A" and resid 22   and name  HD2#)
   (( segid "   A" and resid 30   and name  HN  ))

      6.105     4.385     1.526 peak   180 weight  1.00000E+00 volume  3.41705E+04 ppm1      7.955 ppm2      0.809
 ASSI {   74}
   (  segid "   A" and resid 22   and name  HD2#)
   (( segid "   A" and resid 48   and name  HA  ))

      4.740     3.020     1.185 peak    74 weight  1.00000E+00 volume  2.34779E+05 ppm1      3.392 ppm2      0.795
 ASSI {   73}
   (  segid "   A" and resid 22   and name  HD1#)
   (( segid "   A" and resid 48   and name  HA  ))

      5.047     3.327     1.262 peak    73 weight  1.00000E+00 volume  2.02680E+05 ppm1      3.392 ppm2      0.893
 ASSI {  826}
   (  segid "   A" and resid 22   and name  HD2#)
   (  segid "   A" and resid 48   and name  HB# )

      5.196     3.476     1.299 peak   826 weight  1.00000E+00 volume  5.79952E+05 ppm1      0.791 ppm2      0.434
 ASSI {  807}
   (  segid "   A" and resid 22   and name  HD1#)
   (  segid "   A" and resid 48   and name  HB# )

      5.080     3.360     1.270 peak   807 weight  1.00000E+00 volume  7.67502E+05 ppm1      0.882 ppm2      0.434
 ASSI {  403}
   (  segid "   A" and resid 22   and name  HD2#)
   (( segid "   A" and resid 51   and name  HB1 ))

      4.569     2.849     1.142 peak   403 weight  1.00000E+00 volume  3.36883E+05 ppm1      1.640 ppm2      0.810
 ASSI {  397}
   (  segid "   A" and resid 22   and name  HD2#)
   (( segid "   A" and resid 51   and name  HG  ))

      4.164     2.444     1.041 peak   397 weight  1.00000E+00 volume  6.54391E+05 ppm1      1.480 ppm2      0.801
 ASSI {  404}
   (  segid "   A" and resid 22   and name  HD2#)
   (( segid "   A" and resid 51   and name  HB2 ))

      4.319     2.599     1.080 peak   404 weight  1.00000E+00 volume  3.19942E+05 ppm1      1.802 ppm2      0.797
 OR {  404}
   (  segid "   A" and resid 22   and name  HD2#)
   (( segid "   A" and resid 44   and name  HB2 ))
 ASSI {  408}
   (( segid "   A" and resid 22   and name  HB1 ))
   (( segid "   A" and resid 51   and name  HB1 ))

      3.384     1.664     0.846 peak   408 weight  1.00000E+00 volume  5.98609E+05 ppm1      1.642 ppm2      1.484
 ASSI {  836}
   (  segid "   A" and resid 22   and name  HD1#)
   (( segid "   A" and resid 51   and name  HN  ))

      5.983     4.263     1.496 peak   836 weight  1.00000E+00 volume  1.12307E+05 ppm1      0.882 ppm2      7.967
 ASSI {  395}
   (  segid "   A" and resid 22   and name  HD2#)
   (  segid "   A" and resid 51   and name  HD1#)

      4.121     2.401     1.030 peak   395 weight  1.00000E+00 volume  2.29723E+06 ppm1      0.983 ppm2      0.800
 ASSI {  128}
   (  segid "   A" and resid 22   and name  HD2#)
   (( segid "   A" and resid 51   and name  HN  ))

      5.179     3.459     1.295 peak   128 weight  1.00000E+00 volume  7.40035E+04 ppm1      7.986 ppm2      0.795
 ASSI {  306}
   (  segid "   A" and resid 22   and name  HD2#)
   (( segid "   A" and resid 52   and name  HA  ))

      4.027     2.307     1.007 peak   306 weight  1.00000E+00 volume  5.56034E+05 ppm1      3.901 ppm2      0.792
 ASSI {  810}
   (  segid "   A" and resid 22   and name  HD1#)
   (( segid "   A" and resid 52   and name  HA  ))

      5.160     3.440     1.290 peak   810 weight  1.00000E+00 volume  2.24889E+05 ppm1      0.882 ppm2      3.909
 ASSI {  118}
   (  segid "   A" and resid 22   and name  HD2#)
   (( segid "   A" and resid 52   and name  HN  ))

      4.606     2.886     1.152 peak   118 weight  1.00000E+00 volume  1.40093E+05 ppm1      8.489 ppm2      0.789
 ASSI {  117}
   (  segid "   A" and resid 22   and name  HD1#)
   (( segid "   A" and resid 52   and name  HN  ))

      5.458     3.738     1.365 peak   117 weight  1.00000E+00 volume  5.88380E+04 ppm1      8.488 ppm2      0.881
 ASSI {  108}
   (  segid "   A" and resid 22   and name  HD1#)
   (( segid "   A" and resid 53   and name  HN  ))

      6.401     4.681     1.599 peak   108 weight  1.00000E+00 volume  6.12705E+04 ppm1      8.066 ppm2      0.859
 ASSI {  109}
   (  segid "   A" and resid 22   and name  HD2#)
   (( segid "   A" and resid 53   and name  HN  ))

      5.523     3.803     1.381 peak   109 weight  1.00000E+00 volume  5.54547E+04 ppm1      8.071 ppm2      0.785
 OR {  109}
   (  segid "   A" and resid 19   and name  HD1#)
   (( segid "   A" and resid 53   and name  HN  ))
 ASSI {  834}
   (  segid "   A" and resid 22   and name  HD1#)
   (( segid "   A" and resid 55   and name  HE22))

      5.120     3.400     1.280 peak   834 weight  1.00000E+00 volume  2.46565E+05 ppm1      0.882 ppm2      8.490
 ASSI {  839}
   (  segid "   A" and resid 22   and name  HD2#)
   (( segid "   A" and resid 55   and name  HE22))

      4.120     2.400     1.030 peak   839 weight  1.00000E+00 volume  8.71000E+05 ppm1      0.791 ppm2      8.490
 OR {  839}
   (  segid "   A" and resid 22   and name  HD2#)
   (( segid "   A" and resid 52   and name  HN  ))
 ASSI {  666}
   (  segid "   A" and resid 22   and name  HD2#)
   (( segid "   A" and resid 55   and name  HE21))

      5.252     3.532     1.313 peak   666 weight  1.00000E+00 volume  7.22556E+04 ppm1      7.360 ppm2      0.794
 ASSI {  663}
   (  segid "   A" and resid 22   and name  HD2#)
   (( segid "   A" and resid 55   and name  HN  ))

      5.353     3.633     1.338 peak   663 weight  1.00000E+00 volume  3.77462E+04 ppm1      7.531 ppm2      0.793
 ASSI {  513}
   (( segid "   A" and resid 22   and name  HN  ))
   (( segid "   A" and resid 55   and name  HE22))

      4.627     2.907     1.157 peak   513 weight  1.00000E+00 volume  5.52908E+04 ppm1      6.497 ppm2      8.485
 ASSI {  161}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 22   and name  HB1 ))

      4.474     2.754     1.119 peak   161 weight  1.00000E+00 volume  4.76207E+04 ppm1      8.680 ppm2      1.488
 ASSI {  167}
   (( segid "   A" and resid 23   and name  HN  ))
   (  segid "   A" and resid 22   and name  HD1#)

      5.531     3.811     1.383 peak   167 weight  1.00000E+00 volume  5.97406E+04 ppm1      8.678 ppm2      0.880
 ASSI {  162}
   (( segid "   A" and resid 23   and name  HN  ))
   (  segid "   A" and resid 22   and name  HD2#)

      4.677     2.957     1.169 peak   162 weight  1.00000E+00 volume  1.30673E+05 ppm1      8.677 ppm2      0.793
 ASSI {  156}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 22   and name  HA  ))

      3.606     1.886     0.901 peak   156 weight  1.00000E+00 volume  1.85263E+05 ppm1      8.677 ppm2      4.493
 ASSI {  164}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 22   and name  HG  ))

      3.848     2.128     0.962 peak   164 weight  1.00000E+00 volume  1.20113E+05 ppm1      8.679 ppm2      1.680
 ASSI {  153}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 22   and name  HN  ))

      4.084     2.364     1.021 peak   153 weight  1.00000E+00 volume  4.84383E+04 ppm1      8.676 ppm2      6.489
 ASSI {  165}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 22   and name  HB2 ))

      3.951     2.231     0.988 peak   165 weight  1.00000E+00 volume  1.03152E+05 ppm1      8.679 ppm2      1.603
 ASSI {  625}
   (( segid "   A" and resid 23   and name  HD21))
   (( segid "   A" and resid 23   and name  HB1 ))

      4.407     2.687     1.102 peak   625 weight  1.00000E+00 volume  4.55731E+04 ppm1      7.583 ppm2      3.305
 ASSI {  841}
   (( segid "   A" and resid 23   and name  HB1 ))
   (( segid "   A" and resid 23   and name  HB2 ))

      3.658     1.938     0.914 peak   841 weight  1.00000E+00 volume  4.47387E+05 ppm1      3.303 ppm2      2.822
 ASSI {  157}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 23   and name  HB1 ))

      4.521     2.801     1.130 peak   157 weight  1.00000E+00 volume  5.71850E+04 ppm1      8.678 ppm2      3.301
 ASSI {  623}
   (( segid "   A" and resid 23   and name  HD22))
   (( segid "   A" and resid 23   and name  HB1 ))

      4.557     2.837     1.139 peak   623 weight  1.00000E+00 volume  4.97463E+04 ppm1      7.085 ppm2      3.307
 ASSI {  621}
   (( segid "   A" and resid 23   and name  HD22))
   (( segid "   A" and resid 23   and name  HD21))

      3.304     1.584     0.826 peak   621 weight  1.00000E+00 volume  2.92075E+05 ppm1      7.079 ppm2      7.577
 ASSI {  624}
   (( segid "   A" and resid 23   and name  HD22))
   (( segid "   A" and resid 23   and name  HB2 ))

      4.187     2.467     1.047 peak   624 weight  1.00000E+00 volume  6.92199E+04 ppm1      7.075 ppm2      2.817
 ASSI {  626}
   (( segid "   A" and resid 23   and name  HD21))
   (( segid "   A" and resid 23   and name  HB2 ))

      3.690     1.970     0.922 peak   626 weight  1.00000E+00 volume  1.16712E+05 ppm1      7.578 ppm2      2.810
 ASSI {  158}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 23   and name  HB2 ))

      4.120     2.400     1.030 peak   158 weight  1.00000E+00 volume  8.39674E+04 ppm1      8.676 ppm2      2.817
 ASSI {  151}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 23   and name  HD21))

      4.507     2.787     1.127 peak   151 weight  1.00000E+00 volume  5.46658E+04 ppm1      8.676 ppm2      7.592
 ASSI {  152}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 23   and name  HD22))

      4.680     2.960     1.170 peak   152 weight  1.00000E+00 volume  4.07551E+04 ppm1      8.677 ppm2      7.079
 ASSI {  155}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 23   and name  HA  ))

      4.153     2.433     1.038 peak   155 weight  1.00000E+00 volume  8.76123E+04 ppm1      8.676 ppm2      4.814
 ASSI {  148}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 25   and name  HN  ))

      4.643     2.923     1.161 peak   148 weight  1.00000E+00 volume  3.56433E+04 ppm1      8.680 ppm2      8.315
 ASSI {  901}
   (( segid "   A" and resid 23   and name  HD22))
   (( segid "   A" and resid 26   and name  HG1 ))

      5.448     3.728     1.362 peak   901 weight  1.00000E+00 volume  4.74162E+04 ppm1      2.729 ppm2      7.074
 ASSI {  423}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 26   and name  HN  ))

      4.288     2.568     1.072 peak   423 weight  1.00000E+00 volume  7.38285E+04 ppm1      8.528 ppm2      8.674
 ASSI {  163}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 55   and name  HB2 ))

      4.224     2.504     1.056 peak   163 weight  1.00000E+00 volume  6.98904E+04 ppm1      8.678 ppm2      2.453
 ASSI {  150}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 55   and name  HE22))

      4.057     2.337     1.014 peak   150 weight  1.00000E+00 volume  8.87074E+04 ppm1      8.672 ppm2      8.484
 ASSI {  149}
   (( segid "   A" and resid 23   and name  HN  ))
   (( segid "   A" and resid 55   and name  HE21))

      4.317     2.597     1.079 peak   149 weight  1.00000E+00 volume  7.01411E+04 ppm1      8.680 ppm2      7.351
 ASSI {  845}
   (( segid "   A" and resid 24   and name  HB2 ))
   (( segid "   A" and resid 24   and name  HA  ))

      4.182     2.462     1.045 peak   845 weight  1.00000E+00 volume  1.97831E+05 ppm1      4.343 ppm2      2.868
 ASSI {  846}
   (( segid "   A" and resid 24   and name  HB1 ))
   (( segid "   A" and resid 24   and name  HA  ))

      4.017     2.297     1.004 peak   846 weight  1.00000E+00 volume  2.55841E+05 ppm1      4.342 ppm2      2.739
 ASSI {  629}
   (( segid "   A" and resid 24   and name  HB2 ))
   (( segid "   A" and resid 24   and name  HD21))

      3.868     2.148     0.967 peak   629 weight  1.00000E+00 volume  4.48312E+04 ppm1      6.951 ppm2      2.864
 ASSI {  630}
   (( segid "   A" and resid 24   and name  HD22))
   (( segid "   A" and resid 24   and name  HD21))

      2.805     1.085     0.701 peak   630 weight  1.00000E+00 volume  2.50548E+05 ppm1      6.951 ppm2      7.678
 ASSI {  628}
   (( segid "   A" and resid 24   and name  HB2 ))
   (( segid "   A" and resid 24   and name  HD22))

      4.297     2.577     1.074 peak   628 weight  1.00000E+00 volume  3.73407E+04 ppm1      7.677 ppm2      2.874
 ASSI {  627}
   (( segid "   A" and resid 24   and name  HB1 ))
   (( segid "   A" and resid 24   and name  HD22))

      4.416     2.696     1.104 peak   627 weight  1.00000E+00 volume  3.02271E+04 ppm1      7.680 ppm2      2.742
 ASSI {  868}
   (( segid "   A" and resid 24   and name  HB1 ))
   (  segid "   A" and resid 25   and name  HG# )

      4.225     2.505     1.056 peak   868 weight  1.00000E+00 volume  2.62090E+05 ppm1      2.392 ppm2      2.736
 ASSI {  869}
   (( segid "   A" and resid 24   and name  HB2 ))
   (  segid "   A" and resid 25   and name  HG# )

      4.193     2.473     1.048 peak   869 weight  1.00000E+00 volume  2.06679E+05 ppm1      2.389 ppm2      2.863
 ASSI {  844}
   (( segid "   A" and resid 24   and name  HA  ))
   (  segid "   A" and resid 27   and name  HB# )

      4.091     2.371     1.023 peak   844 weight  1.00000E+00 volume  2.53217E+05 ppm1      4.343 ppm2      1.625
 ASSI { 1409}
   (( segid "   A" and resid 24   and name  HD21))
   (  segid "   A" and resid 27   and name  HE# )

      4.881     3.161     1.220 peak  1409 weight  1.00000E+00 volume  9.18653E+04 ppm1      2.944 ppm2      6.968
 ASSI { 1270}
   (( segid "   A" and resid 24   and name  HA  ))
   (  segid "   A" and resid 27   and name  HE# )

      4.527     2.807     1.132 peak  1270 weight  1.00000E+00 volume  1.99561E+05 ppm1      2.949 ppm2      4.332
 ASSI {  440}
   (( segid "   A" and resid 25   and name  HN  ))
   (( segid "   A" and resid 24   and name  HB1 ))

      3.660     1.940     0.915 peak   440 weight  1.00000E+00 volume  1.68495E+05 ppm1      8.292 ppm2      2.743
 ASSI {  439}
   (( segid "   A" and resid 25   and name  HN  ))
   (( segid "   A" and resid 24   and name  HB2 ))

      3.889     2.169     0.972 peak   439 weight  1.00000E+00 volume  1.14289E+05 ppm1      8.291 ppm2      2.861
 ASSI {  471}
   (( segid "   A" and resid 25   and name  HN  ))
   (( segid "   A" and resid 24   and name  HA  ))

      4.384     2.664     1.096 peak   471 weight  1.00000E+00 volume  5.71918E+04 ppm1      8.293 ppm2      4.341
 ASSI {  853}
   (  segid "   A" and resid 25   and name  HB# )
   (( segid "   A" and resid 25   and name  HA  ))

      3.060     1.340     0.765 peak   853 weight  1.00000E+00 volume  1.21459E+06 ppm1      2.117 ppm2      3.976
 ASSI {  856}
   (  segid "   A" and resid 25   and name  HB# )
   (  segid "   A" and resid 25   and name  HG# )

      2.683     0.963     0.671 peak   856 weight  1.00000E+00 volume  2.09965E+06 ppm1      2.116 ppm2      2.393
 ASSI {  441}
   (( segid "   A" and resid 25   and name  HN  ))
   (  segid "   A" and resid 25   and name  HG# )

      3.476     1.756     0.869 peak   441 weight  1.00000E+00 volume  2.85855E+05 ppm1      8.290 ppm2      2.393
 ASSI {  852}
   (( segid "   A" and resid 25   and name  HA  ))
   (  segid "   A" and resid 25   and name  HG# )

      3.241     1.521     0.810 peak   852 weight  1.00000E+00 volume  1.25136E+06 ppm1      2.393 ppm2      3.979
 ASSI {  633}
   (( segid "   A" and resid 25   and name  HE21))
   (  segid "   A" and resid 25   and name  HG# )

      4.229     2.509     1.057 peak   633 weight  1.00000E+00 volume  1.01563E+05 ppm1      6.815 ppm2      2.392
 ASSI {  438}
   (( segid "   A" and resid 25   and name  HN  ))
   (( segid "   A" and resid 25   and name  HA  ))

      3.472     1.752     0.868 peak   438 weight  1.00000E+00 volume  2.48352E+05 ppm1      8.291 ppm2      3.976
 ASSI {  443}
   (  segid "   A" and resid 25   and name  HB# )
   (( segid "   A" and resid 25   and name  HN  ))

      2.996     1.276     0.749 peak   443 weight  1.00000E+00 volume  6.19971E+05 ppm1      8.290 ppm2      2.117
 ASSI {  632}
   (( segid "   A" and resid 25   and name  HE22))
   (  segid "   A" and resid 25   and name  HG# )

      3.923     2.203     0.981 peak   632 weight  1.00000E+00 volume  1.60150E+05 ppm1      7.442 ppm2      2.394
 ASSI {  428}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 23   and name  HD22))

      4.909     3.189     1.227 peak   428 weight  1.00000E+00 volume  3.67817E+04 ppm1      8.525 ppm2      7.079
 ASSI {  432}
   (( segid "   A" and resid 26   and name  HN  ))
   (  segid "   A" and resid 25   and name  HG# )

      3.951     2.231     0.988 peak   432 weight  1.00000E+00 volume  9.99799E+04 ppm1      8.529 ppm2      2.397
 ASSI {  864}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 25   and name  HA  ))

      4.258     2.538     1.064 peak   864 weight  1.00000E+00 volume  1.27762E+05 ppm1      3.976 ppm2      8.527
 ASSI {  434}
   (( segid "   A" and resid 26   and name  HN  ))
   (  segid "   A" and resid 25   and name  HB# )

      3.659     1.939     0.915 peak   434 weight  1.00000E+00 volume  1.86900E+05 ppm1      8.529 ppm2      2.119
 ASSI {  425}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 25   and name  HN  ))

      3.567     1.847     0.892 peak   425 weight  1.00000E+00 volume  2.06374E+05 ppm1      8.528 ppm2      8.292
 ASSI {  903}
   (( segid "   A" and resid 26   and name  HE21))
   (( segid "   A" and resid 26   and name  HG2 ))

      4.725     3.005     1.181 peak   903 weight  1.00000E+00 volume  6.57131E+04 ppm1      2.289 ppm2      8.168
 ASSI {  872}
   (( segid "   A" and resid 26   and name  HG1 ))
   (( segid "   A" and resid 26   and name  HB1 ))

      4.292     2.572     1.073 peak   872 weight  1.00000E+00 volume  1.53885E+05 ppm1      2.743 ppm2      1.681
 ASSI {  877}
   (( segid "   A" and resid 26   and name  HG2 ))
   (( segid "   A" and resid 26   and name  HB2 ))

      4.115     2.395     1.029 peak   877 weight  1.00000E+00 volume  1.66182E+05 ppm1      2.455 ppm2      2.289
 ASSI {  873}
   (( segid "   A" and resid 26   and name  HG1 ))
   (( segid "   A" and resid 26   and name  HB2 ))

      4.313     2.593     1.078 peak   873 weight  1.00000E+00 volume  1.35086E+05 ppm1      2.740 ppm2      2.435
 ASSI {  874}
   (( segid "   A" and resid 26   and name  HG2 ))
   (( segid "   A" and resid 26   and name  HB1 ))

      4.183     2.463     1.046 peak   874 weight  1.00000E+00 volume  1.88616E+05 ppm1      2.296 ppm2      1.667
 ASSI {  876}
   (( segid "   A" and resid 26   and name  HB1 ))
   (( segid "   A" and resid 26   and name  HB2 ))

      4.004     2.284     1.001 peak   876 weight  1.00000E+00 volume  2.63858E+05 ppm1      1.678 ppm2      2.440
 ASSI {  883}
   (( segid "   A" and resid 26   and name  HA  ))
   (( segid "   A" and resid 26   and name  HB2 ))

      3.302     1.582     0.825 peak   883 weight  1.00000E+00 volume  6.43687E+05 ppm1      3.960 ppm2      2.440
 ASSI {  435}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 26   and name  HB1 ))

      3.896     2.176     0.974 peak   435 weight  1.00000E+00 volume  1.20789E+05 ppm1      8.527 ppm2      1.674
 ASSI {  899}
   (( segid "   A" and resid 26   and name  HA  ))
   (( segid "   A" and resid 26   and name  HE22))

      4.682     2.962     1.171 peak   899 weight  1.00000E+00 volume  9.56485E+04 ppm1      3.963 ppm2      7.618
 ASSI {  870}
   (( segid "   A" and resid 26   and name  HA  ))
   (( segid "   A" and resid 26   and name  HG1 ))

      3.763     2.043     0.941 peak   870 weight  1.00000E+00 volume  1.88849E+05 ppm1      2.740 ppm2      3.957
 ASSI {  902}
   (( segid "   A" and resid 26   and name  HE21))
   (( segid "   A" and resid 26   and name  HG1 ))

      4.818     3.098     1.204 peak   902 weight  1.00000E+00 volume  8.53124E+04 ppm1      2.737 ppm2      8.163
 ASSI {  875}
   (( segid "   A" and resid 26   and name  HA  ))
   (( segid "   A" and resid 26   and name  HG2 ))

      3.365     1.645     0.841 peak   875 weight  1.00000E+00 volume  2.10098E+05 ppm1      2.299 ppm2      3.969
 ASSI {  871}
   (( segid "   A" and resid 26   and name  HG1 ))
   (( segid "   A" and resid 26   and name  HG2 ))

      3.841     2.121     0.960 peak   871 weight  1.00000E+00 volume  2.77703E+05 ppm1      2.747 ppm2      2.296
 ASSI {  429}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 26   and name  HA  ))

      3.643     1.923     0.911 peak   429 weight  1.00000E+00 volume  1.85669E+05 ppm1      8.527 ppm2      3.964
 ASSI {  885}
   (( segid "   A" and resid 26   and name  HA  ))
   (( segid "   A" and resid 26   and name  HB1 ))

      3.228     1.508     0.807 peak   885 weight  1.00000E+00 volume  8.11708E+05 ppm1      3.960 ppm2      1.673
 ASSI {  636}
   (( segid "   A" and resid 26   and name  HE22))
   (( segid "   A" and resid 26   and name  HG2 ))

      4.370     2.650     1.092 peak   636 weight  1.00000E+00 volume  4.59467E+04 ppm1      7.634 ppm2      2.294
 ASSI {  637}
   (( segid "   A" and resid 26   and name  HE22))
   (( segid "   A" and resid 26   and name  HG1 ))

      4.353     2.633     1.088 peak   637 weight  1.00000E+00 volume  3.53754E+04 ppm1      7.634 ppm2      2.736
 ASSI {  638}
   (( segid "   A" and resid 26   and name  HE22))
   (( segid "   A" and resid 26   and name  HE21))

      3.905     2.185     0.976 peak   638 weight  1.00000E+00 volume  1.11175E+05 ppm1      7.630 ppm2      8.171
 ASSI {  430}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 26   and name  HG1 ))

      3.826     2.106     0.957 peak   430 weight  1.00000E+00 volume  1.32073E+05 ppm1      8.529 ppm2      2.739
 ASSI {  431}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 26   and name  HB2 ))

      4.039     2.319     1.010 peak   431 weight  1.00000E+00 volume  8.14822E+04 ppm1      8.527 ppm2      2.447
 ASSI {  426}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 26   and name  HE21))

      4.554     2.834     1.139 peak   426 weight  1.00000E+00 volume  4.19898E+04 ppm1      8.526 ppm2      8.213
 ASSI {  433}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 26   and name  HG2 ))

      3.961     2.241     0.990 peak   433 weight  1.00000E+00 volume  1.11824E+05 ppm1      8.528 ppm2      2.295
 ASSI {  427}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 26   and name  HE22))

      4.384     2.664     1.096 peak   427 weight  1.00000E+00 volume  5.59792E+04 ppm1      8.524 ppm2      7.631
 ASSI {  456}
   (( segid "   A" and resid 26   and name  HN  ))
   (( segid "   A" and resid 27   and name  HN  ))

      4.096     2.376     1.024 peak   456 weight  1.00000E+00 volume  9.17604E+04 ppm1      8.324 ppm2      8.525
 ASSI {  463}
   (( segid "   A" and resid 26   and name  HG1 ))
   (( segid "   A" and resid 27   and name  HN  ))

      4.897     3.177     1.224 peak   463 weight  1.00000E+00 volume  3.10255E+04 ppm1      8.329 ppm2      2.742
 ASSI {  460}
   (( segid "   A" and resid 26   and name  HA  ))
   (( segid "   A" and resid 27   and name  HN  ))

      4.301     2.581     1.075 peak   460 weight  1.00000E+00 volume  6.44683E+04 ppm1      8.323 ppm2      3.964
 ASSI {  916}
   (( segid "   A" and resid 26   and name  HB1 ))
   (  segid "   A" and resid 29   and name  HB# )

      4.665     2.945     1.166 peak   916 weight  1.00000E+00 volume  3.81280E+05 ppm1      1.298 ppm2      1.685
 ASSI {  886}
   (( segid "   A" and resid 26   and name  HA  ))
   (  segid "   A" and resid 29   and name  HB# )

      4.152     2.432     1.038 peak   886 weight  1.00000E+00 volume  7.77004E+05 ppm1      3.963 ppm2      1.298
 ASSI {  900}
   (( segid "   A" and resid 26   and name  HA  ))
   (  segid "   A" and resid 30   and name  HD# )

      5.197     3.477     1.299 peak   900 weight  1.00000E+00 volume  9.42824E+04 ppm1      3.963 ppm2      7.240
 ASSI {  170}
   (( segid "   A" and resid 26   and name  HA  ))
   (( segid "   A" and resid 30   and name  HN  ))

      4.628     2.908     1.157 peak   170 weight  1.00000E+00 volume  4.81702E+04 ppm1      7.956 ppm2      3.948
 ASSI {  423}
   (( segid "   A" and resid 26   and name  HE22))
   (  segid "   A" and resid 51   and name  HD# )

      4.774     3.054     1.193 peak   423 weight  1.00000E+00 volume  4.03193E+05 ppm1      0.983 ppm2      7.630
 ASSI {  391}
   (( segid "   A" and resid 26   and name  HG2 ))
   (  segid "   A" and resid 51   and name  HD1#)

      4.934     3.214     1.233 peak   391 weight  1.00000E+00 volume  3.51274E+05 ppm1      0.984 ppm2      2.282
 ASSI {  375}
   (( segid "   A" and resid 26   and name  HB2 ))
   (  segid "   A" and resid 51   and name  HD# )

      5.073     3.353     1.268 peak   375 weight  1.00000E+00 volume  2.56093E+05 ppm1      0.943 ppm2      2.447
 ASSI {  421}
   (( segid "   A" and resid 26   and name  HE21))
   (  segid "   A" and resid 51   and name  HD# )

      4.952     3.232     1.238 peak   421 weight  1.00000E+00 volume  3.42677E+05 ppm1      0.984 ppm2      8.168
 ASSI {  387}
   (( segid "   A" and resid 26   and name  HA  ))
   (  segid "   A" and resid 51   and name  HD1#)

      5.523     3.803     1.381 peak   387 weight  1.00000E+00 volume  1.97048E+05 ppm1      0.983 ppm2      3.957
 ASSI {  389}
   (( segid "   A" and resid 26   and name  HG1 ))
   (  segid "   A" and resid 51   and name  HD1#)

      5.916     4.196     1.479 peak   389 weight  1.00000E+00 volume  1.35499E+05 ppm1      0.984 ppm2      2.740
 ASSI {  390}
   (( segid "   A" and resid 26   and name  HB2 ))
   (  segid "   A" and resid 51   and name  HD1#)

      5.068     3.348     1.267 peak   390 weight  1.00000E+00 volume  2.85154E+05 ppm1      0.984 ppm2      2.439
 ASSI {  376}
   (( segid "   A" and resid 26   and name  HG2 ))
   (  segid "   A" and resid 51   and name  HD# )

      4.658     2.938     1.165 peak   376 weight  1.00000E+00 volume  4.07114E+05 ppm1      0.944 ppm2      2.279
 ASSI {  641}
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 24   and name  HA  ))

      4.681     2.961     1.170 peak   641 weight  1.00000E+00 volume  4.07675E+04 ppm1      8.325 ppm2      4.336
 ASSI {  464}
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 26   and name  HB2 ))

      4.765     3.045     1.191 peak   464 weight  1.00000E+00 volume  3.34298E+04 ppm1      8.328 ppm2      2.446
 ASSI {  467}
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 26   and name  HB1 ))

      3.588     1.868     0.897 peak   467 weight  1.00000E+00 volume  1.58121E+05 ppm1      8.325 ppm2      1.672
 ASSI {  906}
   (( segid "   A" and resid 27   and name  HA  ))
   (  segid "   A" and resid 27   and name  HB# )

      3.672     1.952     0.918 peak   906 weight  1.00000E+00 volume  3.66150E+05 ppm1      3.777 ppm2      1.638
 ASSI { 1402}
   (  segid "   A" and resid 27   and name  HB# )
   (  segid "   A" and resid 27   and name  HG# )

      3.227     1.507     0.807 peak  1402 weight  1.00000E+00 volume  1.05165E+06 ppm1      1.325 ppm2      1.645
 ASSI { 1396}
   (( segid "   A" and resid 27   and name  HA  ))
   (  segid "   A" and resid 27   and name  HG# )

      4.576     2.856     1.144 peak  1396 weight  1.00000E+00 volume  1.28748E+05 ppm1      1.325 ppm2      3.784
 ASSI { 1410}
   (( segid "   A" and resid 27   and name  HN  ))
   (  segid "   A" and resid 27   and name  HB# )

      4.165     2.445     1.041 peak  1410 weight  1.00000E+00 volume  1.48564E+05 ppm1      1.640 ppm2      8.336
 ASSI { 1397}
   (  segid "   A" and resid 27   and name  HG# )
   (  segid "   A" and resid 27   and name  HE# )

      3.708     1.988     0.927 peak  1397 weight  1.00000E+00 volume  4.84631E+05 ppm1      1.324 ppm2      2.948
 ASSI { 1403}
   (  segid "   A" and resid 27   and name  HB# )
   (  segid "   A" and resid 27   and name  HE# )

      2.855     1.135     0.714 peak  1403 weight  1.00000E+00 volume  1.78771E+06 ppm1      1.637 ppm2      2.948
 ASSI { 1404}
   (  segid "   A" and resid 27   and name  HD# )
   (  segid "   A" and resid 27   and name  HE# )

      4.423     2.703     1.106 peak  1404 weight  1.00000E+00 volume  1.68592E+05 ppm1      1.832 ppm2      2.947
 ASSI {  461}
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 27   and name  HA  ))

      4.124     2.404     1.031 peak   461 weight  1.00000E+00 volume  6.55414E+04 ppm1      8.330 ppm2      3.766
 ASSI {  214}
   (( segid "   A" and resid 27   and name  HN  ))
   (( segid "   A" and resid 28   and name  HN  ))

      4.183     2.463     1.046 peak   214 weight  1.00000E+00 volume  5.87431E+04 ppm1      8.205 ppm2      8.310
 ASSI {  912}
   (( segid "   A" and resid 28   and name  HB2 ))
   (( segid "   A" and resid 25   and name  HA  ))

      4.105     2.385     1.026 peak   912 weight  1.00000E+00 volume  1.10495E+05 ppm1      1.832 ppm2      3.981
 ASSI {  642}
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 25   and name  HA  ))

      4.801     3.081     1.200 peak   642 weight  1.00000E+00 volume  2.57228E+04 ppm1      8.214 ppm2      3.966
 ASSI { 1405}
   (( segid "   A" and resid 28   and name  HN  ))
   (  segid "   A" and resid 27   and name  HD# )

      3.899     2.179     0.975 peak  1405 weight  1.00000E+00 volume  2.08372E+05 ppm1      1.832 ppm2      8.195
 ASSI {  218}
   (( segid "   A" and resid 28   and name  HB2 ))
   (( segid "   A" and resid 28   and name  HN  ))

      4.449     2.729     1.112 peak   218 weight  1.00000E+00 volume  4.89218E+04 ppm1      8.217 ppm2      1.836
 ASSI {  217}
   (( segid "   A" and resid 28   and name  HN  ))
   (( segid "   A" and resid 28   and name  HA  ))

      4.589     2.869     1.147 peak   217 weight  1.00000E+00 volume  4.32438E+04 ppm1      8.222 ppm2      3.725
 ASSI {  219}
   (( segid "   A" and resid 28   and name  HB1 ))
   (( segid "   A" and resid 28   and name  HN  ))

      4.453     2.733     1.113 peak   219 weight  1.00000E+00 volume  4.95877E+04 ppm1      8.224 ppm2      1.743
 ASSI {  959}
   (( segid "   A" and resid 28   and name  HN  ))
   (  segid "   A" and resid 31   and name  HD1#)

      5.764     4.044     1.441 peak   959 weight  1.00000E+00 volume  9.97678E+04 ppm1      0.524 ppm2      8.190
 ASSI {  859}
   (  segid "   A" and resid 29   and name  HB# )
   (  segid "   A" and resid 25   and name  HG# )

      5.572     3.852     1.393 peak   859 weight  1.00000E+00 volume  1.93885E+05 ppm1      2.394 ppm2      1.299
 ASSI {  898}
   (( segid "   A" and resid 29   and name  HN  ))
   (( segid "   A" and resid 26   and name  HA  ))

      3.898     2.178     0.975 peak   898 weight  1.00000E+00 volume  2.44873E+05 ppm1      3.960 ppm2      7.779
 ASSI {  210}
   (( segid "   A" and resid 29   and name  HN  ))
   (( segid "   A" and resid 26   and name  HA  ))

      3.398     1.678     0.849 peak   210 weight  1.00000E+00 volume  2.59411E+05 ppm1      7.784 ppm2      4.023
 OR {  210}
   (( segid "   A" and resid 29   and name  HN  ))
   (( segid "   A" and resid 29   and name  HA  ))
 ASSI {  211}
   (( segid "   A" and resid 29   and name  HN  ))
   (( segid "   A" and resid 26   and name  HA  ))

      3.678     1.958     0.919 peak   211 weight  1.00000E+00 volume  1.48186E+05 ppm1      7.784 ppm2      3.976
 OR {  211}
   (( segid "   A" and resid 29   and name  HN  ))
   (( segid "   A" and resid 25   and name  HA  ))
 ASSI {  145}
   (( segid "   A" and resid 29   and name  HN  ))
   (( segid "   A" and resid 28   and name  HB2 ))

      3.774     2.054     0.944 peak   145 weight  1.00000E+00 volume  1.20408E+05 ppm1      7.784 ppm2      1.824
 ASSI {  207}
   (( segid "   A" and resid 29   and name  HN  ))
   (( segid "   A" and resid 28   and name  HN  ))

      3.859     2.139     0.965 peak   207 weight  1.00000E+00 volume  1.27540E+05 ppm1      7.784 ppm2      8.203
 ASSI {  212}
   (( segid "   A" and resid 29   and name  HN  ))
   (( segid "   A" and resid 28   and name  HA  ))

      4.428     2.708     1.107 peak   212 weight  1.00000E+00 volume  4.45086E+04 ppm1      7.782 ppm2      3.741
 ASSI {  146}
   (( segid "   A" and resid 29   and name  HN  ))
   (( segid "   A" and resid 28   and name  HB1 ))

      3.777     2.057     0.944 peak   146 weight  1.00000E+00 volume  1.25526E+05 ppm1      7.784 ppm2      1.749
 ASSI {  717}
   (  segid "   A" and resid 29   and name  HB# )
   (( segid "   A" and resid 29   and name  HA  ))

      3.293     1.573     0.823 peak   717 weight  1.00000E+00 volume  2.53106E+06 ppm1      4.029 ppm2      1.302
 ASSI {  926}
   (( segid "   A" and resid 29   and name  HN  ))
   (( segid "   A" and resid 29   and name  HA  ))

      3.464     1.744     0.866 peak   926 weight  1.00000E+00 volume  6.06247E+05 ppm1      4.026 ppm2      7.784
 ASSI {  143}
   (( segid "   A" and resid 29   and name  HN  ))
   (  segid "   A" and resid 29   and name  HB# )

      3.498     1.778     0.874 peak   143 weight  1.00000E+00 volume  7.86873E+05 ppm1      7.784 ppm2      1.297
 ASSI {  920}
   (  segid "   A" and resid 29   and name  HB# )
   (( segid "   A" and resid 30   and name  HA  ))

      5.200     3.480     1.300 peak   920 weight  1.00000E+00 volume  1.93958E+05 ppm1      1.300 ppm2      4.249
 ASSI {  183}
   (( segid "   A" and resid 29   and name  HN  ))
   (( segid "   A" and resid 30   and name  HN  ))

      3.605     1.885     0.901 peak   183 weight  1.00000E+00 volume  1.57844E+05 ppm1      7.955 ppm2      7.781
 ASSI {  189}
   (( segid "   A" and resid 29   and name  HN  ))
   (( segid "   A" and resid 31   and name  HN  ))

      4.126     2.406     1.032 peak   189 weight  1.00000E+00 volume  5.59761E+04 ppm1      8.318 ppm2      7.788
 ASSI { 1124}
   (( segid "   A" and resid 30   and name  HN  ))
   (  segid "   A" and resid 16   and name  HD1#)

      4.625     2.905     1.156 peak  1124 weight  1.00000E+00 volume  3.71085E+05 ppm1      0.472 ppm2      7.983
 OR { 1124}
   (  segid "   A" and resid 16   and name  HD1#)
   (( segid "   A" and resid 17   and name  HN  ))
 ASSI {    1}
   (( segid "   A" and resid 30   and name  HB2 ))
   (  segid "   A" and resid 16   and name  HG2#)

      5.203     3.483     1.301 peak     1 weight  1.00000E+00 volume  1.78001E+05 ppm1      0.743 ppm2      3.013
 ASSI { 1149}
   (  segid "   A" and resid 30   and name  HD# )
   (  segid "   A" and resid 16   and name  HG2#)

      6.125     4.405     1.531 peak  1149 weight  1.00000E+00 volume  1.36020E+05 ppm1      0.739 ppm2      7.213
 ASSI { 1125}
   (  segid "   A" and resid 30   and name  HD# )
   (  segid "   A" and resid 16   and name  HD1#)

      5.530     3.810     1.382 peak  1125 weight  1.00000E+00 volume  2.41862E+05 ppm1      0.470 ppm2      7.229
 ASSI {    2}
   (( segid "   A" and resid 30   and name  HB1 ))
   (  segid "   A" and resid 16   and name  HG2#)

      4.969     3.249     1.242 peak     2 weight  1.00000E+00 volume  1.43452E+05 ppm1      0.741 ppm2      2.919
 ASSI {  182}
   (( segid "   A" and resid 30   and name  HN  ))
   (  segid "   A" and resid 16   and name  HD1#)

      5.592     3.872     1.398 peak   182 weight  1.00000E+00 volume  4.64165E+04 ppm1      7.947 ppm2      0.466
 ASSI {  181}
   (( segid "   A" and resid 30   and name  HN  ))
   (  segid "   A" and resid 16   and name  HG2#)

      5.298     3.578     1.325 peak   181 weight  1.00000E+00 volume  5.74875E+04 ppm1      7.952 ppm2      0.741
 ASSI {  905}
   (( segid "   A" and resid 30   and name  HB2 ))
   (( segid "   A" and resid 27   and name  HA  ))

      4.784     3.064     1.196 peak   905 weight  1.00000E+00 volume  7.73664E+04 ppm1      3.773 ppm2      3.019
 ASSI { 1144}
   (( segid "   A" and resid 30   and name  HB1 ))
   (( segid "   A" and resid 27   and name  HA  ))

      4.958     3.238     1.240 peak  1144 weight  1.00000E+00 volume  5.79792E+04 ppm1      2.906 ppm2      3.783
 ASSI {  910}
   (  segid "   A" and resid 30   and name  HD# )
   (( segid "   A" and resid 27   and name  HA  ))

      4.853     3.133     1.213 peak   910 weight  1.00000E+00 volume  1.70835E+05 ppm1      3.776 ppm2      7.222
 ASSI {  172}
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 27   and name  HA  ))

      4.838     3.118     1.210 peak   172 weight  1.00000E+00 volume  4.14972E+04 ppm1      7.956 ppm2      3.771
 ASSI {  918}
   (( segid "   A" and resid 30   and name  HB2 ))
   (  segid "   A" and resid 29   and name  HB# )

      5.303     3.583     1.326 peak   918 weight  1.00000E+00 volume  1.17089E+05 ppm1      1.299 ppm2      3.119
 ASSI {  179}
   (( segid "   A" and resid 30   and name  HN  ))
   (  segid "   A" and resid 29   and name  HB# )

      4.022     2.302     1.005 peak   179 weight  1.00000E+00 volume  2.64146E+05 ppm1      7.954 ppm2      1.297
 ASSI {  169}
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 29   and name  HA  ))

      4.025     2.305     1.006 peak   169 weight  1.00000E+00 volume  6.46122E+04 ppm1      7.950 ppm2      4.026
 ASSI {  168}
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 30   and name  HA  ))

      3.767     2.047     0.942 peak   168 weight  1.00000E+00 volume  1.02936E+05 ppm1      7.950 ppm2      4.250
 ASSI {  950}
   (  segid "   A" and resid 30   and name  HD# )
   (( segid "   A" and resid 30   and name  HB1 ))

      4.837     3.117     1.209 peak   950 weight  1.00000E+00 volume  1.68162E+05 ppm1      2.917 ppm2      7.228
 ASSI {  174}
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 30   and name  HB1 ))

      4.093     2.373     1.023 peak   174 weight  1.00000E+00 volume  8.11334E+04 ppm1      7.951 ppm2      2.917
 ASSI {  934}
   (( segid "   A" and resid 30   and name  HB1 ))
   (( segid "   A" and resid 30   and name  HA  ))

      3.827     2.107     0.957 peak   934 weight  1.00000E+00 volume  1.33350E+05 ppm1      2.913 ppm2      4.248
 ASSI {  933}
   (( segid "   A" and resid 30   and name  HB2 ))
   (( segid "   A" and resid 30   and name  HA  ))

      3.831     2.111     0.958 peak   933 weight  1.00000E+00 volume  8.76511E+04 ppm1      3.027 ppm2      4.258
 ASSI {  942}
   (  segid "   A" and resid 30   and name  HD# )
   (( segid "   A" and resid 30   and name  HA  ))

      3.945     2.225     0.986 peak   942 weight  1.00000E+00 volume  5.99756E+05 ppm1      4.253 ppm2      7.223
 ASSI {  173}
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 30   and name  HB2 ))

      4.026     2.306     1.006 peak   173 weight  1.00000E+00 volume  1.01162E+05 ppm1      7.950 ppm2      3.025
 ASSI {  951}
   (  segid "   A" and resid 30   and name  HD# )
   (( segid "   A" and resid 30   and name  HB2 ))

      4.809     3.089     1.202 peak   951 weight  1.00000E+00 volume  1.44855E+05 ppm1      3.025 ppm2      7.235
 ASSI {  972}
   (( segid "   A" and resid 30   and name  HB2 ))
   (  segid "   A" and resid 31   and name  HD1#)

      5.281     3.561     1.320 peak   972 weight  1.00000E+00 volume  1.43378E+05 ppm1      0.517 ppm2      3.016
 ASSI {  147}
   (( segid "   A" and resid 30   and name  HN  ))
   (( segid "   A" and resid 31   and name  HN  ))

      3.917     2.197     0.979 peak   147 weight  1.00000E+00 volume  1.30129E+05 ppm1      7.957 ppm2      8.314
 ASSI { 1245}
   (  segid "   A" and resid 30   and name  HD# )
   (  segid "   A" and resid 34   and name  HD# )

      6.443     4.723     1.557 peak  1245 weight  1.00000E+00 volume  9.62515E+04 ppm1      0.819 ppm2      7.220
 ASSI {  673}
   (  segid "   A" and resid 30   and name  HD# )
   (( segid "   A" and resid 44   and name  HB1 ))

      5.293     3.573     1.323 peak   673 weight  1.00000E+00 volume  1.03602E+05 ppm1      1.252 ppm2      7.227
 ASSI {  675}
   (  segid "   A" and resid 30   and name  HD# )
   (  segid "   A" and resid 44   and name  HD2#)

      4.357     2.637     1.089 peak   675 weight  1.00000E+00 volume  1.35371E+06 ppm1      1.041 ppm2      7.229
 OR {  675}
   (  segid "   A" and resid 44   and name  HD2#)
   (  segid "   A" and resid 30   and name  HE# )
 ASSI {    5}
   (  segid "   A" and resid 30   and name  HD# )
   (  segid "   A" and resid 48   and name  HB# )

      5.268     3.548     1.317 peak     5 weight  1.00000E+00 volume  3.56709E+05 ppm1      0.426 ppm2      7.235
 ASSI {  966}
   (  segid "   A" and resid 31   and name  HD1#)
   (  segid "   A" and resid 13   and name  HE# )

      6.331     4.611     1.583 peak   966 weight  1.00000E+00 volume  1.09125E+05 ppm1      0.520 ppm2      6.843
 ASSI {  967}
   (  segid "   A" and resid 31   and name  HD1#)
   (  segid "   A" and resid 13   and name  HD# )

      6.250     4.530     1.562 peak   967 weight  1.00000E+00 volume  1.07423E+05 ppm1      0.523 ppm2      6.684
 ASSI { 1514}
   (  segid "   A" and resid 31   and name  HD1#)
   (( segid "   A" and resid 14   and name  HA  ))

      6.306     4.586     1.576 peak  1514 weight  1.00000E+00 volume  6.24632E+04 ppm1      0.516 ppm2      4.250
 ASSI {  971}
   (  segid "   A" and resid 31   and name  HD1#)
   (( segid "   A" and resid 14   and name  HB1 ))

      6.015     4.295     1.504 peak   971 weight  1.00000E+00 volume  7.95154E+04 ppm1      0.526 ppm2      3.167
 ASSI {  204}
   (( segid "   A" and resid 31   and name  HN  ))
   (  segid "   A" and resid 16   and name  HG2#)

      5.048     3.328     1.262 peak   204 weight  1.00000E+00 volume  7.65643E+04 ppm1      8.320 ppm2      0.749
 ASSI { 1108}
   (( segid "   A" and resid 31   and name  HG11))
   (  segid "   A" and resid 17   and name  HB# )

      5.277     3.557     1.319 peak  1108 weight  1.00000E+00 volume  1.59638E+05 ppm1      1.155 ppm2      1.618
 ASSI {  974}
   (  segid "   A" and resid 31   and name  HD1#)
   (  segid "   A" and resid 17   and name  HB# )

      5.573     3.853     1.393 peak   974 weight  1.00000E+00 volume  3.71136E+05 ppm1      0.522 ppm2      1.153
 ASSI { 1112}
   (( segid "   A" and resid 31   and name  HG11))
   (( segid "   A" and resid 17   and name  HA  ))

      4.161     2.441     1.040 peak  1112 weight  1.00000E+00 volume  2.23009E+05 ppm1      3.657 ppm2      1.608
 ASSI {  968}
   (  segid "   A" and resid 31   and name  HD1#)
   (( segid "   A" and resid 28   and name  HA  ))

      4.539     2.819     1.135 peak   968 weight  1.00000E+00 volume  3.17103E+05 ppm1      0.520 ppm2      3.740
 ASSI {  922}
   (( segid "   A" and resid 31   and name  HN  ))
   (  segid "   A" and resid 29   and name  HB# )

      4.993     3.273     1.248 peak   922 weight  1.00000E+00 volume  2.73765E+05 ppm1      1.296 ppm2      8.315
 ASSI {  194}
   (( segid "   A" and resid 31   and name  HN  ))
   (( segid "   A" and resid 30   and name  HB2 ))

      4.446     2.726     1.111 peak   194 weight  1.00000E+00 volume  5.60876E+04 ppm1      8.321 ppm2      3.024
 ASSI {  195}
   (( segid "   A" and resid 31   and name  HN  ))
   (( segid "   A" and resid 30   and name  HB1 ))

      5.081     3.361     1.270 peak   195 weight  1.00000E+00 volume  3.07723E+04 ppm1      8.320 ppm2      2.915
 ASSI {  190}
   (( segid "   A" and resid 31   and name  HN  ))
   (( segid "   A" and resid 30   and name  HA  ))

      4.530     2.810     1.132 peak   190 weight  1.00000E+00 volume  3.75789E+04 ppm1      8.314 ppm2      4.252
 ASSI {  977}
   (( segid "   A" and resid 31   and name  HG12))
   (( segid "   A" and resid 31   and name  HB  ))

      4.837     3.117     1.209 peak   977 weight  1.00000E+00 volume  7.03955E+04 ppm1      0.927 ppm2      1.684
 ASSI {  979}
   (( segid "   A" and resid 31   and name  HG11))
   (  segid "   A" and resid 31   and name  HD1#)

      5.090     3.370     1.272 peak   979 weight  1.00000E+00 volume  1.95624E+05 ppm1      1.600 ppm2      0.528
 ASSI {  975}
   (( segid "   A" and resid 31   and name  HG12))
   (  segid "   A" and resid 31   and name  HD1#)

      4.121     2.401     1.030 peak   975 weight  1.00000E+00 volume  7.10971E+05 ppm1      0.521 ppm2      0.925
 ASSI {  956}
   (( segid "   A" and resid 31   and name  HA  ))
   (( segid "   A" and resid 31   and name  HB  ))

      3.814     2.094     0.954 peak   956 weight  1.00000E+00 volume  2.90113E+05 ppm1      3.544 ppm2      1.689
 ASSI {  976}
   (( segid "   A" and resid 31   and name  HG12))
   (( segid "   A" and resid 31   and name  HA  ))

      4.933     3.213     1.233 peak   976 weight  1.00000E+00 volume  8.18464E+04 ppm1      0.923 ppm2      3.552
 ASSI {  973}
   (  segid "   A" and resid 31   and name  HD1#)
   (( segid "   A" and resid 31   and name  HB  ))

      3.881     2.161     0.970 peak   973 weight  1.00000E+00 volume  9.11042E+05 ppm1      0.521 ppm2      1.683
 ASSI {  955}
   (( segid "   A" and resid 31   and name  HA  ))
   (  segid "   A" and resid 31   and name  HD1#)

      4.703     2.983     1.176 peak   955 weight  1.00000E+00 volume  2.12781E+05 ppm1      3.542 ppm2      0.522
 ASSI {  978}
   (( segid "   A" and resid 31   and name  HG11))
   (( segid "   A" and resid 31   and name  HG12))

      4.526     2.806     1.132 peak   978 weight  1.00000E+00 volume  1.08095E+05 ppm1      0.931 ppm2      1.608
 ASSI {  205}
   (( segid "   A" and resid 31   and name  HN  ))
   (  segid "   A" and resid 31   and name  HD1#)

      4.557     2.837     1.139 peak   205 weight  1.00000E+00 volume  1.17309E+05 ppm1      8.321 ppm2      0.518
 ASSI {  202}
   (( segid "   A" and resid 31   and name  HN  ))
   (( segid "   A" and resid 31   and name  HG12))

      4.886     3.166     1.221 peak   202 weight  1.00000E+00 volume  3.83476E+04 ppm1      8.320 ppm2      0.928
 ASSI {  193}
   (( segid "   A" and resid 31   and name  HN  ))
   (( segid "   A" and resid 31   and name  HA  ))

      4.257     2.537     1.064 peak   193 weight  1.00000E+00 volume  8.20479E+04 ppm1      8.321 ppm2      3.543
 ASSI {  197}
   (( segid "   A" and resid 31   and name  HN  ))
   (( segid "   A" and resid 31   and name  HB  ))

      3.662     1.942     0.915 peak   197 weight  1.00000E+00 volume  1.46125E+05 ppm1      8.321 ppm2      1.673
 ASSI {  198}
   (( segid "   A" and resid 31   and name  HN  ))
   (( segid "   A" and resid 31   and name  HG11))

      3.839     2.119     0.960 peak   198 weight  1.00000E+00 volume  1.07584E+05 ppm1      8.325 ppm2      1.604
 ASSI {  943}
   (( segid "   A" and resid 33   and name  HN  ))
   (( segid "   A" and resid 30   and name  HA  ))

      4.144     2.424     1.036 peak   943 weight  1.00000E+00 volume  1.96246E+05 ppm1      4.254 ppm2      7.810
 ASSI {  952}
   (( segid "   A" and resid 33   and name  HB1 ))
   (( segid "   A" and resid 30   and name  HA  ))

      4.173     2.453     1.043 peak   952 weight  1.00000E+00 volume  1.37306E+05 ppm1      4.247 ppm2      4.029
 ASSI {  953}
   (( segid "   A" and resid 33   and name  HB2 ))
   (( segid "   A" and resid 30   and name  HA  ))

      4.098     2.378     1.025 peak   953 weight  1.00000E+00 volume  1.95356E+05 ppm1      4.250 ppm2      3.939
 ASSI {  984}
   (( segid "   A" and resid 33   and name  HB1 ))
   (( segid "   A" and resid 33   and name  HB2 ))

      3.460     1.740     0.865 peak   984 weight  1.00000E+00 volume  4.85661E+05 ppm1      4.055 ppm2      3.936
 ASSI {  982}
   (( segid "   A" and resid 33   and name  HA  ))
   (( segid "   A" and resid 33   and name  HB2 ))

      3.725     2.005     0.931 peak   982 weight  1.00000E+00 volume  3.87561E+05 ppm1      3.933 ppm2      4.222
 ASSI {  361}
   (( segid "   A" and resid 33   and name  HN  ))
   (( segid "   A" and resid 33   and name  HB1 ))

      4.346     2.626     1.086 peak   361 weight  1.00000E+00 volume  5.36313E+04 ppm1      7.809 ppm2      4.043
 ASSI {  983}
   (( segid "   A" and resid 33   and name  HA  ))
   (( segid "   A" and resid 33   and name  HB1 ))

      3.840     2.120     0.960 peak   983 weight  1.00000E+00 volume  2.76173E+05 ppm1      4.057 ppm2      4.227
 ASSI {  360}
   (( segid "   A" and resid 33   and name  HA  ))
   (( segid "   A" and resid 33   and name  HN  ))

      4.316     2.596     1.079 peak   360 weight  1.00000E+00 volume  5.81101E+04 ppm1      7.808 ppm2      4.208
 ASSI {  362}
   (( segid "   A" and resid 33   and name  HN  ))
   (( segid "   A" and resid 33   and name  HB2 ))

      4.143     2.423     1.036 peak   362 weight  1.00000E+00 volume  4.87556E+04 ppm1      7.808 ppm2      3.937
 ASSI {  349}
   (( segid "   A" and resid 33   and name  HA  ))
   (( segid "   A" and resid 34   and name  HN  ))

      4.409     2.689     1.102 peak   349 weight  1.00000E+00 volume  5.31561E+04 ppm1      8.086 ppm2      4.223
 ASSI { 1081}
   (( segid "   A" and resid 33   and name  HA  ))
   (( segid "   A" and resid 36   and name  HB1 ))

      3.770     2.050     0.942 peak  1081 weight  1.00000E+00 volume  2.36629E+05 ppm1      2.748 ppm2      4.208
 ASSI { 1086}
   (( segid "   A" and resid 33   and name  HB1 ))
   (( segid "   A" and resid 36   and name  HB2 ))

      4.540     2.820     1.135 peak  1086 weight  1.00000E+00 volume  1.05290E+05 ppm1      2.638 ppm2      4.071
 ASSI { 1090}
   (( segid "   A" and resid 33   and name  HN  ))
   (( segid "   A" and resid 36   and name  HB2 ))

      5.162     3.442     1.291 peak  1090 weight  1.00000E+00 volume  5.81302E+04 ppm1      2.641 ppm2      7.818
 ASSI { 1087}
   (( segid "   A" and resid 33   and name  HB1 ))
   (( segid "   A" and resid 36   and name  HB1 ))

      4.363     2.643     1.091 peak  1087 weight  1.00000E+00 volume  9.75076E+04 ppm1      2.750 ppm2      4.074
 ASSI { 1091}
   (( segid "   A" and resid 33   and name  HN  ))
   (( segid "   A" and resid 36   and name  HB1 ))

      5.051     3.331     1.263 peak  1091 weight  1.00000E+00 volume  6.51185E+04 ppm1      2.757 ppm2      7.823
 ASSI { 1080}
   (( segid "   A" and resid 33   and name  HA  ))
   (( segid "   A" and resid 36   and name  HB2 ))

      3.832     2.112     0.958 peak  1080 weight  1.00000E+00 volume  2.36820E+05 ppm1      2.642 ppm2      4.210
 ASSI { 1246}
   (  segid "   A" and resid 34   and name  HD# )
   (  segid "   A" and resid 5    and name  HE# )

      6.216     4.496     1.554 peak  1246 weight  1.00000E+00 volume  1.05863E+05 ppm1      0.815 ppm2      6.659
 ASSI { 1161}
   (  segid "   A" and resid 34   and name  HD# )
   (  segid "   A" and resid 9    and name  HE# )

      4.114     2.394     1.028 peak  1161 weight  1.00000E+00 volume  9.84968E+05 ppm1      1.673 ppm2      0.815
 ASSI { 1233}
   (  segid "   A" and resid 34   and name  HD# )
   (( segid "   A" and resid 9    and name  HA  ))

      4.740     3.020     1.185 peak  1233 weight  1.00000E+00 volume  2.29193E+05 ppm1      0.812 ppm2      4.155
 ASSI {  498}
   (  segid "   A" and resid 34   and name  HD# )
   (( segid "   A" and resid 9    and name  HB1 ))

      4.661     2.941     1.165 peak   498 weight  1.00000E+00 volume  3.40543E+05 ppm1      1.907 ppm2      0.800
 ASSI { 1506}
   (  segid "   A" and resid 34   and name  HD# )
   (  segid "   A" and resid 12   and name  HB# )

      4.300     2.580     1.075 peak  1506 weight  1.00000E+00 volume  1.33435E+06 ppm1      0.809 ppm2      1.416
 ASSI {  327}
   (  segid "   A" and resid 34   and name  HD# )
   (  segid "   A" and resid 12   and name  HB# )

      3.939     2.219     0.985 peak   327 weight  1.00000E+00 volume  3.19093E+06 ppm1      1.412 ppm2      0.818
 OR {  327}
   (  segid "   A" and resid 45   and name  HD1#)
   (  segid "   A" and resid 12   and name  HB# )
 OR {  327}
   (  segid "   A" and resid 45   and name  HD2#)
   (  segid "   A" and resid 12   and name  HB# )
 ASSI { 1235}
   (  segid "   A" and resid 34   and name  HD# )
   (( segid "   A" and resid 30   and name  HB2 ))

      5.164     3.444     1.291 peak  1235 weight  1.00000E+00 volume  1.41774E+05 ppm1      0.815 ppm2      3.029
 ASSI { 1252}
   (( segid "   A" and resid 34   and name  HB2 ))
   (( segid "   A" and resid 31   and name  HA  ))

      4.340     2.620     1.085 peak  1252 weight  1.00000E+00 volume  1.13891E+05 ppm1      3.543 ppm2      1.783
 ASSI { 1250}
   (( segid "   A" and resid 34   and name  HB1 ))
   (( segid "   A" and resid 31   and name  HA  ))

      5.363     3.643     1.341 peak  1250 weight  1.00000E+00 volume  4.47921E+04 ppm1      1.710 ppm2      3.548
 ASSI {  999}
   (  segid "   A" and resid 34   and name  HD# )
   (( segid "   A" and resid 31   and name  HA  ))

      4.672     2.952     1.168 peak   999 weight  1.00000E+00 volume  3.42216E+05 ppm1      0.811 ppm2      3.551
 ASSI {  188}
   (( segid "   A" and resid 34   and name  HN  ))
   (( segid "   A" and resid 31   and name  HN  ))

      4.117     2.397     1.029 peak   188 weight  1.00000E+00 volume  7.32810E+04 ppm1      8.320 ppm2      8.101
 ASSI {  704}
   (( segid "   A" and resid 34   and name  HN  ))
   (( segid "   A" and resid 31   and name  HA  ))

      4.568     2.848     1.142 peak   704 weight  1.00000E+00 volume  2.62110E+04 ppm1      8.083 ppm2      3.549
 ASSI {  203}
   (  segid "   A" and resid 34   and name  HD# )
   (( segid "   A" and resid 31   and name  HN  ))

      4.652     2.932     1.163 peak   203 weight  1.00000E+00 volume  1.28901E+05 ppm1      8.329 ppm2      0.819
 ASSI {  350}
   (( segid "   A" and resid 34   and name  HN  ))
   (( segid "   A" and resid 33   and name  HB1 ))

      4.250     2.530     1.063 peak   350 weight  1.00000E+00 volume  6.72520E+04 ppm1      8.084 ppm2      4.045
 ASSI {  351}
   (( segid "   A" and resid 34   and name  HN  ))
   (( segid "   A" and resid 33   and name  HB2 ))

      4.411     2.691     1.103 peak   351 weight  1.00000E+00 volume  5.27481E+04 ppm1      8.084 ppm2      3.934
 ASSI {  348}
   (( segid "   A" and resid 34   and name  HN  ))
   (( segid "   A" and resid 33   and name  HN  ))

      3.825     2.105     0.956 peak   348 weight  1.00000E+00 volume  1.28039E+05 ppm1      8.086 ppm2      7.814
 ASSI {  997}
   (( segid "   A" and resid 34   and name  HB2 ))
   (( segid "   A" and resid 34   and name  HA  ))

      3.967     2.247     0.992 peak   997 weight  1.00000E+00 volume  2.58071E+05 ppm1      3.696 ppm2      1.800
 ASSI {  996}
   (( segid "   A" and resid 34   and name  HB1 ))
   (( segid "   A" and resid 34   and name  HA  ))

      3.584     1.864     0.896 peak   996 weight  1.00000E+00 volume  6.14806E+05 ppm1      3.698 ppm2      1.679
 ASSI {  620}
   (  segid "   A" and resid 34   and name  HD# )
   (( segid "   A" and resid 34   and name  HA  ))

      3.605     1.885     0.901 peak   620 weight  1.00000E+00 volume  1.15989E+06 ppm1      3.694 ppm2      0.804
 ASSI {  356}
   (( segid "   A" and resid 34   and name  HN  ))
   (  segid "   A" and resid 34   and name  HD# )

      4.688     2.968     1.172 peak   356 weight  1.00000E+00 volume  1.25585E+05 ppm1      8.085 ppm2      0.811
 ASSI {  354}
   (( segid "   A" and resid 34   and name  HN  ))
   (( segid "   A" and resid 34   and name  HB1 ))

      3.697     1.977     0.924 peak   354 weight  1.00000E+00 volume  1.70889E+05 ppm1      8.086 ppm2      1.671
 ASSI {  353}
   (( segid "   A" and resid 34   and name  HN  ))
   (( segid "   A" and resid 34   and name  HB2 ))

      4.266     2.546     1.066 peak   353 weight  1.00000E+00 volume  6.32327E+04 ppm1      8.086 ppm2      1.800
 ASSI {  352}
   (( segid "   A" and resid 34   and name  HN  ))
   (( segid "   A" and resid 34   and name  HA  ))

      4.032     2.312     1.008 peak   352 weight  1.00000E+00 volume  1.03357E+05 ppm1      8.084 ppm2      3.692
 ASSI {  740}
   (  segid "   A" and resid 34   and name  HD# )
   (  segid "   A" and resid 41   and name  HB# )

      3.632     1.912     0.908 peak   740 weight  1.00000E+00 volume  9.37447E+05 ppm1      3.760 ppm2      0.808
 ASSI {  741}
   (( segid "   A" and resid 34   and name  HB1 ))
   (  segid "   A" and resid 41   and name  HB# )

      4.628     2.908     1.157 peak   741 weight  1.00000E+00 volume  1.16440E+05 ppm1      3.758 ppm2      1.686
 ASSI {  357}
   (( segid "   A" and resid 34   and name  HN  ))
   (  segid "   A" and resid 44   and name  HD1#)

      4.786     3.066     1.197 peak   357 weight  1.00000E+00 volume  1.13265E+05 ppm1      8.084 ppm2      0.755
 ASSI {  666}
   (( segid "   A" and resid 34   and name  HB1 ))
   (  segid "   A" and resid 44   and name  HD1#)

      4.275     2.555     1.069 peak   666 weight  1.00000E+00 volume  6.98263E+05 ppm1      0.752 ppm2      1.683
 ASSI {  355}
   (( segid "   A" and resid 34   and name  HN  ))
   (  segid "   A" and resid 44   and name  HD2#)

      4.897     3.177     1.224 peak   355 weight  1.00000E+00 volume  3.25799E+04 ppm1      8.086 ppm2      1.040
 ASSI { 1088}
   (( segid "   A" and resid 36   and name  HB1 ))
   (( segid "   A" and resid 32   and name  HA  ))

      5.354     3.634     1.339 peak  1088 weight  1.00000E+00 volume  5.64707E+04 ppm1      2.748 ppm2      3.948
 ASSI { 1089}
   (( segid "   A" and resid 36   and name  HB2 ))
   (( segid "   A" and resid 32   and name  HA  ))

      5.388     3.668     1.347 peak  1089 weight  1.00000E+00 volume  5.67976E+04 ppm1      2.641 ppm2      3.942
 ASSI { 1083}
   (( segid "   A" and resid 36   and name  HB1 ))
   (( segid "   A" and resid 36   and name  HA  ))

      3.355     1.635     0.839 peak  1083 weight  1.00000E+00 volume  3.11356E+05 ppm1      2.749 ppm2      4.414
 ASSI { 1082}
   (( segid "   A" and resid 36   and name  HB2 ))
   (( segid "   A" and resid 36   and name  HA  ))

      3.532     1.812     0.883 peak  1082 weight  1.00000E+00 volume  3.45477E+05 ppm1      2.645 ppm2      4.414
 ASSI { 1078}
   (( segid "   A" and resid 36   and name  HB1 ))
   (( segid "   A" and resid 36   and name  HN  ))

      3.686     1.966     0.921 peak  1078 weight  1.00000E+00 volume  3.03756E+05 ppm1      2.750 ppm2      8.073
 ASSI { 1079}
   (( segid "   A" and resid 36   and name  HB2 ))
   (( segid "   A" and resid 36   and name  HN  ))

      3.875     2.155     0.969 peak  1079 weight  1.00000E+00 volume  2.86795E+05 ppm1      2.645 ppm2      8.066
 ASSI { 1092}
   (( segid "   A" and resid 36   and name  HN  ))
   (( segid "   A" and resid 36   and name  HA  ))

      3.754     2.034     0.938 peak  1092 weight  1.00000E+00 volume  2.96816E+05 ppm1      4.405 ppm2      8.068
 ASSI {  708}
   (( segid "   A" and resid 37   and name  HN  ))
   (  segid "   A" and resid 9    and name  HE# )

      6.240     4.520     1.560 peak   708 weight  1.00000E+00 volume  3.20438E+04 ppm1      7.452 ppm2      1.668
 ASSI {  317}
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 33   and name  HA  ))

      4.467     2.747     1.117 peak   317 weight  1.00000E+00 volume  5.94033E+04 ppm1      7.450 ppm2      4.206
 ASSI { 1241}
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 34   and name  HA  ))

      4.849     3.129     1.212 peak  1241 weight  1.00000E+00 volume  8.19210E+04 ppm1      3.698 ppm2      7.457
 ASSI {  322}
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 36   and name  HB2 ))

      3.736     2.016     0.934 peak   322 weight  1.00000E+00 volume  1.76609E+05 ppm1      7.452 ppm2      2.640
 ASSI {  321}
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 36   and name  HB1 ))

      3.688     1.968     0.922 peak   321 weight  1.00000E+00 volume  1.75249E+05 ppm1      7.452 ppm2      2.750
 ASSI {  316}
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 36   and name  HA  ))

      3.743     2.023     0.936 peak   316 weight  1.00000E+00 volume  1.60195E+05 ppm1      7.453 ppm2      4.409
 ASSI {  325}
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 36   and name  HN  ))

      3.608     1.888     0.902 peak   325 weight  1.00000E+00 volume  1.88708E+05 ppm1      7.452 ppm2      8.070
 ASSI {  323}
   (( segid "   A" and resid 37   and name  HB2 ))
   (( segid "   A" and resid 37   and name  HN  ))

      3.691     1.971     0.923 peak   323 weight  1.00000E+00 volume  1.72859E+05 ppm1      7.452 ppm2      2.492
 ASSI { 1070}
   (( segid "   A" and resid 37   and name  HB1 ))
   (( segid "   A" and resid 37   and name  HA  ))

      5.269     3.549     1.317 peak  1070 weight  1.00000E+00 volume  5.70174E+04 ppm1      2.939 ppm2      4.834
 ASSI { 1069}
   (( segid "   A" and resid 37   and name  HB2 ))
   (( segid "   A" and resid 37   and name  HA  ))

      5.339     3.619     1.335 peak  1069 weight  1.00000E+00 volume  4.18165E+04 ppm1      2.506 ppm2      4.832
 ASSI {  188}
   (( segid "   A" and resid 37   and name  HB1 ))
   (( segid "   A" and resid 37   and name  HB2 ))

      3.101     1.381     0.775 peak   188 weight  1.00000E+00 volume  1.27923E+06 ppm1      2.497 ppm2      2.925
 ASSI {  320}
   (( segid "   A" and resid 37   and name  HB1 ))
   (( segid "   A" and resid 37   and name  HN  ))

      3.736     2.016     0.934 peak   320 weight  1.00000E+00 volume  1.61272E+05 ppm1      7.452 ppm2      2.928
 ASSI {  315}
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 37   and name  HA  ))

      3.705     1.985     0.926 peak   315 weight  1.00000E+00 volume  1.78238E+05 ppm1      7.451 ppm2      4.828
 ASSI {  185}
   (( segid "   A" and resid 37   and name  HB2 ))
   (( segid "   A" and resid 38   and name  HD1 ))

      4.843     3.123     1.211 peak   185 weight  1.00000E+00 volume  8.45215E+04 ppm1      3.613 ppm2      2.473
 ASSI {  191}
   (( segid "   A" and resid 37   and name  HB1 ))
   (( segid "   A" and resid 38   and name  HD1 ))

      4.873     3.153     1.218 peak   191 weight  1.00000E+00 volume  8.42190E+04 ppm1      2.921 ppm2      3.600
 ASSI {  190}
   (( segid "   A" and resid 37   and name  HB1 ))
   (( segid "   A" and resid 38   and name  HD2 ))

      4.577     2.857     1.144 peak   190 weight  1.00000E+00 volume  1.09186E+05 ppm1      2.924 ppm2      3.738
 ASSI {  186}
   (( segid "   A" and resid 37   and name  HB2 ))
   (( segid "   A" and resid 38   and name  HD2 ))

      4.748     3.028     1.187 peak   186 weight  1.00000E+00 volume  8.56967E+04 ppm1      3.717 ppm2      2.484
 ASSI {  319}
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 38   and name  HD1 ))

      3.923     2.203     0.981 peak   319 weight  1.00000E+00 volume  1.22573E+05 ppm1      7.450 ppm2      3.603
 ASSI {  318}
   (( segid "   A" and resid 37   and name  HN  ))
   (( segid "   A" and resid 38   and name  HD2 ))

      3.732     2.012     0.933 peak   318 weight  1.00000E+00 volume  1.59512E+05 ppm1      7.451 ppm2      3.704
 ASSI {  310}
   (( segid "   A" and resid 37   and name  HB2 ))
   (( segid "   A" and resid 39   and name  HN  ))

      4.652     2.932     1.163 peak   310 weight  1.00000E+00 volume  4.30279E+04 ppm1      8.059 ppm2      2.471
 ASSI { 1329}
   (( segid "   A" and resid 38   and name  HD1 ))
   (  segid "   A" and resid 4    and name  HE# )

      5.265     3.545     1.316 peak  1329 weight  1.00000E+00 volume  8.50401E+04 ppm1      2.818 ppm2      3.615
 ASSI { 1523}
   (( segid "   A" and resid 38   and name  HD2 ))
   (  segid "   A" and resid 4    and name  HE# )

      5.990     4.270     1.498 peak  1523 weight  1.00000E+00 volume  4.21035E+04 ppm1      2.818 ppm2      3.695
 ASSI { 1171}
   (( segid "   A" and resid 38   and name  HD2 ))
   (  segid "   A" and resid 9    and name  HE# )

      5.142     3.422     1.285 peak  1171 weight  1.00000E+00 volume  2.22338E+05 ppm1      1.674 ppm2      3.729
 ASSI {  167}
   (( segid "   A" and resid 38   and name  HA  ))
   (  segid "   A" and resid 9    and name  HE# )

      5.350     3.630     1.338 peak   167 weight  1.00000E+00 volume  1.18674E+05 ppm1      4.407 ppm2      1.681
 ASSI {  173}
   (( segid "   A" and resid 38   and name  HA  ))
   (  segid "   A" and resid 34   and name  HD# )

      5.102     3.382     1.275 peak   173 weight  1.00000E+00 volume  2.18569E+05 ppm1      4.407 ppm2      0.796
 ASSI {  187}
   (( segid "   A" and resid 38   and name  HA  ))
   (( segid "   A" and resid 38   and name  HD1 ))

      4.321     2.601     1.080 peak   187 weight  1.00000E+00 volume  1.47322E+05 ppm1      3.615 ppm2      4.397
 ASSI {  785}
   (( segid "   A" and resid 38   and name  HA  ))
   (( segid "   A" and resid 38   and name  HD2 ))

      4.368     2.648     1.092 peak   785 weight  1.00000E+00 volume  1.37277E+05 ppm1      3.724 ppm2      4.405
 ASSI {  299}
   (( segid "   A" and resid 38   and name  HA  ))
   (( segid "   A" and resid 41   and name  HN  ))

      4.328     2.608     1.082 peak   299 weight  1.00000E+00 volume  3.45236E+04 ppm1      7.517 ppm2      4.406
 ASSI {  302}
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 37   and name  HA  ))

      4.817     3.097     1.204 peak   302 weight  1.00000E+00 volume  3.54966E+04 ppm1      8.067 ppm2      4.828
 ASSI {  309}
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 38   and name  HD1 ))

      4.667     2.947     1.167 peak   309 weight  1.00000E+00 volume  4.09419E+04 ppm1      8.064 ppm2      3.609
 ASSI {  308}
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 38   and name  HD2 ))

      4.027     2.307     1.007 peak   308 weight  1.00000E+00 volume  9.22380E+04 ppm1      8.065 ppm2      3.728
 ASSI {  304}
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 38   and name  HA  ))

      4.854     3.134     1.214 peak   304 weight  1.00000E+00 volume  4.58057E+04 ppm1      8.069 ppm2      4.404
 ASSI {  307}
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 39   and name  HB1 ))

      3.701     1.981     0.925 peak   307 weight  1.00000E+00 volume  1.48600E+05 ppm1      8.063 ppm2      3.841
 ASSI {  306}
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 39   and name  HB2 ))

      3.637     1.917     0.909 peak   306 weight  1.00000E+00 volume  1.67579E+05 ppm1      8.064 ppm2      3.892
 ASSI {  303}
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 39   and name  HA  ))

      4.353     2.633     1.088 peak   303 weight  1.00000E+00 volume  8.74580E+04 ppm1      8.064 ppm2      4.692
 ASSI {  278}
   (( segid "   A" and resid 39   and name  HN  ))
   (( segid "   A" and resid 41   and name  HN  ))

      4.299     2.579     1.075 peak   278 weight  1.00000E+00 volume  5.43400E+04 ppm1      7.515 ppm2      8.060
 ASSI {  295}
   (( segid "   A" and resid 40   and name  HN  ))
   (  segid "   A" and resid 34   and name  HD# )

      5.502     3.782     1.376 peak   295 weight  1.00000E+00 volume  4.83182E+04 ppm1      7.838 ppm2      0.811
 ASSI { 1072}
   (( segid "   A" and resid 40   and name  HB1 ))
   (( segid "   A" and resid 37   and name  HB1 ))

      4.611     2.891     1.153 peak  1072 weight  1.00000E+00 volume  6.91183E+04 ppm1      2.931 ppm2      1.954
 ASSI {  195}
   (( segid "   A" and resid 40   and name  HB1 ))
   (( segid "   A" and resid 37   and name  HB2 ))

      4.878     3.158     1.220 peak   195 weight  1.00000E+00 volume  9.18634E+04 ppm1      2.497 ppm2      1.945
 ASSI {  763}
   (( segid "   A" and resid 40   and name  HG1 ))
   (( segid "   A" and resid 37   and name  HB1 ))

      4.500     2.780     1.125 peak   763 weight  1.00000E+00 volume  1.54750E+05 ppm1      2.230 ppm2      2.928
 ASSI {  194}
   (( segid "   A" and resid 40   and name  HG1 ))
   (( segid "   A" and resid 37   and name  HB2 ))

      4.722     3.002     1.181 peak   194 weight  1.00000E+00 volume  9.41415E+04 ppm1      2.496 ppm2      2.231
 ASSI {  290}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 37   and name  HB2 ))

      4.560     2.840     1.140 peak   290 weight  1.00000E+00 volume  4.47540E+04 ppm1      7.841 ppm2      2.489
 ASSI {  601}
   (( segid "   A" and resid 40   and name  HE22))
   (( segid "   A" and resid 37   and name  HB1 ))

      4.558     2.838     1.140 peak   601 weight  1.00000E+00 volume  3.59947E+04 ppm1      7.506 ppm2      2.924
 ASSI {  287}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 37   and name  HB1 ))

      4.821     3.101     1.205 peak   287 weight  1.00000E+00 volume  4.10231E+04 ppm1      7.842 ppm2      2.928
 ASSI {  596}
   (( segid "   A" and resid 40   and name  HE21))
   (( segid "   A" and resid 37   and name  HB1 ))

      4.860     3.140     1.215 peak   596 weight  1.00000E+00 volume  3.32849E+04 ppm1      6.774 ppm2      2.903
 ASSI {  281}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 38   and name  HA  ))

      4.754     3.034     1.188 peak   281 weight  1.00000E+00 volume  4.08123E+04 ppm1      7.840 ppm2      4.410
 ASSI {  279}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 39   and name  HA  ))

      4.767     3.047     1.192 peak   279 weight  1.00000E+00 volume  4.83219E+04 ppm1      7.840 ppm2      4.688
 ASSI {  311}
   (( segid "   A" and resid 40   and name  HG2 ))
   (( segid "   A" and resid 39   and name  HN  ))

      4.654     2.934     1.163 peak   311 weight  1.00000E+00 volume  4.31246E+04 ppm1      8.062 ppm2      2.394
 ASSI {  285}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 39   and name  HB1 ))

      4.116     2.396     1.029 peak   285 weight  1.00000E+00 volume  8.33572E+04 ppm1      7.837 ppm2      3.823
 ASSI {  284}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 39   and name  HB2 ))

      4.300     2.580     1.075 peak   284 weight  1.00000E+00 volume  6.75730E+04 ppm1      7.832 ppm2      3.894
 ASSI {  312}
   (( segid "   A" and resid 40   and name  HG1 ))
   (( segid "   A" and resid 39   and name  HN  ))

      4.926     3.206     1.231 peak   312 weight  1.00000E+00 volume  3.92317E+04 ppm1      8.065 ppm2      2.226
 ASSI {  297}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 39   and name  HN  ))

      3.339     1.619     0.835 peak   297 weight  1.00000E+00 volume  3.47979E+05 ppm1      7.838 ppm2      8.062
 ASSI {  756}
   (( segid "   A" and resid 40   and name  HG2 ))
   (( segid "   A" and resid 40   and name  HA  ))

      4.934     3.214     1.234 peak   756 weight  1.00000E+00 volume  7.93961E+04 ppm1      2.386 ppm2      4.580
 ASSI {  606}
   (( segid "   A" and resid 40   and name  HE22))
   (( segid "   A" and resid 40   and name  HB1 ))

      4.605     2.885     1.151 peak   606 weight  1.00000E+00 volume  4.59747E+04 ppm1      7.517 ppm2      1.930
 ASSI {  280}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 40   and name  HA  ))

      3.588     1.868     0.897 peak   280 weight  1.00000E+00 volume  2.32719E+05 ppm1      7.839 ppm2      4.578
 ASSI {  598}
   (( segid "   A" and resid 40   and name  HE21))
   (( segid "   A" and resid 40   and name  HG2 ))

      3.716     1.996     0.929 peak   598 weight  1.00000E+00 volume  2.07252E+05 ppm1      6.776 ppm2      2.382
 ASSI {  748}
   (( segid "   A" and resid 40   and name  HG2 ))
   (( segid "   A" and resid 40   and name  HB1 ))

      3.328     1.608     0.832 peak   748 weight  1.00000E+00 volume  4.75308E+05 ppm1      1.933 ppm2      2.380
 ASSI {  289}
   (( segid "   A" and resid 40   and name  HB2 ))
   (( segid "   A" and resid 40   and name  HN  ))

      3.616     1.896     0.904 peak   289 weight  1.00000E+00 volume  2.04110E+05 ppm1      7.838 ppm2      2.597
 ASSI {  754}
   (( segid "   A" and resid 40   and name  HB1 ))
   (( segid "   A" and resid 40   and name  HA  ))

      5.089     3.369     1.272 peak   754 weight  1.00000E+00 volume  7.60239E+04 ppm1      1.935 ppm2      4.586
 ASSI {  757}
   (( segid "   A" and resid 40   and name  HG1 ))
   (( segid "   A" and resid 40   and name  HA  ))

      5.007     3.287     1.252 peak   757 weight  1.00000E+00 volume  9.37646E+04 ppm1      2.233 ppm2      4.577
 ASSI {  293}
   (( segid "   A" and resid 40   and name  HB1 ))
   (( segid "   A" and resid 40   and name  HN  ))

      3.322     1.602     0.831 peak   293 weight  1.00000E+00 volume  3.09772E+05 ppm1      7.837 ppm2      1.929
 ASSI {  752}
   (( segid "   A" and resid 40   and name  HB2 ))
   (( segid "   A" and resid 40   and name  HA  ))

      4.439     2.719     1.110 peak   752 weight  1.00000E+00 volume  1.58400E+05 ppm1      4.582 ppm2      2.625
 ASSI {  744}
   (( segid "   A" and resid 40   and name  HG1 ))
   (( segid "   A" and resid 40   and name  HB2 ))

      3.576     1.856     0.894 peak   744 weight  1.00000E+00 volume  2.89439E+05 ppm1      2.598 ppm2      2.231
 ASSI {  747}
   (( segid "   A" and resid 40   and name  HB1 ))
   (( segid "   A" and resid 40   and name  HB2 ))

      3.563     1.843     0.891 peak   747 weight  1.00000E+00 volume  5.12168E+05 ppm1      1.935 ppm2      2.594
 ASSI {  599}
   (( segid "   A" and resid 40   and name  HE21))
   (( segid "   A" and resid 40   and name  HG1 ))

      3.471     1.751     0.868 peak   599 weight  1.00000E+00 volume  2.92223E+05 ppm1      6.775 ppm2      2.230
 ASSI {  743}
   (( segid "   A" and resid 40   and name  HG2 ))
   (( segid "   A" and resid 40   and name  HB2 ))

      3.418     1.698     0.854 peak   743 weight  1.00000E+00 volume  3.49390E+05 ppm1      2.597 ppm2      2.386
 ASSI {  753}
   (( segid "   A" and resid 40   and name  HG1 ))
   (( segid "   A" and resid 40   and name  HG2 ))

      2.817     1.097     0.704 peak   753 weight  1.00000E+00 volume  1.96164E+06 ppm1      2.231 ppm2      2.386
 ASSI {  602}
   (( segid "   A" and resid 40   and name  HE22))
   (( segid "   A" and resid 40   and name  HB2 ))

      4.675     2.955     1.169 peak   602 weight  1.00000E+00 volume  4.02366E+04 ppm1      7.514 ppm2      2.599
 ASSI {  749}
   (( segid "   A" and resid 40   and name  HG1 ))
   (( segid "   A" and resid 40   and name  HB1 ))

      3.279     1.559     0.820 peak   749 weight  1.00000E+00 volume  4.67556E+05 ppm1      1.937 ppm2      2.240
 ASSI {  291}
   (( segid "   A" and resid 40   and name  HG2 ))
   (( segid "   A" and resid 40   and name  HN  ))

      3.582     1.862     0.895 peak   291 weight  1.00000E+00 volume  2.37508E+05 ppm1      7.838 ppm2      2.385
 ASSI {  597}
   (( segid "   A" and resid 40   and name  HE21))
   (( segid "   A" and resid 40   and name  HB2 ))

      4.816     3.096     1.204 peak   597 weight  1.00000E+00 volume  4.78264E+04 ppm1      6.774 ppm2      2.598
 ASSI {  594}
   (( segid "   A" and resid 40   and name  HE22))
   (( segid "   A" and resid 40   and name  HA  ))

      4.500     2.780     1.125 peak   594 weight  1.00000E+00 volume  5.33809E+04 ppm1      7.514 ppm2      4.575
 ASSI {  292}
   (( segid "   A" and resid 40   and name  HG1 ))
   (( segid "   A" and resid 40   and name  HN  ))

      3.572     1.852     0.893 peak   292 weight  1.00000E+00 volume  2.30496E+05 ppm1      7.838 ppm2      2.230
 ASSI {  604}
   (( segid "   A" and resid 40   and name  HE22))
   (( segid "   A" and resid 40   and name  HG2 ))

      3.744     2.024     0.936 peak   604 weight  1.00000E+00 volume  1.92968E+05 ppm1      7.514 ppm2      2.384
 ASSI {  600}
   (( segid "   A" and resid 40   and name  HE21))
   (( segid "   A" and resid 40   and name  HB1 ))

      4.903     3.183     1.226 peak   600 weight  1.00000E+00 volume  3.79365E+04 ppm1      6.779 ppm2      1.939
 ASSI {  605}
   (( segid "   A" and resid 40   and name  HE22))
   (( segid "   A" and resid 40   and name  HG1 ))

      3.546     1.826     0.887 peak   605 weight  1.00000E+00 volume  2.48749E+05 ppm1      7.514 ppm2      2.231
 ASSI {  595}
   (( segid "   A" and resid 40   and name  HE21))
   (( segid "   A" and resid 40   and name  HA  ))

      4.250     2.530     1.063 peak   595 weight  1.00000E+00 volume  8.73366E+04 ppm1      6.776 ppm2      4.575
 ASSI {  592}
   (( segid "   A" and resid 40   and name  HE22))
   (( segid "   A" and resid 40   and name  HE21))

      2.302     0.582     0.575 peak   592 weight  1.00000E+00 volume  3.56772E+06 ppm1      6.776 ppm2      7.508
 ASSI {  270}
   (( segid "   A" and resid 40   and name  HB1 ))
   (( segid "   A" and resid 41   and name  HN  ))

      4.653     2.933     1.163 peak   270 weight  1.00000E+00 volume  5.88955E+04 ppm1      7.520 ppm2      1.940
 ASSI {  706}
   (( segid "   A" and resid 40   and name  HG2 ))
   (( segid "   A" and resid 41   and name  HN  ))

      4.725     3.005     1.181 peak   706 weight  1.00000E+00 volume  2.72983E+04 ppm1      7.516 ppm2      2.396
 ASSI {  267}
   (( segid "   A" and resid 40   and name  HA  ))
   (( segid "   A" and resid 41   and name  HN  ))

      4.120     2.400     1.030 peak   267 weight  1.00000E+00 volume  9.52818E+04 ppm1      7.519 ppm2      4.578
 ASSI {  276}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 41   and name  HN  ))

      3.316     1.596     0.829 peak   276 weight  1.00000E+00 volume  2.32253E+05 ppm1      7.516 ppm2      7.835
 ASSI {  705}
   (( segid "   A" and resid 40   and name  HB2 ))
   (( segid "   A" and resid 41   and name  HN  ))

      4.313     2.593     1.078 peak   705 weight  1.00000E+00 volume  4.39895E+04 ppm1      7.514 ppm2      2.594
 ASSI {  298}
   (( segid "   A" and resid 40   and name  HN  ))
   (( segid "   A" and resid 42   and name  HN  ))

      4.660     2.940     1.165 peak   298 weight  1.00000E+00 volume  4.76507E+04 ppm1      7.845 ppm2      8.458
 ASSI {  260}
   (( segid "   A" and resid 40   and name  HA  ))
   (( segid "   A" and resid 42   and name  HN  ))

      4.584     2.864     1.146 peak   260 weight  1.00000E+00 volume  5.61688E+04 ppm1      8.460 ppm2      4.575
 ASSI {  770}
   (( segid "   A" and resid 40   and name  HB2 ))
   (  segid "   A" and resid 43   and name  HB# )

      4.849     3.129     1.212 peak   770 weight  1.00000E+00 volume  1.01348E+05 ppm1      2.598 ppm2      2.842
 ASSI {  764}
   (( segid "   A" and resid 40   and name  HG1 ))
   (  segid "   A" and resid 43   and name  HB# )

      4.693     2.973     1.173 peak   764 weight  1.00000E+00 volume  9.07216E+04 ppm1      2.232 ppm2      2.848
 ASSI {  703}
   (( segid "   A" and resid 40   and name  HB1 ))
   (  segid "   A" and resid 43   and name  HB# )

      4.416     2.696     1.104 peak   703 weight  1.00000E+00 volume  1.35030E+05 ppm1      2.846 ppm2      1.931
 ASSI {  745}
   (( segid "   A" and resid 40   and name  HB2 ))
   (( segid "   A" and resid 44   and name  HG  ))

      4.246     2.526     1.061 peak   745 weight  1.00000E+00 volume  1.81655E+05 ppm1      2.597 ppm2      1.811
 ASSI {  650}
   (( segid "   A" and resid 40   and name  HB2 ))
   (  segid "   A" and resid 44   and name  HD2#)

      5.683     3.963     1.421 peak   650 weight  1.00000E+00 volume  1.67041E+05 ppm1      1.041 ppm2      2.600
 ASSI {  664}
   (( segid "   A" and resid 40   and name  HB1 ))
   (  segid "   A" and resid 44   and name  HD1#)

      4.535     2.815     1.134 peak   664 weight  1.00000E+00 volume  5.07155E+05 ppm1      0.751 ppm2      1.920
 ASSI {  661}
   (( segid "   A" and resid 40   and name  HB2 ))
   (  segid "   A" and resid 44   and name  HD1#)

      5.015     3.295     1.254 peak   661 weight  1.00000E+00 volume  2.86756E+05 ppm1      0.751 ppm2      2.597
 ASSI {  687}
   (( segid "   A" and resid 40   and name  HN  ))
   (  segid "   A" and resid 44   and name  HD2#)

      5.041     3.321     1.260 peak   687 weight  1.00000E+00 volume  3.17880E+05 ppm1      1.041 ppm2      7.845
 ASSI {  768}
   (( segid "   A" and resid 40   and name  HG2 ))
   (( segid "   A" and resid 44   and name  HG  ))

      3.895     2.175     0.974 peak   768 weight  1.00000E+00 volume  3.05521E+05 ppm1      2.387 ppm2      1.808
 ASSI {  662}
   (( segid "   A" and resid 40   and name  HG2 ))
   (  segid "   A" and resid 44   and name  HD1#)

      5.266     3.546     1.317 peak   662 weight  1.00000E+00 volume  1.40285E+05 ppm1      0.750 ppm2      2.388
 ASSI {  639}
   (( segid "   A" and resid 40   and name  HB1 ))
   (( segid "   A" and resid 44   and name  HG  ))

      4.195     2.475     1.049 peak   639 weight  1.00000E+00 volume  2.02520E+05 ppm1      1.796 ppm2      1.921
 ASSI {  765}
   (( segid "   A" and resid 40   and name  HG1 ))
   (( segid "   A" and resid 44   and name  HG  ))

      3.825     2.105     0.956 peak   765 weight  1.00000E+00 volume  1.60171E+05 ppm1      2.225 ppm2      1.821
 ASSI {  766}
   (( segid "   A" and resid 40   and name  HG1 ))
   (  segid "   A" and resid 44   and name  HD1#)

      5.353     3.633     1.338 peak   766 weight  1.00000E+00 volume  1.26824E+05 ppm1      2.228 ppm2      0.748
 ASSI { 1450}
   (  segid "   A" and resid 41   and name  HB# )
   (( segid "   A" and resid 9    and name  HA  ))

      4.139     2.419     1.035 peak  1450 weight  1.00000E+00 volume  1.87600E+05 ppm1      4.152 ppm2      3.766
 ASSI { 1096}
   (  segid "   A" and resid 41   and name  HB# )
   (  segid "   A" and resid 12   and name  HB# )

      4.098     2.378     1.024 peak  1096 weight  1.00000E+00 volume  3.12662E+05 ppm1      1.412 ppm2      3.760
 ASSI {  742}
   (( segid "   A" and resid 41   and name  HB1 ))
   (  segid "   A" and resid 12   and name  HB# )

      4.506     2.786     1.127 peak   742 weight  1.00000E+00 volume  3.57196E+05 ppm1      3.760 ppm2      1.402
 ASSI {  273}
   (( segid "   A" and resid 41   and name  HN  ))
   (  segid "   A" and resid 34   and name  HD# )

      4.807     3.087     1.202 peak   273 weight  1.00000E+00 volume  1.18196E+05 ppm1      7.516 ppm2      0.813
 ASSI {  266}
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 39   and name  HA  ))

      4.690     2.970     1.172 peak   266 weight  1.00000E+00 volume  4.84078E+04 ppm1      7.520 ppm2      4.689
 ASSI {  734}
   (( segid "   A" and resid 41   and name  HN  ))
   (  segid "   A" and resid 41   and name  HB# )

      3.673     1.953     0.918 peak   734 weight  1.00000E+00 volume  4.24660E+05 ppm1      3.756 ppm2      7.518
 ASSI {  269}
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 41   and name  HA  ))

      3.206     1.486     0.801 peak   269 weight  1.00000E+00 volume  3.88394E+05 ppm1      7.517 ppm2      3.752
 OR {  269}
   (( segid "   A" and resid 41   and name  HN  ))
   (  segid "   A" and resid 41   and name  HB# )
 ASSI {  258}
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 42   and name  HN  ))

      3.812     2.092     0.953 peak   258 weight  1.00000E+00 volume  1.30917E+05 ppm1      8.458 ppm2      7.515
 ASSI {  272}
   (( segid "   A" and resid 41   and name  HN  ))
   (  segid "   A" and resid 42   and name  HB# )

      5.359     3.639     1.340 peak   272 weight  1.00000E+00 volume  5.05591E+04 ppm1      7.516 ppm2      1.380
 ASSI {  633}
   (( segid "   A" and resid 41   and name  HA  ))
   (( segid "   A" and resid 44   and name  HB2 ))

      4.318     2.598     1.080 peak   633 weight  1.00000E+00 volume  1.66626E+05 ppm1      1.810 ppm2      3.761
 OR {  633}
   (( segid "   A" and resid 44   and name  HG  ))
   (( segid "   A" and resid 41   and name  HA  ))
 ASSI {  739}
   (( segid "   A" and resid 41   and name  HA  ))
   (( segid "   A" and resid 44   and name  HB2 ))

      4.360     2.640     1.090 peak   739 weight  1.00000E+00 volume  1.80760E+05 ppm1      3.764 ppm2      1.814
 ASSI {  635}
   (( segid "   A" and resid 41   and name  HA  ))
   (( segid "   A" and resid 44   and name  HB1 ))

      4.423     2.703     1.106 peak   635 weight  1.00000E+00 volume  1.54781E+05 ppm1      1.250 ppm2      3.764
 ASSI {  271}
   (( segid "   A" and resid 41   and name  HN  ))
   (( segid "   A" and resid 44   and name  HG  ))

      4.626     2.906     1.156 peak   271 weight  1.00000E+00 volume  3.89939E+04 ppm1      7.516 ppm2      1.809
 ASSI {  274}
   (( segid "   A" and resid 41   and name  HN  ))
   (  segid "   A" and resid 44   and name  HD1#)

      5.559     3.839     1.390 peak   274 weight  1.00000E+00 volume  5.38563E+04 ppm1      7.517 ppm2      0.760
 ASSI {  259}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 39   and name  HA  ))

      4.527     2.807     1.132 peak   259 weight  1.00000E+00 volume  5.74645E+04 ppm1      8.460 ppm2      4.692
 ASSI {  738}
   (( segid "   A" and resid 42   and name  HN  ))
   (  segid "   A" and resid 41   and name  HB# )

      4.349     2.629     1.087 peak   738 weight  1.00000E+00 volume  1.42856E+05 ppm1      3.753 ppm2      8.444
 ASSI {  331}
   (( segid "   A" and resid 42   and name  HA  ))
   (  segid "   A" and resid 41   and name  HB# )

      3.737     2.017     0.934 peak   331 weight  1.00000E+00 volume  4.33699E+05 ppm1      4.062 ppm2      3.766
 ASSI {  263}
   (( segid "   A" and resid 42   and name  HN  ))
   (( segid "   A" and resid 41   and name  HA  ))

      3.376     1.656     0.844 peak   263 weight  1.00000E+00 volume  2.78383E+05 ppm1      8.460 ppm2      3.751
 OR {  263}
   (( segid "   A" and resid 42   and name  HN  ))
   (  segid "   A" and resid 41   and name  HB# )
 ASSI {  265}
   (( segid "   A" and resid 42   and name  HN  ))
   (  segid "   A" and resid 42   and name  HB# )

      3.292     1.572     0.823 peak   265 weight  1.00000E+00 volume  1.04979E+06 ppm1      8.460 ppm2      1.374
 ASSI {  262}
   (( segid "   A" and resid 42   and name  HA  ))
   (( segid "   A" and resid 42   and name  HN  ))

      3.227     1.507     0.807 peak   262 weight  1.00000E+00 volume  3.96792E+05 ppm1      8.460 ppm2      4.057
 ASSI {  330}
   (( segid "   A" and resid 42   and name  HA  ))
   (  segid "   A" and resid 42   and name  HB# )

      3.203     1.483     0.801 peak   330 weight  1.00000E+00 volume  2.74433E+06 ppm1      4.062 ppm2      1.378
 ASSI {  706}
   (  segid "   A" and resid 42   and name  HB# )
   (  segid "   A" and resid 43   and name  HB# )

      4.623     2.903     1.156 peak   706 weight  1.00000E+00 volume  3.39068E+05 ppm1      2.845 ppm2      1.383
 ASSI {  573}
   (( segid "   A" and resid 42   and name  HA  ))
   (( segid "   A" and resid 45   and name  HB2 ))

      4.711     2.991     1.178 peak   573 weight  1.00000E+00 volume  8.78750E+04 ppm1      1.533 ppm2      4.061
 ASSI {  551}
   (( segid "   A" and resid 42   and name  HA  ))
   (( segid "   A" and resid 45   and name  HG  ))

      4.268     2.548     1.067 peak   551 weight  1.00000E+00 volume  1.48634E+05 ppm1      1.547 ppm2      4.044
 ASSI {  722}
   (( segid "   A" and resid 42   and name  HA  ))
   (  segid "   A" and resid 45   and name  HD2#)

      3.650     1.930     0.912 peak   722 weight  1.00000E+00 volume  1.54312E+06 ppm1      4.061 ppm2      0.835
 OR {  722}
   (( segid "   A" and resid 42   and name  HA  ))
   (  segid "   A" and resid 45   and name  HD1#)
 ASSI {  732}
   (( segid "   A" and resid 42   and name  HA  ))
   (( segid "   A" and resid 45   and name  HN  ))

      3.982     2.262     0.995 peak   732 weight  1.00000E+00 volume  2.23131E+05 ppm1      4.060 ppm2      8.359
 ASSI {  727}
   (( segid "   A" and resid 42   and name  HA  ))
   (( segid "   A" and resid 46   and name  HN  ))

      4.154     2.434     1.039 peak   727 weight  1.00000E+00 volume  2.20587E+05 ppm1      4.059 ppm2      7.551
 ASSI {  578}
   (( segid "   A" and resid 43   and name  HD22))
   (( segid "   A" and resid 40   and name  HA  ))

      4.375     2.655     1.094 peak   578 weight  1.00000E+00 volume  7.52730E+04 ppm1      7.693 ppm2      4.576
 ASSI {  583}
   (( segid "   A" and resid 43   and name  HD22))
   (( segid "   A" and resid 40   and name  HG1 ))

      4.897     3.177     1.224 peak   583 weight  1.00000E+00 volume  4.97149E+04 ppm1      7.696 ppm2      2.232
 ASSI {  590}
   (( segid "   A" and resid 43   and name  HD21))
   (( segid "   A" and resid 40   and name  HG1 ))

      5.012     3.292     1.253 peak   590 weight  1.00000E+00 volume  4.03003E+04 ppm1      6.935 ppm2      2.228
 ASSI {  582}
   (( segid "   A" and resid 43   and name  HD22))
   (( segid "   A" and resid 40   and name  HG2 ))

      4.984     3.264     1.246 peak   582 weight  1.00000E+00 volume  4.32797E+04 ppm1      7.697 ppm2      2.384
 ASSI {  581}
   (( segid "   A" and resid 43   and name  HD22))
   (( segid "   A" and resid 40   and name  HB2 ))

      4.900     3.180     1.225 peak   581 weight  1.00000E+00 volume  4.09621E+04 ppm1      7.695 ppm2      2.597
 ASSI {  229}
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 40   and name  HA  ))

      4.076     2.356     1.019 peak   229 weight  1.00000E+00 volume  1.07742E+05 ppm1      7.869 ppm2      4.575
 ASSI {  585}
   (( segid "   A" and resid 43   and name  HD21))
   (( segid "   A" and resid 40   and name  HA  ))

      4.494     2.774     1.124 peak   585 weight  1.00000E+00 volume  6.64541E+04 ppm1      6.936 ppm2      4.579
 ASSI {  733}
   (( segid "   A" and resid 43   and name  HN  ))
   (  segid "   A" and resid 41   and name  HB# )

      4.396     2.676     1.099 peak   733 weight  1.00000E+00 volume  1.56138E+05 ppm1      3.761 ppm2      7.877
 ASSI {  233}
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 41   and name  HA  ))

      4.222     2.502     1.055 peak   233 weight  1.00000E+00 volume  8.18439E+04 ppm1      7.867 ppm2      3.756
 ASSI {  227}
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 41   and name  HN  ))

      4.172     2.452     1.043 peak   227 weight  1.00000E+00 volume  7.49877E+04 ppm1      7.868 ppm2      7.533
 ASSI {  237}
   (( segid "   A" and resid 43   and name  HN  ))
   (  segid "   A" and resid 42   and name  HB# )

      3.646     1.926     0.912 peak   237 weight  1.00000E+00 volume  6.28364E+05 ppm1      7.867 ppm2      1.374
 ASSI {  232}
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 42   and name  HA  ))

      3.601     1.881     0.900 peak   232 weight  1.00000E+00 volume  1.69117E+05 ppm1      7.867 ppm2      4.057
 ASSI {  584}
   (( segid "   A" and resid 43   and name  HD22))
   (  segid "   A" and resid 42   and name  HB# )

      5.514     3.794     1.378 peak   584 weight  1.00000E+00 volume  5.89154E+04 ppm1      7.697 ppm2      1.378
 ASSI {  591}
   (( segid "   A" and resid 43   and name  HD21))
   (  segid "   A" and resid 42   and name  HB# )

      5.773     4.053     1.443 peak   591 weight  1.00000E+00 volume  3.79960E+04 ppm1      6.941 ppm2      1.377
 ASSI {  221}
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 42   and name  HN  ))

      3.250     1.530     0.813 peak   221 weight  1.00000E+00 volume  4.52530E+05 ppm1      7.868 ppm2      8.457
 ASSI {  699}
   (( segid "   A" and resid 43   and name  HA  ))
   (  segid "   A" and resid 43   and name  HB# )

      3.390     1.670     0.848 peak   699 weight  1.00000E+00 volume  7.67653E+05 ppm1      2.845 ppm2      4.469
 ASSI {  230}
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 43   and name  HA  ))

      3.220     1.500     0.805 peak   230 weight  1.00000E+00 volume  4.47480E+05 ppm1      7.868 ppm2      4.465
 ASSI {  587}
   (( segid "   A" and resid 43   and name  HD21))
   (  segid "   A" and resid 43   and name  HB# )

      3.118     1.398     0.780 peak   587 weight  1.00000E+00 volume  5.27503E+05 ppm1      6.938 ppm2      2.841
 ASSI {  580}
   (( segid "   A" and resid 43   and name  HD22))
   (  segid "   A" and resid 43   and name  HB# )

      3.026     1.306     0.756 peak   580 weight  1.00000E+00 volume  6.39017E+05 ppm1      7.696 ppm2      2.840
 ASSI {  234}
   (( segid "   A" and resid 43   and name  HN  ))
   (  segid "   A" and resid 43   and name  HB# )

      2.861     1.141     0.715 peak   234 weight  1.00000E+00 volume  8.74925E+05 ppm1      7.868 ppm2      2.841
 ASSI {  579}
   (( segid "   A" and resid 43   and name  HD22))
   (( segid "   A" and resid 43   and name  HA  ))

      4.092     2.372     1.023 peak   579 weight  1.00000E+00 volume  1.14022E+05 ppm1      7.696 ppm2      4.464
 ASSI {  226}
   (( segid "   A" and resid 43   and name  HD22))
   (( segid "   A" and resid 43   and name  HN  ))

      3.661     1.941     0.915 peak   226 weight  1.00000E+00 volume  8.88034E+04 ppm1      7.869 ppm2      7.692
 ASSI {  586}
   (( segid "   A" and resid 43   and name  HD21))
   (( segid "   A" and resid 43   and name  HA  ))

      4.190     2.470     1.047 peak   586 weight  1.00000E+00 volume  9.35878E+04 ppm1      6.936 ppm2      4.465
 ASSI {  228}
   (( segid "   A" and resid 43   and name  HD21))
   (( segid "   A" and resid 43   and name  HN  ))

      3.672     1.952     0.918 peak   228 weight  1.00000E+00 volume  6.80472E+04 ppm1      7.868 ppm2      6.934
 ASSI {  570}
   (( segid "   A" and resid 43   and name  HD22))
   (( segid "   A" and resid 43   and name  HD21))

      2.249     0.529     0.562 peak   570 weight  1.00000E+00 volume  4.69690E+06 ppm1      7.696 ppm2      6.936
 ASSI {  238}
   (( segid "   A" and resid 43   and name  HN  ))
   (  segid "   A" and resid 44   and name  HD2#)

      6.059     4.339     1.515 peak   238 weight  1.00000E+00 volume  5.28453E+04 ppm1      7.865 ppm2      1.040
 ASSI {  220}
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 44   and name  HN  ))

      3.313     1.593     0.828 peak   220 weight  1.00000E+00 volume  3.54791E+05 ppm1      7.868 ppm2      8.593
 ASSI {  235}
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 44   and name  HG  ))

      3.922     2.202     0.980 peak   235 weight  1.00000E+00 volume  1.24084E+05 ppm1      7.868 ppm2      1.806
 ASSI {  240}
   (( segid "   A" and resid 43   and name  HN  ))
   (  segid "   A" and resid 44   and name  HD1#)

      5.637     3.917     1.409 peak   240 weight  1.00000E+00 volume  5.08038E+04 ppm1      7.867 ppm2      0.752
 ASSI {  222}
   (( segid "   A" and resid 43   and name  HN  ))
   (( segid "   A" and resid 45   and name  HN  ))

      4.347     2.627     1.087 peak   222 weight  1.00000E+00 volume  5.74589E+04 ppm1      7.868 ppm2      8.339
 ASSI {  236}
   (( segid "   A" and resid 43   and name  HN  ))
   (  segid "   A" and resid 46   and name  HB# )

      5.025     3.305     1.256 peak   236 weight  1.00000E+00 volume  1.04414E+05 ppm1      7.868 ppm2      1.496
 ASSI {  589}
   (( segid "   A" and resid 43   and name  HD21))
   (( segid "   A" and resid 47   and name  HG1 ))

      4.749     3.029     1.187 peak   589 weight  1.00000E+00 volume  3.18945E+04 ppm1      6.941 ppm2      2.397
 ASSI {  938}
   (  segid "   A" and resid 44   and name  HD2#)
   (( segid "   A" and resid 30   and name  HA  ))

      5.291     3.571     1.323 peak   938 weight  1.00000E+00 volume  1.90662E+05 ppm1      4.256 ppm2      1.039
 ASSI {  657}
   (  segid "   A" and resid 44   and name  HD1#)
   (( segid "   A" and resid 33   and name  HB1 ))

      4.684     2.964     1.171 peak   657 weight  1.00000E+00 volume  3.92381E+05 ppm1      0.751 ppm2      4.058
 ASSI {  658}
   (  segid "   A" and resid 44   and name  HD1#)
   (( segid "   A" and resid 33   and name  HB2 ))

      4.636     2.916     1.159 peak   658 weight  1.00000E+00 volume  4.27102E+05 ppm1      0.751 ppm2      3.933
 ASSI {  647}
   (  segid "   A" and resid 44   and name  HD2#)
   (( segid "   A" and resid 33   and name  HB2 ))

      4.366     2.646     1.091 peak   647 weight  1.00000E+00 volume  6.81794E+05 ppm1      1.040 ppm2      3.939
 ASSI {  988}
   (  segid "   A" and resid 44   and name  HD2#)
   (( segid "   A" and resid 33   and name  HB1 ))

      4.312     2.592     1.078 peak   988 weight  1.00000E+00 volume  2.43082E+05 ppm1      4.055 ppm2      1.028
 ASSI {  995}
   (  segid "   A" and resid 44   and name  HD2#)
   (( segid "   A" and resid 34   and name  HA  ))

      5.623     3.903     1.406 peak   995 weight  1.00000E+00 volume  1.01426E+05 ppm1      3.697 ppm2      1.039
 ASSI {  659}
   (  segid "   A" and resid 44   and name  HD1#)
   (( segid "   A" and resid 34   and name  HA  ))

      3.982     2.262     0.995 peak   659 weight  1.00000E+00 volume  1.00669E+06 ppm1      0.752 ppm2      3.708
 ASSI {  251}
   (( segid "   A" and resid 44   and name  HN  ))
   (  segid "   A" and resid 34   and name  HD# )

      4.974     3.254     1.243 peak   251 weight  1.00000E+00 volume  1.07330E+05 ppm1      8.600 ppm2      0.817
 ASSI {  648}
   (  segid "   A" and resid 44   and name  HD2#)
   (( segid "   A" and resid 41   and name  HA  ))

      4.904     3.184     1.226 peak   648 weight  1.00000E+00 volume  3.25533E+05 ppm1      1.041 ppm2      3.742
 ASSI {  244}
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 41   and name  HA  ))

      4.235     2.515     1.059 peak   244 weight  1.00000E+00 volume  7.95361E+04 ppm1      8.599 ppm2      3.763
 ASSI {  248}
   (( segid "   A" and resid 44   and name  HN  ))
   (  segid "   A" and resid 42   and name  HB# )

      4.973     3.253     1.243 peak   248 weight  1.00000E+00 volume  6.15124E+04 ppm1      8.600 ppm2      1.375
 ASSI {  255}
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 42   and name  HN  ))

      3.830     2.110     0.958 peak   255 weight  1.00000E+00 volume  1.25879E+05 ppm1      8.458 ppm2      8.589
 ASSI {  243}
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 42   and name  HA  ))

      4.588     2.868     1.147 peak   243 weight  1.00000E+00 volume  4.89826E+04 ppm1      8.598 ppm2      4.065
 ASSI {  637}
   (( segid "   A" and resid 44   and name  HG  ))
   (  segid "   A" and resid 43   and name  HB# )

      3.845     2.125     0.961 peak   637 weight  1.00000E+00 volume  1.33968E+05 ppm1      1.801 ppm2      2.843
 ASSI {  649}
   (  segid "   A" and resid 44   and name  HD2#)
   (( segid "   A" and resid 43   and name  HB2 ))

      5.180     3.460     1.295 peak   649 weight  1.00000E+00 volume  2.68116E+05 ppm1      1.041 ppm2      2.851
 ASSI {  241}
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 43   and name  HA  ))

      4.294     2.574     1.073 peak   241 weight  1.00000E+00 volume  7.48165E+04 ppm1      8.596 ppm2      4.465
 ASSI {  245}
   (( segid "   A" and resid 44   and name  HN  ))
   (  segid "   A" and resid 43   and name  HB# )

      3.537     1.817     0.884 peak   245 weight  1.00000E+00 volume  2.49792E+05 ppm1      8.600 ppm2      2.840
 ASSI {  631}
   (  segid "   A" and resid 44   and name  HD2#)
   (( segid "   A" and resid 44   and name  HB2 ))

      4.250     2.530     1.062 peak   631 weight  1.00000E+00 volume  4.56063E+05 ppm1      1.824 ppm2      1.021
 ASSI {  622}
   (  segid "   A" and resid 44   and name  HD2#)
   (( segid "   A" and resid 44   and name  HA  ))

      3.703     1.983     0.926 peak   622 weight  1.00000E+00 volume  1.28256E+06 ppm1      4.147 ppm2      1.034
 ASSI {  621}
   (( segid "   A" and resid 44   and name  HB1 ))
   (( segid "   A" and resid 44   and name  HA  ))

      3.897     2.177     0.974 peak   621 weight  1.00000E+00 volume  3.30712E+05 ppm1      4.145 ppm2      1.248
 ASSI {  645}
   (( segid "   A" and resid 44   and name  HG  ))
   (  segid "   A" and resid 44   and name  HD1#)

      4.214     2.494     1.054 peak   645 weight  1.00000E+00 volume  6.68318E+05 ppm1      1.803 ppm2      0.754
 ASSI {  246}
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 44   and name  HB2 ))

      3.401     1.681     0.850 peak   246 weight  1.00000E+00 volume  2.89318E+05 ppm1      8.599 ppm2      1.807
 OR {  246}
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 44   and name  HG  ))
 ASSI {  627}
   (  segid "   A" and resid 44   and name  HD2#)
   (( segid "   A" and resid 44   and name  HB1 ))

      3.971     2.251     0.993 peak   627 weight  1.00000E+00 volume  4.44943E+05 ppm1      1.251 ppm2      1.040
 ASSI {  653}
   (  segid "   A" and resid 44   and name  HD2#)
   (( segid "   A" and resid 44   and name  HB2 ))

      3.494     1.774     0.873 peak   653 weight  1.00000E+00 volume  2.63813E+06 ppm1      1.041 ppm2      1.804
 OR {  653}
   (( segid "   A" and resid 44   and name  HG  ))
   (  segid "   A" and resid 44   and name  HD2#)
 ASSI {  643}
   (( segid "   A" and resid 44   and name  HG  ))
   (( segid "   A" and resid 44   and name  HB1 ))

      4.180     2.460     1.045 peak   643 weight  1.00000E+00 volume  2.29459E+05 ppm1      1.805 ppm2      1.249
 ASSI {  252}
   (( segid "   A" and resid 44   and name  HN  ))
   (  segid "   A" and resid 44   and name  HD1#)

      4.623     2.903     1.156 peak   252 weight  1.00000E+00 volume  1.74297E+05 ppm1      8.600 ppm2      0.754
 ASSI {  665}
   (  segid "   A" and resid 44   and name  HD1#)
   (( segid "   A" and resid 44   and name  HB2 ))

      3.607     1.887     0.902 peak   665 weight  1.00000E+00 volume  1.96934E+06 ppm1      0.751 ppm2      1.804
 OR {  665}
   (( segid "   A" and resid 44   and name  HG  ))
   (  segid "   A" and resid 44   and name  HD1#)
 ASSI {  623}
   (  segid "   A" and resid 44   and name  HD1#)
   (( segid "   A" and resid 44   and name  HA  ))

      4.440     2.720     1.110 peak   623 weight  1.00000E+00 volume  4.06361E+05 ppm1      4.146 ppm2      0.776
 ASSI {  624}
   (( segid "   A" and resid 44   and name  HB1 ))
   (( segid "   A" and resid 44   and name  HB2 ))

      3.408     1.688     0.852 peak   624 weight  1.00000E+00 volume  7.11406E+05 ppm1      1.251 ppm2      1.808
 OR {  624}
   (( segid "   A" and resid 44   and name  HG  ))
   (( segid "   A" and resid 44   and name  HB1 ))
 ASSI {  630}
   (  segid "   A" and resid 44   and name  HD1#)
   (( segid "   A" and resid 44   and name  HB2 ))

      4.195     2.475     1.049 peak   630 weight  1.00000E+00 volume  5.48497E+05 ppm1      1.821 ppm2      0.773
 ASSI {  250}
   (( segid "   A" and resid 44   and name  HN  ))
   (  segid "   A" and resid 44   and name  HD2#)

      4.666     2.946     1.167 peak   250 weight  1.00000E+00 volume  1.57214E+05 ppm1      8.599 ppm2      1.040
 ASSI {  629}
   (( segid "   A" and resid 44   and name  HB2 ))
   (( segid "   A" and resid 44   and name  HA  ))

      3.219     1.499     0.805 peak   629 weight  1.00000E+00 volume  8.37480E+05 ppm1      4.145 ppm2      1.806
 OR {  629}
   (( segid "   A" and resid 44   and name  HG  ))
   (( segid "   A" and resid 44   and name  HA  ))
 ASSI {  644}
   (( segid "   A" and resid 44   and name  HG  ))
   (  segid "   A" and resid 44   and name  HD2#)

      4.076     2.356     1.019 peak   644 weight  1.00000E+00 volume  7.40265E+05 ppm1      1.803 ppm2      1.039
 ASSI {  628}
   (  segid "   A" and resid 44   and name  HD1#)
   (( segid "   A" and resid 44   and name  HB1 ))

      4.305     2.585     1.076 peak   628 weight  1.00000E+00 volume  5.02844E+05 ppm1      1.250 ppm2      0.756
 ASSI {  655}
   (  segid "   A" and resid 44   and name  HD2#)
   (  segid "   A" and resid 44   and name  HD1#)

      3.865     2.145     0.966 peak   655 weight  1.00000E+00 volume  4.08797E+06 ppm1      1.041 ppm2      0.756
 ASSI {  242}
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 44   and name  HA  ))

      3.932     2.212     0.983 peak   242 weight  1.00000E+00 volume  1.21135E+05 ppm1      8.599 ppm2      4.144
 ASSI {  249}
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 44   and name  HB1 ))

      4.073     2.353     1.018 peak   249 weight  1.00000E+00 volume  1.04028E+05 ppm1      8.597 ppm2      1.252
 ASSI {  253}
   (( segid "   A" and resid 44   and name  HN  ))
   (( segid "   A" and resid 45   and name  HN  ))

      4.017     2.297     1.004 peak   253 weight  1.00000E+00 volume  1.04626E+05 ppm1      8.599 ppm2      8.346
 ASSI {  247}
   (( segid "   A" and resid 44   and name  HN  ))
   (  segid "   A" and resid 46   and name  HB# )

      5.540     3.820     1.385 peak   247 weight  1.00000E+00 volume  5.13646E+04 ppm1      8.598 ppm2      1.500
 ASSI {   17}
   (( segid "   A" and resid 44   and name  HA  ))
   (  segid "   A" and resid 48   and name  HB# )

      6.534     4.814     1.466 peak    17 weight  1.00000E+00 volume  7.78360E+04 ppm1      0.425 ppm2      4.156
 ASSI {  567}
   (  segid "   A" and resid 45   and name  HD1#)
   (  segid "   A" and resid 12   and name  HB# )

      4.011     2.291     1.003 peak   567 weight  1.00000E+00 volume  1.90634E+06 ppm1      0.827 ppm2      1.415
 OR {  567}
   (  segid "   A" and resid 45   and name  HD2#)
   (  segid "   A" and resid 12   and name  HB# )
 ASSI {  564}
   (  segid "   A" and resid 45   and name  HD2#)
   (( segid "   A" and resid 15   and name  HB2 ))

      3.885     2.165     0.971 peak   564 weight  1.00000E+00 volume  9.63494E+05 ppm1      0.824 ppm2      1.943
 OR {  564}
   (  segid "   A" and resid 45   and name  HD1#)
   (( segid "   A" and resid 15   and name  HB2 ))
 ASSI {  562}
   (  segid "   A" and resid 45   and name  HD2#)
   (  segid "   A" and resid 15   and name  HG# )

      4.271     2.551     1.068 peak   562 weight  1.00000E+00 volume  5.30856E+05 ppm1      0.827 ppm2      2.340
 OR {  562}
   (  segid "   A" and resid 45   and name  HD1#)
   (  segid "   A" and resid 15   and name  HG# )
 ASSI { 1259}
   (  segid "   A" and resid 45   and name  HD1#)
   (( segid "   A" and resid 15   and name  HA  ))

      5.254     3.534     1.314 peak  1259 weight  1.00000E+00 volume  1.41385E+05 ppm1      3.859 ppm2      0.819
 OR { 1259}
   (  segid "   A" and resid 45   and name  HD2#)
   (( segid "   A" and resid 15   and name  HA  ))
 ASSI {  563}
   (  segid "   A" and resid 45   and name  HD2#)
   (( segid "   A" and resid 15   and name  HB1 ))

      4.137     2.417     1.034 peak   563 weight  1.00000E+00 volume  6.95328E+05 ppm1      0.827 ppm2      2.057
 OR {  563}
   (  segid "   A" and resid 45   and name  HD1#)
   (( segid "   A" and resid 15   and name  HB1 ))
 ASSI { 1119}
   (( segid "   A" and resid 45   and name  HA  ))
   (  segid "   A" and resid 16   and name  HD1#)

      4.259     2.539     1.065 peak  1119 weight  1.00000E+00 volume  6.04528E+05 ppm1      0.471 ppm2      3.768
 ASSI {  567}
   (( segid "   A" and resid 45   and name  HN  ))
   (( segid "   A" and resid 41   and name  HA  ))

      4.027     2.307     1.007 peak   567 weight  1.00000E+00 volume  8.47628E+04 ppm1      8.356 ppm2      3.762
 ASSI {  679}
   (( segid "   A" and resid 45   and name  HN  ))
   (  segid "   A" and resid 44   and name  HD1#)

      5.388     3.668     1.347 peak   679 weight  1.00000E+00 volume  1.58024E+05 ppm1      0.753 ppm2      8.336
 ASSI {  697}
   (( segid "   A" and resid 45   and name  HN  ))
   (( segid "   A" and resid 44   and name  HA  ))

      4.165     2.445     1.041 peak   697 weight  1.00000E+00 volume  1.99826E+05 ppm1      4.151 ppm2      8.347
 ASSI {  625}
   (( segid "   A" and resid 45   and name  HB1 ))
   (( segid "   A" and resid 44   and name  HB1 ))

      4.588     2.868     1.147 peak   625 weight  1.00000E+00 volume  1.15440E+05 ppm1      1.246 ppm2      1.691
 ASSI {  690}
   (( segid "   A" and resid 45   and name  HN  ))
   (( segid "   A" and resid 44   and name  HB1 ))

      4.640     2.920     1.160 peak   690 weight  1.00000E+00 volume  1.13644E+05 ppm1      1.255 ppm2      8.342
 ASSI {  692}
   (( segid "   A" and resid 45   and name  HN  ))
   (( segid "   A" and resid 44   and name  HB2 ))

      4.675     2.955     1.169 peak   692 weight  1.00000E+00 volume  8.12433E+04 ppm1      1.798 ppm2      8.335
 OR {  692}
   (( segid "   A" and resid 45   and name  HN  ))
   (( segid "   A" and resid 44   and name  HG  ))
 ASSI {  684}
   (( segid "   A" and resid 45   and name  HN  ))
   (  segid "   A" and resid 44   and name  HD2#)

      4.993     3.273     1.248 peak   684 weight  1.00000E+00 volume  2.99578E+05 ppm1      1.041 ppm2      8.344
 ASSI {  568}
   (( segid "   A" and resid 45   and name  HN  ))
   (  segid "   A" and resid 45   and name  HD2#)

      4.107     2.387     1.027 peak   568 weight  1.00000E+00 volume  8.36783E+04 ppm1      8.349 ppm2      0.831
 OR {  568}
   (( segid "   A" and resid 45   and name  HN  ))
   (  segid "   A" and resid 45   and name  HD1#)
 ASSI {  554}
   (( segid "   A" and resid 45   and name  HA  ))
   (( segid "   A" and resid 45   and name  HB1 ))

      4.043     2.323     1.011 peak   554 weight  1.00000E+00 volume  4.29808E+04 ppm1      1.692 ppm2      3.768
 ASSI {  565}
   (( segid "   A" and resid 45   and name  HB1 ))
   (  segid "   A" and resid 45   and name  HD1#)

      3.546     1.826     0.887 peak   565 weight  1.00000E+00 volume  1.29478E+06 ppm1      0.821 ppm2      1.698
 OR {  565}
   (( segid "   A" and resid 45   and name  HB1 ))
   (  segid "   A" and resid 45   and name  HD2#)
 ASSI {  566}
   (( segid "   A" and resid 45   and name  HB2 ))
   (  segid "   A" and resid 45   and name  HD1#)

      3.009     1.289     0.752 peak   566 weight  1.00000E+00 volume  4.06695E+06 ppm1      0.824 ppm2      1.541
 OR {  566}
   (( segid "   A" and resid 45   and name  HB2 ))
   (  segid "   A" and resid 45   and name  HD2#)
 ASSI {  577}
   (( segid "   A" and resid 45   and name  HN  ))
   (( segid "   A" and resid 45   and name  HB2 ))

      4.609     2.889     1.152 peak   577 weight  1.00000E+00 volume  9.74613E+04 ppm1      1.542 ppm2      8.344
 ASSI {  552}
   (( segid "   A" and resid 45   and name  HA  ))
   (( segid "   A" and resid 45   and name  HG  ))

      3.508     1.788     0.877 peak   552 weight  1.00000E+00 volume  6.25198E+05 ppm1      3.772 ppm2      1.547
 OR {  552}
   (( segid "   A" and resid 45   and name  HA  ))
   (( segid "   A" and resid 45   and name  HB2 ))
 ASSI {  553}
   (( segid "   A" and resid 45   and name  HA  ))
   (( segid "   A" and resid 45   and name  HB2 ))

      4.759     3.039     1.190 peak   553 weight  1.00000E+00 volume  1.00316E+05 ppm1      1.539 ppm2      3.772
 ASSI {  549}
   (( segid "   A" and resid 45   and name  HG  ))
   (  segid "   A" and resid 45   and name  HD2#)

      3.515     1.795     0.879 peak   549 weight  1.00000E+00 volume  1.67072E+06 ppm1      1.551 ppm2      0.825
 OR {  549}
   (  segid "   A" and resid 45   and name  HD1#)
   (( segid "   A" and resid 34   and name  HG  ))
 OR {  549}
   (  segid "   A" and resid 34   and name  HD# )
   (( segid "   A" and resid 45   and name  HG  ))
 OR {  549}
   (  segid "   A" and resid 45   and name  HD2#)
   (( segid "   A" and resid 34   and name  HG  ))
 OR {  549}
   (  segid "   A" and resid 34   and name  HD# )
   (( segid "   A" and resid 34   and name  HG  ))
 OR {  549}
   (( segid "   A" and resid 45   and name  HG  ))
   (  segid "   A" and resid 45   and name  HD1#)
 ASSI {  550}
   (( segid "   A" and resid 45   and name  HA  ))
   (( segid "   A" and resid 45   and name  HG  ))

      3.992     2.272     0.998 peak   550 weight  1.00000E+00 volume  2.26560E+05 ppm1      1.544 ppm2      3.768
 ASSI {  558}
   (( segid "   A" and resid 45   and name  HA  ))
   (  segid "   A" and resid 45   and name  HD2#)

      3.552     1.832     0.888 peak   558 weight  1.00000E+00 volume  1.62026E+06 ppm1      0.824 ppm2      3.768
 OR {  558}
   (( segid "   A" and resid 45   and name  HA  ))
   (  segid "   A" and resid 45   and name  HD1#)
 ASSI {  192}
   (( segid "   A" and resid 45   and name  HA  ))
   (( segid "   A" and resid 45   and name  HN  ))

      3.841     2.121     0.960 peak   192 weight  1.00000E+00 volume  9.96001E+04 ppm1      8.334 ppm2      3.763
 ASSI {  368}
   (( segid "   A" and resid 45   and name  HA  ))
   (( segid "   A" and resid 46   and name  HN  ))

      4.140     2.420     1.035 peak   368 weight  1.00000E+00 volume  9.01914E+04 ppm1      7.553 ppm2      3.769
 ASSI { 1279}
   (  segid "   A" and resid 45   and name  HD2#)
   (( segid "   A" and resid 46   and name  HA  ))

      4.530     2.810     1.133 peak  1279 weight  1.00000E+00 volume  3.58282E+05 ppm1      4.003 ppm2      0.826
 OR { 1279}
   (  segid "   A" and resid 45   and name  HD1#)
   (( segid "   A" and resid 46   and name  HA  ))
 ASSI {   11}
   (( segid "   A" and resid 45   and name  HA  ))
   (  segid "   A" and resid 48   and name  HB# )

      4.174     2.454     1.043 peak    11 weight  1.00000E+00 volume  5.08135E+05 ppm1      0.426 ppm2      3.767
 ASSI {   29}
   (( segid "   A" and resid 45   and name  HB1 ))
   (  segid "   A" and resid 48   and name  HB# )

      4.923     3.203     1.231 peak    29 weight  1.00000E+00 volume  2.97153E+05 ppm1      0.425 ppm2      1.679
 ASSI {   30}
   (( segid "   A" and resid 45   and name  HB2 ))
   (  segid "   A" and resid 48   and name  HB# )

      4.735     3.015     1.184 peak    30 weight  1.00000E+00 volume  3.50385E+05 ppm1      0.424 ppm2      1.562
 ASSI {   35}
   (( segid "   A" and resid 45   and name  HA  ))
   (( segid "   A" and resid 48   and name  HN  ))

      4.305     2.585     1.076 peak    35 weight  1.00000E+00 volume  6.98540E+04 ppm1      8.384 ppm2      3.769
 ASSI {  527}
   (  segid "   A" and resid 45   and name  HD1#)
   (( segid "   A" and resid 49   and name  HE1 ))

      4.296     2.576     1.074 peak   527 weight  1.00000E+00 volume  6.68340E+05 ppm1      2.879 ppm2      0.819
 OR {  527}
   (  segid "   A" and resid 45   and name  HD2#)
   (( segid "   A" and resid 49   and name  HE1 ))
 ASSI {  375}
   (( segid "   A" and resid 46   and name  HN  ))
   (  segid "   A" and resid 12   and name  HB# )

      5.030     3.310     1.258 peak   375 weight  1.00000E+00 volume  7.98538E+04 ppm1      7.554 ppm2      1.421
 ASSI {  377}
   (( segid "   A" and resid 46   and name  HN  ))
   (  segid "   A" and resid 42   and name  HB# )

      4.718     2.998     1.180 peak   377 weight  1.00000E+00 volume  7.53881E+04 ppm1      7.556 ppm2      1.387
 ASSI {   78}
   (  segid "   A" and resid 46   and name  HB# )
   (  segid "   A" and resid 43   and name  HB# )

      4.495     2.775     1.124 peak    78 weight  1.00000E+00 volume  5.63816E+05 ppm1      1.497 ppm2      2.848
 ASSI {  707}
   (  segid "   A" and resid 46   and name  HB# )
   (( segid "   A" and resid 43   and name  HA  ))

      4.171     2.451     1.043 peak   707 weight  1.00000E+00 volume  5.43629E+05 ppm1      4.472 ppm2      1.497
 ASSI {  365}
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 43   and name  HA  ))

      4.085     2.365     1.021 peak   365 weight  1.00000E+00 volume  1.07791E+05 ppm1      7.554 ppm2      4.464
 ASSI {  370}
   (( segid "   A" and resid 46   and name  HN  ))
   (  segid "   A" and resid 43   and name  HB# )

      4.817     3.097     1.204 peak   370 weight  1.00000E+00 volume  5.04614E+04 ppm1      7.557 ppm2      2.840
 ASSI {  366}
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 44   and name  HA  ))

      4.675     2.955     1.169 peak   366 weight  1.00000E+00 volume  4.76779E+04 ppm1      7.554 ppm2      4.140
 ASSI {   77}
   (  segid "   A" and resid 46   and name  HB# )
   (  segid "   A" and resid 45   and name  HD1#)

      5.383     3.663     1.346 peak    77 weight  1.00000E+00 volume  5.46094E+05 ppm1      1.497 ppm2      0.821
 OR {   77}
   (  segid "   A" and resid 46   and name  HB# )
   (  segid "   A" and resid 45   and name  HD2#)
 ASSI { 1248}
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 45   and name  HG  ))

      4.532     2.812     1.133 peak  1248 weight  1.00000E+00 volume  1.38472E+05 ppm1      1.548 ppm2      7.555
 ASSI {  574}
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 45   and name  HB2 ))

      4.998     3.278     1.250 peak   574 weight  1.00000E+00 volume  7.06307E+04 ppm1      1.542 ppm2      7.563
 ASSI { 1282}
   (  segid "   A" and resid 46   and name  HB# )
   (( segid "   A" and resid 45   and name  HN  ))

      4.535     2.815     1.134 peak  1282 weight  1.00000E+00 volume  5.47363E+05 ppm1      1.498 ppm2      8.346
 ASSI {  379}
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 45   and name  HN  ))

      3.798     2.078     0.950 peak   379 weight  1.00000E+00 volume  1.31953E+05 ppm1      7.553 ppm2      8.349
 ASSI {  372}
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 45   and name  HB1 ))

      4.264     2.544     1.066 peak   372 weight  1.00000E+00 volume  5.16430E+04 ppm1      7.554 ppm2      1.743
 ASSI {  378}
   (( segid "   A" and resid 46   and name  HN  ))
   (  segid "   A" and resid 45   and name  HD1#)

      4.586     2.866     1.147 peak   378 weight  1.00000E+00 volume  1.66255E+05 ppm1      7.553 ppm2      0.824
 OR {  378}
   (( segid "   A" and resid 46   and name  HN  ))
   (  segid "   A" and resid 45   and name  HD2#)
 ASSI { 1273}
   (  segid "   A" and resid 46   and name  HB# )
   (( segid "   A" and resid 46   and name  HA  ))

      3.240     1.520     0.810 peak  1273 weight  1.00000E+00 volume  4.08664E+06 ppm1      1.497 ppm2      4.003
 ASSI {  374}
   (  segid "   A" and resid 46   and name  HB# )
   (( segid "   A" and resid 46   and name  HN  ))

      3.425     1.705     0.856 peak   374 weight  1.00000E+00 volume  8.49828E+05 ppm1      7.555 ppm2      1.497
 ASSI {  367}
   (( segid "   A" and resid 46   and name  HN  ))
   (( segid "   A" and resid 46   and name  HA  ))

      3.376     1.656     0.844 peak   367 weight  1.00000E+00 volume  2.82237E+05 ppm1      7.554 ppm2      4.001
 ASSI {  601}
   (  segid "   A" and resid 46   and name  HB# )
   (( segid "   A" and resid 47   and name  HA  ))

      4.671     2.951     1.168 peak   601 weight  1.00000E+00 volume  4.04187E+05 ppm1      3.974 ppm2      1.500
 ASSI {   79}
   (  segid "   A" and resid 46   and name  HB# )
   (( segid "   A" and resid 47   and name  HG1 ))

      4.958     3.238     1.239 peak    79 weight  1.00000E+00 volume  3.43518E+05 ppm1      1.497 ppm2      2.416
 ASSI {   80}
   (  segid "   A" and resid 46   and name  HB# )
   (  segid "   A" and resid 47   and name  HB# )

      4.454     2.734     1.114 peak    80 weight  1.00000E+00 volume  6.55294E+05 ppm1      1.497 ppm2      2.231
 ASSI {   60}
   (  segid "   A" and resid 46   and name  HB# )
   (  segid "   A" and resid 48   and name  HB# )

      7.138     5.418     0.862 peak    60 weight  1.00000E+00 volume  1.43292E+05 ppm1      1.497 ppm2      0.431
 ASSI {   27}
   (  segid "   A" and resid 46   and name  HB# )
   (( segid "   A" and resid 48   and name  HN  ))

      5.034     3.314     1.258 peak    27 weight  1.00000E+00 volume  8.22524E+04 ppm1      8.388 ppm2      1.497
 ASSI { 1275}
   (  segid "   A" and resid 46   and name  HB# )
   (( segid "   A" and resid 49   and name  HB1 ))

      4.493     2.773     1.123 peak  1275 weight  1.00000E+00 volume  5.71451E+05 ppm1      1.497 ppm2      1.898
 ASSI {  603}
   (  segid "   A" and resid 47   and name  HB# )
   (( segid "   A" and resid 30   and name  HZ  ))

      3.926     2.206     0.981 peak   603 weight  1.00000E+00 volume  3.36316E+05 ppm1      2.232 ppm2      7.113
 ASSI {  602}
   (  segid "   A" and resid 47   and name  HB# )
   (  segid "   A" and resid 30   and name  HE# )

      3.971     2.251     0.993 peak   602 weight  1.00000E+00 volume  5.87523E+05 ppm1      2.233 ppm2      7.243
 ASSI {  604}
   (( segid "   A" and resid 47   and name  HG2 ))
   (  segid "   A" and resid 30   and name  HE# )

      4.462     2.742     1.115 peak   604 weight  1.00000E+00 volume  3.52384E+05 ppm1      2.454 ppm2      7.243
 ASSI {  605}
   (( segid "   A" and resid 47   and name  HG1 ))
   (  segid "   A" and resid 30   and name  HE# )

      4.541     2.821     1.135 peak   605 weight  1.00000E+00 volume  2.98113E+05 ppm1      2.404 ppm2      7.242
 ASSI {  606}
   (  segid "   A" and resid 47   and name  HG# )
   (( segid "   A" and resid 30   and name  HZ  ))

      4.015     2.295     1.004 peak   606 weight  1.00000E+00 volume  3.13280E+05 ppm1      2.455 ppm2      7.109
 ASSI {  387}
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 43   and name  HA  ))

      4.380     2.660     1.095 peak   387 weight  1.00000E+00 volume  5.80571E+04 ppm1      8.091 ppm2      4.467
 ASSI {  583}
   (( segid "   A" and resid 47   and name  HG1 ))
   (( segid "   A" and resid 44   and name  HA  ))

      3.952     2.232     0.988 peak   583 weight  1.00000E+00 volume  1.96793E+05 ppm1      2.403 ppm2      4.141
 ASSI {  651}
   (( segid "   A" and resid 47   and name  HG1 ))
   (  segid "   A" and resid 44   and name  HD2#)

      5.167     3.447     1.292 peak   651 weight  1.00000E+00 volume  2.90731E+05 ppm1      1.041 ppm2      2.408
 ASSI {  582}
   (( segid "   A" and resid 47   and name  HG2 ))
   (( segid "   A" and resid 44   and name  HA  ))

      4.197     2.477     1.049 peak   582 weight  1.00000E+00 volume  2.50272E+05 ppm1      2.454 ppm2      4.143
 ASSI {  652}
   (  segid "   A" and resid 47   and name  HB# )
   (  segid "   A" and resid 44   and name  HD2#)

      4.445     2.725     1.111 peak   652 weight  1.00000E+00 volume  6.78130E+05 ppm1      1.041 ppm2      2.233
 OR {  652}
   (( segid "   A" and resid 40   and name  HG1 ))
   (  segid "   A" and resid 44   and name  HD2#)
 ASSI {  596}
   (  segid "   A" and resid 47   and name  HB# )
   (( segid "   A" and resid 44   and name  HB2 ))

      4.077     2.357     1.019 peak   596 weight  1.00000E+00 volume  2.88512E+05 ppm1      2.235 ppm2      1.820
 ASSI {  598}
   (  segid "   A" and resid 47   and name  HB# )
   (  segid "   A" and resid 44   and name  HD2#)

      4.608     2.888     1.152 peak   598 weight  1.00000E+00 volume  3.72579E+05 ppm1      2.233 ppm2      1.035
 ASSI {  592}
   (  segid "   A" and resid 47   and name  HB# )
   (( segid "   A" and resid 44   and name  HA  ))

      3.472     1.752     0.868 peak   592 weight  1.00000E+00 volume  5.82051E+05 ppm1      2.232 ppm2      4.144
 ASSI {  663}
   (  segid "   A" and resid 47   and name  HB# )
   (  segid "   A" and resid 44   and name  HD1#)

      5.906     4.186     1.477 peak   663 weight  1.00000E+00 volume  1.50492E+05 ppm1      0.751 ppm2      2.234
 ASSI {  386}
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 44   and name  HA  ))

      3.783     2.063     0.946 peak   386 weight  1.00000E+00 volume  1.33944E+05 ppm1      8.093 ppm2      4.144
 ASSI {  396}
   (( segid "   A" and resid 47   and name  HN  ))
   (  segid "   A" and resid 44   and name  HD2#)

      6.060     4.340     1.515 peak   396 weight  1.00000E+00 volume  5.83939E+04 ppm1      8.092 ppm2      1.039
 ASSI {  388}
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 45   and name  HA  ))

      4.723     3.003     1.181 peak   388 weight  1.00000E+00 volume  4.19533E+04 ppm1      8.089 ppm2      3.767
 ASSI { 1288}
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 46   and name  HA  ))

      3.833     2.113     0.958 peak  1288 weight  1.00000E+00 volume  3.41297E+05 ppm1      4.001 ppm2      8.094
 ASSI {  395}
   (( segid "   A" and resid 47   and name  HN  ))
   (  segid "   A" and resid 46   and name  HB# )

      3.801     2.081     0.950 peak   395 weight  1.00000E+00 volume  5.30193E+05 ppm1      8.093 ppm2      1.496
 ASSI {  380}
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 46   and name  HN  ))

      3.452     1.732     0.863 peak   380 weight  1.00000E+00 volume  2.40105E+05 ppm1      7.556 ppm2      8.088
 ASSI {  584}
   (  segid "   A" and resid 47   and name  HB# )
   (  segid "   A" and resid 47   and name  HG# )

      2.784     1.064     0.696 peak   584 weight  1.00000E+00 volume  2.93152E+06 ppm1      2.454 ppm2      2.233
 ASSI {  579}
   (  segid "   A" and resid 47   and name  HB# )
   (( segid "   A" and resid 47   and name  HA  ))

      2.930     1.210     0.733 peak   579 weight  1.00000E+00 volume  1.92843E+06 ppm1      3.976 ppm2      2.235
 ASSI {  613}
   (( segid "   A" and resid 47   and name  HN  ))
   (  segid "   A" and resid 47   and name  HG# )

      3.539     1.819     0.885 peak   613 weight  1.00000E+00 volume  6.90344E+05 ppm1      2.454 ppm2      8.091
 ASSI {  578}
   (  segid "   A" and resid 47   and name  HG# )
   (( segid "   A" and resid 47   and name  HA  ))

      2.993     1.273     0.748 peak   578 weight  1.00000E+00 volume  1.50964E+06 ppm1      3.977 ppm2      2.407
 ASSI {  385}
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 47   and name  HA  ))

      3.250     1.530     0.813 peak   385 weight  1.00000E+00 volume  3.60936E+05 ppm1      8.093 ppm2      3.979
 ASSI {  390}
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 47   and name  HG1 ))

      3.526     1.806     0.881 peak   390 weight  1.00000E+00 volume  2.48535E+05 ppm1      8.093 ppm2      2.402
 ASSI {  391}
   (( segid "   A" and resid 47   and name  HN  ))
   (  segid "   A" and resid 47   and name  HB# )

      2.986     1.266     0.747 peak   391 weight  1.00000E+00 volume  6.99952E+05 ppm1      8.093 ppm2      2.232
 ASSI {  389}
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 47   and name  HG2 ))

      3.593     1.873     0.898 peak   389 weight  1.00000E+00 volume  2.15086E+05 ppm1      8.093 ppm2      2.446
 ASSI {   10}
   (( segid "   A" and resid 47   and name  HA  ))
   (  segid "   A" and resid 48   and name  HB# )

      5.563     3.843     1.391 peak    10 weight  1.00000E+00 volume  1.44803E+05 ppm1      0.426 ppm2      3.985
 ASSI {   26}
   (  segid "   A" and resid 47   and name  HB# )
   (  segid "   A" and resid 48   and name  HB# )

      4.925     3.205     1.231 peak    26 weight  1.00000E+00 volume  1.86784E+05 ppm1      0.426 ppm2      2.237
 ASSI {  398}
   (( segid "   A" and resid 47   and name  HN  ))
   (  segid "   A" and resid 48   and name  HB# )

      5.101     3.381     1.275 peak   398 weight  1.00000E+00 volume  8.40847E+04 ppm1      8.093 ppm2      0.427
 ASSI {   30}
   (  segid "   A" and resid 47   and name  HB# )
   (( segid "   A" and resid 48   and name  HN  ))

      3.373     1.653     0.843 peak    30 weight  1.00000E+00 volume  2.95783E+05 ppm1      8.386 ppm2      2.233
 ASSI {   67}
   (  segid "   A" and resid 47   and name  HB# )
   (( segid "   A" and resid 48   and name  HA  ))

      4.651     2.931     1.163 peak    67 weight  1.00000E+00 volume  1.14023E+05 ppm1      3.389 ppm2      2.238
 ASSI {   36}
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 48   and name  HN  ))

      3.408     1.688     0.852 peak    36 weight  1.00000E+00 volume  2.64394E+05 ppm1      8.385 ppm2      8.090
 ASSI {  595}
   (  segid "   A" and resid 47   and name  HB# )
   (  segid "   A" and resid 50   and name  HB# )

      3.834     2.114     0.958 peak   595 weight  1.00000E+00 volume  3.69990E+05 ppm1      2.234 ppm2      1.910
 ASSI {  468}
   (( segid "   A" and resid 47   and name  HA  ))
   (  segid "   A" and resid 50   and name  HE# )

      3.887     2.167     0.972 peak   468 weight  1.00000E+00 volume  4.10713E+05 ppm1      2.925 ppm2      3.979
 ASSI {  464}
   (( segid "   A" and resid 47   and name  HA  ))
   (  segid "   A" and resid 50   and name  HD# )

      3.541     1.821     0.885 peak   464 weight  1.00000E+00 volume  6.01968E+05 ppm1      1.679 ppm2      3.972
 ASSI { 1553}
   (  segid "   A" and resid 47   and name  HB# )
   (( segid "   A" and resid 50   and name  HD1 ))

      4.810     3.090     1.202 peak  1553 weight  1.00000E+00 volume  9.70310E+04 ppm1      2.233 ppm2      1.681
 ASSI {  400}
   (( segid "   A" and resid 47   and name  HN  ))
   (( segid "   A" and resid 50   and name  HN  ))

      4.512     2.792     1.128 peak   400 weight  1.00000E+00 volume  5.06265E+04 ppm1      8.098 ppm2      7.764
 ASSI {  392}
   (( segid "   A" and resid 47   and name  HN  ))
   (  segid "   A" and resid 50   and name  HB# )

      4.192     2.472     1.048 peak   392 weight  1.00000E+00 volume  7.76284E+04 ppm1      8.092 ppm2      1.901
 ASSI { 1554}
   (  segid "   A" and resid 47   and name  HB# )
   (  segid "   A" and resid 51   and name  HD# )

      5.421     3.701     1.355 peak  1554 weight  1.00000E+00 volume  1.33346E+05 ppm1      2.233 ppm2      0.973
 ASSI { 1031}
   (( segid "   A" and resid 48   and name  HA  ))
   (( segid "   A" and resid 19   and name  HG  ))

      4.685     2.965     1.171 peak  1031 weight  1.00000E+00 volume  1.08773E+05 ppm1      2.315 ppm2      3.407
 OR { 1031}
   (( segid "   A" and resid 16   and name  HA  ))
   (( segid "   A" and resid 19   and name  HG  ))
 ASSI { 1036}
   (  segid "   A" and resid 48   and name  HB# )
   (( segid "   A" and resid 19   and name  HG  ))

      6.273     4.553     1.568 peak  1036 weight  1.00000E+00 volume  5.47539E+04 ppm1      2.318 ppm2      0.456
 ASSI {   61}
   (( segid "   A" and resid 48   and name  HA  ))
   (  segid "   A" and resid 30   and name  HE# )

      4.508     2.788     1.127 peak    61 weight  1.00000E+00 volume  2.83991E+05 ppm1      3.391 ppm2      7.240
 ASSI {   62}
   (( segid "   A" and resid 48   and name  HA  ))
   (( segid "   A" and resid 30   and name  HZ  ))

      3.999     2.279     1.000 peak    62 weight  1.00000E+00 volume  3.03580E+05 ppm1      3.390 ppm2      7.110
 ASSI {    6}
   (  segid "   A" and resid 48   and name  HB# )
   (( segid "   A" and resid 30   and name  HZ  ))

      5.306     3.586     1.326 peak     6 weight  1.00000E+00 volume  1.87869E+05 ppm1      0.427 ppm2      7.116
 ASSI {   41}
   (( segid "   A" and resid 48   and name  HN  ))
   (  segid "   A" and resid 30   and name  HD# )

      5.219     3.499     1.305 peak    41 weight  1.00000E+00 volume  4.02858E+04 ppm1      8.380 ppm2      7.212
 ASSI {   33}
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 44   and name  HA  ))

      4.558     2.838     1.139 peak    33 weight  1.00000E+00 volume  4.92614E+04 ppm1      8.390 ppm2      4.139
 ASSI {    7}
   (  segid "   A" and resid 48   and name  HB# )
   (  segid "   A" and resid 45   and name  HD1#)

      4.627     2.907     1.157 peak     7 weight  1.00000E+00 volume  1.14819E+06 ppm1      0.426 ppm2      0.811
 OR {    7}
   (  segid "   A" and resid 48   and name  HB# )
   (  segid "   A" and resid 45   and name  HD2#)
 ASSI {   26}
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 45   and name  HG  ))

      4.421     2.701     1.105 peak    26 weight  1.00000E+00 volume  5.96192E+04 ppm1      8.388 ppm2      1.563
 OR {   26}
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 45   and name  HB2 ))
 ASSI {   39}
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 46   and name  HN  ))

      4.472     2.752     1.118 peak    39 weight  1.00000E+00 volume  5.88745E+04 ppm1      8.382 ppm2      7.550
 ASSI {   28}
   (( segid "   A" and resid 48   and name  HN  ))
   (  segid "   A" and resid 47   and name  HG# )

      4.332     2.612     1.083 peak    28 weight  1.00000E+00 volume  3.79382E+04 ppm1      8.383 ppm2      2.446
 ASSI {   34}
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 47   and name  HA  ))

      3.956     2.236     0.989 peak    34 weight  1.00000E+00 volume  1.01619E+05 ppm1      8.387 ppm2      3.979
 ASSI {   23}
   (( segid "   A" and resid 48   and name  HN  ))
   (  segid "   A" and resid 48   and name  HB# )

      3.829     2.109     0.957 peak    23 weight  1.00000E+00 volume  4.19929E+05 ppm1      8.386 ppm2      0.426
 ASSI {    9}
   (( segid "   A" and resid 48   and name  HA  ))
   (  segid "   A" and resid 48   and name  HB# )

      3.850     2.130     0.962 peak     9 weight  1.00000E+00 volume  1.14048E+06 ppm1      0.426 ppm2      3.392
 ASSI {   24}
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 48   and name  HA  ))

      3.757     2.037     0.939 peak    24 weight  1.00000E+00 volume  1.60138E+05 ppm1      8.385 ppm2      3.388
 ASSI {   31}
   (( segid "   A" and resid 48   and name  HN  ))
   (( segid "   A" and resid 49   and name  HB1 ))

      4.524     2.804     1.131 peak    31 weight  1.00000E+00 volume  5.41430E+04 ppm1      8.390 ppm2      1.899
 OR {   31}
   (( segid "   A" and resid 48   and name  HN  ))
   (  segid "   A" and resid 50   and name  HB# )
 ASSI {  385}
   (( segid "   A" and resid 48   and name  HA  ))
   (  segid "   A" and resid 51   and name  HD# )

      5.362     3.642     1.341 peak   385 weight  1.00000E+00 volume  1.72633E+05 ppm1      0.946 ppm2      3.390
 ASSI {   69}
   (( segid "   A" and resid 48   and name  HA  ))
   (( segid "   A" and resid 51   and name  HB2 ))

      4.037     2.317     1.009 peak    69 weight  1.00000E+00 volume  2.82254E+05 ppm1      3.391 ppm2      1.796
 ASSI {   70}
   (( segid "   A" and resid 48   and name  HA  ))
   (( segid "   A" and resid 51   and name  HB1 ))

      4.303     2.583     1.076 peak    70 weight  1.00000E+00 volume  2.25018E+05 ppm1      3.392 ppm2      1.645
 ASSI {   72}
   (( segid "   A" and resid 48   and name  HA  ))
   (  segid "   A" and resid 51   and name  HD1#)

      4.753     3.033     1.188 peak    72 weight  1.00000E+00 volume  3.19997E+05 ppm1      3.391 ppm2      0.968
 ASSI { 1271}
   (  segid "   A" and resid 48   and name  HB# )
   (  segid "   A" and resid 51   and name  HD1#)

      6.588     4.868     1.412 peak  1271 weight  1.00000E+00 volume  1.80727E+05 ppm1      0.983 ppm2      0.432
 ASSI {  489}
   (( segid "   A" and resid 49   and name  HA  ))
   (  segid "   A" and resid 19   and name  HD1#)

      4.596     2.876     1.149 peak   489 weight  1.00000E+00 volume  3.55482E+05 ppm1      3.713 ppm2      0.788
 ASSI {  490}
   (( segid "   A" and resid 49   and name  HA  ))
   (  segid "   A" and resid 19   and name  HD2#)

      4.638     2.918     1.160 peak   490 weight  1.00000E+00 volume  2.75388E+05 ppm1      3.712 ppm2      0.665
 ASSI { 1300}
   (( segid "   A" and resid 49   and name  HG2 ))
   (( segid "   A" and resid 46   and name  HA  ))

      5.074     3.354     1.269 peak  1300 weight  1.00000E+00 volume  7.67727E+04 ppm1      1.291 ppm2      4.010
 ASSI { 1302}
   (( segid "   A" and resid 49   and name  HD2 ))
   (( segid "   A" and resid 46   and name  HA  ))

      4.459     2.739     1.115 peak  1302 weight  1.00000E+00 volume  1.39650E+05 ppm1      1.618 ppm2      3.999
 ASSI {  539}
   (( segid "   A" and resid 49   and name  HB2 ))
   (( segid "   A" and resid 46   and name  HA  ))

      3.526     1.806     0.882 peak   539 weight  1.00000E+00 volume  2.65259E+05 ppm1      1.759 ppm2      4.001
 ASSI { 1278}
   (( segid "   A" and resid 49   and name  HB1 ))
   (( segid "   A" and resid 46   and name  HA  ))

      3.360     1.640     0.840 peak  1278 weight  1.00000E+00 volume  7.23438E+05 ppm1      4.001 ppm2      1.900
 ASSI { 1301}
   (( segid "   A" and resid 49   and name  HD1 ))
   (( segid "   A" and resid 46   and name  HA  ))

      4.575     2.855     1.144 peak  1301 weight  1.00000E+00 volume  1.22900E+05 ppm1      1.566 ppm2      4.003
 ASSI {   24}
   (( segid "   A" and resid 49   and name  HN  ))
   (  segid "   A" and resid 48   and name  HB# )

      4.663     2.943     1.166 peak    24 weight  1.00000E+00 volume  3.74770E+05 ppm1      0.423 ppm2      8.265
 ASSI {   27}
   (( segid "   A" and resid 49   and name  HB1 ))
   (  segid "   A" and resid 48   and name  HB# )

      5.674     3.954     1.419 peak    27 weight  1.00000E+00 volume  1.27317E+05 ppm1      0.426 ppm2      1.898
 ASSI {   43}
   (( segid "   A" and resid 49   and name  HN  ))
   (( segid "   A" and resid 48   and name  HN  ))

      3.923     2.203     0.981 peak    43 weight  1.00000E+00 volume  9.79835E+04 ppm1      8.386 ppm2      8.292
 ASSI {  546}
   (( segid "   A" and resid 49   and name  HN  ))
   (( segid "   A" and resid 49   and name  HD1 ))

      4.409     2.689     1.102 peak   546 weight  1.00000E+00 volume  1.89613E+05 ppm1      1.567 ppm2      8.270
 ASSI {  508}
   (( segid "   A" and resid 49   and name  HG2 ))
   (( segid "   A" and resid 49   and name  HB2 ))

      3.466     1.746     0.866 peak   508 weight  1.00000E+00 volume  4.39299E+05 ppm1      1.292 ppm2      1.748
 ASSI {  514}
   (( segid "   A" and resid 49   and name  HA  ))
   (( segid "   A" and resid 49   and name  HD2 ))

      4.055     2.335     1.014 peak   514 weight  1.00000E+00 volume  2.02024E+05 ppm1      1.620 ppm2      3.710
 ASSI {  526}
   (( segid "   A" and resid 49   and name  HD2 ))
   (( segid "   A" and resid 49   and name  HE1 ))

      3.626     1.906     0.907 peak   526 weight  1.00000E+00 volume  4.93092E+05 ppm1      1.620 ppm2      2.874
 ASSI {  542}
   (( segid "   A" and resid 49   and name  HN  ))
   (( segid "   A" and resid 49   and name  HB1 ))

      3.843     2.123     0.961 peak   542 weight  1.00000E+00 volume  3.64046E+05 ppm1      1.902 ppm2      8.273
 ASSI {  502}
   (( segid "   A" and resid 49   and name  HA  ))
   (( segid "   A" and resid 49   and name  HG1 ))

      3.983     2.263     0.996 peak   502 weight  1.00000E+00 volume  2.75485E+05 ppm1      1.572 ppm2      3.710
 ASSI {  504}
   (( segid "   A" and resid 49   and name  HG1 ))
   (( segid "   A" and resid 49   and name  HE2 ))

      4.187     2.467     1.047 peak   504 weight  1.00000E+00 volume  1.96305E+05 ppm1      1.566 ppm2      2.777
 ASSI {  507}
   (( segid "   A" and resid 49   and name  HG1 ))
   (( segid "   A" and resid 49   and name  HG2 ))

      2.848     1.128     0.712 peak   507 weight  1.00000E+00 volume  1.01334E+06 ppm1      1.561 ppm2      1.291
 ASSI {  497}
   (( segid "   A" and resid 49   and name  HG2 ))
   (( segid "   A" and resid 49   and name  HB1 ))

      3.612     1.892     0.903 peak   497 weight  1.00000E+00 volume  4.16791E+05 ppm1      1.908 ppm2      1.296
 ASSI {  531}
   (( segid "   A" and resid 49   and name  HG1 ))
   (( segid "   A" and resid 49   and name  HE2 ))

      3.075     1.355     0.769 peak   531 weight  1.00000E+00 volume  1.48402E+06 ppm1      2.771 ppm2      1.573
 OR {  531}
   (( segid "   A" and resid 49   and name  HD1 ))
   (( segid "   A" and resid 49   and name  HE2 ))
 ASSI {  492}
   (( segid "   A" and resid 49   and name  HN  ))
   (( segid "   A" and resid 49   and name  HA  ))

      4.085     2.365     1.021 peak   492 weight  1.00000E+00 volume  2.13535E+05 ppm1      3.714 ppm2      8.267
 ASSI {  533}
   (( segid "   A" and resid 49   and name  HB2 ))
   (( segid "   A" and resid 49   and name  HE1 ))

      4.222     2.502     1.056 peak   533 weight  1.00000E+00 volume  2.41566E+05 ppm1      2.879 ppm2      1.752
 ASSI {  543}
   (( segid "   A" and resid 49   and name  HN  ))
   (( segid "   A" and resid 49   and name  HG2 ))

      4.254     2.534     1.064 peak   543 weight  1.00000E+00 volume  1.98988E+05 ppm1      1.293 ppm2      8.272
 ASSI {  503}
   (( segid "   A" and resid 49   and name  HG1 ))
   (( segid "   A" and resid 49   and name  HE1 ))

      4.280     2.560     1.070 peak   503 weight  1.00000E+00 volume  1.50589E+05 ppm1      1.561 ppm2      2.880
 ASSI {  501}
   (( segid "   A" and resid 49   and name  HG2 ))
   (( segid "   A" and resid 49   and name  HE2 ))

      4.041     2.321     1.010 peak   501 weight  1.00000E+00 volume  1.66538E+05 ppm1      1.295 ppm2      2.773
 ASSI {  515}
   (( segid "   A" and resid 49   and name  HA  ))
   (  segid "   A" and resid 49   and name  HD# )

      4.181     2.461     1.045 peak   515 weight  1.00000E+00 volume  2.35498E+05 ppm1      1.566 ppm2      3.709
 ASSI {  485}
   (( segid "   A" and resid 49   and name  HA  ))
   (( segid "   A" and resid 49   and name  HB1 ))

      3.417     1.697     0.854 peak   485 weight  1.00000E+00 volume  4.72780E+05 ppm1      3.713 ppm2      1.898
 ASSI {  534}
   (( segid "   A" and resid 49   and name  HB2 ))
   (( segid "   A" and resid 49   and name  HE2 ))

      4.305     2.585     1.076 peak   534 weight  1.00000E+00 volume  2.33286E+05 ppm1      2.779 ppm2      1.758
 ASSI {  516}
   (( segid "   A" and resid 49   and name  HD1 ))
   (( segid "   A" and resid 49   and name  HE1 ))

      3.663     1.943     0.916 peak   516 weight  1.00000E+00 volume  4.89059E+05 ppm1      1.562 ppm2      2.879
 ASSI {  446}
   (( segid "   A" and resid 49   and name  HB1 ))
   (( segid "   A" and resid 49   and name  HE2 ))

      4.244     2.524     1.061 peak   446 weight  1.00000E+00 volume  1.86275E+05 ppm1      1.907 ppm2      2.766
 ASSI {  544}
   (( segid "   A" and resid 49   and name  HN  ))
   (( segid "   A" and resid 49   and name  HG1 ))

      3.969     2.249     0.992 peak   544 weight  1.00000E+00 volume  2.32381E+05 ppm1      1.569 ppm2      8.280
 ASSI {  487}
   (( segid "   A" and resid 49   and name  HA  ))
   (( segid "   A" and resid 49   and name  HG1 ))

      3.636     1.916     0.909 peak   487 weight  1.00000E+00 volume  5.40452E+05 ppm1      3.713 ppm2      1.574
 OR {  487}
   (( segid "   A" and resid 49   and name  HA  ))
   (( segid "   A" and resid 49   and name  HD1 ))
 ASSI {  521}
   (( segid "   A" and resid 49   and name  HD1 ))
   (( segid "   A" and resid 49   and name  HB1 ))

      3.561     1.841     0.890 peak   521 weight  1.00000E+00 volume  5.10838E+05 ppm1      1.562 ppm2      1.896
 ASSI {  488}
   (( segid "   A" and resid 49   and name  HA  ))
   (( segid "   A" and resid 49   and name  HG2 ))

      3.883     2.163     0.971 peak   488 weight  1.00000E+00 volume  3.71851E+05 ppm1      3.713 ppm2      1.293
 ASSI {  506}
   (( segid "   A" and resid 49   and name  HG1 ))
   (( segid "   A" and resid 49   and name  HB1 ))

      3.347     1.627     0.837 peak   506 weight  1.00000E+00 volume  5.01858E+05 ppm1      1.566 ppm2      1.901
 ASSI {  523}
   (( segid "   A" and resid 49   and name  HD2 ))
   (( segid "   A" and resid 49   and name  HG2 ))

      2.998     1.278     0.749 peak   523 weight  1.00000E+00 volume  1.33992E+06 ppm1      1.625 ppm2      1.296
 ASSI {  520}
   (( segid "   A" and resid 49   and name  HD2 ))
   (( segid "   A" and resid 49   and name  HE2 ))

      3.639     1.919     0.910 peak   520 weight  1.00000E+00 volume  5.39883E+05 ppm1      1.620 ppm2      2.777
 ASSI {  500}
   (( segid "   A" and resid 49   and name  HG2 ))
   (( segid "   A" and resid 49   and name  HE1 ))

      3.868     2.148     0.967 peak   500 weight  1.00000E+00 volume  2.03411E+05 ppm1      1.293 ppm2      2.878
 ASSI {  545}
   (( segid "   A" and resid 49   and name  HN  ))
   (( segid "   A" and resid 49   and name  HD2 ))

      4.424     2.704     1.106 peak   545 weight  1.00000E+00 volume  1.32369E+05 ppm1      1.618 ppm2      8.273
 ASSI {  517}
   (( segid "   A" and resid 49   and name  HD1 ))
   (( segid "   A" and resid 49   and name  HE2 ))

      3.646     1.926     0.911 peak   517 weight  1.00000E+00 volume  5.38459E+05 ppm1      1.562 ppm2      2.774
 ASSI {  536}
   (( segid "   A" and resid 49   and name  HB1 ))
   (( segid "   A" and resid 49   and name  HE1 ))

      4.125     2.405     1.031 peak   536 weight  1.00000E+00 volume  2.61636E+05 ppm1      2.876 ppm2      1.901
 ASSI {  522}
   (( segid "   A" and resid 49   and name  HD2 ))
   (( segid "   A" and resid 49   and name  HB1 ))

      3.455     1.735     0.864 peak   522 weight  1.00000E+00 volume  5.64995E+05 ppm1      1.620 ppm2      1.891
 ASSI {  532}
   (( segid "   A" and resid 49   and name  HD1 ))
   (( segid "   A" and resid 49   and name  HE1 ))

      3.055     1.335     0.764 peak   532 weight  1.00000E+00 volume  1.53162E+06 ppm1      2.881 ppm2      1.563
 OR {  532}
   (( segid "   A" and resid 49   and name  HG1 ))
   (( segid "   A" and resid 49   and name  HE1 ))
 ASSI {  525}
   (  segid "   A" and resid 49   and name  HD# )
   (( segid "   A" and resid 49   and name  HB2 ))

      3.360     1.640     0.840 peak   525 weight  1.00000E+00 volume  6.29656E+05 ppm1      1.563 ppm2      1.752
 ASSI {  540}
   (( segid "   A" and resid 49   and name  HE1 ))
   (( segid "   A" and resid 49   and name  HE2 ))

      2.439     0.719     0.610 peak   540 weight  1.00000E+00 volume  5.54739E+06 ppm1      2.771 ppm2      2.880
 ASSI {  524}
   (  segid "   A" and resid 49   and name  HD# )
   (( segid "   A" and resid 49   and name  HG2 ))

      3.242     1.522     0.811 peak   524 weight  1.00000E+00 volume  1.02106E+06 ppm1      1.571 ppm2      1.291
 ASSI {  486}
   (( segid "   A" and resid 49   and name  HA  ))
   (( segid "   A" and resid 49   and name  HB2 ))

      3.523     1.803     0.881 peak   486 weight  1.00000E+00 volume  5.82876E+05 ppm1      3.715 ppm2      1.752
 ASSI {  100}
   (( segid "   A" and resid 49   and name  HA  ))
   (( segid "   A" and resid 53   and name  HN  ))

      4.493     2.773     1.123 peak   100 weight  1.00000E+00 volume  5.50778E+04 ppm1      8.070 ppm2      3.709
 ASSI { 1285}
   (( segid "   A" and resid 50   and name  HN  ))
   (  segid "   A" and resid 46   and name  HB# )

      5.415     3.695     1.354 peak  1285 weight  1.00000E+00 volume  1.91342E+05 ppm1      1.498 ppm2      7.749
 ASSI { 1289}
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 46   and name  HA  ))

      3.622     1.902     0.906 peak  1289 weight  1.00000E+00 volume  4.02765E+05 ppm1      4.003 ppm2      7.777
 ASSI {  455}
   (( segid "   A" and resid 50   and name  HG2 ))
   (( segid "   A" and resid 47   and name  HA  ))

      4.130     2.410     1.032 peak   455 weight  1.00000E+00 volume  2.35419E+05 ppm1      1.390 ppm2      3.991
 ASSI {  452}
   (( segid "   A" and resid 50   and name  HG1 ))
   (( segid "   A" and resid 47   and name  HA  ))

      4.070     2.350     1.018 peak   452 weight  1.00000E+00 volume  2.04144E+05 ppm1      1.574 ppm2      3.991
 ASSI {  443}
   (  segid "   A" and resid 50   and name  HB# )
   (( segid "   A" and resid 47   and name  HA  ))

      3.002     1.282     0.751 peak   443 weight  1.00000E+00 volume  1.19718E+06 ppm1      1.904 ppm2      3.979
 ASSI {   12}
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 47   and name  HA  ))

      3.653     1.933     0.913 peak    12 weight  1.00000E+00 volume  1.36680E+05 ppm1      7.759 ppm2      3.982
 ASSI {   38}
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 48   and name  HN  ))

      4.499     2.779     1.125 peak    38 weight  1.00000E+00 volume  4.89971E+04 ppm1      8.384 ppm2      7.762
 ASSI { 1295}
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 49   and name  HG2 ))

      5.074     3.354     1.268 peak  1295 weight  1.00000E+00 volume  7.96953E+04 ppm1      1.290 ppm2      7.757
 ASSI {   13}
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 49   and name  HA  ))

      4.443     2.723     1.111 peak    13 weight  1.00000E+00 volume  5.68111E+04 ppm1      7.761 ppm2      3.709
 ASSI {  138}
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 49   and name  HB2 ))

      3.816     2.096     0.954 peak   138 weight  1.00000E+00 volume  1.26139E+05 ppm1      7.760 ppm2      1.760
 ASSI {  137}
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 49   and name  HB1 ))

      2.929     1.209     0.732 peak   137 weight  1.00000E+00 volume  7.20169E+05 ppm1      7.760 ppm2      1.903
 OR {  137}
   (( segid "   A" and resid 50   and name  HN  ))
   (  segid "   A" and resid 50   and name  HB# )
 ASSI {  134}
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 49   and name  HN  ))

      4.047     2.327     1.012 peak   134 weight  1.00000E+00 volume  9.43371E+04 ppm1      7.759 ppm2      8.260
 ASSI {  139}
   (( segid "   A" and resid 50   and name  HN  ))
   (  segid "   A" and resid 50   and name  HD# )

      3.966     2.246     0.991 peak   139 weight  1.00000E+00 volume  1.12617E+05 ppm1      7.758 ppm2      1.677
 ASSI {  445}
   (  segid "   A" and resid 50   and name  HB# )
   (  segid "   A" and resid 50   and name  HE# )

      3.357     1.637     0.839 peak   445 weight  1.00000E+00 volume  4.65952E+05 ppm1      1.906 ppm2      2.918
 ASSI {  454}
   (( segid "   A" and resid 50   and name  HG1 ))
   (  segid "   A" and resid 50   and name  HE# )

      3.023     1.303     0.756 peak   454 weight  1.00000E+00 volume  5.68938E+05 ppm1      1.578 ppm2      2.926
 ASSI {  450}
   (( segid "   A" and resid 50   and name  HA  ))
   (  segid "   A" and resid 50   and name  HD# )

      3.599     1.879     0.900 peak   450 weight  1.00000E+00 volume  4.65157E+05 ppm1      4.085 ppm2      1.677
 ASSI {  466}
   (( segid "   A" and resid 50   and name  HG2 ))
   (  segid "   A" and resid 50   and name  HD# )

      2.760     1.040     0.690 peak   466 weight  1.00000E+00 volume  2.35071E+06 ppm1      1.680 ppm2      1.390
 ASSI {  441}
   (( segid "   A" and resid 50   and name  HG2 ))
   (( segid "   A" and resid 50   and name  HA  ))

      3.507     1.787     0.877 peak   441 weight  1.00000E+00 volume  6.54336E+05 ppm1      4.082 ppm2      1.388
 ASSI {  473}
   (( segid "   A" and resid 50   and name  HN  ))
   (  segid "   A" and resid 50   and name  HE# )

      4.586     2.866     1.147 peak   473 weight  1.00000E+00 volume  1.62153E+05 ppm1      2.925 ppm2      7.756
 ASSI {  462}
   (( segid "   A" and resid 50   and name  HA  ))
   (( segid "   A" and resid 50   and name  HD2 ))

      3.774     2.054     0.944 peak   462 weight  1.00000E+00 volume  4.61895E+05 ppm1      1.678 ppm2      4.078
 ASSI {  448}
   (( segid "   A" and resid 50   and name  HA  ))
   (  segid "   A" and resid 50   and name  HE# )

      4.332     2.612     1.083 peak   448 weight  1.00000E+00 volume  1.41616E+05 ppm1      4.086 ppm2      2.928
 ASSI {  451}
   (( segid "   A" and resid 50   and name  HG1 ))
   (( segid "   A" and resid 50   and name  HA  ))

      3.410     1.690     0.853 peak   451 weight  1.00000E+00 volume  8.16098E+05 ppm1      4.083 ppm2      1.575
 ASSI {  477}
   (( segid "   A" and resid 50   and name  HN  ))
   (  segid "   A" and resid 50   and name  HB# )

      3.051     1.331     0.763 peak   477 weight  1.00000E+00 volume  1.47489E+06 ppm1      1.905 ppm2      7.759
 ASSI {  461}
   (  segid "   A" and resid 50   and name  HB# )
   (( segid "   A" and resid 50   and name  HG2 ))

      2.966     1.246     0.742 peak   461 weight  1.00000E+00 volume  1.56042E+06 ppm1      1.393 ppm2      1.888
 ASSI {  457}
   (( segid "   A" and resid 50   and name  HG1 ))
   (( segid "   A" and resid 50   and name  HG2 ))

      2.606     0.886     0.652 peak   457 weight  1.00000E+00 volume  3.79422E+06 ppm1      1.391 ppm2      1.578
 ASSI {  463}
   (  segid "   A" and resid 50   and name  HD# )
   (  segid "   A" and resid 50   and name  HE# )

      2.623     0.903     0.656 peak   463 weight  1.00000E+00 volume  2.64937E+06 ppm1      1.678 ppm2      2.924
 ASSI {   11}
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 50   and name  HA  ))

      3.375     1.655     0.844 peak    11 weight  1.00000E+00 volume  2.41252E+05 ppm1      7.759 ppm2      4.078
 ASSI {  440}
   (  segid "   A" and resid 50   and name  HB# )
   (( segid "   A" and resid 50   and name  HA  ))

      2.842     1.122     0.711 peak   440 weight  1.00000E+00 volume  2.38960E+06 ppm1      4.083 ppm2      1.904
 ASSI {  459}
   (( segid "   A" and resid 50   and name  HG2 ))
   (  segid "   A" and resid 50   and name  HE# )

      3.194     1.474     0.798 peak   459 weight  1.00000E+00 volume  9.05727E+05 ppm1      1.391 ppm2      2.924
 ASSI {  460}
   (  segid "   A" and resid 50   and name  HB# )
   (( segid "   A" and resid 50   and name  HG1 ))

      3.140     1.420     0.785 peak   460 weight  1.00000E+00 volume  1.13748E+06 ppm1      1.578 ppm2      1.903
 ASSI {  465}
   (  segid "   A" and resid 50   and name  HB# )
   (  segid "   A" and resid 50   and name  HD# )

      2.905     1.185     0.726 peak   465 weight  1.00000E+00 volume  1.98070E+06 ppm1      1.680 ppm2      1.901
 ASSI {  142}
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 50   and name  HG2 ))

      3.985     2.265     0.996 peak   142 weight  1.00000E+00 volume  9.39308E+04 ppm1      7.761 ppm2      1.388
 ASSI {  140}
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 50   and name  HG1 ))

      3.519     1.799     0.880 peak   140 weight  1.00000E+00 volume  2.24317E+05 ppm1      7.760 ppm2      1.573
 ASSI {  135}
   (( segid "   A" and resid 50   and name  HN  ))
   (( segid "   A" and resid 52   and name  HN  ))

      4.751     3.031     1.188 peak   135 weight  1.00000E+00 volume  4.45213E+04 ppm1      7.763 ppm2      8.484
 ASSI {  345}
   (( segid "   A" and resid 50   and name  HB1 ))
   (  segid "   A" and resid 54   and name  HB# )

      4.820     3.100     1.205 peak   345 weight  1.00000E+00 volume  2.41504E+05 ppm1      1.561 ppm2      1.899
 ASSI {  424}
   (  segid "   A" and resid 51   and name  HD# )
   (  segid "   A" and resid 30   and name  HE# )

      4.355     2.635     1.089 peak   424 weight  1.00000E+00 volume  1.41326E+06 ppm1      0.983 ppm2      7.245
 ASSI {  425}
   (  segid "   A" and resid 51   and name  HD# )
   (( segid "   A" and resid 30   and name  HZ  ))

      4.131     2.411     1.033 peak   425 weight  1.00000E+00 volume  9.87528E+05 ppm1      0.984 ppm2      7.111
 ASSI {   15}
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 47   and name  HA  ))

      4.454     2.734     1.114 peak    15 weight  1.00000E+00 volume  5.17477E+04 ppm1      7.985 ppm2      3.971
 ASSI {   22}
   (( segid "   A" and resid 51   and name  HN  ))
   (  segid "   A" and resid 48   and name  HB# )

      5.736     4.016     1.434 peak    22 weight  1.00000E+00 volume  1.24540E+05 ppm1      0.425 ppm2      7.984
 ASSI {   37}
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 48   and name  HN  ))

      4.844     3.124     1.211 peak    37 weight  1.00000E+00 volume  3.69106E+04 ppm1      8.387 ppm2      7.985
 ASSI {   18}
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 48   and name  HA  ))

      4.561     2.841     1.140 peak    18 weight  1.00000E+00 volume  5.79743E+04 ppm1      7.985 ppm2      3.392
 ASSI {   17}
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 49   and name  HA  ))

      5.307     3.587     1.327 peak    17 weight  1.00000E+00 volume  3.57947E+04 ppm1      7.991 ppm2      3.706
 ASSI { 1525}
   (  segid "   A" and resid 51   and name  HD# )
   (( segid "   A" and resid 50   and name  HE2 ))

      6.310     4.590     1.577 peak  1525 weight  1.00000E+00 volume  8.62803E+04 ppm1      2.922 ppm2      0.959
 ASSI {  131}
   (( segid "   A" and resid 51   and name  HN  ))
   (  segid "   A" and resid 50   and name  HB# )

      3.382     1.662     0.845 peak   131 weight  1.00000E+00 volume  3.26793E+05 ppm1      7.986 ppm2      1.903
 ASSI {   14}
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 50   and name  HA  ))

      3.813     2.093     0.953 peak    14 weight  1.00000E+00 volume  1.19362E+05 ppm1      7.987 ppm2      4.081
 ASSI {    8}
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 50   and name  HN  ))

      3.619     1.899     0.905 peak     8 weight  1.00000E+00 volume  1.90706E+05 ppm1      7.987 ppm2      7.757
 ASSI {  438}
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 51   and name  HA  ))

      3.497     1.777     0.874 peak   438 weight  1.00000E+00 volume  6.30279E+05 ppm1      4.166 ppm2      7.989
 OR {  438}
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 51   and name  HA  ))
 ASSI {  393}
   (( segid "   A" and resid 51   and name  HB1 ))
   (  segid "   A" and resid 51   and name  HD1#)

      3.816     2.096     0.954 peak   393 weight  1.00000E+00 volume  1.67432E+06 ppm1      0.984 ppm2      1.648
 ASSI {  398}
   (( segid "   A" and resid 51   and name  HA  ))
   (( segid "   A" and resid 51   and name  HG  ))

      3.587     1.867     0.897 peak   398 weight  1.00000E+00 volume  2.70069E+05 ppm1      1.478 ppm2      4.166
 ASSI {  399}
   (( segid "   A" and resid 51   and name  HB2 ))
   (( segid "   A" and resid 51   and name  HG  ))

      3.534     1.814     0.884 peak   399 weight  1.00000E+00 volume  4.91477E+05 ppm1      1.480 ppm2      1.801
 ASSI {  406}
   (( segid "   A" and resid 51   and name  HB2 ))
   (( segid "   A" and resid 51   and name  HG  ))

      3.708     1.988     0.927 peak   406 weight  1.00000E+00 volume  3.84215E+05 ppm1      1.800 ppm2      1.480
 OR {  406}
   (( segid "   A" and resid 22   and name  HB1 ))
   (( segid "   A" and resid 51   and name  HB2 ))
 ASSI {  400}
   (( segid "   A" and resid 51   and name  HB1 ))
   (( segid "   A" and resid 51   and name  HG  ))

      3.362     1.642     0.841 peak   400 weight  1.00000E+00 volume  7.10039E+05 ppm1      1.483 ppm2      1.638
 ASSI {  407}
   (( segid "   A" and resid 51   and name  HB1 ))
   (( segid "   A" and resid 51   and name  HB2 ))

      3.362     1.642     0.840 peak   407 weight  1.00000E+00 volume  6.71869E+05 ppm1      1.802 ppm2      1.648
 ASSI {  380}
   (( segid "   A" and resid 51   and name  HG  ))
   (  segid "   A" and resid 51   and name  HD# )

      3.516     1.796     0.879 peak   380 weight  1.00000E+00 volume  1.92907E+06 ppm1      0.944 ppm2      1.479
 ASSI {  377}
   (( segid "   A" and resid 51   and name  HB2 ))
   (  segid "   A" and resid 51   and name  HD# )

      4.006     2.286     1.002 peak   377 weight  1.00000E+00 volume  9.88435E+05 ppm1      0.944 ppm2      1.797
 ASSI {  410}
   (( segid "   A" and resid 51   and name  HA  ))
   (( segid "   A" and resid 51   and name  HB1 ))

      3.265     1.545     0.816 peak   410 weight  1.00000E+00 volume  3.68346E+05 ppm1      1.645 ppm2      4.167
 ASSI {  378}
   (( segid "   A" and resid 51   and name  HB1 ))
   (  segid "   A" and resid 51   and name  HD# )

      3.757     2.037     0.939 peak   378 weight  1.00000E+00 volume  1.47295E+06 ppm1      0.944 ppm2      1.639
 ASSI {  433}
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 51   and name  HG  ))

      4.241     2.521     1.060 peak   433 weight  1.00000E+00 volume  1.84067E+05 ppm1      1.476 ppm2      7.983
 ASSI {  392}
   (( segid "   A" and resid 51   and name  HB2 ))
   (  segid "   A" and resid 51   and name  HD1#)

      3.952     2.232     0.988 peak   392 weight  1.00000E+00 volume  1.39349E+06 ppm1      0.983 ppm2      1.797
 ASSI {  127}
   (( segid "   A" and resid 51   and name  HN  ))
   (  segid "   A" and resid 51   and name  HD# )

      4.364     2.644     1.091 peak   127 weight  1.00000E+00 volume  1.65141E+05 ppm1      7.988 ppm2      0.955
 ASSI {  382}
   (( segid "   A" and resid 51   and name  HA  ))
   (  segid "   A" and resid 51   and name  HD# )

      3.583     1.863     0.896 peak   382 weight  1.00000E+00 volume  1.54731E+06 ppm1      0.944 ppm2      4.166
 ASSI {  413}
   (( segid "   A" and resid 51   and name  HA  ))
   (( segid "   A" and resid 51   and name  HB2 ))

      3.270     1.550     0.818 peak   413 weight  1.00000E+00 volume  3.06211E+05 ppm1      1.802 ppm2      4.156
 ASSI {  130}
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 51   and name  HB1 ))

      3.382     1.662     0.845 peak   130 weight  1.00000E+00 volume  2.52620E+05 ppm1      7.986 ppm2      1.645
 ASSI {   76}
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 51   and name  HG  ))

      3.771     2.051     0.943 peak    76 weight  1.00000E+00 volume  1.17478E+05 ppm1      7.993 ppm2      1.486
 OR {   76}
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 51   and name  HG  ))
 ASSI {  126}
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 51   and name  HA  ))

      3.417     1.697     0.854 peak   126 weight  1.00000E+00 volume  1.97668E+05 ppm1      7.985 ppm2      4.168
 ASSI {  129}
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 51   and name  HB2 ))

      3.562     1.842     0.891 peak   129 weight  1.00000E+00 volume  1.94450E+05 ppm1      7.987 ppm2      1.799
 ASSI {    5}
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 52   and name  HN  ))

      3.765     2.045     0.941 peak     5 weight  1.00000E+00 volume  1.37099E+05 ppm1      7.988 ppm2      8.492
 ASSI {  125}
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 53   and name  HN  ))

      3.404     1.684     0.851 peak   125 weight  1.00000E+00 volume  1.29431E+05 ppm1      7.988 ppm2      8.063
 ASSI {  417}
   (( segid "   A" and resid 51   and name  HA  ))
   (  segid "   A" and resid 54   and name  HB# )

      3.707     1.987     0.927 peak   417 weight  1.00000E+00 volume  1.34209E+06 ppm1      4.166 ppm2      1.564
 ASSI {  305}
   (( segid "   A" and resid 52   and name  HB2 ))
   (  segid "   A" and resid 19   and name  HD2#)

      5.364     3.644     1.341 peak   305 weight  1.00000E+00 volume  1.49210E+05 ppm1      2.377 ppm2      0.663
 ASSI {  304}
   (( segid "   A" and resid 52   and name  HB2 ))
   (  segid "   A" and resid 19   and name  HD1#)

      5.407     3.687     1.352 peak   304 weight  1.00000E+00 volume  1.73917E+05 ppm1      2.377 ppm2      0.783
 OR {  304}
   (  segid "   A" and resid 22   and name  HD2#)
   (( segid "   A" and resid 52   and name  HB2 ))
 ASSI {  303}
   (( segid "   A" and resid 52   and name  HB1 ))
   (  segid "   A" and resid 19   and name  HD2#)

      5.499     3.779     1.375 peak   303 weight  1.00000E+00 volume  1.05940E+05 ppm1      3.086 ppm2      0.673
 ASSI {  307}
   (( segid "   A" and resid 52   and name  HA  ))
   (  segid "   A" and resid 19   and name  HD2#)

      5.322     3.602     1.331 peak   307 weight  1.00000E+00 volume  1.12227E+05 ppm1      3.903 ppm2      0.669
 ASSI {  302}
   (( segid "   A" and resid 52   and name  HB1 ))
   (  segid "   A" and resid 19   and name  HD1#)

      5.161     3.441     1.290 peak   302 weight  1.00000E+00 volume  1.84947E+05 ppm1      3.087 ppm2      0.784
 ASSI {  119}
   (( segid "   A" and resid 52   and name  HN  ))
   (  segid "   A" and resid 19   and name  HD2#)

      5.568     3.848     1.392 peak   119 weight  1.00000E+00 volume  6.24965E+04 ppm1      8.486 ppm2      0.663
 ASSI {  559}
   (( segid "   A" and resid 52   and name  HD21))
   (  segid "   A" and resid 19   and name  HD1#)

      5.018     3.298     1.254 peak   559 weight  1.00000E+00 volume  8.14486E+04 ppm1      7.894 ppm2      0.779
 ASSI {  667}
   (( segid "   A" and resid 52   and name  HD21))
   (  segid "   A" and resid 19   and name  HD2#)

      5.764     4.044     1.441 peak   667 weight  1.00000E+00 volume  3.78803E+04 ppm1      7.891 ppm2      0.668
 ASSI {  560}
   (( segid "   A" and resid 52   and name  HD22))
   (  segid "   A" and resid 19   and name  HD1#)

      5.168     3.448     1.292 peak   560 weight  1.00000E+00 volume  6.92386E+04 ppm1      6.630 ppm2      0.779
 ASSI {  562}
   (( segid "   A" and resid 52   and name  HD22))
   (( segid "   A" and resid 20   and name  HD1 ))

      4.442     2.722     1.110 peak   562 weight  1.00000E+00 volume  4.83183E+04 ppm1      6.625 ppm2      3.703
 ASSI {  174}
   (( segid "   A" and resid 52   and name  HD22))
   (( segid "   A" and resid 20   and name  HD2 ))

      4.831     3.111     1.208 peak   174 weight  1.00000E+00 volume  8.21117E+04 ppm1      3.931 ppm2      6.641
 ASSI {  177}
   (( segid "   A" and resid 52   and name  HD22))
   (( segid "   A" and resid 20   and name  HG2 ))

      4.879     3.159     1.220 peak   177 weight  1.00000E+00 volume  8.48235E+04 ppm1      2.009 ppm2      6.639
 ASSI {  176}
   (( segid "   A" and resid 52   and name  HD22))
   (( segid "   A" and resid 20   and name  HG1 ))

      4.921     3.201     1.230 peak   176 weight  1.00000E+00 volume  7.66969E+04 ppm1      2.120 ppm2      6.629
 ASSI {  564}
   (( segid "   A" and resid 52   and name  HD21))
   (( segid "   A" and resid 20   and name  HD1 ))

      4.462     2.742     1.115 peak   564 weight  1.00000E+00 volume  5.39824E+04 ppm1      7.890 ppm2      3.706
 ASSI {  311}
   (( segid "   A" and resid 52   and name  HA  ))
   (( segid "   A" and resid 21   and name  HB2 ))

      4.026     2.306     1.007 peak   311 weight  1.00000E+00 volume  2.90293E+05 ppm1      3.902 ppm2      2.854
 ASSI {  675}
   (( segid "   A" and resid 52   and name  HD21))
   (( segid "   A" and resid 21   and name  HD21))

      5.101     3.381     1.275 peak   675 weight  1.00000E+00 volume  2.48002E+04 ppm1      6.957 ppm2      7.885
 ASSI {  671}
   (( segid "   A" and resid 52   and name  HD21))
   (( segid "   A" and resid 21   and name  HD22))

      5.011     3.291     1.253 peak   671 weight  1.00000E+00 volume  1.64521E+04 ppm1      7.889 ppm2      7.337
 ASSI {  669}
   (( segid "   A" and resid 52   and name  HD22))
   (( segid "   A" and resid 21   and name  HD21))

      4.748     3.028     1.187 peak   669 weight  1.00000E+00 volume  1.79482E+04 ppm1      6.626 ppm2      6.959
 ASSI {  670}
   (( segid "   A" and resid 52   and name  HD22))
   (( segid "   A" and resid 21   and name  HD22))

      4.749     3.029     1.187 peak   670 weight  1.00000E+00 volume  2.38462E+04 ppm1      6.630 ppm2      7.340
 ASSI {  115}
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 22   and name  HB1 ))

      4.778     3.058     1.195 peak   115 weight  1.00000E+00 volume  3.97969E+04 ppm1      8.491 ppm2      1.473
 ASSI {   21}
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 49   and name  HA  ))

      4.284     2.564     1.071 peak    21 weight  1.00000E+00 volume  7.20292E+04 ppm1      8.488 ppm2      3.709
 ASSI { 1531}
   (( segid "   A" and resid 52   and name  HB1 ))
   (( segid "   A" and resid 49   and name  HB2 ))

      6.017     4.297     1.504 peak  1531 weight  1.00000E+00 volume  2.71184E+04 ppm1      1.757 ppm2      3.080
 ASSI {  299}
   (( segid "   A" and resid 52   and name  HB2 ))
   (( segid "   A" and resid 49   and name  HA  ))

      4.489     2.769     1.122 peak   299 weight  1.00000E+00 volume  1.19725E+05 ppm1      2.378 ppm2      3.714
 ASSI { 1462}
   (( segid "   A" and resid 52   and name  HB1 ))
   (( segid "   A" and resid 49   and name  HB1 ))

      5.396     3.676     1.349 peak  1462 weight  1.00000E+00 volume  4.42431E+04 ppm1      1.903 ppm2      3.087
 ASSI {  297}
   (( segid "   A" and resid 52   and name  HB1 ))
   (( segid "   A" and resid 49   and name  HA  ))

      4.166     2.446     1.041 peak   297 weight  1.00000E+00 volume  1.31139E+05 ppm1      3.088 ppm2      3.707
 ASSI {  111}
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 49   and name  HB1 ))

      4.656     2.936     1.164 peak   111 weight  1.00000E+00 volume  5.05280E+04 ppm1      8.486 ppm2      1.897
 ASSI {  432}
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 51   and name  HG  ))

      4.540     2.820     1.135 peak   432 weight  1.00000E+00 volume  1.30044E+05 ppm1      1.479 ppm2      8.488
 ASSI {   19}
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 51   and name  HA  ))

      4.330     2.610     1.082 peak    19 weight  1.00000E+00 volume  4.20191E+04 ppm1      8.488 ppm2      4.165
 ASSI {  113}
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 51   and name  HB1 ))

      4.146     2.426     1.037 peak   113 weight  1.00000E+00 volume  6.63529E+04 ppm1      8.487 ppm2      1.645
 ASSI {  112}
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 51   and name  HB2 ))

      4.230     2.510     1.058 peak   112 weight  1.00000E+00 volume  6.85718E+04 ppm1      8.481 ppm2      1.794
 ASSI {  116}
   (( segid "   A" and resid 52   and name  HN  ))
   (  segid "   A" and resid 51   and name  HD# )

      4.835     3.115     1.209 peak   116 weight  1.00000E+00 volume  4.74060E+04 ppm1      8.489 ppm2      0.955
 ASSI {  318}
   (( segid "   A" and resid 52   and name  HD21))
   (( segid "   A" and resid 52   and name  HB2 ))

      4.762     3.042     1.191 peak   318 weight  1.00000E+00 volume  9.49392E+04 ppm1      2.379 ppm2      7.899
 ASSI {  565}
   (( segid "   A" and resid 52   and name  HD21))
   (( segid "   A" and resid 52   and name  HB1 ))

      4.476     2.756     1.119 peak   565 weight  1.00000E+00 volume  3.88735E+04 ppm1      7.890 ppm2      3.091
 ASSI {  298}
   (( segid "   A" and resid 52   and name  HB2 ))
   (( segid "   A" and resid 52   and name  HA  ))

      4.015     2.295     1.004 peak   298 weight  1.00000E+00 volume  1.25475E+05 ppm1      2.379 ppm2      3.904
 ASSI {  319}
   (( segid "   A" and resid 52   and name  HD22))
   (( segid "   A" and resid 52   and name  HB2 ))

      4.913     3.193     1.228 peak   319 weight  1.00000E+00 volume  7.45565E+04 ppm1      2.374 ppm2      6.626
 ASSI {   22}
   (( segid "   A" and resid 52   and name  HB1 ))
   (( segid "   A" and resid 52   and name  HN  ))

      4.075     2.355     1.019 peak    22 weight  1.00000E+00 volume  8.50828E+04 ppm1      8.488 ppm2      3.087
 ASSI {  110}
   (( segid "   A" and resid 52   and name  HB2 ))
   (( segid "   A" and resid 52   and name  HN  ))

      4.155     2.435     1.039 peak   110 weight  1.00000E+00 volume  7.81806E+04 ppm1      8.488 ppm2      2.375
 ASSI {  300}
   (( segid "   A" and resid 52   and name  HB1 ))
   (( segid "   A" and resid 52   and name  HB2 ))

      4.379     2.659     1.095 peak   300 weight  1.00000E+00 volume  1.54496E+05 ppm1      2.376 ppm2      3.086
 ASSI {  295}
   (( segid "   A" and resid 52   and name  HB1 ))
   (( segid "   A" and resid 52   and name  HA  ))

      4.137     2.417     1.034 peak   295 weight  1.00000E+00 volume  8.00604E+04 ppm1      3.089 ppm2      3.898
 ASSI {  563}
   (( segid "   A" and resid 52   and name  HD22))
   (( segid "   A" and resid 52   and name  HB1 ))

      4.699     2.979     1.175 peak   563 weight  1.00000E+00 volume  3.08716E+04 ppm1      6.633 ppm2      3.092
 ASSI {  557}
   (( segid "   A" and resid 52   and name  HD22))
   (( segid "   A" and resid 52   and name  HD21))

      3.716     1.996     0.929 peak   557 weight  1.00000E+00 volume  1.54115E+05 ppm1      6.632 ppm2      7.890
 ASSI {   20}
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 52   and name  HA  ))

      3.816     2.096     0.954 peak    20 weight  1.00000E+00 volume  9.20599E+04 ppm1      8.489 ppm2      3.897
 ASSI {  561}
   (( segid "   A" and resid 52   and name  HD22))
   (( segid "   A" and resid 52   and name  HA  ))

      4.763     3.043     1.191 peak   561 weight  1.00000E+00 volume  3.38755E+04 ppm1      6.622 ppm2      3.918
 ASSI {    4}
   (( segid "   A" and resid 52   and name  HD21))
   (( segid "   A" and resid 52   and name  HN  ))

      4.380     2.660     1.095 peak     4 weight  1.00000E+00 volume  5.82108E+04 ppm1      8.487 ppm2      7.892
 ASSI {  101}
   (( segid "   A" and resid 52   and name  HB1 ))
   (( segid "   A" and resid 53   and name  HN  ))

      4.185     2.465     1.046 peak   101 weight  1.00000E+00 volume  7.97029E+04 ppm1      8.065 ppm2      3.080
 ASSI {  104}
   (( segid "   A" and resid 52   and name  HB2 ))
   (( segid "   A" and resid 53   and name  HN  ))

      4.489     2.769     1.122 peak   104 weight  1.00000E+00 volume  4.77799E+04 ppm1      8.068 ppm2      2.366
 ASSI {    2}
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 53   and name  HN  ))

      3.782     2.062     0.945 peak     2 weight  1.00000E+00 volume  1.14964E+05 ppm1      8.490 ppm2      8.063
 ASSI {   93}
   (( segid "   A" and resid 52   and name  HD21))
   (( segid "   A" and resid 53   and name  HN  ))

      4.124     2.404     1.031 peak    93 weight  1.00000E+00 volume  7.13412E+04 ppm1      8.068 ppm2      7.889
 ASSI {   99}
   (( segid "   A" and resid 52   and name  HA  ))
   (( segid "   A" and resid 53   and name  HN  ))

      4.348     2.628     1.087 peak    99 weight  1.00000E+00 volume  6.32284E+04 ppm1      8.069 ppm2      3.900
 ASSI {   95}
   (( segid "   A" and resid 52   and name  HD22))
   (( segid "   A" and resid 53   and name  HN  ))

      4.600     2.880     1.150 peak    95 weight  1.00000E+00 volume  4.54894E+04 ppm1      8.066 ppm2      6.623
 ASSI {  114}
   (( segid "   A" and resid 52   and name  HN  ))
   (  segid "   A" and resid 54   and name  HB# )

      4.782     3.062     1.196 peak   114 weight  1.00000E+00 volume  5.60222E+04 ppm1      8.488 ppm2      1.564
 OR {  114}
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 49   and name  HD1 ))
 OR {  114}
   (( segid "   A" and resid 52   and name  HN  ))
   (( segid "   A" and resid 49   and name  HG1 ))
 ASSI {   53}
   (( segid "   A" and resid 52   and name  HD22))
   (  segid "   A" and resid 56   and name  HB# )

      5.639     3.919     1.410 peak    53 weight  1.00000E+00 volume  1.54632E+05 ppm1      1.411 ppm2      6.638
 ASSI {  366}
   (( segid "   A" and resid 53   and name  HB1 ))
   (( segid "   A" and resid 49   and name  HD1 ))

      4.434     2.714     1.108 peak   366 weight  1.00000E+00 volume  1.30186E+05 ppm1      2.728 ppm2      1.568
 OR {  366}
   (( segid "   A" and resid 53   and name  HB1 ))
   (( segid "   A" and resid 49   and name  HG1 ))
 ASSI {  106}
   (( segid "   A" and resid 53   and name  HN  ))
   (( segid "   A" and resid 49   and name  HG1 ))

      4.022     2.302     1.005 peak   106 weight  1.00000E+00 volume  1.15975E+05 ppm1      8.067 ppm2      1.561
 OR {  106}
   (( segid "   A" and resid 53   and name  HN  ))
   (( segid "   A" and resid 49   and name  HD1 ))
 ASSI {  357}
   (( segid "   A" and resid 53   and name  HB1 ))
   (( segid "   A" and resid 50   and name  HA  ))

      3.430     1.710     0.857 peak   357 weight  1.00000E+00 volume  2.03473E+05 ppm1      2.739 ppm2      4.080
 ASSI {  358}
   (( segid "   A" and resid 53   and name  HB2 ))
   (( segid "   A" and resid 50   and name  HA  ))

      3.482     1.762     0.870 peak   358 weight  1.00000E+00 volume  2.03628E+05 ppm1      2.681 ppm2      4.081
 ASSI {   98}
   (( segid "   A" and resid 53   and name  HN  ))
   (( segid "   A" and resid 50   and name  HA  ))

      3.710     1.990     0.928 peak    98 weight  1.00000E+00 volume  9.19129E+04 ppm1      8.066 ppm2      4.077
 ASSI {  105}
   (( segid "   A" and resid 53   and name  HN  ))
   (  segid "   A" and resid 50   and name  HB# )

      4.468     2.748     1.117 peak   105 weight  1.00000E+00 volume  5.32630E+04 ppm1      8.069 ppm2      1.905
 ASSI {  364}
   (( segid "   A" and resid 53   and name  HB1 ))
   (( segid "   A" and resid 53   and name  HB2 ))

      2.712     0.992     0.678 peak   364 weight  1.00000E+00 volume  1.40590E+06 ppm1      2.680 ppm2      2.743
 ASSI {  103}
   (( segid "   A" and resid 53   and name  HB2 ))
   (( segid "   A" and resid 53   and name  HN  ))

      3.438     1.718     0.860 peak   103 weight  1.00000E+00 volume  2.25325E+05 ppm1      8.070 ppm2      2.685
 ASSI {  360}
   (( segid "   A" and resid 53   and name  HB1 ))
   (( segid "   A" and resid 53   and name  HA  ))

      3.297     1.577     0.824 peak   360 weight  1.00000E+00 volume  3.20372E+05 ppm1      2.742 ppm2      4.441
 ASSI {  359}
   (( segid "   A" and resid 53   and name  HB2 ))
   (( segid "   A" and resid 53   and name  HA  ))

      3.282     1.562     0.821 peak   359 weight  1.00000E+00 volume  2.78667E+05 ppm1      2.675 ppm2      4.433
 ASSI {  102}
   (( segid "   A" and resid 53   and name  HB1 ))
   (( segid "   A" and resid 53   and name  HN  ))

      3.438     1.718     0.859 peak   102 weight  1.00000E+00 volume  2.27561E+05 ppm1      8.068 ppm2      2.729
 ASSI {   96}
   (( segid "   A" and resid 53   and name  HN  ))
   (( segid "   A" and resid 53   and name  HA  ))

      3.618     1.898     0.905 peak    96 weight  1.00000E+00 volume  1.87717E+05 ppm1      8.070 ppm2      4.435
 ASSI {  340}
   (( segid "   A" and resid 53   and name  HB1 ))
   (  segid "   A" and resid 54   and name  HB# )

      4.714     2.994     1.179 peak   340 weight  1.00000E+00 volume  3.26269E+05 ppm1      1.561 ppm2      2.725
 ASSI {  341}
   (( segid "   A" and resid 53   and name  HB1 ))
   (( segid "   A" and resid 54   and name  HA  ))

      4.322     2.602     1.081 peak   341 weight  1.00000E+00 volume  1.51804E+05 ppm1      4.209 ppm2      2.734
 ASSI {  367}
   (( segid "   A" and resid 53   and name  HB2 ))
   (  segid "   A" and resid 54   and name  HB# )

      4.534     2.814     1.133 peak   367 weight  1.00000E+00 volume  1.38606E+05 ppm1      2.680 ppm2      1.564
 OR {  367}
   (( segid "   A" and resid 53   and name  HB2 ))
   (( segid "   A" and resid 49   and name  HG1 ))
 OR {  367}
   (( segid "   A" and resid 53   and name  HB2 ))
   (( segid "   A" and resid 50   and name  HG1 ))
 OR {  367}
   (( segid "   A" and resid 53   and name  HB2 ))
   (( segid "   A" and resid 49   and name  HD1 ))
 ASSI {  342}
   (( segid "   A" and resid 53   and name  HB2 ))
   (( segid "   A" and resid 54   and name  HA  ))

      4.308     2.588     1.077 peak   342 weight  1.00000E+00 volume  1.92778E+05 ppm1      4.209 ppm2      2.679
 ASSI {  664}
   (( segid "   A" and resid 53   and name  HB1 ))
   (( segid "   A" and resid 55   and name  HN  ))

      4.757     3.037     1.189 peak   664 weight  1.00000E+00 volume  4.35271E+04 ppm1      7.529 ppm2      2.733
 ASSI {   86}
   (( segid "   A" and resid 53   and name  HB2 ))
   (  segid "   A" and resid 56   and name  HB# )

      5.168     3.448     1.292 peak    86 weight  1.00000E+00 volume  2.48279E+05 ppm1      1.409 ppm2      2.703
 ASSI {   54}
   (( segid "   A" and resid 53   and name  HA  ))
   (  segid "   A" and resid 56   and name  HB# )

      4.151     2.431     1.038 peak    54 weight  1.00000E+00 volume  9.03561E+05 ppm1      1.410 ppm2      4.423
 ASSI {  107}
   (( segid "   A" and resid 53   and name  HN  ))
   (  segid "   A" and resid 56   and name  HB# )

      5.714     3.994     1.429 peak   107 weight  1.00000E+00 volume  4.42772E+04 ppm1      8.064 ppm2      1.407
 ASSI {   71}
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 50   and name  HA  ))

      3.712     1.992     0.928 peak    71 weight  1.00000E+00 volume  1.14483E+05 ppm1      7.987 ppm2      4.093
 ASSI {  343}
   (  segid "   A" and resid 54   and name  HB# )
   (  segid "   A" and resid 51   and name  HD# )

      4.510     2.790     1.127 peak   343 weight  1.00000E+00 volume  1.44983E+06 ppm1      1.562 ppm2      0.950
 ASSI {  379}
   (  segid "   A" and resid 54   and name  HB# )
   (  segid "   A" and resid 51   and name  HD2#)

      4.379     2.659     1.095 peak   379 weight  1.00000E+00 volume  1.68443E+06 ppm1      0.944 ppm2      1.560
 ASSI {  132}
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 51   and name  HA  ))

      3.280     1.560     0.820 peak   132 weight  1.00000E+00 volume  2.39923E+05 ppm1      7.991 ppm2      4.156
 ASSI {   16}
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 52   and name  HA  ))

      4.773     3.053     1.193 peak    16 weight  1.00000E+00 volume  4.14676E+04 ppm1      7.986 ppm2      3.899
 OR {   16}
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 52   and name  HA  ))
 ASSI {    3}
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 52   and name  HN  ))

      3.685     1.965     0.921 peak     3 weight  1.00000E+00 volume  1.69036E+05 ppm1      8.488 ppm2      7.984
 OR {    3}
   (( segid "   A" and resid 51   and name  HN  ))
   (( segid "   A" and resid 52   and name  HN  ))
 ASSI {   72}
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 53   and name  HB1 ))

      3.568     1.848     0.892 peak    72 weight  1.00000E+00 volume  1.78882E+05 ppm1      7.993 ppm2      2.725
 ASSI {   68}
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 53   and name  HA  ))

      3.928     2.208     0.982 peak    68 weight  1.00000E+00 volume  1.11754E+05 ppm1      7.993 ppm2      4.436
 ASSI {   66}
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 53   and name  HN  ))

      3.240     1.520     0.810 peak    66 weight  1.00000E+00 volume  3.17864E+05 ppm1      7.991 ppm2      8.062
 ASSI {   73}
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 53   and name  HB2 ))

      3.539     1.819     0.885 peak    73 weight  1.00000E+00 volume  1.82035E+05 ppm1      7.994 ppm2      2.685
 ASSI {  334}
   (  segid "   A" and resid 54   and name  HB# )
   (( segid "   A" and resid 54   and name  HA  ))

      3.173     1.453     0.793 peak   334 weight  1.00000E+00 volume  3.69065E+06 ppm1      4.211 ppm2      1.561
 ASSI {   70}
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 54   and name  HA  ))

      3.150     1.430     0.787 peak    70 weight  1.00000E+00 volume  3.86918E+05 ppm1      7.993 ppm2      4.202
 ASSI {   75}
   (( segid "   A" and resid 54   and name  HN  ))
   (  segid "   A" and resid 54   and name  HB# )

      3.396     1.676     0.849 peak    75 weight  1.00000E+00 volume  8.82647E+05 ppm1      7.993 ppm2      1.561
 ASSI {  354}
   (  segid "   A" and resid 54   and name  HB# )
   (( segid "   A" and resid 55   and name  HA  ))

      4.825     3.105     1.206 peak   354 weight  1.00000E+00 volume  2.95396E+05 ppm1      1.561 ppm2      4.335
 ASSI {    7}
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 55   and name  HN  ))

      3.423     1.703     0.856 peak     7 weight  1.00000E+00 volume  2.64947E+05 ppm1      7.993 ppm2      7.526
 ASSI {   45}
   (( segid "   A" and resid 54   and name  HN  ))
   (( segid "   A" and resid 56   and name  HN  ))

      4.123     2.403     1.031 peak    45 weight  1.00000E+00 volume  8.95900E+04 ppm1      7.117 ppm2      7.993
 ASSI {  832}
   (( segid "   A" and resid 55   and name  HE22))
   (( segid "   A" and resid 22   and name  HG  ))

      4.823     3.103     1.206 peak   832 weight  1.00000E+00 volume  7.43222E+04 ppm1      1.687 ppm2      8.500
 ASSI {  552}
   (( segid "   A" and resid 55   and name  HE21))
   (( segid "   A" and resid 22   and name  HA  ))

      4.425     2.705     1.106 peak   552 weight  1.00000E+00 volume  3.93586E+04 ppm1      7.355 ppm2      4.502
 ASSI {  665}
   (( segid "   A" and resid 55   and name  HE22))
   (( segid "   A" and resid 22   and name  HA  ))

      4.848     3.128     1.212 peak   665 weight  1.00000E+00 volume  2.93334E+04 ppm1      8.479 ppm2      4.500
 ASSI {  677}
   (( segid "   A" and resid 55   and name  HE21))
   (( segid "   A" and resid 26   and name  HE22))

      5.239     3.519     1.310 peak   677 weight  1.00000E+00 volume  2.80629E+04 ppm1      7.354 ppm2      7.635
 ASSI {  676}
   (( segid "   A" and resid 55   and name  HE22))
   (( segid "   A" and resid 26   and name  HE22))

      4.972     3.252     1.243 peak   676 weight  1.00000E+00 volume  2.93242E+04 ppm1      7.634 ppm2      8.482
 ASSI {  678}
   (( segid "   A" and resid 55   and name  HE22))
   (( segid "   A" and resid 26   and name  HE21))

      5.037     3.317     1.259 peak   678 weight  1.00000E+00 volume  2.96038E+04 ppm1      8.480 ppm2      8.173
 ASSI {  274}
   (( segid "   A" and resid 55   and name  HG1 ))
   (  segid "   A" and resid 51   and name  HD# )

      4.818     3.098     1.205 peak   274 weight  1.00000E+00 volume  1.73549E+05 ppm1      2.625 ppm2      0.950
 ASSI {  418}
   (( segid "   A" and resid 55   and name  HN  ))
   (( segid "   A" and resid 51   and name  HA  ))

      4.714     2.994     1.178 peak   418 weight  1.00000E+00 volume  1.04250E+05 ppm1      4.166 ppm2      7.535
 ASSI {   86}
   (( segid "   A" and resid 55   and name  HN  ))
   (  segid "   A" and resid 51   and name  HD# )

      5.245     3.525     1.311 peak    86 weight  1.00000E+00 volume  8.16024E+04 ppm1      7.532 ppm2      0.949
 ASSI {  308}
   (( segid "   A" and resid 55   and name  HB1 ))
   (( segid "   A" and resid 52   and name  HA  ))

      4.482     2.762     1.121 peak   308 weight  1.00000E+00 volume  1.30916E+05 ppm1      3.901 ppm2      1.778
 ASSI {  121}
   (( segid "   A" and resid 55   and name  HN  ))
   (( segid "   A" and resid 52   and name  HA  ))

      4.387     2.667     1.097 peak   121 weight  1.00000E+00 volume  5.50238E+04 ppm1      7.523 ppm2      3.903
 ASSI {   94}
   (( segid "   A" and resid 55   and name  HN  ))
   (( segid "   A" and resid 53   and name  HN  ))

      4.035     2.315     1.009 peak    94 weight  1.00000E+00 volume  4.17353E+04 ppm1      8.072 ppm2      7.525
 ASSI {  338}
   (( segid "   A" and resid 55   and name  HB2 ))
   (  segid "   A" and resid 54   and name  HB# )

      5.456     3.736     1.364 peak   338 weight  1.00000E+00 volume  1.54485E+05 ppm1      1.560 ppm2      2.459
 ASSI {  278}
   (( segid "   A" and resid 55   and name  HG2 ))
   (  segid "   A" and resid 54   and name  HB# )

      4.873     3.153     1.218 peak   278 weight  1.00000E+00 volume  1.46336E+05 ppm1      2.278 ppm2      1.565
 ASSI {  337}
   (( segid "   A" and resid 55   and name  HG1 ))
   (  segid "   A" and resid 54   and name  HB# )

      4.418     2.698     1.104 peak   337 weight  1.00000E+00 volume  5.01106E+05 ppm1      1.562 ppm2      2.644
 ASSI {   65}
   (( segid "   A" and resid 55   and name  HN  ))
   (( segid "   A" and resid 54   and name  HA  ))

      3.724     2.004     0.931 peak    65 weight  1.00000E+00 volume  1.54592E+05 ppm1      7.529 ppm2      4.206
 ASSI {  347}
   (( segid "   A" and resid 55   and name  HE22))
   (  segid "   A" and resid 54   and name  HB# )

      5.512     3.792     1.378 peak   347 weight  1.00000E+00 volume  1.50807E+05 ppm1      1.563 ppm2      8.485
 ASSI {   83}
   (( segid "   A" and resid 55   and name  HN  ))
   (  segid "   A" and resid 54   and name  HB# )

      4.018     2.298     1.004 peak    83 weight  1.00000E+00 volume  3.52378E+05 ppm1      7.530 ppm2      1.560
 ASSI {  291}
   (( segid "   A" and resid 55   and name  HG2 ))
   (( segid "   A" and resid 55   and name  HE21))

      4.683     2.963     1.171 peak   291 weight  1.00000E+00 volume  9.82578E+04 ppm1      2.283 ppm2      7.348
 ASSI {  286}
   (( segid "   A" and resid 55   and name  HE21))
   (( segid "   A" and resid 55   and name  HB2 ))

      4.507     2.787     1.127 peak   286 weight  1.00000E+00 volume  1.30510E+05 ppm1      2.464 ppm2      7.338
 OR {  286}
   (( segid "   A" and resid 21   and name  HD22))
   (( segid "   A" and resid 55   and name  HB2 ))
 ASSI {  262}
   (( segid "   A" and resid 55   and name  HG1 ))
   (( segid "   A" and resid 55   and name  HB1 ))

      4.148     2.428     1.037 peak   262 weight  1.00000E+00 volume  1.65732E+05 ppm1      1.771 ppm2      2.618
 ASSI {   78}
   (( segid "   A" and resid 55   and name  HG1 ))
   (( segid "   A" and resid 55   and name  HN  ))

      3.653     1.933     0.913 peak    78 weight  1.00000E+00 volume  1.57702E+05 ppm1      7.530 ppm2      2.626
 ASSI {  266}
   (( segid "   A" and resid 55   and name  HG1 ))
   (( segid "   A" and resid 55   and name  HB2 ))

      3.879     2.159     0.970 peak   266 weight  1.00000E+00 volume  2.18280E+05 ppm1      2.463 ppm2      2.622
 ASSI {  261}
   (( segid "   A" and resid 55   and name  HG2 ))
   (( segid "   A" and resid 55   and name  HB1 ))

      3.943     2.223     0.986 peak   261 weight  1.00000E+00 volume  1.51894E+05 ppm1      1.772 ppm2      2.288
 ASSI {   81}
   (( segid "   A" and resid 55   and name  HN  ))
   (( segid "   A" and resid 55   and name  HB1 ))

      3.670     1.950     0.918 peak    81 weight  1.00000E+00 volume  1.49439E+05 ppm1      7.530 ppm2      1.766
 ASSI {   63}
   (( segid "   A" and resid 55   and name  HN  ))
   (( segid "   A" and resid 55   and name  HA  ))

      3.506     1.786     0.877 peak    63 weight  1.00000E+00 volume  2.26430E+05 ppm1      7.530 ppm2      4.360
 ASSI {  271}
   (( segid "   A" and resid 55   and name  HG1 ))
   (( segid "   A" and resid 55   and name  HG2 ))

      3.408     1.688     0.852 peak   271 weight  1.00000E+00 volume  6.04480E+05 ppm1      2.626 ppm2      2.281
 ASSI {  293}
   (( segid "   A" and resid 55   and name  HG2 ))
   (( segid "   A" and resid 55   and name  HE22))

      4.561     2.841     1.140 peak   293 weight  1.00000E+00 volume  9.33069E+04 ppm1      2.287 ppm2      8.510
 ASSI {  263}
   (( segid "   A" and resid 55   and name  HB1 ))
   (( segid "   A" and resid 55   and name  HB2 ))

      4.078     2.358     1.019 peak   263 weight  1.00000E+00 volume  2.13790E+05 ppm1      1.772 ppm2      2.459
 ASSI {  288}
   (( segid "   A" and resid 55   and name  HE21))
   (( segid "   A" and resid 55   and name  HB1 ))

      4.584     2.864     1.146 peak   288 weight  1.00000E+00 volume  1.14883E+05 ppm1      1.774 ppm2      7.339
 OR {  288}
   (( segid "   A" and resid 21   and name  HD22))
   (( segid "   A" and resid 55   and name  HB1 ))
 ASSI {  294}
   (( segid "   A" and resid 55   and name  HG1 ))
   (( segid "   A" and resid 55   and name  HE21))

      4.824     3.104     1.206 peak   294 weight  1.00000E+00 volume  7.09943E+04 ppm1      2.630 ppm2      7.356
 ASSI {  269}
   (( segid "   A" and resid 55   and name  HG2 ))
   (( segid "   A" and resid 55   and name  HA  ))

      3.346     1.626     0.837 peak   269 weight  1.00000E+00 volume  7.06917E+05 ppm1      4.362 ppm2      2.279
 ASSI {  259}
   (( segid "   A" and resid 55   and name  HB2 ))
   (( segid "   A" and resid 55   and name  HA  ))

      3.619     1.899     0.905 peak   259 weight  1.00000E+00 volume  1.89157E+05 ppm1      2.457 ppm2      4.356
 ASSI {  265}
   (( segid "   A" and resid 55   and name  HG2 ))
   (( segid "   A" and resid 55   and name  HB2 ))

      3.858     2.138     0.965 peak   265 weight  1.00000E+00 volume  2.51137E+05 ppm1      2.461 ppm2      2.281
 ASSI {  267}
   (( segid "   A" and resid 55   and name  HG1 ))
   (( segid "   A" and resid 55   and name  HA  ))

      3.320     1.600     0.830 peak   267 weight  1.00000E+00 volume  7.10909E+05 ppm1      4.362 ppm2      2.621
 ASSI {  260}
   (( segid "   A" and resid 55   and name  HB1 ))
   (( segid "   A" and resid 55   and name  HA  ))

      3.769     2.049     0.942 peak   260 weight  1.00000E+00 volume  1.23575E+05 ppm1      1.772 ppm2      4.357
 ASSI {  556}
   (( segid "   A" and resid 55   and name  HE22))
   (( segid "   A" and resid 55   and name  HB2 ))

      4.478     2.758     1.120 peak   556 weight  1.00000E+00 volume  4.21124E+04 ppm1      8.486 ppm2      2.455
 ASSI {  555}
   (( segid "   A" and resid 55   and name  HE21))
   (( segid "   A" and resid 55   and name  HB1 ))

      4.424     2.704     1.106 peak   555 weight  1.00000E+00 volume  4.75663E+04 ppm1      7.355 ppm2      1.770
 ASSI {  554}
   (( segid "   A" and resid 55   and name  HE21))
   (( segid "   A" and resid 55   and name  HB2 ))

      4.551     2.831     1.138 peak   554 weight  1.00000E+00 volume  4.04125E+04 ppm1      7.359 ppm2      2.464
 ASSI {  122}
   (( segid "   A" and resid 55   and name  HE22))
   (( segid "   A" and resid 55   and name  HN  ))

      4.133     2.413     1.033 peak   122 weight  1.00000E+00 volume  7.58127E+04 ppm1      7.532 ppm2      8.489
 ASSI {  549}
   (( segid "   A" and resid 55   and name  HE22))
   (( segid "   A" and resid 55   and name  HE21))

      3.920     2.200     0.980 peak   549 weight  1.00000E+00 volume  9.05055E+04 ppm1      8.483 ppm2      7.351
 ASSI {   80}
   (( segid "   A" and resid 55   and name  HG2 ))
   (( segid "   A" and resid 55   and name  HN  ))

      3.674     1.954     0.919 peak    80 weight  1.00000E+00 volume  1.51466E+05 ppm1      7.529 ppm2      2.280
 ASSI {   88}
   (( segid "   A" and resid 55   and name  HE21))
   (( segid "   A" and resid 55   and name  HN  ))

      4.027     2.307     1.007 peak    88 weight  1.00000E+00 volume  1.05350E+05 ppm1      7.529 ppm2      7.350
 ASSI {   79}
   (( segid "   A" and resid 55   and name  HN  ))
   (( segid "   A" and resid 55   and name  HB2 ))

      3.731     2.011     0.933 peak    79 weight  1.00000E+00 volume  1.52962E+05 ppm1      7.530 ppm2      2.462
 ASSI {   85}
   (( segid "   A" and resid 55   and name  HN  ))
   (  segid "   A" and resid 56   and name  HB# )

      4.610     2.890     1.152 peak    85 weight  1.00000E+00 volume  1.54163E+05 ppm1      7.530 ppm2      1.409
 ASSI {   47}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 21   and name  HD22))

      3.992     2.272     0.998 peak    47 weight  1.00000E+00 volume  1.00128E+05 ppm1      7.118 ppm2      7.331
 ASSI {   55}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 21   and name  HB2 ))

      4.656     2.936     1.164 peak    55 weight  1.00000E+00 volume  3.50979E+04 ppm1      7.125 ppm2      2.851
 ASSI {   50}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 21   and name  HD21))

      4.326     2.606     1.082 peak    50 weight  1.00000E+00 volume  6.96811E+04 ppm1      7.117 ppm2      6.952
 ASSI {  120}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 52   and name  HA  ))

      5.104     3.384     1.276 peak   120 weight  1.00000E+00 volume  2.89423E+04 ppm1      7.120 ppm2      3.903
 ASSI {   51}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 53   and name  HA  ))

      3.704     1.984     0.926 peak    51 weight  1.00000E+00 volume  1.35509E+05 ppm1      7.120 ppm2      4.435
 ASSI {   44}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 53   and name  HN  ))

      4.813     3.093     1.203 peak    44 weight  1.00000E+00 volume  3.68698E+04 ppm1      7.121 ppm2      8.061
 ASSI {  662}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 54   and name  HA  ))

      3.977     2.257     0.994 peak   662 weight  1.00000E+00 volume  1.02661E+05 ppm1      7.115 ppm2      4.209
 ASSI {   60}
   (( segid "   A" and resid 56   and name  HN  ))
   (  segid "   A" and resid 54   and name  HB# )

      4.935     3.215     1.234 peak    60 weight  1.00000E+00 volume  1.12427E+05 ppm1      7.118 ppm2      1.560
 ASSI {   59}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 55   and name  HB1 ))

      4.447     2.727     1.112 peak    59 weight  1.00000E+00 volume  5.55736E+04 ppm1      7.118 ppm2      1.768
 ASSI {   57}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 55   and name  HG1 ))

      4.187     2.467     1.047 peak    57 weight  1.00000E+00 volume  6.66272E+04 ppm1      7.117 ppm2      2.633
 ASSI {   46}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 55   and name  HN  ))

      3.177     1.457     0.794 peak    46 weight  1.00000E+00 volume  4.38498E+05 ppm1      7.118 ppm2      7.526
 ASSI {   52}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 55   and name  HA  ))

      3.443     1.723     0.861 peak    52 weight  1.00000E+00 volume  2.27646E+05 ppm1      7.118 ppm2      4.356
 ASSI {   58}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 55   and name  HG2 ))

      4.240     2.520     1.060 peak    58 weight  1.00000E+00 volume  6.36714E+04 ppm1      7.119 ppm2      2.273
 ASSI {  124}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 55   and name  HB2 ))

      4.494     2.774     1.124 peak   124 weight  1.00000E+00 volume  4.74653E+04 ppm1      7.121 ppm2      2.464
 ASSI {   61}
   (( segid "   A" and resid 56   and name  HN  ))
   (  segid "   A" and resid 56   and name  HB# )

      3.233     1.513     0.808 peak    61 weight  1.00000E+00 volume  1.24825E+06 ppm1      7.119 ppm2      1.409
 ASSI {   55}
   (( segid "   A" and resid 56   and name  HA  ))
   (  segid "   A" and resid 56   and name  HB# )

      3.607     1.887     0.902 peak    55 weight  1.00000E+00 volume  2.21263E+06 ppm1      1.410 ppm2      4.299
 ASSI {   53}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 56   and name  HA  ))

      3.315     1.595     0.829 peak    53 weight  1.00000E+00 volume  3.10135E+05 ppm1      7.119 ppm2      4.294
 ASSI {   96}
   (( segid "   A" and resid 56   and name  HA  ))
   (( segid "   A" and resid 57   and name  HB1 ))

      5.030     3.310     1.258 peak    96 weight  1.00000E+00 volume  1.13791E+05 ppm1      4.300 ppm2      1.836
 ASSI {   54}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 57   and name  HD1 ))

      4.130     2.410     1.033 peak    54 weight  1.00000E+00 volume  8.77588E+04 ppm1      7.119 ppm2      3.590
 ASSI {  493}
   (( segid "   A" and resid 56   and name  HN  ))
   (( segid "   A" and resid 57   and name  HD2 ))

      4.136     2.416     1.034 peak   493 weight  1.00000E+00 volume  8.49336E+04 ppm1      7.119 ppm2      3.743
 ASSI {   81}
   (  segid "   A" and resid 56   and name  HB# )
   (( segid "   A" and resid 58   and name  HE1 ))

      5.524     3.804     1.381 peak    81 weight  1.00000E+00 volume  1.76138E+05 ppm1      1.409 ppm2      2.997
 ASSI {  142}
   (  segid "   A" and resid 57   and name  HG# )
   (( segid "   A" and resid 21   and name  HD21))

      4.790     3.070     1.197 peak   142 weight  1.00000E+00 volume  8.49124E+04 ppm1      2.025 ppm2      6.966
 ASSI {   83}
   (( segid "   A" and resid 57   and name  HB2 ))
   (  segid "   A" and resid 56   and name  HB# )

      5.208     3.488     1.302 peak    83 weight  1.00000E+00 volume  2.11779E+05 ppm1      1.410 ppm2      2.263
 ASSI {   57}
   (( segid "   A" and resid 57   and name  HD2 ))
   (  segid "   A" and resid 56   and name  HB# )

      3.608     1.888     0.902 peak    57 weight  1.00000E+00 volume  1.83120E+06 ppm1      1.410 ppm2      3.748
 ASSI {   95}
   (  segid "   A" and resid 57   and name  HG# )
   (( segid "   A" and resid 56   and name  HA  ))

      3.627     1.907     0.907 peak    95 weight  1.00000E+00 volume  5.02131E+05 ppm1      4.299 ppm2      2.032
 ASSI {   88}
   (( segid "   A" and resid 57   and name  HD1 ))
   (( segid "   A" and resid 56   and name  HA  ))

      3.357     1.637     0.839 peak    88 weight  1.00000E+00 volume  9.74097E+05 ppm1      4.299 ppm2      3.590
 ASSI {   85}
   (  segid "   A" and resid 57   and name  HG# )
   (  segid "   A" and resid 56   and name  HB# )

      4.186     2.466     1.047 peak    85 weight  1.00000E+00 volume  8.49932E+05 ppm1      1.410 ppm2      2.033
 ASSI {   87}
   (( segid "   A" and resid 57   and name  HD2 ))
   (( segid "   A" and resid 56   and name  HA  ))

      3.337     1.617     0.834 peak    87 weight  1.00000E+00 volume  1.01889E+06 ppm1      4.299 ppm2      3.746
 ASSI {   58}
   (( segid "   A" and resid 57   and name  HD1 ))
   (  segid "   A" and resid 56   and name  HB# )

      3.809     2.089     0.952 peak    58 weight  1.00000E+00 volume  1.62339E+06 ppm1      1.410 ppm2      3.589
 ASSI {  110}
   (( segid "   A" and resid 57   and name  HD2 ))
   (( segid "   A" and resid 57   and name  HB1 ))

      3.622     1.902     0.906 peak   110 weight  1.00000E+00 volume  5.02951E+05 ppm1      1.838 ppm2      3.751
 ASSI {  117}
   (( segid "   A" and resid 57   and name  HB1 ))
   (( segid "   A" and resid 57   and name  HA  ))

      3.197     1.477     0.799 peak   117 weight  1.00000E+00 volume  9.27979E+05 ppm1      1.839 ppm2      4.394
 ASSI {  119}
   (  segid "   A" and resid 57   and name  HG# )
   (( segid "   A" and resid 57   and name  HB1 ))

      2.898     1.178     0.724 peak   119 weight  1.00000E+00 volume  1.79260E+06 ppm1      2.029 ppm2      1.843
 ASSI {  100}
   (  segid "   A" and resid 57   and name  HG# )
   (( segid "   A" and resid 57   and name  HD2 ))

      3.061     1.341     0.765 peak   100 weight  1.00000E+00 volume  1.31272E+06 ppm1      3.745 ppm2      2.031
 ASSI {  104}
   (( segid "   A" and resid 57   and name  HB1 ))
   (( segid "   A" and resid 57   and name  HB2 ))

      2.636     0.916     0.659 peak   104 weight  1.00000E+00 volume  3.68484E+06 ppm1      2.258 ppm2      1.841
 ASSI {  109}
   (( segid "   A" and resid 57   and name  HD1 ))
   (( segid "   A" and resid 57   and name  HB2 ))

      3.847     2.127     0.962 peak   109 weight  1.00000E+00 volume  4.00021E+05 ppm1      2.259 ppm2      3.590
 ASSI {  102}
   (  segid "   A" and resid 57   and name  HG# )
   (( segid "   A" and resid 57   and name  HD1 ))

      3.057     1.337     0.764 peak   102 weight  1.00000E+00 volume  1.30689E+06 ppm1      2.031 ppm2      3.590
 ASSI {  132}
   (( segid "   A" and resid 57   and name  HD1 ))
   (( segid "   A" and resid 57   and name  HA  ))

      4.821     3.101     1.205 peak   132 weight  1.00000E+00 volume  1.13876E+05 ppm1      4.387 ppm2      3.594
 ASSI {  107}
   (( segid "   A" and resid 57   and name  HG2 ))
   (( segid "   A" and resid 57   and name  HB1 ))

      2.878     1.158     0.719 peak   107 weight  1.00000E+00 volume  2.04162E+06 ppm1      1.840 ppm2      2.029
 ASSI {  111}
   (( segid "   A" and resid 57   and name  HD1 ))
   (( segid "   A" and resid 57   and name  HB1 ))

      3.848     2.128     0.962 peak   111 weight  1.00000E+00 volume  3.81234E+05 ppm1      1.839 ppm2      3.590
 ASSI {  113}
   (  segid "   A" and resid 57   and name  HG# )
   (( segid "   A" and resid 57   and name  HA  ))

      3.560     1.840     0.890 peak   113 weight  1.00000E+00 volume  5.10377E+05 ppm1      2.027 ppm2      4.387
 ASSI {   98}
   (( segid "   A" and resid 57   and name  HD1 ))
   (( segid "   A" and resid 57   and name  HD2 ))

      2.967     1.247     0.742 peak    98 weight  1.00000E+00 volume  1.69278E+06 ppm1      3.592 ppm2      3.744
 ASSI {  133}
   (( segid "   A" and resid 57   and name  HD2 ))
   (( segid "   A" and resid 57   and name  HA  ))

      6.093     4.373     1.523 peak   133 weight  1.00000E+00 volume  1.45263E+05 ppm1      4.388 ppm2      3.749
 ASSI {  103}
   (  segid "   A" and resid 57   and name  HG# )
   (( segid "   A" and resid 57   and name  HB2 ))

      2.817     1.097     0.704 peak   103 weight  1.00000E+00 volume  2.35387E+06 ppm1      2.257 ppm2      2.028
 ASSI {  112}
   (( segid "   A" and resid 57   and name  HB2 ))
   (( segid "   A" and resid 57   and name  HA  ))

      3.070     1.350     0.767 peak   112 weight  1.00000E+00 volume  1.41987E+06 ppm1      2.256 ppm2      4.392
 ASSI {  108}
   (( segid "   A" and resid 57   and name  HD2 ))
   (( segid "   A" and resid 57   and name  HB2 ))

      3.789     2.069     0.947 peak   108 weight  1.00000E+00 volume  4.01062E+05 ppm1      2.257 ppm2      3.739
 ASSI {  143}
   (( segid "   A" and resid 58   and name  HN  ))
   (( segid "   A" and resid 57   and name  HA  ))

      3.196     1.476     0.799 peak   143 weight  1.00000E+00 volume  1.17108E+06 ppm1      4.389 ppm2      8.411
 ASSI {  131}
   (( segid "   A" and resid 58   and name  HB2 ))
   (( segid "   A" and resid 57   and name  HA  ))

      4.090     2.370     1.023 peak   131 weight  1.00000E+00 volume  2.63770E+05 ppm1      4.388 ppm2      1.725
 ASSI {  486}
   (( segid "   A" and resid 58   and name  HN  ))
   (( segid "   A" and resid 57   and name  HB2 ))

      3.490     1.770     0.873 peak   486 weight  1.00000E+00 volume  2.75513E+05 ppm1      8.422 ppm2      2.257
 ASSI {  484}
   (( segid "   A" and resid 58   and name  HN  ))
   (( segid "   A" and resid 57   and name  HD1 ))

      5.111     3.391     1.278 peak   484 weight  1.00000E+00 volume  3.25342E+04 ppm1      8.426 ppm2      3.587
 ASSI {  485}
   (( segid "   A" and resid 58   and name  HN  ))
   (( segid "   A" and resid 57   and name  HD2 ))

      4.442     2.722     1.111 peak   485 weight  1.00000E+00 volume  3.97246E+04 ppm1      8.421 ppm2      3.751
 ASSI {  487}
   (( segid "   A" and resid 58   and name  HN  ))
   (  segid "   A" and resid 57   and name  HG# )

      3.960     2.240     0.990 peak   487 weight  1.00000E+00 volume  1.19616E+05 ppm1      8.421 ppm2      2.033
 ASSI { 1347}
   (( segid "   A" and resid 58   and name  HA  ))
   (( segid "   A" and resid 58   and name  HG2 ))

      3.854     2.134     0.964 peak  1347 weight  1.00000E+00 volume  3.82284E+05 ppm1      1.449 ppm2      4.384
 ASSI { 1360}
   (( segid "   A" and resid 58   and name  HG2 ))
   (  segid "   A" and resid 58   and name  HD# )

      2.886     1.166     0.721 peak  1360 weight  1.00000E+00 volume  2.05199E+06 ppm1      1.448 ppm2      1.659
 ASSI { 1353}
   (( segid "   A" and resid 58   and name  HA  ))
   (  segid "   A" and resid 58   and name  HD# )

      3.643     1.923     0.911 peak  1353 weight  1.00000E+00 volume  6.16582E+05 ppm1      1.659 ppm2      4.386
 ASSI { 1351}
   (( segid "   A" and resid 58   and name  HB1 ))
   (( segid "   A" and resid 58   and name  HG2 ))

      3.182     1.462     0.796 peak  1351 weight  1.00000E+00 volume  1.05311E+06 ppm1      1.447 ppm2      1.827
 ASSI {  483}
   (( segid "   A" and resid 58   and name  HN  ))
   (( segid "   A" and resid 58   and name  HA  ))

      2.719     0.999     0.680 peak   483 weight  1.00000E+00 volume  1.20064E+06 ppm1      8.421 ppm2      4.388
 ASSI { 1364}
   (( segid "   A" and resid 58   and name  HN  ))
   (( segid "   A" and resid 58   and name  HB1 ))

      3.429     1.709     0.857 peak  1364 weight  1.00000E+00 volume  5.50757E+05 ppm1      1.827 ppm2      8.407
 ASSI {  252}
   (( segid "   A" and resid 58   and name  HA  ))
   (( segid "   A" and resid 58   and name  HB2 ))

      3.502     1.782     0.875 peak   252 weight  1.00000E+00 volume  5.82284E+05 ppm1      4.386 ppm2      1.713
 ASSI { 1358}
   (( segid "   A" and resid 58   and name  HB1 ))
   (  segid "   A" and resid 58   and name  HE# )

      4.039     2.319     1.010 peak  1358 weight  1.00000E+00 volume  2.20820E+05 ppm1      3.001 ppm2      1.833
 ASSI {  489}
   (( segid "   A" and resid 58   and name  HN  ))
   (( segid "   A" and resid 58   and name  HB2 ))

      3.194     1.474     0.798 peak   489 weight  1.00000E+00 volume  4.72510E+05 ppm1      8.421 ppm2      1.724
 ASSI {  256}
   (( segid "   A" and resid 58   and name  HB1 ))
   (  segid "   A" and resid 58   and name  HG# )

      2.975     1.255     0.744 peak   256 weight  1.00000E+00 volume  1.54850E+06 ppm1      1.832 ppm2      1.422
 ASSI { 1352}
   (( segid "   A" and resid 58   and name  HB1 ))
   (( segid "   A" and resid 58   and name  HG1 ))

      2.955     1.235     0.739 peak  1352 weight  1.00000E+00 volume  1.62929E+06 ppm1      1.406 ppm2      1.830
 ASSI {  251}
   (( segid "   A" and resid 58   and name  HA  ))
   (( segid "   A" and resid 58   and name  HB1 ))

      3.393     1.673     0.848 peak   251 weight  1.00000E+00 volume  6.82869E+05 ppm1      4.386 ppm2      1.831
 ASSI { 1349}
   (  segid "   A" and resid 58   and name  HG# )
   (  segid "   A" and resid 58   and name  HE# )

      3.186     1.466     0.797 peak  1349 weight  1.00000E+00 volume  4.93448E+05 ppm1      1.446 ppm2      2.995
 ASSI { 1348}
   (( segid "   A" and resid 58   and name  HA  ))
   (( segid "   A" and resid 58   and name  HG1 ))

      3.806     2.086     0.951 peak  1348 weight  1.00000E+00 volume  3.78467E+05 ppm1      1.404 ppm2      4.384
 ASSI { 1346}
   (( segid "   A" and resid 58   and name  HA  ))
   (  segid "   A" and resid 58   and name  HG# )

      4.074     2.354     1.019 peak  1346 weight  1.00000E+00 volume  3.05253E+05 ppm1      4.386 ppm2      1.425
 ASSI { 1354}
   (( segid "   A" and resid 58   and name  HA  ))
   (  segid "   A" and resid 58   and name  HE# )

      4.907     3.187     1.227 peak  1354 weight  1.00000E+00 volume  1.31533E+05 ppm1      3.005 ppm2      4.367
 ASSI {  257}
   (( segid "   A" and resid 58   and name  HB1 ))
   (( segid "   A" and resid 58   and name  HB2 ))

      2.412     0.692     0.603 peak   257 weight  1.00000E+00 volume  4.93188E+06 ppm1      1.728 ppm2      1.827
 ASSI {  255}
   (( segid "   A" and resid 58   and name  HB2 ))
   (  segid "   A" and resid 58   and name  HG# )

      3.051     1.331     0.763 peak   255 weight  1.00000E+00 volume  1.22481E+06 ppm1      1.725 ppm2      1.426
 ASSI { 1355}
   (  segid "   A" and resid 58   and name  HE# )
   (  segid "   A" and resid 58   and name  HD# )

      2.712     0.992     0.678 peak  1355 weight  1.00000E+00 volume  3.54666E+06 ppm1      1.651 ppm2      2.994
 ASSI { 1359}
   (( segid "   A" and resid 58   and name  HG1 ))
   (  segid "   A" and resid 58   and name  HD# )

      2.528     0.808     0.632 peak  1359 weight  1.00000E+00 volume  4.10194E+06 ppm1      1.403 ppm2      1.662
 ASSI {  488}
   (( segid "   A" and resid 58   and name  HN  ))
   (( segid "   A" and resid 58   and name  HB1 ))

      3.137     1.417     0.784 peak   488 weight  1.00000E+00 volume  5.37946E+05 ppm1      8.421 ppm2      1.835
 OR {  488}
   (( segid "   A" and resid 58   and name  HN  ))
   (( segid "   A" and resid 57   and name  HB1 ))
 ASSI {  490}
   (( segid "   A" and resid 58   and name  HN  ))
   (  segid "   A" and resid 58   and name  HG# )

      3.468     1.748     0.867 peak   490 weight  1.00000E+00 volume  2.10506E+05 ppm1      8.422 ppm2      1.411

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    VAL   1           H        VAL   1   5.874  20.020  -3.898
    2    HA   VAL   1           HA       VAL   1   4.432  19.764  -2.026
    3    HB   VAL   1           HB       VAL   1   7.354  19.394  -1.244
    4   HG11  VAL   1          HG11      VAL   1   6.513  17.597   0.213
    5   HG12  VAL   1          HG12      VAL   1   4.857  17.951  -0.280
    6   HG13  VAL   1          HG13      VAL   1   5.770  19.131   0.658
    7   HG21  VAL   1          HG21      VAL   1   6.964  17.060  -2.128
    8   HG22  VAL   1          HG22      VAL   1   6.927  18.307  -3.374
    9   HG23  VAL   1          HG23      VAL   1   5.420  17.617  -2.773
   10    H    ASP   2           H        ASP   2   3.471  21.681  -1.281
   11    HA   ASP   2           HA       ASP   2   4.851  23.705   0.166
   12    HB2  ASP   2           HB2      ASP   2   2.672  24.069  -0.970
   13    HB3  ASP   2           HB3      ASP   2   1.894  23.016   0.206
   14    H    ASN   3           H        ASN   3   2.368  21.443   1.409
   15    HA   ASN   3           HA       ASN   3   3.534  21.618   4.093
   16    HB2  ASN   3           HB2      ASN   3   1.038  20.181   3.133
   17    HB3  ASN   3           HB3      ASN   3   1.521  20.411   4.812
   18   HD21  ASN   3          HD21      ASN   3   2.184  23.040   5.050
   19   HD22  ASN   3          HD22      ASN   3   0.919  24.054   4.543
   20    H    LYS   4           H        LYS   4   2.383  18.955   1.992
   21    HA   LYS   4           HA       LYS   4   4.751  17.430   2.083
   22    HB2  LYS   4           HB2      LYS   4   4.030  17.249   4.522
   23    HB3  LYS   4           HB3      LYS   4   2.635  16.342   3.955
   24    HG2  LYS   4           HG2      LYS   4   4.075  14.642   2.967
   25    HG3  LYS   4           HG3      LYS   4   5.514  15.593   3.340
   26    HD2  LYS   4           HD2      LYS   4   4.864  15.417   5.793
   27    HD3  LYS   4           HD3      LYS   4   3.633  14.251   5.307
   28    HE2  LYS   4           HE2      LYS   4   5.343  12.784   4.354
   29    HE3  LYS   4           HE3      LYS   4   6.597  13.971   4.717
   30    HZ1  LYS   4           HZ1      LYS   4   4.876  12.613   6.723
   31    HZ2  LYS   4           HZ2      LYS   4   6.095  13.741   7.065
   32    HZ3  LYS   4           HZ3      LYS   4   6.500  12.232   6.396
   33    H    PHE   5           H        PHE   5   4.550  15.437   0.919
   34    HA   PHE   5           HA       PHE   5   2.359  15.432  -0.963
   35    HB2  PHE   5           HB2      PHE   5   3.626  13.445  -1.953
   36    HB3  PHE   5           HB3      PHE   5   4.454  14.995  -1.953
   37    HD1  PHE   5           HD1      PHE   5   6.253  15.467  -0.292
   38    HD2  PHE   5           HD2      PHE   5   4.445  11.580  -0.618
   39    HE1  PHE   5           HE1      PHE   5   8.138  14.484   0.978
   40    HE2  PHE   5           HE2      PHE   5   6.334  10.599   0.651
   41    HZ   PHE   5           HZ       PHE   5   8.180  12.052   1.448
   42    H    ASN   6           H        ASN   6   1.048  15.048   1.213
   43    HA   ASN   6           HA       ASN   6   0.754  12.387   2.169
   44    HB2  ASN   6           HB2      ASN   6  -1.318  14.599   2.158
   45    HB3  ASN   6           HB3      ASN   6  -1.297  13.179   3.199
   46   HD21  ASN   6          HD21      ASN   6   1.696  13.368   3.601
   47   HD22  ASN   6          HD22      ASN   6   1.919  14.686   4.649
   48    H    LYS   7           H        LYS   7  -0.578  14.093  -0.582
   49    HA   LYS   7           HA       LYS   7  -2.840  12.577  -1.152
   50    HB2  LYS   7           HB2      LYS   7  -0.928  14.032  -2.964
   51    HB3  LYS   7           HB3      LYS   7  -2.416  13.271  -3.544
   52    HG2  LYS   7           HG2      LYS   7  -3.671  14.559  -1.778
   53    HG3  LYS   7           HG3      LYS   7  -2.177  15.428  -1.429
   54    HD2  LYS   7           HD2      LYS   7  -2.097  16.287  -3.701
   55    HD3  LYS   7           HD3      LYS   7  -3.517  15.337  -4.148
   56    HE2  LYS   7           HE2      LYS   7  -4.769  16.531  -2.305
   57    HE3  LYS   7           HE3      LYS   7  -3.382  17.612  -2.156
   58    HZ1  LYS   7           HZ1      LYS   7  -4.963  18.610  -3.623
   59    HZ2  LYS   7           HZ2      LYS   7  -5.076  17.202  -4.561
   60    HZ3  LYS   7           HZ3      LYS   7  -3.637  18.106  -4.557
   61    H    GLU   8           H        GLU   8   0.553  11.914  -1.963
   62    HA   GLU   8           HA       GLU   8   0.128   9.746  -3.724
   63    HB2  GLU   8           HB2      GLU   8   2.453  10.330  -1.862
   64    HB3  GLU   8           HB3      GLU   8   2.476   9.107  -3.129
   65    HG2  GLU   8           HG2      GLU   8   2.069  12.091  -3.542
   66    HG3  GLU   8           HG3      GLU   8   3.530  11.193  -3.917
   67    H    MET   9           H        MET   9   0.445   9.911  -0.203
   68    HA   MET   9           HA       MET   9   0.465   7.111   0.287
   69    HB2  MET   9           HB2      MET   9  -0.310   9.460   2.035
   70    HB3  MET   9           HB3      MET   9  -0.209   7.799   2.617
   71    HG2  MET   9           HG2      MET   9   2.090   7.719   2.425
   72    HG3  MET   9           HG3      MET   9   2.132   8.886   1.106
   73    HE1  MET   9           HE1      MET   9   4.105   9.542   2.101
   74    HE2  MET   9           HE2      MET   9   4.295  10.767   3.368
   75    HE3  MET   9           HE3      MET   9   3.540  11.197   1.832
   76    H    ARG  10           H        ARG  10  -2.125   9.516   0.067
   77    HA   ARG  10           HA       ARG  10  -4.283   7.962   0.966
   78    HB2  ARG  10           HB2      ARG  10  -4.328  10.421   0.520
   79    HB3  ARG  10           HB3      ARG  10  -4.313  10.078  -1.207
   80    HG2  ARG  10           HG2      ARG  10  -6.433   8.780  -0.938
   81    HG3  ARG  10           HG3      ARG  10  -6.460   9.228   0.768
   82    HD2  ARG  10           HD2      ARG  10  -6.466  11.198  -1.543
   83    HD3  ARG  10           HD3      ARG  10  -7.891  10.720  -0.627
   84    HE   ARG  10           HE       ARG  10  -5.953  11.643   1.193
   85   HH11  ARG  10          HH11      ARG  10  -7.967  12.835  -1.376
   86   HH12  ARG  10          HH12      ARG  10  -8.068  14.435  -0.724
   87   HH21  ARG  10          HH21      ARG  10  -6.095  13.734   2.028
   88   HH22  ARG  10          HH22      ARG  10  -7.013  14.942   1.194
   89    H    ASN  11           H        ASN  11  -2.930   8.348  -2.301
   90    HA   ASN  11           HA       ASN  11  -4.790   6.719  -3.670
   91    HB2  ASN  11           HB2      ASN  11  -1.890   7.305  -4.334
   92    HB3  ASN  11           HB3      ASN  11  -3.062   6.599  -5.443
   93   HD21  ASN  11          HD21      ASN  11  -1.583   9.396  -5.193
   94   HD22  ASN  11          HD22      ASN  11  -2.841  10.493  -5.496
   95    H    ALA  12           H        ALA  12  -1.526   5.920  -2.404
   96    HA   ALA  12           HA       ALA  12  -1.685   3.164  -3.105
   97    HB1  ALA  12           HB1      ALA  12   0.300   2.873  -1.677
   98    HB2  ALA  12           HB2      ALA  12   0.074   4.498  -1.024
   99    HB3  ALA  12           HB3      ALA  12   0.478   4.279  -2.726
  100    H    TYR  13           H        TYR  13  -2.768   4.984  -0.319
  101    HA   TYR  13           HA       TYR  13  -3.017   2.934   1.585
  102    HB2  TYR  13           HB2      TYR  13  -3.280   5.349   2.079
  103    HB3  TYR  13           HB3      TYR  13  -4.790   5.368   1.185
  104    HD1  TYR  13           HD1      TYR  13  -6.749   3.993   2.027
  105    HD2  TYR  13           HD2      TYR  13  -3.170   4.570   4.338
  106    HE1  TYR  13           HE1      TYR  13  -7.964   3.319   4.077
  107    HE2  TYR  13           HE2      TYR  13  -4.391   3.892   6.387
  108    HH   TYR  13           HH       TYR  13  -6.943   2.226   6.541
  109    H    TRP  14           H        TRP  14  -5.686   4.317  -0.374
  110    HA   TRP  14           HA       TRP  14  -7.404   2.103   0.194
  111    HB2  TRP  14           HB2      TRP  14  -7.603   4.476  -1.633
  112    HB3  TRP  14           HB3      TRP  14  -8.766   3.160  -1.748
  113    HD1  TRP  14           HD1      TRP  14  -9.328   2.394   1.157
  114    HE1  TRP  14           HE1      TRP  14 -10.448   4.030   2.801
  115    HE3  TRP  14           HE3      TRP  14  -8.301   6.831  -1.164
  116    HZ2  TRP  14           HZ2      TRP  14 -10.864   6.838   3.095
  117    HZ3  TRP  14           HZ3      TRP  14  -9.081   8.966  -0.180
  118    HH2  TRP  14           HH2      TRP  14 -10.358   8.979   1.944
  119    H    GLU  15           H        GLU  15  -5.312   2.860  -2.596
  120    HA   GLU  15           HA       GLU  15  -6.369   0.978  -4.394
  121    HB2  GLU  15           HB2      GLU  15  -4.684   2.705  -5.011
  122    HB3  GLU  15           HB3      GLU  15  -3.450   1.766  -4.168
  123    HG2  GLU  15           HG2      GLU  15  -3.937  -0.174  -5.661
  124    HG3  GLU  15           HG3      GLU  15  -5.127   0.797  -6.516
  125    H    ILE  16           H        ILE  16  -3.945   0.556  -1.830
  126    HA   ILE  16           HA       ILE  16  -3.388  -2.188  -2.448
  127    HB   ILE  16           HB       ILE  16  -2.963  -0.567   0.083
  128   HG12  ILE  16          HG12      ILE  16  -0.960  -1.555  -1.973
  129   HG13  ILE  16          HG13      ILE  16  -1.686   0.043  -2.039
  130   HG21  ILE  16          HG21      ILE  16  -1.303  -2.498   0.570
  131   HG22  ILE  16          HG22      ILE  16  -2.225  -3.420  -0.616
  132   HG23  ILE  16          HG23      ILE  16  -3.014  -2.821   0.841
  133   HD11  ILE  16          HD11      ILE  16  -0.847   0.336   0.385
  134   HD12  ILE  16          HD12      ILE  16   0.367   0.365  -0.893
  135   HD13  ILE  16          HD13      ILE  16   0.147  -1.088   0.079
  136    H    ALA  17           H        ALA  17  -5.521  -0.526  -0.133
  137    HA   ALA  17           HA       ALA  17  -6.547  -2.768   1.204
  138    HB1  ALA  17           HB1      ALA  17  -8.332  -1.343   1.926
  139    HB2  ALA  17           HB2      ALA  17  -8.119  -0.272   0.541
  140    HB3  ALA  17           HB3      ALA  17  -6.891  -0.333   1.806
  141    H    LEU  18           H        LEU  18  -7.292  -1.466  -1.950
  142    HA   LEU  18           HA       LEU  18  -9.802  -2.626  -2.410
  143    HB2  LEU  18           HB2      LEU  18  -8.715  -0.884  -3.838
  144    HB3  LEU  18           HB3      LEU  18  -7.628  -2.123  -4.458
  145    HG   LEU  18           HG       LEU  18  -9.680  -3.428  -5.199
  146   HD11  LEU  18          HD11      LEU  18 -11.438  -2.529  -3.874
  147   HD12  LEU  18          HD12      LEU  18 -11.743  -1.909  -5.493
  148   HD13  LEU  18          HD13      LEU  18 -11.005  -0.867  -4.276
  149   HD21  LEU  18          HD21      LEU  18 -10.087  -1.982  -7.176
  150   HD22  LEU  18          HD22      LEU  18  -8.370  -2.083  -6.789
  151   HD23  LEU  18          HD23      LEU  18  -9.289  -0.643  -6.351
  152    H    LEU  19           H        LEU  19  -6.528  -4.020  -2.807
  153    HA   LEU  19           HA       LEU  19  -7.394  -6.352  -4.201
  154    HB2  LEU  19           HB2      LEU  19  -4.962  -5.865  -2.481
  155    HB3  LEU  19           HB3      LEU  19  -5.215  -7.340  -3.397
  156    HG   LEU  19           HG       LEU  19  -3.849  -6.045  -4.816
  157   HD11  LEU  19          HD11      LEU  19  -6.487  -5.058  -5.864
  158   HD12  LEU  19          HD12      LEU  19  -6.119  -6.782  -5.867
  159   HD13  LEU  19          HD13      LEU  19  -5.089  -5.661  -6.755
  160   HD21  LEU  19          HD21      LEU  19  -5.554  -3.594  -4.450
  161   HD22  LEU  19          HD22      LEU  19  -3.922  -3.711  -5.107
  162   HD23  LEU  19          HD23      LEU  19  -4.196  -3.958  -3.384
  163    HA   PRO  20           HA       PRO  20  -9.271  -8.255  -0.559
  164    HB2  PRO  20           HB2      PRO  20 -10.762 -10.071  -1.799
  165    HB3  PRO  20           HB3      PRO  20 -11.072  -8.339  -2.050
  166    HG2  PRO  20           HG2      PRO  20  -9.588 -10.258  -3.801
  167    HG3  PRO  20           HG3      PRO  20 -10.805  -9.051  -4.245
  168    HD2  PRO  20           HD2      PRO  20  -8.065  -8.640  -4.430
  169    HD3  PRO  20           HD3      PRO  20  -9.274  -7.343  -4.305
  170    H    ASN  21           H        ASN  21  -6.903  -9.802  -2.567
  171    HA   ASN  21           HA       ASN  21  -7.112 -12.339  -1.095
  172    HB2  ASN  21           HB2      ASN  21  -5.507 -13.185  -2.782
  173    HB3  ASN  21           HB3      ASN  21  -6.987 -12.549  -3.493
  174   HD21  ASN  21          HD21      ASN  21  -5.354 -12.477  -5.427
  175   HD22  ASN  21          HD22      ASN  21  -4.495 -11.023  -5.612
  176    H    LEU  22           H        LEU  22  -5.493  -9.458  -0.638
  177    HA   LEU  22           HA       LEU  22  -2.919 -10.526   0.099
  178    HB2  LEU  22           HB2      LEU  22  -4.172  -7.898   0.938
  179    HB3  LEU  22           HB3      LEU  22  -2.482  -8.361   1.151
  180    HG   LEU  22           HG       LEU  22  -3.749  -8.315  -1.587
  181   HD11  LEU  22          HD11      LEU  22  -2.851  -6.033  -1.855
  182   HD12  LEU  22          HD12      LEU  22  -2.299  -6.042  -0.181
  183   HD13  LEU  22          HD13      LEU  22  -4.024  -6.067  -0.539
  184   HD21  LEU  22          HD21      LEU  22  -1.343  -7.932  -2.212
  185   HD22  LEU  22          HD22      LEU  22  -1.618  -9.475  -1.415
  186   HD23  LEU  22          HD23      LEU  22  -0.910  -8.132  -0.514
  187    H    ASN  23           H        ASN  23  -2.286 -11.366   1.977
  188    HA   ASN  23           HA       ASN  23  -4.082 -12.356   3.883
  189    HB2  ASN  23           HB2      ASN  23  -1.703 -13.099   3.629
  190    HB3  ASN  23           HB3      ASN  23  -1.197 -11.609   4.422
  191   HD21  ASN  23          HD21      ASN  23  -3.073 -14.611   4.960
  192   HD22  ASN  23          HD22      ASN  23  -2.945 -14.568   6.653
  193    H    ASN  24           H        ASN  24  -4.747 -11.669   5.943
  194    HA   ASN  24           HA       ASN  24  -5.487  -9.024   6.296
  195    HB2  ASN  24           HB2      ASN  24  -5.007 -11.140   8.410
  196    HB3  ASN  24           HB3      ASN  24  -5.875  -9.630   8.683
  197   HD21  ASN  24          HD21      ASN  24  -8.074  -9.540   8.026
  198   HD22  ASN  24          HD22      ASN  24  -8.865 -10.814   7.227
  199    H    GLN  25           H        GLN  25  -2.567 -10.635   7.526
  200    HA   GLN  25           HA       GLN  25  -1.641  -8.430   9.086
  201    HB2  GLN  25           HB2      GLN  25  -0.158 -10.789   7.890
  202    HB3  GLN  25           HB3      GLN  25   0.551  -9.642   9.026
  203    HG2  GLN  25           HG2      GLN  25  -1.217 -10.215  10.680
  204    HG3  GLN  25           HG3      GLN  25  -1.863 -11.407   9.554
  205   HE21  GLN  25          HE21      GLN  25  -0.850 -13.464   9.501
  206   HE22  GLN  25          HE22      GLN  25   0.537 -13.850  10.398
  207    H    GLN  26           H        GLN  26  -0.974  -9.526   5.775
  208    HA   GLN  26           HA       GLN  26   1.044  -7.646   5.164
  209    HB2  GLN  26           HB2      GLN  26  -0.887  -9.121   3.359
  210    HB3  GLN  26           HB3      GLN  26   0.487  -8.178   2.782
  211    HG2  GLN  26           HG2      GLN  26   2.034  -9.610   4.048
  212    HG3  GLN  26           HG3      GLN  26   0.680 -10.535   4.692
  213   HE21  GLN  26          HE21      GLN  26  -0.906 -11.102   2.543
  214   HE22  GLN  26          HE22      GLN  26  -0.039 -11.920   1.332
  215    H    LYS  27           H        LYS  27  -2.491  -7.530   4.666
  216    HA   LYS  27           HA       LYS  27  -2.625  -5.157   3.182
  217    HB2  LYS  27           HB2      LYS  27  -4.520  -6.741   3.609
  218    HB3  LYS  27           HB3      LYS  27  -4.651  -6.080   5.237
  219    HG2  LYS  27           HG2      LYS  27  -4.974  -3.799   4.229
  220    HG3  LYS  27           HG3      LYS  27  -4.991  -4.548   2.635
  221    HD2  LYS  27           HD2      LYS  27  -6.887  -5.394   4.845
  222    HD3  LYS  27           HD3      LYS  27  -7.280  -4.103   3.713
  223    HE2  LYS  27           HE2      LYS  27  -6.532  -6.926   2.874
  224    HE3  LYS  27           HE3      LYS  27  -8.186  -6.339   3.022
  225    HZ1  LYS  27           HZ1      LYS  27  -7.818  -4.742   1.330
  226    HZ2  LYS  27           HZ2      LYS  27  -7.231  -6.221   0.735
  227    HZ3  LYS  27           HZ3      LYS  27  -6.146  -5.044   1.304
  228    H    ARG  28           H        ARG  28  -2.772  -5.594   6.713
  229    HA   ARG  28           HA       ARG  28  -2.915  -2.786   7.296
  230    HB2  ARG  28           HB2      ARG  28  -2.185  -5.158   9.040
  231    HB3  ARG  28           HB3      ARG  28  -2.444  -3.518   9.636
  232    HG2  ARG  28           HG2      ARG  28  -4.759  -3.573   8.701
  233    HG3  ARG  28           HG3      ARG  28  -4.495  -5.246   8.204
  234    HD2  ARG  28           HD2      ARG  28  -3.993  -5.802  10.613
  235    HD3  ARG  28           HD3      ARG  28  -4.483  -4.162  11.038
  236    HE   ARG  28           HE       ARG  28  -6.553  -5.316   9.526
  237   HH11  ARG  28          HH11      ARG  28  -4.973  -5.735  12.594
  238   HH12  ARG  28          HH12      ARG  28  -6.376  -6.387  13.371
  239   HH21  ARG  28          HH21      ARG  28  -8.372  -6.167  10.555
  240   HH22  ARG  28          HH22      ARG  28  -8.292  -6.630  12.220
  241    H    ALA  29           H        ALA  29  -0.330  -5.175   7.036
  242    HA   ALA  29           HA       ALA  29   1.767  -3.755   8.221
  243    HB1  ALA  29           HB1      ALA  29   3.241  -5.205   6.783
  244    HB2  ALA  29           HB2      ALA  29   1.778  -5.802   6.000
  245    HB3  ALA  29           HB3      ALA  29   2.033  -6.081   7.722
  246    H    PHE  30           H        PHE  30   1.064  -3.962   4.681
  247    HA   PHE  30           HA       PHE  30   3.069  -2.134   3.935
  248    HB2  PHE  30           HB2      PHE  30   0.589  -3.135   2.586
  249    HB3  PHE  30           HB3      PHE  30   1.509  -1.824   1.853
  250    HD1  PHE  30           HD1      PHE  30   3.812  -2.158   1.086
  251    HD2  PHE  30           HD2      PHE  30   1.579  -5.392   2.809
  252    HE1  PHE  30           HE1      PHE  30   5.505  -3.765   0.264
  253    HE2  PHE  30           HE2      PHE  30   3.266  -6.997   1.990
  254    HZ   PHE  30           HZ       PHE  30   5.235  -6.188   0.710
  255    H    ILE  31           H        ILE  31  -0.392  -1.509   4.612
  256    HA   ILE  31           HA       ILE  31  -0.352   1.234   3.986
  257    HB   ILE  31           HB       ILE  31  -2.116  -0.369   5.851
  258   HG12  ILE  31          HG12      ILE  31  -2.518   0.900   3.109
  259   HG13  ILE  31          HG13      ILE  31  -2.287  -0.816   3.419
  260   HG21  ILE  31          HG21      ILE  31  -2.150   1.885   6.742
  261   HG22  ILE  31          HG22      ILE  31  -3.620   1.669   5.798
  262   HG23  ILE  31          HG23      ILE  31  -2.266   2.576   5.123
  263   HD11  ILE  31          HD11      ILE  31  -4.569   0.665   4.730
  264   HD12  ILE  31          HD12      ILE  31  -4.418  -1.058   4.384
  265   HD13  ILE  31          HD13      ILE  31  -4.716   0.086   3.072
  266    H    ARG  32           H        ARG  32   0.518  -0.458   6.989
  267    HA   ARG  32           HA       ARG  32   0.989   1.983   8.471
  268    HB2  ARG  32           HB2      ARG  32   1.736  -0.907   8.977
  269    HB3  ARG  32           HB3      ARG  32   2.197   0.403  10.064
  270    HG2  ARG  32           HG2      ARG  32  -0.198   1.018  10.319
  271    HG3  ARG  32           HG3      ARG  32  -0.647  -0.328   9.275
  272    HD2  ARG  32           HD2      ARG  32   0.488  -1.882  10.891
  273    HD3  ARG  32           HD3      ARG  32   0.760  -0.505  11.958
  274    HE   ARG  32           HE       ARG  32  -1.993  -0.650  11.293
  275   HH11  ARG  32          HH11      ARG  32   0.437  -2.315  13.140
  276   HH12  ARG  32          HH12      ARG  32  -0.688  -2.932  14.302
  277   HH21  ARG  32          HH21      ARG  32  -3.446  -1.463  12.816
  278   HH22  ARG  32          HH22      ARG  32  -2.876  -2.452  14.118
  279    H    SER  33           H        SER  33   2.850  -0.180   6.432
  280    HA   SER  33           HA       SER  33   5.459   0.615   7.080
  281    HB2  SER  33           HB2      SER  33   4.817  -1.325   5.598
  282    HB3  SER  33           HB3      SER  33   4.518  -0.165   4.312
  283    HG   SER  33           HG       SER  33   6.786   0.569   4.990
  284    H    LEU  34           H        LEU  34   3.029   2.147   5.015
  285    HA   LEU  34           HA       LEU  34   4.606   3.960   3.591
  286    HB2  LEU  34           HB2      LEU  34   1.788   3.903   4.519
  287    HB3  LEU  34           HB3      LEU  34   2.425   5.504   4.186
  288    HG   LEU  34           HG       LEU  34   1.336   4.540   2.201
  289   HD11  LEU  34          HD11      LEU  34   2.973   5.203   0.655
  290   HD12  LEU  34          HD12      LEU  34   4.295   4.552   1.620
  291   HD13  LEU  34          HD13      LEU  34   3.478   6.032   2.130
  292   HD21  LEU  34          HD21      LEU  34   3.475   2.393   2.414
  293   HD22  LEU  34          HD22      LEU  34   2.354   2.582   1.070
  294   HD23  LEU  34          HD23      LEU  34   1.749   2.158   2.670
  295    H    TYR  35           H        TYR  35   3.155   4.366   6.815
  296    HA   TYR  35           HA       TYR  35   4.264   6.912   7.366
  297    HB2  TYR  35           HB2      TYR  35   2.353   5.885   8.612
  298    HB3  TYR  35           HB3      TYR  35   3.483   4.752   9.351
  299    HD1  TYR  35           HD1      TYR  35   2.524   8.331   9.093
  300    HD2  TYR  35           HD2      TYR  35   5.002   5.451  11.108
  301    HE1  TYR  35           HE1      TYR  35   3.097  10.023  10.812
  302    HE2  TYR  35           HE2      TYR  35   5.574   7.147  12.824
  303    HH   TYR  35           HH       TYR  35   5.464  10.117  12.578
  304    H    ASP  36           H        ASP  36   5.401   3.605   7.936
  305    HA   ASP  36           HA       ASP  36   7.618   4.176   9.566
  306    HB2  ASP  36           HB2      ASP  36   6.689   1.898   9.127
  307    HB3  ASP  36           HB3      ASP  36   7.421   1.948   7.526
  308    H    ASP  37           H        ASP  37   7.324   4.202   6.018
  309    HA   ASP  37           HA       ASP  37   9.670   5.886   5.813
  310    HB2  ASP  37           HB2      ASP  37  10.085   3.110   5.663
  311    HB3  ASP  37           HB3      ASP  37  10.118   3.653   3.990
  312    HA   PRO  38           HA       PRO  38   6.279   6.853   2.783
  313    HB2  PRO  38           HB2      PRO  38   7.712   9.466   2.956
  314    HB3  PRO  38           HB3      PRO  38   5.977   9.120   3.044
  315    HG2  PRO  38           HG2      PRO  38   7.375   9.764   5.212
  316    HG3  PRO  38           HG3      PRO  38   6.057   8.582   5.274
  317    HD2  PRO  38           HD2      PRO  38   9.010   8.113   5.337
  318    HD3  PRO  38           HD3      PRO  38   7.706   7.220   6.149
  319    H    SER  39           H        SER  39   9.744   7.287   2.709
  320    HA   SER  39           HA       SER  39  10.122   8.150   0.064
  321    HB2  SER  39           HB2      SER  39  12.405   7.421   0.320
  322    HB3  SER  39           HB3      SER  39  11.870   8.081   1.863
  323    HG   SER  39           HG       SER  39  11.971   6.140   2.730
  324    H    GLN  40           H        GLN  40   9.473   4.941   1.370
  325    HA   GLN  40           HA       GLN  40  10.034   3.649  -1.201
  326    HB2  GLN  40           HB2      GLN  40   8.970   2.372   1.328
  327    HB3  GLN  40           HB3      GLN  40   9.728   1.567  -0.040
  328    HG2  GLN  40           HG2      GLN  40  11.091   3.513   1.852
  329    HG3  GLN  40           HG3      GLN  40  11.310   1.768   1.837
  330   HE21  GLN  40          HE21      GLN  40  12.788   4.564   0.823
  331   HE22  GLN  40          HE22      GLN  40  13.651   3.953  -0.508
  332    H    SER  41           H        SER  41   7.528   5.457  -0.273
  333    HA   SER  41           HA       SER  41   5.163   4.104  -0.329
  334    HB2  SER  41           HB2      SER  41   4.260   6.086  -1.672
  335    HB3  SER  41           HB3      SER  41   5.045   6.448  -0.141
  336    HG   SER  41           HG       SER  41   6.773   7.218  -1.197
  337    H    ALA  42           H        ALA  42   6.933   5.085  -3.271
  338    HA   ALA  42           HA       ALA  42   5.131   3.941  -5.122
  339    HB1  ALA  42           HB1      ALA  42   8.115   4.395  -5.420
  340    HB2  ALA  42           HB2      ALA  42   6.862   5.592  -5.743
  341    HB3  ALA  42           HB3      ALA  42   6.970   4.140  -6.737
  342    H    ASN  43           H        ASN  43   7.973   2.631  -3.465
  343    HA   ASN  43           HA       ASN  43   8.032   0.148  -4.890
  344    HB2  ASN  43           HB2      ASN  43   9.186   0.884  -2.187
  345    HB3  ASN  43           HB3      ASN  43   9.533  -0.603  -3.061
  346   HD21  ASN  43          HD21      ASN  43  11.659   1.082  -2.427
  347   HD22  ASN  43          HD22      ASN  43  12.243   1.835  -3.835
  348    H    LEU  44           H        LEU  44   6.829   1.051  -1.653
  349    HA   LEU  44           HA       LEU  44   5.898  -1.454  -0.822
  350    HB2  LEU  44           HB2      LEU  44   4.748   1.262  -0.245
  351    HB3  LEU  44           HB3      LEU  44   4.396  -0.179   0.677
  352    HG   LEU  44           HG       LEU  44   7.195   0.962   0.345
  353   HD11  LEU  44          HD11      LEU  44   5.719   2.538   1.576
  354   HD12  LEU  44          HD12      LEU  44   6.953   1.839   2.623
  355   HD13  LEU  44          HD13      LEU  44   5.296   1.243   2.695
  356   HD21  LEU  44          HD21      LEU  44   7.258  -1.385   0.901
  357   HD22  LEU  44          HD22      LEU  44   6.010  -1.182   2.132
  358   HD23  LEU  44          HD23      LEU  44   7.614  -0.486   2.373
  359    H    LEU  45           H        LEU  45   4.202   1.110  -2.629
  360    HA   LEU  45           HA       LEU  45   1.667  -0.117  -2.779
  361    HB2  LEU  45           HB2      LEU  45   1.939   2.220  -3.337
  362    HB3  LEU  45           HB3      LEU  45   3.074   1.830  -4.622
  363    HG   LEU  45           HG       LEU  45   1.274   0.678  -5.879
  364   HD11  LEU  45          HD11      LEU  45  -0.313   1.350  -3.406
  365   HD12  LEU  45          HD12      LEU  45  -0.225  -0.175  -4.286
  366   HD13  LEU  45          HD13      LEU  45  -1.124   1.181  -4.962
  367   HD21  LEU  45          HD21      LEU  45   0.403   3.446  -4.982
  368   HD22  LEU  45          HD22      LEU  45   0.006   2.660  -6.510
  369   HD23  LEU  45          HD23      LEU  45   1.669   3.136  -6.171
  370    H    ALA  46           H        ALA  46   4.407  -0.156  -5.018
  371    HA   ALA  46           HA       ALA  46   3.279  -1.899  -6.958
  372    HB1  ALA  46           HB1      ALA  46   5.242  -0.583  -7.495
  373    HB2  ALA  46           HB2      ALA  46   5.673  -2.288  -7.619
  374    HB3  ALA  46           HB3      ALA  46   6.167  -1.353  -6.206
  375    H    GLU  47           H        GLU  47   5.287  -2.454  -4.109
  376    HA   GLU  47           HA       GLU  47   5.652  -5.235  -4.343
  377    HB2  GLU  47           HB2      GLU  47   5.688  -3.285  -2.029
  378    HB3  GLU  47           HB3      GLU  47   5.928  -5.023  -1.773
  379    HG2  GLU  47           HG2      GLU  47   7.565  -3.379  -3.734
  380    HG3  GLU  47           HG3      GLU  47   8.074  -3.703  -2.080
  381    H    ALA  48           H        ALA  48   3.072  -3.318  -2.848
  382    HA   ALA  48           HA       ALA  48   1.709  -5.457  -1.583
  383    HB1  ALA  48           HB1      ALA  48   0.689  -2.808  -2.639
  384    HB2  ALA  48           HB2      ALA  48   1.218  -3.153  -0.994
  385    HB3  ALA  48           HB3      ALA  48  -0.248  -3.903  -1.624
  386    H    LYS  49           H        LYS  49   1.334  -3.929  -4.773
  387    HA   LYS  49           HA       LYS  49  -0.818  -5.526  -5.662
  388    HB2  LYS  49           HB2      LYS  49   0.159  -3.326  -6.635
  389    HB3  LYS  49           HB3      LYS  49   1.278  -4.382  -7.498
  390    HG2  LYS  49           HG2      LYS  49  -0.529  -5.534  -8.597
  391    HG3  LYS  49           HG3      LYS  49  -1.730  -4.748  -7.580
  392    HD2  LYS  49           HD2      LYS  49  -0.189  -2.668  -8.778
  393    HD3  LYS  49           HD3      LYS  49  -0.577  -3.817 -10.049
  394    HE2  LYS  49           HE2      LYS  49  -2.909  -3.558  -9.745
  395    HE3  LYS  49           HE3      LYS  49  -2.708  -2.854  -8.138
  396    HZ1  LYS  49           HZ1      LYS  49  -1.424  -1.424 -10.315
  397    HZ2  LYS  49           HZ2      LYS  49  -2.279  -0.827  -8.975
  398    HZ3  LYS  49           HZ3      LYS  49  -3.122  -1.411 -10.332
  399    H    LYS  50           H        LYS  50   2.669  -5.997  -5.605
  400    HA   LYS  50           HA       LYS  50   2.889  -8.171  -7.387
  401    HB2  LYS  50           HB2      LYS  50   4.778  -6.824  -6.383
  402    HB3  LYS  50           HB3      LYS  50   4.532  -7.712  -4.884
  403    HG2  LYS  50           HG2      LYS  50   5.009  -9.832  -6.006
  404    HG3  LYS  50           HG3      LYS  50   5.128  -9.011  -7.563
  405    HD2  LYS  50           HD2      LYS  50   7.380  -9.234  -6.889
  406    HD3  LYS  50           HD3      LYS  50   6.974  -7.577  -6.446
  407    HE2  LYS  50           HE2      LYS  50   6.405  -8.456  -4.121
  408    HE3  LYS  50           HE3      LYS  50   7.124  -9.990  -4.615
  409    HZ1  LYS  50           HZ1      LYS  50   8.649  -7.517  -5.028
  410    HZ2  LYS  50           HZ2      LYS  50   9.206  -9.090  -4.713
  411    HZ3  LYS  50           HZ3      LYS  50   8.548  -8.152  -3.455
  412    H    LEU  51           H        LEU  51   2.252  -8.011  -3.893
  413    HA   LEU  51           HA       LEU  51   2.154 -10.804  -3.399
  414    HB2  LEU  51           HB2      LEU  51   0.973  -8.406  -1.993
  415    HB3  LEU  51           HB3      LEU  51   0.708 -10.039  -1.385
  416    HG   LEU  51           HG       LEU  51   3.470  -8.903  -1.960
  417   HD11  LEU  51          HD11      LEU  51   1.902  -8.958   0.635
  418   HD12  LEU  51          HD12      LEU  51   2.467  -7.530  -0.231
  419   HD13  LEU  51          HD13      LEU  51   3.630  -8.622   0.522
  420   HD21  LEU  51          HD21      LEU  51   3.628 -11.261  -1.866
  421   HD22  LEU  51          HD22      LEU  51   2.396 -11.388  -0.609
  422   HD23  LEU  51          HD23      LEU  51   4.001 -10.771  -0.215
  423    H    ASN  52           H        ASN  52  -0.279  -8.444  -4.392
  424    HA   ASN  52           HA       ASN  52  -2.551 -10.139  -4.251
  425    HB2  ASN  52           HB2      ASN  52  -2.909  -7.799  -4.409
  426    HB3  ASN  52           HB3      ASN  52  -1.921  -7.657  -5.854
  427   HD21  ASN  52          HD21      ASN  52  -5.018  -9.059  -4.686
  428   HD22  ASN  52          HD22      ASN  52  -5.774  -9.026  -6.209
  429    H    ASP  53           H        ASP  53  -0.404  -9.266  -6.955
  430    HA   ASP  53           HA       ASP  53  -1.641 -10.879  -8.914
  431    HB2  ASP  53           HB2      ASP  53  -0.050  -9.040  -9.379
  432    HB3  ASP  53           HB3      ASP  53   1.259 -10.014  -8.750
  433    H    ALA  54           H        ALA  54   0.955 -11.553  -6.598
  434    HA   ALA  54           HA       ALA  54   1.601 -14.100  -7.709
  435    HB1  ALA  54           HB1      ALA  54   2.218 -12.952  -4.977
  436    HB2  ALA  54           HB2      ALA  54   3.232 -12.820  -6.414
  437    HB3  ALA  54           HB3      ALA  54   2.959 -14.395  -5.670
  438    H    GLN  55           H        GLN  55  -0.160 -13.169  -4.729
  439    HA   GLN  55           HA       GLN  55  -0.815 -15.821  -3.964
  440    HB2  GLN  55           HB2      GLN  55  -2.098 -13.179  -3.197
  441    HB3  GLN  55           HB3      GLN  55  -2.484 -14.731  -2.454
  442    HG2  GLN  55           HG2      GLN  55  -0.258 -14.989  -1.607
  443    HG3  GLN  55           HG3      GLN  55   0.344 -13.649  -2.583
  444   HE21  GLN  55          HE21      GLN  55  -1.332 -11.591  -2.151
  445   HE22  GLN  55          HE22      GLN  55  -1.482 -11.219  -0.502
  446    H    ALA  56           H        ALA  56  -2.327 -13.596  -6.194
  447    HA   ALA  56           HA       ALA  56  -4.938 -14.573  -6.270
  448    HB1  ALA  56           HB1      ALA  56  -4.508 -12.605  -7.500
  449    HB2  ALA  56           HB2      ALA  56  -4.847 -13.822  -8.730
  450    HB3  ALA  56           HB3      ALA  56  -3.181 -13.349  -8.393
  451    HA   PRO  57           HA       PRO  57  -4.630 -18.695  -7.852
  452    HB2  PRO  57           HB2      PRO  57  -6.993 -18.801  -9.325
  453    HB3  PRO  57           HB3      PRO  57  -6.870 -19.058  -7.576
  454    HG2  PRO  57           HG2      PRO  57  -7.726 -16.648  -9.077
  455    HG3  PRO  57           HG3      PRO  57  -8.303 -17.283  -7.528
  456    HD2  PRO  57           HD2      PRO  57  -6.629 -15.143  -7.713
  457    HD3  PRO  57           HD3      PRO  57  -6.620 -16.251  -6.324
  458    H    LYS  58           H        LYS  58  -4.716 -19.933  -9.948
  459    HA   LYS  58           HA       LYS  58  -3.946 -20.303 -12.060
  460    HB2  LYS  58           HB2      LYS  58  -6.020 -18.769 -12.433
  461    HB3  LYS  58           HB3      LYS  58  -4.835 -17.522 -12.813
  462    HG2  LYS  58           HG2      LYS  58  -3.807 -19.159 -14.473
  463    HG3  LYS  58           HG3      LYS  58  -5.192 -20.201 -14.180
  464    HD2  LYS  58           HD2      LYS  58  -5.631 -18.865 -16.169
  465    HD3  LYS  58           HD3      LYS  58  -6.709 -18.342 -14.879
  466    HE2  LYS  58           HE2      LYS  58  -5.542 -16.490 -16.237
  467    HE3  LYS  58           HE3      LYS  58  -5.452 -16.355 -14.482
  468    HZ1  LYS  58           HZ1      LYS  58  -3.346 -17.638 -16.137
  469    HZ2  LYS  58           HZ2      LYS  58  -3.252 -17.223 -14.493
  470    HZ3  LYS  58           HZ3      LYS  58  -3.307 -16.003 -15.678
  Start of MODEL    2
    1    H    VAL   1           H        VAL   1   7.343  20.139  -3.199
    2    HA   VAL   1           HA       VAL   1   5.166  20.606  -1.961
    3    HB   VAL   1           HB       VAL   1   6.345  18.442  -1.967
    4   HG11  VAL   1          HG11      VAL   1   8.534  19.562  -1.051
    5   HG12  VAL   1          HG12      VAL   1   8.157  17.905  -0.587
    6   HG13  VAL   1          HG13      VAL   1   7.834  19.225   0.533
    7   HG21  VAL   1          HG21      VAL   1   5.540  17.606   0.187
    8   HG22  VAL   1          HG22      VAL   1   4.394  18.784  -0.452
    9   HG23  VAL   1          HG23      VAL   1   5.505  19.242   0.841
   10    H    ASP   2           H        ASP   2   4.378  22.143  -0.678
   11    HA   ASP   2           HA       ASP   2   6.034  23.796   0.978
   12    HB2  ASP   2           HB2      ASP   2   3.016  23.593   0.747
   13    HB3  ASP   2           HB3      ASP   2   3.874  24.843   1.644
   14    H    ASN   3           H        ASN   3   3.194  21.811   1.876
   15    HA   ASN   3           HA       ASN   3   4.179  21.613   4.618
   16    HB2  ASN   3           HB2      ASN   3   1.585  20.760   3.309
   17    HB3  ASN   3           HB3      ASN   3   1.959  20.499   5.012
   18   HD21  ASN   3          HD21      ASN   3   2.253  23.287   2.715
   19   HD22  ASN   3          HD22      ASN   3   1.559  24.411   3.783
   20    H    LYS   4           H        LYS   4   2.861  19.280   2.237
   21    HA   LYS   4           HA       LYS   4   4.982  17.424   2.395
   22    HB2  LYS   4           HB2      LYS   4   3.159  17.328   4.636
   23    HB3  LYS   4           HB3      LYS   4   2.993  15.851   3.695
   24    HG2  LYS   4           HG2      LYS   4   5.712  16.920   4.493
   25    HG3  LYS   4           HG3      LYS   4   4.778  15.871   5.557
   26    HD2  LYS   4           HD2      LYS   4   4.634  14.204   3.659
   27    HD3  LYS   4           HD3      LYS   4   5.753  15.223   2.757
   28    HE2  LYS   4           HE2      LYS   4   7.016  13.460   3.867
   29    HE3  LYS   4           HE3      LYS   4   7.398  15.003   4.632
   30    HZ1  LYS   4           HZ1      LYS   4   6.291  14.449   6.521
   31    HZ2  LYS   4           HZ2      LYS   4   6.738  12.888   6.031
   32    HZ3  LYS   4           HZ3      LYS   4   5.167  13.457   5.723
   33    H    PHE   5           H        PHE   5   4.560  15.487   1.174
   34    HA   PHE   5           HA       PHE   5   2.408  15.824  -0.784
   35    HB2  PHE   5           HB2      PHE   5   3.624  13.923  -1.971
   36    HB3  PHE   5           HB3      PHE   5   4.517  15.429  -1.807
   37    HD1  PHE   5           HD1      PHE   5   6.371  15.638  -0.185
   38    HD2  PHE   5           HD2      PHE   5   4.301  11.913  -0.742
   39    HE1  PHE   5           HE1      PHE   5   8.194  14.447   0.994
   40    HE2  PHE   5           HE2      PHE   5   6.124  10.723   0.437
   41    HZ   PHE   5           HZ       PHE   5   8.073  11.995   1.306
   42    H    ASN   6           H        ASN   6   1.370  15.217   1.617
   43    HA   ASN   6           HA       ASN   6   1.005  12.563   2.372
   44    HB2  ASN   6           HB2      ASN   6  -0.996  14.837   2.487
   45    HB3  ASN   6           HB3      ASN   6  -1.107  13.334   3.401
   46   HD21  ASN   6          HD21      ASN   6  -0.240  16.483   3.823
   47   HD22  ASN   6          HD22      ASN   6   0.963  16.302   5.009
   48    H    LYS   7           H        LYS   7  -0.335  14.285  -0.350
   49    HA   LYS   7           HA       LYS   7  -2.614  12.784  -0.929
   50    HB2  LYS   7           HB2      LYS   7  -0.667  14.308  -2.650
   51    HB3  LYS   7           HB3      LYS   7  -1.991  13.408  -3.383
   52    HG2  LYS   7           HG2      LYS   7  -2.849  15.601  -3.070
   53    HG3  LYS   7           HG3      LYS   7  -3.546  14.654  -1.758
   54    HD2  LYS   7           HD2      LYS   7  -1.870  15.508  -0.195
   55    HD3  LYS   7           HD3      LYS   7  -1.042  16.361  -1.497
   56    HE2  LYS   7           HE2      LYS   7  -3.944  16.889  -0.824
   57    HE3  LYS   7           HE3      LYS   7  -2.628  17.750  -0.026
   58    HZ1  LYS   7           HZ1      LYS   7  -3.633  18.791  -2.106
   59    HZ2  LYS   7           HZ2      LYS   7  -2.798  17.596  -2.972
   60    HZ3  LYS   7           HZ3      LYS   7  -1.938  18.706  -2.016
   61    H    GLU   8           H        GLU   8   0.793  12.064  -1.602
   62    HA   GLU   8           HA       GLU   8   0.363   9.881  -3.366
   63    HB2  GLU   8           HB2      GLU   8   2.683  10.452  -1.498
   64    HB3  GLU   8           HB3      GLU   8   2.688   9.212  -2.753
   65    HG2  GLU   8           HG2      GLU   8   2.196  11.009  -4.447
   66    HG3  GLU   8           HG3      GLU   8   2.370  12.205  -3.171
   67    H    MET   9           H        MET   9   0.640  10.073   0.177
   68    HA   MET   9           HA       MET   9   0.641   7.291   0.700
   69    HB2  MET   9           HB2      MET   9   0.012   9.744   2.294
   70    HB3  MET   9           HB3      MET   9  -0.516   8.195   2.934
   71    HG2  MET   9           HG2      MET   9   1.570   7.754   3.644
   72    HG3  MET   9           HG3      MET   9   2.193   7.919   2.007
   73    HE1  MET   9           HE1      MET   9   4.024  10.990   1.809
   74    HE2  MET   9           HE2      MET   9   2.507  10.672   0.961
   75    HE3  MET   9           HE3      MET   9   3.638   9.356   1.274
   76    H    ARG  10           H        ARG  10  -2.011   9.656   0.506
   77    HA   ARG  10           HA       ARG  10  -4.133   7.937   1.162
   78    HB2  ARG  10           HB2      ARG  10  -4.088  10.352  -0.671
   79    HB3  ARG  10           HB3      ARG  10  -5.559   9.559  -0.107
   80    HG2  ARG  10           HG2      ARG  10  -4.905  10.002   2.239
   81    HG3  ARG  10           HG3      ARG  10  -3.436  10.798   1.680
   82    HD2  ARG  10           HD2      ARG  10  -5.041  12.523   2.148
   83    HD3  ARG  10           HD3      ARG  10  -4.898  12.417   0.401
   84    HE   ARG  10           HE       ARG  10  -7.188  11.527   2.027
   85   HH11  ARG  10          HH11      ARG  10  -5.718  11.879  -1.115
   86   HH12  ARG  10          HH12      ARG  10  -7.212  11.689  -1.965
   87   HH21  ARG  10          HH21      ARG  10  -9.113  11.282   0.893
   88   HH22  ARG  10          HH22      ARG  10  -9.120  11.353  -0.836
   89    H    ASN  11           H        ASN  11  -2.564   8.563  -1.961
   90    HA   ASN  11           HA       ASN  11  -4.368   7.158  -3.603
   91    HB2  ASN  11           HB2      ASN  11  -2.526   8.686  -4.386
   92    HB3  ASN  11           HB3      ASN  11  -1.381   7.390  -4.043
   93   HD21  ASN  11          HD21      ASN  11  -1.029   5.939  -5.745
   94   HD22  ASN  11          HD22      ASN  11  -2.069   5.735  -7.071
   95    H    ALA  12           H        ALA  12  -1.219   6.010  -2.298
   96    HA   ALA  12           HA       ALA  12  -1.648   3.315  -3.123
   97    HB1  ALA  12           HB1      ALA  12   0.211   4.227  -0.914
   98    HB2  ALA  12           HB2      ALA  12   0.601   4.349  -2.630
   99    HB3  ALA  12           HB3      ALA  12   0.343   2.767  -1.898
  100    H    TYR  13           H        TYR  13  -2.530   5.105  -0.237
  101    HA   TYR  13           HA       TYR  13  -2.964   3.054   1.610
  102    HB2  TYR  13           HB2      TYR  13  -3.112   5.481   2.120
  103    HB3  TYR  13           HB3      TYR  13  -4.620   5.572   1.225
  104    HD1  TYR  13           HD1      TYR  13  -6.636   4.272   2.056
  105    HD2  TYR  13           HD2      TYR  13  -3.031   4.674   4.368
  106    HE1  TYR  13           HE1      TYR  13  -7.871   3.619   4.103
  107    HE2  TYR  13           HE2      TYR  13  -4.270   4.014   6.409
  108    HH   TYR  13           HH       TYR  13  -6.774   2.457   6.619
  109    H    TRP  14           H        TRP  14  -5.441   4.531  -0.532
  110    HA   TRP  14           HA       TRP  14  -7.383   2.516   0.061
  111    HB2  TRP  14           HB2      TRP  14  -7.287   4.582  -2.145
  112    HB3  TRP  14           HB3      TRP  14  -8.651   3.511  -1.831
  113    HD1  TRP  14           HD1      TRP  14  -7.290   6.794  -0.856
  114    HE1  TRP  14           HE1      TRP  14  -8.543   7.731   1.191
  115    HE3  TRP  14           HE3      TRP  14  -9.827   2.611   0.620
  116    HZ2  TRP  14           HZ2      TRP  14 -10.378   6.831   3.189
  117    HZ3  TRP  14           HZ3      TRP  14 -11.321   2.681   2.597
  118    HH2  TRP  14           HH2      TRP  14 -11.599   4.784   3.882
  119    H    GLU  15           H        GLU  15  -5.103   2.973  -2.641
  120    HA   GLU  15           HA       GLU  15  -6.143   0.985  -4.344
  121    HB2  GLU  15           HB2      GLU  15  -3.351   2.091  -4.016
  122    HB3  GLU  15           HB3      GLU  15  -3.759   0.902  -5.253
  123    HG2  GLU  15           HG2      GLU  15  -5.486   2.413  -6.158
  124    HG3  GLU  15           HG3      GLU  15  -5.120   3.601  -4.918
  125    H    ILE  16           H        ILE  16  -3.722   0.742  -1.730
  126    HA   ILE  16           HA       ILE  16  -3.161  -2.025  -2.129
  127    HB   ILE  16           HB       ILE  16  -2.876  -0.247   0.313
  128   HG12  ILE  16          HG12      ILE  16  -0.726  -1.400  -1.489
  129   HG13  ILE  16          HG13      ILE  16  -1.478   0.155  -1.820
  130   HG21  ILE  16          HG21      ILE  16  -2.998  -2.461   1.203
  131   HG22  ILE  16          HG22      ILE  16  -1.274  -2.129   1.052
  132   HG23  ILE  16          HG23      ILE  16  -2.084  -3.138  -0.146
  133   HD11  ILE  16          HD11      ILE  16  -0.029  -0.589   0.742
  134   HD12  ILE  16          HD12      ILE  16  -0.775   0.973   0.403
  135   HD13  ILE  16          HD13      ILE  16   0.614   0.436  -0.539
  136    H    ALA  17           H        ALA  17  -5.382  -0.297   0.055
  137    HA   ALA  17           HA       ALA  17  -6.471  -2.522   1.380
  138    HB1  ALA  17           HB1      ALA  17  -7.917   0.047   0.687
  139    HB2  ALA  17           HB2      ALA  17  -6.791  -0.126   2.033
  140    HB3  ALA  17           HB3      ALA  17  -8.288  -1.056   2.013
  141    H    LEU  18           H        LEU  18  -7.178  -1.161  -1.777
  142    HA   LEU  18           HA       LEU  18  -9.682  -2.322  -2.268
  143    HB2  LEU  18           HB2      LEU  18  -8.553  -0.563  -3.664
  144    HB3  LEU  18           HB3      LEU  18  -7.516  -1.822  -4.325
  145    HG   LEU  18           HG       LEU  18 -10.420  -2.445  -4.413
  146   HD11  LEU  18          HD11      LEU  18 -10.524  -0.049  -4.926
  147   HD12  LEU  18          HD12      LEU  18 -10.804  -0.987  -6.392
  148   HD13  LEU  18          HD13      LEU  18  -9.236  -0.227  -6.120
  149   HD21  LEU  18          HD21      LEU  18  -9.788  -3.190  -6.700
  150   HD22  LEU  18          HD22      LEU  18  -8.720  -3.882  -5.482
  151   HD23  LEU  18          HD23      LEU  18  -8.172  -2.524  -6.464
  152    H    LEU  19           H        LEU  19  -6.417  -3.685  -2.591
  153    HA   LEU  19           HA       LEU  19  -7.189  -6.024  -4.020
  154    HB2  LEU  19           HB2      LEU  19  -4.784  -5.110  -2.523
  155    HB3  LEU  19           HB3      LEU  19  -4.949  -6.839  -2.785
  156    HG   LEU  19           HG       LEU  19  -4.822  -6.637  -5.120
  157   HD11  LEU  19          HD11      LEU  19  -4.945  -4.347  -6.264
  158   HD12  LEU  19          HD12      LEU  19  -5.620  -3.743  -4.750
  159   HD13  LEU  19          HD13      LEU  19  -6.465  -5.002  -5.655
  160   HD21  LEU  19          HD21      LEU  19  -3.130  -4.304  -4.176
  161   HD22  LEU  19          HD22      LEU  19  -2.832  -5.340  -5.572
  162   HD23  LEU  19          HD23      LEU  19  -2.686  -5.994  -3.942
  163    HA   PRO  20           HA       PRO  20  -9.136  -7.972  -0.445
  164    HB2  PRO  20           HB2      PRO  20 -10.546  -9.810  -1.748
  165    HB3  PRO  20           HB3      PRO  20 -10.884  -8.082  -1.987
  166    HG2  PRO  20           HG2      PRO  20  -9.309  -9.946  -3.717
  167    HG3  PRO  20           HG3      PRO  20 -10.535  -8.757  -4.182
  168    HD2  PRO  20           HD2      PRO  20  -7.800  -8.302  -4.278
  169    HD3  PRO  20           HD3      PRO  20  -9.033  -7.027  -4.176
  170    H    ASN  21           H        ASN  21  -7.106  -9.807  -2.729
  171    HA   ASN  21           HA       ASN  21  -7.194 -12.210  -1.115
  172    HB2  ASN  21           HB2      ASN  21  -5.690 -13.137  -2.836
  173    HB3  ASN  21           HB3      ASN  21  -7.133 -12.405  -3.526
  174   HD21  ASN  21          HD21      ASN  21  -5.215 -12.608  -5.351
  175   HD22  ASN  21          HD22      ASN  21  -4.391 -11.140  -5.592
  176    H    LEU  22           H        LEU  22  -5.500  -9.400  -0.641
  177    HA   LEU  22           HA       LEU  22  -2.920 -10.507   0.007
  178    HB2  LEU  22           HB2      LEU  22  -4.126  -7.925   1.027
  179    HB3  LEU  22           HB3      LEU  22  -2.428  -8.393   1.098
  180    HG   LEU  22           HG       LEU  22  -3.865  -8.219  -1.541
  181   HD11  LEU  22          HD11      LEU  22  -4.191  -6.031  -0.539
  182   HD12  LEU  22          HD12      LEU  22  -2.860  -5.892  -1.687
  183   HD13  LEU  22          HD13      LEU  22  -2.527  -5.996   0.040
  184   HD21  LEU  22          HD21      LEU  22  -0.968  -7.957  -0.658
  185   HD22  LEU  22          HD22      LEU  22  -1.539  -7.776  -2.317
  186   HD23  LEU  22          HD23      LEU  22  -1.681  -9.330  -1.508
  187    H    ASN  23           H        ASN  23  -2.252 -11.436   1.831
  188    HA   ASN  23           HA       ASN  23  -3.973 -12.519   3.736
  189    HB2  ASN  23           HB2      ASN  23  -1.583 -13.193   3.431
  190    HB3  ASN  23           HB3      ASN  23  -1.096 -11.713   4.251
  191   HD21  ASN  23          HD21      ASN  23  -2.839 -14.794   4.744
  192   HD22  ASN  23          HD22      ASN  23  -2.696 -14.784   6.436
  193    H    ASN  24           H        ASN  24  -4.665 -11.911   5.800
  194    HA   ASN  24           HA       ASN  24  -5.470  -9.309   6.242
  195    HB2  ASN  24           HB2      ASN  24  -4.887 -11.437   8.319
  196    HB3  ASN  24           HB3      ASN  24  -5.834  -9.978   8.604
  197   HD21  ASN  24          HD21      ASN  24  -7.571  -9.755   6.555
  198   HD22  ASN  24          HD22      ASN  24  -8.495 -11.166   6.343
  199    H    GLN  25           H        GLN  25  -2.467 -10.841   7.385
  200    HA   GLN  25           HA       GLN  25  -1.615  -8.655   9.010
  201    HB2  GLN  25           HB2      GLN  25  -0.040 -10.883   7.687
  202    HB3  GLN  25           HB3      GLN  25   0.631  -9.749   8.862
  203    HG2  GLN  25           HG2      GLN  25  -1.094 -10.481  10.510
  204    HG3  GLN  25           HG3      GLN  25  -1.676 -11.666   9.345
  205   HE21  GLN  25          HE21      GLN  25   1.610 -11.630   8.815
  206   HE22  GLN  25          HE22      GLN  25   2.078 -12.846   9.901
  207    H    GLN  26           H        GLN  26  -0.998  -9.551   5.638
  208    HA   GLN  26           HA       GLN  26   0.923  -7.554   5.067
  209    HB2  GLN  26           HB2      GLN  26  -0.976  -9.054   3.250
  210    HB3  GLN  26           HB3      GLN  26   0.340  -8.028   2.680
  211    HG2  GLN  26           HG2      GLN  26   1.984  -9.426   3.846
  212    HG3  GLN  26           HG3      GLN  26   0.697 -10.425   4.514
  213   HE21  GLN  26          HE21      GLN  26  -0.935 -11.018   2.418
  214   HE22  GLN  26          HE22      GLN  26  -0.080 -11.771   1.157
  215    H    LYS  27           H        LYS  27  -2.624  -7.569   4.780
  216    HA   LYS  27           HA       LYS  27  -3.007  -5.225   3.309
  217    HB2  LYS  27           HB2      LYS  27  -4.695  -6.389   5.545
  218    HB3  LYS  27           HB3      LYS  27  -5.232  -5.103   4.462
  219    HG2  LYS  27           HG2      LYS  27  -5.002  -6.544   2.531
  220    HG3  LYS  27           HG3      LYS  27  -4.289  -7.820   3.509
  221    HD2  LYS  27           HD2      LYS  27  -6.340  -8.620   3.994
  222    HD3  LYS  27           HD3      LYS  27  -6.775  -7.080   4.732
  223    HE2  LYS  27           HE2      LYS  27  -8.368  -7.453   2.985
  224    HE3  LYS  27           HE3      LYS  27  -7.253  -6.226   2.382
  225    HZ1  LYS  27           HZ1      LYS  27  -6.949  -7.572   0.647
  226    HZ2  LYS  27           HZ2      LYS  27  -7.749  -8.869   1.399
  227    HZ3  LYS  27           HZ3      LYS  27  -6.092  -8.612   1.692
  228    H    ARG  28           H        ARG  28  -2.961  -5.550   6.863
  229    HA   ARG  28           HA       ARG  28  -3.043  -2.720   7.334
  230    HB2  ARG  28           HB2      ARG  28  -2.338  -5.034   9.162
  231    HB3  ARG  28           HB3      ARG  28  -2.539  -3.364   9.694
  232    HG2  ARG  28           HG2      ARG  28  -4.872  -3.391   8.788
  233    HG3  ARG  28           HG3      ARG  28  -4.662  -5.093   8.372
  234    HD2  ARG  28           HD2      ARG  28  -4.150  -5.549  10.796
  235    HD3  ARG  28           HD3      ARG  28  -4.570  -3.873  11.148
  236    HE   ARG  28           HE       ARG  28  -6.699  -5.049   9.718
  237   HH11  ARG  28          HH11      ARG  28  -5.116  -5.261  12.806
  238   HH12  ARG  28          HH12      ARG  28  -6.539  -5.787  13.640
  239   HH21  ARG  28          HH21      ARG  28  -8.543  -5.735  10.821
  240   HH22  ARG  28          HH22      ARG  28  -8.470  -6.054  12.521
  241    H    ALA  29           H        ALA  29  -0.469  -5.119   7.078
  242    HA   ALA  29           HA       ALA  29   1.633  -3.665   8.224
  243    HB1  ALA  29           HB1      ALA  29   3.104  -5.155   6.845
  244    HB2  ALA  29           HB2      ALA  29   1.653  -5.764   6.051
  245    HB3  ALA  29           HB3      ALA  29   1.881  -6.014   7.781
  246    H    PHE  30           H        PHE  30   0.986  -4.038   4.696
  247    HA   PHE  30           HA       PHE  30   2.948  -2.204   3.881
  248    HB2  PHE  30           HB2      PHE  30   0.489  -3.309   2.563
  249    HB3  PHE  30           HB3      PHE  30   1.405  -2.029   1.771
  250    HD1  PHE  30           HD1      PHE  30   3.761  -2.377   1.105
  251    HD2  PHE  30           HD2      PHE  30   1.446  -5.550   2.838
  252    HE1  PHE  30           HE1      PHE  30   5.457  -4.023   0.364
  253    HE2  PHE  30           HE2      PHE  30   3.136  -7.192   2.100
  254    HZ   PHE  30           HZ       PHE  30   5.147  -6.432   0.857
  255    H    ILE  31           H        ILE  31  -0.544  -1.610   4.449
  256    HA   ILE  31           HA       ILE  31  -0.496   1.111   3.713
  257    HB   ILE  31           HB       ILE  31  -2.326  -0.380   5.617
  258   HG12  ILE  31          HG12      ILE  31  -2.602   0.560   2.730
  259   HG13  ILE  31          HG13      ILE  31  -2.373  -1.105   3.248
  260   HG21  ILE  31          HG21      ILE  31  -2.492   1.924   6.270
  261   HG22  ILE  31          HG22      ILE  31  -3.849   1.643   5.183
  262   HG23  ILE  31          HG23      ILE  31  -2.409   2.474   4.598
  263   HD11  ILE  31          HD11      ILE  31  -4.820   0.609   3.373
  264   HD12  ILE  31          HD12      ILE  31  -4.579  -0.549   4.685
  265   HD13  ILE  31          HD13      ILE  31  -4.668  -1.112   3.016
  266    H    ARG  32           H        ARG  32   0.277  -0.495   6.773
  267    HA   ARG  32           HA       ARG  32   0.590   1.917   8.298
  268    HB2  ARG  32           HB2      ARG  32   0.229  -0.332   9.326
  269    HB3  ARG  32           HB3      ARG  32   1.841  -0.804   8.791
  270    HG2  ARG  32           HG2      ARG  32   2.811   1.067  10.115
  271    HG3  ARG  32           HG3      ARG  32   1.194   1.495  10.670
  272    HD2  ARG  32           HD2      ARG  32   0.974  -0.800  11.647
  273    HD3  ARG  32           HD3      ARG  32   2.643  -1.121  11.183
  274    HE   ARG  32           HE       ARG  32   2.606   1.249  12.695
  275   HH11  ARG  32          HH11      ARG  32   1.983  -2.148  13.086
  276   HH12  ARG  32          HH12      ARG  32   2.417  -2.163  14.762
  277   HH21  ARG  32          HH21      ARG  32   3.168   1.211  14.880
  278   HH22  ARG  32          HH22      ARG  32   3.084  -0.271  15.772
  279    H    SER  33           H        SER  33   2.711  -0.128   6.348
  280    HA   SER  33           HA       SER  33   5.193   0.987   7.026
  281    HB2  SER  33           HB2      SER  33   4.345  -0.194   4.374
  282    HB3  SER  33           HB3      SER  33   6.004   0.088   4.889
  283    HG   SER  33           HG       SER  33   4.103  -1.524   6.262
  284    H    LEU  34           H        LEU  34   2.712   2.140   4.778
  285    HA   LEU  34           HA       LEU  34   4.157   3.962   3.246
  286    HB2  LEU  34           HB2      LEU  34   1.346   3.697   4.095
  287    HB3  LEU  34           HB3      LEU  34   1.816   5.354   3.761
  288    HG   LEU  34           HG       LEU  34   0.919   4.304   1.746
  289   HD11  LEU  34          HD11      LEU  34   3.872   4.432   1.213
  290   HD12  LEU  34          HD12      LEU  34   3.035   5.882   1.766
  291   HD13  LEU  34          HD13      LEU  34   2.535   5.090   0.274
  292   HD21  LEU  34          HD21      LEU  34   3.079   2.240   2.251
  293   HD22  LEU  34          HD22      LEU  34   2.277   2.419   0.694
  294   HD23  LEU  34          HD23      LEU  34   1.345   1.976   2.123
  295    H    TYR  35           H        TYR  35   2.492   4.662   6.319
  296    HA   TYR  35           HA       TYR  35   3.517   7.274   6.660
  297    HB2  TYR  35           HB2      TYR  35   1.529   6.347   7.857
  298    HB3  TYR  35           HB3      TYR  35   2.609   5.328   8.805
  299    HD1  TYR  35           HD1      TYR  35   1.639   8.839   8.072
  300    HD2  TYR  35           HD2      TYR  35   3.944   6.240  10.606
  301    HE1  TYR  35           HE1      TYR  35   2.038  10.717   9.640
  302    HE2  TYR  35           HE2      TYR  35   4.338   8.121  12.172
  303    HH   TYR  35           HH       TYR  35   2.723  10.589  12.523
  304    H    ASP  36           H        ASP  36   4.668   4.089   7.685
  305    HA   ASP  36           HA       ASP  36   6.706   4.861   9.437
  306    HB2  ASP  36           HB2      ASP  36   5.848   2.527   9.058
  307    HB3  ASP  36           HB3      ASP  36   6.802   2.480   7.577
  308    H    ASP  37           H        ASP  37   6.749   4.650   5.881
  309    HA   ASP  37           HA       ASP  37   9.078   6.358   5.772
  310    HB2  ASP  37           HB2      ASP  37  10.134   4.158   6.219
  311    HB3  ASP  37           HB3      ASP  37   9.357   3.502   4.786
  312    HA   PRO  38           HA       PRO  38   6.057   6.808   2.251
  313    HB2  PRO  38           HB2      PRO  38   7.206   9.554   2.372
  314    HB3  PRO  38           HB3      PRO  38   5.515   9.038   2.286
  315    HG2  PRO  38           HG2      PRO  38   6.567   9.997   4.535
  316    HG3  PRO  38           HG3      PRO  38   5.359   8.703   4.550
  317    HD2  PRO  38           HD2      PRO  38   8.313   8.525   4.992
  318    HD3  PRO  38           HD3      PRO  38   6.998   7.594   5.744
  319    H    SER  39           H        SER  39   9.458   7.356   2.619
  320    HA   SER  39           HA       SER  39  10.220   8.220   0.076
  321    HB2  SER  39           HB2      SER  39  11.704   8.063   2.092
  322    HB3  SER  39           HB3      SER  39  11.787   6.323   1.839
  323    HG   SER  39           HG       SER  39  12.442   7.000  -0.408
  324    H    GLN  40           H        GLN  40   9.435   4.940   1.188
  325    HA   GLN  40           HA       GLN  40  10.070   3.901  -1.509
  326    HB2  GLN  40           HB2      GLN  40  10.063   1.686  -0.493
  327    HB3  GLN  40           HB3      GLN  40  11.166   2.755   0.363
  328    HG2  GLN  40           HG2      GLN  40   9.396   3.169   2.064
  329    HG3  GLN  40           HG3      GLN  40   8.367   2.009   1.244
  330   HE21  GLN  40          HE21      GLN  40  11.280   0.634   0.751
  331   HE22  GLN  40          HE22      GLN  40  11.427  -0.289   2.165
  332    H    SER  41           H        SER  41   7.577   5.416  -0.471
  333    HA   SER  41           HA       SER  41   5.328   3.823  -0.304
  334    HB2  SER  41           HB2      SER  41   4.106   5.733  -1.349
  335    HB3  SER  41           HB3      SER  41   5.138   6.188   0.005
  336    HG   SER  41           HG       SER  41   6.538   7.113  -1.363
  337    H    ALA  42           H        ALA  42   7.027   4.838  -3.238
  338    HA   ALA  42           HA       ALA  42   5.111   3.862  -5.095
  339    HB1  ALA  42           HB1      ALA  42   8.113   4.127  -5.444
  340    HB2  ALA  42           HB2      ALA  42   6.950   5.432  -5.685
  341    HB3  ALA  42           HB3      ALA  42   6.917   4.017  -6.737
  342    H    ASN  43           H        ASN  43   7.891   2.427  -3.484
  343    HA   ASN  43           HA       ASN  43   7.903  -0.046  -4.907
  344    HB2  ASN  43           HB2      ASN  43   8.952   0.545  -2.128
  345    HB3  ASN  43           HB3      ASN  43   9.368  -0.846  -3.117
  346   HD21  ASN  43          HD21      ASN  43  11.345   0.954  -2.156
  347   HD22  ASN  43          HD22      ASN  43  12.014   1.789  -3.477
  348    H    LEU  44           H        LEU  44   6.558   0.924  -1.753
  349    HA   LEU  44           HA       LEU  44   5.594  -1.562  -0.907
  350    HB2  LEU  44           HB2      LEU  44   4.357   1.134  -0.438
  351    HB3  LEU  44           HB3      LEU  44   4.067  -0.294   0.527
  352    HG   LEU  44           HG       LEU  44   6.787   1.004   0.177
  353   HD11  LEU  44          HD11      LEU  44   4.959   1.115   2.585
  354   HD12  LEU  44          HD12      LEU  44   5.173   2.436   1.439
  355   HD13  LEU  44          HD13      LEU  44   6.533   1.890   2.418
  356   HD21  LEU  44          HD21      LEU  44   5.794  -1.224   1.970
  357   HD22  LEU  44          HD22      LEU  44   7.350  -0.416   2.177
  358   HD23  LEU  44          HD23      LEU  44   7.025  -1.337   0.710
  359    H    LEU  45           H        LEU  45   3.941   0.943  -2.844
  360    HA   LEU  45           HA       LEU  45   1.442  -0.354  -3.076
  361    HB2  LEU  45           HB2      LEU  45   1.618   1.965  -3.670
  362    HB3  LEU  45           HB3      LEU  45   2.880   1.631  -4.848
  363    HG   LEU  45           HG       LEU  45   1.241   0.355  -6.228
  364   HD11  LEU  45          HD11      LEU  45  -0.717   1.239  -4.081
  365   HD12  LEU  45          HD12      LEU  45  -0.293  -0.420  -4.506
  366   HD13  LEU  45          HD13      LEU  45  -1.192   0.578  -5.645
  367   HD21  LEU  45          HD21      LEU  45   1.591   2.792  -6.599
  368   HD22  LEU  45          HD22      LEU  45   0.255   3.134  -5.498
  369   HD23  LEU  45          HD23      LEU  45  -0.044   2.281  -7.014
  370    H    ALA  46           H        ALA  46   4.272  -0.336  -5.214
  371    HA   ALA  46           HA       ALA  46   3.282  -2.140  -7.169
  372    HB1  ALA  46           HB1      ALA  46   6.160  -1.690  -6.317
  373    HB2  ALA  46           HB2      ALA  46   5.287  -0.710  -7.496
  374    HB3  ALA  46           HB3      ALA  46   5.624  -2.408  -7.838
  375    H    GLU  47           H        GLU  47   5.077  -2.607  -4.172
  376    HA   GLU  47           HA       GLU  47   5.523  -5.395  -4.371
  377    HB2  GLU  47           HB2      GLU  47   5.452  -3.408  -2.094
  378    HB3  GLU  47           HB3      GLU  47   5.642  -5.141  -1.781
  379    HG2  GLU  47           HG2      GLU  47   7.426  -3.563  -3.669
  380    HG3  GLU  47           HG3      GLU  47   7.833  -3.893  -1.990
  381    H    ALA  48           H        ALA  48   2.865  -3.475  -3.017
  382    HA   ALA  48           HA       ALA  48   1.439  -5.629  -1.835
  383    HB1  ALA  48           HB1      ALA  48   0.382  -3.010  -2.947
  384    HB2  ALA  48           HB2      ALA  48   0.968  -3.264  -1.304
  385    HB3  ALA  48           HB3      ALA  48  -0.487  -4.093  -1.859
  386    H    LYS  49           H        LYS  49   1.426  -4.158  -5.043
  387    HA   LYS  49           HA       LYS  49  -0.739  -5.649  -6.122
  388    HB2  LYS  49           HB2      LYS  49   0.644  -3.541  -7.030
  389    HB3  LYS  49           HB3      LYS  49   1.521  -4.808  -7.888
  390    HG2  LYS  49           HG2      LYS  49  -0.794  -5.683  -8.619
  391    HG3  LYS  49           HG3      LYS  49  -1.427  -4.147  -8.038
  392    HD2  LYS  49           HD2      LYS  49   0.576  -3.184  -9.534
  393    HD3  LYS  49           HD3      LYS  49   0.336  -4.711 -10.384
  394    HE2  LYS  49           HE2      LYS  49  -2.135  -4.135 -10.509
  395    HE3  LYS  49           HE3      LYS  49  -1.715  -2.530  -9.896
  396    HZ1  LYS  49           HZ1      LYS  49  -1.772  -2.460 -12.271
  397    HZ2  LYS  49           HZ2      LYS  49  -0.736  -3.798 -12.399
  398    HZ3  LYS  49           HZ3      LYS  49  -0.151  -2.327 -11.781
  399    H    LYS  50           H        LYS  50   2.737  -6.197  -5.858
  400    HA   LYS  50           HA       LYS  50   3.001  -8.455  -7.506
  401    HB2  LYS  50           HB2      LYS  50   4.852  -7.081  -6.471
  402    HB3  LYS  50           HB3      LYS  50   4.528  -7.901  -4.947
  403    HG2  LYS  50           HG2      LYS  50   5.049 -10.068  -5.942
  404    HG3  LYS  50           HG3      LYS  50   5.220  -9.332  -7.536
  405    HD2  LYS  50           HD2      LYS  50   7.449  -9.539  -6.768
  406    HD3  LYS  50           HD3      LYS  50   7.043  -7.852  -6.453
  407    HE2  LYS  50           HE2      LYS  50   6.446  -8.492  -4.097
  408    HE3  LYS  50           HE3      LYS  50   7.018 -10.125  -4.440
  409    HZ1  LYS  50           HZ1      LYS  50   9.126  -8.834  -5.236
  410    HZ2  LYS  50           HZ2      LYS  50   8.898  -9.181  -3.591
  411    HZ3  LYS  50           HZ3      LYS  50   8.540  -7.629  -4.189
  412    H    LEU  51           H        LEU  51   2.190  -8.149  -4.060
  413    HA   LEU  51           HA       LEU  51   2.075 -10.919  -3.464
  414    HB2  LEU  51           HB2      LEU  51   0.777  -8.495  -2.204
  415    HB3  LEU  51           HB3      LEU  51   0.606 -10.113  -1.524
  416    HG   LEU  51           HG       LEU  51   3.287  -8.794  -2.095
  417   HD11  LEU  51          HD11      LEU  51   1.572  -8.835   0.390
  418   HD12  LEU  51          HD12      LEU  51   2.352  -7.458  -0.385
  419   HD13  LEU  51          HD13      LEU  51   3.322  -8.647   0.481
  420   HD21  LEU  51          HD21      LEU  51   2.394 -11.364  -0.786
  421   HD22  LEU  51          HD22      LEU  51   3.913 -10.610  -0.302
  422   HD23  LEU  51          HD23      LEU  51   3.673 -11.111  -1.974
  423    H    ASN  52           H        ASN  52  -0.370  -8.590  -4.548
  424    HA   ASN  52           HA       ASN  52  -2.613 -10.307  -4.474
  425    HB2  ASN  52           HB2      ASN  52  -2.992  -7.970  -4.698
  426    HB3  ASN  52           HB3      ASN  52  -1.955  -7.850  -6.111
  427   HD21  ASN  52          HD21      ASN  52  -5.097  -9.163  -4.999
  428   HD22  ASN  52          HD22      ASN  52  -5.798  -9.213  -6.547
  429    H    ASP  53           H        ASP  53  -0.357  -9.494  -7.103
  430    HA   ASP  53           HA       ASP  53  -1.524 -11.099  -9.103
  431    HB2  ASP  53           HB2      ASP  53   0.173  -9.321  -9.481
  432    HB3  ASP  53           HB3      ASP  53   1.402 -10.369  -8.802
  433    H    ALA  54           H        ALA  54   0.914 -11.847  -6.640
  434    HA   ALA  54           HA       ALA  54   1.493 -14.438  -7.709
  435    HB1  ALA  54           HB1      ALA  54   2.120 -13.221  -5.010
  436    HB2  ALA  54           HB2      ALA  54   3.171 -13.239  -6.426
  437    HB3  ALA  54           HB3      ALA  54   2.774 -14.748  -5.603
  438    H    GLN  55           H        GLN  55  -0.277 -13.364  -4.787
  439    HA   GLN  55           HA       GLN  55  -1.064 -15.963  -3.959
  440    HB2  GLN  55           HB2      GLN  55  -2.269 -13.256  -3.311
  441    HB3  GLN  55           HB3      GLN  55  -2.697 -14.763  -2.508
  442    HG2  GLN  55           HG2      GLN  55  -0.534 -15.008  -1.561
  443    HG3  GLN  55           HG3      GLN  55   0.170 -13.809  -2.647
  444   HE21  GLN  55          HE21      GLN  55  -1.450 -11.641  -2.466
  445   HE22  GLN  55          HE22      GLN  55  -1.585 -11.090  -0.869
  446    H    ALA  56           H        ALA  56  -2.465 -13.718  -6.251
  447    HA   ALA  56           HA       ALA  56  -5.110 -14.569  -6.312
  448    HB1  ALA  56           HB1      ALA  56  -4.989 -13.872  -8.784
  449    HB2  ALA  56           HB2      ALA  56  -3.302 -13.473  -8.456
  450    HB3  ALA  56           HB3      ALA  56  -4.592 -12.654  -7.573
  451    HA   PRO  57           HA       PRO  57  -4.909 -18.698  -7.941
  452    HB2  PRO  57           HB2      PRO  57  -7.468 -18.968  -8.855
  453    HB3  PRO  57           HB3      PRO  57  -7.055 -18.954  -7.129
  454    HG2  PRO  57           HG2      PRO  57  -8.167 -16.772  -8.823
  455    HG3  PRO  57           HG3      PRO  57  -8.552 -17.213  -7.150
  456    HD2  PRO  57           HD2      PRO  57  -6.901 -15.123  -7.830
  457    HD3  PRO  57           HD3      PRO  57  -6.798 -16.001  -6.288
  458    H    LYS  58           H        LYS  58  -4.815 -19.877  -9.893
  459    HA   LYS  58           HA       LYS  58  -4.674 -18.232 -12.349
  460    HB2  LYS  58           HB2      LYS  58  -3.348 -20.865 -11.629
  461    HB3  LYS  58           HB3      LYS  58  -3.230 -20.089 -13.209
  462    HG2  LYS  58           HG2      LYS  58  -2.264 -18.065 -12.112
  463    HG3  LYS  58           HG3      LYS  58  -2.312 -18.909 -10.563
  464    HD2  LYS  58           HD2      LYS  58  -0.838 -20.684 -11.519
  465    HD3  LYS  58           HD3      LYS  58  -0.739 -19.763 -13.020
  466    HE2  LYS  58           HE2      LYS  58   0.422 -17.966 -11.965
  467    HE3  LYS  58           HE3      LYS  58   0.027 -18.556 -10.349
  468    HZ1  LYS  58           HZ1      LYS  58   1.434 -20.441 -10.676
  469    HZ2  LYS  58           HZ2      LYS  58   2.329 -19.052 -11.059
  470    HZ3  LYS  58           HZ3      LYS  58   1.710 -20.032 -12.302
  Start of MODEL    3
    1    H    VAL   1           H        VAL   1   7.918  18.781  -4.324
    2    HA   VAL   1           HA       VAL   1   5.824  19.287  -3.227
    3    HB   VAL   1           HB       VAL   1   7.900  18.154  -1.312
    4   HG11  VAL   1          HG11      VAL   1   4.917  17.624  -1.575
    5   HG12  VAL   1          HG12      VAL   1   5.661  18.609  -0.316
    6   HG13  VAL   1          HG13      VAL   1   6.006  16.884  -0.402
    7   HG21  VAL   1          HG21      VAL   1   6.352  16.865  -3.589
    8   HG22  VAL   1          HG22      VAL   1   7.182  15.945  -2.332
    9   HG23  VAL   1          HG23      VAL   1   8.104  16.980  -3.421
   10    H    ASP   2           H        ASP   2   4.805  20.934  -2.253
   11    HA   ASP   2           HA       ASP   2   6.193  23.047  -0.949
   12    HB2  ASP   2           HB2      ASP   2   3.762  23.707  -0.261
   13    HB3  ASP   2           HB3      ASP   2   4.218  23.761  -1.959
   14    H    ASN   3           H        ASN   3   3.503  21.250   0.566
   15    HA   ASN   3           HA       ASN   3   4.829  21.487   3.162
   16    HB2  ASN   3           HB2      ASN   3   2.063  20.521   2.383
   17    HB3  ASN   3           HB3      ASN   3   2.654  20.631   4.040
   18   HD21  ASN   3          HD21      ASN   3   2.111  22.666   1.116
   19   HD22  ASN   3          HD22      ASN   3   1.832  24.097   1.990
   20    H    LYS   4           H        LYS   4   3.146  18.846   1.411
   21    HA   LYS   4           HA       LYS   4   5.262  16.962   1.782
   22    HB2  LYS   4           HB2      LYS   4   4.223  17.196   4.130
   23    HB3  LYS   4           HB3      LYS   4   2.806  16.403   3.458
   24    HG2  LYS   4           HG2      LYS   4   4.097  14.647   4.413
   25    HG3  LYS   4           HG3      LYS   4   4.412  14.539   2.683
   26    HD2  LYS   4           HD2      LYS   4   6.533  15.713   2.944
   27    HD3  LYS   4           HD3      LYS   4   6.193  16.026   4.645
   28    HE2  LYS   4           HE2      LYS   4   6.213  13.597   5.100
   29    HE3  LYS   4           HE3      LYS   4   6.548  13.280   3.397
   30    HZ1  LYS   4           HZ1      LYS   4   8.575  14.657   3.647
   31    HZ2  LYS   4           HZ2      LYS   4   8.598  13.246   4.588
   32    HZ3  LYS   4           HZ3      LYS   4   8.274  14.746   5.316
   33    H    PHE   5           H        PHE   5   4.853  14.988   0.674
   34    HA   PHE   5           HA       PHE   5   2.768  15.171  -1.329
   35    HB2  PHE   5           HB2      PHE   5   3.843  13.087  -2.256
   36    HB3  PHE   5           HB3      PHE   5   4.888  14.498  -2.166
   37    HD1  PHE   5           HD1      PHE   5   6.576  14.691  -0.304
   38    HD2  PHE   5           HD2      PHE   5   4.334  11.085  -0.994
   39    HE1  PHE   5           HE1      PHE   5   8.213  13.413   1.042
   40    HE2  PHE   5           HE2      PHE   5   5.975   9.812   0.357
   41    HZ   PHE   5           HZ       PHE   5   7.914  10.977   1.375
   42    H    ASN   6           H        ASN   6   1.440  14.982   0.934
   43    HA   ASN   6           HA       ASN   6   0.797  12.399   1.888
   44    HB2  ASN   6           HB2      ASN   6  -0.862  14.933   1.817
   45    HB3  ASN   6           HB3      ASN   6  -1.291  13.485   2.721
   46   HD21  ASN   6          HD21      ASN   6   2.061  13.658   2.857
   47   HD22  ASN   6          HD22      ASN   6   2.215  14.520   4.312
   48    H    LYS   7           H        LYS   7  -0.382  14.265  -0.864
   49    HA   LYS   7           HA       LYS   7  -2.734  12.918  -1.482
   50    HB2  LYS   7           HB2      LYS   7  -0.697  14.239  -3.262
   51    HB3  LYS   7           HB3      LYS   7  -2.235  13.603  -3.861
   52    HG2  LYS   7           HG2      LYS   7  -3.402  14.971  -2.097
   53    HG3  LYS   7           HG3      LYS   7  -1.847  15.713  -1.721
   54    HD2  LYS   7           HD2      LYS   7  -1.668  16.579  -3.989
   55    HD3  LYS   7           HD3      LYS   7  -3.163  15.761  -4.452
   56    HE2  LYS   7           HE2      LYS   7  -4.314  17.042  -2.600
   57    HE3  LYS   7           HE3      LYS   7  -2.840  17.997  -2.441
   58    HZ1  LYS   7           HZ1      LYS   7  -4.551  17.749  -4.857
   59    HZ2  LYS   7           HZ2      LYS   7  -3.048  18.534  -4.837
   60    HZ3  LYS   7           HZ3      LYS   7  -4.331  19.136  -3.900
   61    H    GLU   8           H        GLU   8   0.575  12.167  -2.631
   62    HA   GLU   8           HA       GLU   8  -0.075   9.908  -4.197
   63    HB2  GLU   8           HB2      GLU   8   2.477  10.553  -2.686
   64    HB3  GLU   8           HB3      GLU   8   2.324   9.282  -3.900
   65    HG2  GLU   8           HG2      GLU   8   1.617  11.009  -5.568
   66    HG3  GLU   8           HG3      GLU   8   1.886  12.256  -4.357
   67    H    MET   9           H        MET   9   0.520  10.325  -0.775
   68    HA   MET   9           HA       MET   9   0.739   7.607  -0.022
   69    HB2  MET   9           HB2      MET   9   0.784  10.118   1.267
   70    HB3  MET   9           HB3      MET   9  -0.553   9.248   2.007
   71    HG2  MET   9           HG2      MET   9   0.821   7.634   2.917
   72    HG3  MET   9           HG3      MET   9   2.014   7.758   1.625
   73    HE1  MET   9           HE1      MET   9   3.982   9.001   1.597
   74    HE2  MET   9           HE2      MET   9   4.340  10.495   2.478
   75    HE3  MET   9           HE3      MET   9   3.071  10.478   1.255
   76    H    ARG  10           H        ARG  10  -2.041   9.824  -0.275
   77    HA   ARG  10           HA       ARG  10  -4.011   8.078   0.734
   78    HB2  ARG  10           HB2      ARG  10  -4.242  10.340  -1.269
   79    HB3  ARG  10           HB3      ARG  10  -5.621   9.520  -0.536
   80    HG2  ARG  10           HG2      ARG  10  -4.754  10.153   1.721
   81    HG3  ARG  10           HG3      ARG  10  -3.455  11.052   0.941
   82    HD2  ARG  10           HD2      ARG  10  -5.207  12.402  -0.266
   83    HD3  ARG  10           HD3      ARG  10  -6.430  11.587   0.709
   84    HE   ARG  10           HE       ARG  10  -4.491  12.678   2.441
   85   HH11  ARG  10          HH11      ARG  10  -6.968  13.701   0.226
   86   HH12  ARG  10          HH12      ARG  10  -7.286  15.180   1.065
   87   HH21  ARG  10          HH21      ARG  10  -4.919  14.612   3.523
   88   HH22  ARG  10          HH22      ARG  10  -6.130  15.693   2.924
   89    H    ASN  11           H        ASN  11  -2.723   8.509  -2.544
   90    HA   ASN  11           HA       ASN  11  -4.593   6.879  -3.897
   91    HB2  ASN  11           HB2      ASN  11  -1.732   7.635  -4.504
   92    HB3  ASN  11           HB3      ASN  11  -2.670   6.600  -5.577
   93   HD21  ASN  11          HD21      ASN  11  -3.169   9.724  -3.810
   94   HD22  ASN  11          HD22      ASN  11  -3.937  10.490  -5.117
   95    H    ALA  12           H        ALA  12  -1.297   6.026  -2.740
   96    HA   ALA  12           HA       ALA  12  -1.547   3.267  -3.341
   97    HB1  ALA  12           HB1      ALA  12   0.449   2.952  -1.967
   98    HB2  ALA  12           HB2      ALA  12   0.250   4.563  -1.273
   99    HB3  ALA  12           HB3      ALA  12   0.635   4.381  -2.984
  100    H    TYR  13           H        TYR  13  -2.449   5.162  -0.512
  101    HA   TYR  13           HA       TYR  13  -2.770   3.160   1.411
  102    HB2  TYR  13           HB2      TYR  13  -2.965   5.612   1.819
  103    HB3  TYR  13           HB3      TYR  13  -4.518   5.608   0.998
  104    HD1  TYR  13           HD1      TYR  13  -6.439   4.271   1.972
  105    HD2  TYR  13           HD2      TYR  13  -2.745   4.887   4.087
  106    HE1  TYR  13           HE1      TYR  13  -7.551   3.655   4.101
  107    HE2  TYR  13           HE2      TYR  13  -3.862   4.268   6.211
  108    HH   TYR  13           HH       TYR  13  -6.055   2.724   6.753
  109    H    TRP  14           H        TRP  14  -5.364   4.522  -0.666
  110    HA   TRP  14           HA       TRP  14  -7.226   2.469   0.034
  111    HB2  TRP  14           HB2      TRP  14  -7.274   4.507  -2.201
  112    HB3  TRP  14           HB3      TRP  14  -8.599   3.410  -1.815
  113    HD1  TRP  14           HD1      TRP  14  -7.264   6.731  -0.928
  114    HE1  TRP  14           HE1      TRP  14  -8.452   7.663   1.160
  115    HE3  TRP  14           HE3      TRP  14  -9.659   2.514   0.685
  116    HZ2  TRP  14           HZ2      TRP  14 -10.188   6.747   3.237
  117    HZ3  TRP  14           HZ3      TRP  14 -11.072   2.575   2.719
  118    HH2  TRP  14           HH2      TRP  14 -11.340   4.683   3.996
  119    H    GLU  15           H        GLU  15  -5.053   2.925  -2.759
  120    HA   GLU  15           HA       GLU  15  -6.118   0.897  -4.395
  121    HB2  GLU  15           HB2      GLU  15  -3.338   2.054  -4.167
  122    HB3  GLU  15           HB3      GLU  15  -3.726   0.797  -5.339
  123    HG2  GLU  15           HG2      GLU  15  -5.148   3.474  -5.124
  124    HG3  GLU  15           HG3      GLU  15  -3.927   3.076  -6.322
  125    H    ILE  16           H        ILE  16  -3.676   0.711  -1.810
  126    HA   ILE  16           HA       ILE  16  -3.089  -2.057  -2.177
  127    HB   ILE  16           HB       ILE  16  -2.796  -0.234   0.233
  128   HG12  ILE  16          HG12      ILE  16  -0.657  -1.412  -1.564
  129   HG13  ILE  16          HG13      ILE  16  -1.415   0.135  -1.913
  130   HG21  ILE  16          HG21      ILE  16  -1.943  -3.120  -0.176
  131   HG22  ILE  16          HG22      ILE  16  -2.922  -2.461   1.135
  132   HG23  ILE  16          HG23      ILE  16  -1.207  -2.071   1.038
  133   HD11  ILE  16          HD11      ILE  16   0.634   0.539  -0.671
  134   HD12  ILE  16          HD12      ILE  16   0.143  -0.597   0.585
  135   HD13  ILE  16          HD13      ILE  16  -0.733   0.919   0.374
  136    H    ALA  17           H        ALA  17  -5.280  -0.309   0.034
  137    HA   ALA  17           HA       ALA  17  -6.364  -2.538   1.359
  138    HB1  ALA  17           HB1      ALA  17  -8.152  -1.071   2.042
  139    HB2  ALA  17           HB2      ALA  17  -7.828   0.029   0.701
  140    HB3  ALA  17           HB3      ALA  17  -6.661  -0.130   2.013
  141    H    LEU  18           H        LEU  18  -7.099  -1.164  -1.784
  142    HA   LEU  18           HA       LEU  18  -9.618  -2.315  -2.245
  143    HB2  LEU  18           HB2      LEU  18  -8.550  -0.539  -3.647
  144    HB3  LEU  18           HB3      LEU  18  -7.469  -1.762  -4.306
  145    HG   LEU  18           HG       LEU  18  -9.504  -3.052  -5.075
  146   HD11  LEU  18          HD11      LEU  18 -11.599  -1.539  -5.271
  147   HD12  LEU  18          HD12      LEU  18 -10.862  -0.576  -3.991
  148   HD13  LEU  18          HD13      LEU  18 -11.268  -2.268  -3.702
  149   HD21  LEU  18          HD21      LEU  18  -8.246  -1.592  -6.618
  150   HD22  LEU  18          HD22      LEU  18  -9.222  -0.211  -6.117
  151   HD23  LEU  18          HD23      LEU  18  -9.969  -1.550  -6.987
  152    H    LEU  19           H        LEU  19  -6.356  -3.680  -2.651
  153    HA   LEU  19           HA       LEU  19  -7.132  -5.982  -4.118
  154    HB2  LEU  19           HB2      LEU  19  -4.744  -5.128  -2.567
  155    HB3  LEU  19           HB3      LEU  19  -4.929  -6.854  -2.841
  156    HG   LEU  19           HG       LEU  19  -4.786  -6.634  -5.182
  157   HD11  LEU  19          HD11      LEU  19  -4.809  -4.312  -6.283
  158   HD12  LEU  19          HD12      LEU  19  -5.487  -3.720  -4.766
  159   HD13  LEU  19          HD13      LEU  19  -6.359  -4.929  -5.710
  160   HD21  LEU  19          HD21      LEU  19  -2.740  -5.418  -5.587
  161   HD22  LEU  19          HD22      LEU  19  -2.645  -6.081  -3.956
  162   HD23  LEU  19          HD23      LEU  19  -3.020  -4.376  -4.194
  163    HA   PRO  20           HA       PRO  20  -9.193  -8.000  -0.651
  164    HB2  PRO  20           HB2      PRO  20 -10.561  -9.807  -2.043
  165    HB3  PRO  20           HB3      PRO  20 -10.889  -8.073  -2.255
  166    HG2  PRO  20           HG2      PRO  20  -9.250  -9.898  -3.969
  167    HG3  PRO  20           HG3      PRO  20 -10.465  -8.705  -4.452
  168    HD2  PRO  20           HD2      PRO  20  -7.734  -8.224  -4.451
  169    HD3  PRO  20           HD3      PRO  20  -8.979  -6.959  -4.342
  170    H    ASN  21           H        ASN  21  -7.127  -9.819  -2.927
  171    HA   ASN  21           HA       ASN  21  -7.272 -12.241  -1.350
  172    HB2  ASN  21           HB2      ASN  21  -5.746 -13.164  -3.048
  173    HB3  ASN  21           HB3      ASN  21  -7.152 -12.389  -3.766
  174   HD21  ASN  21          HD21      ASN  21  -5.162 -12.614  -5.522
  175   HD22  ASN  21          HD22      ASN  21  -4.310 -11.156  -5.718
  176    H    LEU  22           H        LEU  22  -5.557  -9.458  -0.794
  177    HA   LEU  22           HA       LEU  22  -3.008 -10.600  -0.098
  178    HB2  LEU  22           HB2      LEU  22  -4.230  -8.031   0.937
  179    HB3  LEU  22           HB3      LEU  22  -2.540  -8.513   1.066
  180    HG   LEU  22           HG       LEU  22  -3.862  -8.279  -1.628
  181   HD11  LEU  22          HD11      LEU  22  -2.871  -5.945  -1.683
  182   HD12  LEU  22          HD12      LEU  22  -2.602  -6.082   0.054
  183   HD13  LEU  22          HD13      LEU  22  -4.244  -6.115  -0.589
  184   HD21  LEU  22          HD21      LEU  22  -1.023  -8.139  -0.563
  185   HD22  LEU  22          HD22      LEU  22  -1.458  -7.711  -2.218
  186   HD23  LEU  22          HD23      LEU  22  -1.709  -9.353  -1.645
  187    H    ASN  23           H        ASN  23  -2.352 -11.489   1.774
  188    HA   ASN  23           HA       ASN  23  -4.182 -12.590   3.606
  189    HB2  ASN  23           HB2      ASN  23  -1.264 -11.919   4.103
  190    HB3  ASN  23           HB3      ASN  23  -2.237 -13.022   5.065
  191   HD21  ASN  23          HD21      ASN  23   0.212 -13.463   3.244
  192   HD22  ASN  23          HD22      ASN  23  -0.269 -14.737   2.228
  193    H    ASN  24           H        ASN  24  -4.904 -11.985   5.657
  194    HA   ASN  24           HA       ASN  24  -5.639  -9.375   6.138
  195    HB2  ASN  24           HB2      ASN  24  -5.147 -11.565   8.170
  196    HB3  ASN  24           HB3      ASN  24  -6.040 -10.079   8.491
  197   HD21  ASN  24          HD21      ASN  24  -8.229  -9.979   7.790
  198   HD22  ASN  24          HD22      ASN  24  -8.996 -11.238   6.946
  199    H    GLN  25           H        GLN  25  -2.711 -10.986   7.363
  200    HA   GLN  25           HA       GLN  25  -1.844  -8.844   9.020
  201    HB2  GLN  25           HB2      GLN  25  -0.293 -11.093   7.703
  202    HB3  GLN  25           HB3      GLN  25   0.384  -9.988   8.901
  203    HG2  GLN  25           HG2      GLN  25  -1.363 -10.699  10.521
  204    HG3  GLN  25           HG3      GLN  25  -1.989 -11.837   9.329
  205   HE21  GLN  25          HE21      GLN  25  -1.196 -13.924   9.623
  206   HE22  GLN  25          HE22      GLN  25   0.314 -14.307  10.294
  207    H    GLN  26           H        GLN  26  -1.169  -9.712   5.647
  208    HA   GLN  26           HA       GLN  26   0.803  -7.740   5.154
  209    HB2  GLN  26           HB2      GLN  26  -1.067  -9.183   3.262
  210    HB3  GLN  26           HB3      GLN  26   0.284  -8.174   2.746
  211    HG2  GLN  26           HG2      GLN  26   1.855  -9.619   3.982
  212    HG3  GLN  26           HG3      GLN  26   0.517 -10.625   4.529
  213   HE21  GLN  26          HE21      GLN  26  -0.993 -11.108   2.314
  214   HE22  GLN  26          HE22      GLN  26  -0.069 -11.823   1.078
  215    H    LYS  27           H        LYS  27  -2.738  -7.687   4.748
  216    HA   LYS  27           HA       LYS  27  -3.016  -5.297   3.317
  217    HB2  LYS  27           HB2      LYS  27  -4.825  -6.459   5.460
  218    HB3  LYS  27           HB3      LYS  27  -5.286  -5.159   4.359
  219    HG2  LYS  27           HG2      LYS  27  -5.014  -6.599   2.436
  220    HG3  LYS  27           HG3      LYS  27  -4.351  -7.888   3.431
  221    HD2  LYS  27           HD2      LYS  27  -6.430  -8.671   3.823
  222    HD3  LYS  27           HD3      LYS  27  -6.866  -7.140   4.576
  223    HE2  LYS  27           HE2      LYS  27  -8.415  -7.412   2.795
  224    HE3  LYS  27           HE3      LYS  27  -7.229  -6.250   2.196
  225    HZ1  LYS  27           HZ1      LYS  27  -6.927  -7.628   0.492
  226    HZ2  LYS  27           HZ2      LYS  27  -7.858  -8.852   1.213
  227    HZ3  LYS  27           HZ3      LYS  27  -6.201  -8.727   1.573
  228    H    ARG  28           H        ARG  28  -3.107  -5.735   6.849
  229    HA   ARG  28           HA       ARG  28  -3.187  -2.942   7.453
  230    HB2  ARG  28           HB2      ARG  28  -4.032  -4.730   8.966
  231    HB3  ARG  28           HB3      ARG  28  -2.373  -5.264   9.227
  232    HG2  ARG  28           HG2      ARG  28  -1.793  -3.067  10.180
  233    HG3  ARG  28           HG3      ARG  28  -3.428  -2.484   9.866
  234    HD2  ARG  28           HD2      ARG  28  -4.320  -4.265  11.360
  235    HD3  ARG  28           HD3      ARG  28  -2.672  -4.771  11.717
  236    HE   ARG  28           HE       ARG  28  -4.038  -2.432  12.757
  237   HH11  ARG  28          HH11      ARG  28  -0.961  -3.905  12.083
  238   HH12  ARG  28          HH12      ARG  28  -0.115  -2.979  13.275
  239   HH21  ARG  28          HH21      ARG  28  -2.918  -1.231  14.301
  240   HH22  ARG  28          HH22      ARG  28  -1.218  -1.471  14.522
  241    H    ALA  29           H        ALA  29  -0.602  -5.338   7.188
  242    HA   ALA  29           HA       ALA  29   1.483  -3.907   8.377
  243    HB1  ALA  29           HB1      ALA  29   2.975  -5.380   7.006
  244    HB2  ALA  29           HB2      ALA  29   1.538  -5.969   6.172
  245    HB3  ALA  29           HB3      ALA  29   1.729  -6.249   7.902
  246    H    PHE  30           H        PHE  30   0.863  -4.185   4.827
  247    HA   PHE  30           HA       PHE  30   2.876  -2.382   4.084
  248    HB2  PHE  30           HB2      PHE  30   0.409  -3.379   2.713
  249    HB3  PHE  30           HB3      PHE  30   1.337  -2.075   1.978
  250    HD1  PHE  30           HD1      PHE  30   3.637  -2.416   1.222
  251    HD2  PHE  30           HD2      PHE  30   1.402  -5.635   2.972
  252    HE1  PHE  30           HE1      PHE  30   5.331  -4.031   0.416
  253    HE2  PHE  30           HE2      PHE  30   3.090  -7.248   2.167
  254    HZ   PHE  30           HZ       PHE  30   5.061  -6.449   0.882
  255    H    ILE  31           H        ILE  31  -0.599  -1.684   4.646
  256    HA   ILE  31           HA       ILE  31  -0.425   1.052   3.973
  257    HB   ILE  31           HB       ILE  31  -2.365  -0.390   5.805
  258   HG12  ILE  31          HG12      ILE  31  -2.541   0.590   2.919
  259   HG13  ILE  31          HG13      ILE  31  -2.375  -1.090   3.422
  260   HG21  ILE  31          HG21      ILE  31  -2.420   1.934   6.453
  261   HG22  ILE  31          HG22      ILE  31  -3.796   1.683   5.382
  262   HG23  ILE  31          HG23      ILE  31  -2.337   2.466   4.774
  263   HD11  ILE  31          HD11      ILE  31  -4.770   0.670   3.445
  264   HD12  ILE  31          HD12      ILE  31  -4.593  -0.401   4.839
  265   HD13  ILE  31          HD13      ILE  31  -4.654  -1.075   3.210
  266    H    ARG  32           H        ARG  32   0.184  -0.649   7.024
  267    HA   ARG  32           HA       ARG  32   0.529   1.707   8.617
  268    HB2  ARG  32           HB2      ARG  32   0.090  -0.564   9.563
  269    HB3  ARG  32           HB3      ARG  32   1.705  -1.059   9.056
  270    HG2  ARG  32           HG2      ARG  32   2.694   0.717  10.474
  271    HG3  ARG  32           HG3      ARG  32   1.079   1.212  10.979
  272    HD2  ARG  32           HD2      ARG  32   0.713  -1.103  11.877
  273    HD3  ARG  32           HD3      ARG  32   2.392  -1.476  11.498
  274    HE   ARG  32           HE       ARG  32   1.434   0.096  13.722
  275   HH11  ARG  32          HH11      ARG  32   4.101  -0.420  11.550
  276   HH12  ARG  32          HH12      ARG  32   5.279   0.211  12.649
  277   HH21  ARG  32          HH21      ARG  32   2.983   0.916  15.136
  278   HH22  ARG  32          HH22      ARG  32   4.649   0.965  14.669
  279    H    SER  33           H        SER  33   2.706  -0.398   6.779
  280    HA   SER  33           HA       SER  33   5.170   0.726   7.517
  281    HB2  SER  33           HB2      SER  33   4.406  -0.517   4.864
  282    HB3  SER  33           HB3      SER  33   6.048  -0.267   5.450
  283    HG   SER  33           HG       SER  33   4.028  -1.838   6.698
  284    H    LEU  34           H        LEU  34   2.794   1.737   5.110
  285    HA   LEU  34           HA       LEU  34   4.319   3.567   3.636
  286    HB2  LEU  34           HB2      LEU  34   1.478   3.026   4.079
  287    HB3  LEU  34           HB3      LEU  34   1.786   4.738   3.818
  288    HG   LEU  34           HG       LEU  34   3.185   2.850   1.976
  289   HD11  LEU  34          HD11      LEU  34   1.133   2.705   0.534
  290   HD12  LEU  34          HD12      LEU  34   0.191   3.325   1.890
  291   HD13  LEU  34          HD13      LEU  34   1.019   1.771   2.026
  292   HD21  LEU  34          HD21      LEU  34   2.655   4.628   0.357
  293   HD22  LEU  34          HD22      LEU  34   3.384   5.330   1.801
  294   HD23  LEU  34          HD23      LEU  34   1.641   5.436   1.550
  295    H    TYR  35           H        TYR  35   2.526   4.038   6.670
  296    HA   TYR  35           HA       TYR  35   3.110   6.814   6.936
  297    HB2  TYR  35           HB2      TYR  35   1.266   5.637   8.149
  298    HB3  TYR  35           HB3      TYR  35   2.477   4.806   9.123
  299    HD1  TYR  35           HD1      TYR  35   1.015   8.124   8.303
  300    HD2  TYR  35           HD2      TYR  35   3.660   5.947  10.903
  301    HE1  TYR  35           HE1      TYR  35   1.133  10.078   9.824
  302    HE2  TYR  35           HE2      TYR  35   3.775   7.905  12.420
  303    HH   TYR  35           HH       TYR  35   3.383  10.624  11.942
  304    H    ASP  36           H        ASP  36   4.648   3.855   8.160
  305    HA   ASP  36           HA       ASP  36   6.624   5.122   9.754
  306    HB2  ASP  36           HB2      ASP  36   5.907   2.707   9.880
  307    HB3  ASP  36           HB3      ASP  36   6.852   2.417   8.421
  308    H    ASP  37           H        ASP  37   6.643   4.075   6.356
  309    HA   ASP  37           HA       ASP  37   9.109   5.646   5.909
  310    HB2  ASP  37           HB2      ASP  37   8.609   2.823   4.916
  311    HB3  ASP  37           HB3      ASP  37   9.961   3.832   4.427
  312    HA   PRO  38           HA       PRO  38   5.673   6.671   2.900
  313    HB2  PRO  38           HB2      PRO  38   6.387   9.355   2.757
  314    HB3  PRO  38           HB3      PRO  38   5.182   8.682   3.871
  315    HG2  PRO  38           HG2      PRO  38   8.020   9.410   4.368
  316    HG3  PRO  38           HG3      PRO  38   6.602   9.588   5.416
  317    HD2  PRO  38           HD2      PRO  38   8.423   7.609   5.776
  318    HD3  PRO  38           HD3      PRO  38   6.701   7.388   6.154
  319    H    SER  39           H        SER  39   9.113   7.220   2.967
  320    HA   SER  39           HA       SER  39   9.548   8.143   0.340
  321    HB2  SER  39           HB2      SER  39  11.851   7.462   0.672
  322    HB3  SER  39           HB3      SER  39  11.243   8.148   2.176
  323    HG   SER  39           HG       SER  39  11.699   5.447   1.482
  324    H    GLN  40           H        GLN  40   8.971   4.912   1.612
  325    HA   GLN  40           HA       GLN  40   9.686   3.621  -0.913
  326    HB2  GLN  40           HB2      GLN  40   8.434   2.273   1.484
  327    HB3  GLN  40           HB3      GLN  40   9.456   1.563   0.239
  328    HG2  GLN  40           HG2      GLN  40  10.352   3.579   2.322
  329    HG3  GLN  40           HG3      GLN  40  10.695   1.857   2.356
  330   HE21  GLN  40          HE21      GLN  40  12.504   1.126   1.175
  331   HE22  GLN  40          HE22      GLN  40  13.437   2.127   0.172
  332    H    SER  41           H        SER  41   7.101   5.365   0.001
  333    HA   SER  41           HA       SER  41   4.756   4.043  -0.180
  334    HB2  SER  41           HB2      SER  41   3.875   6.028  -1.476
  335    HB3  SER  41           HB3      SER  41   4.733   6.413   0.011
  336    HG   SER  41           HG       SER  41   6.382   7.189  -1.125
  337    H    ALA  42           H        ALA  42   6.540   5.087  -3.100
  338    HA   ALA  42           HA       ALA  42   4.788   3.914  -4.972
  339    HB1  ALA  42           HB1      ALA  42   7.763   4.421  -5.253
  340    HB2  ALA  42           HB2      ALA  42   6.495   5.612  -5.548
  341    HB3  ALA  42           HB3      ALA  42   6.619   4.183  -6.575
  342    H    ASN  43           H        ASN  43   7.657   2.654  -3.331
  343    HA   ASN  43           HA       ASN  43   7.826   0.206  -4.783
  344    HB2  ASN  43           HB2      ASN  43   8.834   0.894  -2.011
  345    HB3  ASN  43           HB3      ASN  43   9.269  -0.550  -2.911
  346   HD21  ASN  43          HD21      ASN  43  11.349   1.053  -2.166
  347   HD22  ASN  43          HD22      ASN  43  11.960   1.925  -3.492
  348    H    LEU  44           H        LEU  44   6.392   1.021  -1.616
  349    HA   LEU  44           HA       LEU  44   5.551  -1.549  -0.884
  350    HB2  LEU  44           HB2      LEU  44   4.259   1.095  -0.283
  351    HB3  LEU  44           HB3      LEU  44   3.934  -0.390   0.577
  352    HG   LEU  44           HG       LEU  44   6.632   1.010   0.429
  353   HD11  LEU  44          HD11      LEU  44   6.189   1.236   2.949
  354   HD12  LEU  44          HD12      LEU  44   4.506   0.872   2.565
  355   HD13  LEU  44          HD13      LEU  44   5.282   2.299   1.876
  356   HD21  LEU  44          HD21      LEU  44   7.048  -1.336   0.652
  357   HD22  LEU  44          HD22      LEU  44   5.737  -1.525   1.819
  358   HD23  LEU  44          HD23      LEU  44   7.202  -0.650   2.267
  359    H    LEU  45           H        LEU  45   3.912   0.927  -2.838
  360    HA   LEU  45           HA       LEU  45   1.418  -0.394  -3.109
  361    HB2  LEU  45           HB2      LEU  45   1.549   1.916  -3.711
  362    HB3  LEU  45           HB3      LEU  45   2.876   1.622  -4.825
  363    HG   LEU  45           HG       LEU  45   1.347   0.320  -6.298
  364   HD11  LEU  45          HD11      LEU  45  -0.733   1.078  -4.220
  365   HD12  LEU  45          HD12      LEU  45  -0.231  -0.551  -4.672
  366   HD13  LEU  45          HD13      LEU  45  -1.120   0.445  -5.820
  367   HD21  LEU  45          HD21      LEU  45   0.236   3.051  -5.568
  368   HD22  LEU  45          HD22      LEU  45  -0.002   2.207  -7.099
  369   HD23  LEU  45          HD23      LEU  45   1.606   2.764  -6.642
  370    H    ALA  46           H        ALA  46   4.326  -0.372  -5.136
  371    HA   ALA  46           HA       ALA  46   3.423  -2.190  -7.122
  372    HB1  ALA  46           HB1      ALA  46   5.753  -2.397  -7.745
  373    HB2  ALA  46           HB2      ALA  46   6.277  -1.801  -6.169
  374    HB3  ALA  46           HB3      ALA  46   5.458  -0.718  -7.294
  375    H    GLU  47           H        GLU  47   5.178  -2.622  -4.092
  376    HA   GLU  47           HA       GLU  47   5.614  -5.409  -4.229
  377    HB2  GLU  47           HB2      GLU  47   5.427  -3.424  -1.949
  378    HB3  GLU  47           HB3      GLU  47   5.700  -5.152  -1.662
  379    HG2  GLU  47           HG2      GLU  47   7.433  -3.451  -3.490
  380    HG3  GLU  47           HG3      GLU  47   7.827  -3.789  -1.808
  381    H    ALA  48           H        ALA  48   2.905  -3.485  -2.992
  382    HA   ALA  48           HA       ALA  48   1.465  -5.627  -1.809
  383    HB1  ALA  48           HB1      ALA  48   0.975  -3.242  -1.346
  384    HB2  ALA  48           HB2      ALA  48  -0.462  -4.114  -1.877
  385    HB3  ALA  48           HB3      ALA  48   0.390  -3.051  -2.998
  386    H    LYS  49           H        LYS  49   1.454  -4.176  -5.043
  387    HA   LYS  49           HA       LYS  49  -0.655  -5.720  -6.129
  388    HB2  LYS  49           HB2      LYS  49   0.678  -3.610  -7.056
  389    HB3  LYS  49           HB3      LYS  49   1.639  -4.858  -7.847
  390    HG2  LYS  49           HG2      LYS  49  -0.694  -5.840  -8.556
  391    HG3  LYS  49           HG3      LYS  49  -1.285  -4.222  -8.186
  392    HD2  LYS  49           HD2      LYS  49   0.902  -3.593  -9.687
  393    HD3  LYS  49           HD3      LYS  49   0.457  -5.141 -10.410
  394    HE2  LYS  49           HE2      LYS  49  -1.892  -4.276 -10.666
  395    HE3  LYS  49           HE3      LYS  49  -1.331  -2.704 -10.082
  396    HZ1  LYS  49           HZ1      LYS  49   0.285  -2.690 -11.919
  397    HZ2  LYS  49           HZ2      LYS  49  -1.319  -2.724 -12.470
  398    HZ3  LYS  49           HZ3      LYS  49  -0.379  -4.139 -12.505
  399    H    LYS  50           H        LYS  50   2.816  -6.243  -5.789
  400    HA   LYS  50           HA       LYS  50   3.140  -8.508  -7.413
  401    HB2  LYS  50           HB2      LYS  50   4.955  -7.125  -6.349
  402    HB3  LYS  50           HB3      LYS  50   4.585  -7.912  -4.818
  403    HG2  LYS  50           HG2      LYS  50   5.158 -10.092  -5.726
  404    HG3  LYS  50           HG3      LYS  50   5.344  -9.415  -7.344
  405    HD2  LYS  50           HD2      LYS  50   7.563  -9.587  -6.517
  406    HD3  LYS  50           HD3      LYS  50   7.142  -7.886  -6.322
  407    HE2  LYS  50           HE2      LYS  50   6.464  -8.425  -3.935
  408    HE3  LYS  50           HE3      LYS  50   7.156 -10.029  -4.175
  409    HZ1  LYS  50           HZ1      LYS  50   8.763  -7.657  -4.831
  410    HZ2  LYS  50           HZ2      LYS  50   9.271  -9.195  -4.322
  411    HZ3  LYS  50           HZ3      LYS  50   8.591  -8.109  -3.202
  412    H    LEU  51           H        LEU  51   2.244  -8.203  -3.983
  413    HA   LEU  51           HA       LEU  51   2.122 -10.974  -3.393
  414    HB2  LEU  51           HB2      LEU  51   0.798  -8.549  -2.164
  415    HB3  LEU  51           HB3      LEU  51   0.582 -10.167  -1.498
  416    HG   LEU  51           HG       LEU  51   3.300  -8.887  -1.971
  417   HD11  LEU  51          HD11      LEU  51   1.501  -8.906   0.457
  418   HD12  LEU  51          HD12      LEU  51   2.310  -7.535  -0.298
  419   HD13  LEU  51          HD13      LEU  51   3.249  -8.727   0.600
  420   HD21  LEU  51          HD21      LEU  51   3.630 -11.216  -1.839
  421   HD22  LEU  51          HD22      LEU  51   2.321 -11.435  -0.677
  422   HD23  LEU  51          HD23      LEU  51   3.844 -10.707  -0.166
  423    H    ASN  52           H        ASN  52  -0.318  -8.655  -4.513
  424    HA   ASN  52           HA       ASN  52  -2.549 -10.388  -4.506
  425    HB2  ASN  52           HB2      ASN  52  -2.958  -8.060  -4.715
  426    HB3  ASN  52           HB3      ASN  52  -1.860  -7.900  -6.078
  427   HD21  ASN  52          HD21      ASN  52  -5.060  -9.153  -5.127
  428   HD22  ASN  52          HD22      ASN  52  -5.682  -9.219  -6.707
  429    H    ASP  53           H        ASP  53  -0.241  -9.536  -7.065
  430    HA   ASP  53           HA       ASP  53  -1.352 -11.128  -9.109
  431    HB2  ASP  53           HB2      ASP  53   1.503 -10.202  -8.680
  432    HB3  ASP  53           HB3      ASP  53   0.898 -10.912 -10.170
  433    H    ALA  54           H        ALA  54   1.047 -11.884  -6.607
  434    HA   ALA  54           HA       ALA  54   1.678 -14.486  -7.666
  435    HB1  ALA  54           HB1      ALA  54   2.936 -14.775  -5.575
  436    HB2  ALA  54           HB2      ALA  54   2.205 -13.305  -4.928
  437    HB3  ALA  54           HB3      ALA  54   3.287 -13.214  -6.318
  438    H    GLN  55           H        GLN  55  -0.182 -13.392  -4.815
  439    HA   GLN  55           HA       GLN  55  -0.981 -15.988  -3.985
  440    HB2  GLN  55           HB2      GLN  55  -2.228 -13.283  -3.400
  441    HB3  GLN  55           HB3      GLN  55  -2.669 -14.788  -2.599
  442    HG2  GLN  55           HG2      GLN  55  -0.538 -15.006  -1.579
  443    HG3  GLN  55           HG3      GLN  55   0.193 -13.808  -2.650
  444   HE21  GLN  55          HE21      GLN  55  -1.409 -11.643  -2.547
  445   HE22  GLN  55          HE22      GLN  55  -1.630 -11.085  -0.962
  446    H    ALA  56           H        ALA  56  -2.315 -13.776  -6.346
  447    HA   ALA  56           HA       ALA  56  -4.950 -14.649  -6.481
  448    HB1  ALA  56           HB1      ALA  56  -3.079 -13.498  -8.530
  449    HB2  ALA  56           HB2      ALA  56  -4.479 -12.753  -7.756
  450    HB3  ALA  56           HB3      ALA  56  -4.709 -13.995  -8.988
  451    HA   PRO  57           HA       PRO  57  -4.804 -18.817  -7.943
  452    HB2  PRO  57           HB2      PRO  57  -7.137 -18.845  -9.463
  453    HB3  PRO  57           HB3      PRO  57  -7.064 -19.051  -7.704
  454    HG2  PRO  57           HG2      PRO  57  -7.742 -16.638  -9.297
  455    HG3  PRO  57           HG3      PRO  57  -8.407 -17.201  -7.756
  456    HD2  PRO  57           HD2      PRO  57  -6.619 -15.167  -7.920
  457    HD3  PRO  57           HD3      PRO  57  -6.698 -16.253  -6.518
  458    H    LYS  58           H        LYS  58  -4.846 -20.107  -9.969
  459    HA   LYS  58           HA       LYS  58  -4.001 -20.589 -12.021
  460    HB2  LYS  58           HB2      LYS  58  -6.113 -19.260 -12.572
  461    HB3  LYS  58           HB3      LYS  58  -5.056 -17.884 -12.877
  462    HG2  LYS  58           HG2      LYS  58  -3.753 -19.409 -14.463
  463    HG3  LYS  58           HG3      LYS  58  -5.067 -20.562 -14.278
  464    HD2  LYS  58           HD2      LYS  58  -5.484 -19.245 -16.282
  465    HD3  LYS  58           HD3      LYS  58  -6.674 -18.803 -15.060
  466    HE2  LYS  58           HE2      LYS  58  -5.558 -16.867 -16.336
  467    HE3  LYS  58           HE3      LYS  58  -5.572 -16.740 -14.579
  468    HZ1  LYS  58           HZ1      LYS  58  -3.392 -16.250 -15.692
  469    HZ2  LYS  58           HZ2      LYS  58  -3.298 -17.895 -16.095
  470    HZ3  LYS  58           HZ3      LYS  58  -3.326 -17.423 -14.461
  Start of MODEL    4
    1    H    VAL   1           H        VAL   1   7.378  19.933  -2.611
    2    HA   VAL   1           HA       VAL   1   5.160  20.329  -1.607
    3    HB   VAL   1           HB       VAL   1   6.412  18.219  -1.279
    4   HG11  VAL   1          HG11      VAL   1   8.401  19.406  -0.142
    5   HG12  VAL   1          HG12      VAL   1   7.911  17.851   0.523
    6   HG13  VAL   1          HG13      VAL   1   7.441  19.342   1.336
    7   HG21  VAL   1          HG21      VAL   1   4.217  18.574  -0.146
    8   HG22  VAL   1          HG22      VAL   1   5.072  19.159   1.282
    9   HG23  VAL   1          HG23      VAL   1   5.271  17.489   0.757
   10    H    ASP   2           H        ASP   2   4.015  21.621  -0.308
   11    HA   ASP   2           HA       ASP   2   5.313  23.640   1.273
   12    HB2  ASP   2           HB2      ASP   2   2.380  22.909   0.991
   13    HB3  ASP   2           HB3      ASP   2   2.985  24.334   1.833
   14    H    ASN   3           H        ASN   3   2.667  21.494   2.350
   15    HA   ASN   3           HA       ASN   3   3.819  21.430   5.039
   16    HB2  ASN   3           HB2      ASN   3   1.199  20.319   3.986
   17    HB3  ASN   3           HB3      ASN   3   1.686  20.372   5.679
   18   HD21  ASN   3          HD21      ASN   3   2.599  22.868   6.153
   19   HD22  ASN   3          HD22      ASN   3   1.471  24.057   5.706
   20    H    LYS   4           H        LYS   4   2.439  18.975   2.820
   21    HA   LYS   4           HA       LYS   4   4.662  17.209   2.993
   22    HB2  LYS   4           HB2      LYS   4   3.677  16.984   5.325
   23    HB3  LYS   4           HB3      LYS   4   2.234  16.318   4.573
   24    HG2  LYS   4           HG2      LYS   4   3.567  14.440   5.222
   25    HG3  LYS   4           HG3      LYS   4   3.761  14.578   3.478
   26    HD2  LYS   4           HD2      LYS   4   5.912  15.710   3.763
   27    HD3  LYS   4           HD3      LYS   4   5.697  15.745   5.512
   28    HE2  LYS   4           HE2      LYS   4   5.706  13.144   3.969
   29    HE3  LYS   4           HE3      LYS   4   7.199  13.883   4.547
   30    HZ1  LYS   4           HZ1      LYS   4   4.883  13.346   6.317
   31    HZ2  LYS   4           HZ2      LYS   4   6.468  13.744   6.770
   32    HZ3  LYS   4           HZ3      LYS   4   6.138  12.226   6.081
   33    H    PHE   5           H        PHE   5   4.439  15.428   1.588
   34    HA   PHE   5           HA       PHE   5   2.369  15.706  -0.411
   35    HB2  PHE   5           HB2      PHE   5   3.617  13.740  -1.495
   36    HB3  PHE   5           HB3      PHE   5   4.483  15.263  -1.344
   37    HD1  PHE   5           HD1      PHE   5   6.212  15.566   0.426
   38    HD2  PHE   5           HD2      PHE   5   4.316  11.765  -0.252
   39    HE1  PHE   5           HE1      PHE   5   7.998  14.444   1.721
   40    HE2  PHE   5           HE2      PHE   5   6.109  10.648   1.043
   41    HZ   PHE   5           HZ       PHE   5   7.947  11.988   2.030
   42    H    ASN   6           H        ASN   6   0.900  15.206   1.600
   43    HA   ASN   6           HA       ASN   6   0.463  12.485   2.329
   44    HB2  ASN   6           HB2      ASN   6  -1.501  14.790   2.436
   45    HB3  ASN   6           HB3      ASN   6  -1.588  13.289   3.353
   46   HD21  ASN   6          HD21      ASN   6   1.234  13.132   4.084
   47   HD22  ASN   6          HD22      ASN   6   1.550  14.410   5.158
   48    H    LYS   7           H        LYS   7  -0.707  14.490  -0.310
   49    HA   LYS   7           HA       LYS   7  -3.002  13.135  -1.101
   50    HB2  LYS   7           HB2      LYS   7  -2.139  15.284  -2.058
   51    HB3  LYS   7           HB3      LYS   7  -0.934  14.359  -2.948
   52    HG2  LYS   7           HG2      LYS   7  -2.699  14.666  -4.501
   53    HG3  LYS   7           HG3      LYS   7  -2.928  13.021  -3.914
   54    HD2  LYS   7           HD2      LYS   7  -4.668  13.759  -2.369
   55    HD3  LYS   7           HD3      LYS   7  -4.367  15.447  -2.784
   56    HE2  LYS   7           HE2      LYS   7  -5.063  15.003  -5.113
   57    HE3  LYS   7           HE3      LYS   7  -5.358  13.312  -4.704
   58    HZ1  LYS   7           HZ1      LYS   7  -6.710  15.628  -3.428
   59    HZ2  LYS   7           HZ2      LYS   7  -7.032  13.990  -3.133
   60    HZ3  LYS   7           HZ3      LYS   7  -7.386  14.665  -4.653
   61    H    GLU   8           H        GLU   8   0.368  12.469  -2.057
   62    HA   GLU   8           HA       GLU   8  -0.187  10.326  -3.819
   63    HB2  GLU   8           HB2      GLU   8   2.284  10.920  -2.163
   64    HB3  GLU   8           HB3      GLU   8   2.208   9.704  -3.439
   65    HG2  GLU   8           HG2      GLU   8   1.552  11.488  -5.060
   66    HG3  GLU   8           HG3      GLU   8   1.724  12.685  -3.783
   67    H    MET   9           H        MET   9   0.346  10.464  -0.329
   68    HA   MET   9           HA       MET   9   0.536   7.681   0.154
   69    HB2  MET   9           HB2      MET   9  -0.450   9.897   1.977
   70    HB3  MET   9           HB3      MET   9  -0.026   8.267   2.495
   71    HG2  MET   9           HG2      MET   9   2.270   8.584   1.678
   72    HG3  MET   9           HG3      MET   9   1.859  10.203   1.117
   73    HE1  MET   9           HE1      MET   9   4.204  10.872   4.054
   74    HE2  MET   9           HE2      MET   9   3.624  11.584   2.537
   75    HE3  MET   9           HE3      MET   9   4.196   9.912   2.575
   76    H    ARG  10           H        ARG  10  -2.233   9.912   0.066
   77    HA   ARG  10           HA       ARG  10  -4.216   8.093   0.919
   78    HB2  ARG  10           HB2      ARG  10  -4.410  10.504  -0.911
   79    HB3  ARG  10           HB3      ARG  10  -5.806   9.624  -0.287
   80    HG2  ARG  10           HG2      ARG  10  -5.027  10.085   2.037
   81    HG3  ARG  10           HG3      ARG  10  -3.691  11.029   1.381
   82    HD2  ARG  10           HD2      ARG  10  -5.391  12.483   0.214
   83    HD3  ARG  10           HD3      ARG  10  -6.652  11.609   1.084
   84    HE   ARG  10           HE       ARG  10  -4.785  12.534   2.971
   85   HH11  ARG  10          HH11      ARG  10  -7.099  13.799   0.706
   86   HH12  ARG  10          HH12      ARG  10  -7.411  15.229   1.630
   87   HH21  ARG  10          HH21      ARG  10  -5.204  14.403   4.162
   88   HH22  ARG  10          HH22      ARG  10  -6.343  15.569   3.577
   89    H    ASN  11           H        ASN  11  -2.851   8.786  -2.281
   90    HA   ASN  11           HA       ASN  11  -4.653   7.279  -3.832
   91    HB2  ASN  11           HB2      ASN  11  -2.909   8.876  -4.702
   92    HB3  ASN  11           HB3      ASN  11  -1.696   7.637  -4.389
   93   HD21  ASN  11          HD21      ASN  11  -1.259   6.368  -6.197
   94   HD22  ASN  11          HD22      ASN  11  -2.363   6.032  -7.442
   95    H    ALA  12           H        ALA  12  -1.439   6.300  -2.553
   96    HA   ALA  12           HA       ALA  12  -1.725   3.574  -3.352
   97    HB1  ALA  12           HB1      ALA  12   0.489   4.537  -2.967
   98    HB2  ALA  12           HB2      ALA  12   0.238   3.149  -1.910
   99    HB3  ALA  12           HB3      ALA  12   0.106   4.787  -1.263
  100    H    TYR  13           H        TYR  13  -2.640   5.346  -0.456
  101    HA   TYR  13           HA       TYR  13  -2.978   3.293   1.403
  102    HB2  TYR  13           HB2      TYR  13  -3.204   5.697   1.923
  103    HB3  TYR  13           HB3      TYR  13  -4.699   5.762   1.005
  104    HD1  TYR  13           HD1      TYR  13  -6.709   4.441   1.795
  105    HD2  TYR  13           HD2      TYR  13  -3.156   4.877   4.179
  106    HE1  TYR  13           HE1      TYR  13  -7.976   3.757   3.811
  107    HE2  TYR  13           HE2      TYR  13  -4.432   4.198   6.194
  108    HH   TYR  13           HH       TYR  13  -6.931   2.602   6.335
  109    H    TRP  14           H        TRP  14  -5.519   4.652  -0.733
  110    HA   TRP  14           HA       TRP  14  -7.412   2.615  -0.095
  111    HB2  TRP  14           HB2      TRP  14  -7.321   4.575  -2.396
  112    HB3  TRP  14           HB3      TRP  14  -8.666   3.490  -2.051
  113    HD1  TRP  14           HD1      TRP  14  -7.407   6.851  -1.228
  114    HE1  TRP  14           HE1      TRP  14  -8.712   7.859   0.752
  115    HE3  TRP  14           HE3      TRP  14  -9.854   2.684   0.434
  116    HZ2  TRP  14           HZ2      TRP  14 -10.551   7.015   2.771
  117    HZ3  TRP  14           HZ3      TRP  14 -11.376   2.817   2.386
  118    HH2  TRP  14           HH2      TRP  14 -11.728   4.976   3.556
  119    H    GLU  15           H        GLU  15  -5.132   3.037  -2.808
  120    HA   GLU  15           HA       GLU  15  -6.097   0.927  -4.409
  121    HB2  GLU  15           HB2      GLU  15  -3.355   2.174  -4.169
  122    HB3  GLU  15           HB3      GLU  15  -3.721   0.913  -5.344
  123    HG2  GLU  15           HG2      GLU  15  -5.164   3.578  -5.122
  124    HG3  GLU  15           HG3      GLU  15  -3.963   3.170  -6.341
  125    H    ILE  16           H        ILE  16  -3.714   0.910  -1.759
  126    HA   ILE  16           HA       ILE  16  -2.951  -1.818  -2.065
  127    HB   ILE  16           HB       ILE  16  -2.861   0.060   0.314
  128   HG12  ILE  16          HG12      ILE  16  -0.575  -1.102  -1.302
  129   HG13  ILE  16          HG13      ILE  16  -1.376   0.390  -1.778
  130   HG21  ILE  16          HG21      ILE  16  -2.975  -2.168   1.253
  131   HG22  ILE  16          HG22      ILE  16  -1.289  -1.667   1.297
  132   HG23  ILE  16          HG23      ILE  16  -1.839  -2.789   0.055
  133   HD11  ILE  16          HD11      ILE  16  -0.793   1.440   0.340
  134   HD12  ILE  16          HD12      ILE  16   0.670   0.768  -0.378
  135   HD13  ILE  16          HD13      ILE  16  -0.129  -0.074   0.949
  136    H    ALA  17           H        ALA  17  -5.287  -0.233   0.129
  137    HA   ALA  17           HA       ALA  17  -6.284  -2.571   1.343
  138    HB1  ALA  17           HB1      ALA  17  -8.209  -1.181   1.993
  139    HB2  ALA  17           HB2      ALA  17  -7.710   0.054   0.836
  140    HB3  ALA  17           HB3      ALA  17  -6.691  -0.313   2.228
  141    H    LEU  18           H        LEU  18  -7.017  -1.083  -1.735
  142    HA   LEU  18           HA       LEU  18  -9.509  -2.244  -2.291
  143    HB2  LEU  18           HB2      LEU  18  -8.427  -0.407  -3.607
  144    HB3  LEU  18           HB3      LEU  18  -7.327  -1.602  -4.285
  145    HG   LEU  18           HG       LEU  18  -9.326  -2.869  -5.154
  146   HD11  LEU  18          HD11      LEU  18 -11.125  -2.183  -3.774
  147   HD12  LEU  18          HD12      LEU  18 -11.444  -1.387  -5.313
  148   HD13  LEU  18          HD13      LEU  18 -10.746  -0.472  -3.978
  149   HD21  LEU  18          HD21      LEU  18  -8.072  -1.322  -6.608
  150   HD22  LEU  18          HD22      LEU  18  -9.071   0.022  -6.054
  151   HD23  LEU  18          HD23      LEU  18  -9.791  -1.283  -6.998
  152    H    LEU  19           H        LEU  19  -6.238  -3.594  -2.582
  153    HA   LEU  19           HA       LEU  19  -6.777  -5.737  -4.283
  154    HB2  LEU  19           HB2      LEU  19  -4.851  -5.644  -1.971
  155    HB3  LEU  19           HB3      LEU  19  -4.860  -6.886  -3.209
  156    HG   LEU  19           HG       LEU  19  -3.777  -4.134  -3.311
  157   HD11  LEU  19          HD11      LEU  19  -2.707  -6.517  -3.687
  158   HD12  LEU  19          HD12      LEU  19  -2.158  -5.138  -4.634
  159   HD13  LEU  19          HD13      LEU  19  -3.298  -6.290  -5.332
  160   HD21  LEU  19          HD21      LEU  19  -4.186  -3.874  -5.763
  161   HD22  LEU  19          HD22      LEU  19  -5.666  -3.701  -4.822
  162   HD23  LEU  19          HD23      LEU  19  -5.338  -5.204  -5.692
  163    HA   PRO  20           HA       PRO  20  -9.416  -8.240  -1.725
  164    HB2  PRO  20           HB2      PRO  20  -9.963 -10.173  -3.487
  165    HB3  PRO  20           HB3      PRO  20 -10.446  -8.490  -3.781
  166    HG2  PRO  20           HG2      PRO  20  -8.209 -10.047  -4.968
  167    HG3  PRO  20           HG3      PRO  20  -9.239  -8.807  -5.701
  168    HD2  PRO  20           HD2      PRO  20  -6.641  -8.427  -4.625
  169    HD3  PRO  20           HD3      PRO  20  -7.771  -7.157  -5.132
  170    H    ASN  21           H        ASN  21  -6.777 -10.065  -3.346
  171    HA   ASN  21           HA       ASN  21  -7.079 -12.275  -1.490
  172    HB2  ASN  21           HB2      ASN  21  -5.345 -13.347  -2.933
  173    HB3  ASN  21           HB3      ASN  21  -6.784 -12.818  -3.796
  174   HD21  ASN  21          HD21      ASN  21  -5.043 -12.974  -5.642
  175   HD22  ASN  21          HD22      ASN  21  -4.172 -11.542  -5.946
  176    H    LEU  22           H        LEU  22  -5.336  -9.422  -1.149
  177    HA   LEU  22           HA       LEU  22  -2.840 -10.463  -0.234
  178    HB2  LEU  22           HB2      LEU  22  -4.204  -7.916   0.671
  179    HB3  LEU  22           HB3      LEU  22  -2.534  -8.372   1.011
  180    HG   LEU  22           HG       LEU  22  -3.633  -8.002  -1.773
  181   HD11  LEU  22          HD11      LEU  22  -2.531  -5.834  -1.749
  182   HD12  LEU  22          HD12      LEU  22  -1.827  -6.156  -0.168
  183   HD13  LEU  22          HD13      LEU  22  -3.563  -5.902  -0.323
  184   HD21  LEU  22          HD21      LEU  22  -1.063  -7.787  -2.140
  185   HD22  LEU  22          HD22      LEU  22  -1.733  -9.400  -1.917
  186   HD23  LEU  22          HD23      LEU  22  -0.923  -8.583  -0.576
  187    H    ASN  23           H        ASN  23  -2.197 -11.241   1.686
  188    HA   ASN  23           HA       ASN  23  -4.043 -12.426   3.450
  189    HB2  ASN  23           HB2      ASN  23  -1.618 -13.055   3.202
  190    HB3  ASN  23           HB3      ASN  23  -1.211 -11.632   4.156
  191   HD21  ASN  23          HD21      ASN  23  -0.420 -12.794   6.004
  192   HD22  ASN  23          HD22      ASN  23  -1.433 -13.744   6.978
  193    H    ASN  24           H        ASN  24  -4.466 -11.954   5.716
  194    HA   ASN  24           HA       ASN  24  -5.567  -9.460   6.187
  195    HB2  ASN  24           HB2      ASN  24  -6.077 -11.540   7.454
  196    HB3  ASN  24           HB3      ASN  24  -4.534 -11.387   8.287
  197   HD21  ASN  24          HD21      ASN  24  -7.616  -9.603   7.744
  198   HD22  ASN  24          HD22      ASN  24  -7.570  -8.780   9.230
  199    H    GLN  25           H        GLN  25  -2.436 -10.651   7.456
  200    HA   GLN  25           HA       GLN  25  -1.769  -8.188   8.736
  201    HB2  GLN  25           HB2      GLN  25   0.025 -10.485   7.905
  202    HB3  GLN  25           HB3      GLN  25   0.482  -9.176   8.991
  203    HG2  GLN  25           HG2      GLN  25  -1.767 -11.157   9.472
  204    HG3  GLN  25           HG3      GLN  25  -0.188 -11.194  10.246
  205   HE21  GLN  25          HE21      GLN  25  -3.345 -10.154  10.738
  206   HE22  GLN  25          HE22      GLN  25  -3.040  -8.947  11.893
  207    H    GLN  26           H        GLN  26  -0.893  -9.604   5.605
  208    HA   GLN  26           HA       GLN  26   1.073  -7.766   4.840
  209    HB2  GLN  26           HB2      GLN  26  -0.869  -9.375   3.169
  210    HB3  GLN  26           HB3      GLN  26   0.493  -8.473   2.498
  211    HG2  GLN  26           HG2      GLN  26   2.063  -9.778   3.877
  212    HG3  GLN  26           HG3      GLN  26   0.721 -10.664   4.594
  213   HE21  GLN  26          HE21      GLN  26  -0.836 -11.064   2.182
  214   HE22  GLN  26          HE22      GLN  26   0.038 -12.120   1.177
  215    H    LYS  27           H        LYS  27  -2.458  -7.614   4.338
  216    HA   LYS  27           HA       LYS  27  -2.501  -5.342   2.682
  217    HB2  LYS  27           HB2      LYS  27  -4.442  -6.859   3.124
  218    HB3  LYS  27           HB3      LYS  27  -4.603  -6.128   4.720
  219    HG2  LYS  27           HG2      LYS  27  -4.881  -3.892   3.629
  220    HG3  LYS  27           HG3      LYS  27  -4.822  -4.680   2.054
  221    HD2  LYS  27           HD2      LYS  27  -6.835  -5.425   4.199
  222    HD3  LYS  27           HD3      LYS  27  -7.159  -4.215   2.960
  223    HE2  LYS  27           HE2      LYS  27  -6.154  -6.444   1.551
  224    HE3  LYS  27           HE3      LYS  27  -7.253  -7.115   2.755
  225    HZ1  LYS  27           HZ1      LYS  27  -9.037  -6.052   1.858
  226    HZ2  LYS  27           HZ2      LYS  27  -8.112  -6.246   0.445
  227    HZ3  LYS  27           HZ3      LYS  27  -8.122  -4.750   1.256
  228    H    ARG  28           H        ARG  28  -2.847  -5.561   6.226
  229    HA   ARG  28           HA       ARG  28  -2.937  -2.725   6.631
  230    HB2  ARG  28           HB2      ARG  28  -2.396  -5.006   8.555
  231    HB3  ARG  28           HB3      ARG  28  -2.634  -3.326   9.038
  232    HG2  ARG  28           HG2      ARG  28  -4.885  -3.358   7.968
  233    HG3  ARG  28           HG3      ARG  28  -4.649  -5.057   7.557
  234    HD2  ARG  28           HD2      ARG  28  -5.944  -4.967   9.594
  235    HD3  ARG  28           HD3      ARG  28  -4.328  -5.534  10.011
  236    HE   ARG  28           HE       ARG  28  -4.387  -2.726  10.274
  237   HH11  ARG  28          HH11      ARG  28  -5.734  -5.573  11.744
  238   HH12  ARG  28          HH12      ARG  28  -5.882  -4.848  13.309
  239   HH21  ARG  28          HH21      ARG  28  -4.588  -1.797  12.319
  240   HH22  ARG  28          HH22      ARG  28  -5.237  -2.720  13.633
  241    H    ALA  29           H        ALA  29  -0.377  -5.131   6.567
  242    HA   ALA  29           HA       ALA  29   1.654  -3.725   7.880
  243    HB1  ALA  29           HB1      ALA  29   1.810  -5.783   5.671
  244    HB2  ALA  29           HB2      ALA  29   1.910  -6.070   7.408
  245    HB3  ALA  29           HB3      ALA  29   3.207  -5.206   6.580
  246    H    PHE  30           H        PHE  30   0.894  -3.758   4.349
  247    HA   PHE  30           HA       PHE  30   3.063  -2.135   3.578
  248    HB2  PHE  30           HB2      PHE  30   0.352  -2.584   2.337
  249    HB3  PHE  30           HB3      PHE  30   1.556  -1.535   1.590
  250    HD1  PHE  30           HD1      PHE  30   4.045  -2.636   1.656
  251    HD2  PHE  30           HD2      PHE  30   0.340  -4.806   1.563
  252    HE1  PHE  30           HE1      PHE  30   5.227  -4.600   0.738
  253    HE2  PHE  30           HE2      PHE  30   1.525  -6.775   0.640
  254    HZ   PHE  30           HZ       PHE  30   3.975  -6.668   0.226
  255    H    ILE  31           H        ILE  31  -0.305  -1.107   4.250
  256    HA   ILE  31           HA       ILE  31   0.136   1.642   3.891
  257    HB   ILE  31           HB       ILE  31  -1.917   0.194   5.594
  258   HG12  ILE  31          HG12      ILE  31  -2.037   1.463   2.823
  259   HG13  ILE  31          HG13      ILE  31  -1.994  -0.265   3.152
  260   HG21  ILE  31          HG21      ILE  31  -1.784   3.118   4.766
  261   HG22  ILE  31          HG22      ILE  31  -1.661   2.501   6.413
  262   HG23  ILE  31          HG23      ILE  31  -3.172   2.344   5.527
  263   HD11  ILE  31          HD11      ILE  31  -4.149  -0.003   4.441
  264   HD12  ILE  31          HD12      ILE  31  -4.297   0.365   2.721
  265   HD13  ILE  31          HD13      ILE  31  -4.209   1.675   3.897
  266    H    ARG  32           H        ARG  32   0.519  -0.398   6.780
  267    HA   ARG  32           HA       ARG  32   1.064   1.712   8.612
  268    HB2  ARG  32           HB2      ARG  32   0.495  -0.624   9.287
  269    HB3  ARG  32           HB3      ARG  32   2.072  -1.150   8.703
  270    HG2  ARG  32           HG2      ARG  32   3.195   0.326  10.315
  271    HG3  ARG  32           HG3      ARG  32   1.637   0.945  10.862
  272    HD2  ARG  32           HD2      ARG  32   2.315  -0.733  12.449
  273    HD3  ARG  32           HD3      ARG  32   1.016  -1.427  11.489
  274    HE   ARG  32           HE       ARG  32   2.527  -2.970  10.638
  275   HH11  ARG  32          HH11      ARG  32   4.244  -0.339  12.129
  276   HH12  ARG  32          HH12      ARG  32   5.788  -1.111  12.005
  277   HH21  ARG  32          HH21      ARG  32   4.547  -3.959  10.484
  278   HH22  ARG  32          HH22      ARG  32   5.958  -3.149  11.077
  279    H    SER  33           H        SER  33   3.136  -0.322   6.567
  280    HA   SER  33           HA       SER  33   5.642   0.654   7.413
  281    HB2  SER  33           HB2      SER  33   4.841  -0.444   4.707
  282    HB3  SER  33           HB3      SER  33   6.495  -0.234   5.271
  283    HG   SER  33           HG       SER  33   4.468  -1.886   6.385
  284    H    LEU  34           H        LEU  34   3.295   1.903   5.109
  285    HA   LEU  34           HA       LEU  34   4.858   3.745   3.699
  286    HB2  LEU  34           HB2      LEU  34   2.084   3.162   4.002
  287    HB3  LEU  34           HB3      LEU  34   2.265   4.891   4.261
  288    HG   LEU  34           HG       LEU  34   3.813   3.848   1.961
  289   HD11  LEU  34          HD11      LEU  34   0.785   3.905   1.799
  290   HD12  LEU  34          HD12      LEU  34   1.747   2.426   1.867
  291   HD13  LEU  34          HD13      LEU  34   1.908   3.523   0.493
  292   HD21  LEU  34          HD21      LEU  34   2.794   5.865   0.892
  293   HD22  LEU  34          HD22      LEU  34   3.601   6.254   2.412
  294   HD23  LEU  34          HD23      LEU  34   1.841   6.131   2.350
  295    H    TYR  35           H        TYR  35   3.112   4.146   6.773
  296    HA   TYR  35           HA       TYR  35   3.886   6.844   7.230
  297    HB2  TYR  35           HB2      TYR  35   2.005   5.696   8.411
  298    HB3  TYR  35           HB3      TYR  35   3.184   4.715   9.278
  299    HD1  TYR  35           HD1      TYR  35   1.927   8.175   8.761
  300    HD2  TYR  35           HD2      TYR  35   4.481   5.630  11.107
  301    HE1  TYR  35           HE1      TYR  35   2.213   9.991  10.425
  302    HE2  TYR  35           HE2      TYR  35   4.763   7.450  12.767
  303    HH   TYR  35           HH       TYR  35   2.971   9.758  13.285
  304    H    ASP  36           H        ASP  36   5.252   3.706   8.173
  305    HA   ASP  36           HA       ASP  36   7.341   4.646   9.814
  306    HB2  ASP  36           HB2      ASP  36   6.573   2.274   9.663
  307    HB3  ASP  36           HB3      ASP  36   7.361   2.156   8.092
  308    H    ASP  37           H        ASP  37   7.169   4.205   6.291
  309    HA   ASP  37           HA       ASP  37   9.538   5.887   5.982
  310    HB2  ASP  37           HB2      ASP  37  10.095   3.278   6.122
  311    HB3  ASP  37           HB3      ASP  37   9.641   3.334   4.427
  312    HA   PRO  38           HA       PRO  38   6.201   6.927   2.933
  313    HB2  PRO  38           HB2      PRO  38   7.906   9.379   2.850
  314    HB3  PRO  38           HB3      PRO  38   6.147   9.231   2.989
  315    HG2  PRO  38           HG2      PRO  38   7.648   9.901   5.077
  316    HG3  PRO  38           HG3      PRO  38   6.219   8.868   5.257
  317    HD2  PRO  38           HD2      PRO  38   9.111   8.108   5.321
  318    HD3  PRO  38           HD3      PRO  38   7.740   7.419   6.220
  319    H    SER  39           H        SER  39   9.686   6.978   2.745
  320    HA   SER  39           HA       SER  39  10.102   7.581   0.040
  321    HB2  SER  39           HB2      SER  39  11.775   5.574   1.546
  322    HB3  SER  39           HB3      SER  39  12.281   6.724   0.314
  323    HG   SER  39           HG       SER  39  11.906   7.054   3.022
  324    H    GLN  40           H        GLN  40   9.168   4.548   1.601
  325    HA   GLN  40           HA       GLN  40   9.509   2.996  -0.839
  326    HB2  GLN  40           HB2      GLN  40   8.325   2.219   1.837
  327    HB3  GLN  40           HB3      GLN  40   8.720   1.114   0.526
  328    HG2  GLN  40           HG2      GLN  40  11.107   1.913   0.666
  329    HG3  GLN  40           HG3      GLN  40  10.649   2.828   2.098
  330   HE21  GLN  40          HE21      GLN  40  12.033  -0.062   1.213
  331   HE22  GLN  40          HE22      GLN  40  11.618  -0.991   2.571
  332    H    SER  41           H        SER  41   7.175   5.150   0.066
  333    HA   SER  41           HA       SER  41   4.685   4.099  -0.072
  334    HB2  SER  41           HB2      SER  41   4.017   6.139  -1.393
  335    HB3  SER  41           HB3      SER  41   4.954   6.466   0.061
  336    HG   SER  41           HG       SER  41   6.658   6.995  -1.140
  337    H    ALA  42           H        ALA  42   6.520   4.927  -3.025
  338    HA   ALA  42           HA       ALA  42   4.660   3.829  -4.847
  339    HB1  ALA  42           HB1      ALA  42   6.455   4.002  -6.489
  340    HB2  ALA  42           HB2      ALA  42   7.650   4.168  -5.201
  341    HB3  ALA  42           HB3      ALA  42   6.451   5.436  -5.461
  342    H    ASN  43           H        ASN  43   7.478   2.448  -3.217
  343    HA   ASN  43           HA       ASN  43   7.541  -0.010  -4.663
  344    HB2  ASN  43           HB2      ASN  43   8.578   0.621  -1.889
  345    HB3  ASN  43           HB3      ASN  43   8.983  -0.808  -2.830
  346   HD21  ASN  43          HD21      ASN  43  11.034   0.877  -1.982
  347   HD22  ASN  43          HD22      ASN  43  11.682   1.716  -3.310
  348    H    LEU  44           H        LEU  44   6.191   0.858  -1.483
  349    HA   LEU  44           HA       LEU  44   5.272  -1.665  -0.707
  350    HB2  LEU  44           HB2      LEU  44   4.091   1.041  -0.123
  351    HB3  LEU  44           HB3      LEU  44   3.732  -0.420   0.770
  352    HG   LEU  44           HG       LEU  44   6.573   0.631   0.490
  353   HD11  LEU  44          HD11      LEU  44   5.491   2.433   1.568
  354   HD12  LEU  44          HD12      LEU  44   6.166   1.476   2.886
  355   HD13  LEU  44          HD13      LEU  44   4.447   1.364   2.505
  356   HD21  LEU  44          HD21      LEU  44   6.993  -0.735   2.459
  357   HD22  LEU  44          HD22      LEU  44   6.244  -1.738   1.219
  358   HD23  LEU  44          HD23      LEU  44   5.285  -1.153   2.578
  359    H    LEU  45           H        LEU  45   3.683   0.857  -2.640
  360    HA   LEU  45           HA       LEU  45   1.142  -0.370  -2.879
  361    HB2  LEU  45           HB2      LEU  45   1.419   1.947  -3.465
  362    HB3  LEU  45           HB3      LEU  45   2.660   1.558  -4.645
  363    HG   LEU  45           HG       LEU  45   0.964   0.351  -6.017
  364   HD11  LEU  45          HD11      LEU  45  -0.925   1.301  -3.842
  365   HD12  LEU  45          HD12      LEU  45  -0.593  -0.368  -4.308
  366   HD13  LEU  45          HD13      LEU  45  -1.456   0.700  -5.412
  367   HD21  LEU  45          HD21      LEU  45  -0.286   2.346  -6.759
  368   HD22  LEU  45          HD22      LEU  45   1.400   2.747  -6.440
  369   HD23  LEU  45          HD23      LEU  45   0.154   3.182  -5.270
  370    H    ALA  46           H        ALA  46   3.981  -0.405  -5.019
  371    HA   ALA  46           HA       ALA  46   2.966  -2.230  -6.950
  372    HB1  ALA  46           HB1      ALA  46   5.005  -0.783  -7.233
  373    HB2  ALA  46           HB2      ALA  46   5.251  -2.471  -7.684
  374    HB3  ALA  46           HB3      ALA  46   5.863  -1.871  -6.138
  375    H    GLU  47           H        GLU  47   4.681  -2.659  -3.907
  376    HA   GLU  47           HA       GLU  47   5.219  -5.426  -4.094
  377    HB2  GLU  47           HB2      GLU  47   4.936  -3.467  -1.817
  378    HB3  GLU  47           HB3      GLU  47   5.160  -5.192  -1.499
  379    HG2  GLU  47           HG2      GLU  47   7.002  -3.599  -3.306
  380    HG3  GLU  47           HG3      GLU  47   7.304  -3.805  -1.585
  381    H    ALA  48           H        ALA  48   2.369  -3.587  -3.165
  382    HA   ALA  48           HA       ALA  48   0.834  -5.734  -2.070
  383    HB1  ALA  48           HB1      ALA  48   0.408  -3.139  -2.020
  384    HB2  ALA  48           HB2      ALA  48  -0.966  -4.240  -2.087
  385    HB3  ALA  48           HB3      ALA  48  -0.414  -3.429  -3.552
  386    H    LYS  49           H        LYS  49   1.200  -4.309  -5.280
  387    HA   LYS  49           HA       LYS  49  -0.641  -5.957  -6.667
  388    HB2  LYS  49           HB2      LYS  49   1.653  -4.197  -7.420
  389    HB3  LYS  49           HB3      LYS  49   1.080  -5.342  -8.621
  390    HG2  LYS  49           HG2      LYS  49  -0.908  -3.627  -7.152
  391    HG3  LYS  49           HG3      LYS  49   0.012  -2.939  -8.490
  392    HD2  LYS  49           HD2      LYS  49  -0.916  -4.396 -10.068
  393    HD3  LYS  49           HD3      LYS  49  -1.343  -5.601  -8.853
  394    HE2  LYS  49           HE2      LYS  49  -3.184  -4.282  -8.062
  395    HE3  LYS  49           HE3      LYS  49  -2.645  -2.864  -8.964
  396    HZ1  LYS  49           HZ1      LYS  49  -3.480  -5.420 -10.224
  397    HZ2  LYS  49           HZ2      LYS  49  -3.129  -3.960 -11.013
  398    HZ3  LYS  49           HZ3      LYS  49  -4.504  -4.080 -10.022
  399    H    LYS  50           H        LYS  50   2.766  -6.338  -5.810
  400    HA   LYS  50           HA       LYS  50   3.351  -8.597  -7.400
  401    HB2  LYS  50           HB2      LYS  50   4.991  -7.109  -6.183
  402    HB3  LYS  50           HB3      LYS  50   4.531  -7.936  -4.697
  403    HG2  LYS  50           HG2      LYS  50   5.247 -10.088  -5.630
  404    HG3  LYS  50           HG3      LYS  50   5.623  -9.318  -7.171
  405    HD2  LYS  50           HD2      LYS  50   7.721  -9.441  -6.097
  406    HD3  LYS  50           HD3      LYS  50   7.197  -7.783  -5.801
  407    HE2  LYS  50           HE2      LYS  50   6.326  -8.485  -3.571
  408    HE3  LYS  50           HE3      LYS  50   6.937 -10.112  -3.868
  409    HZ1  LYS  50           HZ1      LYS  50   9.146  -8.867  -4.314
  410    HZ2  LYS  50           HZ2      LYS  50   8.659  -9.155  -2.715
  411    HZ3  LYS  50           HZ3      LYS  50   8.431  -7.618  -3.408
  412    H    LEU  51           H        LEU  51   2.348  -8.349  -3.972
  413    HA   LEU  51           HA       LEU  51   2.228 -11.136  -3.503
  414    HB2  LEU  51           HB2      LEU  51   1.294  -8.688  -2.103
  415    HB3  LEU  51           HB3      LEU  51   0.458 -10.180  -1.667
  416    HG   LEU  51           HG       LEU  51   3.485 -10.033  -1.778
  417   HD11  LEU  51          HD11      LEU  51   1.665  -9.384   0.557
  418   HD12  LEU  51          HD12      LEU  51   2.814  -8.305  -0.226
  419   HD13  LEU  51          HD13      LEU  51   3.397  -9.683   0.701
  420   HD21  LEU  51          HD21      LEU  51   2.516 -12.282  -1.711
  421   HD22  LEU  51          HD22      LEU  51   1.502 -11.836  -0.340
  422   HD23  LEU  51          HD23      LEU  51   3.252 -11.926  -0.152
  423    H    ASN  52           H        ASN  52  -0.228  -8.808  -4.570
  424    HA   ASN  52           HA       ASN  52  -2.439 -10.555  -4.567
  425    HB2  ASN  52           HB2      ASN  52  -2.948  -8.293  -4.797
  426    HB3  ASN  52           HB3      ASN  52  -1.776  -8.045  -6.084
  427   HD21  ASN  52          HD21      ASN  52  -4.937  -9.601  -5.382
  428   HD22  ASN  52          HD22      ASN  52  -5.477  -9.573  -6.994
  429    H    ASP  53           H        ASP  53  -0.113  -9.742  -7.137
  430    HA   ASP  53           HA       ASP  53  -1.235 -11.388  -9.145
  431    HB2  ASP  53           HB2      ASP  53   0.410  -9.577  -9.541
  432    HB3  ASP  53           HB3      ASP  53   1.659 -10.555  -8.800
  433    H    ALA  54           H        ALA  54   1.179 -12.021  -6.634
  434    HA   ALA  54           HA       ALA  54   1.859 -14.613  -7.623
  435    HB1  ALA  54           HB1      ALA  54   2.361 -13.315  -4.936
  436    HB2  ALA  54           HB2      ALA  54   3.460 -13.345  -6.314
  437    HB3  ALA  54           HB3      ALA  54   3.075 -14.841  -5.464
  438    H    GLN  55           H        GLN  55  -0.042 -13.541  -4.779
  439    HA   GLN  55           HA       GLN  55  -0.773 -16.150  -3.934
  440    HB2  GLN  55           HB2      GLN  55  -2.070 -13.465  -3.360
  441    HB3  GLN  55           HB3      GLN  55  -2.502 -14.976  -2.565
  442    HG2  GLN  55           HG2      GLN  55  -0.362 -15.182  -1.549
  443    HG3  GLN  55           HG3      GLN  55   0.345 -13.956  -2.603
  444   HE21  GLN  55          HE21      GLN  55  -1.261 -11.813  -2.468
  445   HE22  GLN  55          HE22      GLN  55  -1.499 -11.285  -0.876
  446    H    ALA  56           H        ALA  56  -2.166 -13.995  -6.319
  447    HA   ALA  56           HA       ALA  56  -4.769 -15.000  -6.458
  448    HB1  ALA  56           HB1      ALA  56  -4.584 -14.293  -8.940
  449    HB2  ALA  56           HB2      ALA  56  -2.960 -13.748  -8.514
  450    HB3  ALA  56           HB3      ALA  56  -4.364 -13.053  -7.704
  451    HA   PRO  57           HA       PRO  57  -4.297 -19.110  -8.047
  452    HB2  PRO  57           HB2      PRO  57  -6.699 -19.395  -9.366
  453    HB3  PRO  57           HB3      PRO  57  -6.520 -19.483  -7.604
  454    HG2  PRO  57           HG2      PRO  57  -7.467 -17.229  -9.298
  455    HG3  PRO  57           HG3      PRO  57  -8.039 -17.769  -7.710
  456    HD2  PRO  57           HD2      PRO  57  -6.406 -15.606  -8.051
  457    HD3  PRO  57           HD3      PRO  57  -6.409 -16.595  -6.575
  458    H    LYS  58           H        LYS  58  -4.091 -20.334 -10.012
  459    HA   LYS  58           HA       LYS  58  -3.399 -20.722 -12.151
  460    HB2  LYS  58           HB2      LYS  58  -4.990 -18.211 -12.764
  461    HB3  LYS  58           HB3      LYS  58  -4.338 -19.313 -13.971
  462    HG2  LYS  58           HG2      LYS  58  -5.651 -21.174 -12.902
  463    HG3  LYS  58           HG3      LYS  58  -6.396 -19.981 -11.839
  464    HD2  LYS  58           HD2      LYS  58  -6.496 -19.804 -14.869
  465    HD3  LYS  58           HD3      LYS  58  -7.755 -20.569 -13.902
  466    HE2  LYS  58           HE2      LYS  58  -8.119 -18.450 -12.683
  467    HE3  LYS  58           HE3      LYS  58  -6.855 -17.675 -13.640
  468    HZ1  LYS  58           HZ1      LYS  58  -8.128 -18.082 -15.630
  469    HZ2  LYS  58           HZ2      LYS  58  -9.085 -17.240 -14.511
  470    HZ3  LYS  58           HZ3      LYS  58  -9.323 -18.905 -14.747
  Start of MODEL    5
    1    H    VAL   1           H        VAL   1   7.137  20.352  -1.737
    2    HA   VAL   1           HA       VAL   1   4.941  20.290  -0.739
    3    HB   VAL   1           HB       VAL   1   7.124  19.381   1.177
    4   HG11  VAL   1          HG11      VAL   1   5.507  17.678   1.857
    5   HG12  VAL   1          HG12      VAL   1   4.334  18.278   0.687
    6   HG13  VAL   1          HG13      VAL   1   4.791  19.273   2.070
    7   HG21  VAL   1          HG21      VAL   1   5.949  18.072  -1.303
    8   HG22  VAL   1          HG22      VAL   1   6.919  17.209  -0.110
    9   HG23  VAL   1          HG23      VAL   1   7.633  18.526  -1.036
   10    H    ASP   2           H        ASP   2   3.566  21.608   0.293
   11    HA   ASP   2           HA       ASP   2   4.475  23.726   2.007
   12    HB2  ASP   2           HB2      ASP   2   1.676  22.754   1.352
   13    HB3  ASP   2           HB3      ASP   2   2.045  24.225   2.249
   14    H    ASN   3           H        ASN   3   1.904  21.358   2.754
   15    HA   ASN   3           HA       ASN   3   2.679  21.410   5.573
   16    HB2  ASN   3           HB2      ASN   3   0.330  20.073   4.197
   17    HB3  ASN   3           HB3      ASN   3   0.576  20.181   5.938
   18   HD21  ASN   3          HD21      ASN   3   1.205  22.750   6.481
   19   HD22  ASN   3          HD22      ASN   3   0.051  23.833   5.863
   20    H    LYS   4           H        LYS   4   1.827  18.827   3.235
   21    HA   LYS   4           HA       LYS   4   4.142  17.247   3.815
   22    HB2  LYS   4           HB2      LYS   4   2.749  16.935   5.915
   23    HB3  LYS   4           HB3      LYS   4   1.523  16.176   4.908
   24    HG2  LYS   4           HG2      LYS   4   2.803  14.370   5.768
   25    HG3  LYS   4           HG3      LYS   4   3.388  14.575   4.121
   26    HD2  LYS   4           HD2      LYS   4   5.324  15.843   4.922
   27    HD3  LYS   4           HD3      LYS   4   4.711  15.789   6.574
   28    HE2  LYS   4           HE2      LYS   4   4.879  13.309   6.536
   29    HE3  LYS   4           HE3      LYS   4   5.547  13.394   4.904
   30    HZ1  LYS   4           HZ1      LYS   4   6.733  14.415   7.419
   31    HZ2  LYS   4           HZ2      LYS   4   7.288  14.906   5.893
   32    HZ3  LYS   4           HZ3      LYS   4   7.379  13.270   6.343
   33    H    PHE   5           H        PHE   5   4.372  15.551   2.348
   34    HA   PHE   5           HA       PHE   5   2.573  15.606   0.064
   35    HB2  PHE   5           HB2      PHE   5   4.263  14.152  -1.018
   36    HB3  PHE   5           HB3      PHE   5   4.962  15.634  -0.382
   37    HD1  PHE   5           HD1      PHE   5   6.187  15.567   1.854
   38    HD2  PHE   5           HD2      PHE   5   5.015  12.002  -0.250
   39    HE1  PHE   5           HE1      PHE   5   7.805  14.246   3.183
   40    HE2  PHE   5           HE2      PHE   5   6.629  10.685   1.087
   41    HZ   PHE   5           HZ       PHE   5   8.027  11.807   2.802
   42    H    ASN   6           H        ASN   6   1.079  14.688   2.039
   43    HA   ASN   6           HA       ASN   6   1.120  11.779   2.165
   44    HB2  ASN   6           HB2      ASN   6  -0.821  12.034   3.650
   45    HB3  ASN   6           HB3      ASN   6   0.516  13.059   4.162
   46   HD21  ASN   6          HD21      ASN   6   0.382  15.411   3.388
   47   HD22  ASN   6          HD22      ASN   6  -1.159  16.105   3.254
   48    H    LYS   7           H        LYS   7   0.092  13.888  -0.162
   49    HA   LYS   7           HA       LYS   7  -2.501  12.977  -0.845
   50    HB2  LYS   7           HB2      LYS   7  -0.312  14.002  -2.685
   51    HB3  LYS   7           HB3      LYS   7  -2.026  13.900  -3.081
   52    HG2  LYS   7           HG2      LYS   7  -0.880  15.571  -0.813
   53    HG3  LYS   7           HG3      LYS   7  -1.318  16.202  -2.398
   54    HD2  LYS   7           HD2      LYS   7  -3.664  15.302  -1.999
   55    HD3  LYS   7           HD3      LYS   7  -3.173  14.964  -0.339
   56    HE2  LYS   7           HE2      LYS   7  -4.259  17.128  -0.369
   57    HE3  LYS   7           HE3      LYS   7  -2.535  17.390  -0.103
   58    HZ1  LYS   7           HZ1      LYS   7  -2.417  18.571  -1.959
   59    HZ2  LYS   7           HZ2      LYS   7  -4.102  18.458  -2.117
   60    HZ3  LYS   7           HZ3      LYS   7  -3.101  17.314  -2.875
   61    H    GLU   8           H        GLU   8   0.720  11.967  -1.963
   62    HA   GLU   8           HA       GLU   8  -0.147   9.899  -3.693
   63    HB2  GLU   8           HB2      GLU   8   2.478  10.338  -2.238
   64    HB3  GLU   8           HB3      GLU   8   2.220   9.053  -3.414
   65    HG2  GLU   8           HG2      GLU   8   3.187  10.837  -4.659
   66    HG3  GLU   8           HG3      GLU   8   1.475  10.870  -5.055
   67    H    MET   9           H        MET   9   0.587  10.006  -0.244
   68    HA   MET   9           HA       MET   9   0.619   7.230   0.287
   69    HB2  MET   9           HB2      MET   9  -0.275   9.503   2.091
   70    HB3  MET   9           HB3      MET   9   0.126   7.872   2.621
   71    HG2  MET   9           HG2      MET   9   2.428   8.166   1.753
   72    HG3  MET   9           HG3      MET   9   2.024   9.809   1.259
   73    HE1  MET   9           HE1      MET   9   3.606  11.291   2.700
   74    HE2  MET   9           HE2      MET   9   4.359   9.685   2.668
   75    HE3  MET   9           HE3      MET   9   4.291  10.602   4.173
   76    H    ARG  10           H        ARG  10  -1.988   9.617   0.176
   77    HA   ARG  10           HA       ARG  10  -4.088   7.976   1.108
   78    HB2  ARG  10           HB2      ARG  10  -4.168  10.477   0.869
   79    HB3  ARG  10           HB3      ARG  10  -4.299  10.258  -0.876
   80    HG2  ARG  10           HG2      ARG  10  -6.380   8.998  -0.606
   81    HG3  ARG  10           HG3      ARG  10  -6.234   9.082   1.150
   82    HD2  ARG  10           HD2      ARG  10  -7.791  10.801   0.442
   83    HD3  ARG  10           HD3      ARG  10  -6.311  11.585   0.982
   84    HE   ARG  10           HE       ARG  10  -5.964  12.328  -1.190
   85   HH11  ARG  10          HH11      ARG  10  -8.334   9.783  -1.180
   86   HH12  ARG  10          HH12      ARG  10  -8.751   9.994  -2.846
   87   HH21  ARG  10          HH21      ARG  10  -6.521  12.587  -3.358
   88   HH22  ARG  10          HH22      ARG  10  -7.728  11.574  -4.073
   89    H    ASN  11           H        ASN  11  -2.828   8.604  -2.160
   90    HA   ASN  11           HA       ASN  11  -4.760   7.160  -3.615
   91    HB2  ASN  11           HB2      ASN  11  -1.830   7.623  -4.238
   92    HB3  ASN  11           HB3      ASN  11  -3.012   7.005  -5.386
   93   HD21  ASN  11          HD21      ASN  11  -1.517   9.550  -5.618
   94   HD22  ASN  11          HD22      ASN  11  -2.681  10.785  -5.646
   95    H    ALA  12           H        ALA  12  -1.570   6.073  -2.388
   96    HA   ALA  12           HA       ALA  12  -1.939   3.368  -3.233
   97    HB1  ALA  12           HB1      ALA  12   0.039   2.871  -1.849
   98    HB2  ALA  12           HB2      ALA  12  -0.047   4.488  -1.146
   99    HB3  ALA  12           HB3      ALA  12   0.306   4.289  -2.863
  100    H    TYR  13           H        TYR  13  -2.794   5.145  -0.331
  101    HA   TYR  13           HA       TYR  13  -3.153   3.059   1.495
  102    HB2  TYR  13           HB2      TYR  13  -3.267   5.408   2.152
  103    HB3  TYR  13           HB3      TYR  13  -4.723   5.636   1.195
  104    HD1  TYR  13           HD1      TYR  13  -6.872   4.619   1.890
  105    HD2  TYR  13           HD2      TYR  13  -3.336   4.270   4.312
  106    HE1  TYR  13           HE1      TYR  13  -8.262   3.922   3.820
  107    HE2  TYR  13           HE2      TYR  13  -4.734   3.573   6.240
  108    HH   TYR  13           HH       TYR  13  -7.642   4.107   6.690
  109    H    TRP  14           H        TRP  14  -5.652   4.529  -0.639
  110    HA   TRP  14           HA       TRP  14  -7.556   2.491   0.061
  111    HB2  TRP  14           HB2      TRP  14  -9.124   3.690  -1.126
  112    HB3  TRP  14           HB3      TRP  14  -7.984   4.948  -0.675
  113    HD1  TRP  14           HD1      TRP  14  -6.449   5.969  -2.615
  114    HE1  TRP  14           HE1      TRP  14  -6.713   5.989  -5.178
  115    HE3  TRP  14           HE3      TRP  14  -9.973   2.315  -3.165
  116    HZ2  TRP  14           HZ2      TRP  14  -8.219   4.636  -7.195
  117    HZ3  TRP  14           HZ3      TRP  14 -10.806   1.703  -5.417
  118    HH2  TRP  14           HH2      TRP  14  -9.935   2.857  -7.432
  119    H    GLU  15           H        GLU  15  -5.370   2.964  -2.697
  120    HA   GLU  15           HA       GLU  15  -6.488   0.975  -4.380
  121    HB2  GLU  15           HB2      GLU  15  -3.696   2.114  -4.162
  122    HB3  GLU  15           HB3      GLU  15  -4.133   0.907  -5.372
  123    HG2  GLU  15           HG2      GLU  15  -5.917   2.396  -6.219
  124    HG3  GLU  15           HG3      GLU  15  -5.480   3.606  -5.019
  125    H    ILE  16           H        ILE  16  -3.846   0.782  -1.982
  126    HA   ILE  16           HA       ILE  16  -3.305  -1.981  -2.358
  127    HB   ILE  16           HB       ILE  16  -2.836  -0.177   0.038
  128   HG12  ILE  16          HG12      ILE  16  -0.870  -1.232  -2.022
  129   HG13  ILE  16          HG13      ILE  16  -1.658   0.333  -2.169
  130   HG21  ILE  16          HG21      ILE  16  -2.044  -3.047  -0.497
  131   HG22  ILE  16          HG22      ILE  16  -2.768  -2.362   0.956
  132   HG23  ILE  16          HG23      ILE  16  -1.084  -2.021   0.568
  133   HD11  ILE  16          HD11      ILE  16   0.489   0.698  -1.128
  134   HD12  ILE  16          HD12      ILE  16   0.195  -0.578   0.050
  135   HD13  ILE  16          HD13      ILE  16  -0.740   0.917   0.115
  136    H    ALA  17           H        ALA  17  -5.279  -0.275   0.079
  137    HA   ALA  17           HA       ALA  17  -6.172  -2.499   1.512
  138    HB1  ALA  17           HB1      ALA  17  -7.626   0.105   0.978
  139    HB2  ALA  17           HB2      ALA  17  -6.483  -0.196   2.287
  140    HB3  ALA  17           HB3      ALA  17  -8.026  -1.049   2.252
  141    H    LEU  18           H        LEU  18  -7.285  -1.195  -1.554
  142    HA   LEU  18           HA       LEU  18  -9.811  -2.403  -1.724
  143    HB2  LEU  18           HB2      LEU  18  -8.953  -0.639  -3.268
  144    HB3  LEU  18           HB3      LEU  18  -7.902  -1.842  -4.009
  145    HG   LEU  18           HG       LEU  18  -9.995  -3.216  -4.501
  146   HD11  LEU  18          HD11      LEU  18 -12.109  -1.758  -4.589
  147   HD12  LEU  18          HD12      LEU  18 -11.268  -0.657  -3.499
  148   HD13  LEU  18          HD13      LEU  18 -11.607  -2.313  -2.994
  149   HD21  LEU  18          HD21      LEU  18  -9.724  -0.449  -5.722
  150   HD22  LEU  18          HD22      LEU  18 -10.662  -1.765  -6.427
  151   HD23  LEU  18          HD23      LEU  18  -8.914  -1.918  -6.262
  152    H    LEU  19           H        LEU  19  -6.588  -3.720  -2.482
  153    HA   LEU  19           HA       LEU  19  -7.471  -6.046  -3.834
  154    HB2  LEU  19           HB2      LEU  19  -4.953  -5.160  -2.520
  155    HB3  LEU  19           HB3      LEU  19  -5.145  -6.887  -2.770
  156    HG   LEU  19           HG       LEU  19  -5.220  -6.675  -5.113
  157   HD11  LEU  19          HD11      LEU  19  -5.375  -4.370  -6.223
  158   HD12  LEU  19          HD12      LEU  19  -5.906  -3.765  -4.653
  159   HD13  LEU  19          HD13      LEU  19  -6.857  -4.989  -5.496
  160   HD21  LEU  19          HD21      LEU  19  -3.407  -4.367  -4.374
  161   HD22  LEU  19          HD22      LEU  19  -3.216  -5.513  -5.699
  162   HD23  LEU  19          HD23      LEU  19  -2.989  -6.046  -4.035
  163    HA   PRO  20           HA       PRO  20  -9.118  -8.082  -0.154
  164    HB2  PRO  20           HB2      PRO  20 -10.629  -9.905  -1.391
  165    HB3  PRO  20           HB3      PRO  20 -11.017  -8.176  -1.492
  166    HG2  PRO  20           HG2      PRO  20  -9.674  -9.926  -3.502
  167    HG3  PRO  20           HG3      PRO  20 -10.896  -8.667  -3.742
  168    HD2  PRO  20           HD2      PRO  20  -8.145  -8.325  -4.092
  169    HD3  PRO  20           HD3      PRO  20  -9.323  -7.014  -3.862
  170    H    ASN  21           H        ASN  21  -7.189  -9.745  -2.609
  171    HA   ASN  21           HA       ASN  21  -7.137 -12.246  -1.145
  172    HB2  ASN  21           HB2      ASN  21  -5.242 -12.693  -2.943
  173    HB3  ASN  21           HB3      ASN  21  -6.948 -12.739  -3.369
  174   HD21  ASN  21          HD21      ASN  21  -6.902 -11.940  -5.496
  175   HD22  ASN  21          HD22      ASN  21  -6.269 -10.421  -5.910
  176    H    LEU  22           H        LEU  22  -5.514  -9.344  -0.693
  177    HA   LEU  22           HA       LEU  22  -2.926 -10.396  -0.006
  178    HB2  LEU  22           HB2      LEU  22  -4.190  -7.821   0.954
  179    HB3  LEU  22           HB3      LEU  22  -2.485  -8.260   1.071
  180    HG   LEU  22           HG       LEU  22  -3.843  -8.172  -1.612
  181   HD11  LEU  22          HD11      LEU  22  -3.000  -5.810  -1.786
  182   HD12  LEU  22          HD12      LEU  22  -2.618  -5.856  -0.066
  183   HD13  LEU  22          HD13      LEU  22  -4.293  -5.986  -0.599
  184   HD21  LEU  22          HD21      LEU  22  -1.516  -9.157  -1.204
  185   HD22  LEU  22          HD22      LEU  22  -0.997  -7.521  -0.796
  186   HD23  LEU  22          HD23      LEU  22  -1.609  -7.882  -2.411
  187    H    ASN  23           H        ASN  23  -2.271 -11.321   1.817
  188    HA   ASN  23           HA       ASN  23  -4.020 -12.308   3.771
  189    HB2  ASN  23           HB2      ASN  23  -1.667 -13.101   3.422
  190    HB3  ASN  23           HB3      ASN  23  -1.099 -11.636   4.216
  191   HD21  ASN  23          HD21      ASN  23  -3.003 -14.613   4.780
  192   HD22  ASN  23          HD22      ASN  23  -2.822 -14.593   6.469
  193    H    ASN  24           H        ASN  24  -4.590 -11.640   5.861
  194    HA   ASN  24           HA       ASN  24  -5.263  -8.991   6.291
  195    HB2  ASN  24           HB2      ASN  24  -6.161 -10.971   7.528
  196    HB3  ASN  24           HB3      ASN  24  -4.670 -11.015   8.463
  197   HD21  ASN  24          HD21      ASN  24  -7.404  -8.813   7.657
  198   HD22  ASN  24          HD22      ASN  24  -7.336  -7.959   9.124
  199    H    GLN  25           H        GLN  25  -2.344 -10.687   7.397
  200    HA   GLN  25           HA       GLN  25  -1.308  -8.536   8.956
  201    HB2  GLN  25           HB2      GLN  25   0.076 -10.907   7.667
  202    HB3  GLN  25           HB3      GLN  25   0.837  -9.811   8.823
  203    HG2  GLN  25           HG2      GLN  25  -0.851 -10.392  10.515
  204    HG3  GLN  25           HG3      GLN  25  -1.660 -11.456   9.367
  205   HE21  GLN  25          HE21      GLN  25  -0.436 -12.245  11.957
  206   HE22  GLN  25          HE22      GLN  25   0.771 -13.378  11.583
  207    H    GLN  26           H        GLN  26  -0.791  -9.576   5.602
  208    HA   GLN  26           HA       GLN  26   1.277  -7.770   4.957
  209    HB2  GLN  26           HB2      GLN  26  -0.784  -9.131   3.209
  210    HB3  GLN  26           HB3      GLN  26   0.591  -8.219   2.584
  211    HG2  GLN  26           HG2      GLN  26   2.156  -9.715   3.726
  212    HG3  GLN  26           HG3      GLN  26   0.823 -10.591   4.471
  213   HE21  GLN  26          HE21      GLN  26  -0.932 -10.979   2.342
  214   HE22  GLN  26          HE22      GLN  26  -0.178 -11.894   1.126
  215    H    LYS  27           H        LYS  27  -2.268  -7.427   4.716
  216    HA   LYS  27           HA       LYS  27  -2.333  -5.000   3.282
  217    HB2  LYS  27           HB2      LYS  27  -4.239  -6.126   5.349
  218    HB3  LYS  27           HB3      LYS  27  -4.573  -4.670   4.411
  219    HG2  LYS  27           HG2      LYS  27  -4.366  -5.962   2.317
  220    HG3  LYS  27           HG3      LYS  27  -4.015  -7.420   3.246
  221    HD2  LYS  27           HD2      LYS  27  -6.343  -7.551   2.761
  222    HD3  LYS  27           HD3      LYS  27  -6.247  -7.024   4.441
  223    HE2  LYS  27           HE2      LYS  27  -7.449  -5.186   3.925
  224    HE3  LYS  27           HE3      LYS  27  -6.187  -4.672   2.809
  225    HZ1  LYS  27           HZ1      LYS  27  -8.151  -4.861   1.551
  226    HZ2  LYS  27           HZ2      LYS  27  -8.547  -6.367   2.229
  227    HZ3  LYS  27           HZ3      LYS  27  -7.230  -6.238   1.160
  228    H    ARG  28           H        ARG  28  -2.636  -5.495   6.798
  229    HA   ARG  28           HA       ARG  28  -2.480  -2.768   7.521
  230    HB2  ARG  28           HB2      ARG  28  -1.789  -5.259   9.108
  231    HB3  ARG  28           HB3      ARG  28  -1.920  -3.639   9.797
  232    HG2  ARG  28           HG2      ARG  28  -4.278  -3.511   9.011
  233    HG3  ARG  28           HG3      ARG  28  -4.143  -5.149   8.372
  234    HD2  ARG  28           HD2      ARG  28  -5.192  -5.302  10.538
  235    HD3  ARG  28           HD3      ARG  28  -3.551  -5.927  10.698
  236    HE   ARG  28           HE       ARG  28  -3.512  -3.174  11.302
  237   HH11  ARG  28          HH11      ARG  28  -4.774  -6.159  12.561
  238   HH12  ARG  28          HH12      ARG  28  -4.741  -5.626  14.207
  239   HH21  ARG  28          HH21      ARG  28  -3.477  -2.495  13.454
  240   HH22  ARG  28          HH22      ARG  28  -4.010  -3.562  14.710
  241    H    ALA  29           H        ALA  29  -0.002  -5.208   6.960
  242    HA   ALA  29           HA       ALA  29   2.189  -3.876   8.126
  243    HB1  ALA  29           HB1      ALA  29   3.562  -5.330   6.594
  244    HB2  ALA  29           HB2      ALA  29   2.052  -5.889   5.874
  245    HB3  ALA  29           HB3      ALA  29   2.384  -6.201   7.577
  246    H    PHE  30           H        PHE  30   0.958  -3.774   4.742
  247    HA   PHE  30           HA       PHE  30   3.033  -2.162   3.721
  248    HB2  PHE  30           HB2      PHE  30   0.201  -2.670   2.858
  249    HB3  PHE  30           HB3      PHE  30   1.146  -1.424   2.052
  250    HD1  PHE  30           HD1      PHE  30   3.715  -2.238   1.609
  251    HD2  PHE  30           HD2      PHE  30   0.263  -4.785   1.813
  252    HE1  PHE  30           HE1      PHE  30   4.896  -3.934   0.252
  253    HE2  PHE  30           HE2      PHE  30   1.448  -6.486   0.455
  254    HZ   PHE  30           HZ       PHE  30   3.768  -6.056  -0.330
  255    H    ILE  31           H        ILE  31  -0.249  -1.088   4.674
  256    HA   ILE  31           HA       ILE  31   0.210   1.651   4.431
  257    HB   ILE  31           HB       ILE  31  -1.703   0.193   6.283
  258   HG12  ILE  31          HG12      ILE  31  -2.083   1.452   3.531
  259   HG13  ILE  31          HG13      ILE  31  -2.000  -0.278   3.849
  260   HG21  ILE  31          HG21      ILE  31  -1.620   3.111   5.420
  261   HG22  ILE  31          HG22      ILE  31  -1.371   2.504   7.056
  262   HG23  ILE  31          HG23      ILE  31  -2.950   2.356   6.298
  263   HD11  ILE  31          HD11      ILE  31  -4.181  -0.345   4.397
  264   HD12  ILE  31          HD12      ILE  31  -4.310   1.329   3.861
  265   HD13  ILE  31          HD13      ILE  31  -3.996   0.966   5.559
  266    H    ARG  32           H        ARG  32   0.648  -0.434   7.310
  267    HA   ARG  32           HA       ARG  32   1.361   1.626   9.112
  268    HB2  ARG  32           HB2      ARG  32   0.756  -0.693   9.787
  269    HB3  ARG  32           HB3      ARG  32   2.294  -1.260   9.140
  270    HG2  ARG  32           HG2      ARG  32   3.500   0.236  10.717
  271    HG3  ARG  32           HG3      ARG  32   1.954   0.777  11.372
  272    HD2  ARG  32           HD2      ARG  32   1.441  -1.595  11.987
  273    HD3  ARG  32           HD3      ARG  32   3.055  -2.051  11.442
  274    HE   ARG  32           HE       ARG  32   3.334   0.041  13.298
  275   HH11  ARG  32          HH11      ARG  32   2.249  -3.260  13.188
  276   HH12  ARG  32          HH12      ARG  32   2.676  -3.587  14.834
  277   HH21  ARG  32          HH21      ARG  32   3.883  -0.403  15.440
  278   HH22  ARG  32          HH22      ARG  32   3.596  -1.977  16.102
  279    H    SER  33           H        SER  33   3.408  -0.525   7.118
  280    HA   SER  33           HA       SER  33   5.888   0.605   7.905
  281    HB2  SER  33           HB2      SER  33   6.838  -0.552   5.989
  282    HB3  SER  33           HB3      SER  33   5.671  -1.606   6.780
  283    HG   SER  33           HG       SER  33   4.136  -0.717   5.182
  284    H    LEU  34           H        LEU  34   3.455   1.594   5.625
  285    HA   LEU  34           HA       LEU  34   4.976   3.278   3.951
  286    HB2  LEU  34           HB2      LEU  34   2.358   2.508   4.048
  287    HB3  LEU  34           HB3      LEU  34   2.220   4.155   4.635
  288    HG   LEU  34           HG       LEU  34   3.951   3.843   2.250
  289   HD11  LEU  34          HD11      LEU  34   2.224   3.403   0.677
  290   HD12  LEU  34          HD12      LEU  34   0.956   3.611   1.885
  291   HD13  LEU  34          HD13      LEU  34   1.996   2.186   1.937
  292   HD21  LEU  34          HD21      LEU  34   2.487   5.831   1.564
  293   HD22  LEU  34          HD22      LEU  34   3.459   6.066   3.017
  294   HD23  LEU  34          HD23      LEU  34   1.735   5.710   3.152
  295    H    TYR  35           H        TYR  35   3.189   3.931   6.956
  296    HA   TYR  35           HA       TYR  35   3.822   6.689   7.130
  297    HB2  TYR  35           HB2      TYR  35   1.996   5.564   8.418
  298    HB3  TYR  35           HB3      TYR  35   3.222   4.765   9.400
  299    HD1  TYR  35           HD1      TYR  35   1.747   8.051   8.486
  300    HD2  TYR  35           HD2      TYR  35   4.452   5.974  11.107
  301    HE1  TYR  35           HE1      TYR  35   1.898  10.061   9.929
  302    HE2  TYR  35           HE2      TYR  35   4.598   7.987  12.545
  303    HH   TYR  35           HH       TYR  35   4.119  10.769  11.867
  304    H    ASP  36           H        ASP  36   5.359   3.763   8.430
  305    HA   ASP  36           HA       ASP  36   7.387   5.056   9.930
  306    HB2  ASP  36           HB2      ASP  36   6.712   2.659  10.174
  307    HB3  ASP  36           HB3      ASP  36   7.516   2.317   8.643
  308    H    ASP  37           H        ASP  37   7.226   4.022   6.551
  309    HA   ASP  37           HA       ASP  37   9.708   5.528   5.984
  310    HB2  ASP  37           HB2      ASP  37   9.086   2.716   5.034
  311    HB3  ASP  37           HB3      ASP  37  10.411   3.697   4.432
  312    HA   PRO  38           HA       PRO  38   6.170   6.683   3.158
  313    HB2  PRO  38           HB2      PRO  38   6.982   9.331   2.954
  314    HB3  PRO  38           HB3      PRO  38   5.829   8.714   4.151
  315    HG2  PRO  38           HG2      PRO  38   8.724   9.315   4.452
  316    HG3  PRO  38           HG3      PRO  38   7.390   9.574   5.589
  317    HD2  PRO  38           HD2      PRO  38   9.129   7.510   5.857
  318    HD3  PRO  38           HD3      PRO  38   7.426   7.371   6.342
  319    H    SER  39           H        SER  39   9.610   6.932   3.028
  320    HA   SER  39           HA       SER  39  10.009   7.917   0.428
  321    HB2  SER  39           HB2      SER  39  11.717   5.947   1.965
  322    HB3  SER  39           HB3      SER  39  12.235   6.919   0.589
  323    HG   SER  39           HG       SER  39  11.585   8.771   1.914
  324    H    GLN  40           H        GLN  40   9.117   4.678   1.545
  325    HA   GLN  40           HA       GLN  40   9.562   3.563  -1.149
  326    HB2  GLN  40           HB2      GLN  40   8.646   2.065   1.310
  327    HB3  GLN  40           HB3      GLN  40   9.361   1.403  -0.155
  328    HG2  GLN  40           HG2      GLN  40  10.763   3.182   1.860
  329    HG3  GLN  40           HG3      GLN  40  11.010   1.453   1.669
  330   HE21  GLN  40          HE21      GLN  40  12.522   4.272   0.957
  331   HE22  GLN  40          HE22      GLN  40  13.291   3.842  -0.494
  332    H    SER  41           H        SER  41   7.054   5.191   0.238
  333    HA   SER  41           HA       SER  41   4.766   3.706   0.142
  334    HB2  SER  41           HB2      SER  41   4.986   6.464  -1.077
  335    HB3  SER  41           HB3      SER  41   3.536   5.706  -0.421
  336    HG   SER  41           HG       SER  41   5.724   6.834   0.865
  337    H    ALA  42           H        ALA  42   6.484   4.979  -2.692
  338    HA   ALA  42           HA       ALA  42   4.554   4.151  -4.621
  339    HB1  ALA  42           HB1      ALA  42   6.269   5.842  -5.126
  340    HB2  ALA  42           HB2      ALA  42   6.373   4.491  -6.254
  341    HB3  ALA  42           HB3      ALA  42   7.534   4.627  -4.933
  342    H    ASN  43           H        ASN  43   7.572   2.687  -3.415
  343    HA   ASN  43           HA       ASN  43   7.485   0.360  -5.026
  344    HB2  ASN  43           HB2      ASN  43   8.760   0.797  -2.311
  345    HB3  ASN  43           HB3      ASN  43   9.052  -0.596  -3.346
  346   HD21  ASN  43          HD21      ASN  43  11.221   0.994  -2.634
  347   HD22  ASN  43          HD22      ASN  43  11.757   1.882  -3.982
  348    H    LEU  44           H        LEU  44   6.278   1.021  -1.736
  349    HA   LEU  44           HA       LEU  44   5.438  -1.568  -1.070
  350    HB2  LEU  44           HB2      LEU  44   4.221   1.066  -0.288
  351    HB3  LEU  44           HB3      LEU  44   3.883  -0.453   0.502
  352    HG   LEU  44           HG       LEU  44   6.578   0.965   0.393
  353   HD11  LEU  44          HD11      LEU  44   5.024   1.963   1.981
  354   HD12  LEU  44          HD12      LEU  44   6.279   1.087   2.853
  355   HD13  LEU  44          HD13      LEU  44   4.672   0.381   2.674
  356   HD21  LEU  44          HD21      LEU  44   7.102  -1.362   0.352
  357   HD22  LEU  44          HD22      LEU  44   5.802  -1.752   1.479
  358   HD23  LEU  44          HD23      LEU  44   7.227  -0.882   2.043
  359    H    LEU  45           H        LEU  45   3.735   1.009  -2.842
  360    HA   LEU  45           HA       LEU  45   1.213  -0.275  -3.062
  361    HB2  LEU  45           HB2      LEU  45   1.345   2.051  -3.592
  362    HB3  LEU  45           HB3      LEU  45   2.634   1.785  -4.754
  363    HG   LEU  45           HG       LEU  45   1.049   0.552  -6.227
  364   HD11  LEU  45          HD11      LEU  45  -0.997   1.314  -4.116
  365   HD12  LEU  45          HD12      LEU  45  -0.491  -0.323  -4.535
  366   HD13  LEU  45          HD13      LEU  45  -1.386   0.647  -5.702
  367   HD21  LEU  45          HD21      LEU  45   1.342   2.994  -6.507
  368   HD22  LEU  45          HD22      LEU  45   0.022   3.279  -5.372
  369   HD23  LEU  45          HD23      LEU  45  -0.298   2.493  -6.918
  370    H    ALA  46           H        ALA  46   4.071  -0.262  -5.151
  371    HA   ALA  46           HA       ALA  46   3.044  -1.994  -7.171
  372    HB1  ALA  46           HB1      ALA  46   5.075  -0.564  -7.440
  373    HB2  ALA  46           HB2      ALA  46   5.364  -2.250  -7.871
  374    HB3  ALA  46           HB3      ALA  46   5.934  -1.625  -6.324
  375    H    GLU  47           H        GLU  47   4.928  -2.536  -4.236
  376    HA   GLU  47           HA       GLU  47   5.330  -5.314  -4.462
  377    HB2  GLU  47           HB2      GLU  47   5.226  -3.399  -2.122
  378    HB3  GLU  47           HB3      GLU  47   5.504  -5.133  -1.893
  379    HG2  GLU  47           HG2      GLU  47   7.175  -3.378  -3.725
  380    HG3  GLU  47           HG3      GLU  47   7.624  -3.774  -2.070
  381    H    ALA  48           H        ALA  48   2.659  -3.422  -3.106
  382    HA   ALA  48           HA       ALA  48   1.262  -5.562  -1.886
  383    HB1  ALA  48           HB1      ALA  48   0.746  -3.204  -1.411
  384    HB2  ALA  48           HB2      ALA  48  -0.692  -4.055  -1.975
  385    HB3  ALA  48           HB3      ALA  48   0.185  -2.985  -3.068
  386    H    LYS  49           H        LYS  49   1.077  -4.110  -5.111
  387    HA   LYS  49           HA       LYS  49  -1.033  -5.706  -6.105
  388    HB2  LYS  49           HB2      LYS  49   0.265  -3.561  -7.073
  389    HB3  LYS  49           HB3      LYS  49   1.119  -4.815  -7.971
  390    HG2  LYS  49           HG2      LYS  49  -1.218  -5.738  -8.571
  391    HG3  LYS  49           HG3      LYS  49  -1.842  -4.204  -7.974
  392    HD2  LYS  49           HD2      LYS  49   0.118  -3.271  -9.596
  393    HD3  LYS  49           HD3      LYS  49  -0.260  -4.778 -10.430
  394    HE2  LYS  49           HE2      LYS  49  -2.699  -4.097 -10.369
  395    HE3  LYS  49           HE3      LYS  49  -2.178  -2.525  -9.749
  396    HZ1  LYS  49           HZ1      LYS  49  -1.394  -3.756 -12.341
  397    HZ2  LYS  49           HZ2      LYS  49  -0.770  -2.299 -11.736
  398    HZ3  LYS  49           HZ3      LYS  49  -2.420  -2.418 -12.124
  399    H    LYS  50           H        LYS  50   2.455  -6.172  -5.899
  400    HA   LYS  50           HA       LYS  50   2.751  -8.403  -7.580
  401    HB2  LYS  50           HB2      LYS  50   4.581  -6.994  -6.557
  402    HB3  LYS  50           HB3      LYS  50   4.302  -7.845  -5.040
  403    HG2  LYS  50           HG2      LYS  50   4.882  -9.976  -6.049
  404    HG3  LYS  50           HG3      LYS  50   4.969  -9.241  -7.651
  405    HD2  LYS  50           HD2      LYS  50   7.231  -9.385  -6.944
  406    HD3  LYS  50           HD3      LYS  50   6.783  -7.702  -6.670
  407    HE2  LYS  50           HE2      LYS  50   6.300  -8.255  -4.281
  408    HE3  LYS  50           HE3      LYS  50   6.858  -9.902  -4.577
  409    HZ1  LYS  50           HZ1      LYS  50   8.917  -8.566  -5.529
  410    HZ2  LYS  50           HZ2      LYS  50   8.797  -8.993  -3.892
  411    HZ3  LYS  50           HZ3      LYS  50   8.383  -7.421  -4.392
  412    H    LEU  51           H        LEU  51   2.098  -8.207  -4.076
  413    HA   LEU  51           HA       LEU  51   2.004 -11.001  -3.607
  414    HB2  LEU  51           HB2      LEU  51   1.056  -8.566  -2.141
  415    HB3  LEU  51           HB3      LEU  51   0.475 -10.139  -1.596
  416    HG   LEU  51           HG       LEU  51   3.422  -9.550  -2.052
  417   HD11  LEU  51          HD11      LEU  51   1.706  -9.104   0.390
  418   HD12  LEU  51          HD12      LEU  51   2.881  -8.020  -0.348
  419   HD13  LEU  51          HD13      LEU  51   3.431  -9.440   0.536
  420   HD21  LEU  51          HD21      LEU  51   1.835 -11.757  -0.719
  421   HD22  LEU  51          HD22      LEU  51   3.532 -11.483  -0.319
  422   HD23  LEU  51          HD23      LEU  51   3.071 -11.895  -1.969
  423    H    ASN  52           H        ASN  52  -0.441  -8.640  -4.540
  424    HA   ASN  52           HA       ASN  52  -2.715 -10.317  -4.346
  425    HB2  ASN  52           HB2      ASN  52  -3.308  -8.103  -4.554
  426    HB3  ASN  52           HB3      ASN  52  -2.031  -7.747  -5.708
  427   HD21  ASN  52          HD21      ASN  52  -5.351  -8.910  -5.384
  428   HD22  ASN  52          HD22      ASN  52  -5.703  -8.900  -7.048
  429    H    ASP  53           H        ASP  53  -0.585  -9.520  -7.090
  430    HA   ASP  53           HA       ASP  53  -1.868 -11.132  -9.021
  431    HB2  ASP  53           HB2      ASP  53  -0.203  -9.351  -9.507
  432    HB3  ASP  53           HB3      ASP  53   1.066 -10.385  -8.885
  433    H    ALA  54           H        ALA  54   0.703 -11.832  -6.693
  434    HA   ALA  54           HA       ALA  54   1.285 -14.420  -7.735
  435    HB1  ALA  54           HB1      ALA  54   1.914 -13.160  -5.056
  436    HB2  ALA  54           HB2      ALA  54   2.964 -13.220  -6.470
  437    HB3  ALA  54           HB3      ALA  54   2.563 -14.705  -5.608
  438    H    GLN  55           H        GLN  55  -0.491 -13.348  -4.817
  439    HA   GLN  55           HA       GLN  55  -1.262 -15.947  -3.979
  440    HB2  GLN  55           HB2      GLN  55  -2.457 -13.232  -3.332
  441    HB3  GLN  55           HB3      GLN  55  -2.917 -14.739  -2.542
  442    HG2  GLN  55           HG2      GLN  55  -0.776 -15.023  -1.572
  443    HG3  GLN  55           HG3      GLN  55  -0.029 -13.854  -2.659
  444   HE21  GLN  55          HE21      GLN  55  -1.502 -11.613  -2.501
  445   HE22  GLN  55          HE22      GLN  55  -1.655 -11.059  -0.907
  446    H    ALA  56           H        ALA  56  -2.638 -13.738  -6.313
  447    HA   ALA  56           HA       ALA  56  -5.287 -14.580  -6.424
  448    HB1  ALA  56           HB1      ALA  56  -4.723 -12.701  -7.734
  449    HB2  ALA  56           HB2      ALA  56  -5.087 -13.954  -8.919
  450    HB3  ALA  56           HB3      ALA  56  -3.410 -13.551  -8.547
  451    HA   PRO  57           HA       PRO  57  -5.155 -18.750  -7.925
  452    HB2  PRO  57           HB2      PRO  57  -7.557 -18.879  -9.264
  453    HB3  PRO  57           HB3      PRO  57  -7.407 -18.922  -7.497
  454    HG2  PRO  57           HG2      PRO  57  -8.150 -16.660  -9.279
  455    HG3  PRO  57           HG3      PRO  57  -8.778 -17.095  -7.682
  456    HD2  PRO  57           HD2      PRO  57  -6.964 -15.085  -8.081
  457    HD3  PRO  57           HD3      PRO  57  -7.075 -16.008  -6.567
  458    H    LYS  58           H        LYS  58  -4.972 -20.034  -9.838
  459    HA   LYS  58           HA       LYS  58  -4.297 -20.533 -11.967
  460    HB2  LYS  58           HB2      LYS  58  -5.659 -17.920 -12.689
  461    HB3  LYS  58           HB3      LYS  58  -5.126 -19.145 -13.834
  462    HG2  LYS  58           HG2      LYS  58  -6.611 -20.806 -12.657
  463    HG3  LYS  58           HG3      LYS  58  -7.240 -19.479 -11.681
  464    HD2  LYS  58           HD2      LYS  58  -7.312 -19.503 -14.716
  465    HD3  LYS  58           HD3      LYS  58  -8.647 -20.056 -13.709
  466    HE2  LYS  58           HE2      LYS  58  -8.791 -17.830 -12.653
  467    HE3  LYS  58           HE3      LYS  58  -7.443 -17.264 -13.641
  468    HZ1  LYS  58           HZ1      LYS  58 -10.034 -18.279 -14.683
  469    HZ2  LYS  58           HZ2      LYS  58  -8.743 -17.702 -15.620
  470    HZ3  LYS  58           HZ3      LYS  58  -9.583 -16.643 -14.590
  Start of MODEL    6
    1    H    VAL   1           H        VAL   1   6.679  19.798  -3.248
    2    HA   VAL   1           HA       VAL   1   4.996  19.508  -1.586
    3    HB   VAL   1           HB       VAL   1   7.800  19.164  -0.442
    4   HG11  VAL   1          HG11      VAL   1   6.071  18.844   1.273
    5   HG12  VAL   1          HG12      VAL   1   6.761  17.285   0.829
    6   HG13  VAL   1          HG13      VAL   1   5.181  17.758   0.204
    7   HG21  VAL   1          HG21      VAL   1   7.665  18.095  -2.618
    8   HG22  VAL   1          HG22      VAL   1   6.096  17.389  -2.227
    9   HG23  VAL   1          HG23      VAL   1   7.547  16.833  -1.392
   10    H    ASP   2           H        ASP   2   3.897  21.358  -0.921
   11    HA   ASP   2           HA       ASP   2   5.016  23.441   0.643
   12    HB2  ASP   2           HB2      ASP   2   2.498  23.824   1.249
   13    HB3  ASP   2           HB3      ASP   2   3.034  24.073  -0.407
   14    H    ASN   3           H        ASN   3   2.490  21.185   1.807
   15    HA   ASN   3           HA       ASN   3   3.598  21.355   4.515
   16    HB2  ASN   3           HB2      ASN   3   1.076  20.073   3.422
   17    HB3  ASN   3           HB3      ASN   3   1.549  20.034   5.119
   18   HD21  ASN   3          HD21      ASN   3   1.012  22.423   2.469
   19   HD22  ASN   3          HD22      ASN   3   0.383  23.627   3.492
   20    H    LYS   4           H        LYS   4   2.478  18.727   2.361
   21    HA   LYS   4           HA       LYS   4   4.830  17.191   2.493
   22    HB2  LYS   4           HB2      LYS   4   3.985  16.982   4.915
   23    HB3  LYS   4           HB3      LYS   4   2.676  16.011   4.250
   24    HG2  LYS   4           HG2      LYS   4   4.276  14.433   3.292
   25    HG3  LYS   4           HG3      LYS   4   5.625  15.443   3.808
   26    HD2  LYS   4           HD2      LYS   4   4.726  15.134   6.202
   27    HD3  LYS   4           HD3      LYS   4   3.717  13.852   5.535
   28    HE2  LYS   4           HE2      LYS   4   5.547  12.562   6.048
   29    HE3  LYS   4           HE3      LYS   4   6.092  13.127   4.467
   30    HZ1  LYS   4           HZ1      LYS   4   6.823  14.180   7.137
   31    HZ2  LYS   4           HZ2      LYS   4   7.096  15.063   5.714
   32    HZ3  LYS   4           HZ3      LYS   4   7.850  13.556   5.935
   33    H    PHE   5           H        PHE   5   4.639  15.187   1.323
   34    HA   PHE   5           HA       PHE   5   2.547  15.256  -0.660
   35    HB2  PHE   5           HB2      PHE   5   3.794  13.251  -1.616
   36    HB3  PHE   5           HB3      PHE   5   4.684  14.766  -1.535
   37    HD1  PHE   5           HD1      PHE   5   6.374  15.138   0.280
   38    HD2  PHE   5           HD2      PHE   5   4.485  11.321  -0.325
   39    HE1  PHE   5           HE1      PHE   5   8.140  14.048   1.633
   40    HE2  PHE   5           HE2      PHE   5   6.257  10.236   1.027
   41    HZ   PHE   5           HZ       PHE   5   8.083  11.598   2.006
   42    H    ASN   6           H        ASN   6   1.117  14.908   1.443
   43    HA   ASN   6           HA       ASN   6   0.673  12.209   2.288
   44    HB2  ASN   6           HB2      ASN   6  -1.242  14.554   2.422
   45    HB3  ASN   6           HB3      ASN   6  -1.303  13.084   3.390
   46   HD21  ASN   6          HD21      ASN   6   1.679  13.039   3.793
   47   HD22  ASN   6          HD22      ASN   6   2.003  14.292   4.893
   48    H    LYS   7           H        LYS   7  -0.588  14.207  -0.316
   49    HA   LYS   7           HA       LYS   7  -2.934  12.870  -0.981
   50    HB2  LYS   7           HB2      LYS   7  -2.117  15.012  -1.987
   51    HB3  LYS   7           HB3      LYS   7  -0.954  14.086  -2.930
   52    HG2  LYS   7           HG2      LYS   7  -2.795  14.400  -4.394
   53    HG3  LYS   7           HG3      LYS   7  -2.980  12.749  -3.813
   54    HD2  LYS   7           HD2      LYS   7  -4.644  13.466  -2.169
   55    HD3  LYS   7           HD3      LYS   7  -4.394  15.156  -2.610
   56    HE2  LYS   7           HE2      LYS   7  -5.365  13.029  -4.546
   57    HE3  LYS   7           HE3      LYS   7  -6.432  14.122  -3.666
   58    HZ1  LYS   7           HZ1      LYS   7  -6.055  15.132  -5.730
   59    HZ2  LYS   7           HZ2      LYS   7  -4.392  14.806  -5.698
   60    HZ3  LYS   7           HZ3      LYS   7  -5.048  15.971  -4.650
   61    H    GLU   8           H        GLU   8   0.389  12.148  -2.045
   62    HA   GLU   8           HA       GLU   8  -0.240  10.032  -3.809
   63    HB2  GLU   8           HB2      GLU   8   2.260  10.550  -2.168
   64    HB3  GLU   8           HB3      GLU   8   2.143   9.345  -3.453
   65    HG2  GLU   8           HG2      GLU   8   1.528  11.152  -5.060
   66    HG3  GLU   8           HG3      GLU   8   1.725  12.340  -3.777
   67    H    MET   9           H        MET   9   0.378  10.126  -0.331
   68    HA   MET   9           HA       MET   9   0.456   7.333   0.122
   69    HB2  MET   9           HB2      MET   9  -0.354   9.579   1.993
   70    HB3  MET   9           HB3      MET   9   0.005   7.926   2.485
   71    HG2  MET   9           HG2      MET   9   2.281   8.126   1.600
   72    HG3  MET   9           HG3      MET   9   1.937   9.759   1.035
   73    HE1  MET   9           HE1      MET   9   3.734  11.085   2.281
   74    HE2  MET   9           HE2      MET   9   4.334   9.422   2.454
   75    HE3  MET   9           HE3      MET   9   4.361  10.524   3.834
   76    H    ARG  10           H        ARG  10  -2.211   9.687   0.114
   77    HA   ARG  10           HA       ARG  10  -4.245   7.971   1.052
   78    HB2  ARG  10           HB2      ARG  10  -4.398  10.354  -0.814
   79    HB3  ARG  10           HB3      ARG  10  -5.806   9.549  -0.123
   80    HG2  ARG  10           HG2      ARG  10  -4.914  10.009   2.163
   81    HG3  ARG  10           HG3      ARG  10  -3.575  10.894   1.437
   82    HD2  ARG  10           HD2      ARG  10  -5.261  12.396   0.322
   83    HD3  ARG  10           HD3      ARG  10  -6.522  11.579   1.244
   84    HE   ARG  10           HE       ARG  10  -4.550  12.456   3.051
   85   HH11  ARG  10          HH11      ARG  10  -6.921  13.769   0.873
   86   HH12  ARG  10          HH12      ARG  10  -7.156  15.213   1.798
   87   HH21  ARG  10          HH21      ARG  10  -4.869  14.343   4.244
   88   HH22  ARG  10          HH22      ARG  10  -5.999  15.535   3.698
   89    H    ASN  11           H        ASN  11  -2.960   8.543  -2.206
   90    HA   ASN  11           HA       ASN  11  -4.900   7.054  -3.636
   91    HB2  ASN  11           HB2      ASN  11  -1.983   7.553  -4.299
   92    HB3  ASN  11           HB3      ASN  11  -3.177   6.916  -5.423
   93   HD21  ASN  11          HD21      ASN  11  -1.640   9.553  -5.451
   94   HD22  ASN  11          HD22      ASN  11  -2.844  10.743  -5.578
   95    H    ALA  12           H        ALA  12  -1.667   6.070  -2.424
   96    HA   ALA  12           HA       ALA  12  -1.976   3.335  -3.202
   97    HB1  ALA  12           HB1      ALA  12   0.223   4.571  -2.731
   98    HB2  ALA  12           HB2      ALA  12   0.091   2.924  -2.116
   99    HB3  ALA  12           HB3      ALA  12  -0.118   4.295  -1.022
  100    H    TYR  13           H        TYR  13  -2.778   5.146  -0.296
  101    HA   TYR  13           HA       TYR  13  -3.129   3.109   1.588
  102    HB2  TYR  13           HB2      TYR  13  -3.250   5.522   2.098
  103    HB3  TYR  13           HB3      TYR  13  -4.752   5.650   1.201
  104    HD1  TYR  13           HD1      TYR  13  -6.803   4.376   2.037
  105    HD2  TYR  13           HD2      TYR  13  -3.221   4.805   4.377
  106    HE1  TYR  13           HE1      TYR  13  -8.073   3.811   4.085
  107    HE2  TYR  13           HE2      TYR  13  -4.498   4.237   6.424
  108    HH   TYR  13           HH       TYR  13  -7.337   4.492   6.948
  109    H    TRP  14           H        TRP  14  -5.702   4.598  -0.382
  110    HA   TRP  14           HA       TRP  14  -7.641   2.599   0.216
  111    HB2  TRP  14           HB2      TRP  14  -8.151   4.955  -0.414
  112    HB3  TRP  14           HB3      TRP  14  -7.612   4.592  -2.047
  113    HD1  TRP  14           HD1      TRP  14 -10.337   3.608   0.479
  114    HE1  TRP  14           HE1      TRP  14 -12.359   2.668  -0.816
  115    HE3  TRP  14           HE3      TRP  14  -8.415   3.562  -4.255
  116    HZ2  TRP  14           HZ2      TRP  14 -13.069   1.988  -3.499
  117    HZ3  TRP  14           HZ3      TRP  14  -9.786   2.763  -6.159
  118    HH2  TRP  14           HH2      TRP  14 -12.108   1.977  -5.788
  119    H    GLU  15           H        GLU  15  -5.524   3.161  -2.610
  120    HA   GLU  15           HA       GLU  15  -6.612   1.227  -4.316
  121    HB2  GLU  15           HB2      GLU  15  -4.943   2.945  -4.989
  122    HB3  GLU  15           HB3      GLU  15  -3.696   2.030  -4.141
  123    HG2  GLU  15           HG2      GLU  15  -4.168   0.068  -5.591
  124    HG3  GLU  15           HG3      GLU  15  -5.396   0.996  -6.440
  125    H    ILE  16           H        ILE  16  -4.008   0.870  -1.885
  126    HA   ILE  16           HA       ILE  16  -3.514  -1.882  -2.428
  127    HB   ILE  16           HB       ILE  16  -3.010  -0.213   0.056
  128   HG12  ILE  16          HG12      ILE  16  -1.056  -1.258  -2.017
  129   HG13  ILE  16          HG13      ILE  16  -1.804   0.326  -2.144
  130   HG21  ILE  16          HG21      ILE  16  -3.042  -2.456   0.859
  131   HG22  ILE  16          HG22      ILE  16  -1.340  -2.130   0.539
  132   HG23  ILE  16          HG23      ILE  16  -2.287  -3.079  -0.607
  133   HD11  ILE  16          HD11      ILE  16  -0.906   0.832   0.174
  134   HD12  ILE  16          HD12      ILE  16   0.328   0.633  -1.068
  135   HD13  ILE  16          HD13      ILE  16   0.007  -0.673   0.070
  136    H    ALA  17           H        ALA  17  -5.619  -0.205  -0.096
  137    HA   ALA  17           HA       ALA  17  -6.573  -2.459   1.286
  138    HB1  ALA  17           HB1      ALA  17  -8.450  -1.036   1.957
  139    HB2  ALA  17           HB2      ALA  17  -8.045   0.121   0.689
  140    HB3  ALA  17           HB3      ALA  17  -6.936  -0.135   2.036
  141    H    LEU  18           H        LEU  18  -7.432  -1.163  -1.852
  142    HA   LEU  18           HA       LEU  18  -9.944  -2.372  -2.213
  143    HB2  LEU  18           HB2      LEU  18  -8.936  -0.610  -3.691
  144    HB3  LEU  18           HB3      LEU  18  -7.869  -1.843  -4.356
  145    HG   LEU  18           HG       LEU  18  -9.937  -3.170  -4.994
  146   HD11  LEU  18          HD11      LEU  18 -11.649  -2.304  -3.600
  147   HD12  LEU  18          HD12      LEU  18 -12.028  -1.660  -5.194
  148   HD13  LEU  18          HD13      LEU  18 -11.246  -0.633  -3.995
  149   HD21  LEU  18          HD21      LEU  18 -10.459  -1.738  -6.953
  150   HD22  LEU  18          HD22      LEU  18  -8.724  -1.811  -6.648
  151   HD23  LEU  18          HD23      LEU  18  -9.644  -0.383  -6.170
  152    H    LEU  19           H        LEU  19  -6.661  -3.656  -2.677
  153    HA   LEU  19           HA       LEU  19  -7.375  -6.019  -4.060
  154    HB2  LEU  19           HB2      LEU  19  -5.014  -5.067  -2.516
  155    HB3  LEU  19           HB3      LEU  19  -5.138  -6.797  -2.800
  156    HG   LEU  19           HG       LEU  19  -4.987  -6.559  -5.133
  157   HD11  LEU  19          HD11      LEU  19  -6.647  -4.931  -5.652
  158   HD12  LEU  19          HD12      LEU  19  -5.129  -4.260  -6.246
  159   HD13  LEU  19          HD13      LEU  19  -5.815  -3.677  -4.728
  160   HD21  LEU  19          HD21      LEU  19  -2.883  -5.888  -3.882
  161   HD22  LEU  19          HD22      LEU  19  -3.337  -4.208  -4.165
  162   HD23  LEU  19          HD23      LEU  19  -2.993  -5.271  -5.528
  163    HA   PRO  20           HA       PRO  20  -9.338  -8.014  -0.517
  164    HB2  PRO  20           HB2      PRO  20 -10.689  -9.876  -1.850
  165    HB3  PRO  20           HB3      PRO  20 -11.058  -8.154  -2.089
  166    HG2  PRO  20           HG2      PRO  20  -9.413  -9.977  -3.798
  167    HG3  PRO  20           HG3      PRO  20 -10.659  -8.814  -4.280
  168    HD2  PRO  20           HD2      PRO  20  -7.936  -8.299  -4.332
  169    HD3  PRO  20           HD3      PRO  20  -9.198  -7.050  -4.240
  170    H    ASN  21           H        ASN  21  -7.088  -9.700  -2.673
  171    HA   ASN  21           HA       ASN  21  -7.204 -12.139  -1.075
  172    HB2  ASN  21           HB2      ASN  21  -5.676 -13.056  -2.774
  173    HB3  ASN  21           HB3      ASN  21  -7.128 -12.358  -3.482
  174   HD21  ASN  21          HD21      ASN  21  -5.265 -12.518  -5.324
  175   HD22  ASN  21          HD22      ASN  21  -4.435 -11.054  -5.565
  176    H    LEU  22           H        LEU  22  -5.557  -9.285  -0.626
  177    HA   LEU  22           HA       LEU  22  -2.958 -10.326   0.026
  178    HB2  LEU  22           HB2      LEU  22  -4.249  -7.791   1.071
  179    HB3  LEU  22           HB3      LEU  22  -2.539  -8.214   1.167
  180    HG   LEU  22           HG       LEU  22  -3.878  -8.093  -1.521
  181   HD11  LEU  22          HD11      LEU  22  -4.454  -5.951  -0.526
  182   HD12  LEU  22          HD12      LEU  22  -3.091  -5.686  -1.614
  183   HD13  LEU  22          HD13      LEU  22  -2.826  -5.766   0.125
  184   HD21  LEU  22          HD21      LEU  22  -1.062  -7.563  -0.489
  185   HD22  LEU  22          HD22      LEU  22  -1.563  -7.438  -2.177
  186   HD23  LEU  22          HD23      LEU  22  -1.597  -8.998  -1.364
  187    H    ASN  23           H        ASN  23  -2.195 -11.128   1.914
  188    HA   ASN  23           HA       ASN  23  -3.935 -12.317   3.772
  189    HB2  ASN  23           HB2      ASN  23  -1.537 -12.954   3.402
  190    HB3  ASN  23           HB3      ASN  23  -1.064 -11.519   4.306
  191   HD21  ASN  23          HD21      ASN  23  -0.196 -12.589   6.154
  192   HD22  ASN  23          HD22      ASN  23  -1.140 -13.546   7.189
  193    H    ASN  24           H        ASN  24  -4.504 -11.826   5.906
  194    HA   ASN  24           HA       ASN  24  -5.378  -9.259   6.474
  195    HB2  ASN  24           HB2      ASN  24  -4.697 -11.482   8.416
  196    HB3  ASN  24           HB3      ASN  24  -5.643 -10.051   8.820
  197   HD21  ASN  24          HD21      ASN  24  -7.460  -9.725   6.862
  198   HD22  ASN  24          HD22      ASN  24  -8.379 -11.129   6.599
  199    H    GLN  25           H        GLN  25  -2.303 -10.760   7.402
  200    HA   GLN  25           HA       GLN  25  -1.462  -8.592   9.086
  201    HB2  GLN  25           HB2      GLN  25   0.084 -10.853   7.789
  202    HB3  GLN  25           HB3      GLN  25   0.779  -9.710   8.939
  203    HG2  GLN  25           HG2      GLN  25  -0.860 -10.400  10.644
  204    HG3  GLN  25           HG3      GLN  25  -1.597 -11.519   9.500
  205   HE21  GLN  25          HE21      GLN  25  -0.289 -12.196  12.091
  206   HE22  GLN  25          HE22      GLN  25   0.983 -13.253  11.707
  207    H    GLN  26           H        GLN  26  -0.896  -9.488   5.708
  208    HA   GLN  26           HA       GLN  26   1.100  -7.567   5.143
  209    HB2  GLN  26           HB2      GLN  26  -0.832  -9.028   3.335
  210    HB3  GLN  26           HB3      GLN  26   0.492  -8.020   2.749
  211    HG2  GLN  26           HG2      GLN  26   2.123  -9.430   3.932
  212    HG3  GLN  26           HG3      GLN  26   0.821 -10.419   4.587
  213   HE21  GLN  26          HE21      GLN  26  -0.811 -10.933   2.442
  214   HE22  GLN  26          HE22      GLN  26   0.046 -11.708   1.197
  215    H    LYS  27           H        LYS  27  -2.457  -7.414   4.598
  216    HA   LYS  27           HA       LYS  27  -2.435  -4.960   3.231
  217    HB2  LYS  27           HB2      LYS  27  -4.805  -4.769   3.785
  218    HB3  LYS  27           HB3      LYS  27  -4.413  -6.416   3.302
  219    HG2  LYS  27           HG2      LYS  27  -4.185  -6.977   5.762
  220    HG3  LYS  27           HG3      LYS  27  -4.844  -5.383   6.121
  221    HD2  LYS  27           HD2      LYS  27  -6.245  -7.479   4.426
  222    HD3  LYS  27           HD3      LYS  27  -6.584  -7.182   6.130
  223    HE2  LYS  27           HE2      LYS  27  -7.023  -4.738   5.455
  224    HE3  LYS  27           HE3      LYS  27  -7.042  -5.320   3.790
  225    HZ1  LYS  27           HZ1      LYS  27  -8.802  -6.217   6.006
  226    HZ2  LYS  27           HZ2      LYS  27  -8.759  -6.936   4.471
  227    HZ3  LYS  27           HZ3      LYS  27  -9.262  -5.322   4.638
  228    H    ARG  28           H        ARG  28  -2.647  -5.597   6.727
  229    HA   ARG  28           HA       ARG  28  -2.904  -2.830   7.456
  230    HB2  ARG  28           HB2      ARG  28  -2.078  -5.260   9.074
  231    HB3  ARG  28           HB3      ARG  28  -2.370  -3.660   9.757
  232    HG2  ARG  28           HG2      ARG  28  -4.696  -3.736   8.817
  233    HG3  ARG  28           HG3      ARG  28  -4.388  -5.389   8.287
  234    HD2  ARG  28           HD2      ARG  28  -3.859  -5.987  10.673
  235    HD3  ARG  28           HD3      ARG  28  -4.372  -4.371  11.145
  236    HE   ARG  28           HE       ARG  28  -6.081  -6.581  10.438
  237   HH11  ARG  28          HH11      ARG  28  -5.798  -3.117  10.462
  238   HH12  ARG  28          HH12      ARG  28  -7.508  -2.852  10.499
  239   HH21  ARG  28          HH21      ARG  28  -8.305  -6.217  10.486
  240   HH22  ARG  28          HH22      ARG  28  -8.920  -4.599  10.512
  241    H    ALA  29           H        ALA  29  -0.208  -5.120   7.234
  242    HA   ALA  29           HA       ALA  29   1.794  -3.536   8.397
  243    HB1  ALA  29           HB1      ALA  29   3.373  -5.006   7.147
  244    HB2  ALA  29           HB2      ALA  29   1.999  -5.680   6.273
  245    HB3  ALA  29           HB3      ALA  29   2.128  -5.902   8.017
  246    H    PHE  30           H        PHE  30   0.788  -3.770   4.967
  247    HA   PHE  30           HA       PHE  30   2.825  -2.125   3.919
  248    HB2  PHE  30           HB2      PHE  30   0.145  -3.034   2.972
  249    HB3  PHE  30           HB3      PHE  30   0.901  -1.688   2.124
  250    HD1  PHE  30           HD1      PHE  30   2.085  -4.941   3.637
  251    HD2  PHE  30           HD2      PHE  30   2.110  -2.314   0.235
  252    HE1  PHE  30           HE1      PHE  30   3.562  -6.517   2.430
  253    HE2  PHE  30           HE2      PHE  30   3.591  -3.894  -0.958
  254    HZ   PHE  30           HZ       PHE  30   4.325  -5.988   0.129
  255    H    ILE  31           H        ILE  31  -0.553  -1.223   4.748
  256    HA   ILE  31           HA       ILE  31  -0.206   1.525   4.209
  257    HB   ILE  31           HB       ILE  31  -2.201   0.093   5.987
  258   HG12  ILE  31          HG12      ILE  31  -2.277   1.246   3.166
  259   HG13  ILE  31          HG13      ILE  31  -2.366  -0.454   3.607
  260   HG21  ILE  31          HG21      ILE  31  -3.498   2.231   5.875
  261   HG22  ILE  31          HG22      ILE  31  -2.107   3.010   5.126
  262   HG23  ILE  31          HG23      ILE  31  -1.999   2.406   6.779
  263   HD11  ILE  31          HD11      ILE  31  -4.614  -0.165   3.459
  264   HD12  ILE  31          HD12      ILE  31  -4.488   1.591   3.560
  265   HD13  ILE  31          HD13      ILE  31  -4.479   0.617   5.034
  266    H    ARG  32           H        ARG  32   0.548  -0.398   7.057
  267    HA   ARG  32           HA       ARG  32   1.013   1.841   8.807
  268    HB2  ARG  32           HB2      ARG  32   0.529  -0.467   9.626
  269    HB3  ARG  32           HB3      ARG  32   2.095  -0.987   9.004
  270    HG2  ARG  32           HG2      ARG  32   3.225   0.657  10.479
  271    HG3  ARG  32           HG3      ARG  32   1.656   1.168  11.104
  272    HD2  ARG  32           HD2      ARG  32   1.255  -1.175  11.883
  273    HD3  ARG  32           HD3      ARG  32   2.882  -1.598  11.351
  274    HE   ARG  32           HE       ARG  32   3.069   0.626  13.068
  275   HH11  ARG  32          HH11      ARG  32   2.196  -2.737  13.164
  276   HH12  ARG  32          HH12      ARG  32   2.669  -2.943  14.815
  277   HH21  ARG  32          HH21      ARG  32   3.679   0.340  15.222
  278   HH22  ARG  32          HH22      ARG  32   3.504  -1.208  15.975
  279    H    SER  33           H        SER  33   3.051  -0.227   6.750
  280    HA   SER  33           HA       SER  33   5.539   0.859   7.498
  281    HB2  SER  33           HB2      SER  33   6.451  -0.207   5.535
  282    HB3  SER  33           HB3      SER  33   5.268  -1.283   6.267
  283    HG   SER  33           HG       SER  33   3.806  -0.022   4.678
  284    H    LEU  34           H        LEU  34   3.062   2.079   5.340
  285    HA   LEU  34           HA       LEU  34   4.542   3.809   3.703
  286    HB2  LEU  34           HB2      LEU  34   1.751   3.650   4.625
  287    HB3  LEU  34           HB3      LEU  34   2.278   5.301   4.353
  288    HG   LEU  34           HG       LEU  34   1.253   4.342   2.340
  289   HD11  LEU  34          HD11      LEU  34   4.210   4.630   1.818
  290   HD12  LEU  34          HD12      LEU  34   3.223   6.008   2.310
  291   HD13  LEU  34          HD13      LEU  34   2.858   5.145   0.815
  292   HD21  LEU  34          HD21      LEU  34   2.918   2.594   1.170
  293   HD22  LEU  34          HD22      LEU  34   1.612   2.069   2.228
  294   HD23  LEU  34          HD23      LEU  34   3.255   2.178   2.846
  295    H    TYR  35           H        TYR  35   3.254   4.306   6.961
  296    HA   TYR  35           HA       TYR  35   4.315   6.944   7.301
  297    HB2  TYR  35           HB2      TYR  35   2.361   6.048   8.578
  298    HB3  TYR  35           HB3      TYR  35   3.452   4.951   9.422
  299    HD1  TYR  35           HD1      TYR  35   2.580   8.523   8.876
  300    HD2  TYR  35           HD2      TYR  35   4.936   5.746  11.166
  301    HE1  TYR  35           HE1      TYR  35   3.149  10.324  10.482
  302    HE2  TYR  35           HE2      TYR  35   5.502   7.552  12.768
  303    HH   TYR  35           HH       TYR  35   5.526  10.427  12.362
  304    H    ASP  36           H        ASP  36   5.381   3.668   8.167
  305    HA   ASP  36           HA       ASP  36   7.565   4.332   9.798
  306    HB2  ASP  36           HB2      ASP  36   6.610   2.041   9.491
  307    HB3  ASP  36           HB3      ASP  36   7.401   1.968   7.918
  308    H    ASP  37           H        ASP  37   7.442   3.939   6.245
  309    HA   ASP  37           HA       ASP  37   9.896   5.531   6.028
  310    HB2  ASP  37           HB2      ASP  37   9.951   2.704   5.799
  311    HB3  ASP  37           HB3      ASP  37  10.119   3.327   4.163
  312    HA   PRO  38           HA       PRO  38   6.590   6.859   3.030
  313    HB2  PRO  38           HB2      PRO  38   8.196   9.359   3.321
  314    HB3  PRO  38           HB3      PRO  38   6.438   9.134   3.376
  315    HG2  PRO  38           HG2      PRO  38   7.838   9.598   5.585
  316    HG3  PRO  38           HG3      PRO  38   6.460   8.484   5.584
  317    HD2  PRO  38           HD2      PRO  38   9.387   7.855   5.616
  318    HD3  PRO  38           HD3      PRO  38   8.044   7.019   6.429
  319    H    SER  39           H        SER  39  10.053   6.868   3.011
  320    HA   SER  39           HA       SER  39  10.568   7.853   0.419
  321    HB2  SER  39           HB2      SER  39  12.754   6.830   0.662
  322    HB3  SER  39           HB3      SER  39  12.284   7.549   2.199
  323    HG   SER  39           HG       SER  39  12.169   5.611   3.065
  324    H    GLN  40           H        GLN  40   9.462   4.697   1.533
  325    HA   GLN  40           HA       GLN  40   9.950   3.506  -1.121
  326    HB2  GLN  40           HB2      GLN  40   8.857   2.117   1.331
  327    HB3  GLN  40           HB3      GLN  40   9.570   1.379  -0.098
  328    HG2  GLN  40           HG2      GLN  40  11.026   3.104   1.931
  329    HG3  GLN  40           HG3      GLN  40  11.164   1.359   1.774
  330   HE21  GLN  40          HE21      GLN  40  12.783   4.143   0.995
  331   HE22  GLN  40          HE22      GLN  40  13.609   3.607  -0.389
  332    H    SER  41           H        SER  41   7.503   5.329   0.097
  333    HA   SER  41           HA       SER  41   5.126   4.002  -0.039
  334    HB2  SER  41           HB2      SER  41   5.597   6.685  -1.353
  335    HB3  SER  41           HB3      SER  41   4.060   6.057  -0.765
  336    HG   SER  41           HG       SER  41   6.260   7.048   0.628
  337    H    ALA  42           H        ALA  42   6.961   5.107  -2.889
  338    HA   ALA  42           HA       ALA  42   5.044   4.267  -4.813
  339    HB1  ALA  42           HB1      ALA  42   8.048   4.581  -5.091
  340    HB2  ALA  42           HB2      ALA  42   6.850   5.848  -5.353
  341    HB3  ALA  42           HB3      ALA  42   6.902   4.449  -6.426
  342    H    ASN  43           H        ASN  43   7.946   2.704  -3.466
  343    HA   ASN  43           HA       ASN  43   7.801   0.326  -4.999
  344    HB2  ASN  43           HB2      ASN  43   9.040   0.807  -2.276
  345    HB3  ASN  43           HB3      ASN  43   9.314  -0.619  -3.272
  346   HD21  ASN  43          HD21      ASN  43  11.473   1.062  -2.508
  347   HD22  ASN  43          HD22      ASN  43  12.067   1.850  -3.893
  348    H    LEU  44           H        LEU  44   6.567   1.137  -1.762
  349    HA   LEU  44           HA       LEU  44   5.624  -1.396  -1.024
  350    HB2  LEU  44           HB2      LEU  44   4.510   1.310  -0.340
  351    HB3  LEU  44           HB3      LEU  44   4.107  -0.170   0.502
  352    HG   LEU  44           HG       LEU  44   6.940   0.922   0.269
  353   HD11  LEU  44          HD11      LEU  44   5.043   1.078   2.627
  354   HD12  LEU  44          HD12      LEU  44   5.462   2.437   1.587
  355   HD13  LEU  44          HD13      LEU  44   6.701   1.671   2.579
  356   HD21  LEU  44          HD21      LEU  44   7.277  -0.659   2.229
  357   HD22  LEU  44          HD22      LEU  44   6.984  -1.441   0.677
  358   HD23  LEU  44          HD23      LEU  44   5.685  -1.327   1.865
  359    H    LEU  45           H        LEU  45   3.992   1.206  -2.854
  360    HA   LEU  45           HA       LEU  45   1.448  -0.020  -3.053
  361    HB2  LEU  45           HB2      LEU  45   1.606   2.281  -3.640
  362    HB3  LEU  45           HB3      LEU  45   2.915   1.981  -4.773
  363    HG   LEU  45           HG       LEU  45   1.364   0.777  -6.277
  364   HD11  LEU  45          HD11      LEU  45  -0.813   1.541  -4.302
  365   HD12  LEU  45          HD12      LEU  45  -0.169  -0.088  -4.495
  366   HD13  LEU  45          HD13      LEU  45  -1.028   0.678  -5.824
  367   HD21  LEU  45          HD21      LEU  45   0.014   2.695  -6.985
  368   HD22  LEU  45          HD22      LEU  45   1.617   3.241  -6.494
  369   HD23  LEU  45          HD23      LEU  45   0.241   3.463  -5.413
  370    H    ALA  46           H        ALA  46   4.213  -0.033  -5.277
  371    HA   ALA  46           HA       ALA  46   3.138  -1.813  -7.208
  372    HB1  ALA  46           HB1      ALA  46   5.456  -2.120  -7.945
  373    HB2  ALA  46           HB2      ALA  46   6.046  -1.419  -6.437
  374    HB3  ALA  46           HB3      ALA  46   5.157  -0.419  -7.586
  375    H    GLU  47           H        GLU  47   5.041  -2.336  -4.287
  376    HA   GLU  47           HA       GLU  47   5.436  -5.122  -4.503
  377    HB2  GLU  47           HB2      GLU  47   5.404  -3.164  -2.201
  378    HB3  GLU  47           HB3      GLU  47   5.602  -4.898  -1.917
  379    HG2  GLU  47           HG2      GLU  47   7.351  -3.303  -3.818
  380    HG3  GLU  47           HG3      GLU  47   7.775  -3.619  -2.139
  381    H    ALA  48           H        ALA  48   2.783  -3.182  -3.200
  382    HA   ALA  48           HA       ALA  48   1.360  -5.276  -1.927
  383    HB1  ALA  48           HB1      ALA  48   0.069  -2.879  -3.236
  384    HB2  ALA  48           HB2      ALA  48   0.973  -2.743  -1.731
  385    HB3  ALA  48           HB3      ALA  48  -0.462  -3.763  -1.807
  386    H    LYS  49           H        LYS  49   1.270  -3.936  -5.204
  387    HA   LYS  49           HA       LYS  49  -0.860  -5.528  -6.180
  388    HB2  LYS  49           HB2      LYS  49   0.484  -3.429  -7.188
  389    HB3  LYS  49           HB3      LYS  49   1.335  -4.722  -8.034
  390    HG2  LYS  49           HG2      LYS  49  -1.002  -5.632  -8.641
  391    HG3  LYS  49           HG3      LYS  49  -1.618  -4.076  -8.097
  392    HD2  LYS  49           HD2      LYS  49   0.412  -3.246  -9.721
  393    HD3  LYS  49           HD3      LYS  49  -0.053  -4.744 -10.528
  394    HE2  LYS  49           HE2      LYS  49  -2.450  -3.928 -10.470
  395    HE3  LYS  49           HE3      LYS  49  -1.841  -2.379  -9.874
  396    HZ1  LYS  49           HZ1      LYS  49  -0.439  -2.244 -11.867
  397    HZ2  LYS  49           HZ2      LYS  49  -2.090  -2.303 -12.254
  398    HZ3  LYS  49           HZ3      LYS  49  -1.124  -3.687 -12.446
  399    H    LYS  50           H        LYS  50   2.627  -6.016  -5.918
  400    HA   LYS  50           HA       LYS  50   2.909  -8.321  -7.504
  401    HB2  LYS  50           HB2      LYS  50   4.755  -6.909  -6.520
  402    HB3  LYS  50           HB3      LYS  50   4.438  -7.678  -4.969
  403    HG2  LYS  50           HG2      LYS  50   4.960  -9.878  -5.895
  404    HG3  LYS  50           HG3      LYS  50   5.135  -9.189  -7.510
  405    HD2  LYS  50           HD2      LYS  50   7.362  -9.357  -6.742
  406    HD3  LYS  50           HD3      LYS  50   6.947  -7.667  -6.454
  407    HE2  LYS  50           HE2      LYS  50   6.309  -8.331  -4.086
  408    HE3  LYS  50           HE3      LYS  50   7.002  -9.918  -4.421
  409    HZ1  LYS  50           HZ1      LYS  50   8.528  -7.422  -4.861
  410    HZ2  LYS  50           HZ2      LYS  50   9.119  -9.007  -4.708
  411    HZ3  LYS  50           HZ3      LYS  50   8.498  -8.194  -3.347
  412    H    LEU  51           H        LEU  51   2.161  -7.930  -4.050
  413    HA   LEU  51           HA       LEU  51   2.055 -10.668  -3.353
  414    HB2  LEU  51           HB2      LEU  51   0.679  -8.229  -2.198
  415    HB3  LEU  51           HB3      LEU  51   0.566  -9.821  -1.451
  416    HG   LEU  51           HG       LEU  51   3.165  -8.340  -2.023
  417   HD11  LEU  51          HD11      LEU  51   1.583  -8.719   0.538
  418   HD12  LEU  51          HD12      LEU  51   1.951  -7.195  -0.266
  419   HD13  LEU  51          HD13      LEU  51   3.245  -8.131   0.483
  420   HD21  LEU  51          HD21      LEU  51   2.489 -11.022  -0.813
  421   HD22  LEU  51          HD22      LEU  51   3.936 -10.162  -0.286
  422   HD23  LEU  51          HD23      LEU  51   3.750 -10.616  -1.978
  423    H    ASN  52           H        ASN  52  -0.448  -8.418  -4.488
  424    HA   ASN  52           HA       ASN  52  -2.652 -10.177  -4.381
  425    HB2  ASN  52           HB2      ASN  52  -3.081  -7.858  -4.657
  426    HB3  ASN  52           HB3      ASN  52  -2.039  -7.743  -6.067
  427   HD21  ASN  52          HD21      ASN  52  -5.173  -9.049  -4.944
  428   HD22  ASN  52          HD22      ASN  52  -5.861  -9.157  -6.494
  429    H    ASP  53           H        ASP  53  -0.429  -9.387  -7.045
  430    HA   ASP  53           HA       ASP  53  -1.578 -11.060  -8.997
  431    HB2  ASP  53           HB2      ASP  53   0.085  -9.266  -9.432
  432    HB3  ASP  53           HB3      ASP  53   1.335 -10.269  -8.729
  433    H    ALA  54           H        ALA  54   0.885 -11.708  -6.532
  434    HA   ALA  54           HA       ALA  54   1.501 -14.315  -7.532
  435    HB1  ALA  54           HB1      ALA  54   2.107 -13.010  -4.871
  436    HB2  ALA  54           HB2      ALA  54   3.165 -13.077  -6.280
  437    HB3  ALA  54           HB3      ALA  54   2.771 -14.556  -5.404
  438    H    GLN  55           H        GLN  55  -0.292 -13.189  -4.645
  439    HA   GLN  55           HA       GLN  55  -1.052 -15.769  -3.747
  440    HB2  GLN  55           HB2      GLN  55  -2.291 -13.055  -3.198
  441    HB3  GLN  55           HB3      GLN  55  -2.730 -14.544  -2.360
  442    HG2  GLN  55           HG2      GLN  55  -0.581 -14.757  -1.376
  443    HG3  GLN  55           HG3      GLN  55   0.135 -13.581  -2.480
  444   HE21  GLN  55          HE21      GLN  55  -1.303 -11.368  -2.379
  445   HE22  GLN  55          HE22      GLN  55  -1.548 -10.797  -0.801
  446    H    ALA  56           H        ALA  56  -2.455 -13.622  -6.128
  447    HA   ALA  56           HA       ALA  56  -5.085 -14.530  -6.203
  448    HB1  ALA  56           HB1      ALA  56  -3.259 -13.428  -8.327
  449    HB2  ALA  56           HB2      ALA  56  -4.620 -12.647  -7.522
  450    HB3  ALA  56           HB3      ALA  56  -4.910 -13.915  -8.714
  451    HA   PRO  57           HA       PRO  57  -4.849 -18.716  -7.645
  452    HB2  PRO  57           HB2      PRO  57  -7.272 -18.897  -8.960
  453    HB3  PRO  57           HB3      PRO  57  -7.085 -18.977  -7.198
  454    HG2  PRO  57           HG2      PRO  57  -7.933 -16.697  -8.907
  455    HG3  PRO  57           HG3      PRO  57  -8.506 -17.185  -7.304
  456    HD2  PRO  57           HD2      PRO  57  -6.779 -15.112  -7.693
  457    HD3  PRO  57           HD3      PRO  57  -6.796 -16.088  -6.208
  458    H    LYS  58           H        LYS  58  -4.873 -20.028  -9.634
  459    HA   LYS  58           HA       LYS  58  -4.382 -20.522 -11.795
  460    HB2  LYS  58           HB2      LYS  58  -6.260 -18.794 -12.253
  461    HB3  LYS  58           HB3      LYS  58  -4.947 -17.685 -12.641
  462    HG2  LYS  58           HG2      LYS  58  -4.081 -19.245 -14.319
  463    HG3  LYS  58           HG3      LYS  58  -5.328 -20.414 -13.894
  464    HD2  LYS  58           HD2      LYS  58  -6.084 -19.270 -15.883
  465    HD3  LYS  58           HD3      LYS  58  -7.062 -18.684 -14.540
  466    HE2  LYS  58           HE2      LYS  58  -6.347 -16.798 -15.936
  467    HE3  LYS  58           HE3      LYS  58  -5.573 -16.687 -14.356
  468    HZ1  LYS  58           HZ1      LYS  58  -4.214 -16.463 -16.584
  469    HZ2  LYS  58           HZ2      LYS  58  -4.173 -18.154 -16.467
  470    HZ3  LYS  58           HZ3      LYS  58  -3.545 -17.202 -15.207
  Start of MODEL    7
    1    H    VAL   1           H        VAL   1   4.435  19.909   6.729
    2    HA   VAL   1           HA       VAL   1   6.600  19.549   4.780
    3    HB   VAL   1           HB       VAL   1   5.514  17.303   4.228
    4   HG11  VAL   1          HG11      VAL   1   6.930  17.489   6.908
    5   HG12  VAL   1          HG12      VAL   1   7.735  17.535   5.339
    6   HG13  VAL   1          HG13      VAL   1   6.873  16.083   5.844
    7   HG21  VAL   1          HG21      VAL   1   3.481  17.730   5.689
    8   HG22  VAL   1          HG22      VAL   1   4.519  17.489   7.095
    9   HG23  VAL   1          HG23      VAL   1   4.255  16.169   5.955
   10    H    ASP   2           H        ASP   2   5.589  19.136   2.639
   11    HA   ASP   2           HA       ASP   2   3.271  20.877   2.264
   12    HB2  ASP   2           HB2      ASP   2   5.098  19.535   0.246
   13    HB3  ASP   2           HB3      ASP   2   3.853  20.724  -0.129
   14    H    ASN   3           H        ASN   3   1.882  20.082   0.260
   15    HA   ASN   3           HA       ASN   3   0.173  18.058   1.114
   16    HB2  ASN   3           HB2      ASN   3   0.634  19.055  -1.712
   17    HB3  ASN   3           HB3      ASN   3  -0.761  18.121  -1.180
   18   HD21  ASN   3          HD21      ASN   3  -0.221  21.136  -2.063
   19   HD22  ASN   3          HD22      ASN   3  -1.124  22.003  -0.913
   20    H    LYS   4           H        LYS   4   3.145  17.818  -0.661
   21    HA   LYS   4           HA       LYS   4   3.094  15.524  -2.113
   22    HB2  LYS   4           HB2      LYS   4   5.122  16.733  -2.014
   23    HB3  LYS   4           HB3      LYS   4   5.191  16.657  -0.260
   24    HG2  LYS   4           HG2      LYS   4   5.211  13.991  -1.540
   25    HG3  LYS   4           HG3      LYS   4   6.579  14.996  -1.996
   26    HD2  LYS   4           HD2      LYS   4   7.457  15.042   0.132
   27    HD3  LYS   4           HD3      LYS   4   5.877  14.968   0.907
   28    HE2  LYS   4           HE2      LYS   4   7.130  12.885   1.297
   29    HE3  LYS   4           HE3      LYS   4   5.696  12.571   0.319
   30    HZ1  LYS   4           HZ1      LYS   4   8.137  11.744  -0.342
   31    HZ2  LYS   4           HZ2      LYS   4   8.116  13.237  -1.147
   32    HZ3  LYS   4           HZ3      LYS   4   6.921  12.074  -1.486
   33    H    PHE   5           H        PHE   5   3.351  15.690   1.426
   34    HA   PHE   5           HA       PHE   5   3.779  12.954   1.906
   35    HB2  PHE   5           HB2      PHE   5   3.580  15.261   3.453
   36    HB3  PHE   5           HB3      PHE   5   2.217  14.287   3.998
   37    HD1  PHE   5           HD1      PHE   5   2.629  11.891   4.719
   38    HD2  PHE   5           HD2      PHE   5   5.823  14.675   4.029
   39    HE1  PHE   5           HE1      PHE   5   4.171  10.425   5.988
   40    HE2  PHE   5           HE2      PHE   5   7.368  13.218   5.301
   41    HZ   PHE   5           HZ       PHE   5   6.545  11.093   6.289
   42    H    ASN   6           H        ASN   6   0.719  14.784   2.196
   43    HA   ASN   6           HA       ASN   6  -0.900  12.511   2.673
   44    HB2  ASN   6           HB2      ASN   6  -1.654  15.257   1.657
   45    HB3  ASN   6           HB3      ASN   6  -2.794  14.050   2.244
   46   HD21  ASN   6          HD21      ASN   6  -1.654  16.827   3.305
   47   HD22  ASN   6          HD22      ASN   6  -1.370  16.488   4.946
   48    H    LYS   7           H        LYS   7  -0.214  14.281  -0.354
   49    HA   LYS   7           HA       LYS   7  -2.140  13.067  -1.975
   50    HB2  LYS   7           HB2      LYS   7   0.608  14.092  -2.722
   51    HB3  LYS   7           HB3      LYS   7  -0.648  13.676  -3.884
   52    HG2  LYS   7           HG2      LYS   7  -1.026  15.728  -1.677
   53    HG3  LYS   7           HG3      LYS   7  -0.521  16.140  -3.313
   54    HD2  LYS   7           HD2      LYS   7  -2.622  14.976  -4.147
   55    HD3  LYS   7           HD3      LYS   7  -3.142  14.865  -2.465
   56    HE2  LYS   7           HE2      LYS   7  -3.018  17.318  -2.251
   57    HE3  LYS   7           HE3      LYS   7  -2.479  17.443  -3.927
   58    HZ1  LYS   7           HZ1      LYS   7  -4.546  16.467  -4.651
   59    HZ2  LYS   7           HZ2      LYS   7  -4.870  17.825  -3.688
   60    HZ3  LYS   7           HZ3      LYS   7  -5.061  16.264  -3.045
   61    H    GLU   8           H        GLU   8   1.322  12.130  -1.833
   62    HA   GLU   8           HA       GLU   8   1.035   9.820  -3.421
   63    HB2  GLU   8           HB2      GLU   8   3.102  10.498  -1.312
   64    HB3  GLU   8           HB3      GLU   8   3.231   9.134  -2.425
   65    HG2  GLU   8           HG2      GLU   8   3.033  10.759  -4.340
   66    HG3  GLU   8           HG3      GLU   8   3.096  12.075  -3.169
   67    H    MET   9           H        MET   9   0.798  10.269   0.080
   68    HA   MET   9           HA       MET   9   0.734   7.558   0.833
   69    HB2  MET   9           HB2      MET   9   1.029   9.475   2.391
   70    HB3  MET   9           HB3      MET   9  -0.677   9.868   2.193
   71    HG2  MET   9           HG2      MET   9  -1.239   7.547   2.996
   72    HG3  MET   9           HG3      MET   9   0.474   7.296   3.328
   73    HE1  MET   9           HE1      MET   9   1.886   8.726   4.700
   74    HE2  MET   9           HE2      MET   9   1.375   9.788   6.021
   75    HE3  MET   9           HE3      MET   9   1.299  10.351   4.355
   76    H    ARG  10           H        ARG  10  -2.010   9.813   0.316
   77    HA   ARG  10           HA       ARG  10  -4.075   7.976   0.720
   78    HB2  ARG  10           HB2      ARG  10  -3.943  10.455  -1.005
   79    HB3  ARG  10           HB3      ARG  10  -5.430   9.537  -0.761
   80    HG2  ARG  10           HG2      ARG  10  -5.223   9.853   1.688
   81    HG3  ARG  10           HG3      ARG  10  -3.750  10.787   1.444
   82    HD2  ARG  10           HD2      ARG  10  -5.081  12.385   0.023
   83    HD3  ARG  10           HD3      ARG  10  -6.535  11.497   0.475
   84    HE   ARG  10           HE       ARG  10  -5.176  12.217   2.834
   85   HH11  ARG  10          HH11      ARG  10  -6.873  13.701   0.188
   86   HH12  ARG  10          HH12      ARG  10  -7.399  15.059   1.122
   87   HH21  ARG  10          HH21      ARG  10  -5.870  13.997   4.037
   88   HH22  ARG  10          HH22      ARG  10  -6.835  15.226   3.290
   89    H    ASN  11           H        ASN  11  -2.243   8.678  -2.249
   90    HA   ASN  11           HA       ASN  11  -3.837   7.221  -4.049
   91    HB2  ASN  11           HB2      ASN  11  -0.930   7.990  -4.019
   92    HB3  ASN  11           HB3      ASN  11  -1.550   6.936  -5.287
   93   HD21  ASN  11          HD21      ASN  11  -1.009  10.169  -4.604
   94   HD22  ASN  11          HD22      ASN  11  -2.156  10.853  -5.654
   95    H    ALA  12           H        ALA  12  -0.753   6.076  -2.569
   96    HA   ALA  12           HA       ALA  12  -1.206   3.375  -3.365
   97    HB1  ALA  12           HB1      ALA  12   1.048   4.281  -2.898
   98    HB2  ALA  12           HB2      ALA  12   0.719   2.811  -1.984
   99    HB3  ALA  12           HB3      ALA  12   0.636   4.386  -1.185
  100    H    TYR  13           H        TYR  13  -2.200   5.194  -0.542
  101    HA   TYR  13           HA       TYR  13  -2.663   3.147   1.312
  102    HB2  TYR  13           HB2      TYR  13  -2.837   5.533   1.868
  103    HB3  TYR  13           HB3      TYR  13  -4.259   5.689   0.848
  104    HD1  TYR  13           HD1      TYR  13  -6.389   4.509   1.491
  105    HD2  TYR  13           HD2      TYR  13  -2.969   4.623   4.091
  106    HE1  TYR  13           HE1      TYR  13  -7.821   3.852   3.403
  107    HE2  TYR  13           HE2      TYR  13  -4.407   3.972   6.004
  108    HH   TYR  13           HH       TYR  13  -7.360   4.308   6.280
  109    H    TRP  14           H        TRP  14  -5.098   4.610  -0.883
  110    HA   TRP  14           HA       TRP  14  -7.039   2.590  -0.343
  111    HB2  TRP  14           HB2      TRP  14  -6.876   4.678  -2.521
  112    HB3  TRP  14           HB3      TRP  14  -8.241   3.589  -2.293
  113    HD1  TRP  14           HD1      TRP  14  -6.922   6.845  -1.145
  114    HE1  TRP  14           HE1      TRP  14  -8.292   7.721   0.854
  115    HE3  TRP  14           HE3      TRP  14  -9.570   2.635   0.028
  116    HZ2  TRP  14           HZ2      TRP  14 -10.250   6.767   2.703
  117    HZ3  TRP  14           HZ3      TRP  14 -11.181   2.648   1.912
  118    HH2  TRP  14           HH2      TRP  14 -11.525   4.708   3.249
  119    H    GLU  15           H        GLU  15  -4.710   3.042  -3.013
  120    HA   GLU  15           HA       GLU  15  -5.729   1.065  -4.730
  121    HB2  GLU  15           HB2      GLU  15  -2.924   2.122  -4.341
  122    HB3  GLU  15           HB3      GLU  15  -3.330   0.943  -5.589
  123    HG2  GLU  15           HG2      GLU  15  -5.011   2.488  -6.522
  124    HG3  GLU  15           HG3      GLU  15  -4.635   3.670  -5.273
  125    H    ILE  16           H        ILE  16  -3.423   0.757  -2.025
  126    HA   ILE  16           HA       ILE  16  -2.911  -2.031  -2.454
  127    HB   ILE  16           HB       ILE  16  -2.577  -0.283   0.008
  128   HG12  ILE  16          HG12      ILE  16  -0.472  -1.429  -1.857
  129   HG13  ILE  16          HG13      ILE  16  -1.184   0.161  -2.106
  130   HG21  ILE  16          HG21      ILE  16  -1.032  -2.179   0.750
  131   HG22  ILE  16          HG22      ILE  16  -1.771  -3.165  -0.511
  132   HG23  ILE  16          HG23      ILE  16  -2.755  -2.547   0.817
  133   HD11  ILE  16          HD11      ILE  16  -0.448   0.812   0.193
  134   HD12  ILE  16          HD12      ILE  16   0.903   0.393  -0.861
  135   HD13  ILE  16          HD13      ILE  16   0.342  -0.757   0.350
  136    H    ALA  17           H        ALA  17  -5.056  -0.243  -0.231
  137    HA   ALA  17           HA       ALA  17  -6.209  -2.449   1.065
  138    HB1  ALA  17           HB1      ALA  17  -6.472  -0.128   1.841
  139    HB2  ALA  17           HB2      ALA  17  -8.039  -0.914   1.652
  140    HB3  ALA  17           HB3      ALA  17  -7.474   0.233   0.436
  141    H    LEU  18           H        LEU  18  -6.865  -1.048  -2.082
  142    HA   LEU  18           HA       LEU  18  -9.424  -2.079  -2.583
  143    HB2  LEU  18           HB2      LEU  18  -8.239  -0.383  -3.990
  144    HB3  LEU  18           HB3      LEU  18  -7.204  -1.668  -4.603
  145    HG   LEU  18           HG       LEU  18  -9.285  -2.872  -5.395
  146   HD11  LEU  18          HD11      LEU  18 -10.540  -0.303  -4.406
  147   HD12  LEU  18          HD12      LEU  18 -11.034  -1.963  -4.075
  148   HD13  LEU  18          HD13      LEU  18 -11.297  -1.270  -5.673
  149   HD21  LEU  18          HD21      LEU  18  -9.635  -1.376  -7.343
  150   HD22  LEU  18          HD22      LEU  18  -7.923  -1.527  -6.945
  151   HD23  LEU  18          HD23      LEU  18  -8.813  -0.074  -6.483
  152    H    LEU  19           H        LEU  19  -6.228  -3.597  -2.921
  153    HA   LEU  19           HA       LEU  19  -7.077  -5.895  -4.353
  154    HB2  LEU  19           HB2      LEU  19  -4.676  -5.067  -2.831
  155    HB3  LEU  19           HB3      LEU  19  -4.927  -6.801  -2.955
  156    HG   LEU  19           HG       LEU  19  -4.800  -6.774  -5.322
  157   HD11  LEU  19          HD11      LEU  19  -4.583  -4.512  -6.555
  158   HD12  LEU  19          HD12      LEU  19  -5.278  -3.799  -5.098
  159   HD13  LEU  19          HD13      LEU  19  -6.193  -4.993  -6.020
  160   HD21  LEU  19          HD21      LEU  19  -2.652  -5.773  -5.780
  161   HD22  LEU  19          HD22      LEU  19  -2.628  -6.336  -4.111
  162   HD23  LEU  19          HD23      LEU  19  -2.846  -4.621  -4.460
  163    HA   PRO  20           HA       PRO  20  -9.269  -7.744  -0.873
  164    HB2  PRO  20           HB2      PRO  20 -10.659  -9.565  -2.223
  165    HB3  PRO  20           HB3      PRO  20 -10.931  -7.832  -2.508
  166    HG2  PRO  20           HG2      PRO  20  -9.313  -9.770  -4.113
  167    HG3  PRO  20           HG3      PRO  20 -10.480  -8.559  -4.668
  168    HD2  PRO  20           HD2      PRO  20  -7.735  -8.171  -4.626
  169    HD3  PRO  20           HD3      PRO  20  -8.936  -6.860  -4.598
  170    H    ASN  21           H        ASN  21  -7.053  -9.619  -2.923
  171    HA   ASN  21           HA       ASN  21  -7.335 -11.977  -1.223
  172    HB2  ASN  21           HB2      ASN  21  -5.851 -13.068  -2.849
  173    HB3  ASN  21           HB3      ASN  21  -7.247 -12.321  -3.615
  174   HD21  ASN  21          HD21      ASN  21  -5.323 -12.721  -5.393
  175   HD22  ASN  21          HD22      ASN  21  -4.423 -11.311  -5.707
  176    H    LEU  22           H        LEU  22  -5.526  -9.203  -0.899
  177    HA   LEU  22           HA       LEU  22  -2.993 -10.333  -0.153
  178    HB2  LEU  22           HB2      LEU  22  -4.225  -7.719   0.763
  179    HB3  LEU  22           HB3      LEU  22  -2.546  -8.204   0.982
  180    HG   LEU  22           HG       LEU  22  -3.726  -8.097  -1.778
  181   HD11  LEU  22          HD11      LEU  22  -4.197  -5.896  -0.811
  182   HD12  LEU  22          HD12      LEU  22  -2.816  -5.750  -1.898
  183   HD13  LEU  22          HD13      LEU  22  -2.563  -5.802  -0.155
  184   HD21  LEU  22          HD21      LEU  22  -1.227  -7.382  -2.116
  185   HD22  LEU  22          HD22      LEU  22  -1.589  -9.076  -1.803
  186   HD23  LEU  22          HD23      LEU  22  -0.989  -8.043  -0.501
  187    H    ASN  23           H        ASN  23  -2.317 -11.132   1.785
  188    HA   ASN  23           HA       ASN  23  -4.197 -12.074   3.680
  189    HB2  ASN  23           HB2      ASN  23  -1.860 -12.963   3.412
  190    HB3  ASN  23           HB3      ASN  23  -1.272 -11.516   4.230
  191   HD21  ASN  23          HD21      ASN  23  -3.072 -14.528   4.697
  192   HD22  ASN  23          HD22      ASN  23  -3.097 -14.450   6.395
  193    H    ASN  24           H        ASN  24  -4.828 -11.299   5.720
  194    HA   ASN  24           HA       ASN  24  -5.305  -8.576   6.001
  195    HB2  ASN  24           HB2      ASN  24  -6.434 -10.485   7.234
  196    HB3  ASN  24           HB3      ASN  24  -5.062 -10.478   8.336
  197   HD21  ASN  24          HD21      ASN  24  -5.417  -9.201  10.158
  198   HD22  ASN  24          HD22      ASN  24  -6.415  -7.827  10.206
  199    H    GLN  25           H        GLN  25  -2.633 -10.491   7.332
  200    HA   GLN  25           HA       GLN  25  -1.511  -8.432   8.944
  201    HB2  GLN  25           HB2      GLN  25  -0.237 -10.873   7.670
  202    HB3  GLN  25           HB3      GLN  25   0.545  -9.851   8.878
  203    HG2  GLN  25           HG2      GLN  25  -1.241 -10.348  10.491
  204    HG3  GLN  25           HG3      GLN  25  -2.080 -11.327   9.288
  205   HE21  GLN  25          HE21      GLN  25  -1.038 -12.275  11.893
  206   HE22  GLN  25          HE22      GLN  25   0.107 -13.478  11.541
  207    H    GLN  26           H        GLN  26  -0.843  -9.537   5.636
  208    HA   GLN  26           HA       GLN  26   1.302  -7.784   5.074
  209    HB2  GLN  26           HB2      GLN  26  -0.696  -9.100   3.222
  210    HB3  GLN  26           HB3      GLN  26   0.763  -8.262   2.692
  211    HG2  GLN  26           HG2      GLN  26   2.176  -9.829   3.905
  212    HG3  GLN  26           HG3      GLN  26   0.769 -10.604   4.629
  213   HE21  GLN  26          HE21      GLN  26  -0.912 -10.816   2.318
  214   HE22  GLN  26          HE22      GLN  26  -0.168 -11.875   1.216
  215    H    LYS  27           H        LYS  27  -2.192  -7.413   4.761
  216    HA   LYS  27           HA       LYS  27  -2.258  -5.065   3.199
  217    HB2  LYS  27           HB2      LYS  27  -4.223  -6.482   3.635
  218    HB3  LYS  27           HB3      LYS  27  -4.182  -6.041   5.336
  219    HG2  LYS  27           HG2      LYS  27  -4.528  -3.636   4.654
  220    HG3  LYS  27           HG3      LYS  27  -4.715  -4.186   2.988
  221    HD2  LYS  27           HD2      LYS  27  -6.937  -4.066   3.787
  222    HD3  LYS  27           HD3      LYS  27  -6.536  -5.776   3.922
  223    HE2  LYS  27           HE2      LYS  27  -5.720  -4.985   6.363
  224    HE3  LYS  27           HE3      LYS  27  -6.935  -3.741   6.075
  225    HZ1  LYS  27           HZ1      LYS  27  -8.090  -6.105   5.264
  226    HZ2  LYS  27           HZ2      LYS  27  -8.440  -5.234   6.677
  227    HZ3  LYS  27           HZ3      LYS  27  -7.292  -6.489   6.717
  228    H    ARG  28           H        ARG  28  -2.733  -5.372   6.718
  229    HA   ARG  28           HA       ARG  28  -2.548  -2.636   7.335
  230    HB2  ARG  28           HB2      ARG  28  -3.475  -4.404   8.836
  231    HB3  ARG  28           HB3      ARG  28  -1.833  -4.979   9.123
  232    HG2  ARG  28           HG2      ARG  28  -1.224  -2.719  10.001
  233    HG3  ARG  28           HG3      ARG  28  -2.897  -2.209   9.781
  234    HD2  ARG  28           HD2      ARG  28  -1.996  -4.513  11.541
  235    HD3  ARG  28           HD3      ARG  28  -2.424  -2.906  12.122
  236    HE   ARG  28           HE       ARG  28  -4.580  -3.878  10.599
  237   HH11  ARG  28          HH11      ARG  28  -2.903  -4.573  13.564
  238   HH12  ARG  28          HH12      ARG  28  -4.295  -5.248  14.340
  239   HH21  ARG  28          HH21      ARG  28  -6.383  -4.763  11.626
  240   HH22  ARG  28          HH22      ARG  28  -6.256  -5.355  13.248
  241    H    ALA  29           H        ALA  29  -0.062  -5.152   7.138
  242    HA   ALA  29           HA       ALA  29   2.072  -3.746   8.299
  243    HB1  ALA  29           HB1      ALA  29   2.228  -6.124   7.921
  244    HB2  ALA  29           HB2      ALA  29   3.520  -5.332   7.020
  245    HB3  ALA  29           HB3      ALA  29   2.079  -5.902   6.178
  246    H    PHE  30           H        PHE  30   1.123  -3.950   4.827
  247    HA   PHE  30           HA       PHE  30   3.276  -2.398   3.854
  248    HB2  PHE  30           HB2      PHE  30   0.555  -3.078   2.787
  249    HB3  PHE  30           HB3      PHE  30   1.517  -1.860   1.971
  250    HD1  PHE  30           HD1      PHE  30   2.590  -5.060   3.681
  251    HD2  PHE  30           HD2      PHE  30   2.335  -2.827   0.013
  252    HE1  PHE  30           HE1      PHE  30   3.908  -6.807   2.520
  253    HE2  PHE  30           HE2      PHE  30   3.652  -4.577  -1.134
  254    HZ   PHE  30           HZ       PHE  30   4.447  -6.560   0.108
  255    H    ILE  31           H        ILE  31  -0.116  -1.328   4.335
  256    HA   ILE  31           HA       ILE  31   0.343   1.382   3.892
  257    HB   ILE  31           HB       ILE  31  -1.793   0.017   5.551
  258   HG12  ILE  31          HG12      ILE  31  -1.700   1.143   2.718
  259   HG13  ILE  31          HG13      ILE  31  -1.797  -0.559   3.157
  260   HG21  ILE  31          HG21      ILE  31  -1.550   2.918   4.671
  261   HG22  ILE  31          HG22      ILE  31  -1.624   2.322   6.329
  262   HG23  ILE  31          HG23      ILE  31  -3.034   2.191   5.286
  263   HD11  ILE  31          HD11      ILE  31  -4.010  -0.002   4.314
  264   HD12  ILE  31          HD12      ILE  31  -4.019   0.102   2.552
  265   HD13  ILE  31          HD13      ILE  31  -3.924   1.572   3.519
  266    H    ARG  32           H        ARG  32   0.611  -0.436   6.963
  267    HA   ARG  32           HA       ARG  32   1.001   1.824   8.637
  268    HB2  ARG  32           HB2      ARG  32   0.530  -0.469   9.488
  269    HB3  ARG  32           HB3      ARG  32   2.148  -0.966   8.992
  270    HG2  ARG  32           HG2      ARG  32   3.128   0.749  10.496
  271    HG3  ARG  32           HG3      ARG  32   1.506   1.228  10.997
  272    HD2  ARG  32           HD2      ARG  32   1.120  -1.117  11.796
  273    HD3  ARG  32           HD3      ARG  32   2.802  -1.483  11.414
  274    HE   ARG  32           HE       ARG  32   2.762   0.788  13.074
  275   HH11  ARG  32          HH11      ARG  32   1.994  -2.599  13.203
  276   HH12  ARG  32          HH12      ARG  32   2.322  -2.738  14.896
  277   HH21  ARG  32          HH21      ARG  32   3.184   0.590  15.280
  278   HH22  ARG  32          HH22      ARG  32   2.993  -0.940  16.066
  279    H    SER  33           H        SER  33   3.332  -0.325   7.005
  280    HA   SER  33           HA       SER  33   5.686   1.045   7.788
  281    HB2  SER  33           HB2      SER  33   5.197  -0.611   5.293
  282    HB3  SER  33           HB3      SER  33   6.772  -0.174   5.951
  283    HG   SER  33           HG       SER  33   4.784  -1.874   7.024
  284    H    LEU  34           H        LEU  34   3.378   1.492   5.207
  285    HA   LEU  34           HA       LEU  34   4.772   3.213   3.487
  286    HB2  LEU  34           HB2      LEU  34   2.386   2.063   3.372
  287    HB3  LEU  34           HB3      LEU  34   1.844   3.596   4.028
  288    HG   LEU  34           HG       LEU  34   3.696   3.690   1.682
  289   HD11  LEU  34          HD11      LEU  34   2.078   3.084   0.092
  290   HD12  LEU  34          HD12      LEU  34   0.742   3.272   1.228
  291   HD13  LEU  34          HD13      LEU  34   1.817   1.876   1.355
  292   HD21  LEU  34          HD21      LEU  34   2.847   5.760   2.796
  293   HD22  LEU  34          HD22      LEU  34   1.195   5.245   2.455
  294   HD23  LEU  34          HD23      LEU  34   2.287   5.640   1.129
  295    H    TYR  35           H        TYR  35   2.750   3.895   6.328
  296    HA   TYR  35           HA       TYR  35   2.930   6.724   6.232
  297    HB2  TYR  35           HB2      TYR  35   1.257   5.450   7.587
  298    HB3  TYR  35           HB3      TYR  35   2.554   4.953   8.671
  299    HD1  TYR  35           HD1      TYR  35   0.532   7.812   7.478
  300    HD2  TYR  35           HD2      TYR  35   3.600   6.540  10.210
  301    HE1  TYR  35           HE1      TYR  35   0.312   9.945   8.722
  302    HE2  TYR  35           HE2      TYR  35   3.377   8.675  11.451
  303    HH   TYR  35           HH       TYR  35   1.051  10.508  11.549
  304    H    ASP  36           H        ASP  36   4.853   4.222   7.855
  305    HA   ASP  36           HA       ASP  36   6.584   5.927   9.291
  306    HB2  ASP  36           HB2      ASP  36   6.267   3.394   9.532
  307    HB3  ASP  36           HB3      ASP  36   7.382   3.234   8.178
  308    H    ASP  37           H        ASP  37   6.732   4.698   5.965
  309    HA   ASP  37           HA       ASP  37   8.764   6.716   5.318
  310    HB2  ASP  37           HB2      ASP  37   9.156   3.742   4.909
  311    HB3  ASP  37           HB3      ASP  37  10.109   4.966   4.073
  312    HA   PRO  38           HA       PRO  38   5.432   6.430   2.096
  313    HB2  PRO  38           HB2      PRO  38   6.220   9.232   1.607
  314    HB3  PRO  38           HB3      PRO  38   4.621   8.556   1.958
  315    HG2  PRO  38           HG2      PRO  38   6.023  10.033   3.725
  316    HG3  PRO  38           HG3      PRO  38   4.871   8.777   4.204
  317    HD2  PRO  38           HD2      PRO  38   7.856   8.711   4.236
  318    HD3  PRO  38           HD3      PRO  38   6.694   7.896   5.303
  319    H    SER  39           H        SER  39   8.780   7.176   2.082
  320    HA   SER  39           HA       SER  39   9.295   7.783  -0.599
  321    HB2  SER  39           HB2      SER  39  10.952   7.899   1.278
  322    HB3  SER  39           HB3      SER  39  11.062   6.143   1.236
  323    HG   SER  39           HG       SER  39  11.481   6.585  -1.146
  324    H    GLN  40           H        GLN  40   8.642   4.678   0.960
  325    HA   GLN  40           HA       GLN  40   9.301   3.196  -1.485
  326    HB2  GLN  40           HB2      GLN  40   8.196   2.106   1.114
  327    HB3  GLN  40           HB3      GLN  40   8.992   1.204  -0.170
  328    HG2  GLN  40           HG2      GLN  40  10.286   3.306   1.592
  329    HG3  GLN  40           HG3      GLN  40  10.526   1.570   1.718
  330   HE21  GLN  40          HE21      GLN  40  12.100   4.229   0.623
  331   HE22  GLN  40          HE22      GLN  40  12.956   3.556  -0.679
  332    H    SER  41           H        SER  41   6.682   4.957  -0.542
  333    HA   SER  41           HA       SER  41   4.405   3.460  -0.652
  334    HB2  SER  41           HB2      SER  41   3.310   5.401  -1.759
  335    HB3  SER  41           HB3      SER  41   4.306   5.853  -0.381
  336    HG   SER  41           HG       SER  41   5.776   6.710  -1.707
  337    H    ALA  42           H        ALA  42   6.152   4.639  -3.529
  338    HA   ALA  42           HA       ALA  42   4.441   3.462  -5.447
  339    HB1  ALA  42           HB1      ALA  42   6.090   5.233  -5.977
  340    HB2  ALA  42           HB2      ALA  42   6.282   3.826  -7.024
  341    HB3  ALA  42           HB3      ALA  42   7.399   4.087  -5.684
  342    H    ASN  43           H        ASN  43   7.312   2.288  -3.758
  343    HA   ASN  43           HA       ASN  43   7.583  -0.150  -5.231
  344    HB2  ASN  43           HB2      ASN  43   8.582   0.585  -2.466
  345    HB3  ASN  43           HB3      ASN  43   9.062  -0.849  -3.364
  346   HD21  ASN  43          HD21      ASN  43  11.075   0.851  -2.626
  347   HD22  ASN  43          HD22      ASN  43  11.653   1.727  -3.964
  348    H    LEU  44           H        LEU  44   6.183   0.601  -2.025
  349    HA   LEU  44           HA       LEU  44   5.408  -2.000  -1.322
  350    HB2  LEU  44           HB2      LEU  44   4.013   0.575  -0.636
  351    HB3  LEU  44           HB3      LEU  44   3.802  -0.943   0.201
  352    HG   LEU  44           HG       LEU  44   6.351   0.718   0.082
  353   HD11  LEU  44          HD11      LEU  44   4.587  -0.047   2.421
  354   HD12  LEU  44          HD12      LEU  44   4.577   1.525   1.623
  355   HD13  LEU  44          HD13      LEU  44   6.018   0.981   2.479
  356   HD21  LEU  44          HD21      LEU  44   7.185  -1.008   1.755
  357   HD22  LEU  44          HD22      LEU  44   7.074  -1.566   0.088
  358   HD23  LEU  44          HD23      LEU  44   5.832  -2.027   1.254
  359    H    LEU  45           H        LEU  45   3.655   0.491  -3.172
  360    HA   LEU  45           HA       LEU  45   1.199  -0.897  -3.433
  361    HB2  LEU  45           HB2      LEU  45   1.229   1.422  -3.976
  362    HB3  LEU  45           HB3      LEU  45   2.567   1.216  -5.097
  363    HG   LEU  45           HG       LEU  45   1.103  -0.074  -6.628
  364   HD11  LEU  45          HD11      LEU  45  -0.422  -1.088  -5.010
  365   HD12  LEU  45          HD12      LEU  45  -1.352  -0.141  -6.167
  366   HD13  LEU  45          HD13      LEU  45  -1.040   0.500  -4.553
  367   HD21  LEU  45          HD21      LEU  45  -0.098   2.575  -5.755
  368   HD22  LEU  45          HD22      LEU  45  -0.387   1.784  -7.306
  369   HD23  LEU  45          HD23      LEU  45   1.227   2.369  -6.900
  370    H    ALA  46           H        ALA  46   4.055  -0.729  -5.532
  371    HA   ALA  46           HA       ALA  46   3.151  -2.525  -7.539
  372    HB1  ALA  46           HB1      ALA  46   5.501  -2.683  -8.194
  373    HB2  ALA  46           HB2      ALA  46   6.003  -1.998  -6.648
  374    HB3  ALA  46           HB3      ALA  46   5.109  -1.009  -7.801
  375    H    GLU  47           H        GLU  47   4.943  -2.979  -4.537
  376    HA   GLU  47           HA       GLU  47   5.480  -5.749  -4.775
  377    HB2  GLU  47           HB2      GLU  47   5.310  -3.816  -2.454
  378    HB3  GLU  47           HB3      GLU  47   5.608  -5.541  -2.193
  379    HG2  GLU  47           HG2      GLU  47   7.281  -3.810  -4.044
  380    HG3  GLU  47           HG3      GLU  47   7.704  -4.127  -2.364
  381    H    ALA  48           H        ALA  48   2.756  -3.931  -3.389
  382    HA   ALA  48           HA       ALA  48   1.405  -6.155  -2.256
  383    HB1  ALA  48           HB1      ALA  48   0.869  -3.801  -1.693
  384    HB2  ALA  48           HB2      ALA  48  -0.556  -4.708  -2.192
  385    HB3  ALA  48           HB3      ALA  48   0.208  -3.578  -3.312
  386    H    LYS  49           H        LYS  49   1.403  -4.673  -5.459
  387    HA   LYS  49           HA       LYS  49  -0.736  -6.178  -6.571
  388    HB2  LYS  49           HB2      LYS  49   0.649  -4.084  -7.487
  389    HB3  LYS  49           HB3      LYS  49   1.570  -5.357  -8.288
  390    HG2  LYS  49           HG2      LYS  49  -0.701  -6.285  -9.072
  391    HG3  LYS  49           HG3      LYS  49  -1.384  -4.755  -8.539
  392    HD2  LYS  49           HD2      LYS  49   0.642  -3.775  -9.997
  393    HD3  LYS  49           HD3      LYS  49   0.453  -5.323 -10.824
  394    HE2  LYS  49           HE2      LYS  49  -2.014  -4.805 -11.043
  395    HE3  LYS  49           HE3      LYS  49  -1.668  -3.190 -10.415
  396    HZ1  LYS  49           HZ1      LYS  49  -1.647  -3.121 -12.794
  397    HZ2  LYS  49           HZ2      LYS  49  -0.559  -4.420 -12.883
  398    HZ3  LYS  49           HZ3      LYS  49  -0.050  -2.930 -12.245
  399    H    LYS  50           H        LYS  50   2.729  -6.698  -6.223
  400    HA   LYS  50           HA       LYS  50   2.992  -9.058  -7.762
  401    HB2  LYS  50           HB2      LYS  50   4.847  -7.574  -6.850
  402    HB3  LYS  50           HB3      LYS  50   4.567  -8.320  -5.280
  403    HG2  LYS  50           HG2      LYS  50   5.093 -10.531  -6.182
  404    HG3  LYS  50           HG3      LYS  50   5.239  -9.862  -7.807
  405    HD2  LYS  50           HD2      LYS  50   7.478  -9.999  -7.065
  406    HD3  LYS  50           HD3      LYS  50   7.051  -8.309  -6.802
  407    HE2  LYS  50           HE2      LYS  50   6.394  -9.034  -4.408
  408    HE3  LYS  50           HE3      LYS  50   7.271 -10.524  -4.754
  409    HZ1  LYS  50           HZ1      LYS  50   9.263  -9.424  -4.905
  410    HZ2  LYS  50           HZ2      LYS  50   8.493  -8.511  -3.698
  411    HZ3  LYS  50           HZ3      LYS  50   8.549  -7.930  -5.295
  412    H    LEU  51           H        LEU  51   2.277  -8.445  -4.346
  413    HA   LEU  51           HA       LEU  51   2.140 -11.133  -3.469
  414    HB2  LEU  51           HB2      LEU  51   1.303  -8.470  -2.442
  415    HB3  LEU  51           HB3      LEU  51   0.396  -9.829  -1.794
  416    HG   LEU  51           HG       LEU  51   2.378  -9.200  -0.404
  417   HD11  LEU  51          HD11      LEU  51   1.453 -11.486  -0.379
  418   HD12  LEU  51          HD12      LEU  51   3.188 -11.471  -0.072
  419   HD13  LEU  51          HD13      LEU  51   2.580 -11.952  -1.652
  420   HD21  LEU  51          HD21      LEU  51   4.650  -9.865  -1.232
  421   HD22  LEU  51          HD22      LEU  51   3.965  -8.503  -2.114
  422   HD23  LEU  51          HD23      LEU  51   3.963 -10.112  -2.836
  423    H    ASN  52           H        ASN  52  -0.352  -8.876  -4.618
  424    HA   ASN  52           HA       ASN  52  -2.585 -10.576  -4.406
  425    HB2  ASN  52           HB2      ASN  52  -3.077  -8.320  -4.775
  426    HB3  ASN  52           HB3      ASN  52  -1.913  -8.169  -6.082
  427   HD21  ASN  52          HD21      ASN  52  -5.196  -9.208  -5.285
  428   HD22  ASN  52          HD22      ASN  52  -5.709  -9.413  -6.891
  429    H    ASP  53           H        ASP  53  -0.406  -9.953  -7.155
  430    HA   ASP  53           HA       ASP  53  -1.626 -11.685  -9.007
  431    HB2  ASP  53           HB2      ASP  53   0.078  -9.967  -9.557
  432    HB3  ASP  53           HB3      ASP  53   1.312 -10.960  -8.812
  433    H    ALA  54           H        ALA  54   0.850 -12.276  -6.548
  434    HA   ALA  54           HA       ALA  54   1.395 -14.945  -7.397
  435    HB1  ALA  54           HB1      ALA  54   3.070 -13.666  -6.181
  436    HB2  ALA  54           HB2      ALA  54   2.649 -15.108  -5.258
  437    HB3  ALA  54           HB3      ALA  54   2.000 -13.537  -4.785
  438    H    GLN  55           H        GLN  55  -0.399 -13.616  -4.603
  439    HA   GLN  55           HA       GLN  55  -1.259 -16.118  -3.570
  440    HB2  GLN  55           HB2      GLN  55  -2.413 -13.335  -3.198
  441    HB3  GLN  55           HB3      GLN  55  -2.902 -14.755  -2.276
  442    HG2  GLN  55           HG2      GLN  55  -0.773 -14.962  -1.248
  443    HG3  GLN  55           HG3      GLN  55  -0.008 -13.886  -2.418
  444   HE21  GLN  55          HE21      GLN  55  -1.346 -11.618  -2.480
  445   HE22  GLN  55          HE22      GLN  55  -1.604 -10.936  -0.948
  446    H    ALA  56           H        ALA  56  -2.553 -14.040  -6.069
  447    HA   ALA  56           HA       ALA  56  -5.216 -14.810  -6.133
  448    HB1  ALA  56           HB1      ALA  56  -3.319 -13.980  -8.320
  449    HB2  ALA  56           HB2      ALA  56  -4.586 -13.030  -7.542
  450    HB3  ALA  56           HB3      ALA  56  -5.016 -14.334  -8.648
  451    HA   PRO  57           HA       PRO  57  -5.119 -19.070  -7.413
  452    HB2  PRO  57           HB2      PRO  57  -7.683 -19.351  -8.289
  453    HB3  PRO  57           HB3      PRO  57  -7.272 -19.173  -6.573
  454    HG2  PRO  57           HG2      PRO  57  -8.313 -17.142  -8.487
  455    HG3  PRO  57           HG3      PRO  57  -8.724 -17.404  -6.784
  456    HD2  PRO  57           HD2      PRO  57  -7.002 -15.441  -7.652
  457    HD3  PRO  57           HD3      PRO  57  -6.947 -16.159  -6.026
  458    H    LYS  58           H        LYS  58  -5.107 -20.424  -9.267
  459    HA   LYS  58           HA       LYS  58  -4.896 -18.991 -11.848
  460    HB2  LYS  58           HB2      LYS  58  -3.701 -21.619 -10.918
  461    HB3  LYS  58           HB3      LYS  58  -3.553 -20.983 -12.556
  462    HG2  LYS  58           HG2      LYS  58  -2.482 -18.926 -11.631
  463    HG3  LYS  58           HG3      LYS  58  -2.564 -19.636 -10.018
  464    HD2  LYS  58           HD2      LYS  58  -1.185 -21.554 -10.822
  465    HD3  LYS  58           HD3      LYS  58  -1.047 -20.768 -12.395
  466    HE2  LYS  58           HE2      LYS  58   0.240 -18.982 -11.522
  467    HE3  LYS  58           HE3      LYS  58  -0.229 -19.339  -9.859
  468    HZ1  LYS  58           HZ1      LYS  58   1.059 -21.322  -9.891
  469    HZ2  LYS  58           HZ2      LYS  58   2.052 -20.071 -10.463
  470    HZ3  LYS  58           HZ3      LYS  58   1.368 -21.178 -11.555
  Start of MODEL    8
    1    H    VAL   1           H        VAL   1   2.150  19.800   7.736
    2    HA   VAL   1           HA       VAL   1   4.841  20.121   6.529
    3    HB   VAL   1           HB       VAL   1   3.145  17.606   6.803
    4   HG11  VAL   1          HG11      VAL   1   5.778  18.194   5.419
    5   HG12  VAL   1          HG12      VAL   1   4.323  17.478   4.727
    6   HG13  VAL   1          HG13      VAL   1   5.298  16.559   5.869
    7   HG21  VAL   1          HG21      VAL   1   4.182  18.036   8.932
    8   HG22  VAL   1          HG22      VAL   1   5.703  18.505   8.172
    9   HG23  VAL   1          HG23      VAL   1   5.179  16.821   8.135
   10    H    ASP   2           H        ASP   2   4.779  19.808   4.228
   11    HA   ASP   2           HA       ASP   2   2.670  21.139   2.921
   12    HB2  ASP   2           HB2      ASP   2   5.033  20.981   2.107
   13    HB3  ASP   2           HB3      ASP   2   4.724  19.304   1.663
   14    H    ASN   3           H        ASN   3   1.147  20.390   1.403
   15    HA   ASN   3           HA       ASN   3  -0.432  18.213   2.142
   16    HB2  ASN   3           HB2      ASN   3  -0.259  19.581  -0.558
   17    HB3  ASN   3           HB3      ASN   3  -1.575  18.536  -0.032
   18   HD21  ASN   3          HD21      ASN   3  -1.188  21.659  -0.553
   19   HD22  ASN   3          HD22      ASN   3  -2.005  22.338   0.772
   20    H    LYS   4           H        LYS   4   2.403  18.292   0.157
   21    HA   LYS   4           HA       LYS   4   2.176  16.140  -1.554
   22    HB2  LYS   4           HB2      LYS   4   4.107  17.495  -1.698
   23    HB3  LYS   4           HB3      LYS   4   4.509  17.266  -0.003
   24    HG2  LYS   4           HG2      LYS   4   4.427  14.750  -1.574
   25    HG3  LYS   4           HG3      LYS   4   5.663  15.887  -2.095
   26    HD2  LYS   4           HD2      LYS   4   6.867  15.709  -0.148
   27    HD3  LYS   4           HD3      LYS   4   5.432  15.491   0.850
   28    HE2  LYS   4           HE2      LYS   4   6.749  13.423   0.810
   29    HE3  LYS   4           HE3      LYS   4   5.205  13.169  -0.006
   30    HZ1  LYS   4           HZ1      LYS   4   6.564  13.865  -2.092
   31    HZ2  LYS   4           HZ2      LYS   4   6.671  12.275  -1.507
   32    HZ3  LYS   4           HZ3      LYS   4   7.903  13.397  -1.156
   33    H    PHE   5           H        PHE   5   2.956  16.045   1.916
   34    HA   PHE   5           HA       PHE   5   3.682  13.334   2.084
   35    HB2  PHE   5           HB2      PHE   5   3.419  15.471   3.872
   36    HB3  PHE   5           HB3      PHE   5   2.271  14.276   4.466
   37    HD1  PHE   5           HD1      PHE   5   3.033  12.010   5.129
   38    HD2  PHE   5           HD2      PHE   5   5.810  15.037   3.861
   39    HE1  PHE   5           HE1      PHE   5   4.908  10.680   6.057
   40    HE2  PHE   5           HE2      PHE   5   7.682  13.709   4.787
   41    HZ   PHE   5           HZ       PHE   5   7.233  11.532   5.892
   42    H    ASN   6           H        ASN   6   0.547  14.767   3.038
   43    HA   ASN   6           HA       ASN   6  -0.798  12.308   3.352
   44    HB2  ASN   6           HB2      ASN   6  -1.909  15.063   2.796
   45    HB3  ASN   6           HB3      ASN   6  -2.864  13.682   3.323
   46   HD21  ASN   6          HD21      ASN   6  -1.873  16.407   4.635
   47   HD22  ASN   6          HD22      ASN   6  -1.377  15.896   6.177
   48    H    LYS   7           H        LYS   7  -0.414  14.398   0.522
   49    HA   LYS   7           HA       LYS   7  -2.436  13.327  -1.101
   50    HB2  LYS   7           HB2      LYS   7  -1.117  15.403  -1.570
   51    HB3  LYS   7           HB3      LYS   7   0.250  14.388  -2.019
   52    HG2  LYS   7           HG2      LYS   7  -0.810  14.893  -4.079
   53    HG3  LYS   7           HG3      LYS   7  -1.357  13.262  -3.704
   54    HD2  LYS   7           HD2      LYS   7  -3.472  14.125  -2.826
   55    HD3  LYS   7           HD3      LYS   7  -2.919  15.785  -3.045
   56    HE2  LYS   7           HE2      LYS   7  -3.210  13.790  -5.313
   57    HE3  LYS   7           HE3      LYS   7  -4.444  14.972  -4.877
   58    HZ1  LYS   7           HZ1      LYS   7  -1.704  15.484  -5.876
   59    HZ2  LYS   7           HZ2      LYS   7  -2.638  16.691  -5.137
   60    HZ3  LYS   7           HZ3      LYS   7  -3.179  15.958  -6.571
   61    H    GLU   8           H        GLU   8   1.054  12.489  -1.162
   62    HA   GLU   8           HA       GLU   8   0.785  10.327  -2.974
   63    HB2  GLU   8           HB2      GLU   8   2.908  10.867  -0.876
   64    HB3  GLU   8           HB3      GLU   8   3.044   9.661  -2.155
   65    HG2  GLU   8           HG2      GLU   8   2.790  11.454  -3.859
   66    HG3  GLU   8           HG3      GLU   8   2.693  12.652  -2.575
   67    H    MET   9           H        MET   9   0.805  10.481   0.558
   68    HA   MET   9           HA       MET   9   0.795   7.724   1.116
   69    HB2  MET   9           HB2      MET   9   1.235   9.533   2.759
   70    HB3  MET   9           HB3      MET   9  -0.466   9.969   2.713
   71    HG2  MET   9           HG2      MET   9  -0.758   8.488   4.400
   72    HG3  MET   9           HG3      MET   9  -0.518   7.219   3.205
   73    HE1  MET   9           HE1      MET   9   2.362   9.111   6.124
   74    HE2  MET   9           HE2      MET   9   1.129   9.888   5.120
   75    HE3  MET   9           HE3      MET   9   2.747   9.607   4.480
   76    H    ARG  10           H        ARG  10  -1.918  10.022   0.793
   77    HA   ARG  10           HA       ARG  10  -4.022   8.241   1.308
   78    HB2  ARG  10           HB2      ARG  10  -4.240  10.717   1.180
   79    HB3  ARG  10           HB3      ARG  10  -4.047  10.623  -0.570
   80    HG2  ARG  10           HG2      ARG  10  -6.065   9.145  -0.677
   81    HG3  ARG  10           HG3      ARG  10  -6.271   9.342   1.063
   82    HD2  ARG  10           HD2      ARG  10  -6.273  11.612  -0.955
   83    HD3  ARG  10           HD3      ARG  10  -7.717  10.891  -0.246
   84    HE   ARG  10           HE       ARG  10  -6.026  11.708   1.853
   85   HH11  ARG  10          HH11      ARG  10  -7.926  13.081  -0.714
   86   HH12  ARG  10          HH12      ARG  10  -8.232  14.560   0.133
   87   HH21  ARG  10          HH21      ARG  10  -6.435  13.642   2.941
   88   HH22  ARG  10          HH22      ARG  10  -7.391  14.875   2.192
   89    H    ASN  11           H        ASN  11  -2.331   8.990  -1.724
   90    HA   ASN  11           HA       ASN  11  -4.024   7.621  -3.501
   91    HB2  ASN  11           HB2      ASN  11  -1.031   8.071  -3.670
   92    HB3  ASN  11           HB3      ASN  11  -2.045   7.532  -5.004
   93   HD21  ASN  11          HD21      ASN  11  -0.521  10.035  -4.967
   94   HD22  ASN  11          HD22      ASN  11  -1.648  11.301  -5.063
   95    H    ALA  12           H        ALA  12  -0.909   6.419  -2.144
   96    HA   ALA  12           HA       ALA  12  -1.353   3.759  -3.084
   97    HB1  ALA  12           HB1      ALA  12   0.896   4.815  -2.502
   98    HB2  ALA  12           HB2      ALA  12   0.651   3.153  -1.968
   99    HB3  ALA  12           HB3      ALA  12   0.504   4.485  -0.815
  100    H    TYR  13           H        TYR  13  -2.209   5.410  -0.099
  101    HA   TYR  13           HA       TYR  13  -2.670   3.267   1.633
  102    HB2  TYR  13           HB2      TYR  13  -2.789   5.569   2.395
  103    HB3  TYR  13           HB3      TYR  13  -4.155   5.898   1.338
  104    HD1  TYR  13           HD1      TYR  13  -6.398   4.930   1.836
  105    HD2  TYR  13           HD2      TYR  13  -3.071   4.398   4.503
  106    HE1  TYR  13           HE1      TYR  13  -7.951   4.227   3.631
  107    HE2  TYR  13           HE2      TYR  13  -4.632   3.698   6.301
  108    HH   TYR  13           HH       TYR  13  -7.388   2.579   6.007
  109    H    TRP  14           H        TRP  14  -5.148   4.909  -0.342
  110    HA   TRP  14           HA       TRP  14  -7.153   2.951   0.099
  111    HB2  TRP  14           HB2      TRP  14  -7.553   5.326  -0.546
  112    HB3  TRP  14           HB3      TRP  14  -6.946   4.948  -2.151
  113    HD1  TRP  14           HD1      TRP  14  -9.736   3.792   0.263
  114    HE1  TRP  14           HE1      TRP  14 -11.757   3.025  -1.141
  115    HE3  TRP  14           HE3      TRP  14  -7.798   4.308  -4.439
  116    HZ2  TRP  14           HZ2      TRP  14 -12.462   2.678  -3.888
  117    HZ3  TRP  14           HZ3      TRP  14  -9.168   3.753  -6.429
  118    HH2  TRP  14           HH2      TRP  14 -11.495   2.939  -6.160
  119    H    GLU  15           H        GLU  15  -4.873   3.467  -2.598
  120    HA   GLU  15           HA       GLU  15  -5.933   1.558  -4.361
  121    HB2  GLU  15           HB2      GLU  15  -4.180   3.306  -4.886
  122    HB3  GLU  15           HB3      GLU  15  -3.001   2.259  -4.104
  123    HG2  GLU  15           HG2      GLU  15  -2.934   1.811  -6.485
  124    HG3  GLU  15           HG3      GLU  15  -3.656   0.419  -5.689
  125    H    ILE  16           H        ILE  16  -3.460   1.168  -1.806
  126    HA   ILE  16           HA       ILE  16  -2.893  -1.566  -2.353
  127    HB   ILE  16           HB       ILE  16  -2.586   0.103   0.159
  128   HG12  ILE  16          HG12      ILE  16  -0.469  -1.053  -1.681
  129   HG13  ILE  16          HG13      ILE  16  -1.174   0.538  -1.946
  130   HG21  ILE  16          HG21      ILE  16  -1.733  -2.765  -0.372
  131   HG22  ILE  16          HG22      ILE  16  -2.810  -2.195   0.905
  132   HG23  ILE  16          HG23      ILE  16  -1.099  -1.781   0.947
  133   HD11  ILE  16          HD11      ILE  16  -0.189   1.444  -0.044
  134   HD12  ILE  16          HD12      ILE  16   1.041   0.274  -0.518
  135   HD13  ILE  16          HD13      ILE  16  -0.090  -0.113   0.778
  136    H    ALA  17           H        ALA  17  -5.111  -0.007  -0.045
  137    HA   ALA  17           HA       ALA  17  -6.138  -2.327   1.155
  138    HB1  ALA  17           HB1      ALA  17  -6.491  -0.035   2.020
  139    HB2  ALA  17           HB2      ALA  17  -8.008  -0.922   1.863
  140    HB3  ALA  17           HB3      ALA  17  -7.570   0.298   0.665
  141    H    LEU  18           H        LEU  18  -6.813  -0.877  -1.941
  142    HA   LEU  18           HA       LEU  18  -9.350  -1.924  -2.495
  143    HB2  LEU  18           HB2      LEU  18  -8.109  -0.202  -3.852
  144    HB3  LEU  18           HB3      LEU  18  -7.126  -1.508  -4.505
  145    HG   LEU  18           HG       LEU  18  -9.266  -2.622  -5.286
  146   HD11  LEU  18          HD11      LEU  18 -11.205  -0.928  -5.534
  147   HD12  LEU  18          HD12      LEU  18 -10.398  -0.011  -4.263
  148   HD13  LEU  18          HD13      LEU  18 -10.964  -1.651  -3.944
  149   HD21  LEU  18          HD21      LEU  18  -8.674   0.161  -6.350
  150   HD22  LEU  18          HD22      LEU  18  -9.561  -1.093  -7.217
  151   HD23  LEU  18          HD23      LEU  18  -7.856  -1.325  -6.832
  152    H    LEU  19           H        LEU  19  -6.160  -3.476  -2.689
  153    HA   LEU  19           HA       LEU  19  -6.826  -5.662  -4.300
  154    HB2  LEU  19           HB2      LEU  19  -4.888  -5.574  -1.996
  155    HB3  LEU  19           HB3      LEU  19  -4.974  -6.870  -3.175
  156    HG   LEU  19           HG       LEU  19  -3.731  -4.191  -3.405
  157   HD11  LEU  19          HD11      LEU  19  -3.362  -6.474  -5.307
  158   HD12  LEU  19          HD12      LEU  19  -2.790  -6.646  -3.649
  159   HD13  LEU  19          HD13      LEU  19  -2.167  -5.349  -4.665
  160   HD21  LEU  19          HD21      LEU  19  -4.106  -4.046  -5.870
  161   HD22  LEU  19          HD22      LEU  19  -5.579  -3.734  -4.952
  162   HD23  LEU  19          HD23      LEU  19  -5.338  -5.299  -5.736
  163    HA   PRO  20           HA       PRO  20  -9.577  -7.883  -1.605
  164    HB2  PRO  20           HB2      PRO  20 -10.190  -9.917  -3.231
  165    HB3  PRO  20           HB3      PRO  20 -10.611  -8.242  -3.639
  166    HG2  PRO  20           HG2      PRO  20  -8.440  -9.959  -4.715
  167    HG3  PRO  20           HG3      PRO  20  -9.412  -8.721  -5.526
  168    HD2  PRO  20           HD2      PRO  20  -6.798  -8.394  -4.460
  169    HD3  PRO  20           HD3      PRO  20  -7.866  -7.111  -5.062
  170    H    ASN  21           H        ASN  21  -7.044  -9.965  -3.088
  171    HA   ASN  21           HA       ASN  21  -7.444 -12.005  -1.078
  172    HB2  ASN  21           HB2      ASN  21  -5.711 -13.239  -2.394
  173    HB3  ASN  21           HB3      ASN  21  -7.117 -12.734  -3.322
  174   HD21  ASN  21          HD21      ASN  21  -5.329 -13.115  -5.094
  175   HD22  ASN  21          HD22      ASN  21  -4.410 -11.743  -5.507
  176    H    LEU  22           H        LEU  22  -5.563  -9.203  -0.934
  177    HA   LEU  22           HA       LEU  22  -3.172 -10.308   0.196
  178    HB2  LEU  22           HB2      LEU  22  -4.376  -7.592   0.782
  179    HB3  LEU  22           HB3      LEU  22  -2.742  -8.118   1.185
  180    HG   LEU  22           HG       LEU  22  -3.818  -7.946  -1.624
  181   HD11  LEU  22          HD11      LEU  22  -3.568  -5.725  -0.398
  182   HD12  LEU  22          HD12      LEU  22  -2.511  -5.886  -1.796
  183   HD13  LEU  22          HD13      LEU  22  -1.864  -6.114  -0.178
  184   HD21  LEU  22          HD21      LEU  22  -1.352  -8.093  -2.141
  185   HD22  LEU  22          HD22      LEU  22  -2.020  -9.563  -1.440
  186   HD23  LEU  22          HD23      LEU  22  -1.075  -8.456  -0.438
  187    H    ASN  23           H        ASN  23  -2.778 -11.070   2.165
  188    HA   ASN  23           HA       ASN  23  -4.827 -11.801   3.963
  189    HB2  ASN  23           HB2      ASN  23  -1.948 -11.342   4.772
  190    HB3  ASN  23           HB3      ASN  23  -3.111 -12.417   5.532
  191   HD21  ASN  23          HD21      ASN  23  -4.095 -13.295   2.758
  192   HD22  ASN  23          HD22      ASN  23  -2.884 -14.351   2.214
  193    H    ASN  24           H        ASN  24  -5.234 -11.065   6.171
  194    HA   ASN  24           HA       ASN  24  -5.865  -8.349   6.384
  195    HB2  ASN  24           HB2      ASN  24  -6.841 -10.212   7.755
  196    HB3  ASN  24           HB3      ASN  24  -5.352 -10.238   8.696
  197   HD21  ASN  24          HD21      ASN  24  -8.021  -8.026   7.727
  198   HD22  ASN  24          HD22      ASN  24  -7.916  -7.058   9.119
  199    H    GLN  25           H        GLN  25  -3.044 -10.123   7.570
  200    HA   GLN  25           HA       GLN  25  -1.839  -7.914   8.934
  201    HB2  GLN  25           HB2      GLN  25  -0.693 -10.531   7.917
  202    HB3  GLN  25           HB3      GLN  25   0.202  -9.378   8.907
  203    HG2  GLN  25           HG2      GLN  25  -1.450  -9.593  10.705
  204    HG3  GLN  25           HG3      GLN  25  -2.417 -10.687   9.719
  205   HE21  GLN  25          HE21      GLN  25  -1.181 -11.315  12.338
  206   HE22  GLN  25          HE22      GLN  25  -0.110 -12.602  12.062
  207    H    GLN  26           H        GLN  26  -1.463  -9.355   5.703
  208    HA   GLN  26           HA       GLN  26   0.750  -7.838   4.855
  209    HB2  GLN  26           HB2      GLN  26  -1.501  -9.140   3.317
  210    HB3  GLN  26           HB3      GLN  26  -0.094  -8.410   2.542
  211    HG2  GLN  26           HG2      GLN  26   1.405  -9.909   3.782
  212    HG3  GLN  26           HG3      GLN  26   0.036 -10.613   4.632
  213   HE21  GLN  26          HE21      GLN  26  -1.489 -10.367   1.862
  214   HE22  GLN  26          HE22      GLN  26  -0.930 -11.738   1.029
  215    H    LYS  27           H        LYS  27  -2.747  -7.136   4.574
  216    HA   LYS  27           HA       LYS  27  -2.518  -4.806   2.985
  217    HB2  LYS  27           HB2      LYS  27  -4.591  -5.594   5.053
  218    HB3  LYS  27           HB3      LYS  27  -4.749  -4.196   3.989
  219    HG2  LYS  27           HG2      LYS  27  -4.671  -5.636   2.016
  220    HG3  LYS  27           HG3      LYS  27  -4.378  -7.051   3.025
  221    HD2  LYS  27           HD2      LYS  27  -6.706  -7.130   2.579
  222    HD3  LYS  27           HD3      LYS  27  -6.591  -6.465   4.206
  223    HE2  LYS  27           HE2      LYS  27  -7.811  -4.705   3.491
  224    HE3  LYS  27           HE3      LYS  27  -6.442  -4.226   2.492
  225    HZ1  LYS  27           HZ1      LYS  27  -8.162  -4.442   0.979
  226    HZ2  LYS  27           HZ2      LYS  27  -8.815  -5.810   1.743
  227    HZ3  LYS  27           HZ3      LYS  27  -7.376  -5.944   0.848
  228    H    ARG  28           H        ARG  28  -2.880  -5.144   6.500
  229    HA   ARG  28           HA       ARG  28  -2.543  -2.425   7.166
  230    HB2  ARG  28           HB2      ARG  28  -2.038  -4.950   8.765
  231    HB3  ARG  28           HB3      ARG  28  -2.012  -3.327   9.454
  232    HG2  ARG  28           HG2      ARG  28  -4.348  -2.969   8.737
  233    HG3  ARG  28           HG3      ARG  28  -4.384  -4.582   8.024
  234    HD2  ARG  28           HD2      ARG  28  -3.850  -4.019  10.955
  235    HD3  ARG  28           HD3      ARG  28  -5.421  -4.484  10.306
  236    HE   ARG  28           HE       ARG  28  -3.796  -6.468   9.403
  237   HH11  ARG  28          HH11      ARG  28  -4.318  -5.063  12.545
  238   HH12  ARG  28          HH12      ARG  28  -3.936  -6.520  13.397
  239   HH21  ARG  28          HH21      ARG  28  -3.309  -8.355  10.534
  240   HH22  ARG  28          HH22      ARG  28  -3.367  -8.373  12.265
  241    H    ALA  29           H        ALA  29  -0.211  -5.027   6.667
  242    HA   ALA  29           HA       ALA  29   2.053  -3.835   7.815
  243    HB1  ALA  29           HB1      ALA  29   3.346  -5.378   6.345
  244    HB2  ALA  29           HB2      ALA  29   1.846  -5.789   5.515
  245    HB3  ALA  29           HB3      ALA  29   2.043  -6.179   7.223
  246    H    PHE  30           H        PHE  30   1.011  -3.763   4.356
  247    HA   PHE  30           HA       PHE  30   3.160  -2.171   3.462
  248    HB2  PHE  30           HB2      PHE  30   0.372  -2.610   2.402
  249    HB3  PHE  30           HB3      PHE  30   1.499  -1.518   1.596
  250    HD1  PHE  30           HD1      PHE  30   3.988  -2.555   1.375
  251    HD2  PHE  30           HD2      PHE  30   0.354  -4.835   1.631
  252    HE1  PHE  30           HE1      PHE  30   5.118  -4.469   0.292
  253    HE2  PHE  30           HE2      PHE  30   1.489  -6.753   0.545
  254    HZ   PHE  30           HZ       PHE  30   3.875  -6.568  -0.128
  255    H    ILE  31           H        ILE  31  -0.146  -1.120   4.353
  256    HA   ILE  31           HA       ILE  31   0.305   1.625   4.027
  257    HB   ILE  31           HB       ILE  31  -1.686   0.139   5.760
  258   HG12  ILE  31          HG12      ILE  31  -1.863   1.587   3.083
  259   HG13  ILE  31          HG13      ILE  31  -1.904  -0.156   3.313
  260   HG21  ILE  31          HG21      ILE  31  -1.397   2.333   6.768
  261   HG22  ILE  31          HG22      ILE  31  -2.889   2.360   5.839
  262   HG23  ILE  31          HG23      ILE  31  -1.436   3.115   5.188
  263   HD11  ILE  31          HD11      ILE  31  -4.123  -0.109   3.704
  264   HD12  ILE  31          HD12      ILE  31  -4.108   1.595   3.247
  265   HD13  ILE  31          HD13      ILE  31  -3.945   1.131   4.943
  266    H    ARG  32           H        ARG  32   1.021  -0.506   6.769
  267    HA   ARG  32           HA       ARG  32   1.594   1.554   8.663
  268    HB2  ARG  32           HB2      ARG  32   1.288  -0.863   9.257
  269    HB3  ARG  32           HB3      ARG  32   2.840  -1.211   8.497
  270    HG2  ARG  32           HG2      ARG  32   3.950   0.364  10.067
  271    HG3  ARG  32           HG3      ARG  32   2.395   0.679  10.836
  272    HD2  ARG  32           HD2      ARG  32   2.220  -1.763  11.369
  273    HD3  ARG  32           HD3      ARG  32   3.842  -1.986  10.715
  274    HE   ARG  32           HE       ARG  32   3.974   0.052  12.641
  275   HH11  ARG  32          HH11      ARG  32   3.296  -3.353  12.453
  276   HH12  ARG  32          HH12      ARG  32   3.854  -3.681  14.058
  277   HH21  ARG  32          HH21      ARG  32   4.698  -0.395  14.731
  278   HH22  ARG  32          HH22      ARG  32   4.643  -2.014  15.341
  279    H    SER  33           H        SER  33   3.544  -0.240   6.320
  280    HA   SER  33           HA       SER  33   6.056   0.929   6.879
  281    HB2  SER  33           HB2      SER  33   5.659  -1.134   5.483
  282    HB3  SER  33           HB3      SER  33   5.103  -0.083   4.187
  283    HG   SER  33           HG       SER  33   7.658  -0.146   5.424
  284    H    LEU  34           H        LEU  34   3.311   1.993   4.958
  285    HA   LEU  34           HA       LEU  34   4.445   3.982   3.365
  286    HB2  LEU  34           HB2      LEU  34   1.818   3.205   4.139
  287    HB3  LEU  34           HB3      LEU  34   1.940   4.918   4.466
  288    HG   LEU  34           HG       LEU  34   1.084   4.608   2.237
  289   HD11  LEU  34          HD11      LEU  34   2.532   6.033   1.048
  290   HD12  LEU  34          HD12      LEU  34   3.974   5.360   1.804
  291   HD13  LEU  34          HD13      LEU  34   2.893   6.397   2.734
  292   HD21  LEU  34          HD21      LEU  34   3.602   3.123   1.483
  293   HD22  LEU  34          HD22      LEU  34   2.095   3.249   0.583
  294   HD23  LEU  34          HD23      LEU  34   2.163   2.271   2.053
  295    H    TYR  35           H        TYR  35   3.102   4.261   6.647
  296    HA   TYR  35           HA       TYR  35   3.789   6.968   7.089
  297    HB2  TYR  35           HB2      TYR  35   2.138   5.671   8.445
  298    HB3  TYR  35           HB3      TYR  35   3.473   4.764   9.152
  299    HD1  TYR  35           HD1      TYR  35   1.929   8.132   8.859
  300    HD2  TYR  35           HD2      TYR  35   4.903   5.742  10.845
  301    HE1  TYR  35           HE1      TYR  35   2.272   9.938  10.524
  302    HE2  TYR  35           HE2      TYR  35   5.243   7.551  12.506
  303    HH   TYR  35           HH       TYR  35   3.419   9.673  13.310
  304    H    ASP  36           H        ASP  36   5.503   3.922   7.691
  305    HA   ASP  36           HA       ASP  36   7.657   4.916   9.194
  306    HB2  ASP  36           HB2      ASP  36   7.131   2.493   8.821
  307    HB3  ASP  36           HB3      ASP  36   7.780   2.648   7.190
  308    H    ASP  37           H        ASP  37   7.176   4.787   5.675
  309    HA   ASP  37           HA       ASP  37   9.036   6.929   5.257
  310    HB2  ASP  37           HB2      ASP  37  10.169   4.338   5.297
  311    HB3  ASP  37           HB3      ASP  37  10.073   4.786   3.600
  312    HA   PRO  38           HA       PRO  38   5.834   6.851   1.981
  313    HB2  PRO  38           HB2      PRO  38   6.319   9.429   1.103
  314    HB3  PRO  38           HB3      PRO  38   5.238   9.024   2.449
  315    HG2  PRO  38           HG2      PRO  38   8.058   9.981   2.510
  316    HG3  PRO  38           HG3      PRO  38   6.691  10.419   3.547
  317    HD2  PRO  38           HD2      PRO  38   8.605   8.695   4.372
  318    HD3  PRO  38           HD3      PRO  38   6.910   8.521   4.877
  319    H    SER  39           H        SER  39   9.217   7.380   1.904
  320    HA   SER  39           HA       SER  39   9.776   7.801  -0.800
  321    HB2  SER  39           HB2      SER  39  11.434   6.128   1.100
  322    HB3  SER  39           HB3      SER  39  11.998   7.024  -0.307
  323    HG   SER  39           HG       SER  39  11.533   7.868   2.238
  324    H    GLN  40           H        GLN  40   8.960   4.834   0.949
  325    HA   GLN  40           HA       GLN  40   9.495   3.171  -1.402
  326    HB2  GLN  40           HB2      GLN  40   8.430   2.355   1.315
  327    HB3  GLN  40           HB3      GLN  40   9.056   1.289   0.067
  328    HG2  GLN  40           HG2      GLN  40  10.647   3.404   1.540
  329    HG3  GLN  40           HG3      GLN  40  10.732   1.674   1.835
  330   HE21  GLN  40          HE21      GLN  40  12.404   4.084   0.301
  331   HE22  GLN  40          HE22      GLN  40  13.126   3.181  -0.944
  332    H    SER  41           H        SER  41   6.950   5.073  -0.353
  333    HA   SER  41           HA       SER  41   4.639   3.600  -0.463
  334    HB2  SER  41           HB2      SER  41   4.686   6.034  -0.079
  335    HB3  SER  41           HB3      SER  41   5.050   6.294  -1.784
  336    HG   SER  41           HG       SER  41   2.958   4.704  -1.699
  337    H    ALA  42           H        ALA  42   6.611   4.608  -3.225
  338    HA   ALA  42           HA       ALA  42   4.796   3.725  -5.242
  339    HB1  ALA  42           HB1      ALA  42   7.809   4.070  -5.352
  340    HB2  ALA  42           HB2      ALA  42   6.614   5.313  -5.722
  341    HB3  ALA  42           HB3      ALA  42   6.746   3.885  -6.747
  342    H    ASN  43           H        ASN  43   7.622   2.253  -3.663
  343    HA   ASN  43           HA       ASN  43   7.562  -0.208  -5.098
  344    HB2  ASN  43           HB2      ASN  43   8.709   0.383  -2.355
  345    HB3  ASN  43           HB3      ASN  43   9.066  -1.034  -3.335
  346   HD21  ASN  43          HD21      ASN  43  11.105   0.742  -2.472
  347   HD22  ASN  43          HD22      ASN  43  11.744   1.540  -3.831
  348    H    LEU  44           H        LEU  44   6.375   0.718  -1.866
  349    HA   LEU  44           HA       LEU  44   5.409  -1.753  -1.007
  350    HB2  LEU  44           HB2      LEU  44   4.248   0.970  -0.460
  351    HB3  LEU  44           HB3      LEU  44   3.943  -0.464   0.493
  352    HG   LEU  44           HG       LEU  44   6.729   0.698   0.092
  353   HD11  LEU  44          HD11      LEU  44   6.350   1.399   2.568
  354   HD12  LEU  44          HD12      LEU  44   4.635   1.276   2.182
  355   HD13  LEU  44          HD13      LEU  44   5.661   2.406   1.298
  356   HD21  LEU  44          HD21      LEU  44   7.286  -0.671   2.051
  357   HD22  LEU  44          HD22      LEU  44   6.660  -1.679   0.748
  358   HD23  LEU  44          HD23      LEU  44   5.628  -1.269   2.119
  359    H    LEU  45           H        LEU  45   3.755   0.770  -2.906
  360    HA   LEU  45           HA       LEU  45   1.213  -0.463  -3.047
  361    HB2  LEU  45           HB2      LEU  45   1.404   1.843  -3.651
  362    HB3  LEU  45           HB3      LEU  45   2.656   1.499  -4.835
  363    HG   LEU  45           HG       LEU  45   1.011   0.282  -6.235
  364   HD11  LEU  45          HD11      LEU  45  -1.380   0.344  -5.658
  365   HD12  LEU  45          HD12      LEU  45  -1.004   1.148  -4.136
  366   HD13  LEU  45          HD13      LEU  45  -0.471  -0.509  -4.415
  367   HD21  LEU  45          HD21      LEU  45  -0.329   2.229  -6.925
  368   HD22  LEU  45          HD22      LEU  45   1.326   2.716  -6.566
  369   HD23  LEU  45          HD23      LEU  45   0.041   3.038  -5.402
  370    H    ALA  46           H        ALA  46   3.957  -0.477  -5.289
  371    HA   ALA  46           HA       ALA  46   2.905  -2.274  -7.214
  372    HB1  ALA  46           HB1      ALA  46   5.211  -2.554  -7.955
  373    HB2  ALA  46           HB2      ALA  46   5.812  -1.910  -6.425
  374    HB3  ALA  46           HB3      ALA  46   4.939  -0.861  -7.544
  375    H    GLU  47           H        GLU  47   4.711  -2.765  -4.242
  376    HA   GLU  47           HA       GLU  47   5.151  -5.548  -4.445
  377    HB2  GLU  47           HB2      GLU  47   5.043  -3.579  -2.154
  378    HB3  GLU  47           HB3      GLU  47   5.250  -5.311  -1.858
  379    HG2  GLU  47           HG2      GLU  47   7.024  -3.723  -3.739
  380    HG3  GLU  47           HG3      GLU  47   7.417  -3.989  -2.044
  381    H    ALA  48           H        ALA  48   2.418  -3.618  -3.278
  382    HA   ALA  48           HA       ALA  48   0.946  -5.717  -2.056
  383    HB1  ALA  48           HB1      ALA  48   0.533  -3.164  -1.958
  384    HB2  ALA  48           HB2      ALA  48  -0.865  -4.238  -1.991
  385    HB3  ALA  48           HB3      ALA  48  -0.362  -3.400  -3.460
  386    H    LYS  49           H        LYS  49   0.992  -4.432  -5.374
  387    HA   LYS  49           HA       LYS  49  -1.020  -6.113  -6.416
  388    HB2  LYS  49           HB2      LYS  49  -0.035  -4.031  -7.454
  389    HB3  LYS  49           HB3      LYS  49   1.370  -5.002  -7.892
  390    HG2  LYS  49           HG2      LYS  49   0.154  -6.339  -9.373
  391    HG3  LYS  49           HG3      LYS  49  -1.393  -5.947  -8.626
  392    HD2  LYS  49           HD2      LYS  49   0.231  -3.738  -9.860
  393    HD3  LYS  49           HD3      LYS  49  -0.688  -4.812 -10.892
  394    HE2  LYS  49           HE2      LYS  49  -2.093  -3.656  -8.523
  395    HE3  LYS  49           HE3      LYS  49  -1.785  -2.594  -9.896
  396    HZ1  LYS  49           HZ1      LYS  49  -3.029  -3.934 -11.311
  397    HZ2  LYS  49           HZ2      LYS  49  -3.945  -3.917  -9.882
  398    HZ3  LYS  49           HZ3      LYS  49  -2.987  -5.269 -10.262
  399    H    LYS  50           H        LYS  50   2.479  -6.489  -6.012
  400    HA   LYS  50           HA       LYS  50   2.828  -8.885  -7.468
  401    HB2  LYS  50           HB2      LYS  50   4.637  -7.341  -6.613
  402    HB3  LYS  50           HB3      LYS  50   4.362  -8.010  -5.005
  403    HG2  LYS  50           HG2      LYS  50   4.910 -10.265  -5.822
  404    HG3  LYS  50           HG3      LYS  50   5.117  -9.639  -7.457
  405    HD2  LYS  50           HD2      LYS  50   7.324  -9.719  -6.639
  406    HD3  LYS  50           HD3      LYS  50   6.864  -8.035  -6.400
  407    HE2  LYS  50           HE2      LYS  50   6.249  -8.573  -4.038
  408    HE3  LYS  50           HE3      LYS  50   6.818 -10.223  -4.293
  409    HZ1  LYS  50           HZ1      LYS  50   8.963  -9.042  -5.074
  410    HZ2  LYS  50           HZ2      LYS  50   8.661  -9.198  -3.412
  411    HZ3  LYS  50           HZ3      LYS  50   8.361  -7.717  -4.193
  412    H    LEU  51           H        LEU  51   2.120  -8.256  -4.044
  413    HA   LEU  51           HA       LEU  51   2.108 -10.927  -3.123
  414    HB2  LEU  51           HB2      LEU  51   0.973  -8.323  -2.176
  415    HB3  LEU  51           HB3      LEU  51   0.390  -9.793  -1.408
  416    HG   LEU  51           HG       LEU  51   2.500  -8.476  -0.458
  417   HD11  LEU  51          HD11      LEU  51   1.538 -10.493   0.502
  418   HD12  LEU  51          HD12      LEU  51   3.296 -10.591   0.516
  419   HD13  LEU  51          HD13      LEU  51   2.372 -11.488  -0.690
  420   HD21  LEU  51          HD21      LEU  51   3.737  -8.774  -2.713
  421   HD22  LEU  51          HD22      LEU  51   3.941 -10.458  -2.239
  422   HD23  LEU  51          HD23      LEU  51   4.624  -9.171  -1.251
  423    H    ASN  52           H        ASN  52  -0.485  -8.858  -4.393
  424    HA   ASN  52           HA       ASN  52  -2.632 -10.650  -4.108
  425    HB2  ASN  52           HB2      ASN  52  -3.294  -8.499  -4.613
  426    HB3  ASN  52           HB3      ASN  52  -2.066  -8.287  -5.853
  427   HD21  ASN  52          HD21      ASN  52  -5.259  -9.724  -5.198
  428   HD22  ASN  52          HD22      ASN  52  -5.681  -9.936  -6.830
  429    H    ASP  53           H        ASP  53  -0.406 -10.116  -6.832
  430    HA   ASP  53           HA       ASP  53  -1.521 -12.011  -8.601
  431    HB2  ASP  53           HB2      ASP  53   0.115 -10.242  -9.222
  432    HB3  ASP  53           HB3      ASP  53   1.374 -11.143  -8.404
  433    H    ALA  54           H        ALA  54   0.884 -12.305  -6.036
  434    HA   ALA  54           HA       ALA  54   1.722 -14.932  -6.687
  435    HB1  ALA  54           HB1      ALA  54   1.835 -13.546  -3.996
  436    HB2  ALA  54           HB2      ALA  54   3.022 -13.335  -5.285
  437    HB3  ALA  54           HB3      ALA  54   2.823 -14.912  -4.522
  438    H    GLN  55           H        GLN  55  -0.479 -13.740  -4.132
  439    HA   GLN  55           HA       GLN  55  -1.197 -16.357  -3.230
  440    HB2  GLN  55           HB2      GLN  55  -2.483 -13.657  -2.715
  441    HB3  GLN  55           HB3      GLN  55  -2.944 -15.159  -1.914
  442    HG2  GLN  55           HG2      GLN  55  -0.701 -15.408  -0.990
  443    HG3  GLN  55           HG3      GLN  55  -0.143 -13.990  -1.881
  444   HE21  GLN  55          HE21      GLN  55  -2.371 -12.267  -1.467
  445   HE22  GLN  55          HE22      GLN  55  -2.475 -11.903   0.183
  446    H    ALA  56           H        ALA  56  -2.500 -14.234  -5.684
  447    HA   ALA  56           HA       ALA  56  -5.115 -15.176  -5.872
  448    HB1  ALA  56           HB1      ALA  56  -4.599 -13.282  -7.162
  449    HB2  ALA  56           HB2      ALA  56  -4.852 -14.550  -8.362
  450    HB3  ALA  56           HB3      ALA  56  -3.214 -14.062  -7.926
  451    HA   PRO  57           HA       PRO  57  -4.819 -19.377  -7.218
  452    HB2  PRO  57           HB2      PRO  57  -7.080 -19.493  -8.844
  453    HB3  PRO  57           HB3      PRO  57  -7.082 -19.664  -7.079
  454    HG2  PRO  57           HG2      PRO  57  -7.746 -17.302  -8.751
  455    HG3  PRO  57           HG3      PRO  57  -8.460 -17.847  -7.225
  456    HD2  PRO  57           HD2      PRO  57  -6.717 -15.772  -7.365
  457    HD3  PRO  57           HD3      PRO  57  -6.825 -16.831  -5.942
  458    H    LYS  58           H        LYS  58  -4.803 -20.723  -9.241
  459    HA   LYS  58           HA       LYS  58  -3.913 -21.234 -11.277
  460    HB2  LYS  58           HB2      LYS  58  -5.901 -19.633 -11.850
  461    HB3  LYS  58           HB3      LYS  58  -4.635 -18.474 -12.242
  462    HG2  LYS  58           HG2      LYS  58  -3.609 -20.272 -13.735
  463    HG3  LYS  58           HG3      LYS  58  -5.066 -21.215 -13.456
  464    HD2  LYS  58           HD2      LYS  58  -5.311 -19.986 -15.550
  465    HD3  LYS  58           HD3      LYS  58  -6.434 -19.332 -14.360
  466    HE2  LYS  58           HE2      LYS  58  -5.095 -17.625 -15.748
  467    HE3  LYS  58           HE3      LYS  58  -5.095 -17.390 -14.002
  468    HZ1  LYS  58           HZ1      LYS  58  -2.949 -18.384 -13.840
  469    HZ2  LYS  58           HZ2      LYS  58  -2.870 -17.213 -15.069
  470    HZ3  LYS  58           HZ3      LYS  58  -2.974 -18.861 -15.473
  Start of MODEL    9
    1    H    VAL   1           H        VAL   1   3.116  14.969   3.659
    2    HA   VAL   1           HA       VAL   1   1.001  14.430   5.640
    3    HB   VAL   1           HB       VAL   1   2.914  14.273   7.163
    4   HG11  VAL   1          HG11      VAL   1   2.294  12.287   5.784
    5   HG12  VAL   1          HG12      VAL   1   4.009  12.305   6.192
    6   HG13  VAL   1          HG13      VAL   1   3.483  12.777   4.572
    7   HG21  VAL   1          HG21      VAL   1   4.749  15.527   6.683
    8   HG22  VAL   1          HG22      VAL   1   4.272  15.708   4.997
    9   HG23  VAL   1          HG23      VAL   1   5.183  14.288   5.506
   10    H    ASP   2           H        ASP   2   2.917  16.287   7.333
   11    HA   ASP   2           HA       ASP   2   1.276  18.595   7.199
   12    HB2  ASP   2           HB2      ASP   2   4.028  18.231   8.432
   13    HB3  ASP   2           HB3      ASP   2   2.976  19.618   8.708
   14    H    ASN   3           H        ASN   3   4.804  18.603   6.646
   15    HA   ASN   3           HA       ASN   3   4.516  20.787   4.717
   16    HB2  ASN   3           HB2      ASN   3   6.991  19.473   5.877
   17    HB3  ASN   3           HB3      ASN   3   6.980  20.897   4.839
   18   HD21  ASN   3          HD21      ASN   3   5.121  22.579   5.821
   19   HD22  ASN   3          HD22      ASN   3   5.361  22.908   7.471
   20    H    LYS   4           H        LYS   4   5.495  17.408   4.856
   21    HA   LYS   4           HA       LYS   4   6.530  17.275   2.191
   22    HB2  LYS   4           HB2      LYS   4   6.658  15.664   4.435
   23    HB3  LYS   4           HB3      LYS   4   5.615  14.735   3.367
   24    HG2  LYS   4           HG2      LYS   4   7.561  13.983   2.461
   25    HG3  LYS   4           HG3      LYS   4   7.592  15.531   1.624
   26    HD2  LYS   4           HD2      LYS   4   9.710  15.477   2.625
   27    HD3  LYS   4           HD3      LYS   4   8.778  16.396   3.804
   28    HE2  LYS   4           HE2      LYS   4   8.382  14.291   5.089
   29    HE3  LYS   4           HE3      LYS   4   9.395  13.423   3.934
   30    HZ1  LYS   4           HZ1      LYS   4  10.689  14.056   5.844
   31    HZ2  LYS   4           HZ2      LYS   4  10.239  15.681   5.670
   32    HZ3  LYS   4           HZ3      LYS   4  11.219  14.943   4.495
   33    H    PHE   5           H        PHE   5   5.313  14.838   1.328
   34    HA   PHE   5           HA       PHE   5   2.926  15.911   0.034
   35    HB2  PHE   5           HB2      PHE   5   3.185  13.547  -1.158
   36    HB3  PHE   5           HB3      PHE   5   4.197  14.916  -1.606
   37    HD1  PHE   5           HD1      PHE   5   6.552  15.027  -0.929
   38    HD2  PHE   5           HD2      PHE   5   4.088  11.682   0.179
   39    HE1  PHE   5           HE1      PHE   5   8.570  13.763  -0.241
   40    HE2  PHE   5           HE2      PHE   5   6.107  10.423   0.859
   41    HZ   PHE   5           HZ       PHE   5   8.344  11.467   0.663
   42    H    ASN   6           H        ASN   6   0.952  15.542   0.775
   43    HA   ASN   6           HA       ASN   6   0.425  13.289   2.587
   44    HB2  ASN   6           HB2      ASN   6  -0.351  15.695   3.038
   45    HB3  ASN   6           HB3      ASN   6  -1.542  15.428   1.767
   46   HD21  ASN   6          HD21      ASN   6  -3.287  13.920   2.198
   47   HD22  ASN   6          HD22      ASN   6  -3.560  13.289   3.752
   48    H    LYS   7           H        LYS   7  -0.550  14.566  -0.549
   49    HA   LYS   7           HA       LYS   7  -2.718  12.933  -1.157
   50    HB2  LYS   7           HB2      LYS   7  -0.606  13.949  -3.084
   51    HB3  LYS   7           HB3      LYS   7  -2.233  13.425  -3.511
   52    HG2  LYS   7           HG2      LYS   7  -1.605  15.752  -1.656
   53    HG3  LYS   7           HG3      LYS   7  -2.018  15.912  -3.360
   54    HD2  LYS   7           HD2      LYS   7  -4.187  14.704  -2.863
   55    HD3  LYS   7           HD3      LYS   7  -3.781  14.807  -1.150
   56    HE2  LYS   7           HE2      LYS   7  -5.226  16.677  -1.692
   57    HE3  LYS   7           HE3      LYS   7  -3.604  17.305  -1.406
   58    HZ1  LYS   7           HZ1      LYS   7  -3.922  16.569  -4.124
   59    HZ2  LYS   7           HZ2      LYS   7  -3.525  18.082  -3.467
   60    HZ3  LYS   7           HZ3      LYS   7  -5.154  17.645  -3.667
   61    H    GLU   8           H        GLU   8   0.745  12.295  -1.668
   62    HA   GLU   8           HA       GLU   8   0.524   9.906  -3.122
   63    HB2  GLU   8           HB2      GLU   8   2.627  11.202  -2.783
   64    HB3  GLU   8           HB3      GLU   8   2.674  10.633  -1.115
   65    HG2  GLU   8           HG2      GLU   8   2.739   8.283  -1.935
   66    HG3  GLU   8           HG3      GLU   8   2.744   8.878  -3.594
   67    H    MET   9           H        MET   9   0.468  10.495   0.366
   68    HA   MET   9           HA       MET   9   0.570   7.788   1.201
   69    HB2  MET   9           HB2      MET   9   0.216  10.381   2.433
   70    HB3  MET   9           HB3      MET   9  -0.971   9.260   3.088
   71    HG2  MET   9           HG2      MET   9   0.603   8.156   4.274
   72    HG3  MET   9           HG3      MET   9   1.668   8.012   2.879
   73    HE1  MET   9           HE1      MET   9   3.567   9.389   2.317
   74    HE2  MET   9           HE2      MET   9   3.852  11.054   2.849
   75    HE3  MET   9           HE3      MET   9   2.443  10.672   1.865
   76    H    ARG  10           H        ARG  10  -2.198  10.002   0.726
   77    HA   ARG  10           HA       ARG  10  -4.223   8.153   1.380
   78    HB2  ARG  10           HB2      ARG  10  -4.329  10.515  -0.514
   79    HB3  ARG  10           HB3      ARG  10  -5.739   9.648   0.092
   80    HG2  ARG  10           HG2      ARG  10  -4.863  10.166   2.453
   81    HG3  ARG  10           HG3      ARG  10  -3.753  11.295   1.678
   82    HD2  ARG  10           HD2      ARG  10  -6.783  11.365   1.581
   83    HD3  ARG  10           HD3      ARG  10  -5.721  12.524   2.378
   84    HE   ARG  10           HE       ARG  10  -5.026  12.433  -0.349
   85   HH11  ARG  10          HH11      ARG  10  -7.666  13.403   1.695
   86   HH12  ARG  10          HH12      ARG  10  -8.237  14.614   0.599
   87   HH21  ARG  10          HH21      ARG  10  -5.791  14.015  -1.770
   88   HH22  ARG  10          HH22      ARG  10  -7.179  14.958  -1.353
   89    H    ASN  11           H        ASN  11  -2.567   8.781  -1.685
   90    HA   ASN  11           HA       ASN  11  -4.262   7.297  -3.376
   91    HB2  ASN  11           HB2      ASN  11  -1.415   8.208  -3.529
   92    HB3  ASN  11           HB3      ASN  11  -1.999   7.048  -4.719
   93   HD21  ASN  11          HD21      ASN  11  -3.364  10.033  -3.181
   94   HD22  ASN  11          HD22      ASN  11  -3.875  10.714  -4.649
   95    H    ALA  12           H        ALA  12  -1.076   6.243  -2.061
   96    HA   ALA  12           HA       ALA  12  -1.422   3.547  -2.873
   97    HB1  ALA  12           HB1      ALA  12   0.576   3.050  -1.693
   98    HB2  ALA  12           HB2      ALA  12   0.351   4.409  -0.585
   99    HB3  ALA  12           HB3      ALA  12   0.774   4.706  -2.271
  100    H    TYR  13           H        TYR  13  -2.368   5.258   0.058
  101    HA   TYR  13           HA       TYR  13  -2.815   3.122   1.814
  102    HB2  TYR  13           HB2      TYR  13  -2.948   5.488   2.480
  103    HB3  TYR  13           HB3      TYR  13  -4.397   5.699   1.506
  104    HD1  TYR  13           HD1      TYR  13  -6.518   4.480   2.145
  105    HD2  TYR  13           HD2      TYR  13  -3.038   4.504   4.669
  106    HE1  TYR  13           HE1      TYR  13  -7.904   3.753   4.067
  107    HE2  TYR  13           HE2      TYR  13  -4.428   3.772   6.587
  108    HH   TYR  13           HH       TYR  13  -7.470   4.084   6.873
  109    H    TRP  14           H        TRP  14  -5.264   4.734  -0.226
  110    HA   TRP  14           HA       TRP  14  -7.271   2.759   0.192
  111    HB2  TRP  14           HB2      TRP  14  -7.677   5.146  -0.441
  112    HB3  TRP  14           HB3      TRP  14  -7.062   4.773  -2.047
  113    HD1  TRP  14           HD1      TRP  14  -9.937   3.849   0.334
  114    HE1  TRP  14           HE1      TRP  14 -11.913   2.966  -1.066
  115    HE3  TRP  14           HE3      TRP  14  -7.778   3.769  -4.297
  116    HZ2  TRP  14           HZ2      TRP  14 -12.503   2.314  -3.785
  117    HZ3  TRP  14           HZ3      TRP  14  -9.072   3.014  -6.272
  118    HH2  TRP  14           HH2      TRP  14 -11.429   2.287  -6.022
  119    H    GLU  15           H        GLU  15  -4.969   3.342  -2.466
  120    HA   GLU  15           HA       GLU  15  -5.960   1.481  -4.299
  121    HB2  GLU  15           HB2      GLU  15  -4.193   3.198  -4.760
  122    HB3  GLU  15           HB3      GLU  15  -3.045   2.192  -3.884
  123    HG2  GLU  15           HG2      GLU  15  -2.820   1.713  -6.253
  124    HG3  GLU  15           HG3      GLU  15  -3.544   0.312  -5.474
  125    H    ILE  16           H        ILE  16  -3.505   0.999  -1.736
  126    HA   ILE  16           HA       ILE  16  -3.026  -1.742  -2.317
  127    HB   ILE  16           HB       ILE  16  -2.663  -0.141   0.237
  128   HG12  ILE  16          HG12      ILE  16  -0.579  -1.187  -1.706
  129   HG13  ILE  16          HG13      ILE  16  -1.297   0.410  -1.868
  130   HG21  ILE  16          HG21      ILE  16  -1.058  -2.103   0.783
  131   HG22  ILE  16          HG22      ILE  16  -1.959  -3.010  -0.430
  132   HG23  ILE  16          HG23      ILE  16  -2.784  -2.389   0.999
  133   HD11  ILE  16          HD11      ILE  16  -0.524   0.985   0.415
  134   HD12  ILE  16          HD12      ILE  16   0.825   0.540  -0.629
  135   HD13  ILE  16          HD13      ILE  16   0.214  -0.610   0.557
  136    H    ALA  17           H        ALA  17  -5.208  -0.130  -0.009
  137    HA   ALA  17           HA       ALA  17  -6.267  -2.414   1.224
  138    HB1  ALA  17           HB1      ALA  17  -7.669   0.214   0.670
  139    HB2  ALA  17           HB2      ALA  17  -6.613  -0.109   2.044
  140    HB3  ALA  17           HB3      ALA  17  -8.138  -0.979   1.881
  141    H    LEU  18           H        LEU  18  -6.892  -1.055  -1.923
  142    HA   LEU  18           HA       LEU  18  -9.444  -2.061  -2.468
  143    HB2  LEU  18           HB2      LEU  18  -8.142  -0.449  -3.894
  144    HB3  LEU  18           HB3      LEU  18  -7.176  -1.810  -4.457
  145    HG   LEU  18           HG       LEU  18  -9.330  -2.920  -5.214
  146   HD11  LEU  18          HD11      LEU  18 -11.032  -1.834  -3.974
  147   HD12  LEU  18          HD12      LEU  18 -11.215  -1.183  -5.600
  148   HD13  LEU  18          HD13      LEU  18 -10.411  -0.229  -4.356
  149   HD21  LEU  18          HD21      LEU  18  -9.552  -1.492  -7.235
  150   HD22  LEU  18          HD22      LEU  18  -7.862  -1.755  -6.807
  151   HD23  LEU  18          HD23      LEU  18  -8.639  -0.218  -6.424
  152    H    LEU  19           H        LEU  19  -6.275  -3.694  -2.685
  153    HA   LEU  19           HA       LEU  19  -7.308  -6.035  -3.992
  154    HB2  LEU  19           HB2      LEU  19  -4.765  -5.614  -2.409
  155    HB3  LEU  19           HB3      LEU  19  -5.126  -7.056  -3.342
  156    HG   LEU  19           HG       LEU  19  -3.862  -5.895  -4.895
  157   HD11  LEU  19          HD11      LEU  19  -6.189  -6.197  -5.838
  158   HD12  LEU  19          HD12      LEU  19  -5.230  -4.934  -6.604
  159   HD13  LEU  19          HD13      LEU  19  -6.488  -4.501  -5.450
  160   HD21  LEU  19          HD21      LEU  19  -3.598  -3.927  -3.327
  161   HD22  LEU  19          HD22      LEU  19  -5.040  -3.239  -4.075
  162   HD23  LEU  19          HD23      LEU  19  -3.597  -3.532  -5.046
  163    HA   PRO  20           HA       PRO  20  -9.005  -7.697  -0.142
  164    HB2  PRO  20           HB2      PRO  20 -10.685  -9.464  -1.196
  165    HB3  PRO  20           HB3      PRO  20 -10.926  -7.725  -1.475
  166    HG2  PRO  20           HG2      PRO  20  -9.713  -9.774  -3.282
  167    HG3  PRO  20           HG3      PRO  20 -10.877  -8.494  -3.662
  168    HD2  PRO  20           HD2      PRO  20  -8.126  -8.294  -4.067
  169    HD3  PRO  20           HD3      PRO  20  -9.236  -6.912  -3.926
  170    H    ASN  21           H        ASN  21  -7.236  -9.627  -2.512
  171    HA   ASN  21           HA       ASN  21  -7.346 -12.056  -0.946
  172    HB2  ASN  21           HB2      ASN  21  -5.863 -12.955  -2.729
  173    HB3  ASN  21           HB3      ASN  21  -7.346 -12.238  -3.347
  174   HD21  ASN  21          HD21      ASN  21  -5.725 -12.253  -5.345
  175   HD22  ASN  21          HD22      ASN  21  -4.844 -10.815  -5.559
  176    H    LEU  22           H        LEU  22  -5.526  -9.283  -0.541
  177    HA   LEU  22           HA       LEU  22  -2.986 -10.494   0.039
  178    HB2  LEU  22           HB2      LEU  22  -4.083  -7.826   0.942
  179    HB3  LEU  22           HB3      LEU  22  -2.414  -8.369   1.139
  180    HG   LEU  22           HG       LEU  22  -3.739  -8.239  -1.573
  181   HD11  LEU  22          HD11      LEU  22  -2.647  -6.051  -1.870
  182   HD12  LEU  22          HD12      LEU  22  -2.037  -6.114  -0.217
  183   HD13  LEU  22          HD13      LEU  22  -3.769  -5.979  -0.511
  184   HD21  LEU  22          HD21      LEU  22  -0.842  -8.222  -0.649
  185   HD22  LEU  22          HD22      LEU  22  -1.389  -8.180  -2.324
  186   HD23  LEU  22          HD23      LEU  22  -1.686  -9.609  -1.345
  187    H    ASN  23           H        ASN  23  -2.338 -11.498   1.818
  188    HA   ASN  23           HA       ASN  23  -4.031 -12.466   3.789
  189    HB2  ASN  23           HB2      ASN  23  -1.676 -13.238   3.320
  190    HB3  ASN  23           HB3      ASN  23  -1.103 -11.845   4.232
  191   HD21  ASN  23          HD21      ASN  23  -0.664 -12.352   6.374
  192   HD22  ASN  23          HD22      ASN  23  -1.473 -13.539   7.279
  193    H    ASN  24           H        ASN  24  -4.541 -11.877   5.917
  194    HA   ASN  24           HA       ASN  24  -5.263  -9.291   6.470
  195    HB2  ASN  24           HB2      ASN  24  -4.497 -11.452   8.445
  196    HB3  ASN  24           HB3      ASN  24  -5.365  -9.980   8.866
  197   HD21  ASN  24          HD21      ASN  24  -6.414 -10.847   5.770
  198   HD22  ASN  24          HD22      ASN  24  -7.783 -11.748   6.216
  199    H    GLN  25           H        GLN  25  -2.177 -10.808   7.435
  200    HA   GLN  25           HA       GLN  25  -1.226  -8.551   8.910
  201    HB2  GLN  25           HB2      GLN  25   0.286 -10.837   7.612
  202    HB3  GLN  25           HB3      GLN  25   0.997  -9.665   8.720
  203    HG2  GLN  25           HG2      GLN  25  -1.300 -11.536   9.378
  204    HG3  GLN  25           HG3      GLN  25   0.371 -11.750   9.886
  205   HE21  GLN  25          HE21      GLN  25  -2.505 -10.769  11.126
  206   HE22  GLN  25          HE22      GLN  25  -1.968  -9.610  12.243
  207    H    GLN  26           H        GLN  26  -0.696  -9.701   5.604
  208    HA   GLN  26           HA       GLN  26   1.203  -7.812   4.789
  209    HB2  GLN  26           HB2      GLN  26  -0.880  -9.310   3.182
  210    HB3  GLN  26           HB3      GLN  26   0.447  -8.390   2.471
  211    HG2  GLN  26           HG2      GLN  26   2.088  -9.800   3.635
  212    HG3  GLN  26           HG3      GLN  26   0.796 -10.693   4.424
  213   HE21  GLN  26          HE21      GLN  26  -0.981 -11.094   2.239
  214   HE22  GLN  26          HE22      GLN  26  -0.208 -12.064   1.078
  215    H    LYS  27           H        LYS  27  -2.347  -7.615   4.767
  216    HA   LYS  27           HA       LYS  27  -2.652  -5.308   3.196
  217    HB2  LYS  27           HB2      LYS  27  -4.308  -6.305   5.533
  218    HB3  LYS  27           HB3      LYS  27  -4.808  -5.005   4.452
  219    HG2  LYS  27           HG2      LYS  27  -4.743  -6.500   2.539
  220    HG3  LYS  27           HG3      LYS  27  -4.116  -7.808   3.533
  221    HD2  LYS  27           HD2      LYS  27  -6.218  -8.410   4.092
  222    HD3  LYS  27           HD3      LYS  27  -6.491  -6.821   4.801
  223    HE2  LYS  27           HE2      LYS  27  -8.163  -7.105   3.106
  224    HE3  LYS  27           HE3      LYS  27  -6.971  -5.976   2.455
  225    HZ1  LYS  27           HZ1      LYS  27  -6.017  -8.449   1.773
  226    HZ2  LYS  27           HZ2      LYS  27  -6.822  -7.367   0.735
  227    HZ3  LYS  27           HZ3      LYS  27  -7.695  -8.590   1.535
  228    H    ARG  28           H        ARG  28  -2.539  -5.531   6.756
  229    HA   ARG  28           HA       ARG  28  -2.393  -2.701   7.153
  230    HB2  ARG  28           HB2      ARG  28  -1.804  -5.013   9.023
  231    HB3  ARG  28           HB3      ARG  28  -1.887  -3.322   9.518
  232    HG2  ARG  28           HG2      ARG  28  -4.234  -3.220   8.657
  233    HG3  ARG  28           HG3      ARG  28  -4.142  -4.942   8.282
  234    HD2  ARG  28           HD2      ARG  28  -3.608  -5.369  10.707
  235    HD3  ARG  28           HD3      ARG  28  -3.911  -3.661  11.023
  236    HE   ARG  28           HE       ARG  28  -6.147  -4.714   9.673
  237   HH11  ARG  28          HH11      ARG  28  -4.498  -5.021  12.718
  238   HH12  ARG  28          HH12      ARG  28  -5.927  -5.450  13.593
  239   HH21  ARG  28          HH21      ARG  28  -8.001  -5.276  10.830
  240   HH22  ARG  28          HH22      ARG  28  -7.901  -5.594  12.528
  241    H    ALA  29           H        ALA  29   0.000  -5.257   6.831
  242    HA   ALA  29           HA       ALA  29   2.230  -4.003   7.946
  243    HB1  ALA  29           HB1      ALA  29   2.043  -6.002   5.688
  244    HB2  ALA  29           HB2      ALA  29   2.300  -6.342   7.399
  245    HB3  ALA  29           HB3      ALA  29   3.555  -5.532   6.463
  246    H    PHE  30           H        PHE  30   1.262  -4.002   4.465
  247    HA   PHE  30           HA       PHE  30   3.405  -2.371   3.619
  248    HB2  PHE  30           HB2      PHE  30   0.714  -3.016   2.444
  249    HB3  PHE  30           HB3      PHE  30   1.755  -1.819   1.674
  250    HD1  PHE  30           HD1      PHE  30   4.318  -2.575   1.472
  251    HD2  PHE  30           HD2      PHE  30   0.975  -5.255   1.767
  252    HE1  PHE  30           HE1      PHE  30   5.674  -4.373   0.449
  253    HE2  PHE  30           HE2      PHE  30   2.332  -7.053   0.746
  254    HZ   PHE  30           HZ       PHE  30   4.687  -6.614   0.080
  255    H    ILE  31           H        ILE  31   0.018  -1.388   4.278
  256    HA   ILE  31           HA       ILE  31   0.416   1.349   3.833
  257    HB   ILE  31           HB       ILE  31  -1.617  -0.046   5.600
  258   HG12  ILE  31          HG12      ILE  31  -1.673   1.000   2.736
  259   HG13  ILE  31          HG13      ILE  31  -1.766  -0.686   3.237
  260   HG21  ILE  31          HG21      ILE  31  -1.371   2.322   6.271
  261   HG22  ILE  31          HG22      ILE  31  -2.900   2.073   5.439
  262   HG23  ILE  31          HG23      ILE  31  -1.549   2.824   4.590
  263   HD11  ILE  31          HD11      ILE  31  -3.858   1.471   3.455
  264   HD12  ILE  31          HD12      ILE  31  -3.894   0.099   4.568
  265   HD13  ILE  31          HD13      ILE  31  -4.012  -0.169   2.828
  266    H    ARG  32           H        ARG  32   0.740  -0.530   6.859
  267    HA   ARG  32           HA       ARG  32   1.244   1.669   8.574
  268    HB2  ARG  32           HB2      ARG  32   0.731  -0.647   9.352
  269    HB3  ARG  32           HB3      ARG  32   2.334  -1.153   8.820
  270    HG2  ARG  32           HG2      ARG  32   3.352   0.519  10.361
  271    HG3  ARG  32           HG3      ARG  32   1.740   0.973  10.910
  272    HD2  ARG  32           HD2      ARG  32   1.371  -1.396  11.632
  273    HD3  ARG  32           HD3      ARG  32   3.040  -1.754  11.191
  274    HE   ARG  32           HE       ARG  32   3.054   0.449  12.942
  275   HH11  ARG  32          HH11      ARG  32   2.276  -2.939  12.952
  276   HH12  ARG  32          HH12      ARG  32   2.651  -3.149  14.628
  277   HH21  ARG  32          HH21      ARG  32   3.537   0.156  15.127
  278   HH22  ARG  32          HH22      ARG  32   3.362  -1.405  15.853
  279    H    SER  33           H        SER  33   3.429  -0.432   6.719
  280    HA   SER  33           HA       SER  33   5.872   0.719   7.537
  281    HB2  SER  33           HB2      SER  33   5.176  -0.645   4.923
  282    HB3  SER  33           HB3      SER  33   6.810  -0.287   5.477
  283    HG   SER  33           HG       SER  33   4.879  -2.030   6.605
  284    H    LEU  34           H        LEU  34   3.510   1.668   5.120
  285    HA   LEU  34           HA       LEU  34   5.030   3.465   3.591
  286    HB2  LEU  34           HB2      LEU  34   2.333   2.684   3.739
  287    HB3  LEU  34           HB3      LEU  34   2.306   4.415   4.038
  288    HG   LEU  34           HG       LEU  34   4.112   4.047   1.885
  289   HD11  LEU  34          HD11      LEU  34   2.831   2.784   0.251
  290   HD12  LEU  34          HD12      LEU  34   1.527   2.528   1.411
  291   HD13  LEU  34          HD13      LEU  34   3.093   1.761   1.665
  292   HD21  LEU  34          HD21      LEU  34   2.256   5.190   0.603
  293   HD22  LEU  34          HD22      LEU  34   2.699   5.991   2.109
  294   HD23  LEU  34          HD23      LEU  34   1.237   5.005   2.028
  295    H    TYR  35           H        TYR  35   3.100   4.021   6.529
  296    HA   TYR  35           HA       TYR  35   3.623   6.796   6.766
  297    HB2  TYR  35           HB2      TYR  35   1.809   5.577   7.985
  298    HB3  TYR  35           HB3      TYR  35   3.039   4.814   8.991
  299    HD1  TYR  35           HD1      TYR  35   1.459   8.051   8.083
  300    HD2  TYR  35           HD2      TYR  35   4.169   6.041  10.751
  301    HE1  TYR  35           HE1      TYR  35   1.488  10.043   9.558
  302    HE2  TYR  35           HE2      TYR  35   4.193   8.036  12.223
  303    HH   TYR  35           HH       TYR  35   2.031  10.295  12.294
  304    H    ASP  36           H        ASP  36   5.246   3.912   8.042
  305    HA   ASP  36           HA       ASP  36   7.159   5.223   9.653
  306    HB2  ASP  36           HB2      ASP  36   6.563   2.744   9.627
  307    HB3  ASP  36           HB3      ASP  36   7.609   2.602   8.216
  308    H    ASP  37           H        ASP  37   7.135   4.448   6.196
  309    HA   ASP  37           HA       ASP  37   9.461   6.206   5.798
  310    HB2  ASP  37           HB2      ASP  37   9.313   3.349   4.790
  311    HB3  ASP  37           HB3      ASP  37  10.504   4.533   4.257
  312    HA   PRO  38           HA       PRO  38   5.966   7.074   2.829
  313    HB2  PRO  38           HB2      PRO  38   7.420   9.679   2.815
  314    HB3  PRO  38           HB3      PRO  38   5.684   9.355   2.979
  315    HG2  PRO  38           HG2      PRO  38   7.156  10.112   5.061
  316    HG3  PRO  38           HG3      PRO  38   5.838   8.941   5.234
  317    HD2  PRO  38           HD2      PRO  38   8.792   8.460   5.209
  318    HD3  PRO  38           HD3      PRO  38   7.521   7.634   6.134
  319    H    SER  39           H        SER  39   9.420   7.459   2.666
  320    HA   SER  39           HA       SER  39   9.787   8.205  -0.002
  321    HB2  SER  39           HB2      SER  39  11.578   6.459   1.701
  322    HB3  SER  39           HB3      SER  39  12.058   7.333   0.248
  323    HG   SER  39           HG       SER  39  11.663   9.254   1.306
  324    H    GLN  40           H        GLN  40   9.075   5.003   1.351
  325    HA   GLN  40           HA       GLN  40   9.633   3.723  -1.237
  326    HB2  GLN  40           HB2      GLN  40   8.716   2.409   1.330
  327    HB3  GLN  40           HB3      GLN  40   9.433   1.628  -0.075
  328    HG2  GLN  40           HG2      GLN  40  10.823   3.616   1.750
  329    HG3  GLN  40           HG3      GLN  40  11.089   1.878   1.732
  330   HE21  GLN  40          HE21      GLN  40  12.492   4.676   0.672
  331   HE22  GLN  40          HE22      GLN  40  13.285   4.092  -0.711
  332    H    SER  41           H        SER  41   7.049   5.380  -0.105
  333    HA   SER  41           HA       SER  41   4.794   3.832  -0.176
  334    HB2  SER  41           HB2      SER  41   5.130   6.552  -1.456
  335    HB3  SER  41           HB3      SER  41   3.585   5.793  -1.084
  336    HG   SER  41           HG       SER  41   5.490   6.923   0.590
  337    H    ALA  42           H        ALA  42   6.645   4.904  -2.999
  338    HA   ALA  42           HA       ALA  42   4.812   3.946  -4.962
  339    HB1  ALA  42           HB1      ALA  42   7.802   4.408  -5.157
  340    HB2  ALA  42           HB2      ALA  42   6.551   5.607  -5.485
  341    HB3  ALA  42           HB3      ALA  42   6.706   4.188  -6.522
  342    H    ASN  43           H        ASN  43   7.744   2.568  -3.486
  343    HA   ASN  43           HA       ASN  43   7.739   0.137  -4.963
  344    HB2  ASN  43           HB2      ASN  43   8.946   0.759  -2.255
  345    HB3  ASN  43           HB3      ASN  43   9.294  -0.674  -3.212
  346   HD21  ASN  43          HD21      ASN  43  11.396   1.011  -2.520
  347   HD22  ASN  43          HD22      ASN  43  11.949   1.846  -3.892
  348    H    LEU  44           H        LEU  44   6.604   0.912  -1.665
  349    HA   LEU  44           HA       LEU  44   5.750  -1.641  -0.905
  350    HB2  LEU  44           HB2      LEU  44   4.503   0.992  -0.173
  351    HB3  LEU  44           HB3      LEU  44   4.303  -0.501   0.711
  352    HG   LEU  44           HG       LEU  44   6.937   0.972   0.313
  353   HD11  LEU  44          HD11      LEU  44   5.513   2.173   1.857
  354   HD12  LEU  44          HD12      LEU  44   6.772   1.350   2.775
  355   HD13  LEU  44          HD13      LEU  44   5.137   0.688   2.733
  356   HD21  LEU  44          HD21      LEU  44   7.378  -1.395   0.491
  357   HD22  LEU  44          HD22      LEU  44   6.251  -1.553   1.839
  358   HD23  LEU  44          HD23      LEU  44   7.756  -0.658   2.046
  359    H    LEU  45           H        LEU  45   3.966   0.910  -2.649
  360    HA   LEU  45           HA       LEU  45   1.449  -0.379  -2.760
  361    HB2  LEU  45           HB2      LEU  45   1.515   1.924  -3.331
  362    HB3  LEU  45           HB3      LEU  45   2.813   1.682  -4.489
  363    HG   LEU  45           HG       LEU  45   1.263   0.439  -5.978
  364   HD11  LEU  45          HD11      LEU  45  -0.230  -0.435  -4.154
  365   HD12  LEU  45          HD12      LEU  45  -1.110   0.287  -5.494
  366   HD13  LEU  45          HD13      LEU  45  -0.905   1.185  -3.990
  367   HD21  LEU  45          HD21      LEU  45   1.477   2.885  -6.235
  368   HD22  LEU  45          HD22      LEU  45   0.162   3.123  -5.082
  369   HD23  LEU  45          HD23      LEU  45  -0.153   2.347  -6.635
  370    H    ALA  46           H        ALA  46   4.162  -0.316  -5.032
  371    HA   ALA  46           HA       ALA  46   3.083  -2.078  -6.977
  372    HB1  ALA  46           HB1      ALA  46   5.374  -2.309  -7.780
  373    HB2  ALA  46           HB2      ALA  46   6.003  -1.676  -6.258
  374    HB3  ALA  46           HB3      ALA  46   5.081  -0.627  -7.337
  375    H    GLU  47           H        GLU  47   5.033  -2.617  -4.086
  376    HA   GLU  47           HA       GLU  47   5.459  -5.401  -4.375
  377    HB2  GLU  47           HB2      GLU  47   5.486  -3.490  -2.028
  378    HB3  GLU  47           HB3      GLU  47   5.775  -5.225  -1.822
  379    HG2  GLU  47           HG2      GLU  47   7.339  -3.487  -3.757
  380    HG3  GLU  47           HG3      GLU  47   7.880  -3.844  -2.120
  381    H    ALA  48           H        ALA  48   2.893  -3.512  -2.812
  382    HA   ALA  48           HA       ALA  48   1.540  -5.683  -1.586
  383    HB1  ALA  48           HB1      ALA  48   1.103  -3.340  -0.972
  384    HB2  ALA  48           HB2      ALA  48  -0.385  -4.139  -1.482
  385    HB3  ALA  48           HB3      ALA  48   0.443  -3.034  -2.578
  386    H    LYS  49           H        LYS  49   1.169  -4.063  -4.715
  387    HA   LYS  49           HA       LYS  49  -1.009  -5.599  -5.664
  388    HB2  LYS  49           HB2      LYS  49  -0.030  -3.391  -6.589
  389    HB3  LYS  49           HB3      LYS  49   1.121  -4.418  -7.446
  390    HG2  LYS  49           HG2      LYS  49  -0.752  -5.647  -8.495
  391    HG3  LYS  49           HG3      LYS  49  -1.904  -4.631  -7.634
  392    HD2  LYS  49           HD2      LYS  49  -0.458  -2.684  -8.786
  393    HD3  LYS  49           HD3      LYS  49  -0.138  -3.970  -9.946
  394    HE2  LYS  49           HE2      LYS  49  -2.708  -4.340  -9.940
  395    HE3  LYS  49           HE3      LYS  49  -2.784  -2.743  -9.186
  396    HZ1  LYS  49           HZ1      LYS  49  -2.967  -2.477 -11.534
  397    HZ2  LYS  49           HZ2      LYS  49  -1.592  -3.429 -11.818
  398    HZ3  LYS  49           HZ3      LYS  49  -1.433  -1.911 -11.073
  399    H    LYS  50           H        LYS  50   2.473  -6.112  -5.635
  400    HA   LYS  50           HA       LYS  50   2.674  -8.214  -7.495
  401    HB2  LYS  50           HB2      LYS  50   4.567  -6.926  -6.422
  402    HB3  LYS  50           HB3      LYS  50   4.308  -7.880  -4.967
  403    HG2  LYS  50           HG2      LYS  50   4.798  -9.946  -6.161
  404    HG3  LYS  50           HG3      LYS  50   4.888  -9.080  -7.694
  405    HD2  LYS  50           HD2      LYS  50   7.153  -9.330  -7.050
  406    HD3  LYS  50           HD3      LYS  50   6.752  -7.676  -6.590
  407    HE2  LYS  50           HE2      LYS  50   6.206  -8.591  -4.265
  408    HE3  LYS  50           HE3      LYS  50   6.949 -10.103  -4.785
  409    HZ1  LYS  50           HZ1      LYS  50   9.011  -9.076  -5.055
  410    HZ2  LYS  50           HZ2      LYS  50   8.418  -8.422  -3.605
  411    HZ3  LYS  50           HZ3      LYS  50   8.350  -7.508  -5.036
  412    H    LEU  51           H        LEU  51   2.117  -8.254  -3.968
  413    HA   LEU  51           HA       LEU  51   1.944 -11.083  -3.723
  414    HB2  LEU  51           HB2      LEU  51   1.271  -8.736  -2.014
  415    HB3  LEU  51           HB3      LEU  51   0.472 -10.256  -1.602
  416    HG   LEU  51           HG       LEU  51   3.455 -10.172  -2.120
  417   HD11  LEU  51          HD11      LEU  51   3.593 -10.068   0.470
  418   HD12  LEU  51          HD12      LEU  51   1.981  -9.356   0.380
  419   HD13  LEU  51          HD13      LEU  51   3.342  -8.566  -0.415
  420   HD21  LEU  51          HD21      LEU  51   1.562 -11.987  -0.592
  421   HD22  LEU  51          HD22      LEU  51   3.317 -12.106  -0.460
  422   HD23  LEU  51          HD23      LEU  51   2.529 -12.387  -2.011
  423    H    ASN  52           H        ASN  52  -0.439  -8.569  -4.409
  424    HA   ASN  52           HA       ASN  52  -2.788 -10.136  -4.227
  425    HB2  ASN  52           HB2      ASN  52  -3.051  -7.783  -4.337
  426    HB3  ASN  52           HB3      ASN  52  -2.066  -7.650  -5.783
  427   HD21  ASN  52          HD21      ASN  52  -5.255  -8.761  -4.614
  428   HD22  ASN  52          HD22      ASN  52  -6.007  -8.702  -6.137
  429    H    ASP  53           H        ASP  53  -0.677  -9.358  -6.981
  430    HA   ASP  53           HA       ASP  53  -2.078 -10.876  -8.923
  431    HB2  ASP  53           HB2      ASP  53  -0.415  -9.099  -9.421
  432    HB3  ASP  53           HB3      ASP  53   0.865 -10.157  -8.870
  433    H    ALA  54           H        ALA  54   0.544 -11.675  -6.696
  434    HA   ALA  54           HA       ALA  54   1.155 -14.201  -7.829
  435    HB1  ALA  54           HB1      ALA  54   2.701 -12.923  -6.373
  436    HB2  ALA  54           HB2      ALA  54   2.455 -14.570  -5.794
  437    HB3  ALA  54           HB3      ALA  54   1.633 -13.224  -5.000
  438    H    GLN  55           H        GLN  55  -0.675 -13.335  -4.886
  439    HA   GLN  55           HA       GLN  55  -1.437 -16.014  -4.270
  440    HB2  GLN  55           HB2      GLN  55  -2.540 -13.357  -3.316
  441    HB3  GLN  55           HB3      GLN  55  -2.991 -14.925  -2.646
  442    HG2  GLN  55           HG2      GLN  55  -0.706 -15.358  -1.951
  443    HG3  GLN  55           HG3      GLN  55  -0.131 -13.912  -2.777
  444   HE21  GLN  55          HE21      GLN  55  -2.439 -12.249  -1.914
  445   HE22  GLN  55          HE22      GLN  55  -2.219 -11.967  -0.263
  446    H    ALA  56           H        ALA  56  -2.868 -13.538  -6.284
  447    HA   ALA  56           HA       ALA  56  -5.532 -14.322  -6.352
  448    HB1  ALA  56           HB1      ALA  56  -5.422 -13.430  -8.781
  449    HB2  ALA  56           HB2      ALA  56  -3.736 -13.069  -8.414
  450    HB3  ALA  56           HB3      ALA  56  -5.025 -12.324  -7.468
  451    HA   PRO  57           HA       PRO  57  -5.996 -18.247  -8.319
  452    HB2  PRO  57           HB2      PRO  57  -7.761 -16.953 -10.354
  453    HB3  PRO  57           HB3      PRO  57  -8.084 -18.337  -9.289
  454    HG2  PRO  57           HG2      PRO  57  -9.141 -15.952  -8.802
  455    HG3  PRO  57           HG3      PRO  57  -8.585 -17.002  -7.487
  456    HD2  PRO  57           HD2      PRO  57  -7.302 -14.543  -8.605
  457    HD3  PRO  57           HD3      PRO  57  -7.331 -15.146  -6.932
  458    H    LYS  58           H        LYS  58  -5.470 -19.496 -10.168
  459    HA   LYS  58           HA       LYS  58  -3.561 -18.204 -11.994
  460    HB2  LYS  58           HB2      LYS  58  -4.129 -21.154 -11.564
  461    HB3  LYS  58           HB3      LYS  58  -2.795 -20.471 -12.490
  462    HG2  LYS  58           HG2      LYS  58  -3.237 -20.008  -9.517
  463    HG3  LYS  58           HG3      LYS  58  -2.124 -21.196 -10.189
  464    HD2  LYS  58           HD2      LYS  58  -0.925 -19.346 -11.380
  465    HD3  LYS  58           HD3      LYS  58  -1.989 -18.186 -10.588
  466    HE2  LYS  58           HE2      LYS  58   0.113 -18.354  -9.347
  467    HE3  LYS  58           HE3      LYS  58  -1.206 -19.004  -8.374
  468    HZ1  LYS  58           HZ1      LYS  58  -0.486 -21.149  -8.669
  469    HZ2  LYS  58           HZ2      LYS  58   0.998 -20.330  -8.638
  470    HZ3  LYS  58           HZ3      LYS  58   0.324 -20.809 -10.122
  Start of MODEL   10
    1    H    VAL   1           H        VAL   1   4.811  19.937   6.754
    2    HA   VAL   1           HA       VAL   1   6.466  19.825   4.313
    3    HB   VAL   1           HB       VAL   1   5.571  17.512   3.976
    4   HG11  VAL   1          HG11      VAL   1   7.869  17.987   4.925
    5   HG12  VAL   1          HG12      VAL   1   7.207  16.415   5.367
    6   HG13  VAL   1          HG13      VAL   1   7.188  17.736   6.533
    7   HG21  VAL   1          HG21      VAL   1   3.648  17.621   5.515
    8   HG22  VAL   1          HG22      VAL   1   4.737  17.795   6.891
    9   HG23  VAL   1          HG23      VAL   1   4.711  16.292   5.971
   10    H    ASP   2           H        ASP   2   5.183  19.852   2.440
   11    HA   ASP   2           HA       ASP   2   2.615  21.169   2.754
   12    HB2  ASP   2           HB2      ASP   2   2.734  21.491   0.328
   13    HB3  ASP   2           HB3      ASP   2   4.248  21.965   1.090
   14    H    ASN   3           H        ASN   3   1.154  20.386   0.630
   15    HA   ASN   3           HA       ASN   3  -0.305  18.185   1.518
   16    HB2  ASN   3           HB2      ASN   3  -0.164  19.348  -1.276
   17    HB3  ASN   3           HB3      ASN   3  -1.426  18.268  -0.687
   18   HD21  ASN   3          HD21      ASN   3  -2.212  19.214   1.713
   19   HD22  ASN   3          HD22      ASN   3  -2.664  20.851   1.639
   20    H    LYS   4           H        LYS   4   2.568  18.251  -0.426
   21    HA   LYS   4           HA       LYS   4   2.525  16.014  -1.997
   22    HB2  LYS   4           HB2      LYS   4   4.469  17.364  -2.024
   23    HB3  LYS   4           HB3      LYS   4   4.722  17.196  -0.292
   24    HG2  LYS   4           HG2      LYS   4   4.759  14.629  -1.787
   25    HG3  LYS   4           HG3      LYS   4   6.051  15.742  -2.216
   26    HD2  LYS   4           HD2      LYS   4   7.048  15.630  -0.144
   27    HD3  LYS   4           HD3      LYS   4   5.520  15.409   0.704
   28    HE2  LYS   4           HE2      LYS   4   6.870  13.355   0.826
   29    HE3  LYS   4           HE3      LYS   4   5.409  13.070  -0.117
   30    HZ1  LYS   4           HZ1      LYS   4   7.959  12.559  -0.927
   31    HZ2  LYS   4           HZ2      LYS   4   7.590  14.014  -1.718
   32    HZ3  LYS   4           HZ3      LYS   4   6.593  12.652  -1.939
   33    H    PHE   5           H        PHE   5   3.035  16.076   1.517
   34    HA   PHE   5           HA       PHE   5   3.699  13.356   1.843
   35    HB2  PHE   5           HB2      PHE   5   3.474  15.577   3.503
   36    HB3  PHE   5           HB3      PHE   5   2.207  14.505   4.095
   37    HD1  PHE   5           HD1      PHE   5   2.755  12.234   4.916
   38    HD2  PHE   5           HD2      PHE   5   5.824  14.967   3.671
   39    HE1  PHE   5           HE1      PHE   5   4.462  10.805   6.008
   40    HE2  PHE   5           HE2      PHE   5   7.532  13.550   4.771
   41    HZ   PHE   5           HZ       PHE   5   6.854  11.471   5.945
   42    H    ASN   6           H        ASN   6   0.559  14.977   2.367
   43    HA   ASN   6           HA       ASN   6  -0.899  12.602   2.877
   44    HB2  ASN   6           HB2      ASN   6  -1.862  15.314   1.948
   45    HB3  ASN   6           HB3      ASN   6  -2.898  14.033   2.565
   46   HD21  ASN   6          HD21      ASN   6  -1.877  16.857   3.621
   47   HD22  ASN   6          HD22      ASN   6  -1.498  16.510   5.241
   48    H    LYS   7           H        LYS   7  -0.375  14.428  -0.136
   49    HA   LYS   7           HA       LYS   7  -2.308  13.250  -1.741
   50    HB2  LYS   7           HB2      LYS   7   0.384  14.405  -2.370
   51    HB3  LYS   7           HB3      LYS   7  -0.645  13.734  -3.640
   52    HG2  LYS   7           HG2      LYS   7  -2.516  15.189  -2.790
   53    HG3  LYS   7           HG3      LYS   7  -1.361  15.952  -1.701
   54    HD2  LYS   7           HD2      LYS   7  -0.031  16.735  -3.569
   55    HD3  LYS   7           HD3      LYS   7  -1.038  15.845  -4.714
   56    HE2  LYS   7           HE2      LYS   7  -3.011  17.183  -3.845
   57    HE3  LYS   7           HE3      LYS   7  -1.848  18.198  -2.993
   58    HZ1  LYS   7           HZ1      LYS   7  -2.008  17.749  -5.924
   59    HZ2  LYS   7           HZ2      LYS   7  -0.745  18.583  -5.161
   60    HZ3  LYS   7           HZ3      LYS   7  -2.327  19.197  -5.094
   61    H    GLU   8           H        GLU   8   1.144  12.276  -1.869
   62    HA   GLU   8           HA       GLU   8   0.724   9.943  -3.368
   63    HB2  GLU   8           HB2      GLU   8   2.960  10.638  -1.446
   64    HB3  GLU   8           HB3      GLU   8   2.998   9.279  -2.571
   65    HG2  GLU   8           HG2      GLU   8   2.671  10.876  -4.464
   66    HG3  GLU   8           HG3      GLU   8   2.739  12.213  -3.319
   67    H    MET   9           H        MET   9   0.772  10.425   0.138
   68    HA   MET   9           HA       MET   9   0.799   7.725   0.925
   69    HB2  MET   9           HB2      MET   9   1.176   9.697   2.417
   70    HB3  MET   9           HB3      MET   9  -0.557  10.017   2.370
   71    HG2  MET   9           HG2      MET   9  -0.937   7.678   3.243
   72    HG3  MET   9           HG3      MET   9   0.809   7.521   3.434
   73    HE1  MET   9           HE1      MET   9   2.266   8.977   4.782
   74    HE2  MET   9           HE2      MET   9   1.773  10.130   6.029
   75    HE3  MET   9           HE3      MET   9   1.618  10.551   4.326
   76    H    ARG  10           H        ARG  10  -1.992   9.937   0.522
   77    HA   ARG  10           HA       ARG  10  -4.000   8.059   1.099
   78    HB2  ARG  10           HB2      ARG  10  -4.033  10.569  -0.583
   79    HB3  ARG  10           HB3      ARG  10  -5.482   9.618  -0.257
   80    HG2  ARG  10           HG2      ARG  10  -5.125   9.892   2.175
   81    HG3  ARG  10           HG3      ARG  10  -3.678  10.844   1.861
   82    HD2  ARG  10           HD2      ARG  10  -5.115  12.456   0.553
   83    HD3  ARG  10           HD3      ARG  10  -6.527  11.551   1.099
   84    HE   ARG  10           HE       ARG  10  -5.006  12.240   3.364
   85   HH11  ARG  10          HH11      ARG  10  -6.880  13.767   0.865
   86   HH12  ARG  10          HH12      ARG  10  -7.332  15.114   1.852
   87   HH21  ARG  10          HH21      ARG  10  -5.606  14.005   4.637
   88   HH22  ARG  10          HH22      ARG  10  -6.614  15.248   3.978
   89    H    ASN  11           H        ASN  11  -2.340   8.772  -1.956
   90    HA   ASN  11           HA       ASN  11  -4.063   7.366  -3.683
   91    HB2  ASN  11           HB2      ASN  11  -1.112   7.987  -3.849
   92    HB3  ASN  11           HB3      ASN  11  -1.967   7.137  -5.133
   93   HD21  ASN  11          HD21      ASN  11  -0.890  10.144  -4.494
   94   HD22  ASN  11          HD22      ASN  11  -2.118  11.072  -5.211
   95    H    ALA  12           H        ALA  12  -0.917   6.185  -2.366
   96    HA   ALA  12           HA       ALA  12  -1.433   3.498  -3.202
   97    HB1  ALA  12           HB1      ALA  12   0.564   2.880  -1.950
   98    HB2  ALA  12           HB2      ALA  12   0.559   4.443  -1.124
   99    HB3  ALA  12           HB3      ALA  12   0.861   4.361  -2.860
  100    H    TYR  13           H        TYR  13  -2.205   5.278  -0.283
  101    HA   TYR  13           HA       TYR  13  -2.594   3.200   1.555
  102    HB2  TYR  13           HB2      TYR  13  -2.678   5.529   2.236
  103    HB3  TYR  13           HB3      TYR  13  -4.078   5.826   1.214
  104    HD1  TYR  13           HD1      TYR  13  -6.306   4.878   1.822
  105    HD2  TYR  13           HD2      TYR  13  -2.890   4.448   4.396
  106    HE1  TYR  13           HE1      TYR  13  -7.798   4.259   3.699
  107    HE2  TYR  13           HE2      TYR  13  -4.390   3.828   6.273
  108    HH   TYR  13           HH       TYR  13  -7.289   4.467   6.594
  109    H    TRP  14           H        TRP  14  -5.131   4.788  -0.385
  110    HA   TRP  14           HA       TRP  14  -7.128   2.859   0.188
  111    HB2  TRP  14           HB2      TRP  14  -7.519   5.229  -0.509
  112    HB3  TRP  14           HB3      TRP  14  -7.008   4.782  -2.131
  113    HD1  TRP  14           HD1      TRP  14  -9.755   4.027   0.448
  114    HE1  TRP  14           HE1      TRP  14 -11.829   3.134  -0.793
  115    HE3  TRP  14           HE3      TRP  14  -7.877   3.691  -4.295
  116    HZ2  TRP  14           HZ2      TRP  14 -12.594   2.377  -3.439
  117    HZ3  TRP  14           HZ3      TRP  14  -9.304   2.881  -6.154
  118    HH2  TRP  14           HH2      TRP  14 -11.657   2.224  -5.732
  119    H    GLU  15           H        GLU  15  -4.968   3.289  -2.621
  120    HA   GLU  15           HA       GLU  15  -6.132   1.353  -4.288
  121    HB2  GLU  15           HB2      GLU  15  -4.435   3.067  -4.972
  122    HB3  GLU  15           HB3      GLU  15  -3.197   2.087  -4.186
  123    HG2  GLU  15           HG2      GLU  15  -3.769   0.178  -5.661
  124    HG3  GLU  15           HG3      GLU  15  -5.012   1.149  -6.439
  125    H    ILE  16           H        ILE  16  -3.465   0.982  -1.921
  126    HA   ILE  16           HA       ILE  16  -3.013  -1.776  -2.449
  127    HB   ILE  16           HB       ILE  16  -2.443  -0.083   0.004
  128   HG12  ILE  16          HG12      ILE  16  -0.554  -1.197  -2.096
  129   HG13  ILE  16          HG13      ILE  16  -1.263   0.410  -2.208
  130   HG21  ILE  16          HG21      ILE  16  -0.784  -2.027   0.473
  131   HG22  ILE  16          HG22      ILE  16  -1.805  -2.979  -0.603
  132   HG23  ILE  16          HG23      ILE  16  -2.480  -2.289   0.873
  133   HD11  ILE  16          HD11      ILE  16   0.563  -0.636  -0.029
  134   HD12  ILE  16          HD12      ILE  16  -0.295   0.901   0.080
  135   HD13  ILE  16          HD13      ILE  16   0.908   0.649  -1.183
  136    H    ALA  17           H        ALA  17  -4.951  -0.117   0.039
  137    HA   ALA  17           HA       ALA  17  -5.895  -2.377   1.397
  138    HB1  ALA  17           HB1      ALA  17  -6.131  -0.069   2.233
  139    HB2  ALA  17           HB2      ALA  17  -7.679  -0.914   2.227
  140    HB3  ALA  17           HB3      ALA  17  -7.313   0.266   0.967
  141    H    LEU  18           H        LEU  18  -6.916  -0.959  -1.635
  142    HA   LEU  18           HA       LEU  18  -9.491  -2.026  -1.883
  143    HB2  LEU  18           HB2      LEU  18  -8.451  -0.312  -3.394
  144    HB3  LEU  18           HB3      LEU  18  -7.505  -1.603  -4.130
  145    HG   LEU  18           HG       LEU  18  -9.682  -2.783  -4.674
  146   HD11  LEU  18          HD11      LEU  18 -11.254  -1.839  -3.166
  147   HD12  LEU  18          HD12      LEU  18 -11.687  -1.154  -4.729
  148   HD13  LEU  18          HD13      LEU  18 -10.777  -0.189  -3.567
  149   HD21  LEU  18          HD21      LEU  18 -10.223  -1.283  -6.576
  150   HD22  LEU  18          HD22      LEU  18  -8.481  -1.468  -6.371
  151   HD23  LEU  18          HD23      LEU  18  -9.283   0.003  -5.818
  152    H    LEU  19           H        LEU  19  -6.330  -3.526  -2.525
  153    HA   LEU  19           HA       LEU  19  -7.282  -5.806  -3.912
  154    HB2  LEU  19           HB2      LEU  19  -4.785  -5.053  -2.485
  155    HB3  LEU  19           HB3      LEU  19  -5.058  -6.770  -2.735
  156    HG   LEU  19           HG       LEU  19  -4.993  -6.575  -5.078
  157   HD11  LEU  19          HD11      LEU  19  -6.544  -4.818  -5.543
  158   HD12  LEU  19          HD12      LEU  19  -5.007  -4.287  -6.222
  159   HD13  LEU  19          HD13      LEU  19  -5.565  -3.627  -4.684
  160   HD21  LEU  19          HD21      LEU  19  -2.791  -6.062  -3.938
  161   HD22  LEU  19          HD22      LEU  19  -3.126  -4.353  -4.206
  162   HD23  LEU  19          HD23      LEU  19  -2.930  -5.439  -5.580
  163    HA   PRO  20           HA       PRO  20  -9.265  -7.687  -0.324
  164    HB2  PRO  20           HB2      PRO  20 -10.784  -9.445  -1.615
  165    HB3  PRO  20           HB3      PRO  20 -11.035  -7.701  -1.842
  166    HG2  PRO  20           HG2      PRO  20  -9.576  -9.633  -3.600
  167    HG3  PRO  20           HG3      PRO  20 -10.751  -8.385  -4.044
  168    HD2  PRO  20           HD2      PRO  20  -8.001  -8.058  -4.181
  169    HD3  PRO  20           HD3      PRO  20  -9.169  -6.723  -4.046
  170    H    ASN  21           H        ASN  21  -7.246  -9.559  -2.567
  171    HA   ASN  21           HA       ASN  21  -7.475 -11.969  -0.945
  172    HB2  ASN  21           HB2      ASN  21  -6.047 -12.993  -2.673
  173    HB3  ASN  21           HB3      ASN  21  -7.470 -12.210  -3.351
  174   HD21  ASN  21          HD21      ASN  21  -5.665 -12.497  -5.235
  175   HD22  ASN  21          HD22      ASN  21  -4.753 -11.090  -5.509
  176    H    LEU  22           H        LEU  22  -5.649  -9.226  -0.567
  177    HA   LEU  22           HA       LEU  22  -3.107 -10.419   0.062
  178    HB2  LEU  22           HB2      LEU  22  -4.224  -7.782   1.044
  179    HB3  LEU  22           HB3      LEU  22  -2.544  -8.309   1.152
  180    HG   LEU  22           HG       LEU  22  -3.897  -8.152  -1.529
  181   HD11  LEU  22          HD11      LEU  22  -2.606  -5.897   0.051
  182   HD12  LEU  22          HD12      LEU  22  -4.263  -5.947  -0.549
  183   HD13  LEU  22          HD13      LEU  22  -2.917  -5.826  -1.682
  184   HD21  LEU  22          HD21      LEU  22  -1.028  -7.646  -0.677
  185   HD22  LEU  22          HD22      LEU  22  -1.634  -7.929  -2.310
  186   HD23  LEU  22          HD23      LEU  22  -1.625  -9.242  -1.139
  187    H    ASN  23           H        ASN  23  -2.350 -11.178   1.969
  188    HA   ASN  23           HA       ASN  23  -4.127 -12.164   3.935
  189    HB2  ASN  23           HB2      ASN  23  -1.800 -13.009   3.557
  190    HB3  ASN  23           HB3      ASN  23  -1.187 -11.551   4.330
  191   HD21  ASN  23          HD21      ASN  23  -3.150 -14.477   4.941
  192   HD22  ASN  23          HD22      ASN  23  -2.947 -14.448   6.628
  193    H    ASN  24           H        ASN  24  -4.730 -11.437   5.978
  194    HA   ASN  24           HA       ASN  24  -5.322  -8.780   6.376
  195    HB2  ASN  24           HB2      ASN  24  -4.830 -10.888   8.496
  196    HB3  ASN  24           HB3      ASN  24  -5.657  -9.358   8.768
  197   HD21  ASN  24          HD21      ASN  24  -7.438  -9.058   6.767
  198   HD22  ASN  24          HD22      ASN  24  -8.468 -10.402   6.621
  199    H    GLN  25           H        GLN  25  -2.428 -10.493   7.562
  200    HA   GLN  25           HA       GLN  25  -1.385  -8.285   9.039
  201    HB2  GLN  25           HB2      GLN  25  -0.031 -10.743   7.894
  202    HB3  GLN  25           HB3      GLN  25   0.761  -9.585   8.964
  203    HG2  GLN  25           HG2      GLN  25  -0.988 -10.010  10.684
  204    HG3  GLN  25           HG3      GLN  25  -1.711 -11.220   9.625
  205   HE21  GLN  25          HE21      GLN  25  -0.793 -13.319   9.653
  206   HE22  GLN  25          HE22      GLN  25   0.605 -13.723  10.525
  207    H    GLN  26           H        GLN  26  -0.860  -9.461   5.736
  208    HA   GLN  26           HA       GLN  26   1.251  -7.726   5.043
  209    HB2  GLN  26           HB2      GLN  26  -0.822  -9.112   3.334
  210    HB3  GLN  26           HB3      GLN  26   0.568  -8.243   2.680
  211    HG2  GLN  26           HG2      GLN  26   2.105  -9.712   3.906
  212    HG3  GLN  26           HG3      GLN  26   0.749 -10.557   4.642
  213   HE21  GLN  26          HE21      GLN  26  -0.956 -10.875   2.390
  214   HE22  GLN  26          HE22      GLN  26  -0.179 -11.877   1.258
  215    H    LYS  27           H        LYS  27  -2.278  -7.284   4.835
  216    HA   LYS  27           HA       LYS  27  -2.301  -4.947   3.261
  217    HB2  LYS  27           HB2      LYS  27  -4.186  -5.889   5.434
  218    HB3  LYS  27           HB3      LYS  27  -4.492  -4.464   4.443
  219    HG2  LYS  27           HG2      LYS  27  -4.377  -5.862   2.400
  220    HG3  LYS  27           HG3      LYS  27  -4.085  -7.286   3.398
  221    HD2  LYS  27           HD2      LYS  27  -6.422  -7.330   2.959
  222    HD3  LYS  27           HD3      LYS  27  -6.278  -6.708   4.602
  223    HE2  LYS  27           HE2      LYS  27  -7.492  -4.917   3.948
  224    HE3  LYS  27           HE3      LYS  27  -6.125  -4.424   2.954
  225    HZ1  LYS  27           HZ1      LYS  27  -8.492  -6.010   2.167
  226    HZ2  LYS  27           HZ2      LYS  27  -7.070  -6.029   1.239
  227    HZ3  LYS  27           HZ3      LYS  27  -7.906  -4.568   1.481
  228    H    ARG  28           H        ARG  28  -2.611  -5.146   6.812
  229    HA   ARG  28           HA       ARG  28  -2.272  -2.382   7.287
  230    HB2  ARG  28           HB2      ARG  28  -1.786  -4.756   9.108
  231    HB3  ARG  28           HB3      ARG  28  -1.799  -3.077   9.645
  232    HG2  ARG  28           HG2      ARG  28  -4.136  -2.865   8.725
  233    HG3  ARG  28           HG3      ARG  28  -4.110  -4.595   8.386
  234    HD2  ARG  28           HD2      ARG  28  -3.776  -3.316  11.120
  235    HD3  ARG  28           HD3      ARG  28  -5.217  -4.145  10.544
  236    HE   ARG  28           HE       ARG  28  -2.803  -5.375  11.538
  237   HH11  ARG  28          HH11      ARG  28  -5.534  -5.779   9.424
  238   HH12  ARG  28          HH12      ARG  28  -5.484  -7.507   9.485
  239   HH21  ARG  28          HH21      ARG  28  -2.758  -7.626  11.611
  240   HH22  ARG  28          HH22      ARG  28  -3.922  -8.547  10.721
  241    H    ALA  29           H        ALA  29   0.051  -5.014   6.975
  242    HA   ALA  29           HA       ALA  29   2.313  -3.804   8.089
  243    HB1  ALA  29           HB1      ALA  29   3.600  -5.346   6.573
  244    HB2  ALA  29           HB2      ALA  29   2.066  -5.805   5.837
  245    HB3  ALA  29           HB3      ALA  29   2.361  -6.138   7.543
  246    H    PHE  30           H        PHE  30   1.222  -3.743   4.656
  247    HA   PHE  30           HA       PHE  30   3.379  -2.205   3.699
  248    HB2  PHE  30           HB2      PHE  30   0.568  -2.619   2.705
  249    HB3  PHE  30           HB3      PHE  30   1.646  -1.486   1.896
  250    HD1  PHE  30           HD1      PHE  30   4.176  -2.509   1.647
  251    HD2  PHE  30           HD2      PHE  30   0.529  -4.779   1.781
  252    HE1  PHE  30           HE1      PHE  30   5.297  -4.372   0.466
  253    HE2  PHE  30           HE2      PHE  30   1.652  -6.642   0.600
  254    HZ   PHE  30           HZ       PHE  30   4.040  -6.438  -0.062
  255    H    ILE  31           H        ILE  31   0.073  -1.001   4.385
  256    HA   ILE  31           HA       ILE  31   0.604   1.697   4.083
  257    HB   ILE  31           HB       ILE  31  -1.443   0.303   5.822
  258   HG12  ILE  31          HG12      ILE  31  -1.560   1.670   3.099
  259   HG13  ILE  31          HG13      ILE  31  -1.624  -0.065   3.380
  260   HG21  ILE  31          HG21      ILE  31  -1.097   3.252   5.182
  261   HG22  ILE  31          HG22      ILE  31  -1.166   2.505   6.778
  262   HG23  ILE  31          HG23      ILE  31  -2.607   2.561   5.773
  263   HD11  ILE  31          HD11      ILE  31  -3.812   1.683   3.217
  264   HD12  ILE  31          HD12      ILE  31  -3.668   1.317   4.938
  265   HD13  ILE  31          HD13      ILE  31  -3.843   0.009   3.772
  266    H    ARG  32           H        ARG  32   0.953  -0.240   7.087
  267    HA   ARG  32           HA       ARG  32   1.603   1.938   8.782
  268    HB2  ARG  32           HB2      ARG  32   2.298  -1.002   8.908
  269    HB3  ARG  32           HB3      ARG  32   2.803   0.140  10.154
  270    HG2  ARG  32           HG2      ARG  32   0.471   0.757  10.585
  271    HG3  ARG  32           HG3      ARG  32  -0.079  -0.300   9.289
  272    HD2  ARG  32           HD2      ARG  32  -0.372  -1.474  11.384
  273    HD3  ARG  32           HD3      ARG  32   0.962  -2.236  10.521
  274    HE   ARG  32           HE       ARG  32   2.052  -0.252  12.177
  275   HH11  ARG  32          HH11      ARG  32   0.315  -3.249  12.469
  276   HH12  ARG  32          HH12      ARG  32   1.016  -3.652  13.999
  277   HH21  ARG  32          HH21      ARG  32   2.956  -0.793  14.171
  278   HH22  ARG  32          HH22      ARG  32   2.505  -2.267  14.958
  279    H    SER  33           H        SER  33   3.674  -0.242   6.866
  280    HA   SER  33           HA       SER  33   6.155   0.953   7.579
  281    HB2  SER  33           HB2      SER  33   5.434  -0.528   5.033
  282    HB3  SER  33           HB3      SER  33   7.062  -0.222   5.628
  283    HG   SER  33           HG       SER  33   5.026  -1.848   6.739
  284    H    LEU  34           H        LEU  34   3.718   1.631   5.166
  285    HA   LEU  34           HA       LEU  34   5.112   3.419   3.497
  286    HB2  LEU  34           HB2      LEU  34   2.677   2.317   3.415
  287    HB3  LEU  34           HB3      LEU  34   2.215   3.861   4.109
  288    HG   LEU  34           HG       LEU  34   4.024   3.915   1.728
  289   HD11  LEU  34          HD11      LEU  34   2.287   3.500   0.158
  290   HD12  LEU  34          HD12      LEU  34   1.035   3.567   1.400
  291   HD13  LEU  34          HD13      LEU  34   2.138   2.191   1.334
  292   HD21  LEU  34          HD21      LEU  34   1.617   5.567   2.590
  293   HD22  LEU  34          HD22      LEU  34   2.680   5.932   1.233
  294   HD23  LEU  34          HD23      LEU  34   3.302   6.002   2.881
  295    H    TYR  35           H        TYR  35   3.196   3.924   6.442
  296    HA   TYR  35           HA       TYR  35   3.361   6.746   6.554
  297    HB2  TYR  35           HB2      TYR  35   1.797   5.344   7.918
  298    HB3  TYR  35           HB3      TYR  35   3.171   4.807   8.882
  299    HD1  TYR  35           HD1      TYR  35   1.097   7.738   7.942
  300    HD2  TYR  35           HD2      TYR  35   4.214   6.267  10.515
  301    HE1  TYR  35           HE1      TYR  35   0.918   9.782   9.334
  302    HE2  TYR  35           HE2      TYR  35   4.031   8.314  11.902
  303    HH   TYR  35           HH       TYR  35   3.060  10.919  11.215
  304    H    ASP  36           H        ASP  36   5.435   4.160   7.801
  305    HA   ASP  36           HA       ASP  36   7.239   5.760   9.275
  306    HB2  ASP  36           HB2      ASP  36   7.069   3.265   9.410
  307    HB3  ASP  36           HB3      ASP  36   7.860   3.165   7.838
  308    H    ASP  37           H        ASP  37   7.141   4.855   5.845
  309    HA   ASP  37           HA       ASP  37   8.974   7.031   5.213
  310    HB2  ASP  37           HB2      ASP  37  10.028   4.449   5.514
  311    HB3  ASP  37           HB3      ASP  37   9.866   4.652   3.777
  312    HA   PRO  38           HA       PRO  38   5.629   6.687   2.050
  313    HB2  PRO  38           HB2      PRO  38   5.931   9.287   1.144
  314    HB3  PRO  38           HB3      PRO  38   4.883   8.815   2.495
  315    HG2  PRO  38           HG2      PRO  38   7.628   9.969   2.543
  316    HG3  PRO  38           HG3      PRO  38   6.234  10.318   3.578
  317    HD2  PRO  38           HD2      PRO  38   8.260   8.746   4.422
  318    HD3  PRO  38           HD3      PRO  38   6.581   8.444   4.917
  319    H    SER  39           H        SER  39   8.975   7.437   1.914
  320    HA   SER  39           HA       SER  39   9.445   7.868  -0.812
  321    HB2  SER  39           HB2      SER  39  11.276   6.319   1.030
  322    HB3  SER  39           HB3      SER  39  11.723   7.300  -0.362
  323    HG   SER  39           HG       SER  39  11.268   8.027   2.216
  324    H    GLN  40           H        GLN  40   8.855   4.897   0.991
  325    HA   GLN  40           HA       GLN  40   9.506   3.184  -1.273
  326    HB2  GLN  40           HB2      GLN  40   8.344   2.461   1.432
  327    HB3  GLN  40           HB3      GLN  40   9.032   1.348   0.261
  328    HG2  GLN  40           HG2      GLN  40  10.532   3.560   1.678
  329    HG3  GLN  40           HG3      GLN  40  10.634   1.850   2.068
  330   HE21  GLN  40          HE21      GLN  40  12.363   4.179   0.512
  331   HE22  GLN  40          HE22      GLN  40  13.124   3.233  -0.677
  332    H    SER  41           H        SER  41   6.838   5.023  -0.397
  333    HA   SER  41           HA       SER  41   4.602   3.438  -0.566
  334    HB2  SER  41           HB2      SER  41   4.561   5.893  -0.228
  335    HB3  SER  41           HB3      SER  41   4.923   6.121  -1.937
  336    HG   SER  41           HG       SER  41   2.958   4.633  -2.149
  337    H    ALA  42           H        ALA  42   6.605   4.535  -3.281
  338    HA   ALA  42           HA       ALA  42   4.927   3.538  -5.350
  339    HB1  ALA  42           HB1      ALA  42   6.943   3.716  -6.767
  340    HB2  ALA  42           HB2      ALA  42   7.932   3.966  -5.327
  341    HB3  ALA  42           HB3      ALA  42   6.722   5.165  -5.786
  342    H    ASN  43           H        ASN  43   7.705   2.183  -3.601
  343    HA   ASN  43           HA       ASN  43   7.788  -0.303  -4.988
  344    HB2  ASN  43           HB2      ASN  43   8.787   0.370  -2.206
  345    HB3  ASN  43           HB3      ASN  43   9.222  -1.056  -3.137
  346   HD21  ASN  43          HD21      ASN  43  11.179   0.777  -2.219
  347   HD22  ASN  43          HD22      ASN  43  11.863   1.565  -3.562
  348    H    LEU  44           H        LEU  44   6.403   0.637  -1.822
  349    HA   LEU  44           HA       LEU  44   5.472  -1.894  -1.056
  350    HB2  LEU  44           HB2      LEU  44   4.223   0.771  -0.440
  351    HB3  LEU  44           HB3      LEU  44   3.945  -0.707   0.445
  352    HG   LEU  44           HG       LEU  44   6.464   0.982   0.353
  353   HD11  LEU  44          HD11      LEU  44   4.691   1.455   2.039
  354   HD12  LEU  44          HD12      LEU  44   6.229   0.980   2.759
  355   HD13  LEU  44          HD13      LEU  44   4.903  -0.179   2.668
  356   HD21  LEU  44          HD21      LEU  44   7.353  -1.227   0.063
  357   HD22  LEU  44          HD22      LEU  44   6.208  -1.913   1.217
  358   HD23  LEU  44          HD23      LEU  44   7.503  -0.855   1.778
  359    H    LEU  45           H        LEU  45   3.874   0.659  -2.957
  360    HA   LEU  45           HA       LEU  45   1.338  -0.557  -3.206
  361    HB2  LEU  45           HB2      LEU  45   1.518   1.728  -3.821
  362    HB3  LEU  45           HB3      LEU  45   2.873   1.413  -4.893
  363    HG   LEU  45           HG       LEU  45   1.358   0.162  -6.428
  364   HD11  LEU  45          HD11      LEU  45  -0.284  -0.519  -4.626
  365   HD12  LEU  45          HD12      LEU  45  -1.030   0.121  -6.085
  366   HD13  LEU  45          HD13      LEU  45  -0.897   1.134  -4.646
  367   HD21  LEU  45          HD21      LEU  45   0.175   2.096  -7.306
  368   HD22  LEU  45          HD22      LEU  45   1.742   2.620  -6.692
  369   HD23  LEU  45          HD23      LEU  45   0.282   2.917  -5.748
  370    H    ALA  46           H        ALA  46   4.190  -0.655  -5.290
  371    HA   ALA  46           HA       ALA  46   3.161  -2.448  -7.246
  372    HB1  ALA  46           HB1      ALA  46   6.042  -2.046  -6.380
  373    HB2  ALA  46           HB2      ALA  46   5.197  -1.074  -7.585
  374    HB3  ALA  46           HB3      ALA  46   5.503  -2.783  -7.891
  375    H    GLU  47           H        GLU  47   5.019  -2.927  -4.283
  376    HA   GLU  47           HA       GLU  47   5.389  -5.716  -4.420
  377    HB2  GLU  47           HB2      GLU  47   5.296  -3.722  -2.149
  378    HB3  GLU  47           HB3      GLU  47   5.520  -5.454  -1.856
  379    HG2  GLU  47           HG2      GLU  47   7.260  -3.863  -3.767
  380    HG3  GLU  47           HG3      GLU  47   7.683  -4.116  -2.083
  381    H    ALA  48           H        ALA  48   2.720  -3.747  -3.192
  382    HA   ALA  48           HA       ALA  48   1.280  -5.839  -1.921
  383    HB1  ALA  48           HB1      ALA  48   0.794  -3.456  -1.513
  384    HB2  ALA  48           HB2      ALA  48  -0.648  -4.309  -2.062
  385    HB3  ALA  48           HB3      ALA  48   0.245  -3.279  -3.180
  386    H    LYS  49           H        LYS  49   1.184  -4.445  -5.175
  387    HA   LYS  49           HA       LYS  49  -0.924  -6.015  -6.207
  388    HB2  LYS  49           HB2      LYS  49   0.478  -3.926  -7.179
  389    HB3  LYS  49           HB3      LYS  49   1.294  -5.232  -8.037
  390    HG2  LYS  49           HG2      LYS  49  -1.071  -6.069  -8.659
  391    HG3  LYS  49           HG3      LYS  49  -1.640  -4.498  -8.106
  392    HD2  LYS  49           HD2      LYS  49   0.321  -3.625  -9.702
  393    HD3  LYS  49           HD3      LYS  49   0.033  -5.176 -10.492
  394    HE2  LYS  49           HE2      LYS  49  -2.430  -4.570 -10.567
  395    HE3  LYS  49           HE3      LYS  49  -1.976  -2.954 -10.013
  396    HZ1  LYS  49           HZ1      LYS  49  -1.074  -4.303 -12.503
  397    HZ2  LYS  49           HZ2      LYS  49  -0.468  -2.819 -11.947
  398    HZ3  LYS  49           HZ3      LYS  49  -2.103  -2.955 -12.389
  399    H    LYS  50           H        LYS  50   2.539  -6.563  -5.875
  400    HA   LYS  50           HA       LYS  50   2.821  -8.850  -7.490
  401    HB2  LYS  50           HB2      LYS  50   4.663  -7.468  -6.456
  402    HB3  LYS  50           HB3      LYS  50   4.305  -8.251  -4.921
  403    HG2  LYS  50           HG2      LYS  50   4.855 -10.433  -5.822
  404    HG3  LYS  50           HG3      LYS  50   5.006  -9.772  -7.450
  405    HD2  LYS  50           HD2      LYS  50   7.244  -9.956  -6.668
  406    HD3  LYS  50           HD3      LYS  50   6.842  -8.248  -6.494
  407    HE2  LYS  50           HE2      LYS  50   6.277  -8.662  -4.094
  408    HE3  LYS  50           HE3      LYS  50   6.789 -10.338  -4.290
  409    HZ1  LYS  50           HZ1      LYS  50   8.933  -9.196  -5.214
  410    HZ2  LYS  50           HZ2      LYS  50   8.710  -9.389  -3.543
  411    HZ3  LYS  50           HZ3      LYS  50   8.399  -7.884  -4.273
  412    H    LEU  51           H        LEU  51   2.028  -8.487  -4.031
  413    HA   LEU  51           HA       LEU  51   1.824 -11.272  -3.481
  414    HB2  LEU  51           HB2      LEU  51   0.969  -8.761  -2.092
  415    HB3  LEU  51           HB3      LEU  51   0.297 -10.290  -1.529
  416    HG   LEU  51           HG       LEU  51   3.277  -9.942  -1.961
  417   HD11  LEU  51          HD11      LEU  51   3.333  -9.583   0.577
  418   HD12  LEU  51          HD12      LEU  51   1.617  -9.194   0.455
  419   HD13  LEU  51          HD13      LEU  51   2.807  -8.217  -0.402
  420   HD21  LEU  51          HD21      LEU  51   3.277 -11.751  -0.159
  421   HD22  LEU  51          HD22      LEU  51   2.596 -12.238  -1.709
  422   HD23  LEU  51          HD23      LEU  51   1.529 -11.843  -0.362
  423    H    ASN  52           H        ASN  52  -0.518  -8.819  -4.494
  424    HA   ASN  52           HA       ASN  52  -2.857 -10.393  -4.324
  425    HB2  ASN  52           HB2      ASN  52  -3.116  -8.050  -4.613
  426    HB3  ASN  52           HB3      ASN  52  -2.083  -8.021  -6.034
  427   HD21  ASN  52          HD21      ASN  52  -5.299  -9.045  -4.872
  428   HD22  ASN  52          HD22      ASN  52  -6.008  -9.125  -6.414
  429    H    ASP  53           H        ASP  53  -0.630  -9.801  -7.038
  430    HA   ASP  53           HA       ASP  53  -1.952 -11.422  -8.937
  431    HB2  ASP  53           HB2      ASP  53  -0.203  -9.726  -9.448
  432    HB3  ASP  53           HB3      ASP  53   1.010 -10.797  -8.779
  433    H    ALA  54           H        ALA  54   0.557 -12.155  -6.553
  434    HA   ALA  54           HA       ALA  54   1.033 -14.798  -7.519
  435    HB1  ALA  54           HB1      ALA  54   2.351 -15.063  -5.435
  436    HB2  ALA  54           HB2      ALA  54   1.734 -13.510  -4.872
  437    HB3  ALA  54           HB3      ALA  54   2.760 -13.584  -6.305
  438    H    GLN  55           H        GLN  55  -0.654 -13.569  -4.613
  439    HA   GLN  55           HA       GLN  55  -1.503 -16.112  -3.679
  440    HB2  GLN  55           HB2      GLN  55  -2.609 -13.344  -3.094
  441    HB3  GLN  55           HB3      GLN  55  -3.072 -14.814  -2.240
  442    HG2  GLN  55           HG2      GLN  55  -0.903 -15.102  -1.323
  443    HG3  GLN  55           HG3      GLN  55  -0.177 -13.967  -2.461
  444   HE21  GLN  55          HE21      GLN  55  -1.704 -11.733  -2.326
  445   HE22  GLN  55          HE22      GLN  55  -1.792 -11.125  -0.747
  446    H    ALA  56           H        ALA  56  -2.865 -13.914  -6.039
  447    HA   ALA  56           HA       ALA  56  -5.539 -14.644  -6.031
  448    HB1  ALA  56           HB1      ALA  56  -5.368 -14.160  -8.580
  449    HB2  ALA  56           HB2      ALA  56  -3.696 -13.727  -8.217
  450    HB3  ALA  56           HB3      ALA  56  -5.021 -12.861  -7.438
  451    HA   PRO  57           HA       PRO  57  -5.671 -18.892  -7.247
  452    HB2  PRO  57           HB2      PRO  57  -8.120 -18.897  -8.564
  453    HB3  PRO  57           HB3      PRO  57  -7.912 -19.002  -6.807
  454    HG2  PRO  57           HG2      PRO  57  -8.619 -16.662  -8.491
  455    HG3  PRO  57           HG3      PRO  57  -9.178 -17.099  -6.869
  456    HD2  PRO  57           HD2      PRO  57  -7.319 -15.161  -7.310
  457    HD3  PRO  57           HD3      PRO  57  -7.340 -16.150  -5.833
  458    H    LYS  58           H        LYS  58  -5.986 -20.279  -9.195
  459    HA   LYS  58           HA       LYS  58  -5.567 -20.926 -11.321
  460    HB2  LYS  58           HB2      LYS  58  -7.256 -19.050 -11.814
  461    HB3  LYS  58           HB3      LYS  58  -5.855 -18.072 -12.254
  462    HG2  LYS  58           HG2      LYS  58  -5.169 -19.744 -13.907
  463    HG3  LYS  58           HG3      LYS  58  -6.501 -20.790 -13.422
  464    HD2  LYS  58           HD2      LYS  58  -7.233 -19.658 -15.411
  465    HD3  LYS  58           HD3      LYS  58  -8.086 -18.905 -14.066
  466    HE2  LYS  58           HE2      LYS  58  -7.225 -17.187 -15.600
  467    HE3  LYS  58           HE3      LYS  58  -6.410 -17.069 -14.043
  468    HZ1  LYS  58           HZ1      LYS  58  -5.229 -18.764 -16.127
  469    HZ2  LYS  58           HZ2      LYS  58  -4.467 -17.885 -14.892
  470    HZ3  LYS  58           HZ3      LYS  58  -5.062 -17.079 -16.265
  Start of MODEL   11
    1    H    VAL   1           H        VAL   1   7.179  20.121  -2.953
    2    HA   VAL   1           HA       VAL   1   5.137  20.016  -1.849
    3    HB   VAL   1           HB       VAL   1   7.266  19.305   0.204
    4   HG11  VAL   1          HG11      VAL   1   4.494  18.167  -0.305
    5   HG12  VAL   1          HG12      VAL   1   4.928  19.229   1.033
    6   HG13  VAL   1          HG13      VAL   1   5.628  17.616   0.927
    7   HG21  VAL   1          HG21      VAL   1   7.153  17.032  -0.899
    8   HG22  VAL   1          HG22      VAL   1   7.871  18.281  -1.916
    9   HG23  VAL   1          HG23      VAL   1   6.208  17.765  -2.196
   10    H    ASP   2           H        ASP   2   3.738  21.428  -0.980
   11    HA   ASP   2           HA       ASP   2   4.601  23.689   0.556
   12    HB2  ASP   2           HB2      ASP   2   2.673  23.768  -1.004
   13    HB3  ASP   2           HB3      ASP   2   1.787  22.669   0.051
   14    H    ASN   3           H        ASN   3   2.032  21.378   1.478
   15    HA   ASN   3           HA       ASN   3   2.779  21.680   4.292
   16    HB2  ASN   3           HB2      ASN   3   0.446  20.209   3.030
   17    HB3  ASN   3           HB3      ASN   3   0.674  20.502   4.752
   18   HD21  ASN   3          HD21      ASN   3   1.293  23.119   5.023
   19   HD22  ASN   3          HD22      ASN   3   0.140  24.125   4.283
   20    H    LYS   4           H        LYS   4   1.949  18.902   2.182
   21    HA   LYS   4           HA       LYS   4   4.262  17.383   2.908
   22    HB2  LYS   4           HB2      LYS   4   2.890  17.240   5.025
   23    HB3  LYS   4           HB3      LYS   4   1.635  16.433   4.095
   24    HG2  LYS   4           HG2      LYS   4   2.893  14.676   5.088
   25    HG3  LYS   4           HG3      LYS   4   3.447  14.730   3.417
   26    HD2  LYS   4           HD2      LYS   4   5.427  16.013   4.069
   27    HD3  LYS   4           HD3      LYS   4   4.848  16.114   5.732
   28    HE2  LYS   4           HE2      LYS   4   4.965  13.638   5.908
   29    HE3  LYS   4           HE3      LYS   4   5.593  13.565   4.260
   30    HZ1  LYS   4           HZ1      LYS   4   7.360  15.178   5.124
   31    HZ2  LYS   4           HZ2      LYS   4   7.486  13.547   5.575
   32    HZ3  LYS   4           HZ3      LYS   4   6.869  14.686   6.675
   33    H    PHE   5           H        PHE   5   4.524  15.612   1.555
   34    HA   PHE   5           HA       PHE   5   2.720  15.446  -0.716
   35    HB2  PHE   5           HB2      PHE   5   4.429  13.974  -1.703
   36    HB3  PHE   5           HB3      PHE   5   5.136  15.473  -1.116
   37    HD1  PHE   5           HD1      PHE   5   6.346  15.485   1.121
   38    HD2  PHE   5           HD2      PHE   5   5.120  11.844  -0.814
   39    HE1  PHE   5           HE1      PHE   5   7.913  14.199   2.541
   40    HE2  PHE   5           HE2      PHE   5   6.689  10.563   0.609
   41    HZ   PHE   5           HZ       PHE   5   8.088  11.741   2.286
   42    H    ASN   6           H        ASN   6   1.359  14.631   1.503
   43    HA   ASN   6           HA       ASN   6   1.409  11.727   1.672
   44    HB2  ASN   6           HB2      ASN   6  -0.334  11.983   3.352
   45    HB3  ASN   6           HB3      ASN   6   0.989  13.098   3.683
   46   HD21  ASN   6          HD21      ASN   6   0.631  15.387   2.654
   47   HD22  ASN   6          HD22      ASN   6  -0.948  16.002   2.739
   48    H    LYS   7           H        LYS   7   0.130  13.811  -0.578
   49    HA   LYS   7           HA       LYS   7  -2.505  12.886  -0.976
   50    HB2  LYS   7           HB2      LYS   7  -0.496  13.874  -3.025
   51    HB3  LYS   7           HB3      LYS   7  -2.227  13.693  -3.309
   52    HG2  LYS   7           HG2      LYS   7  -1.010  15.471  -1.165
   53    HG3  LYS   7           HG3      LYS   7  -1.578  16.040  -2.734
   54    HD2  LYS   7           HD2      LYS   7  -3.846  15.024  -2.155
   55    HD3  LYS   7           HD3      LYS   7  -3.233  14.790  -0.520
   56    HE2  LYS   7           HE2      LYS   7  -3.276  17.471  -1.929
   57    HE3  LYS   7           HE3      LYS   7  -4.533  16.918  -0.824
   58    HZ1  LYS   7           HZ1      LYS   7  -2.929  16.742   0.929
   59    HZ2  LYS   7           HZ2      LYS   7  -2.830  18.300   0.264
   60    HZ3  LYS   7           HZ3      LYS   7  -1.656  17.135  -0.125
   61    H    GLU   8           H        GLU   8   0.581  11.753  -2.327
   62    HA   GLU   8           HA       GLU   8  -0.460   9.677  -3.939
   63    HB2  GLU   8           HB2      GLU   8   1.855  10.602  -4.112
   64    HB3  GLU   8           HB3      GLU   8   2.255   9.805  -2.590
   65    HG2  GLU   8           HG2      GLU   8   1.673   7.607  -3.609
   66    HG3  GLU   8           HG3      GLU   8   1.331   8.422  -5.134
   67    H    MET   9           H        MET   9   0.445   9.844  -0.538
   68    HA   MET   9           HA       MET   9   0.412   7.084   0.064
   69    HB2  MET   9           HB2      MET   9  -0.278   9.424   1.870
   70    HB3  MET   9           HB3      MET   9   0.121   7.795   2.402
   71    HG2  MET   9           HG2      MET   9   2.351   7.991   1.384
   72    HG3  MET   9           HG3      MET   9   1.959   9.608   0.808
   73    HE1  MET   9           HE1      MET   9   4.465  10.551   3.467
   74    HE2  MET   9           HE2      MET   9   3.701  11.091   1.962
   75    HE3  MET   9           HE3      MET   9   4.415   9.476   2.069
   76    H    ARG  10           H        ARG  10  -2.152   9.548   0.034
   77    HA   ARG  10           HA       ARG  10  -4.223   7.943   1.117
   78    HB2  ARG  10           HB2      ARG  10  -4.390  10.262  -0.837
   79    HB3  ARG  10           HB3      ARG  10  -5.763   9.566   0.022
   80    HG2  ARG  10           HG2      ARG  10  -4.692  10.140   2.186
   81    HG3  ARG  10           HG3      ARG  10  -3.343  10.864   1.318
   82    HD2  ARG  10           HD2      ARG  10  -5.175  12.301   0.136
   83    HD3  ARG  10           HD3      ARG  10  -6.197  11.811   1.488
   84    HE   ARG  10           HE       ARG  10  -3.707  12.803   2.453
   85   HH11  ARG  10          HH11      ARG  10  -6.702  13.841   1.020
   86   HH12  ARG  10          HH12      ARG  10  -6.624  15.428   1.705
   87   HH21  ARG  10          HH21      ARG  10  -3.615  14.873   3.325
   88   HH22  ARG  10          HH22      ARG  10  -4.884  16.011   3.007
   89    H    ASN  11           H        ASN  11  -3.078   8.493  -2.198
   90    HA   ASN  11           HA       ASN  11  -5.074   6.994  -3.532
   91    HB2  ASN  11           HB2      ASN  11  -3.488   8.579  -4.634
   92    HB3  ASN  11           HB3      ASN  11  -2.199   7.401  -4.398
   93   HD21  ASN  11          HD21      ASN  11  -5.498   7.622  -5.838
   94   HD22  ASN  11          HD22      ASN  11  -5.169   6.549  -7.113
   95    H    ALA  12           H        ALA  12  -1.785   6.035  -2.467
   96    HA   ALA  12           HA       ALA  12  -2.046   3.321  -3.300
   97    HB1  ALA  12           HB1      ALA  12  -0.177   4.476  -1.209
   98    HB2  ALA  12           HB2      ALA  12   0.151   4.403  -2.940
   99    HB3  ALA  12           HB3      ALA  12  -0.005   2.912  -2.012
  100    H    TYR  13           H        TYR  13  -2.766   5.008  -0.288
  101    HA   TYR  13           HA       TYR  13  -3.085   2.871   1.487
  102    HB2  TYR  13           HB2      TYR  13  -3.129   5.250   2.144
  103    HB3  TYR  13           HB3      TYR  13  -4.660   5.466   1.311
  104    HD1  TYR  13           HD1      TYR  13  -6.710   4.219   2.147
  105    HD2  TYR  13           HD2      TYR  13  -3.028   4.358   4.365
  106    HE1  TYR  13           HE1      TYR  13  -7.919   3.544   4.201
  107    HE2  TYR  13           HE2      TYR  13  -4.245   3.682   6.417
  108    HH   TYR  13           HH       TYR  13  -7.297   3.962   6.921
  109    H    TRP  14           H        TRP  14  -5.542   4.418  -0.572
  110    HA   TRP  14           HA       TRP  14  -7.670   2.660   0.076
  111    HB2  TRP  14           HB2      TRP  14  -7.897   4.945  -0.910
  112    HB3  TRP  14           HB3      TRP  14  -7.278   4.304  -2.427
  113    HD1  TRP  14           HD1      TRP  14 -10.221   3.768   0.016
  114    HE1  TRP  14           HE1      TRP  14 -12.246   2.905  -1.327
  115    HE3  TRP  14           HE3      TRP  14  -8.084   3.283  -4.601
  116    HZ2  TRP  14           HZ2      TRP  14 -12.878   2.117  -3.999
  117    HZ3  TRP  14           HZ3      TRP  14  -9.421   2.474  -6.524
  118    HH2  TRP  14           HH2      TRP  14 -11.814   1.892  -6.231
  119    H    GLU  15           H        GLU  15  -5.403   2.740  -2.679
  120    HA   GLU  15           HA       GLU  15  -6.496   0.603  -4.140
  121    HB2  GLU  15           HB2      GLU  15  -3.702   1.743  -4.009
  122    HB3  GLU  15           HB3      GLU  15  -4.144   0.446  -5.124
  123    HG2  GLU  15           HG2      GLU  15  -5.933   1.874  -6.073
  124    HG3  GLU  15           HG3      GLU  15  -5.485   3.171  -4.975
  125    H    ILE  16           H        ILE  16  -4.041   0.577  -1.552
  126    HA   ILE  16           HA       ILE  16  -3.377  -2.177  -1.765
  127    HB   ILE  16           HB       ILE  16  -3.233  -0.249   0.571
  128   HG12  ILE  16          HG12      ILE  16  -0.965  -1.424  -1.051
  129   HG13  ILE  16          HG13      ILE  16  -1.778   0.051  -1.551
  130   HG21  ILE  16          HG21      ILE  16  -3.303  -2.418   1.588
  131   HG22  ILE  16          HG22      ILE  16  -1.594  -2.000   1.494
  132   HG23  ILE  16          HG23      ILE  16  -2.291  -3.121   0.326
  133   HD11  ILE  16          HD11      ILE  16  -1.191   1.146   0.544
  134   HD12  ILE  16          HD12      ILE  16   0.272   0.471  -0.170
  135   HD13  ILE  16          HD13      ILE  16  -0.512  -0.353   1.178
  136    H    ALA  17           H        ALA  17  -5.561  -0.485   0.505
  137    HA   ALA  17           HA       ALA  17  -6.601  -2.740   1.789
  138    HB1  ALA  17           HB1      ALA  17  -7.921  -0.068   1.247
  139    HB2  ALA  17           HB2      ALA  17  -6.944  -0.493   2.654
  140    HB3  ALA  17           HB3      ALA  17  -8.508  -1.269   2.399
  141    H    LEU  18           H        LEU  18  -7.460  -1.300  -1.299
  142    HA   LEU  18           HA       LEU  18  -9.962  -2.534  -1.695
  143    HB2  LEU  18           HB2      LEU  18  -9.049  -0.665  -3.080
  144    HB3  LEU  18           HB3      LEU  18  -7.918  -1.801  -3.810
  145    HG   LEU  18           HG       LEU  18  -9.920  -3.192  -4.531
  146   HD11  LEU  18          HD11      LEU  18 -11.350  -0.769  -3.415
  147   HD12  LEU  18          HD12      LEU  18 -11.669  -2.473  -3.091
  148   HD13  LEU  18          HD13      LEU  18 -12.082  -1.784  -4.658
  149   HD21  LEU  18          HD21      LEU  18 -10.513  -1.664  -6.406
  150   HD22  LEU  18          HD22      LEU  18  -8.774  -1.706  -6.112
  151   HD23  LEU  18          HD23      LEU  18  -9.731  -0.335  -5.549
  152    H    LEU  19           H        LEU  19  -6.656  -3.699  -2.309
  153    HA   LEU  19           HA       LEU  19  -7.415  -6.026  -3.770
  154    HB2  LEU  19           HB2      LEU  19  -4.939  -4.997  -2.491
  155    HB3  LEU  19           HB3      LEU  19  -5.030  -6.738  -2.694
  156    HG   LEU  19           HG       LEU  19  -5.163  -6.592  -5.046
  157   HD11  LEU  19          HD11      LEU  19  -5.995  -3.722  -4.611
  158   HD12  LEU  19          HD12      LEU  19  -6.837  -4.990  -5.503
  159   HD13  LEU  19          HD13      LEU  19  -5.373  -4.268  -6.169
  160   HD21  LEU  19          HD21      LEU  19  -2.943  -5.880  -4.013
  161   HD22  LEU  19          HD22      LEU  19  -3.417  -4.216  -4.352
  162   HD23  LEU  19          HD23      LEU  19  -3.205  -5.359  -5.676
  163    HA   PRO  20           HA       PRO  20  -8.872  -8.254  -0.115
  164    HB2  PRO  20           HB2      PRO  20 -10.226 -10.189  -1.373
  165    HB3  PRO  20           HB3      PRO  20 -10.770  -8.499  -1.439
  166    HG2  PRO  20           HG2      PRO  20  -9.300 -10.091  -3.489
  167    HG3  PRO  20           HG3      PRO  20 -10.627  -8.935  -3.697
  168    HD2  PRO  20           HD2      PRO  20  -7.916  -8.355  -4.066
  169    HD3  PRO  20           HD3      PRO  20  -9.198  -7.152  -3.802
  170    H    ASN  21           H        ASN  21  -7.154  -9.925  -2.761
  171    HA   ASN  21           HA       ASN  21  -6.758 -12.383  -1.452
  172    HB2  ASN  21           HB2      ASN  21  -4.562 -12.241  -3.090
  173    HB3  ASN  21           HB3      ASN  21  -6.157 -12.795  -3.576
  174   HD21  ASN  21          HD21      ASN  21  -6.538 -11.918  -5.607
  175   HD22  ASN  21          HD22      ASN  21  -6.269 -10.296  -6.026
  176    H    LEU  22           H        LEU  22  -5.210  -9.336  -0.914
  177    HA   LEU  22           HA       LEU  22  -2.732 -10.299   0.091
  178    HB2  LEU  22           HB2      LEU  22  -4.154  -7.803   1.033
  179    HB3  LEU  22           HB3      LEU  22  -2.430  -8.165   1.141
  180    HG   LEU  22           HG       LEU  22  -3.823  -8.048  -1.524
  181   HD11  LEU  22          HD11      LEU  22  -4.264  -5.889  -0.474
  182   HD12  LEU  22          HD12      LEU  22  -2.969  -5.678  -1.653
  183   HD13  LEU  22          HD13      LEU  22  -2.588  -5.770   0.066
  184   HD21  LEU  22          HD21      LEU  22  -1.542  -7.537  -2.295
  185   HD22  LEU  22          HD22      LEU  22  -1.570  -9.055  -1.408
  186   HD23  LEU  22          HD23      LEU  22  -0.955  -7.596  -0.632
  187    H    ASN  23           H        ASN  23  -2.257 -11.317   1.866
  188    HA   ASN  23           HA       ASN  23  -4.078 -12.384   3.684
  189    HB2  ASN  23           HB2      ASN  23  -1.683 -13.084   3.468
  190    HB3  ASN  23           HB3      ASN  23  -1.217 -11.622   4.332
  191   HD21  ASN  23          HD21      ASN  23  -3.023 -14.688   4.702
  192   HD22  ASN  23          HD22      ASN  23  -2.950 -14.705   6.400
  193    H    ASN  24           H        ASN  24  -4.801 -11.806   5.749
  194    HA   ASN  24           HA       ASN  24  -5.630  -9.221   6.222
  195    HB2  ASN  24           HB2      ASN  24  -6.452 -11.301   7.357
  196    HB3  ASN  24           HB3      ASN  24  -5.023 -11.251   8.383
  197   HD21  ASN  24          HD21      ASN  24  -7.719  -9.071   7.355
  198   HD22  ASN  24          HD22      ASN  24  -7.869  -8.316   8.870
  199    H    GLN  25           H        GLN  25  -2.643 -10.747   7.389
  200    HA   GLN  25           HA       GLN  25  -1.839  -8.567   9.061
  201    HB2  GLN  25           HB2      GLN  25  -0.265 -10.849   7.839
  202    HB3  GLN  25           HB3      GLN  25   0.387  -9.715   9.022
  203    HG2  GLN  25           HG2      GLN  25  -1.328 -10.379  10.646
  204    HG3  GLN  25           HG3      GLN  25  -2.051 -11.473   9.468
  205   HE21  GLN  25          HE21      GLN  25  -0.898 -12.225  12.096
  206   HE22  GLN  25          HE22      GLN  25   0.371 -13.304  11.766
  207    H    GLN  26           H        GLN  26  -1.060  -9.514   5.726
  208    HA   GLN  26           HA       GLN  26   0.952  -7.618   5.242
  209    HB2  GLN  26           HB2      GLN  26  -0.972  -8.981   3.350
  210    HB3  GLN  26           HB3      GLN  26   0.387  -7.989   2.819
  211    HG2  GLN  26           HG2      GLN  26   1.950  -9.461   4.039
  212    HG3  GLN  26           HG3      GLN  26   0.602 -10.453   4.584
  213   HE21  GLN  26          HE21      GLN  26  -0.901 -11.042   2.472
  214   HE22  GLN  26          HE22      GLN  26  -0.007 -11.693   1.181
  215    H    LYS  27           H        LYS  27  -2.585  -7.329   4.893
  216    HA   LYS  27           HA       LYS  27  -2.704  -4.935   3.462
  217    HB2  LYS  27           HB2      LYS  27  -4.536  -5.985   5.635
  218    HB3  LYS  27           HB3      LYS  27  -4.909  -4.581   4.635
  219    HG2  LYS  27           HG2      LYS  27  -4.741  -5.974   2.599
  220    HG3  LYS  27           HG3      LYS  27  -4.344  -7.378   3.588
  221    HD2  LYS  27           HD2      LYS  27  -6.663  -7.609   3.197
  222    HD3  LYS  27           HD3      LYS  27  -6.577  -6.915   4.814
  223    HE2  LYS  27           HE2      LYS  27  -7.994  -5.321   4.039
  224    HE3  LYS  27           HE3      LYS  27  -6.604  -4.663   3.179
  225    HZ1  LYS  27           HZ1      LYS  27  -8.653  -6.542   2.154
  226    HZ2  LYS  27           HZ2      LYS  27  -7.189  -6.259   1.342
  227    HZ3  LYS  27           HZ3      LYS  27  -8.288  -4.982   1.584
  228    H    ARG  28           H        ARG  28  -3.024  -5.194   7.009
  229    HA   ARG  28           HA       ARG  28  -2.711  -2.447   7.546
  230    HB2  ARG  28           HB2      ARG  28  -2.123  -4.818   9.343
  231    HB3  ARG  28           HB3      ARG  28  -2.285  -3.147   9.880
  232    HG2  ARG  28           HG2      ARG  28  -4.620  -3.142   8.906
  233    HG3  ARG  28           HG3      ARG  28  -4.437  -4.870   8.607
  234    HD2  ARG  28           HD2      ARG  28  -3.779  -4.961  11.157
  235    HD3  ARG  28           HD3      ARG  28  -4.608  -3.411  11.232
  236    HE   ARG  28           HE       ARG  28  -6.632  -4.522  10.942
  237   HH11  ARG  28          HH11      ARG  28  -3.981  -6.624  10.153
  238   HH12  ARG  28          HH12      ARG  28  -4.969  -8.042  10.046
  239   HH21  ARG  28          HH21      ARG  28  -7.909  -6.384  10.795
  240   HH22  ARG  28          HH22      ARG  28  -7.177  -7.907  10.410
  241    H    ALA  29           H        ALA  29  -0.348  -5.047   7.185
  242    HA   ALA  29           HA       ALA  29   1.882  -3.823   8.352
  243    HB1  ALA  29           HB1      ALA  29   1.882  -6.176   7.738
  244    HB2  ALA  29           HB2      ALA  29   3.224  -5.356   6.939
  245    HB3  ALA  29           HB3      ALA  29   1.770  -5.759   6.030
  246    H    PHE  30           H        PHE  30   1.120  -3.926   4.825
  247    HA   PHE  30           HA       PHE  30   3.160  -2.115   4.088
  248    HB2  PHE  30           HB2      PHE  30   0.647  -3.075   2.750
  249    HB3  PHE  30           HB3      PHE  30   1.576  -1.764   2.025
  250    HD1  PHE  30           HD1      PHE  30   1.619  -5.342   2.952
  251    HD2  PHE  30           HD2      PHE  30   3.839  -2.127   1.178
  252    HE1  PHE  30           HE1      PHE  30   3.250  -6.966   2.055
  253    HE2  PHE  30           HE2      PHE  30   5.474  -3.753   0.276
  254    HZ   PHE  30           HZ       PHE  30   5.183  -6.174   0.712
  255    H    ILE  31           H        ILE  31  -0.273  -1.556   4.813
  256    HA   ILE  31           HA       ILE  31  -0.454   1.163   4.232
  257    HB   ILE  31           HB       ILE  31  -1.810  -0.483   6.386
  258   HG12  ILE  31          HG12      ILE  31  -2.095  -0.991   3.844
  259   HG13  ILE  31          HG13      ILE  31  -3.540  -0.858   4.832
  260   HG21  ILE  31          HG21      ILE  31  -2.114   1.725   7.157
  261   HG22  ILE  31          HG22      ILE  31  -3.570   1.405   6.217
  262   HG23  ILE  31          HG23      ILE  31  -2.268   2.374   5.524
  263   HD11  ILE  31          HD11      ILE  31  -3.628   0.356   2.604
  264   HD12  ILE  31          HD12      ILE  31  -2.421   1.469   3.244
  265   HD13  ILE  31          HD13      ILE  31  -4.005   1.348   4.006
  266    H    ARG  32           H        ARG  32   0.700  -0.450   7.186
  267    HA   ARG  32           HA       ARG  32   1.236   2.018   8.591
  268    HB2  ARG  32           HB2      ARG  32   1.981  -0.862   9.154
  269    HB3  ARG  32           HB3      ARG  32   2.379   0.476  10.229
  270    HG2  ARG  32           HG2      ARG  32  -0.470   0.052   9.317
  271    HG3  ARG  32           HG3      ARG  32   0.182  -0.874  10.666
  272    HD2  ARG  32           HD2      ARG  32   0.207   2.157  10.498
  273    HD3  ARG  32           HD3      ARG  32  -0.990   1.222  11.385
  274    HE   ARG  32           HE       ARG  32   1.722   1.771  12.207
  275   HH11  ARG  32          HH11      ARG  32  -0.931  -0.462  12.462
  276   HH12  ARG  32          HH12      ARG  32  -0.423  -1.084  13.995
  277   HH21  ARG  32          HH21      ARG  32   2.369   0.946  14.203
  278   HH22  ARG  32          HH22      ARG  32   1.436  -0.291  14.974
  279    H    SER  33           H        SER  33   3.108  -0.248   6.616
  280    HA   SER  33           HA       SER  33   5.698   0.569   7.320
  281    HB2  SER  33           HB2      SER  33   6.465  -0.523   5.369
  282    HB3  SER  33           HB3      SER  33   5.020  -1.409   5.839
  283    HG   SER  33           HG       SER  33   3.919   0.109   4.334
  284    H    LEU  34           H        LEU  34   3.337   2.070   5.173
  285    HA   LEU  34           HA       LEU  34   5.031   3.868   3.800
  286    HB2  LEU  34           HB2      LEU  34   2.128   3.720   4.409
  287    HB3  LEU  34           HB3      LEU  34   2.742   5.335   4.070
  288    HG   LEU  34           HG       LEU  34   3.875   3.544   2.131
  289   HD11  LEU  34          HD11      LEU  34   1.918   2.079   2.696
  290   HD12  LEU  34          HD12      LEU  34   1.895   2.668   1.034
  291   HD13  LEU  34          HD13      LEU  34   0.847   3.407   2.246
  292   HD21  LEU  34          HD21      LEU  34   1.681   5.606   1.768
  293   HD22  LEU  34          HD22      LEU  34   2.867   5.082   0.572
  294   HD23  LEU  34          HD23      LEU  34   3.384   6.029   1.970
  295    H    TYR  35           H        TYR  35   3.438   4.117   6.954
  296    HA   TYR  35           HA       TYR  35   4.225   6.790   7.539
  297    HB2  TYR  35           HB2      TYR  35   2.419   5.534   8.741
  298    HB3  TYR  35           HB3      TYR  35   3.660   4.530   9.487
  299    HD1  TYR  35           HD1      TYR  35   2.311   7.982   9.245
  300    HD2  TYR  35           HD2      TYR  35   5.052   5.371  11.284
  301    HE1  TYR  35           HE1      TYR  35   2.654   9.705  10.994
  302    HE2  TYR  35           HE2      TYR  35   5.392   7.096  13.032
  303    HH   TYR  35           HH       TYR  35   4.895  10.089  12.779
  304    H    ASP  36           H        ASP  36   5.609   3.611   8.252
  305    HA   ASP  36           HA       ASP  36   7.792   4.425   9.825
  306    HB2  ASP  36           HB2      ASP  36   6.988   2.073   9.559
  307    HB3  ASP  36           HB3      ASP  36   7.697   2.052   7.947
  308    H    ASP  37           H        ASP  37   7.459   4.160   6.297
  309    HA   ASP  37           HA       ASP  37   9.773   5.894   5.942
  310    HB2  ASP  37           HB2      ASP  37  10.093   3.078   5.741
  311    HB3  ASP  37           HB3      ASP  37  10.136   3.700   4.097
  312    HA   PRO  38           HA       PRO  38   6.330   6.760   2.983
  313    HB2  PRO  38           HB2      PRO  38   6.934   9.450   2.750
  314    HB3  PRO  38           HB3      PRO  38   5.854   8.767   3.978
  315    HG2  PRO  38           HG2      PRO  38   8.701   9.590   4.212
  316    HG3  PRO  38           HG3      PRO  38   7.372   9.767   5.371
  317    HD2  PRO  38           HD2      PRO  38   9.273   7.838   5.618
  318    HD3  PRO  38           HD3      PRO  38   7.601   7.603   6.176
  319    H    SER  39           H        SER  39   9.749   7.197   2.871
  320    HA   SER  39           HA       SER  39  10.116   8.194   0.266
  321    HB2  SER  39           HB2      SER  39  12.385   7.360   0.451
  322    HB3  SER  39           HB3      SER  39  11.895   8.016   2.010
  323    HG   SER  39           HG       SER  39  11.963   6.067   2.850
  324    H    GLN  40           H        GLN  40   9.185   5.016   1.388
  325    HA   GLN  40           HA       GLN  40   9.737   3.805  -1.243
  326    HB2  GLN  40           HB2      GLN  40   8.708   2.434   1.252
  327    HB3  GLN  40           HB3      GLN  40   9.417   1.680  -0.169
  328    HG2  GLN  40           HG2      GLN  40  10.859   3.501   1.784
  329    HG3  GLN  40           HG3      GLN  40  11.043   1.756   1.675
  330   HE21  GLN  40          HE21      GLN  40  12.560   4.569   0.774
  331   HE22  GLN  40          HE22      GLN  40  13.381   4.011  -0.605
  332    H    SER  41           H        SER  41   7.263   5.594  -0.091
  333    HA   SER  41           HA       SER  41   4.889   4.277  -0.155
  334    HB2  SER  41           HB2      SER  41   5.501   6.895  -1.541
  335    HB3  SER  41           HB3      SER  41   3.878   6.296  -1.211
  336    HG   SER  41           HG       SER  41   5.864   7.206   0.542
  337    H    ALA  42           H        ALA  42   6.648   5.279  -3.095
  338    HA   ALA  42           HA       ALA  42   4.744   4.254  -4.937
  339    HB1  ALA  42           HB1      ALA  42   6.442   5.917  -5.571
  340    HB2  ALA  42           HB2      ALA  42   6.542   4.490  -6.602
  341    HB3  ALA  42           HB3      ALA  42   7.716   4.726  -5.306
  342    H    ASN  43           H        ASN  43   7.725   2.878  -3.554
  343    HA   ASN  43           HA       ASN  43   7.698   0.463  -5.047
  344    HB2  ASN  43           HB2      ASN  43   8.913   1.055  -2.334
  345    HB3  ASN  43           HB3      ASN  43   9.245  -0.379  -3.296
  346   HD21  ASN  43          HD21      ASN  43  11.369   1.288  -2.604
  347   HD22  ASN  43          HD22      ASN  43  11.926   2.116  -3.980
  348    H    LEU  44           H        LEU  44   6.461   1.272  -1.806
  349    HA   LEU  44           HA       LEU  44   5.629  -1.290  -1.033
  350    HB2  LEU  44           HB2      LEU  44   4.443   1.382  -0.357
  351    HB3  LEU  44           HB3      LEU  44   4.105  -0.096   0.511
  352    HG   LEU  44           HG       LEU  44   6.898   1.070   0.195
  353   HD11  LEU  44          HD11      LEU  44   5.853   2.666   1.547
  354   HD12  LEU  44          HD12      LEU  44   6.514   1.542   2.732
  355   HD13  LEU  44          HD13      LEU  44   4.801   1.475   2.314
  356   HD21  LEU  44          HD21      LEU  44   6.964  -1.305   0.649
  357   HD22  LEU  44          HD22      LEU  44   5.756  -1.143   1.924
  358   HD23  LEU  44          HD23      LEU  44   7.367  -0.458   2.140
  359    H    LEU  45           H        LEU  45   3.875   1.236  -2.849
  360    HA   LEU  45           HA       LEU  45   1.374  -0.082  -2.995
  361    HB2  LEU  45           HB2      LEU  45   1.477   2.234  -3.587
  362    HB3  LEU  45           HB3      LEU  45   2.725   1.941  -4.790
  363    HG   LEU  45           HG       LEU  45   1.108   0.666  -6.172
  364   HD11  LEU  45          HD11      LEU  45  -1.315   0.726  -5.543
  365   HD12  LEU  45          HD12      LEU  45  -0.856   1.382  -3.970
  366   HD13  LEU  45          HD13      LEU  45  -0.343  -0.239  -4.434
  367   HD21  LEU  45          HD21      LEU  45   1.333   3.168  -6.395
  368   HD22  LEU  45          HD22      LEU  45  -0.080   3.334  -5.350
  369   HD23  LEU  45          HD23      LEU  45  -0.229   2.538  -6.917
  370    H    ALA  46           H        ALA  46   4.151  -0.053  -5.199
  371    HA   ALA  46           HA       ALA  46   3.108  -1.849  -7.137
  372    HB1  ALA  46           HB1      ALA  46   6.007  -1.391  -6.366
  373    HB2  ALA  46           HB2      ALA  46   5.099  -0.414  -7.520
  374    HB3  ALA  46           HB3      ALA  46   5.432  -2.109  -7.870
  375    H    GLU  47           H        GLU  47   5.063  -2.320  -4.227
  376    HA   GLU  47           HA       GLU  47   5.480  -5.099  -4.430
  377    HB2  GLU  47           HB2      GLU  47   5.426  -3.142  -2.124
  378    HB3  GLU  47           HB3      GLU  47   5.691  -4.877  -1.870
  379    HG2  GLU  47           HG2      GLU  47   7.346  -3.189  -3.776
  380    HG3  GLU  47           HG3      GLU  47   7.822  -3.524  -2.115
  381    H    ALA  48           H        ALA  48   2.828  -3.194  -3.059
  382    HA   ALA  48           HA       ALA  48   1.474  -5.347  -1.791
  383    HB1  ALA  48           HB1      ALA  48   0.283  -2.800  -2.930
  384    HB2  ALA  48           HB2      ALA  48   1.016  -2.937  -1.332
  385    HB3  ALA  48           HB3      ALA  48  -0.445  -3.849  -1.713
  386    H    LYS  49           H        LYS  49   1.251  -3.870  -5.003
  387    HA   LYS  49           HA       LYS  49  -0.893  -5.438  -5.984
  388    HB2  LYS  49           HB2      LYS  49   0.412  -3.299  -6.955
  389    HB3  LYS  49           HB3      LYS  49   1.254  -4.555  -7.863
  390    HG2  LYS  49           HG2      LYS  49  -1.114  -5.457  -8.427
  391    HG3  LYS  49           HG3      LYS  49  -1.693  -3.894  -7.863
  392    HD2  LYS  49           HD2      LYS  49   0.239  -3.011  -9.496
  393    HD3  LYS  49           HD3      LYS  49  -0.072  -4.560 -10.282
  394    HE2  LYS  49           HE2      LYS  49  -2.528  -3.954 -10.311
  395    HE3  LYS  49           HE3      LYS  49  -2.074  -2.345  -9.734
  396    HZ1  LYS  49           HZ1      LYS  49  -2.251  -2.320 -12.113
  397    HZ2  LYS  49           HZ2      LYS  49  -1.195  -3.639 -12.261
  398    HZ3  LYS  49           HZ3      LYS  49  -0.613  -2.149 -11.689
  399    H    LYS  50           H        LYS  50   2.599  -5.919  -5.838
  400    HA   LYS  50           HA       LYS  50   2.865  -8.153  -7.517
  401    HB2  LYS  50           HB2      LYS  50   4.718  -6.763  -6.510
  402    HB3  LYS  50           HB3      LYS  50   4.437  -7.601  -4.987
  403    HG2  LYS  50           HG2      LYS  50   4.987  -9.746  -5.992
  404    HG3  LYS  50           HG3      LYS  50   5.084  -9.015  -7.594
  405    HD2  LYS  50           HD2      LYS  50   7.344  -9.178  -6.891
  406    HD3  LYS  50           HD3      LYS  50   6.913  -7.492  -6.606
  407    HE2  LYS  50           HE2      LYS  50   6.412  -8.074  -4.218
  408    HE3  LYS  50           HE3      LYS  50   6.989  -9.711  -4.534
  409    HZ1  LYS  50           HZ1      LYS  50   9.092  -8.578  -5.356
  410    HZ2  LYS  50           HZ2      LYS  50   8.825  -8.583  -3.680
  411    HZ3  LYS  50           HZ3      LYS  50   8.514  -7.176  -4.585
  412    H    LEU  51           H        LEU  51   2.153  -7.912  -4.041
  413    HA   LEU  51           HA       LEU  51   2.082 -10.688  -3.477
  414    HB2  LEU  51           HB2      LEU  51   0.782  -8.288  -2.178
  415    HB3  LEU  51           HB3      LEU  51   0.595  -9.911  -1.517
  416    HG   LEU  51           HG       LEU  51   3.287  -8.607  -2.070
  417   HD11  LEU  51          HD11      LEU  51   3.336  -8.470   0.494
  418   HD12  LEU  51          HD12      LEU  51   1.589  -8.696   0.430
  419   HD13  LEU  51          HD13      LEU  51   2.324  -7.292  -0.343
  420   HD21  LEU  51          HD21      LEU  51   3.647 -10.933  -1.982
  421   HD22  LEU  51          HD22      LEU  51   2.376 -11.185  -0.785
  422   HD23  LEU  51          HD23      LEU  51   3.907 -10.451  -0.309
  423    H    ASN  52           H        ASN  52  -0.422  -8.391  -4.497
  424    HA   ASN  52           HA       ASN  52  -2.635 -10.146  -4.400
  425    HB2  ASN  52           HB2      ASN  52  -3.301  -7.956  -4.629
  426    HB3  ASN  52           HB3      ASN  52  -1.999  -7.549  -5.733
  427   HD21  ASN  52          HD21      ASN  52  -5.299  -8.774  -5.538
  428   HD22  ASN  52          HD22      ASN  52  -5.581  -8.790  -7.215
  429    H    ASP  53           H        ASP  53  -0.429  -9.297  -7.068
  430    HA   ASP  53           HA       ASP  53  -1.614 -10.914  -9.050
  431    HB2  ASP  53           HB2      ASP  53   0.054  -9.116  -9.461
  432    HB3  ASP  53           HB3      ASP  53   1.307 -10.144  -8.797
  433    H    ALA  54           H        ALA  54   0.882 -11.615  -6.637
  434    HA   ALA  54           HA       ALA  54   1.508 -14.192  -7.680
  435    HB1  ALA  54           HB1      ALA  54   2.034 -13.046  -4.928
  436    HB2  ALA  54           HB2      ALA  54   3.101 -12.900  -6.324
  437    HB3  ALA  54           HB3      ALA  54   2.796 -14.484  -5.609
  438    H    GLN  55           H        GLN  55  -0.353 -13.157  -4.799
  439    HA   GLN  55           HA       GLN  55  -1.117 -15.773  -4.006
  440    HB2  GLN  55           HB2      GLN  55  -2.354 -13.080  -3.354
  441    HB3  GLN  55           HB3      GLN  55  -2.815 -14.601  -2.592
  442    HG2  GLN  55           HG2      GLN  55  -0.722 -14.857  -1.545
  443    HG3  GLN  55           HG3      GLN  55   0.075 -13.728  -2.642
  444   HE21  GLN  55          HE21      GLN  55  -1.405 -11.471  -2.575
  445   HE22  GLN  55          HE22      GLN  55  -1.571 -10.869  -1.000
  446    H    ALA  56           H        ALA  56  -2.474 -13.557  -6.349
  447    HA   ALA  56           HA       ALA  56  -5.107 -14.419  -6.529
  448    HB1  ALA  56           HB1      ALA  56  -4.881 -13.776  -8.996
  449    HB2  ALA  56           HB2      ALA  56  -3.191 -13.421  -8.637
  450    HB3  ALA  56           HB3      ALA  56  -4.475 -12.531  -7.816
  451    HA   PRO  57           HA       PRO  57  -4.809 -18.592  -8.061
  452    HB2  PRO  57           HB2      PRO  57  -7.315 -18.920  -9.072
  453    HB3  PRO  57           HB3      PRO  57  -6.989 -18.828  -7.330
  454    HG2  PRO  57           HG2      PRO  57  -8.029 -16.731  -9.173
  455    HG3  PRO  57           HG3      PRO  57  -8.504 -17.110  -7.508
  456    HD2  PRO  57           HD2      PRO  57  -6.826 -15.030  -8.176
  457    HD3  PRO  57           HD3      PRO  57  -6.812 -15.842  -6.594
  458    H    LYS  58           H        LYS  58  -4.611 -19.817  -9.981
  459    HA   LYS  58           HA       LYS  58  -3.940 -18.300 -12.351
  460    HB2  LYS  58           HB2      LYS  58  -3.993 -21.307 -11.937
  461    HB3  LYS  58           HB3      LYS  58  -3.214 -20.451 -13.266
  462    HG2  LYS  58           HG2      LYS  58  -2.479 -20.100 -10.336
  463    HG3  LYS  58           HG3      LYS  58  -1.614 -21.138 -11.466
  464    HD2  LYS  58           HD2      LYS  58  -1.190 -19.133 -12.916
  465    HD3  LYS  58           HD3      LYS  58  -1.942 -18.125 -11.682
  466    HE2  LYS  58           HE2      LYS  58   0.483 -18.077 -11.399
  467    HE3  LYS  58           HE3      LYS  58  -0.249 -18.920 -10.035
  468    HZ1  LYS  58           HZ1      LYS  58   0.557 -20.496 -12.370
  469    HZ2  LYS  58           HZ2      LYS  58   0.542 -20.927 -10.730
  470    HZ3  LYS  58           HZ3      LYS  58   1.778 -19.929 -11.333
  Start of MODEL   12
    1    H    VAL   1           H        VAL   1   7.356  19.275  -4.023
    2    HA   VAL   1           HA       VAL   1   5.349  19.763  -2.738
    3    HB   VAL   1           HB       VAL   1   7.564  18.518  -1.064
    4   HG11  VAL   1          HG11      VAL   1   4.565  18.015  -1.142
    5   HG12  VAL   1          HG12      VAL   1   5.417  18.900   0.125
    6   HG13  VAL   1          HG13      VAL   1   5.729  17.183  -0.113
    7   HG21  VAL   1          HG21      VAL   1   6.658  16.368  -2.172
    8   HG22  VAL   1          HG22      VAL   1   7.674  17.406  -3.171
    9   HG23  VAL   1          HG23      VAL   1   5.922  17.433  -3.370
   10    H    ASP   2           H        ASP   2   4.450  21.375  -1.599
   11    HA   ASP   2           HA       ASP   2   6.016  23.362  -0.258
   12    HB2  ASP   2           HB2      ASP   2   3.019  22.875  -0.273
   13    HB3  ASP   2           HB3      ASP   2   3.804  24.304   0.398
   14    H    ASN   3           H        ASN   3   3.317  21.476   1.143
   15    HA   ASN   3           HA       ASN   3   4.613  21.572   3.763
   16    HB2  ASN   3           HB2      ASN   3   1.881  20.538   2.943
   17    HB3  ASN   3           HB3      ASN   3   2.466  20.689   4.598
   18   HD21  ASN   3          HD21      ASN   3   0.317  22.183   2.777
   19   HD22  ASN   3          HD22      ASN   3   0.598  23.812   3.170
   20    H    LYS   4           H        LYS   4   2.983  19.015   1.843
   21    HA   LYS   4           HA       LYS   4   5.122  17.137   2.105
   22    HB2  LYS   4           HB2      LYS   4   4.118  17.213   4.467
   23    HB3  LYS   4           HB3      LYS   4   2.676  16.490   3.769
   24    HG2  LYS   4           HG2      LYS   4   3.929  14.649   4.581
   25    HG3  LYS   4           HG3      LYS   4   4.245  14.655   2.849
   26    HD2  LYS   4           HD2      LYS   4   6.389  15.766   3.188
   27    HD3  LYS   4           HD3      LYS   4   6.054  15.969   4.907
   28    HE2  LYS   4           HE2      LYS   4   6.030  13.518   5.198
   29    HE3  LYS   4           HE3      LYS   4   6.353  13.307   3.477
   30    HZ1  LYS   4           HZ1      LYS   4   8.409  13.155   4.630
   31    HZ2  LYS   4           HZ2      LYS   4   8.116  14.585   5.491
   32    HZ3  LYS   4           HZ3      LYS   4   8.402  14.646   3.818
   33    H    PHE   5           H        PHE   5   4.726  15.218   0.897
   34    HA   PHE   5           HA       PHE   5   2.629  15.471  -1.085
   35    HB2  PHE   5           HB2      PHE   5   3.697  13.357  -2.036
   36    HB3  PHE   5           HB3      PHE   5   4.697  14.802  -2.003
   37    HD1  PHE   5           HD1      PHE   5   6.458  15.077  -0.247
   38    HD2  PHE   5           HD2      PHE   5   4.267  11.405  -0.711
   39    HE1  PHE   5           HE1      PHE   5   8.175  13.884   1.077
   40    HE2  PHE   5           HE2      PHE   5   5.988  10.218   0.619
   41    HZ   PHE   5           HZ       PHE   5   7.941  11.458   1.511
   42    H    ASN   6           H        ASN   6   1.234  15.258   1.049
   43    HA   ASN   6           HA       ASN   6   0.608  12.676   2.038
   44    HB2  ASN   6           HB2      ASN   6  -1.150  15.143   1.892
   45    HB3  ASN   6           HB3      ASN   6  -1.425  13.737   2.919
   46   HD21  ASN   6          HD21      ASN   6  -0.479  16.798   3.276
   47   HD22  ASN   6          HD22      ASN   6   0.728  16.638   4.460
   48    H    LYS   7           H        LYS   7  -0.579  14.543  -0.715
   49    HA   LYS   7           HA       LYS   7  -2.905  13.161  -1.361
   50    HB2  LYS   7           HB2      LYS   7  -2.059  15.270  -2.436
   51    HB3  LYS   7           HB3      LYS   7  -0.919  14.288  -3.351
   52    HG2  LYS   7           HG2      LYS   7  -2.815  14.602  -4.779
   53    HG3  LYS   7           HG3      LYS   7  -2.931  12.947  -4.185
   54    HD2  LYS   7           HD2      LYS   7  -4.570  13.615  -2.501
   55    HD3  LYS   7           HD3      LYS   7  -4.375  15.311  -2.936
   56    HE2  LYS   7           HE2      LYS   7  -6.399  14.413  -3.967
   57    HE3  LYS   7           HE3      LYS   7  -5.217  14.799  -5.216
   58    HZ1  LYS   7           HZ1      LYS   7  -6.442  12.510  -5.205
   59    HZ2  LYS   7           HZ2      LYS   7  -5.247  12.094  -4.076
   60    HZ3  LYS   7           HZ3      LYS   7  -4.801  12.604  -5.633
   61    H    GLU   8           H        GLU   8   0.424  12.477  -2.474
   62    HA   GLU   8           HA       GLU   8  -0.223  10.217  -4.058
   63    HB2  GLU   8           HB2      GLU   8   2.352  10.950  -2.627
   64    HB3  GLU   8           HB3      GLU   8   2.208   9.655  -3.813
   65    HG2  GLU   8           HG2      GLU   8   1.644  12.599  -4.323
   66    HG3  GLU   8           HG3      GLU   8   3.067  11.718  -4.864
   67    H    MET   9           H        MET   9   0.450  10.657  -0.650
   68    HA   MET   9           HA       MET   9   0.806   7.969   0.119
   69    HB2  MET   9           HB2      MET   9   0.843  10.431   1.387
   70    HB3  MET   9           HB3      MET   9  -0.585   9.675   2.079
   71    HG2  MET   9           HG2      MET   9   0.630   8.023   3.132
   72    HG3  MET   9           HG3      MET   9   1.884   7.998   1.894
   73    HE1  MET   9           HE1      MET   9   4.330  10.652   2.691
   74    HE2  MET   9           HE2      MET   9   3.029  10.824   1.502
   75    HE3  MET   9           HE3      MET   9   3.823   9.260   1.733
   76    H    ARG  10           H        ARG  10  -2.098  10.024   0.011
   77    HA   ARG  10           HA       ARG  10  -3.943   8.119   0.976
   78    HB2  ARG  10           HB2      ARG  10  -4.346  10.483  -0.879
   79    HB3  ARG  10           HB3      ARG  10  -5.660   9.556  -0.153
   80    HG2  ARG  10           HG2      ARG  10  -4.769  10.107   2.110
   81    HG3  ARG  10           HG3      ARG  10  -3.515  11.091   1.357
   82    HD2  ARG  10           HD2      ARG  10  -5.338  12.445   0.261
   83    HD3  ARG  10           HD3      ARG  10  -6.510  11.542   1.220
   84    HE   ARG  10           HE       ARG  10  -4.582  12.584   2.979
   85   HH11  ARG  10          HH11      ARG  10  -7.062  13.707   0.816
   86   HH12  ARG  10          HH12      ARG  10  -7.377  15.146   1.723
   87   HH21  ARG  10          HH21      ARG  10  -5.008  14.465   4.149
   88   HH22  ARG  10          HH22      ARG  10  -6.220  15.573   3.601
   89    H    ASN  11           H        ASN  11  -2.720   8.790  -2.277
   90    HA   ASN  11           HA       ASN  11  -4.541   7.251  -3.758
   91    HB2  ASN  11           HB2      ASN  11  -2.797   8.852  -4.660
   92    HB3  ASN  11           HB3      ASN  11  -1.602   7.586  -4.408
   93   HD21  ASN  11          HD21      ASN  11  -1.700   8.226  -6.979
   94   HD22  ASN  11          HD22      ASN  11  -2.636   7.153  -7.903
   95    H    ALA  12           H        ALA  12  -1.294   6.287  -2.548
   96    HA   ALA  12           HA       ALA  12  -1.620   3.547  -3.308
   97    HB1  ALA  12           HB1      ALA  12   0.604   4.628  -3.001
   98    HB2  ALA  12           HB2      ALA  12   0.439   3.129  -2.087
   99    HB3  ALA  12           HB3      ALA  12   0.306   4.684  -1.262
  100    H    TYR  13           H        TYR  13  -2.408   5.369  -0.412
  101    HA   TYR  13           HA       TYR  13  -2.650   3.341   1.493
  102    HB2  TYR  13           HB2      TYR  13  -2.850   5.789   1.930
  103    HB3  TYR  13           HB3      TYR  13  -4.435   5.775   1.171
  104    HD1  TYR  13           HD1      TYR  13  -6.306   4.424   2.211
  105    HD2  TYR  13           HD2      TYR  13  -2.530   5.030   4.179
  106    HE1  TYR  13           HE1      TYR  13  -7.327   3.781   4.375
  107    HE2  TYR  13           HE2      TYR  13  -3.557   4.384   6.340
  108    HH   TYR  13           HH       TYR  13  -6.095   2.723   6.746
  109    H    TRP  14           H        TRP  14  -5.383   4.744  -0.360
  110    HA   TRP  14           HA       TRP  14  -7.170   2.633   0.325
  111    HB2  TRP  14           HB2      TRP  14  -7.339   4.752  -1.830
  112    HB3  TRP  14           HB3      TRP  14  -8.641   3.637  -1.422
  113    HD1  TRP  14           HD1      TRP  14  -7.194   6.902  -0.435
  114    HE1  TRP  14           HE1      TRP  14  -8.308   7.764   1.724
  115    HE3  TRP  14           HE3      TRP  14  -9.674   2.681   1.029
  116    HZ2  TRP  14           HZ2      TRP  14 -10.021   6.795   3.796
  117    HZ3  TRP  14           HZ3      TRP  14 -11.038   2.680   3.098
  118    HH2  TRP  14           HH2      TRP  14 -11.215   4.730   4.482
  119    H    GLU  15           H        GLU  15  -5.103   3.219  -2.510
  120    HA   GLU  15           HA       GLU  15  -6.208   1.288  -4.224
  121    HB2  GLU  15           HB2      GLU  15  -4.526   3.013  -4.885
  122    HB3  GLU  15           HB3      GLU  15  -3.285   2.070  -4.059
  123    HG2  GLU  15           HG2      GLU  15  -3.777   0.138  -5.531
  124    HG3  GLU  15           HG3      GLU  15  -5.023   1.074  -6.347
  125    H    ILE  16           H        ILE  16  -3.680   0.946  -1.726
  126    HA   ILE  16           HA       ILE  16  -3.143  -1.811  -2.244
  127    HB   ILE  16           HB       ILE  16  -2.736  -0.105   0.233
  128   HG12  ILE  16          HG12      ILE  16  -0.673  -1.231  -1.684
  129   HG13  ILE  16          HG13      ILE  16  -1.424   0.338  -1.945
  130   HG21  ILE  16          HG21      ILE  16  -2.011  -2.997  -0.324
  131   HG22  ILE  16          HG22      ILE  16  -2.839  -2.332   1.084
  132   HG23  ILE  16          HG23      ILE  16  -1.119  -2.027   0.849
  133   HD11  ILE  16          HD11      ILE  16  -0.655   1.034   0.337
  134   HD12  ILE  16          HD12      ILE  16   0.676   0.659  -0.756
  135   HD13  ILE  16          HD13      ILE  16   0.196  -0.505   0.478
  136    H    ALA  17           H        ALA  17  -5.251  -0.120   0.073
  137    HA   ALA  17           HA       ALA  17  -6.294  -2.360   1.406
  138    HB1  ALA  17           HB1      ALA  17  -7.817   0.183   0.799
  139    HB2  ALA  17           HB2      ALA  17  -6.585   0.062   2.056
  140    HB3  ALA  17           HB3      ALA  17  -8.052  -0.911   2.162
  141    H    LEU  18           H        LEU  18  -7.105  -0.988  -1.719
  142    HA   LEU  18           HA       LEU  18  -9.631  -2.142  -2.127
  143    HB2  LEU  18           HB2      LEU  18  -8.585  -0.378  -3.563
  144    HB3  LEU  18           HB3      LEU  18  -7.522  -1.611  -4.235
  145    HG   LEU  18           HG       LEU  18  -9.591  -2.901  -4.934
  146   HD11  LEU  18          HD11      LEU  18 -10.893  -0.372  -3.903
  147   HD12  LEU  18          HD12      LEU  18 -11.312  -2.047  -3.540
  148   HD13  LEU  18          HD13      LEU  18 -11.667  -1.375  -5.129
  149   HD21  LEU  18          HD21      LEU  18  -8.336  -1.508  -6.535
  150   HD22  LEU  18          HD22      LEU  18  -9.267  -0.091  -6.045
  151   HD23  LEU  18          HD23      LEU  18 -10.065  -1.430  -6.870
  152    H    LEU  19           H        LEU  19  -6.380  -3.511  -2.584
  153    HA   LEU  19           HA       LEU  19  -7.170  -5.821  -4.025
  154    HB2  LEU  19           HB2      LEU  19  -4.767  -4.967  -2.492
  155    HB3  LEU  19           HB3      LEU  19  -4.955  -6.691  -2.774
  156    HG   LEU  19           HG       LEU  19  -4.810  -6.464  -5.109
  157   HD11  LEU  19          HD11      LEU  19  -5.538  -3.554  -4.704
  158   HD12  LEU  19          HD12      LEU  19  -6.413  -4.780  -5.628
  159   HD13  LEU  19          HD13      LEU  19  -4.874  -4.159  -6.224
  160   HD21  LEU  19          HD21      LEU  19  -3.070  -4.194  -4.100
  161   HD22  LEU  19          HD22      LEU  19  -2.792  -5.187  -5.529
  162   HD23  LEU  19          HD23      LEU  19  -2.668  -5.900  -3.922
  163    HA   PRO  20           HA       PRO  20  -9.179  -7.821  -0.516
  164    HB2  PRO  20           HB2      PRO  20 -10.606  -9.605  -1.875
  165    HB3  PRO  20           HB3      PRO  20 -10.912  -7.866  -2.077
  166    HG2  PRO  20           HG2      PRO  20  -9.349  -9.716  -3.834
  167    HG3  PRO  20           HG3      PRO  20 -10.552  -8.497  -4.283
  168    HD2  PRO  20           HD2      PRO  20  -7.809  -8.083  -4.342
  169    HD3  PRO  20           HD3      PRO  20  -9.024  -6.791  -4.222
  170    H    ASN  21           H        ASN  21  -7.145  -9.645  -2.819
  171    HA   ASN  21           HA       ASN  21  -7.298 -12.069  -1.236
  172    HB2  ASN  21           HB2      ASN  21  -5.809 -13.010  -2.954
  173    HB3  ASN  21           HB3      ASN  21  -7.223 -12.229  -3.655
  174   HD21  ASN  21          HD21      ASN  21  -5.355 -12.417  -5.495
  175   HD22  ASN  21          HD22      ASN  21  -4.455 -10.986  -5.687
  176    H    LEU  22           H        LEU  22  -5.530  -9.283  -0.774
  177    HA   LEU  22           HA       LEU  22  -2.984 -10.434  -0.116
  178    HB2  LEU  22           HB2      LEU  22  -4.183  -7.873   0.963
  179    HB3  LEU  22           HB3      LEU  22  -2.490  -8.358   1.062
  180    HG   LEU  22           HG       LEU  22  -3.868  -8.084  -1.602
  181   HD11  LEU  22          HD11      LEU  22  -4.174  -5.925  -0.507
  182   HD12  LEU  22          HD12      LEU  22  -2.858  -5.771  -1.669
  183   HD13  LEU  22          HD13      LEU  22  -2.500  -5.927   0.049
  184   HD21  LEU  22          HD21      LEU  22  -1.508  -7.625  -2.300
  185   HD22  LEU  22          HD22      LEU  22  -1.715  -9.225  -1.601
  186   HD23  LEU  22          HD23      LEU  22  -0.990  -7.933  -0.642
  187    H    ASN  23           H        ASN  23  -2.250 -11.250   1.782
  188    HA   ASN  23           HA       ASN  23  -4.019 -12.457   3.606
  189    HB2  ASN  23           HB2      ASN  23  -1.612 -13.084   3.301
  190    HB3  ASN  23           HB3      ASN  23  -1.167 -11.641   4.208
  191   HD21  ASN  23          HD21      ASN  23  -2.944 -14.736   4.505
  192   HD22  ASN  23          HD22      ASN  23  -2.819 -14.818   6.199
  193    H    ASN  24           H        ASN  24  -4.868 -11.897   5.578
  194    HA   ASN  24           HA       ASN  24  -5.684  -9.358   6.135
  195    HB2  ASN  24           HB2      ASN  24  -6.477 -11.472   7.235
  196    HB3  ASN  24           HB3      ASN  24  -5.056 -11.406   8.272
  197   HD21  ASN  24          HD21      ASN  24  -7.776  -9.254   7.244
  198   HD22  ASN  24          HD22      ASN  24  -7.956  -8.526   8.768
  199    H    GLN  25           H        GLN  25  -2.680 -10.851   7.296
  200    HA   GLN  25           HA       GLN  25  -1.920  -8.681   8.998
  201    HB2  GLN  25           HB2      GLN  25  -0.280 -10.891   7.725
  202    HB3  GLN  25           HB3      GLN  25   0.320  -9.780   8.958
  203    HG2  GLN  25           HG2      GLN  25  -1.470 -10.545  10.499
  204    HG3  GLN  25           HG3      GLN  25  -2.022 -11.689   9.276
  205   HE21  GLN  25          HE21      GLN  25  -1.177 -13.758   9.572
  206   HE22  GLN  25          HE22      GLN  25   0.312 -14.106  10.308
  207    H    GLN  26           H        GLN  26  -1.028  -9.619   5.693
  208    HA   GLN  26           HA       GLN  26   0.892  -7.632   5.205
  209    HB2  GLN  26           HB2      GLN  26  -0.948  -9.090   3.296
  210    HB3  GLN  26           HB3      GLN  26   0.398  -8.073   2.786
  211    HG2  GLN  26           HG2      GLN  26   1.979  -9.495   4.013
  212    HG3  GLN  26           HG3      GLN  26   0.654 -10.495   4.604
  213   HE21  GLN  26          HE21      GLN  26  -0.887 -11.009   2.396
  214   HE22  GLN  26          HE22      GLN  26   0.025 -11.761   1.176
  215    H    LYS  27           H        LYS  27  -2.638  -7.551   4.799
  216    HA   LYS  27           HA       LYS  27  -2.902  -5.216   3.294
  217    HB2  LYS  27           HB2      LYS  27  -4.698  -6.281   5.493
  218    HB3  LYS  27           HB3      LYS  27  -5.153  -4.999   4.367
  219    HG2  LYS  27           HG2      LYS  27  -4.898  -6.493   2.473
  220    HG3  LYS  27           HG3      LYS  27  -4.288  -7.775   3.510
  221    HD2  LYS  27           HD2      LYS  27  -6.395  -8.471   3.910
  222    HD3  LYS  27           HD3      LYS  27  -6.785  -6.901   4.607
  223    HE2  LYS  27           HE2      LYS  27  -8.326  -7.168   2.822
  224    HE3  LYS  27           HE3      LYS  27  -7.087  -6.084   2.188
  225    HZ1  LYS  27           HZ1      LYS  27  -6.867  -7.540   0.536
  226    HZ2  LYS  27           HZ2      LYS  27  -7.809  -8.714   1.325
  227    HZ3  LYS  27           HZ3      LYS  27  -6.144  -8.602   1.655
  228    H    ARG  28           H        ARG  28  -3.021  -5.465   6.860
  229    HA   ARG  28           HA       ARG  28  -2.987  -2.629   7.268
  230    HB2  ARG  28           HB2      ARG  28  -2.345  -4.878   9.196
  231    HB3  ARG  28           HB3      ARG  28  -2.619  -3.196   9.644
  232    HG2  ARG  28           HG2      ARG  28  -4.912  -3.372   8.583
  233    HG3  ARG  28           HG3      ARG  28  -4.623  -5.102   8.393
  234    HD2  ARG  28           HD2      ARG  28  -4.068  -5.028  10.959
  235    HD3  ARG  28           HD3      ARG  28  -4.952  -3.508  10.926
  236    HE   ARG  28           HE       ARG  28  -6.926  -4.703  10.627
  237   HH11  ARG  28          HH11      ARG  28  -4.176  -6.748  10.047
  238   HH12  ARG  28          HH12      ARG  28  -5.111  -8.205   9.985
  239   HH21  ARG  28          HH21      ARG  28  -8.131  -6.618  10.541
  240   HH22  ARG  28          HH22      ARG  28  -7.334  -8.131  10.267
  241    H    ALA  29           H        ALA  29  -0.521  -5.132   7.110
  242    HA   ALA  29           HA       ALA  29   1.622  -3.786   8.301
  243    HB1  ALA  29           HB1      ALA  29   1.677  -6.172   7.792
  244    HB2  ALA  29           HB2      ALA  29   3.059  -5.357   7.058
  245    HB3  ALA  29           HB3      ALA  29   1.679  -5.821   6.065
  246    H    PHE  30           H        PHE  30   1.002  -4.058   4.750
  247    HA   PHE  30           HA       PHE  30   3.093  -2.331   4.008
  248    HB2  PHE  30           HB2      PHE  30   0.607  -3.271   2.625
  249    HB3  PHE  30           HB3      PHE  30   1.586  -2.008   1.884
  250    HD1  PHE  30           HD1      PHE  30   3.911  -2.433   1.210
  251    HD2  PHE  30           HD2      PHE  30   1.488  -5.559   2.871
  252    HE1  PHE  30           HE1      PHE  30   5.557  -4.114   0.443
  253    HE2  PHE  30           HE2      PHE  30   3.129  -7.240   2.106
  254    HZ   PHE  30           HZ       PHE  30   5.170  -6.520   0.884
  255    H    ILE  31           H        ILE  31  -0.355  -1.564   4.567
  256    HA   ILE  31           HA       ILE  31  -0.161   1.169   3.882
  257    HB   ILE  31           HB       ILE  31  -2.089  -0.250   5.748
  258   HG12  ILE  31          HG12      ILE  31  -2.331   0.698   2.860
  259   HG13  ILE  31          HG13      ILE  31  -2.126  -0.977   3.364
  260   HG21  ILE  31          HG21      ILE  31  -3.519   1.813   5.317
  261   HG22  ILE  31          HG22      ILE  31  -2.074   2.586   4.666
  262   HG23  ILE  31          HG23      ILE  31  -2.124   2.086   6.357
  263   HD11  ILE  31          HD11      ILE  31  -4.536   0.791   3.581
  264   HD12  ILE  31          HD12      ILE  31  -4.299  -0.444   4.820
  265   HD13  ILE  31          HD13      ILE  31  -4.430  -0.908   3.125
  266    H    ARG  32           H        ARG  32   0.397  -0.538   6.948
  267    HA   ARG  32           HA       ARG  32   0.786   1.808   8.537
  268    HB2  ARG  32           HB2      ARG  32   0.298  -0.443   9.490
  269    HB3  ARG  32           HB3      ARG  32   1.902  -0.979   8.986
  270    HG2  ARG  32           HG2      ARG  32   2.955   0.713  10.418
  271    HG3  ARG  32           HG3      ARG  32   1.373   1.355  10.861
  272    HD2  ARG  32           HD2      ARG  32   2.087  -0.081  12.656
  273    HD3  ARG  32           HD3      ARG  32   0.803  -0.926  11.793
  274    HE   ARG  32           HE       ARG  32   3.245  -1.701  10.648
  275   HH11  ARG  32          HH11      ARG  32   1.565  -1.951  13.681
  276   HH12  ARG  32          HH12      ARG  32   2.320  -3.445  14.120
  277   HH21  ARG  32          HH21      ARG  32   4.220  -3.648  11.237
  278   HH22  ARG  32          HH22      ARG  32   3.817  -4.401  12.743
  279    H    SER  33           H        SER  33   2.957  -0.333   6.726
  280    HA   SER  33           HA       SER  33   5.420   0.784   7.507
  281    HB2  SER  33           HB2      SER  33   4.699  -0.514   4.866
  282    HB3  SER  33           HB3      SER  33   6.332  -0.255   5.474
  283    HG   SER  33           HG       SER  33   4.278  -1.816   6.676
  284    H    LEU  34           H        LEU  34   3.109   1.748   5.019
  285    HA   LEU  34           HA       LEU  34   4.632   3.528   3.511
  286    HB2  LEU  34           HB2      LEU  34   1.825   2.970   3.934
  287    HB3  LEU  34           HB3      LEU  34   2.066   4.706   3.806
  288    HG   LEU  34           HG       LEU  34   3.536   3.061   1.805
  289   HD11  LEU  34          HD11      LEU  34   1.407   1.836   1.894
  290   HD12  LEU  34          HD12      LEU  34   1.525   2.763   0.397
  291   HD13  LEU  34          HD13      LEU  34   0.516   3.352   1.719
  292   HD21  LEU  34          HD21      LEU  34   1.795   5.552   1.625
  293   HD22  LEU  34          HD22      LEU  34   2.802   4.908   0.330
  294   HD23  LEU  34          HD23      LEU  34   3.551   5.545   1.793
  295    H    TYR  35           H        TYR  35   2.711   4.241   6.432
  296    HA   TYR  35           HA       TYR  35   3.460   6.969   6.632
  297    HB2  TYR  35           HB2      TYR  35   1.509   5.929   7.807
  298    HB3  TYR  35           HB3      TYR  35   2.637   5.092   8.872
  299    HD1  TYR  35           HD1      TYR  35   1.348   8.419   7.844
  300    HD2  TYR  35           HD2      TYR  35   3.815   6.271  10.637
  301    HE1  TYR  35           HE1      TYR  35   1.489  10.438   9.276
  302    HE2  TYR  35           HE2      TYR  35   3.953   8.294  12.066
  303    HH   TYR  35           HH       TYR  35   2.061  10.607  12.161
  304    H    ASP  36           H        ASP  36   4.783   3.992   8.039
  305    HA   ASP  36           HA       ASP  36   6.724   5.169   9.704
  306    HB2  ASP  36           HB2      ASP  36   5.906   2.724   9.610
  307    HB3  ASP  36           HB3      ASP  36   7.098   2.508   8.329
  308    H    ASP  37           H        ASP  37   6.850   4.258   6.269
  309    HA   ASP  37           HA       ASP  37   9.342   5.814   5.979
  310    HB2  ASP  37           HB2      ASP  37   8.979   2.983   4.948
  311    HB3  ASP  37           HB3      ASP  37  10.356   4.029   4.602
  312    HA   PRO  38           HA       PRO  38   6.088   6.900   2.792
  313    HB2  PRO  38           HB2      PRO  38   7.662   9.432   2.969
  314    HB3  PRO  38           HB3      PRO  38   5.906   9.191   2.959
  315    HG2  PRO  38           HG2      PRO  38   7.190   9.829   5.191
  316    HG3  PRO  38           HG3      PRO  38   5.825   8.699   5.206
  317    HD2  PRO  38           HD2      PRO  38   8.754   8.117   5.424
  318    HD3  PRO  38           HD3      PRO  38   7.383   7.318   6.222
  319    H    SER  39           H        SER  39   9.568   7.129   2.908
  320    HA   SER  39           HA       SER  39  10.157   7.867   0.266
  321    HB2  SER  39           HB2      SER  39  11.795   7.743   2.161
  322    HB3  SER  39           HB3      SER  39  11.768   5.989   2.010
  323    HG   SER  39           HG       SER  39  12.286   6.473  -0.308
  324    H    GLN  40           H        GLN  40   9.225   4.753   1.629
  325    HA   GLN  40           HA       GLN  40   9.836   3.330  -0.856
  326    HB2  GLN  40           HB2      GLN  40   8.576   2.286   1.695
  327    HB3  GLN  40           HB3      GLN  40   9.250   1.324   0.381
  328    HG2  GLN  40           HG2      GLN  40  10.805   3.219   2.174
  329    HG3  GLN  40           HG3      GLN  40  10.826   1.463   2.272
  330   HE21  GLN  40          HE21      GLN  40  12.695   3.938   1.185
  331   HE22  GLN  40          HE22      GLN  40  13.458   3.176  -0.128
  332    H    SER  41           H        SER  41   7.381   5.299   0.026
  333    HA   SER  41           HA       SER  41   4.945   4.145  -0.150
  334    HB2  SER  41           HB2      SER  41   4.207   6.160  -1.475
  335    HB3  SER  41           HB3      SER  41   5.107   6.519  -0.006
  336    HG   SER  41           HG       SER  41   6.804   7.130  -1.179
  337    H    ALA  42           H        ALA  42   6.789   5.047  -3.075
  338    HA   ALA  42           HA       ALA  42   4.982   3.920  -4.930
  339    HB1  ALA  42           HB1      ALA  42   6.742   5.566  -5.519
  340    HB2  ALA  42           HB2      ALA  42   6.803   4.134  -6.545
  341    HB3  ALA  42           HB3      ALA  42   7.969   4.331  -5.236
  342    H    ASN  43           H        ASN  43   7.805   2.585  -3.273
  343    HA   ASN  43           HA       ASN  43   7.922   0.132  -4.724
  344    HB2  ASN  43           HB2      ASN  43   8.936   0.801  -1.950
  345    HB3  ASN  43           HB3      ASN  43   9.350  -0.648  -2.856
  346   HD21  ASN  43          HD21      ASN  43  11.398   1.047  -2.047
  347   HD22  ASN  43          HD22      ASN  43  12.045   1.864  -3.391
  348    H    LEU  44           H        LEU  44   6.562   0.947  -1.525
  349    HA   LEU  44           HA       LEU  44   5.654  -1.594  -0.800
  350    HB2  LEU  44           HB2      LEU  44   4.445   1.083  -0.173
  351    HB3  LEU  44           HB3      LEU  44   4.090  -0.394   0.690
  352    HG   LEU  44           HG       LEU  44   6.868   0.827   0.472
  353   HD11  LEU  44          HD11      LEU  44   6.462   1.308   2.955
  354   HD12  LEU  44          HD12      LEU  44   4.751   1.043   2.618
  355   HD13  LEU  44          HD13      LEU  44   5.622   2.344   1.804
  356   HD21  LEU  44          HD21      LEU  44   6.978  -1.562   0.871
  357   HD22  LEU  44          HD22      LEU  44   5.755  -1.448   2.138
  358   HD23  LEU  44          HD23      LEU  44   7.348  -0.727   2.376
  359    H    LEU  45           H        LEU  45   4.034   0.938  -2.703
  360    HA   LEU  45           HA       LEU  45   1.510  -0.330  -2.947
  361    HB2  LEU  45           HB2      LEU  45   1.664   1.981  -3.527
  362    HB3  LEU  45           HB3      LEU  45   2.982   1.685  -4.651
  363    HG   LEU  45           HG       LEU  45   1.433   0.426  -6.135
  364   HD11  LEU  45          HD11      LEU  45  -0.974   0.412  -5.688
  365   HD12  LEU  45          HD12      LEU  45  -0.723   1.273  -4.170
  366   HD13  LEU  45          HD13      LEU  45  -0.124  -0.373  -4.363
  367   HD21  LEU  45          HD21      LEU  45   1.738   2.921  -6.346
  368   HD22  LEU  45          HD22      LEU  45   0.265   3.127  -5.396
  369   HD23  LEU  45          HD23      LEU  45   0.198   2.329  -6.969
  370    H    ALA  46           H        ALA  46   4.354  -0.298  -5.064
  371    HA   ALA  46           HA       ALA  46   3.387  -2.082  -7.045
  372    HB1  ALA  46           HB1      ALA  46   5.405  -0.656  -7.323
  373    HB2  ALA  46           HB2      ALA  46   5.735  -2.350  -7.687
  374    HB3  ALA  46           HB3      ALA  46   6.256  -1.661  -6.148
  375    H    GLU  47           H        GLU  47   5.167  -2.590  -4.040
  376    HA   GLU  47           HA       GLU  47   5.592  -5.375  -4.254
  377    HB2  GLU  47           HB2      GLU  47   5.461  -3.426  -1.943
  378    HB3  GLU  47           HB3      GLU  47   5.716  -5.160  -1.683
  379    HG2  GLU  47           HG2      GLU  47   7.437  -3.471  -3.529
  380    HG3  GLU  47           HG3      GLU  47   7.853  -3.803  -1.851
  381    H    ALA  48           H        ALA  48   2.911  -3.448  -2.961
  382    HA   ALA  48           HA       ALA  48   1.465  -5.598  -1.796
  383    HB1  ALA  48           HB1      ALA  48  -0.437  -4.072  -1.790
  384    HB2  ALA  48           HB2      ALA  48   0.374  -3.010  -2.941
  385    HB3  ALA  48           HB3      ALA  48   1.016  -3.196  -1.309
  386    H    LYS  49           H        LYS  49   1.436  -4.086  -5.001
  387    HA   LYS  49           HA       LYS  49  -0.695  -5.594  -6.101
  388    HB2  LYS  49           HB2      LYS  49   0.688  -3.478  -6.994
  389    HB3  LYS  49           HB3      LYS  49   1.567  -4.740  -7.857
  390    HG2  LYS  49           HG2      LYS  49  -0.760  -5.616  -8.579
  391    HG3  LYS  49           HG3      LYS  49  -1.376  -4.067  -8.016
  392    HD2  LYS  49           HD2      LYS  49   0.628  -3.128  -9.521
  393    HD3  LYS  49           HD3      LYS  49   0.393  -4.667 -10.353
  394    HE2  LYS  49           HE2      LYS  49  -2.074  -4.095 -10.506
  395    HE3  LYS  49           HE3      LYS  49  -1.667  -2.486  -9.899
  396    HZ1  LYS  49           HZ1      LYS  49  -0.627  -3.761 -12.375
  397    HZ2  LYS  49           HZ2      LYS  49  -0.109  -2.263 -11.772
  398    HZ3  LYS  49           HZ3      LYS  49  -1.716  -2.460 -12.288
  399    H    LYS  50           H        LYS  50   2.769  -6.157  -5.784
  400    HA   LYS  50           HA       LYS  50   3.066  -8.394  -7.460
  401    HB2  LYS  50           HB2      LYS  50   4.894  -7.039  -6.360
  402    HB3  LYS  50           HB3      LYS  50   4.527  -7.878  -4.857
  403    HG2  LYS  50           HG2      LYS  50   5.088 -10.027  -5.843
  404    HG3  LYS  50           HG3      LYS  50   5.267  -9.295  -7.437
  405    HD2  LYS  50           HD2      LYS  50   7.491  -9.502  -6.630
  406    HD3  LYS  50           HD3      LYS  50   7.079  -7.808  -6.371
  407    HE2  LYS  50           HE2      LYS  50   6.435  -8.398  -4.004
  408    HE3  LYS  50           HE3      LYS  50   7.057 -10.023  -4.297
  409    HZ1  LYS  50           HZ1      LYS  50   9.196  -8.950  -4.934
  410    HZ2  LYS  50           HZ2      LYS  50   8.780  -8.757  -3.301
  411    HZ3  LYS  50           HZ3      LYS  50   8.566  -7.467  -4.388
  412    H    LEU  51           H        LEU  51   2.220  -8.135  -4.019
  413    HA   LEU  51           HA       LEU  51   2.046 -10.911  -3.468
  414    HB2  LEU  51           HB2      LEU  51   0.794  -8.475  -2.186
  415    HB3  LEU  51           HB3      LEU  51   0.551 -10.096  -1.538
  416    HG   LEU  51           HG       LEU  51   3.291  -8.872  -2.032
  417   HD11  LEU  51          HD11      LEU  51   1.539  -8.901   0.430
  418   HD12  LEU  51          HD12      LEU  51   2.335  -7.524  -0.329
  419   HD13  LEU  51          HD13      LEU  51   3.291  -8.731   0.531
  420   HD21  LEU  51          HD21      LEU  51   3.830 -10.726  -0.268
  421   HD22  LEU  51          HD22      LEU  51   3.557 -11.216  -1.938
  422   HD23  LEU  51          HD23      LEU  51   2.277 -11.410  -0.742
  423    H    ASN  52           H        ASN  52  -0.344  -8.522  -4.546
  424    HA   ASN  52           HA       ASN  52  -2.623 -10.187  -4.508
  425    HB2  ASN  52           HB2      ASN  52  -2.930  -7.833  -4.725
  426    HB3  ASN  52           HB3      ASN  52  -1.901  -7.747  -6.146
  427   HD21  ASN  52          HD21      ASN  52  -5.061  -8.986  -5.005
  428   HD22  ASN  52          HD22      ASN  52  -5.778  -9.020  -6.544
  429    H    ASP  53           H        ASP  53  -0.324  -9.420  -7.113
  430    HA   ASP  53           HA       ASP  53  -1.515 -11.002  -9.123
  431    HB2  ASP  53           HB2      ASP  53   0.214  -9.250  -9.492
  432    HB3  ASP  53           HB3      ASP  53   1.422 -10.323  -8.813
  433    H    ALA  54           H        ALA  54   0.908 -11.780  -6.658
  434    HA   ALA  54           HA       ALA  54   1.465 -14.379  -7.713
  435    HB1  ALA  54           HB1      ALA  54   3.141 -13.196  -6.415
  436    HB2  ALA  54           HB2      ALA  54   2.720 -14.698  -5.593
  437    HB3  ALA  54           HB3      ALA  54   2.075 -13.162  -5.011
  438    H    GLN  55           H        GLN  55  -0.327 -13.289  -4.807
  439    HA   GLN  55           HA       GLN  55  -1.141 -15.885  -3.990
  440    HB2  GLN  55           HB2      GLN  55  -2.335 -13.170  -3.344
  441    HB3  GLN  55           HB3      GLN  55  -2.777 -14.677  -2.550
  442    HG2  GLN  55           HG2      GLN  55  -0.641 -14.928  -1.564
  443    HG3  GLN  55           HG3      GLN  55   0.103 -13.770  -2.665
  444   HE21  GLN  55          HE21      GLN  55  -1.498 -11.569  -2.543
  445   HE22  GLN  55          HE22      GLN  55  -1.622 -10.978  -0.961
  446    H    ALA  56           H        ALA  56  -2.499 -13.626  -6.292
  447    HA   ALA  56           HA       ALA  56  -5.152 -14.459  -6.388
  448    HB1  ALA  56           HB1      ALA  56  -4.968 -13.766  -8.874
  449    HB2  ALA  56           HB2      ALA  56  -3.300 -13.347  -8.486
  450    HB3  ALA  56           HB3      ALA  56  -4.629 -12.547  -7.646
  451    HA   PRO  57           HA       PRO  57  -5.092 -18.561  -8.041
  452    HB2  PRO  57           HB2      PRO  57  -7.484 -18.617  -9.387
  453    HB3  PRO  57           HB3      PRO  57  -7.351 -18.681  -7.619
  454    HG2  PRO  57           HG2      PRO  57  -8.019 -16.380  -9.381
  455    HG3  PRO  57           HG3      PRO  57  -8.682 -16.824  -7.799
  456    HD2  PRO  57           HD2      PRO  57  -6.815 -14.853  -8.146
  457    HD3  PRO  57           HD3      PRO  57  -6.975 -15.790  -6.645
  458    H    LYS  58           H        LYS  58  -4.780 -19.772  -9.938
  459    HA   LYS  58           HA       LYS  58  -4.022 -18.198 -12.317
  460    HB2  LYS  58           HB2      LYS  58  -3.201 -20.947 -11.339
  461    HB3  LYS  58           HB3      LYS  58  -2.778 -20.325 -12.933
  462    HG2  LYS  58           HG2      LYS  58  -0.901 -19.692 -11.708
  463    HG3  LYS  58           HG3      LYS  58  -1.891 -18.240 -11.568
  464    HD2  LYS  58           HD2      LYS  58  -2.733 -19.039  -9.369
  465    HD3  LYS  58           HD3      LYS  58  -1.726 -20.476  -9.514
  466    HE2  LYS  58           HE2      LYS  58   0.237 -19.309  -9.136
  467    HE3  LYS  58           HE3      LYS  58  -0.405 -17.804  -9.794
  468    HZ1  LYS  58           HZ1      LYS  58  -0.250 -17.546  -7.455
  469    HZ2  LYS  58           HZ2      LYS  58  -1.026 -19.029  -7.165
  470    HZ3  LYS  58           HZ3      LYS  58  -1.903 -17.726  -7.819
  Start of MODEL   13
    1    H    VAL   1           H        VAL   1   6.975  20.519  -2.583
    2    HA   VAL   1           HA       VAL   1   4.930  20.336  -1.325
    3    HB   VAL   1           HB       VAL   1   7.408  19.672   0.322
    4   HG11  VAL   1          HG11      VAL   1   5.994  17.840   1.228
    5   HG12  VAL   1          HG12      VAL   1   4.619  18.461   0.316
    6   HG13  VAL   1          HG13      VAL   1   5.326  19.425   1.613
    7   HG21  VAL   1          HG21      VAL   1   7.168  17.423  -0.820
    8   HG22  VAL   1          HG22      VAL   1   7.659  18.731  -1.897
    9   HG23  VAL   1          HG23      VAL   1   5.989  18.163  -1.902
   10    H    ASP   2           H        ASP   2   3.642  21.824  -0.378
   11    HA   ASP   2           HA       ASP   2   4.616  23.967   1.243
   12    HB2  ASP   2           HB2      ASP   2   1.794  22.923   0.834
   13    HB3  ASP   2           HB3      ASP   2   2.201  24.431   1.649
   14    H    ASN   3           H        ASN   3   2.190  21.525   2.210
   15    HA   ASN   3           HA       ASN   3   3.154  21.656   4.974
   16    HB2  ASN   3           HB2      ASN   3   0.790  20.175   3.777
   17    HB3  ASN   3           HB3      ASN   3   1.149  20.319   5.496
   18   HD21  ASN   3          HD21      ASN   3   1.668  22.928   5.969
   19   HD22  ASN   3          HD22      ASN   3   0.415  23.937   5.423
   20    H    LYS   4           H        LYS   4   2.271  19.035   2.703
   21    HA   LYS   4           HA       LYS   4   4.699  17.609   2.955
   22    HB2  LYS   4           HB2      LYS   4   3.675  17.253   5.276
   23    HB3  LYS   4           HB3      LYS   4   2.451  16.279   4.468
   24    HG2  LYS   4           HG2      LYS   4   4.171  14.793   3.563
   25    HG3  LYS   4           HG3      LYS   4   5.441  15.807   4.252
   26    HD2  LYS   4           HD2      LYS   4   4.404  15.350   6.535
   27    HD3  LYS   4           HD3      LYS   4   3.397  14.136   5.743
   28    HE2  LYS   4           HE2      LYS   4   5.377  12.923   4.991
   29    HE3  LYS   4           HE3      LYS   4   6.430  14.176   5.649
   30    HZ1  LYS   4           HZ1      LYS   4   4.542  12.535   7.253
   31    HZ2  LYS   4           HZ2      LYS   4   5.645  13.675   7.853
   32    HZ3  LYS   4           HZ3      LYS   4   6.212  12.247   7.130
   33    H    PHE   5           H        PHE   5   4.721  15.689   1.663
   34    HA   PHE   5           HA       PHE   5   2.756  15.722  -0.454
   35    HB2  PHE   5           HB2      PHE   5   4.219  13.936  -1.473
   36    HB3  PHE   5           HB3      PHE   5   5.014  15.475  -1.173
   37    HD1  PHE   5           HD1      PHE   5   6.490  15.732   0.875
   38    HD2  PHE   5           HD2      PHE   5   4.978  11.916  -0.406
   39    HE1  PHE   5           HE1      PHE   5   8.215  14.590   2.235
   40    HE2  PHE   5           HE2      PHE   5   6.700  10.778   0.963
   41    HZ   PHE   5           HZ       PHE   5   8.320  12.117   2.280
   42    H    ASN   6           H        ASN   6   1.087  15.159   1.248
   43    HA   ASN   6           HA       ASN   6   0.904  12.328   1.940
   44    HB2  ASN   6           HB2      ASN   6  -1.088  14.571   2.372
   45    HB3  ASN   6           HB3      ASN   6  -1.152  12.967   3.096
   46   HD21  ASN   6          HD21      ASN   6  -0.570  15.948   4.092
   47   HD22  ASN   6          HD22      ASN   6   0.737  15.710   5.152
   48    H    LYS   7           H        LYS   7   0.136  14.162  -0.786
   49    HA   LYS   7           HA       LYS   7  -2.392  13.170  -1.542
   50    HB2  LYS   7           HB2      LYS   7  -1.186  15.095  -2.610
   51    HB3  LYS   7           HB3      LYS   7  -0.107  13.937  -3.381
   52    HG2  LYS   7           HG2      LYS   7  -1.762  14.381  -5.021
   53    HG3  LYS   7           HG3      LYS   7  -2.244  12.834  -4.332
   54    HD2  LYS   7           HD2      LYS   7  -3.900  13.926  -2.909
   55    HD3  LYS   7           HD3      LYS   7  -3.351  15.518  -3.430
   56    HE2  LYS   7           HE2      LYS   7  -4.401  13.456  -5.384
   57    HE3  LYS   7           HE3      LYS   7  -5.458  14.614  -4.577
   58    HZ1  LYS   7           HZ1      LYS   7  -3.057  15.677  -5.847
   59    HZ2  LYS   7           HZ2      LYS   7  -4.613  16.343  -5.738
   60    HZ3  LYS   7           HZ3      LYS   7  -4.289  15.129  -6.881
   61    H    GLU   8           H        GLU   8   0.862  12.042  -2.487
   62    HA   GLU   8           HA       GLU   8   0.026   9.814  -4.000
   63    HB2  GLU   8           HB2      GLU   8   2.612  10.369  -2.521
   64    HB3  GLU   8           HB3      GLU   8   2.371   8.965  -3.556
   65    HG2  GLU   8           HG2      GLU   8   3.393  10.587  -4.965
   66    HG3  GLU   8           HG3      GLU   8   1.692  10.603  -5.407
   67    H    MET   9           H        MET   9   0.586  10.245  -0.557
   68    HA   MET   9           HA       MET   9   0.604   7.525   0.215
   69    HB2  MET   9           HB2      MET   9  -0.270   9.984   1.764
   70    HB3  MET   9           HB3      MET   9   0.024   8.396   2.470
   71    HG2  MET   9           HG2      MET   9   2.361   8.469   1.657
   72    HG3  MET   9           HG3      MET   9   2.068  10.066   0.969
   73    HE1  MET   9           HE1      MET   9   3.884  11.447   2.318
   74    HE2  MET   9           HE2      MET   9   4.375   9.754   2.524
   75    HE3  MET   9           HE3      MET   9   4.388  10.853   3.902
   76    H    ARG  10           H        ARG  10  -2.044   9.887  -0.125
   77    HA   ARG  10           HA       ARG  10  -4.119   8.220   0.847
   78    HB2  ARG  10           HB2      ARG  10  -4.165  10.558  -1.079
   79    HB3  ARG  10           HB3      ARG  10  -5.623   9.760  -0.487
   80    HG2  ARG  10           HG2      ARG  10  -4.981  10.276   1.838
   81    HG3  ARG  10           HG3      ARG  10  -3.506  11.051   1.269
   82    HD2  ARG  10           HD2      ARG  10  -5.128  12.789   1.681
   83    HD3  ARG  10           HD3      ARG  10  -4.938  12.640  -0.065
   84    HE   ARG  10           HE       ARG  10  -7.051  10.960   0.736
   85   HH11  ARG  10          HH11      ARG  10  -6.268  14.342   0.561
   86   HH12  ARG  10          HH12      ARG  10  -7.912  14.842   0.354
   87   HH21  ARG  10          HH21      ARG  10  -9.190  11.630   0.465
   88   HH22  ARG  10          HH22      ARG  10  -9.557  13.313   0.300
   89    H    ASN  11           H        ASN  11  -2.714   8.659  -2.379
   90    HA   ASN  11           HA       ASN  11  -4.617   7.116  -3.808
   91    HB2  ASN  11           HB2      ASN  11  -1.726   7.799  -4.363
   92    HB3  ASN  11           HB3      ASN  11  -2.705   6.854  -5.483
   93   HD21  ASN  11          HD21      ASN  11  -1.929  10.064  -4.516
   94   HD22  ASN  11          HD22      ASN  11  -3.150  10.854  -5.392
   95    H    ALA  12           H        ALA  12  -1.394   6.172  -2.532
   96    HA   ALA  12           HA       ALA  12  -1.683   3.425  -3.241
   97    HB1  ALA  12           HB1      ALA  12   0.521   4.523  -2.845
   98    HB2  ALA  12           HB2      ALA  12   0.318   3.035  -1.923
   99    HB3  ALA  12           HB3      ALA  12   0.139   4.600  -1.124
  100    H    TYR  13           H        TYR  13  -2.521   5.278  -0.361
  101    HA   TYR  13           HA       TYR  13  -2.916   3.234   1.510
  102    HB2  TYR  13           HB2      TYR  13  -2.998   5.610   2.094
  103    HB3  TYR  13           HB3      TYR  13  -4.446   5.829   1.120
  104    HD1  TYR  13           HD1      TYR  13  -6.606   4.749   1.825
  105    HD2  TYR  13           HD2      TYR  13  -3.102   4.678   4.315
  106    HE1  TYR  13           HE1      TYR  13  -8.003   4.136   3.776
  107    HE2  TYR  13           HE2      TYR  13  -4.506   4.067   6.266
  108    HH   TYR  13           HH       TYR  13  -7.245   2.770   6.224
  109    H    TRP  14           H        TRP  14  -5.349   4.731  -0.616
  110    HA   TRP  14           HA       TRP  14  -7.416   2.867   0.003
  111    HB2  TRP  14           HB2      TRP  14  -7.761   5.200  -0.827
  112    HB3  TRP  14           HB3      TRP  14  -7.171   4.679  -2.400
  113    HD1  TRP  14           HD1      TRP  14  -8.805   3.348  -3.939
  114    HE1  TRP  14           HE1      TRP  14 -11.285   2.668  -3.745
  115    HE3  TRP  14           HE3      TRP  14  -9.650   4.468   0.975
  116    HZ2  TRP  14           HZ2      TRP  14 -13.352   2.608  -1.772
  117    HZ3  TRP  14           HZ3      TRP  14 -11.882   4.090   1.984
  118    HH2  TRP  14           HH2      TRP  14 -13.733   3.162   0.618
  119    H    GLU  15           H        GLU  15  -5.162   3.174  -2.748
  120    HA   GLU  15           HA       GLU  15  -6.225   1.164  -4.378
  121    HB2  GLU  15           HB2      GLU  15  -4.479   2.818  -5.062
  122    HB3  GLU  15           HB3      GLU  15  -3.301   1.911  -4.119
  123    HG2  GLU  15           HG2      GLU  15  -3.140   1.203  -6.439
  124    HG3  GLU  15           HG3      GLU  15  -3.814  -0.120  -5.498
  125    H    ILE  16           H        ILE  16  -3.655   0.903  -1.904
  126    HA   ILE  16           HA       ILE  16  -3.187  -1.874  -2.256
  127    HB   ILE  16           HB       ILE  16  -2.737  -0.079   0.151
  128   HG12  ILE  16          HG12      ILE  16  -0.725  -1.195  -1.829
  129   HG13  ILE  16          HG13      ILE  16  -1.491   0.372  -2.048
  130   HG21  ILE  16          HG21      ILE  16  -1.037  -1.976   0.708
  131   HG22  ILE  16          HG22      ILE  16  -2.023  -2.972  -0.359
  132   HG23  ILE  16          HG23      ILE  16  -2.737  -2.254   1.083
  133   HD11  ILE  16          HD11      ILE  16   0.616   0.753  -0.941
  134   HD12  ILE  16          HD12      ILE  16   0.275  -0.497   0.254
  135   HD13  ILE  16          HD13      ILE  16  -0.652   1.004   0.257
  136    H    ALA  17           H        ALA  17  -5.200  -0.107   0.103
  137    HA   ALA  17           HA       ALA  17  -6.200  -2.314   1.505
  138    HB1  ALA  17           HB1      ALA  17  -7.523   0.354   0.943
  139    HB2  ALA  17           HB2      ALA  17  -6.470  -0.026   2.306
  140    HB3  ALA  17           HB3      ALA  17  -8.049  -0.800   2.170
  141    H    LEU  18           H        LEU  18  -7.160  -0.963  -1.589
  142    HA   LEU  18           HA       LEU  18  -9.715  -2.097  -1.848
  143    HB2  LEU  18           HB2      LEU  18  -8.744  -0.341  -3.342
  144    HB3  LEU  18           HB3      LEU  18  -7.726  -1.576  -4.072
  145    HG   LEU  18           HG       LEU  18  -9.833  -2.857  -4.659
  146   HD11  LEU  18          HD11      LEU  18 -11.470  -2.006  -3.165
  147   HD12  LEU  18          HD12      LEU  18 -11.916  -1.328  -4.728
  148   HD13  LEU  18          HD13      LEU  18 -11.071  -0.331  -3.545
  149   HD21  LEU  18          HD21      LEU  18 -10.423  -1.365  -6.554
  150   HD22  LEU  18          HD22      LEU  18  -8.677  -1.467  -6.327
  151   HD23  LEU  18          HD23      LEU  18  -9.556  -0.043  -5.772
  152    H    LEU  19           H        LEU  19  -6.507  -3.505  -2.487
  153    HA   LEU  19           HA       LEU  19  -7.410  -5.795  -3.893
  154    HB2  LEU  19           HB2      LEU  19  -4.908  -4.986  -2.501
  155    HB3  LEU  19           HB3      LEU  19  -5.143  -6.708  -2.759
  156    HG   LEU  19           HG       LEU  19  -5.154  -6.491  -5.106
  157   HD11  LEU  19          HD11      LEU  19  -6.715  -4.746  -5.529
  158   HD12  LEU  19          HD12      LEU  19  -5.192  -4.175  -6.209
  159   HD13  LEU  19          HD13      LEU  19  -5.747  -3.559  -4.652
  160   HD21  LEU  19          HD21      LEU  19  -2.930  -5.942  -3.963
  161   HD22  LEU  19          HD22      LEU  19  -3.278  -4.250  -4.314
  162   HD23  LEU  19          HD23      LEU  19  -3.092  -5.404  -5.633
  163    HA   PRO  20           HA       PRO  20  -9.229  -7.815  -0.288
  164    HB2  PRO  20           HB2      PRO  20 -10.734  -9.598  -1.587
  165    HB3  PRO  20           HB3      PRO  20 -11.078  -7.859  -1.693
  166    HG2  PRO  20           HG2      PRO  20  -9.705  -9.632  -3.661
  167    HG3  PRO  20           HG3      PRO  20 -10.887  -8.344  -3.940
  168    HD2  PRO  20           HD2      PRO  20  -8.118  -8.065  -4.188
  169    HD3  PRO  20           HD3      PRO  20  -9.273  -6.727  -3.997
  170    H    ASN  21           H        ASN  21  -7.146  -9.452  -2.606
  171    HA   ASN  21           HA       ASN  21  -7.239 -11.979  -1.158
  172    HB2  ASN  21           HB2      ASN  21  -5.325 -12.483  -2.920
  173    HB3  ASN  21           HB3      ASN  21  -7.024 -12.482  -3.378
  174   HD21  ASN  21          HD21      ASN  21  -6.974 -11.652  -5.483
  175   HD22  ASN  21          HD22      ASN  21  -6.268 -10.165  -5.895
  176    H    LEU  22           H        LEU  22  -5.561  -9.119  -0.666
  177    HA   LEU  22           HA       LEU  22  -3.011 -10.243   0.062
  178    HB2  LEU  22           HB2      LEU  22  -4.190  -7.621   1.003
  179    HB3  LEU  22           HB3      LEU  22  -2.498  -8.116   1.098
  180    HG   LEU  22           HG       LEU  22  -3.915  -7.979  -1.555
  181   HD11  LEU  22          HD11      LEU  22  -4.194  -5.766  -0.558
  182   HD12  LEU  22          HD12      LEU  22  -2.914  -5.677  -1.766
  183   HD13  LEU  22          HD13      LEU  22  -2.505  -5.744  -0.055
  184   HD21  LEU  22          HD21      LEU  22  -1.632  -9.111  -1.182
  185   HD22  LEU  22          HD22      LEU  22  -1.008  -7.490  -0.869
  186   HD23  LEU  22          HD23      LEU  22  -1.712  -7.883  -2.439
  187    H    ASN  23           H        ASN  23  -2.394 -11.152   1.903
  188    HA   ASN  23           HA       ASN  23  -4.213 -12.063   3.844
  189    HB2  ASN  23           HB2      ASN  23  -1.906 -12.977   3.513
  190    HB3  ASN  23           HB3      ASN  23  -1.263 -11.537   4.298
  191   HD21  ASN  23          HD21      ASN  23  -3.199 -14.472   4.868
  192   HD22  ASN  23          HD22      ASN  23  -3.075 -14.420   6.562
  193    H    ASN  24           H        ASN  24  -4.630 -11.399   6.013
  194    HA   ASN  24           HA       ASN  24  -5.240  -8.712   6.398
  195    HB2  ASN  24           HB2      ASN  24  -4.731 -10.847   8.488
  196    HB3  ASN  24           HB3      ASN  24  -5.518  -9.302   8.798
  197   HD21  ASN  24          HD21      ASN  24  -7.349  -8.944   6.856
  198   HD22  ASN  24          HD22      ASN  24  -8.410 -10.263   6.724
  199    H    GLN  25           H        GLN  25  -2.331 -10.484   7.403
  200    HA   GLN  25           HA       GLN  25  -1.190  -8.314   8.890
  201    HB2  GLN  25           HB2      GLN  25   0.070 -10.799   7.693
  202    HB3  GLN  25           HB3      GLN  25   0.899  -9.680   8.775
  203    HG2  GLN  25           HG2      GLN  25  -0.839 -10.101  10.507
  204    HG3  GLN  25           HG3      GLN  25  -1.603 -11.271   9.432
  205   HE21  GLN  25          HE21      GLN  25  -0.968 -13.390   9.855
  206   HE22  GLN  25          HE22      GLN  25   0.532 -13.845  10.508
  207    H    GLN  26           H        GLN  26  -0.668  -9.594   5.617
  208    HA   GLN  26           HA       GLN  26   1.426  -7.885   4.855
  209    HB2  GLN  26           HB2      GLN  26  -0.702  -9.248   3.189
  210    HB3  GLN  26           HB3      GLN  26   0.731  -8.464   2.524
  211    HG2  GLN  26           HG2      GLN  26   2.194  -9.988   3.750
  212    HG3  GLN  26           HG3      GLN  26   0.811 -10.725   4.552
  213   HE21  GLN  26          HE21      GLN  26  -0.971 -11.020   2.350
  214   HE22  GLN  26          HE22      GLN  26  -0.284 -12.108   1.240
  215    H    LYS  27           H        LYS  27  -2.101  -7.510   4.417
  216    HA   LYS  27           HA       LYS  27  -2.033  -5.149   2.893
  217    HB2  LYS  27           HB2      LYS  27  -4.043  -6.593   3.245
  218    HB3  LYS  27           HB3      LYS  27  -4.170  -5.959   4.885
  219    HG2  LYS  27           HG2      LYS  27  -4.335  -3.644   3.931
  220    HG3  LYS  27           HG3      LYS  27  -4.336  -4.344   2.314
  221    HD2  LYS  27           HD2      LYS  27  -6.366  -5.052   4.460
  222    HD3  LYS  27           HD3      LYS  27  -6.637  -3.828   3.223
  223    HE2  LYS  27           HE2      LYS  27  -5.822  -5.938   1.678
  224    HE3  LYS  27           HE3      LYS  27  -6.652  -6.780   2.987
  225    HZ1  LYS  27           HZ1      LYS  27  -7.914  -4.446   1.705
  226    HZ2  LYS  27           HZ2      LYS  27  -8.641  -5.756   2.503
  227    HZ3  LYS  27           HZ3      LYS  27  -7.983  -5.967   0.948
  228    H    ARG  28           H        ARG  28  -2.460  -5.534   6.411
  229    HA   ARG  28           HA       ARG  28  -2.460  -2.758   7.010
  230    HB2  ARG  28           HB2      ARG  28  -1.876  -5.186   8.724
  231    HB3  ARG  28           HB3      ARG  28  -2.022  -3.546   9.357
  232    HG2  ARG  28           HG2      ARG  28  -4.321  -3.396   8.438
  233    HG3  ARG  28           HG3      ARG  28  -4.180  -5.042   7.822
  234    HD2  ARG  28           HD2      ARG  28  -3.941  -4.272  10.748
  235    HD3  ARG  28           HD3      ARG  28  -5.397  -4.924  10.000
  236    HE   ARG  28           HE       ARG  28  -3.370  -6.728   9.406
  237   HH11  ARG  28          HH11      ARG  28  -4.860  -5.414  12.262
  238   HH12  ARG  28          HH12      ARG  28  -4.578  -6.830  13.215
  239   HH21  ARG  28          HH21      ARG  28  -3.014  -8.567  10.666
  240   HH22  ARG  28          HH22      ARG  28  -3.537  -8.607  12.315
  241    H    ALA  29           H        ALA  29   0.103  -5.157   6.729
  242    HA   ALA  29           HA       ALA  29   2.173  -3.754   8.002
  243    HB1  ALA  29           HB1      ALA  29   2.456  -6.080   7.503
  244    HB2  ALA  29           HB2      ALA  29   3.684  -5.198   6.597
  245    HB3  ALA  29           HB3      ALA  29   2.244  -5.797   5.776
  246    H    PHE  30           H        PHE  30   1.197  -3.718   4.535
  247    HA   PHE  30           HA       PHE  30   3.324  -2.086   3.659
  248    HB2  PHE  30           HB2      PHE  30   0.558  -2.558   2.556
  249    HB3  PHE  30           HB3      PHE  30   1.684  -1.452   1.778
  250    HD1  PHE  30           HD1      PHE  30   4.190  -2.456   1.614
  251    HD2  PHE  30           HD2      PHE  30   0.579  -4.775   1.743
  252    HE1  PHE  30           HE1      PHE  30   5.368  -4.333   0.524
  253    HE2  PHE  30           HE2      PHE  30   1.761  -6.659   0.652
  254    HZ   PHE  30           HZ       PHE  30   4.162  -6.435   0.038
  255    H    ILE  31           H        ILE  31  -0.054  -1.021   4.227
  256    HA   ILE  31           HA       ILE  31   0.444   1.709   3.997
  257    HB   ILE  31           HB       ILE  31  -1.705   0.265   5.575
  258   HG12  ILE  31          HG12      ILE  31  -1.631   1.538   2.804
  259   HG13  ILE  31          HG13      ILE  31  -1.709  -0.187   3.147
  260   HG21  ILE  31          HG21      ILE  31  -1.463   2.557   6.436
  261   HG22  ILE  31          HG22      ILE  31  -2.928   2.438   5.470
  262   HG23  ILE  31          HG23      ILE  31  -1.489   3.198   4.793
  263   HD11  ILE  31          HD11      ILE  31  -3.849   1.906   3.473
  264   HD12  ILE  31          HD12      ILE  31  -3.901   0.441   4.456
  265   HD13  ILE  31          HD13      ILE  31  -3.947   0.328   2.696
  266    H    ARG  32           H        ARG  32   0.614  -0.340   6.924
  267    HA   ARG  32           HA       ARG  32   1.067   1.766   8.769
  268    HB2  ARG  32           HB2      ARG  32   0.464  -0.561   9.420
  269    HB3  ARG  32           HB3      ARG  32   2.072  -1.094   8.928
  270    HG2  ARG  32           HG2      ARG  32   3.102   0.389  10.601
  271    HG3  ARG  32           HG3      ARG  32   1.513   1.005  11.057
  272    HD2  ARG  32           HD2      ARG  32   2.132  -0.668  12.678
  273    HD3  ARG  32           HD3      ARG  32   0.862  -1.357  11.669
  274    HE   ARG  32           HE       ARG  32   3.323  -2.049  10.516
  275   HH11  ARG  32          HH11      ARG  32   1.537  -2.633  13.441
  276   HH12  ARG  32          HH12      ARG  32   2.240  -4.192  13.708
  277   HH21  ARG  32          HH21      ARG  32   4.230  -4.083  10.881
  278   HH22  ARG  32          HH22      ARG  32   3.757  -5.008  12.265
  279    H    SER  33           H        SER  33   3.365  -0.382   7.070
  280    HA   SER  33           HA       SER  33   5.716   0.878   8.039
  281    HB2  SER  33           HB2      SER  33   6.888  -0.349   6.293
  282    HB3  SER  33           HB3      SER  33   5.682  -1.397   7.031
  283    HG   SER  33           HG       SER  33   4.298  -0.867   5.270
  284    H    LEU  34           H        LEU  34   3.455   1.702   5.547
  285    HA   LEU  34           HA       LEU  34   5.052   3.333   3.886
  286    HB2  LEU  34           HB2      LEU  34   2.512   2.497   3.751
  287    HB3  LEU  34           HB3      LEU  34   2.207   4.082   4.437
  288    HG   LEU  34           HG       LEU  34   4.087   4.014   2.132
  289   HD11  LEU  34          HD11      LEU  34   2.245   2.345   1.570
  290   HD12  LEU  34          HD12      LEU  34   2.372   3.720   0.468
  291   HD13  LEU  34          HD13      LEU  34   1.103   3.686   1.693
  292   HD21  LEU  34          HD21      LEU  34   3.502   6.166   3.045
  293   HD22  LEU  34          HD22      LEU  34   1.783   5.766   3.054
  294   HD23  LEU  34          HD23      LEU  34   2.622   6.021   1.526
  295    H    TYR  35           H        TYR  35   3.094   4.069   6.757
  296    HA   TYR  35           HA       TYR  35   3.676   6.847   6.874
  297    HB2  TYR  35           HB2      TYR  35   1.800   5.727   8.096
  298    HB3  TYR  35           HB3      TYR  35   2.984   4.973   9.162
  299    HD1  TYR  35           HD1      TYR  35   1.517   8.212   8.083
  300    HD2  TYR  35           HD2      TYR  35   4.101   6.241  10.901
  301    HE1  TYR  35           HE1      TYR  35   1.561  10.260   9.480
  302    HE2  TYR  35           HE2      TYR  35   4.142   8.292  12.292
  303    HH   TYR  35           HH       TYR  35   2.142  10.503  12.366
  304    H    ASP  36           H        ASP  36   5.119   3.981   8.384
  305    HA   ASP  36           HA       ASP  36   7.066   5.286   9.955
  306    HB2  ASP  36           HB2      ASP  36   6.400   2.880  10.155
  307    HB3  ASP  36           HB3      ASP  36   7.293   2.552   8.672
  308    H    ASP  37           H        ASP  37   7.128   4.195   6.584
  309    HA   ASP  37           HA       ASP  37   9.611   5.741   6.140
  310    HB2  ASP  37           HB2      ASP  37   9.060   2.930   5.136
  311    HB3  ASP  37           HB3      ASP  37  10.427   3.918   4.648
  312    HA   PRO  38           HA       PRO  38   6.238   6.864   3.094
  313    HB2  PRO  38           HB2      PRO  38   7.022   9.497   2.816
  314    HB3  PRO  38           HB3      PRO  38   5.865   8.921   4.029
  315    HG2  PRO  38           HG2      PRO  38   8.765   9.531   4.323
  316    HG3  PRO  38           HG3      PRO  38   7.418   9.882   5.422
  317    HD2  PRO  38           HD2      PRO  38   9.110   7.815   5.857
  318    HD3  PRO  38           HD3      PRO  38   7.390   7.727   6.297
  319    H    SER  39           H        SER  39   9.675   7.030   3.087
  320    HA   SER  39           HA       SER  39  10.153   7.950   0.455
  321    HB2  SER  39           HB2      SER  39  12.395   7.046   0.749
  322    HB3  SER  39           HB3      SER  39  11.878   7.856   2.224
  323    HG   SER  39           HG       SER  39  11.892   6.000   3.235
  324    H    GLN  40           H        GLN  40   9.185   4.786   1.666
  325    HA   GLN  40           HA       GLN  40   9.781   3.547  -0.952
  326    HB2  GLN  40           HB2      GLN  40   8.796   2.140   1.535
  327    HB3  GLN  40           HB3      GLN  40   9.569   1.428   0.123
  328    HG2  GLN  40           HG2      GLN  40  10.880   3.302   2.116
  329    HG3  GLN  40           HG3      GLN  40  11.155   1.571   1.997
  330   HE21  GLN  40          HE21      GLN  40  12.569   4.450   1.167
  331   HE22  GLN  40          HE22      GLN  40  13.434   3.952  -0.208
  332    H    SER  41           H        SER  41   7.232   5.219   0.264
  333    HA   SER  41           HA       SER  41   4.950   3.717   0.149
  334    HB2  SER  41           HB2      SER  41   5.206   6.435  -1.152
  335    HB3  SER  41           HB3      SER  41   3.739   5.697  -0.513
  336    HG   SER  41           HG       SER  41   5.870   6.896   0.794
  337    H    ALA  42           H        ALA  42   6.796   4.863  -2.654
  338    HA   ALA  42           HA       ALA  42   4.930   4.006  -4.634
  339    HB1  ALA  42           HB1      ALA  42   6.699   5.643  -5.123
  340    HB2  ALA  42           HB2      ALA  42   6.822   4.252  -6.200
  341    HB3  ALA  42           HB3      ALA  42   7.930   4.413  -4.836
  342    H    ASN  43           H        ASN  43   7.844   2.519  -3.225
  343    HA   ASN  43           HA       ASN  43   7.785   0.136  -4.767
  344    HB2  ASN  43           HB2      ASN  43   8.982   0.662  -2.033
  345    HB3  ASN  43           HB3      ASN  43   9.289  -0.771  -3.006
  346   HD21  ASN  43          HD21      ASN  43  11.457   0.808  -2.288
  347   HD22  ASN  43          HD22      ASN  43  12.046   1.645  -3.647
  348    H    LEU  44           H        LEU  44   6.560   0.890  -1.501
  349    HA   LEU  44           HA       LEU  44   5.649  -1.664  -0.794
  350    HB2  LEU  44           HB2      LEU  44   4.441   0.993  -0.080
  351    HB3  LEU  44           HB3      LEU  44   4.147  -0.501   0.769
  352    HG   LEU  44           HG       LEU  44   6.831   0.919   0.541
  353   HD11  LEU  44          HD11      LEU  44   4.957   0.517   2.885
  354   HD12  LEU  44          HD12      LEU  44   5.292   2.042   2.067
  355   HD13  LEU  44          HD13      LEU  44   6.565   1.235   2.982
  356   HD21  LEU  44          HD21      LEU  44   6.070  -1.638   1.984
  357   HD22  LEU  44          HD22      LEU  44   7.597  -0.784   2.193
  358   HD23  LEU  44          HD23      LEU  44   7.193  -1.492   0.633
  359    H    LEU  45           H        LEU  45   4.010   0.924  -2.605
  360    HA   LEU  45           HA       LEU  45   1.460  -0.291  -2.816
  361    HB2  LEU  45           HB2      LEU  45   1.639   2.015  -3.377
  362    HB3  LEU  45           HB3      LEU  45   2.948   1.716  -4.506
  363    HG   LEU  45           HG       LEU  45   1.377   0.515  -6.014
  364   HD11  LEU  45          HD11      LEU  45  -0.729   1.331  -3.984
  365   HD12  LEU  45          HD12      LEU  45  -0.204  -0.319  -4.314
  366   HD13  LEU  45          HD13      LEU  45  -1.051   0.597  -5.556
  367   HD21  LEU  45          HD21      LEU  45   0.077   2.474  -6.737
  368   HD22  LEU  45          HD22      LEU  45   1.712   2.955  -6.282
  369   HD23  LEU  45          HD23      LEU  45   0.367   3.256  -5.182
  370    H    ALA  46           H        ALA  46   4.266  -0.314  -4.976
  371    HA   ALA  46           HA       ALA  46   3.216  -2.053  -6.959
  372    HB1  ALA  46           HB1      ALA  46   6.108  -1.709  -6.110
  373    HB2  ALA  46           HB2      ALA  46   5.262  -0.671  -7.258
  374    HB3  ALA  46           HB3      ALA  46   5.542  -2.368  -7.646
  375    H    GLU  47           H        GLU  47   5.089  -2.627  -4.027
  376    HA   GLU  47           HA       GLU  47   5.450  -5.413  -4.256
  377    HB2  GLU  47           HB2      GLU  47   5.378  -3.496  -1.915
  378    HB3  GLU  47           HB3      GLU  47   5.613  -5.236  -1.685
  379    HG2  GLU  47           HG2      GLU  47   7.333  -3.553  -3.532
  380    HG3  GLU  47           HG3      GLU  47   7.761  -3.899  -1.860
  381    H    ALA  48           H        ALA  48   2.821  -3.480  -2.861
  382    HA   ALA  48           HA       ALA  48   1.376  -5.610  -1.679
  383    HB1  ALA  48           HB1      ALA  48   0.922  -3.243  -1.162
  384    HB2  ALA  48           HB2      ALA  48  -0.539  -4.059  -1.719
  385    HB3  ALA  48           HB3      ALA  48   0.345  -2.991  -2.810
  386    H    LYS  49           H        LYS  49   1.339  -4.174  -4.901
  387    HA   LYS  49           HA       LYS  49  -0.850  -5.664  -5.930
  388    HB2  LYS  49           HB2      LYS  49   0.539  -3.565  -6.873
  389    HB3  LYS  49           HB3      LYS  49   1.363  -4.848  -7.760
  390    HG2  LYS  49           HG2      LYS  49  -0.999  -5.686  -8.395
  391    HG3  LYS  49           HG3      LYS  49  -1.574  -4.128  -7.812
  392    HD2  LYS  49           HD2      LYS  49   0.424  -3.253  -9.399
  393    HD3  LYS  49           HD3      LYS  49   0.053  -4.764 -10.231
  394    HE2  LYS  49           HE2      LYS  49  -2.377  -4.057 -10.251
  395    HE3  LYS  49           HE3      LYS  49  -1.861  -2.487  -9.625
  396    HZ1  LYS  49           HZ1      LYS  49  -0.379  -2.300 -11.570
  397    HZ2  LYS  49           HZ2      LYS  49  -2.018  -2.376 -11.999
  398    HZ3  LYS  49           HZ3      LYS  49  -1.029  -3.744 -12.187
  399    H    LYS  50           H        LYS  50   2.616  -6.250  -5.677
  400    HA   LYS  50           HA       LYS  50   2.872  -8.478  -7.361
  401    HB2  LYS  50           HB2      LYS  50   4.724  -7.146  -6.274
  402    HB3  LYS  50           HB3      LYS  50   4.376  -8.004  -4.777
  403    HG2  LYS  50           HG2      LYS  50   4.899 -10.145  -5.807
  404    HG3  LYS  50           HG3      LYS  50   5.071  -9.385  -7.390
  405    HD2  LYS  50           HD2      LYS  50   7.300  -9.617  -6.622
  406    HD3  LYS  50           HD3      LYS  50   6.904  -7.931  -6.300
  407    HE2  LYS  50           HE2      LYS  50   6.229  -8.683  -3.944
  408    HE3  LYS  50           HE3      LYS  50   6.994 -10.226  -4.324
  409    HZ1  LYS  50           HZ1      LYS  50   9.069  -9.206  -4.580
  410    HZ2  LYS  50           HZ2      LYS  50   8.415  -8.484  -3.190
  411    HZ3  LYS  50           HZ3      LYS  50   8.402  -7.642  -4.666
  412    H    LEU  51           H        LEU  51   2.157  -8.299  -3.865
  413    HA   LEU  51           HA       LEU  51   1.940 -11.099  -3.453
  414    HB2  LEU  51           HB2      LEU  51   1.100  -8.656  -1.945
  415    HB3  LEU  51           HB3      LEU  51   0.400 -10.198  -1.455
  416    HG   LEU  51           HG       LEU  51   3.391  -9.826  -1.837
  417   HD11  LEU  51          HD11      LEU  51   1.660  -9.227   0.554
  418   HD12  LEU  51          HD12      LEU  51   2.990  -8.289  -0.120
  419   HD13  LEU  51          HD13      LEU  51   3.325  -9.771   0.770
  420   HD21  LEU  51          HD21      LEU  51   2.802 -12.139  -1.798
  421   HD22  LEU  51          HD22      LEU  51   1.620 -11.900  -0.511
  422   HD23  LEU  51          HD23      LEU  51   3.345 -11.785  -0.161
  423    H    ASN  52           H        ASN  52  -0.388  -8.624  -4.410
  424    HA   ASN  52           HA       ASN  52  -2.728 -10.217  -4.255
  425    HB2  ASN  52           HB2      ASN  52  -3.260  -7.993  -4.474
  426    HB3  ASN  52           HB3      ASN  52  -1.934  -7.662  -5.578
  427   HD21  ASN  52          HD21      ASN  52  -5.295  -8.736  -5.385
  428   HD22  ASN  52          HD22      ASN  52  -5.587  -8.694  -7.060
  429    H    ASP  53           H        ASP  53  -0.513  -9.497  -6.953
  430    HA   ASP  53           HA       ASP  53  -1.817 -11.057  -8.912
  431    HB2  ASP  53           HB2      ASP  53  -0.078  -9.337  -9.361
  432    HB3  ASP  53           HB3      ASP  53   1.139 -10.419  -8.716
  433    H    ALA  54           H        ALA  54   0.682 -11.861  -6.537
  434    HA   ALA  54           HA       ALA  54   1.190 -14.462  -7.581
  435    HB1  ALA  54           HB1      ALA  54   2.838 -13.226  -6.230
  436    HB2  ALA  54           HB2      ALA  54   2.486 -14.806  -5.528
  437    HB3  ALA  54           HB3      ALA  54   1.778 -13.351  -4.827
  438    H    GLN  55           H        GLN  55  -0.609 -13.350  -4.691
  439    HA   GLN  55           HA       GLN  55  -1.484 -15.933  -3.899
  440    HB2  GLN  55           HB2      GLN  55  -2.579 -13.182  -3.223
  441    HB3  GLN  55           HB3      GLN  55  -3.114 -14.684  -2.469
  442    HG2  GLN  55           HG2      GLN  55  -0.981 -15.085  -1.499
  443    HG3  GLN  55           HG3      GLN  55  -0.197 -13.883  -2.525
  444   HE21  GLN  55          HE21      GLN  55  -1.593 -11.619  -2.284
  445   HE22  GLN  55          HE22      GLN  55  -1.775 -11.135  -0.672
  446    H    ALA  56           H        ALA  56  -2.727 -13.666  -6.243
  447    HA   ALA  56           HA       ALA  56  -5.408 -14.370  -6.403
  448    HB1  ALA  56           HB1      ALA  56  -4.657 -12.534  -7.708
  449    HB2  ALA  56           HB2      ALA  56  -5.166 -13.758  -8.871
  450    HB3  ALA  56           HB3      ALA  56  -3.450 -13.519  -8.536
  451    HA   PRO  57           HA       PRO  57  -5.379 -18.567  -7.887
  452    HB2  PRO  57           HB2      PRO  57  -7.898 -18.737  -8.917
  453    HB3  PRO  57           HB3      PRO  57  -7.575 -18.659  -7.173
  454    HG2  PRO  57           HG2      PRO  57  -8.466 -16.506  -9.029
  455    HG3  PRO  57           HG3      PRO  57  -8.971 -16.845  -7.365
  456    HD2  PRO  57           HD2      PRO  57  -7.162 -14.883  -8.034
  457    HD3  PRO  57           HD3      PRO  57  -7.200 -15.690  -6.451
  458    H    LYS  58           H        LYS  58  -5.253 -19.826  -9.787
  459    HA   LYS  58           HA       LYS  58  -4.882 -18.290 -12.288
  460    HB2  LYS  58           HB2      LYS  58  -3.783 -20.977 -11.405
  461    HB3  LYS  58           HB3      LYS  58  -3.532 -20.276 -13.005
  462    HG2  LYS  58           HG2      LYS  58  -2.484 -18.279 -11.936
  463    HG3  LYS  58           HG3      LYS  58  -2.667 -19.055 -10.361
  464    HD2  LYS  58           HD2      LYS  58  -1.274 -20.960 -11.170
  465    HD3  LYS  58           HD3      LYS  58  -1.039 -20.113 -12.699
  466    HE2  LYS  58           HE2      LYS  58   0.212 -18.374 -11.671
  467    HE3  LYS  58           HE3      LYS  58  -0.331 -18.824 -10.054
  468    HZ1  LYS  58           HZ1      LYS  58   1.967 -19.542 -10.595
  469    HZ2  LYS  58           HZ2      LYS  58   1.333 -20.566 -11.789
  470    HZ3  LYS  58           HZ3      LYS  58   0.937 -20.821 -10.157
  Start of MODEL   14
    1    H    VAL   1           H        VAL   1   6.985  19.661  -3.707
    2    HA   VAL   1           HA       VAL   1   5.266  19.519  -2.051
    3    HB   VAL   1           HB       VAL   1   8.047  19.121  -0.870
    4   HG11  VAL   1          HG11      VAL   1   5.395  17.793  -0.196
    5   HG12  VAL   1          HG12      VAL   1   6.244  18.958   0.822
    6   HG13  VAL   1          HG13      VAL   1   6.959  17.378   0.507
    7   HG21  VAL   1          HG21      VAL   1   6.294  17.333  -2.592
    8   HG22  VAL   1          HG22      VAL   1   7.711  16.758  -1.711
    9   HG23  VAL   1          HG23      VAL   1   7.895  17.956  -2.992
   10    H    ASP   2           H        ASP   2   4.185  21.347  -1.370
   11    HA   ASP   2           HA       ASP   2   5.372  23.507   0.033
   12    HB2  ASP   2           HB2      ASP   2   2.895  23.940   0.726
   13    HB3  ASP   2           HB3      ASP   2   3.338  24.068  -0.972
   14    H    ASN   3           H        ASN   3   2.890  21.342   1.428
   15    HA   ASN   3           HA       ASN   3   4.136  21.622   4.064
   16    HB2  ASN   3           HB2      ASN   3   1.535  20.351   3.159
   17    HB3  ASN   3           HB3      ASN   3   2.087  20.385   4.832
   18   HD21  ASN   3          HD21      ASN   3   0.863  22.402   2.182
   19   HD22  ASN   3          HD22      ASN   3   0.576  23.777   3.141
   20    H    LYS   4           H        LYS   4   2.848  18.902   2.124
   21    HA   LYS   4           HA       LYS   4   5.185  17.309   2.299
   22    HB2  LYS   4           HB2      LYS   4   4.340  17.229   4.714
   23    HB3  LYS   4           HB3      LYS   4   2.966  16.316   4.098
   24    HG2  LYS   4           HG2      LYS   4   4.442  14.581   3.228
   25    HG3  LYS   4           HG3      LYS   4   5.866  15.529   3.658
   26    HD2  LYS   4           HD2      LYS   4   5.058  15.421   6.076
   27    HD3  LYS   4           HD3      LYS   4   3.873  14.231   5.540
   28    HE2  LYS   4           HE2      LYS   4   5.647  12.757   4.743
   29    HE3  LYS   4           HE3      LYS   4   6.868  13.969   5.134
   30    HZ1  LYS   4           HZ1      LYS   4   6.306  13.793   7.449
   31    HZ2  LYS   4           HZ2      LYS   4   6.651  12.243   6.850
   32    HZ3  LYS   4           HZ3      LYS   4   5.039  12.714   7.110
   33    H    PHE   5           H        PHE   5   4.951  15.294   1.176
   34    HA   PHE   5           HA       PHE   5   2.848  15.345  -0.798
   35    HB2  PHE   5           HB2      PHE   5   4.066  13.309  -1.722
   36    HB3  PHE   5           HB3      PHE   5   4.972  14.814  -1.679
   37    HD1  PHE   5           HD1      PHE   5   6.672  15.203   0.137
   38    HD2  PHE   5           HD2      PHE   5   4.767  11.389  -0.428
   39    HE1  PHE   5           HE1      PHE   5   8.445  14.117   1.483
   40    HE2  PHE   5           HE2      PHE   5   6.541  10.308   0.922
   41    HZ   PHE   5           HZ       PHE   5   8.379  11.671   1.878
   42    H    ASN   6           H        ASN   6   1.370  15.066   1.236
   43    HA   ASN   6           HA       ASN   6   0.911  12.403   2.198
   44    HB2  ASN   6           HB2      ASN   6  -0.869  14.859   2.206
   45    HB3  ASN   6           HB3      ASN   6  -1.217  13.365   3.069
   46   HD21  ASN   6          HD21      ASN   6   2.122  13.711   3.208
   47   HD22  ASN   6          HD22      ASN   6   2.236  14.544   4.682
   48    H    LYS   7           H        LYS   7  -0.233  14.259  -0.550
   49    HA   LYS   7           HA       LYS   7  -2.565  12.887  -1.223
   50    HB2  LYS   7           HB2      LYS   7  -1.720  14.989  -2.295
   51    HB3  LYS   7           HB3      LYS   7  -0.528  14.025  -3.160
   52    HG2  LYS   7           HG2      LYS   7  -2.326  14.268  -4.692
   53    HG3  LYS   7           HG3      LYS   7  -2.525  12.643  -4.042
   54    HD2  LYS   7           HD2      LYS   7  -4.242  13.419  -2.488
   55    HD3  LYS   7           HD3      LYS   7  -3.975  15.092  -2.976
   56    HE2  LYS   7           HE2      LYS   7  -4.904  12.897  -4.855
   57    HE3  LYS   7           HE3      LYS   7  -5.979  14.052  -4.068
   58    HZ1  LYS   7           HZ1      LYS   7  -5.564  15.420  -5.745
   59    HZ2  LYS   7           HZ2      LYS   7  -4.363  14.401  -6.375
   60    HZ3  LYS   7           HZ3      LYS   7  -3.962  15.554  -5.195
   61    H    GLU   8           H        GLU   8   0.805  12.142  -2.112
   62    HA   GLU   8           HA       GLU   8   0.275   9.957  -3.819
   63    HB2  GLU   8           HB2      GLU   8   2.676  10.527  -2.052
   64    HB3  GLU   8           HB3      GLU   8   2.631   9.284  -3.303
   65    HG2  GLU   8           HG2      GLU   8   2.126  11.038  -5.000
   66    HG3  GLU   8           HG3      GLU   8   2.238  12.267  -3.747
   67    H    MET   9           H        MET   9   0.739  10.172  -0.320
   68    HA   MET   9           HA       MET   9   0.743   7.391   0.239
   69    HB2  MET   9           HB2      MET   9  -0.073   9.737   1.983
   70    HB3  MET   9           HB3      MET   9   0.218   8.097   2.561
   71    HG2  MET   9           HG2      MET   9   2.530   8.189   1.811
   72    HG3  MET   9           HG3      MET   9   2.266   9.771   1.079
   73    HE1  MET   9           HE1      MET   9   4.576  10.735   3.888
   74    HE2  MET   9           HE2      MET   9   3.951  11.309   2.331
   75    HE3  MET   9           HE3      MET   9   4.541   9.649   2.498
   76    H    ARG  10           H        ARG  10  -1.825   9.805  -0.028
   77    HA   ARG  10           HA       ARG  10  -3.977   8.266   0.936
   78    HB2  ARG  10           HB2      ARG  10  -4.033  10.732   0.479
   79    HB3  ARG  10           HB3      ARG  10  -4.085  10.371  -1.244
   80    HG2  ARG  10           HG2      ARG  10  -6.180   9.086  -0.911
   81    HG3  ARG  10           HG3      ARG  10  -6.132   9.466   0.810
   82    HD2  ARG  10           HD2      ARG  10  -6.191  11.900   0.227
   83    HD3  ARG  10           HD3      ARG  10  -6.379  11.459  -1.466
   84    HE   ARG  10           HE       ARG  10  -8.418  11.369   0.577
   85   HH11  ARG  10          HH11      ARG  10  -7.343   9.998  -2.432
   86   HH12  ARG  10          HH12      ARG  10  -8.929   9.497  -2.914
   87   HH21  ARG  10          HH21      ARG  10 -10.473  10.709  -0.067
   88   HH22  ARG  10          HH22      ARG  10 -10.692   9.898  -1.580
   89    H    ASN  11           H        ASN  11  -2.527   8.525  -2.293
   90    HA   ASN  11           HA       ASN  11  -4.451   6.957  -3.672
   91    HB2  ASN  11           HB2      ASN  11  -1.517   7.411  -4.291
   92    HB3  ASN  11           HB3      ASN  11  -2.683   6.697  -5.399
   93   HD21  ASN  11          HD21      ASN  11  -4.889   8.290  -5.297
   94   HD22  ASN  11          HD22      ASN  11  -4.507   9.907  -5.642
   95    H    ALA  12           H        ALA  12  -1.206   6.034  -2.423
   96    HA   ALA  12           HA       ALA  12  -1.492   3.277  -3.019
   97    HB1  ALA  12           HB1      ALA  12   0.242   4.302  -0.768
   98    HB2  ALA  12           HB2      ALA  12   0.666   4.589  -2.456
   99    HB3  ALA  12           HB3      ALA  12   0.530   2.937  -1.853
  100    H    TYR  13           H        TYR  13  -2.412   5.193  -0.213
  101    HA   TYR  13           HA       TYR  13  -2.893   3.178   1.677
  102    HB2  TYR  13           HB2      TYR  13  -2.891   5.525   2.281
  103    HB3  TYR  13           HB3      TYR  13  -4.251   5.852   1.218
  104    HD1  TYR  13           HD1      TYR  13  -6.530   4.948   1.782
  105    HD2  TYR  13           HD2      TYR  13  -3.213   4.623   4.498
  106    HE1  TYR  13           HE1      TYR  13  -8.097   4.485   3.642
  107    HE2  TYR  13           HE2      TYR  13  -4.791   4.161   6.357
  108    HH   TYR  13           HH       TYR  13  -7.737   4.876   6.488
  109    H    TRP  14           H        TRP  14  -5.272   4.749  -0.465
  110    HA   TRP  14           HA       TRP  14  -7.400   2.980   0.170
  111    HB2  TRP  14           HB2      TRP  14  -7.652   5.307  -0.667
  112    HB3  TRP  14           HB3      TRP  14  -7.073   4.768  -2.235
  113    HD1  TRP  14           HD1      TRP  14  -8.759   3.535  -3.801
  114    HE1  TRP  14           HE1      TRP  14 -11.269   2.971  -3.633
  115    HE3  TRP  14           HE3      TRP  14  -9.589   4.639   1.118
  116    HZ2  TRP  14           HZ2      TRP  14 -13.352   2.986  -1.677
  117    HZ3  TRP  14           HZ3      TRP  14 -11.845   4.357   2.106
  118    HH2  TRP  14           HH2      TRP  14 -13.726   3.531   0.716
  119    H    GLU  15           H        GLU  15  -5.196   3.126  -2.658
  120    HA   GLU  15           HA       GLU  15  -6.428   1.106  -4.168
  121    HB2  GLU  15           HB2      GLU  15  -3.551   2.039  -4.067
  122    HB3  GLU  15           HB3      GLU  15  -4.132   0.853  -5.233
  123    HG2  GLU  15           HG2      GLU  15  -5.217   3.674  -4.901
  124    HG3  GLU  15           HG3      GLU  15  -4.153   3.134  -6.195
  125    H    ILE  16           H        ILE  16  -3.773   0.819  -1.781
  126    HA   ILE  16           HA       ILE  16  -3.472  -1.992  -2.107
  127    HB   ILE  16           HB       ILE  16  -2.760  -0.196   0.233
  128   HG12  ILE  16          HG12      ILE  16  -0.993  -1.419  -1.919
  129   HG13  ILE  16          HG13      ILE  16  -1.642   0.212  -2.023
  130   HG21  ILE  16          HG21      ILE  16  -1.145  -2.168   0.708
  131   HG22  ILE  16          HG22      ILE  16  -2.209  -3.122  -0.321
  132   HG23  ILE  16          HG23      ILE  16  -2.835  -2.387   1.154
  133   HD11  ILE  16          HD11      ILE  16  -0.576   0.498   0.366
  134   HD12  ILE  16          HD12      ILE  16   0.452   0.593  -1.062
  135   HD13  ILE  16          HD13      ILE  16   0.400  -0.891  -0.114
  136    H    ALA  17           H        ALA  17  -5.397  -0.014   0.140
  137    HA   ALA  17           HA       ALA  17  -6.394  -2.085   1.758
  138    HB1  ALA  17           HB1      ALA  17  -8.271  -0.499   2.238
  139    HB2  ALA  17           HB2      ALA  17  -7.645   0.557   0.971
  140    HB3  ALA  17           HB3      ALA  17  -6.673   0.229   2.405
  141    H    LEU  18           H        LEU  18  -7.390  -0.951  -1.414
  142    HA   LEU  18           HA       LEU  18  -9.918  -2.197  -1.551
  143    HB2  LEU  18           HB2      LEU  18  -9.092  -0.428  -3.111
  144    HB3  LEU  18           HB3      LEU  18  -8.018  -1.619  -3.838
  145    HG   LEU  18           HG       LEU  18 -10.050  -3.034  -4.357
  146   HD11  LEU  18          HD11      LEU  18 -11.704  -2.281  -2.831
  147   HD12  LEU  18          HD12      LEU  18 -12.233  -1.644  -4.385
  148   HD13  LEU  18          HD13      LEU  18 -11.424  -0.586  -3.229
  149   HD21  LEU  18          HD21      LEU  18  -9.036  -1.586  -6.070
  150   HD22  LEU  18          HD22      LEU  18 -10.005  -0.222  -5.510
  151   HD23  LEU  18          HD23      LEU  18 -10.789  -1.616  -6.253
  152    H    LEU  19           H        LEU  19  -6.657  -3.435  -2.171
  153    HA   LEU  19           HA       LEU  19  -7.350  -5.775  -3.584
  154    HB2  LEU  19           HB2      LEU  19  -4.996  -4.721  -2.174
  155    HB3  LEU  19           HB3      LEU  19  -5.083  -6.473  -2.177
  156    HG   LEU  19           HG       LEU  19  -5.104  -6.568  -4.572
  157   HD11  LEU  19          HD11      LEU  19  -4.977  -4.279  -5.845
  158   HD12  LEU  19          HD12      LEU  19  -5.740  -3.626  -4.395
  159   HD13  LEU  19          HD13      LEU  19  -6.551  -4.883  -5.331
  160   HD21  LEU  19          HD21      LEU  19  -2.894  -6.074  -3.527
  161   HD22  LEU  19          HD22      LEU  19  -3.182  -4.354  -3.778
  162   HD23  LEU  19          HD23      LEU  19  -3.015  -5.431  -5.164
  163    HA   PRO  20           HA       PRO  20  -9.131  -7.993  -0.056
  164    HB2  PRO  20           HB2      PRO  20 -10.580  -9.768  -1.437
  165    HB3  PRO  20           HB3      PRO  20 -11.000  -8.043  -1.435
  166    HG2  PRO  20           HG2      PRO  20  -9.650  -9.654  -3.538
  167    HG3  PRO  20           HG3      PRO  20 -10.820  -8.336  -3.700
  168    HD2  PRO  20           HD2      PRO  20  -8.017  -8.094  -3.939
  169    HD3  PRO  20           HD3      PRO  20  -9.175  -6.758  -3.759
  170    H    ASN  21           H        ASN  21  -7.678  -9.811  -2.784
  171    HA   ASN  21           HA       ASN  21  -7.423 -12.274  -1.506
  172    HB2  ASN  21           HB2      ASN  21  -5.401 -12.513  -3.230
  173    HB3  ASN  21           HB3      ASN  21  -7.081 -12.569  -3.735
  174   HD21  ASN  21          HD21      ASN  21  -6.422 -11.814  -5.890
  175   HD22  ASN  21          HD22      ASN  21  -6.024 -10.181  -6.145
  176    H    LEU  22           H        LEU  22  -5.196  -9.506  -1.440
  177    HA   LEU  22           HA       LEU  22  -3.023 -10.884  -0.254
  178    HB2  LEU  22           HB2      LEU  22  -3.799  -7.975  -0.271
  179    HB3  LEU  22           HB3      LEU  22  -2.390  -8.557   0.616
  180    HG   LEU  22           HG       LEU  22  -1.634  -9.681  -1.535
  181   HD11  LEU  22          HD11      LEU  22  -2.663  -8.259  -3.539
  182   HD12  LEU  22          HD12      LEU  22  -4.061  -8.227  -2.476
  183   HD13  LEU  22          HD13      LEU  22  -3.394  -9.768  -3.006
  184   HD21  LEU  22          HD21      LEU  22  -0.822  -7.517  -2.512
  185   HD22  LEU  22          HD22      LEU  22  -0.544  -7.664  -0.781
  186   HD23  LEU  22          HD23      LEU  22  -1.867  -6.661  -1.380
  187    H    ASN  23           H        ASN  23  -2.655 -11.589   1.723
  188    HA   ASN  23           HA       ASN  23  -4.606 -11.934   3.659
  189    HB2  ASN  23           HB2      ASN  23  -2.412 -13.129   3.558
  190    HB3  ASN  23           HB3      ASN  23  -1.639 -11.681   4.198
  191   HD21  ASN  23          HD21      ASN  23  -1.027 -12.611   6.237
  192   HD22  ASN  23          HD22      ASN  23  -2.170 -13.087   7.398
  193    H    ASN  24           H        ASN  24  -5.155 -10.936   5.598
  194    HA   ASN  24           HA       ASN  24  -5.364  -8.164   5.671
  195    HB2  ASN  24           HB2      ASN  24  -5.410 -10.117   7.989
  196    HB3  ASN  24           HB3      ASN  24  -5.978  -8.450   8.063
  197   HD21  ASN  24          HD21      ASN  24  -7.521  -8.050   5.888
  198   HD22  ASN  24          HD22      ASN  24  -8.756  -9.210   5.758
  199    H    GLN  25           H        GLN  25  -2.866 -10.235   7.094
  200    HA   GLN  25           HA       GLN  25  -1.550  -8.263   8.639
  201    HB2  GLN  25           HB2      GLN  25  -0.502 -10.790   7.334
  202    HB3  GLN  25           HB3      GLN  25   0.424  -9.812   8.473
  203    HG2  GLN  25           HG2      GLN  25  -1.256 -10.164  10.208
  204    HG3  GLN  25           HG3      GLN  25  -2.281 -11.049   9.081
  205   HE21  GLN  25          HE21      GLN  25  -0.589 -11.793  11.660
  206   HE22  GLN  25          HE22      GLN  25   0.171 -13.235  11.185
  207    H    GLN  26           H        GLN  26  -1.104  -9.342   5.284
  208    HA   GLN  26           HA       GLN  26   1.146  -7.708   4.699
  209    HB2  GLN  26           HB2      GLN  26  -0.964  -8.901   2.875
  210    HB3  GLN  26           HB3      GLN  26   0.532  -8.149   2.319
  211    HG2  GLN  26           HG2      GLN  26   1.859  -9.801   3.556
  212    HG3  GLN  26           HG3      GLN  26   0.391 -10.531   4.200
  213   HE21  GLN  26          HE21      GLN  26  -1.245 -11.152   2.289
  214   HE22  GLN  26          HE22      GLN  26  -0.524 -11.943   0.970
  215    H    LYS  27           H        LYS  27  -2.352  -7.256   4.268
  216    HA   LYS  27           HA       LYS  27  -2.254  -4.758   2.944
  217    HB2  LYS  27           HB2      LYS  27  -4.261  -6.213   3.049
  218    HB3  LYS  27           HB3      LYS  27  -4.422  -5.850   4.766
  219    HG2  LYS  27           HG2      LYS  27  -4.570  -3.396   4.142
  220    HG3  LYS  27           HG3      LYS  27  -4.637  -3.892   2.453
  221    HD2  LYS  27           HD2      LYS  27  -6.565  -5.060   4.466
  222    HD3  LYS  27           HD3      LYS  27  -6.880  -3.487   3.740
  223    HE2  LYS  27           HE2      LYS  27  -7.968  -4.858   2.220
  224    HE3  LYS  27           HE3      LYS  27  -6.372  -4.792   1.478
  225    HZ1  LYS  27           HZ1      LYS  27  -6.632  -7.020   1.541
  226    HZ2  LYS  27           HZ2      LYS  27  -7.697  -6.987   2.862
  227    HZ3  LYS  27           HZ3      LYS  27  -6.026  -6.831   3.119
  228    H    ARG  28           H        ARG  28  -2.733  -5.547   6.398
  229    HA   ARG  28           HA       ARG  28  -2.833  -2.883   7.338
  230    HB2  ARG  28           HB2      ARG  28  -3.559  -4.882   8.640
  231    HB3  ARG  28           HB3      ARG  28  -1.870  -5.344   8.828
  232    HG2  ARG  28           HG2      ARG  28  -1.415  -3.188   9.977
  233    HG3  ARG  28           HG3      ARG  28  -3.114  -2.749   9.805
  234    HD2  ARG  28           HD2      ARG  28  -3.725  -4.796  11.110
  235    HD3  ARG  28           HD3      ARG  28  -2.008  -5.109  11.360
  236    HE   ARG  28           HE       ARG  28  -2.562  -2.475  12.199
  237   HH11  ARG  28          HH11      ARG  28  -3.285  -5.759  13.084
  238   HH12  ARG  28          HH12      ARG  28  -3.465  -5.398  14.767
  239   HH21  ARG  28          HH21      ARG  28  -2.799  -2.025  14.396
  240   HH22  ARG  28          HH22      ARG  28  -3.191  -3.294  15.506
  241    H    ALA  29           H        ALA  29  -0.142  -5.140   6.904
  242    HA   ALA  29           HA       ALA  29   1.878  -3.602   8.123
  243    HB1  ALA  29           HB1      ALA  29   3.437  -5.008   6.770
  244    HB2  ALA  29           HB2      ALA  29   2.038  -5.676   5.927
  245    HB3  ALA  29           HB3      ALA  29   2.234  -5.944   7.660
  246    H    PHE  30           H        PHE  30   0.562  -3.520   4.825
  247    HA   PHE  30           HA       PHE  30   2.621  -1.963   3.664
  248    HB2  PHE  30           HB2      PHE  30  -0.217  -2.567   2.957
  249    HB3  PHE  30           HB3      PHE  30   0.550  -1.209   2.150
  250    HD1  PHE  30           HD1      PHE  30   3.218  -1.872   1.591
  251    HD2  PHE  30           HD2      PHE  30  -0.163  -4.530   1.652
  252    HE1  PHE  30           HE1      PHE  30   4.397  -3.407   0.052
  253    HE2  PHE  30           HE2      PHE  30   1.022  -6.066   0.108
  254    HZ   PHE  30           HZ       PHE  30   3.308  -5.500  -0.692
  255    H    ILE  31           H        ILE  31  -0.606  -0.872   4.789
  256    HA   ILE  31           HA       ILE  31  -0.015   1.873   4.532
  257    HB   ILE  31           HB       ILE  31  -2.115   0.425   6.167
  258   HG12  ILE  31          HG12      ILE  31  -2.188   2.005   3.562
  259   HG13  ILE  31          HG13      ILE  31  -2.242   0.252   3.688
  260   HG21  ILE  31          HG21      ILE  31  -1.719   2.586   7.244
  261   HG22  ILE  31          HG22      ILE  31  -3.217   2.675   6.328
  262   HG23  ILE  31          HG23      ILE  31  -1.749   3.407   5.683
  263   HD11  ILE  31          HD11      ILE  31  -4.460   1.810   3.504
  264   HD12  ILE  31          HD12      ILE  31  -4.305   1.706   5.259
  265   HD13  ILE  31          HD13      ILE  31  -4.443   0.235   4.300
  266    H    ARG  32           H        ARG  32   0.575  -0.396   7.172
  267    HA   ARG  32           HA       ARG  32   1.232   1.580   9.141
  268    HB2  ARG  32           HB2      ARG  32   0.685  -0.804   9.676
  269    HB3  ARG  32           HB3      ARG  32   2.222  -1.283   8.955
  270    HG2  ARG  32           HG2      ARG  32   3.425   0.152  10.590
  271    HG3  ARG  32           HG3      ARG  32   1.882   0.596  11.320
  272    HD2  ARG  32           HD2      ARG  32   1.464  -1.825  11.797
  273    HD3  ARG  32           HD3      ARG  32   3.074  -2.191  11.178
  274    HE   ARG  32           HE       ARG  32   3.349  -0.215  13.153
  275   HH11  ARG  32          HH11      ARG  32   2.355  -3.534  12.866
  276   HH12  ARG  32          HH12      ARG  32   2.837  -3.949  14.476
  277   HH21  ARG  32          HH21      ARG  32   3.972  -0.774  15.249
  278   HH22  ARG  32          HH22      ARG  32   3.749  -2.394  15.817
  279    H    SER  33           H        SER  33   3.146  -0.374   6.861
  280    HA   SER  33           HA       SER  33   5.679   0.668   7.588
  281    HB2  SER  33           HB2      SER  33   6.508  -0.366   5.552
  282    HB3  SER  33           HB3      SER  33   5.376  -1.456   6.342
  283    HG   SER  33           HG       SER  33   3.793  -0.279   4.864
  284    H    LEU  34           H        LEU  34   3.102   1.976   5.656
  285    HA   LEU  34           HA       LEU  34   4.530   3.731   3.956
  286    HB2  LEU  34           HB2      LEU  34   1.786   3.323   4.715
  287    HB3  LEU  34           HB3      LEU  34   2.139   5.032   4.864
  288    HG   LEU  34           HG       LEU  34   1.296   4.610   2.650
  289   HD11  LEU  34          HD11      LEU  34   2.888   5.779   1.438
  290   HD12  LEU  34          HD12      LEU  34   4.239   4.887   2.130
  291   HD13  LEU  34          HD13      LEU  34   3.417   6.123   3.083
  292   HD21  LEU  34          HD21      LEU  34   2.934   3.091   1.177
  293   HD22  LEU  34          HD22      LEU  34   1.600   2.393   2.095
  294   HD23  LEU  34          HD23      LEU  34   3.236   2.337   2.740
  295    H    TYR  35           H        TYR  35   3.188   4.195   7.210
  296    HA   TYR  35           HA       TYR  35   4.159   6.845   7.597
  297    HB2  TYR  35           HB2      TYR  35   2.306   5.808   8.919
  298    HB3  TYR  35           HB3      TYR  35   3.486   4.754   9.694
  299    HD1  TYR  35           HD1      TYR  35   2.397   8.281   9.277
  300    HD2  TYR  35           HD2      TYR  35   4.988   5.587  11.406
  301    HE1  TYR  35           HE1      TYR  35   2.920  10.071  10.911
  302    HE2  TYR  35           HE2      TYR  35   5.508   7.382  13.038
  303    HH   TYR  35           HH       TYR  35   5.216  10.399  12.604
  304    H    ASP  36           H        ASP  36   5.401   3.616   8.406
  305    HA   ASP  36           HA       ASP  36   7.667   4.439   9.884
  306    HB2  ASP  36           HB2      ASP  36   6.632   2.092   9.676
  307    HB3  ASP  36           HB3      ASP  36   7.572   1.940   8.193
  308    H    ASP  37           H        ASP  37   7.173   3.973   6.408
  309    HA   ASP  37           HA       ASP  37   9.647   5.449   5.843
  310    HB2  ASP  37           HB2      ASP  37   9.093   2.662   4.784
  311    HB3  ASP  37           HB3      ASP  37  10.343   3.733   4.155
  312    HA   PRO  38           HA       PRO  38   5.941   6.625   3.249
  313    HB2  PRO  38           HB2      PRO  38   6.695   9.300   3.125
  314    HB3  PRO  38           HB3      PRO  38   5.601   8.605   4.334
  315    HG2  PRO  38           HG2      PRO  38   8.487   9.273   4.552
  316    HG3  PRO  38           HG3      PRO  38   7.193   9.419   5.755
  317    HD2  PRO  38           HD2      PRO  38   9.013   7.409   5.827
  318    HD3  PRO  38           HD3      PRO  38   7.341   7.190   6.385
  319    H    SER  39           H        SER  39   9.365   7.243   2.945
  320    HA   SER  39           HA       SER  39   9.507   8.225   0.326
  321    HB2  SER  39           HB2      SER  39  11.505   6.456   1.759
  322    HB3  SER  39           HB3      SER  39  11.834   7.472   0.357
  323    HG   SER  39           HG       SER  39  12.405   8.594   2.207
  324    H    GLN  40           H        GLN  40   9.057   4.929   1.508
  325    HA   GLN  40           HA       GLN  40   9.548   3.773  -1.133
  326    HB2  GLN  40           HB2      GLN  40   8.673   2.461   1.452
  327    HB3  GLN  40           HB3      GLN  40   9.149   1.619  -0.020
  328    HG2  GLN  40           HG2      GLN  40  11.385   2.776   0.131
  329    HG3  GLN  40           HG3      GLN  40  10.884   3.404   1.698
  330   HE21  GLN  40          HE21      GLN  40  12.639   0.922   0.347
  331   HE22  GLN  40          HE22      GLN  40  12.466  -0.236   1.577
  332    H    SER  41           H        SER  41   6.944   5.425  -0.009
  333    HA   SER  41           HA       SER  41   4.683   3.879  -0.190
  334    HB2  SER  41           HB2      SER  41   4.623   6.302   0.245
  335    HB3  SER  41           HB3      SER  41   5.013   6.616  -1.444
  336    HG   SER  41           HG       SER  41   2.935   4.895  -1.208
  337    H    ALA  42           H        ALA  42   6.645   5.024  -2.906
  338    HA   ALA  42           HA       ALA  42   4.887   4.129  -4.966
  339    HB1  ALA  42           HB1      ALA  42   6.643   5.800  -5.382
  340    HB2  ALA  42           HB2      ALA  42   6.843   4.407  -6.444
  341    HB3  ALA  42           HB3      ALA  42   7.883   4.595  -5.033
  342    H    ASN  43           H        ASN  43   7.773   2.714  -3.426
  343    HA   ASN  43           HA       ASN  43   7.804   0.305  -4.942
  344    HB2  ASN  43           HB2      ASN  43   8.918   0.869  -2.180
  345    HB3  ASN  43           HB3      ASN  43   9.297  -0.543  -3.158
  346   HD21  ASN  43          HD21      ASN  43  11.406   1.040  -2.375
  347   HD22  ASN  43          HD22      ASN  43  12.007   1.934  -3.690
  348    H    LEU  44           H        LEU  44   6.507   1.108  -1.729
  349    HA   LEU  44           HA       LEU  44   5.629  -1.427  -0.951
  350    HB2  LEU  44           HB2      LEU  44   4.427   1.267  -0.350
  351    HB3  LEU  44           HB3      LEU  44   4.047  -0.201   0.520
  352    HG   LEU  44           HG       LEU  44   6.827   1.045   0.339
  353   HD11  LEU  44          HD11      LEU  44   6.493   1.595   2.723
  354   HD12  LEU  44          HD12      LEU  44   4.846   0.974   2.635
  355   HD13  LEU  44          HD13      LEU  44   5.300   2.405   1.710
  356   HD21  LEU  44          HD21      LEU  44   5.740  -1.395   1.762
  357   HD22  LEU  44          HD22      LEU  44   7.231  -0.597   2.265
  358   HD23  LEU  44          HD23      LEU  44   7.109  -1.298   0.654
  359    H    LEU  45           H        LEU  45   3.969   1.059  -2.877
  360    HA   LEU  45           HA       LEU  45   1.464  -0.257  -3.085
  361    HB2  LEU  45           HB2      LEU  45   1.628   2.077  -3.651
  362    HB3  LEU  45           HB3      LEU  45   2.868   1.759  -4.854
  363    HG   LEU  45           HG       LEU  45   1.217   0.495  -6.219
  364   HD11  LEU  45          HD11      LEU  45  -0.667   1.256  -3.966
  365   HD12  LEU  45          HD12      LEU  45  -0.281  -0.366  -4.541
  366   HD13  LEU  45          HD13      LEU  45  -1.224   0.724  -5.553
  367   HD21  LEU  45          HD21      LEU  45  -0.163   2.423  -6.903
  368   HD22  LEU  45          HD22      LEU  45   1.499   2.923  -6.593
  369   HD23  LEU  45          HD23      LEU  45   0.243   3.255  -5.400
  370    H    ALA  46           H        ALA  46   4.300  -0.184  -5.215
  371    HA   ALA  46           HA       ALA  46   3.345  -2.007  -7.181
  372    HB1  ALA  46           HB1      ALA  46   5.357  -0.511  -7.426
  373    HB2  ALA  46           HB2      ALA  46   5.639  -2.186  -7.903
  374    HB3  ALA  46           HB3      ALA  46   6.228  -1.600  -6.343
  375    H    GLU  47           H        GLU  47   5.027  -2.428  -4.123
  376    HA   GLU  47           HA       GLU  47   5.616  -5.186  -4.319
  377    HB2  GLU  47           HB2      GLU  47   5.292  -3.236  -2.047
  378    HB3  GLU  47           HB3      GLU  47   5.485  -4.963  -1.717
  379    HG2  GLU  47           HG2      GLU  47   7.388  -3.389  -3.479
  380    HG3  GLU  47           HG3      GLU  47   7.648  -3.603  -1.752
  381    H    ALA  48           H        ALA  48   2.732  -3.384  -3.420
  382    HA   ALA  48           HA       ALA  48   1.247  -5.577  -2.344
  383    HB1  ALA  48           HB1      ALA  48   0.762  -2.987  -2.266
  384    HB2  ALA  48           HB2      ALA  48  -0.582  -4.128  -2.318
  385    HB3  ALA  48           HB3      ALA  48  -0.077  -3.294  -3.787
  386    H    LYS  49           H        LYS  49   1.636  -4.136  -5.550
  387    HA   LYS  49           HA       LYS  49  -0.209  -5.758  -6.955
  388    HB2  LYS  49           HB2      LYS  49   2.094  -4.009  -7.672
  389    HB3  LYS  49           HB3      LYS  49   1.625  -5.206  -8.871
  390    HG2  LYS  49           HG2      LYS  49  -0.449  -3.451  -7.554
  391    HG3  LYS  49           HG3      LYS  49   0.482  -2.862  -8.929
  392    HD2  LYS  49           HD2      LYS  49  -0.475  -4.350 -10.409
  393    HD3  LYS  49           HD3      LYS  49  -0.761  -5.572  -9.170
  394    HE2  LYS  49           HE2      LYS  49  -2.707  -4.486  -8.382
  395    HE3  LYS  49           HE3      LYS  49  -2.263  -2.947  -9.125
  396    HZ1  LYS  49           HZ1      LYS  49  -4.037  -4.176 -10.318
  397    HZ2  LYS  49           HZ2      LYS  49  -2.919  -5.405 -10.657
  398    HZ3  LYS  49           HZ3      LYS  49  -2.678  -3.843 -11.280
  399    H    LYS  50           H        LYS  50   3.150  -6.223  -5.994
  400    HA   LYS  50           HA       LYS  50   3.718  -8.518  -7.543
  401    HB2  LYS  50           HB2      LYS  50   5.365  -7.065  -6.287
  402    HB3  LYS  50           HB3      LYS  50   4.825  -7.850  -4.806
  403    HG2  LYS  50           HG2      LYS  50   5.536 -10.027  -5.625
  404    HG3  LYS  50           HG3      LYS  50   5.913  -9.352  -7.210
  405    HD2  LYS  50           HD2      LYS  50   8.017  -9.473  -6.130
  406    HD3  LYS  50           HD3      LYS  50   7.540  -7.784  -5.960
  407    HE2  LYS  50           HE2      LYS  50   6.638  -8.317  -3.680
  408    HE3  LYS  50           HE3      LYS  50   7.265  -9.957  -3.856
  409    HZ1  LYS  50           HZ1      LYS  50   9.469  -8.785  -4.363
  410    HZ2  LYS  50           HZ2      LYS  50   8.948  -8.844  -2.749
  411    HZ3  LYS  50           HZ3      LYS  50   8.753  -7.416  -3.650
  412    H    LEU  51           H        LEU  51   2.624  -8.173  -4.157
  413    HA   LEU  51           HA       LEU  51   2.315 -10.946  -3.647
  414    HB2  LEU  51           HB2      LEU  51   1.075  -8.505  -2.362
  415    HB3  LEU  51           HB3      LEU  51   0.829 -10.138  -1.747
  416    HG   LEU  51           HG       LEU  51   3.546  -8.818  -2.127
  417   HD11  LEU  51          HD11      LEU  51   3.394  -9.063   0.515
  418   HD12  LEU  51          HD12      LEU  51   1.661  -8.968   0.202
  419   HD13  LEU  51          HD13      LEU  51   2.721  -7.655  -0.301
  420   HD21  LEU  51          HD21      LEU  51   4.108 -10.804  -0.489
  421   HD22  LEU  51          HD22      LEU  51   3.956 -11.129  -2.214
  422   HD23  LEU  51          HD23      LEU  51   2.622 -11.511  -1.124
  423    H    ASN  52           H        ASN  52   0.112  -8.467  -4.889
  424    HA   ASN  52           HA       ASN  52  -2.295  -9.914  -4.899
  425    HB2  ASN  52           HB2      ASN  52  -2.073  -7.480  -5.434
  426    HB3  ASN  52           HB3      ASN  52  -1.339  -7.913  -6.970
  427   HD21  ASN  52          HD21      ASN  52  -4.334  -8.674  -5.094
  428   HD22  ASN  52          HD22      ASN  52  -5.347  -8.679  -6.458
  429    H    ASP  53           H        ASP  53   0.235  -9.646  -7.360
  430    HA   ASP  53           HA       ASP  53  -0.952 -11.442  -9.228
  431    HB2  ASP  53           HB2      ASP  53   0.779  -9.765  -9.799
  432    HB3  ASP  53           HB3      ASP  53   1.961 -10.674  -8.885
  433    H    ALA  54           H        ALA  54   1.163 -11.826  -6.456
  434    HA   ALA  54           HA       ALA  54   2.086 -14.425  -7.015
  435    HB1  ALA  54           HB1      ALA  54   2.913 -14.447  -4.784
  436    HB2  ALA  54           HB2      ALA  54   1.702 -13.284  -4.241
  437    HB3  ALA  54           HB3      ALA  54   3.009 -12.768  -5.311
  438    H    GLN  55           H        GLN  55  -0.518 -13.353  -4.780
  439    HA   GLN  55           HA       GLN  55  -1.328 -16.081  -4.264
  440    HB2  GLN  55           HB2      GLN  55  -2.477 -13.409  -3.438
  441    HB3  GLN  55           HB3      GLN  55  -3.121 -14.969  -2.917
  442    HG2  GLN  55           HG2      GLN  55  -0.997 -15.553  -1.873
  443    HG3  GLN  55           HG3      GLN  55  -0.244 -14.088  -2.503
  444   HE21  GLN  55          HE21      GLN  55  -3.316 -13.141  -1.780
  445   HE22  GLN  55          HE22      GLN  55  -3.077 -12.603  -0.202
  446    H    ALA  56           H        ALA  56  -2.379 -13.575  -6.484
  447    HA   ALA  56           HA       ALA  56  -5.019 -14.336  -6.944
  448    HB1  ALA  56           HB1      ALA  56  -4.334 -12.337  -7.966
  449    HB2  ALA  56           HB2      ALA  56  -4.564 -13.440  -9.325
  450    HB3  ALA  56           HB3      ALA  56  -2.939 -13.099  -8.733
  451    HA   PRO  57           HA       PRO  57  -5.211 -18.270  -8.924
  452    HB2  PRO  57           HB2      PRO  57  -6.608 -16.970 -11.228
  453    HB3  PRO  57           HB3      PRO  57  -7.111 -18.350 -10.233
  454    HG2  PRO  57           HG2      PRO  57  -8.216 -15.955  -9.923
  455    HG3  PRO  57           HG3      PRO  57  -7.899 -17.014  -8.539
  456    HD2  PRO  57           HD2      PRO  57  -6.439 -14.555  -9.401
  457    HD3  PRO  57           HD3      PRO  57  -6.728 -15.188  -7.764
  458    H    LYS  58           H        LYS  58  -4.428 -19.527 -10.714
  459    HA   LYS  58           HA       LYS  58  -2.876 -20.121 -12.294
  460    HB2  LYS  58           HB2      LYS  58  -3.430 -17.317 -13.317
  461    HB3  LYS  58           HB3      LYS  58  -2.585 -18.574 -14.215
  462    HG2  LYS  58           HG2      LYS  58  -4.623 -20.036 -13.971
  463    HG3  LYS  58           HG3      LYS  58  -5.465 -18.664 -13.252
  464    HD2  LYS  58           HD2      LYS  58  -4.169 -18.572 -15.997
  465    HD3  LYS  58           HD3      LYS  58  -5.865 -18.974 -15.739
  466    HE2  LYS  58           HE2      LYS  58  -6.211 -16.787 -14.623
  467    HE3  LYS  58           HE3      LYS  58  -4.519 -16.376 -14.912
  468    HZ1  LYS  58           HZ1      LYS  58  -5.892 -15.427 -16.625
  469    HZ2  LYS  58           HZ2      LYS  58  -6.575 -16.938 -16.981
  470    HZ3  LYS  58           HZ3      LYS  58  -4.931 -16.654 -17.301
  Start of MODEL   15
    1    H    VAL   1           H        VAL   1   7.085  20.237  -2.808
    2    HA   VAL   1           HA       VAL   1   5.043  19.972  -1.584
    3    HB   VAL   1           HB       VAL   1   7.501  19.689   0.192
    4   HG11  VAL   1          HG11      VAL   1   4.886  18.137   0.200
    5   HG12  VAL   1          HG12      VAL   1   5.310  19.390   1.368
    6   HG13  VAL   1          HG13      VAL   1   6.247  17.900   1.296
    7   HG21  VAL   1          HG21      VAL   1   7.930  18.576  -1.910
    8   HG22  VAL   1          HG22      VAL   1   6.308  17.881  -1.939
    9   HG23  VAL   1          HG23      VAL   1   7.485  17.327  -0.748
   10    H    ASP   2           H        ASP   2   3.766  21.768  -1.167
   11    HA   ASP   2           HA       ASP   2   4.502  23.929   0.518
   12    HB2  ASP   2           HB2      ASP   2   1.751  22.929  -0.288
   13    HB3  ASP   2           HB3      ASP   2   2.071  24.472   0.500
   14    H    ASN   3           H        ASN   3   1.915  21.548   1.190
   15    HA   ASN   3           HA       ASN   3   2.366  21.865   4.067
   16    HB2  ASN   3           HB2      ASN   3   0.253  20.287   2.566
   17    HB3  ASN   3           HB3      ASN   3   0.296  20.550   4.307
   18   HD21  ASN   3          HD21      ASN   3   0.734  23.191   4.684
   19   HD22  ASN   3          HD22      ASN   3  -0.399  24.148   3.854
   20    H    LYS   4           H        LYS   4   1.897  19.081   1.865
   21    HA   LYS   4           HA       LYS   4   4.235  17.696   2.652
   22    HB2  LYS   4           HB2      LYS   4   2.862  17.490   4.783
   23    HB3  LYS   4           HB3      LYS   4   1.722  16.516   3.857
   24    HG2  LYS   4           HG2      LYS   4   3.491  14.908   3.309
   25    HG3  LYS   4           HG3      LYS   4   4.684  15.907   4.142
   26    HD2  LYS   4           HD2      LYS   4   3.306  15.623   6.252
   27    HD3  LYS   4           HD3      LYS   4   2.332  14.440   5.375
   28    HE2  LYS   4           HE2      LYS   4   4.263  13.023   5.011
   29    HE3  LYS   4           HE3      LYS   4   5.345  14.250   5.673
   30    HZ1  LYS   4           HZ1      LYS   4   3.168  12.907   7.187
   31    HZ2  LYS   4           HZ2      LYS   4   4.285  14.020   7.810
   32    HZ3  LYS   4           HZ3      LYS   4   4.814  12.495   7.282
   33    H    PHE   5           H        PHE   5   4.533  15.778   1.461
   34    HA   PHE   5           HA       PHE   5   2.840  15.542  -0.887
   35    HB2  PHE   5           HB2      PHE   5   4.573  13.982  -1.711
   36    HB3  PHE   5           HB3      PHE   5   5.255  15.522  -1.202
   37    HD1  PHE   5           HD1      PHE   5   6.378  15.697   1.069
   38    HD2  PHE   5           HD2      PHE   5   5.232  11.923  -0.647
   39    HE1  PHE   5           HE1      PHE   5   7.891  14.521   2.636
   40    HE2  PHE   5           HE2      PHE   5   6.747  10.752   0.922
   41    HZ   PHE   5           HZ       PHE   5   8.078  12.052   2.564
   42    H    ASN   6           H        ASN   6   1.316  14.855   1.222
   43    HA   ASN   6           HA       ASN   6   1.319  11.967   1.584
   44    HB2  ASN   6           HB2      ASN   6  -0.597  12.361   3.061
   45    HB3  ASN   6           HB3      ASN   6   0.741  13.431   3.468
   46   HD21  ASN   6          HD21      ASN   6   0.590  15.698   2.388
   47   HD22  ASN   6          HD22      ASN   6  -0.958  16.379   2.254
   48    H    LYS   7           H        LYS   7   0.267  13.918  -0.891
   49    HA   LYS   7           HA       LYS   7  -2.330  12.988  -1.470
   50    HB2  LYS   7           HB2      LYS   7  -1.179  14.916  -2.594
   51    HB3  LYS   7           HB3      LYS   7  -0.174  13.761  -3.463
   52    HG2  LYS   7           HG2      LYS   7  -1.937  14.262  -4.969
   53    HG3  LYS   7           HG3      LYS   7  -2.388  12.706  -4.280
   54    HD2  LYS   7           HD2      LYS   7  -3.924  13.784  -2.718
   55    HD3  LYS   7           HD3      LYS   7  -3.395  15.381  -3.247
   56    HE2  LYS   7           HE2      LYS   7  -4.609  13.369  -5.158
   57    HE3  LYS   7           HE3      LYS   7  -5.590  14.523  -4.255
   58    HZ1  LYS   7           HZ1      LYS   7  -3.275  15.588  -5.671
   59    HZ2  LYS   7           HZ2      LYS   7  -4.813  16.264  -5.443
   60    HZ3  LYS   7           HZ3      LYS   7  -4.579  15.069  -6.628
   61    H    GLU   8           H        GLU   8   0.851  11.791  -2.532
   62    HA   GLU   8           HA       GLU   8  -0.066   9.621  -4.092
   63    HB2  GLU   8           HB2      GLU   8   2.541   9.963  -2.576
   64    HB3  GLU   8           HB3      GLU   8   2.236   8.717  -3.784
   65    HG2  GLU   8           HG2      GLU   8   3.046  10.215  -5.285
   66    HG3  GLU   8           HG3      GLU   8   1.481  11.005  -5.138
   67    H    MET   9           H        MET   9   0.581   9.972  -0.648
   68    HA   MET   9           HA       MET   9   0.524   7.246   0.091
   69    HB2  MET   9           HB2      MET   9  -0.319   9.670   1.713
   70    HB3  MET   9           HB3      MET   9   0.035   8.072   2.361
   71    HG2  MET   9           HG2      MET   9   2.343   8.227   1.513
   72    HG3  MET   9           HG3      MET   9   1.996   9.819   0.842
   73    HE1  MET   9           HE1      MET   9   4.271   9.796   2.156
   74    HE2  MET   9           HE2      MET   9   4.340  10.711   3.671
   75    HE3  MET   9           HE3      MET   9   3.645  11.449   2.224
   76    H    ARG  10           H        ARG  10  -2.052   9.678  -0.227
   77    HA   ARG  10           HA       ARG  10  -4.174   8.094   0.777
   78    HB2  ARG  10           HB2      ARG  10  -4.218  10.346  -1.259
   79    HB3  ARG  10           HB3      ARG  10  -5.651   9.657  -0.497
   80    HG2  ARG  10           HG2      ARG  10  -4.765  10.294   1.732
   81    HG3  ARG  10           HG3      ARG  10  -3.354  11.008   0.960
   82    HD2  ARG  10           HD2      ARG  10  -5.060  12.424  -0.389
   83    HD3  ARG  10           HD3      ARG  10  -6.224  11.923   0.836
   84    HE   ARG  10           HE       ARG  10  -3.810  12.991   1.990
   85   HH11  ARG  10          HH11      ARG  10  -6.866  13.829   0.552
   86   HH12  ARG  10          HH12      ARG  10  -6.952  15.370   1.335
   87   HH21  ARG  10          HH21      ARG  10  -3.934  15.001   2.989
   88   HH22  ARG  10          HH22      ARG  10  -5.301  16.030   2.711
   89    H    ASN  11           H        ASN  11  -2.856   8.538  -2.500
   90    HA   ASN  11           HA       ASN  11  -4.755   6.947  -3.869
   91    HB2  ASN  11           HB2      ASN  11  -1.876   7.627  -4.504
   92    HB3  ASN  11           HB3      ASN  11  -2.921   6.731  -5.605
   93   HD21  ASN  11          HD21      ASN  11  -1.981   9.887  -4.695
   94   HD22  ASN  11          HD22      ASN  11  -3.238  10.729  -5.463
   95    H    ALA  12           H        ALA  12  -1.520   6.069  -2.585
   96    HA   ALA  12           HA       ALA  12  -1.743   3.315  -3.301
   97    HB1  ALA  12           HB1      ALA  12   0.442   4.389  -2.915
   98    HB2  ALA  12           HB2      ALA  12   0.234   2.975  -1.884
   99    HB3  ALA  12           HB3      ALA  12   0.040   4.596  -1.209
  100    H    TYR  13           H        TYR  13  -2.687   5.167  -0.467
  101    HA   TYR  13           HA       TYR  13  -3.032   3.143   1.433
  102    HB2  TYR  13           HB2      TYR  13  -3.205   5.557   1.929
  103    HB3  TYR  13           HB3      TYR  13  -4.698   5.651   1.009
  104    HD1  TYR  13           HD1      TYR  13  -6.745   4.418   1.829
  105    HD2  TYR  13           HD2      TYR  13  -3.171   4.755   4.195
  106    HE1  TYR  13           HE1      TYR  13  -8.030   3.812   3.858
  107    HE2  TYR  13           HE2      TYR  13  -4.462   4.144   6.223
  108    HH   TYR  13           HH       TYR  13  -7.690   4.294   6.459
  109    H    TRP  14           H        TRP  14  -5.526   4.505  -0.758
  110    HA   TRP  14           HA       TRP  14  -7.482   2.546  -0.079
  111    HB2  TRP  14           HB2      TRP  14  -7.291   4.430  -2.435
  112    HB3  TRP  14           HB3      TRP  14  -8.675   3.394  -2.100
  113    HD1  TRP  14           HD1      TRP  14  -7.372   6.743  -1.347
  114    HE1  TRP  14           HE1      TRP  14  -8.683   7.826   0.588
  115    HE3  TRP  14           HE3      TRP  14  -9.897   2.661   0.408
  116    HZ2  TRP  14           HZ2      TRP  14 -10.554   7.069   2.610
  117    HZ3  TRP  14           HZ3      TRP  14 -11.437   2.874   2.338
  118    HH2  TRP  14           HH2      TRP  14 -11.770   5.069   3.441
  119    H    GLU  15           H        GLU  15  -5.189   2.799  -2.806
  120    HA   GLU  15           HA       GLU  15  -6.186   0.670  -4.341
  121    HB2  GLU  15           HB2      GLU  15  -3.410   1.830  -4.072
  122    HB3  GLU  15           HB3      GLU  15  -3.778   0.525  -5.201
  123    HG2  GLU  15           HG2      GLU  15  -5.499   1.913  -6.280
  124    HG3  GLU  15           HG3      GLU  15  -5.190   3.215  -5.138
  125    H    ILE  16           H        ILE  16  -3.796   0.626  -1.688
  126    HA   ILE  16           HA       ILE  16  -3.197  -2.151  -1.896
  127    HB   ILE  16           HB       ILE  16  -2.985  -0.237   0.452
  128   HG12  ILE  16          HG12      ILE  16  -0.774  -1.396  -1.269
  129   HG13  ILE  16          HG13      ILE  16  -1.581   0.106  -1.693
  130   HG21  ILE  16          HG21      ILE  16  -2.028  -3.103   0.121
  131   HG22  ILE  16          HG22      ILE  16  -3.070  -2.459   1.390
  132   HG23  ILE  16          HG23      ILE  16  -1.369  -2.005   1.334
  133   HD11  ILE  16          HD11      ILE  16  -0.239  -0.396   0.980
  134   HD12  ILE  16          HD12      ILE  16  -0.895   1.134   0.398
  135   HD13  ILE  16          HD13      ILE  16   0.530   0.436  -0.370
  136    H    ALA  17           H        ALA  17  -5.376  -0.346   0.281
  137    HA   ALA  17           HA       ALA  17  -6.463  -2.537   1.648
  138    HB1  ALA  17           HB1      ALA  17  -6.738  -0.155   2.311
  139    HB2  ALA  17           HB2      ALA  17  -8.266  -1.035   2.287
  140    HB3  ALA  17           HB3      ALA  17  -7.860   0.063   0.967
  141    H    LEU  18           H        LEU  18  -7.267  -1.177  -1.493
  142    HA   LEU  18           HA       LEU  18  -9.787  -2.348  -1.891
  143    HB2  LEU  18           HB2      LEU  18  -8.799  -0.564  -3.323
  144    HB3  LEU  18           HB3      LEU  18  -7.688  -1.752  -3.993
  145    HG   LEU  18           HG       LEU  18  -9.699  -3.107  -4.727
  146   HD11  LEU  18          HD11      LEU  18 -11.837  -1.662  -4.906
  147   HD12  LEU  18          HD12      LEU  18 -11.109  -0.654  -3.655
  148   HD13  LEU  18          HD13      LEU  18 -11.461  -2.351  -3.328
  149   HD21  LEU  18          HD21      LEU  18  -9.480  -0.269  -5.789
  150   HD22  LEU  18          HD22      LEU  18 -10.237  -1.617  -6.637
  151   HD23  LEU  18          HD23      LEU  18  -8.506  -1.645  -6.306
  152    H    LEU  19           H        LEU  19  -6.522  -3.677  -2.385
  153    HA   LEU  19           HA       LEU  19  -7.373  -6.014  -3.796
  154    HB2  LEU  19           HB2      LEU  19  -4.870  -5.077  -2.489
  155    HB3  LEU  19           HB3      LEU  19  -5.040  -6.809  -2.723
  156    HG   LEU  19           HG       LEU  19  -5.123  -6.623  -5.066
  157   HD11  LEU  19          HD11      LEU  19  -6.780  -4.966  -5.470
  158   HD12  LEU  19          HD12      LEU  19  -5.306  -4.328  -6.198
  159   HD13  LEU  19          HD13      LEU  19  -5.849  -3.720  -4.635
  160   HD21  LEU  19          HD21      LEU  19  -3.150  -5.394  -5.681
  161   HD22  LEU  19          HD22      LEU  19  -2.894  -5.991  -4.042
  162   HD23  LEU  19          HD23      LEU  19  -3.329  -4.303  -4.307
  163    HA   PRO  20           HA       PRO  20  -8.949  -8.033  -0.074
  164    HB2  PRO  20           HB2      PRO  20 -10.470  -9.872  -1.272
  165    HB3  PRO  20           HB3      PRO  20 -10.870  -8.144  -1.380
  166    HG2  PRO  20           HG2      PRO  20  -9.549  -9.902  -3.397
  167    HG3  PRO  20           HG3      PRO  20 -10.784  -8.654  -3.629
  168    HD2  PRO  20           HD2      PRO  20  -8.039  -8.297  -4.022
  169    HD3  PRO  20           HD3      PRO  20  -9.224  -6.993  -3.791
  170    H    ASN  21           H        ASN  21  -7.109  -9.731  -2.587
  171    HA   ASN  21           HA       ASN  21  -7.001 -12.214  -1.118
  172    HB2  ASN  21           HB2      ASN  21  -5.165 -12.682  -2.953
  173    HB3  ASN  21           HB3      ASN  21  -6.876 -12.675  -3.359
  174   HD21  ASN  21          HD21      ASN  21  -6.721 -11.917  -5.508
  175   HD22  ASN  21          HD22      ASN  21  -6.095 -10.392  -5.908
  176    H    LEU  22           H        LEU  22  -5.353  -9.318  -0.689
  177    HA   LEU  22           HA       LEU  22  -2.760 -10.391  -0.068
  178    HB2  LEU  22           HB2      LEU  22  -3.964  -7.827   0.994
  179    HB3  LEU  22           HB3      LEU  22  -2.256  -8.273   0.986
  180    HG   LEU  22           HG       LEU  22  -3.842  -8.096  -1.569
  181   HD11  LEU  22          HD11      LEU  22  -2.349  -5.895  -0.101
  182   HD12  LEU  22          HD12      LEU  22  -4.060  -5.906  -0.528
  183   HD13  LEU  22          HD13      LEU  22  -2.835  -5.788  -1.791
  184   HD21  LEU  22          HD21      LEU  22  -0.895  -7.607  -1.102
  185   HD22  LEU  22          HD22      LEU  22  -1.718  -7.994  -2.612
  186   HD23  LEU  22          HD23      LEU  22  -1.529  -9.229  -1.375
  187    H    ASN  23           H        ASN  23  -2.052 -11.333   1.723
  188    HA   ASN  23           HA       ASN  23  -3.742 -12.437   3.640
  189    HB2  ASN  23           HB2      ASN  23  -1.358 -13.099   3.224
  190    HB3  ASN  23           HB3      ASN  23  -0.855 -11.674   4.127
  191   HD21  ASN  23          HD21      ASN  23   0.044 -12.784   5.946
  192   HD22  ASN  23          HD22      ASN  23  -0.895 -13.729   6.996
  193    H    ASN  24           H        ASN  24  -4.179 -11.958   5.843
  194    HA   ASN  24           HA       ASN  24  -5.116  -9.430   6.435
  195    HB2  ASN  24           HB2      ASN  24  -5.648 -11.564   7.651
  196    HB3  ASN  24           HB3      ASN  24  -4.111 -11.404   8.497
  197   HD21  ASN  24          HD21      ASN  24  -7.410 -10.324   8.433
  198   HD22  ASN  24          HD22      ASN  24  -7.277  -9.185   9.686
  199    H    GLN  25           H        GLN  25  -1.931 -10.774   7.240
  200    HA   GLN  25           HA       GLN  25  -1.070  -8.471   8.740
  201    HB2  GLN  25           HB2      GLN  25   0.527 -10.741   7.513
  202    HB3  GLN  25           HB3      GLN  25   1.162  -9.546   8.642
  203    HG2  GLN  25           HG2      GLN  25  -1.113 -11.469   9.227
  204    HG3  GLN  25           HG3      GLN  25   0.548 -11.659   9.781
  205   HE21  GLN  25          HE21      GLN  25  -2.298 -10.876  11.064
  206   HE22  GLN  25          HE22      GLN  25  -1.845  -9.654  12.150
  207    H    GLN  26           H        GLN  26  -0.366  -9.741   5.491
  208    HA   GLN  26           HA       GLN  26   1.455  -7.786   4.651
  209    HB2  GLN  26           HB2      GLN  26  -0.524  -9.419   3.046
  210    HB3  GLN  26           HB3      GLN  26   0.806  -8.499   2.347
  211    HG2  GLN  26           HG2      GLN  26   2.439  -9.841   3.574
  212    HG3  GLN  26           HG3      GLN  26   1.151 -10.707   4.407
  213   HE21  GLN  26          HE21      GLN  26  -0.618 -11.124   2.159
  214   HE22  GLN  26          HE22      GLN  26   0.154 -12.186   1.079
  215    H    LYS  27           H        LYS  27  -2.078  -7.905   4.234
  216    HA   LYS  27           HA       LYS  27  -2.428  -5.653   2.625
  217    HB2  LYS  27           HB2      LYS  27  -4.129  -7.440   3.386
  218    HB3  LYS  27           HB3      LYS  27  -4.366  -6.430   4.808
  219    HG2  LYS  27           HG2      LYS  27  -4.752  -4.493   3.123
  220    HG3  LYS  27           HG3      LYS  27  -4.932  -5.760   1.913
  221    HD2  LYS  27           HD2      LYS  27  -6.582  -5.460   4.450
  222    HD3  LYS  27           HD3      LYS  27  -7.131  -5.115   2.816
  223    HE2  LYS  27           HE2      LYS  27  -6.424  -7.820   3.995
  224    HE3  LYS  27           HE3      LYS  27  -7.988  -7.287   3.385
  225    HZ1  LYS  27           HZ1      LYS  27  -6.511  -6.921   1.220
  226    HZ2  LYS  27           HZ2      LYS  27  -7.283  -8.393   1.566
  227    HZ3  LYS  27           HZ3      LYS  27  -5.634  -8.196   1.931
  228    H    ARG  28           H        ARG  28  -2.455  -5.881   6.168
  229    HA   ARG  28           HA       ARG  28  -2.792  -3.037   6.552
  230    HB2  ARG  28           HB2      ARG  28  -2.140  -5.278   8.486
  231    HB3  ARG  28           HB3      ARG  28  -2.498  -3.616   8.957
  232    HG2  ARG  28           HG2      ARG  28  -4.723  -3.799   7.852
  233    HG3  ARG  28           HG3      ARG  28  -4.368  -5.478   7.446
  234    HD2  ARG  28           HD2      ARG  28  -4.464  -4.355  10.260
  235    HD3  ARG  28           HD3      ARG  28  -5.756  -5.277   9.502
  236    HE   ARG  28           HE       ARG  28  -3.701  -6.993   9.253
  237   HH11  ARG  28          HH11      ARG  28  -4.785  -5.086  11.963
  238   HH12  ARG  28          HH12      ARG  28  -4.192  -6.203  13.144
  239   HH21  ARG  28          HH21      ARG  28  -2.946  -8.433  10.818
  240   HH22  ARG  28          HH22      ARG  28  -3.158  -8.083  12.501
  241    H    ALA  29           H        ALA  29  -0.098  -5.301   6.534
  242    HA   ALA  29           HA       ALA  29   1.829  -3.788   7.875
  243    HB1  ALA  29           HB1      ALA  29   3.485  -5.168   6.567
  244    HB2  ALA  29           HB2      ALA  29   2.118  -5.845   5.683
  245    HB3  ALA  29           HB3      ALA  29   2.254  -6.096   7.424
  246    H    PHE  30           H        PHE  30   1.104  -3.812   4.343
  247    HA   PHE  30           HA       PHE  30   3.227  -2.125   3.599
  248    HB2  PHE  30           HB2      PHE  30   0.533  -2.630   2.343
  249    HB3  PHE  30           HB3      PHE  30   1.698  -1.522   1.622
  250    HD1  PHE  30           HD1      PHE  30   4.204  -2.492   1.549
  251    HD2  PHE  30           HD2      PHE  30   0.627  -4.872   1.629
  252    HE1  PHE  30           HE1      PHE  30   5.450  -4.389   0.565
  253    HE2  PHE  30           HE2      PHE  30   1.877  -6.773   0.650
  254    HZ   PHE  30           HZ       PHE  30   4.291  -6.530   0.114
  255    H    ILE  31           H        ILE  31  -0.186  -1.132   4.091
  256    HA   ILE  31           HA       ILE  31   0.200   1.605   3.818
  257    HB   ILE  31           HB       ILE  31  -1.849   0.122   5.492
  258   HG12  ILE  31          HG12      ILE  31  -1.934   1.324   2.688
  259   HG13  ILE  31          HG13      ILE  31  -1.892  -0.394   3.064
  260   HG21  ILE  31          HG21      ILE  31  -3.156   2.256   5.328
  261   HG22  ILE  31          HG22      ILE  31  -1.736   3.039   4.638
  262   HG23  ILE  31          HG23      ILE  31  -1.693   2.429   6.292
  263   HD11  ILE  31          HD11      ILE  31  -4.176  -0.001   2.663
  264   HD12  ILE  31          HD12      ILE  31  -4.149   1.568   3.465
  265   HD13  ILE  31          HD13      ILE  31  -4.077   0.087   4.422
  266    H    ARG  32           H        ARG  32   0.378  -0.336   6.837
  267    HA   ARG  32           HA       ARG  32   0.879   1.858   8.570
  268    HB2  ARG  32           HB2      ARG  32   1.582  -1.080   8.796
  269    HB3  ARG  32           HB3      ARG  32   1.875   0.087  10.087
  270    HG2  ARG  32           HG2      ARG  32  -0.534   0.657  10.126
  271    HG3  ARG  32           HG3      ARG  32  -0.833  -0.512   8.841
  272    HD2  ARG  32           HD2      ARG  32  -1.376  -1.575  10.941
  273    HD3  ARG  32           HD3      ARG  32   0.118  -2.300  10.346
  274    HE   ARG  32           HE       ARG  32   0.794  -0.135  12.017
  275   HH11  ARG  32          HH11      ARG  32  -0.681  -3.277  12.207
  276   HH12  ARG  32          HH12      ARG  32  -0.179  -3.553  13.839
  277   HH21  ARG  32          HH21      ARG  32   1.440  -0.511  14.145
  278   HH22  ARG  32          HH22      ARG  32   1.017  -1.994  14.931
  279    H    SER  33           H        SER  33   3.096  -0.375   6.891
  280    HA   SER  33           HA       SER  33   5.517   0.736   7.842
  281    HB2  SER  33           HB2      SER  33   4.950  -0.706   5.238
  282    HB3  SER  33           HB3      SER  33   6.557  -0.360   5.871
  283    HG   SER  33           HG       SER  33   4.540  -2.046   6.912
  284    H    LEU  34           H        LEU  34   3.317   1.650   5.293
  285    HA   LEU  34           HA       LEU  34   4.933   3.373   3.771
  286    HB2  LEU  34           HB2      LEU  34   2.367   2.516   3.605
  287    HB3  LEU  34           HB3      LEU  34   2.085   4.136   4.219
  288    HG   LEU  34           HG       LEU  34   4.035   3.946   1.980
  289   HD11  LEU  34          HD11      LEU  34   2.012   2.297   1.555
  290   HD12  LEU  34          HD12      LEU  34   2.532   3.403   0.280
  291   HD13  LEU  34          HD13      LEU  34   1.117   3.791   1.261
  292   HD21  LEU  34          HD21      LEU  34   1.742   5.761   2.790
  293   HD22  LEU  34          HD22      LEU  34   2.566   5.931   1.241
  294   HD23  LEU  34          HD23      LEU  34   3.464   6.144   2.741
  295    H    TYR  35           H        TYR  35   2.917   3.981   6.634
  296    HA   TYR  35           HA       TYR  35   3.417   6.771   6.824
  297    HB2  TYR  35           HB2      TYR  35   1.563   5.576   8.005
  298    HB3  TYR  35           HB3      TYR  35   2.758   4.829   9.063
  299    HD1  TYR  35           HD1      TYR  35   1.211   8.049   8.049
  300    HD2  TYR  35           HD2      TYR  35   3.835   6.086  10.835
  301    HE1  TYR  35           HE1      TYR  35   1.196  10.067   9.490
  302    HE2  TYR  35           HE2      TYR  35   3.817   8.107  12.272
  303    HH   TYR  35           HH       TYR  35   1.770  10.254  12.395
  304    H    ASP  36           H        ASP  36   5.020   3.899   8.120
  305    HA   ASP  36           HA       ASP  36   6.890   5.255   9.787
  306    HB2  ASP  36           HB2      ASP  36   6.237   2.787   9.857
  307    HB3  ASP  36           HB3      ASP  36   7.335   2.559   8.498
  308    H    ASP  37           H        ASP  37   7.017   4.203   6.398
  309    HA   ASP  37           HA       ASP  37   9.408   5.887   5.984
  310    HB2  ASP  37           HB2      ASP  37   9.138   2.998   5.098
  311    HB3  ASP  37           HB3      ASP  37  10.408   4.093   4.558
  312    HA   PRO  38           HA       PRO  38   5.984   6.545   2.852
  313    HB2  PRO  38           HB2      PRO  38   6.439   9.280   2.695
  314    HB3  PRO  38           HB3      PRO  38   5.265   8.504   3.773
  315    HG2  PRO  38           HG2      PRO  38   7.999   9.509   4.362
  316    HG3  PRO  38           HG3      PRO  38   6.532   9.566   5.354
  317    HD2  PRO  38           HD2      PRO  38   8.510   7.772   5.818
  318    HD3  PRO  38           HD3      PRO  38   6.802   7.389   6.125
  319    H    SER  39           H        SER  39   9.356   7.154   3.017
  320    HA   SER  39           HA       SER  39   9.871   8.262   0.487
  321    HB2  SER  39           HB2      SER  39  11.620   6.430   2.145
  322    HB3  SER  39           HB3      SER  39  12.167   7.440   0.809
  323    HG   SER  39           HG       SER  39  11.612   9.250   1.988
  324    H    GLN  40           H        GLN  40   9.198   4.918   1.429
  325    HA   GLN  40           HA       GLN  40   9.882   4.006  -1.305
  326    HB2  GLN  40           HB2      GLN  40   9.187   2.175   0.983
  327    HB3  GLN  40           HB3      GLN  40  10.134   1.836  -0.458
  328    HG2  GLN  40           HG2      GLN  40  10.973   3.608   1.843
  329    HG3  GLN  40           HG3      GLN  40  11.594   2.004   1.489
  330   HE21  GLN  40          HE21      GLN  40  12.734   4.982   1.373
  331   HE22  GLN  40          HE22      GLN  40  13.591   4.971  -0.093
  332    H    SER  41           H        SER  41   7.218   5.272  -0.011
  333    HA   SER  41           HA       SER  41   5.090   3.554  -0.082
  334    HB2  SER  41           HB2      SER  41   5.099   6.273  -1.403
  335    HB3  SER  41           HB3      SER  41   3.693   5.407  -0.786
  336    HG   SER  41           HG       SER  41   5.680   6.799   0.549
  337    H    ALA  42           H        ALA  42   6.853   4.782  -2.859
  338    HA   ALA  42           HA       ALA  42   5.116   3.982  -4.931
  339    HB1  ALA  42           HB1      ALA  42   7.122   4.124  -6.347
  340    HB2  ALA  42           HB2      ALA  42   8.142   4.144  -4.906
  341    HB3  ALA  42           HB3      ALA  42   7.048   5.491  -5.233
  342    H    ASN  43           H        ASN  43   7.953   2.348  -3.533
  343    HA   ASN  43           HA       ASN  43   7.633  -0.020  -5.098
  344    HB2  ASN  43           HB2      ASN  43   9.692  -0.517  -4.334
  345    HB3  ASN  43           HB3      ASN  43   9.671   1.073  -3.586
  346   HD21  ASN  43          HD21      ASN  43   8.456   1.011  -1.332
  347   HD22  ASN  43          HD22      ASN  43   8.906  -0.271  -0.325
  348    H    LEU  44           H        LEU  44   6.607   0.907  -1.831
  349    HA   LEU  44           HA       LEU  44   5.808  -1.651  -0.930
  350    HB2  LEU  44           HB2      LEU  44   4.642   1.041  -0.267
  351    HB3  LEU  44           HB3      LEU  44   4.386  -0.419   0.660
  352    HG   LEU  44           HG       LEU  44   7.082   0.944   0.217
  353   HD11  LEU  44          HD11      LEU  44   6.944   1.402   2.650
  354   HD12  LEU  44          HD12      LEU  44   5.316   0.724   2.677
  355   HD13  LEU  44          HD13      LEU  44   5.647   2.194   1.760
  356   HD21  LEU  44          HD21      LEU  44   6.290  -1.544   1.767
  357   HD22  LEU  44          HD22      LEU  44   7.824  -0.704   1.989
  358   HD23  LEU  44          HD23      LEU  44   7.439  -1.437   0.435
  359    H    LEU  45           H        LEU  45   4.037   0.906  -2.652
  360    HA   LEU  45           HA       LEU  45   1.501  -0.348  -2.757
  361    HB2  LEU  45           HB2      LEU  45   1.656   1.978  -3.307
  362    HB3  LEU  45           HB3      LEU  45   2.865   1.674  -4.545
  363    HG   LEU  45           HG       LEU  45   1.183   0.476  -5.912
  364   HD11  LEU  45          HD11      LEU  45  -0.682   1.176  -3.623
  365   HD12  LEU  45          HD12      LEU  45  -0.270  -0.437  -4.203
  366   HD13  LEU  45          HD13      LEU  45  -1.235   0.640  -5.210
  367   HD21  LEU  45          HD21      LEU  45   1.460   2.924  -6.189
  368   HD22  LEU  45          HD22      LEU  45   0.201   3.196  -4.984
  369   HD23  LEU  45          HD23      LEU  45  -0.197   2.417  -6.517
  370    H    ALA  46           H        ALA  46   4.208  -0.316  -5.043
  371    HA   ALA  46           HA       ALA  46   3.095  -2.043  -6.998
  372    HB1  ALA  46           HB1      ALA  46   6.023  -1.725  -6.276
  373    HB2  ALA  46           HB2      ALA  46   5.131  -0.627  -7.329
  374    HB3  ALA  46           HB3      ALA  46   5.372  -2.306  -7.810
  375    H    GLU  47           H        GLU  47   4.991  -2.636  -4.084
  376    HA   GLU  47           HA       GLU  47   5.383  -5.422  -4.389
  377    HB2  GLU  47           HB2      GLU  47   5.431  -3.510  -2.057
  378    HB3  GLU  47           HB3      GLU  47   5.547  -5.255  -1.786
  379    HG2  GLU  47           HG2      GLU  47   7.370  -3.708  -3.659
  380    HG3  GLU  47           HG3      GLU  47   7.782  -4.121  -1.999
  381    H    ALA  48           H        ALA  48   2.767  -3.511  -2.969
  382    HA   ALA  48           HA       ALA  48   1.355  -5.653  -1.755
  383    HB1  ALA  48           HB1      ALA  48  -0.536  -4.124  -1.689
  384    HB2  ALA  48           HB2      ALA  48   0.213  -3.086  -2.901
  385    HB3  ALA  48           HB3      ALA  48   0.933  -3.231  -1.298
  386    H    LYS  49           H        LYS  49   1.170  -4.131  -4.943
  387    HA   LYS  49           HA       LYS  49  -0.966  -5.674  -5.974
  388    HB2  LYS  49           HB2      LYS  49   0.321  -3.505  -6.874
  389    HB3  LYS  49           HB3      LYS  49   1.201  -4.722  -7.800
  390    HG2  LYS  49           HG2      LYS  49  -1.104  -5.647  -8.479
  391    HG3  LYS  49           HG3      LYS  49  -1.773  -4.159  -7.816
  392    HD2  LYS  49           HD2      LYS  49   0.209  -3.124  -9.368
  393    HD3  LYS  49           HD3      LYS  49  -0.178  -4.579 -10.288
  394    HE2  LYS  49           HE2      LYS  49  -2.619  -3.885 -10.166
  395    HE3  LYS  49           HE3      LYS  49  -2.071  -2.348  -9.486
  396    HZ1  LYS  49           HZ1      LYS  49  -1.363  -3.478 -12.141
  397    HZ2  LYS  49           HZ2      LYS  49  -0.658  -2.084 -11.482
  398    HZ3  LYS  49           HZ3      LYS  49  -2.320  -2.107 -11.837
  399    H    LYS  50           H        LYS  50   2.522  -6.169  -5.810
  400    HA   LYS  50           HA       LYS  50   2.806  -8.334  -7.571
  401    HB2  LYS  50           HB2      LYS  50   4.640  -6.983  -6.462
  402    HB3  LYS  50           HB3      LYS  50   4.347  -7.917  -4.998
  403    HG2  LYS  50           HG2      LYS  50   4.864 -10.003  -6.181
  404    HG3  LYS  50           HG3      LYS  50   5.066  -9.119  -7.693
  405    HD2  LYS  50           HD2      LYS  50   7.280  -9.378  -6.916
  406    HD3  LYS  50           HD3      LYS  50   6.856  -7.739  -6.423
  407    HE2  LYS  50           HE2      LYS  50   6.257  -8.598  -4.161
  408    HE3  LYS  50           HE3      LYS  50   6.762 -10.212  -4.663
  409    HZ1  LYS  50           HZ1      LYS  50   8.952  -9.075  -5.267
  410    HZ2  LYS  50           HZ2      LYS  50   8.626  -9.338  -3.623
  411    HZ3  LYS  50           HZ3      LYS  50   8.411  -7.790  -4.293
  412    H    LEU  51           H        LEU  51   2.177  -8.292  -4.058
  413    HA   LEU  51           HA       LEU  51   2.045 -11.103  -3.724
  414    HB2  LEU  51           HB2      LEU  51   1.165  -8.727  -2.132
  415    HB3  LEU  51           HB3      LEU  51   0.547 -10.308  -1.662
  416    HG   LEU  51           HG       LEU  51   3.502  -9.854  -2.149
  417   HD11  LEU  51          HD11      LEU  51   1.896  -9.305   0.351
  418   HD12  LEU  51          HD12      LEU  51   3.049  -8.252  -0.465
  419   HD13  LEU  51          HD13      LEU  51   3.620  -9.671   0.409
  420   HD21  LEU  51          HD21      LEU  51   1.849 -11.901  -0.634
  421   HD22  LEU  51          HD22      LEU  51   3.601 -11.779  -0.475
  422   HD23  LEU  51          HD23      LEU  51   2.884 -12.179  -2.033
  423    H    ASN  52           H        ASN  52  -0.380  -8.670  -4.530
  424    HA   ASN  52           HA       ASN  52  -2.671 -10.326  -4.370
  425    HB2  ASN  52           HB2      ASN  52  -3.258  -8.106  -4.499
  426    HB3  ASN  52           HB3      ASN  52  -1.974  -7.711  -5.629
  427   HD21  ASN  52          HD21      ASN  52  -5.306  -8.854  -5.370
  428   HD22  ASN  52          HD22      ASN  52  -5.649  -8.773  -7.033
  429    H    ASP  53           H        ASP  53  -0.549  -9.465  -7.098
  430    HA   ASP  53           HA       ASP  53  -1.874 -10.991  -9.071
  431    HB2  ASP  53           HB2      ASP  53  -0.192  -9.215  -9.512
  432    HB3  ASP  53           HB3      ASP  53   1.070 -10.286  -8.941
  433    H    ALA  54           H        ALA  54   0.711 -11.811  -6.797
  434    HA   ALA  54           HA       ALA  54   1.237 -14.369  -7.943
  435    HB1  ALA  54           HB1      ALA  54   2.919 -13.136  -6.635
  436    HB2  ALA  54           HB2      ALA  54   2.628 -14.738  -5.956
  437    HB3  ALA  54           HB3      ALA  54   1.924 -13.313  -5.189
  438    H    GLN  55           H        GLN  55  -0.449 -13.382  -4.943
  439    HA   GLN  55           HA       GLN  55  -1.219 -15.998  -4.167
  440    HB2  GLN  55           HB2      GLN  55  -2.386 -13.299  -3.409
  441    HB3  GLN  55           HB3      GLN  55  -2.831 -14.828  -2.654
  442    HG2  GLN  55           HG2      GLN  55  -0.664 -15.150  -1.752
  443    HG3  GLN  55           HG3      GLN  55   0.055 -13.943  -2.818
  444   HE21  GLN  55          HE21      GLN  55  -1.506 -11.736  -2.543
  445   HE22  GLN  55          HE22      GLN  55  -1.583 -11.227  -0.930
  446    H    ALA  56           H        ALA  56  -2.640 -13.729  -6.411
  447    HA   ALA  56           HA       ALA  56  -5.296 -14.542  -6.477
  448    HB1  ALA  56           HB1      ALA  56  -3.447 -13.471  -8.595
  449    HB2  ALA  56           HB2      ALA  56  -4.784 -12.662  -7.780
  450    HB3  ALA  56           HB3      ALA  56  -5.112 -13.903  -8.989
  451    HA   PRO  57           HA       PRO  57  -5.693 -18.654  -8.041
  452    HB2  PRO  57           HB2      PRO  57  -7.347 -17.561 -10.280
  453    HB3  PRO  57           HB3      PRO  57  -7.724 -18.849  -9.119
  454    HG2  PRO  57           HG2      PRO  57  -8.803 -16.430  -8.899
  455    HG3  PRO  57           HG3      PRO  57  -8.332 -17.369  -7.472
  456    HD2  PRO  57           HD2      PRO  57  -6.997 -14.991  -8.686
  457    HD3  PRO  57           HD3      PRO  57  -7.086 -15.495  -6.983
  458    H    LYS  58           H        LYS  58  -5.063 -20.081  -9.712
  459    HA   LYS  58           HA       LYS  58  -3.756 -20.870 -11.407
  460    HB2  LYS  58           HB2      LYS  58  -4.361 -18.171 -12.657
  461    HB3  LYS  58           HB3      LYS  58  -3.609 -19.523 -13.494
  462    HG2  LYS  58           HG2      LYS  58  -5.628 -20.920 -12.916
  463    HG3  LYS  58           HG3      LYS  58  -6.392 -19.465 -12.277
  464    HD2  LYS  58           HD2      LYS  58  -5.348 -19.695 -15.120
  465    HD3  LYS  58           HD3      LYS  58  -7.019 -20.023 -14.669
  466    HE2  LYS  58           HE2      LYS  58  -7.242 -17.725 -13.789
  467    HE3  LYS  58           HE3      LYS  58  -5.568 -17.388 -14.232
  468    HZ1  LYS  58           HZ1      LYS  58  -7.676 -18.227 -16.147
  469    HZ2  LYS  58           HZ2      LYS  58  -6.093 -17.749 -16.526
  470    HZ3  LYS  58           HZ3      LYS  58  -7.192 -16.617 -15.896
  Start of MODEL   16
    1    H    VAL   1           H        VAL   1   2.894  20.019   6.788
    2    HA   VAL   1           HA       VAL   1   5.766  20.082   6.075
    3    HB   VAL   1           HB       VAL   1   3.779  17.779   6.122
    4   HG11  VAL   1          HG11      VAL   1   5.580  17.205   4.691
    5   HG12  VAL   1          HG12      VAL   1   6.028  16.499   6.241
    6   HG13  VAL   1          HG13      VAL   1   6.769  18.010   5.716
    7   HG21  VAL   1          HG21      VAL   1   5.088  17.096   8.207
    8   HG22  VAL   1          HG22      VAL   1   4.014  18.479   8.412
    9   HG23  VAL   1          HG23      VAL   1   5.750  18.731   8.227
   10    H    ASP   2           H        ASP   2   6.091  19.036   3.886
   11    HA   ASP   2           HA       ASP   2   4.750  20.509   1.889
   12    HB2  ASP   2           HB2      ASP   2   7.082  19.506   1.768
   13    HB3  ASP   2           HB3      ASP   2   6.310  17.959   1.431
   14    H    ASN   3           H        ASN   3   3.110  20.050   0.538
   15    HA   ASN   3           HA       ASN   3   1.027  18.373   1.268
   16    HB2  ASN   3           HB2      ASN   3   1.678  19.466  -1.480
   17    HB3  ASN   3           HB3      ASN   3   0.120  18.803  -0.997
   18   HD21  ASN   3          HD21      ASN   3   1.276  21.700  -1.650
   19   HD22  ASN   3          HD22      ASN   3   0.577  22.641  -0.420
   20    H    LYS   4           H        LYS   4   3.892  17.547  -0.541
   21    HA   LYS   4           HA       LYS   4   3.036  15.404  -2.080
   22    HB2  LYS   4           HB2      LYS   4   5.318  14.560  -1.989
   23    HB3  LYS   4           HB3      LYS   4   5.307  16.305  -2.200
   24    HG2  LYS   4           HG2      LYS   4   6.505  16.594  -0.323
   25    HG3  LYS   4           HG3      LYS   4   5.332  15.697   0.629
   26    HD2  LYS   4           HD2      LYS   4   7.245  14.167  -1.117
   27    HD3  LYS   4           HD3      LYS   4   7.836  14.855   0.384
   28    HE2  LYS   4           HE2      LYS   4   7.142  12.791   1.167
   29    HE3  LYS   4           HE3      LYS   4   5.650  13.698   1.384
   30    HZ1  LYS   4           HZ1      LYS   4   4.631  12.415  -0.095
   31    HZ2  LYS   4           HZ2      LYS   4   6.009  11.426  -0.132
   32    HZ3  LYS   4           HZ3      LYS   4   5.836  12.682  -1.264
   33    H    PHE   5           H        PHE   5   3.370  15.536   1.380
   34    HA   PHE   5           HA       PHE   5   3.667  12.793   1.919
   35    HB2  PHE   5           HB2      PHE   5   3.248  15.207   3.431
   36    HB3  PHE   5           HB3      PHE   5   2.170  13.960   4.047
   37    HD1  PHE   5           HD1      PHE   5   3.094  11.739   4.756
   38    HD2  PHE   5           HD2      PHE   5   5.628  15.060   3.748
   39    HE1  PHE   5           HE1      PHE   5   4.997  10.623   5.880
   40    HE2  PHE   5           HE2      PHE   5   7.532  13.950   4.873
   41    HZ   PHE   5           HZ       PHE   5   7.220  11.734   5.947
   42    H    ASN   6           H        ASN   6   0.678  14.374   2.944
   43    HA   ASN   6           HA       ASN   6  -0.895  12.116   2.950
   44    HB2  ASN   6           HB2      ASN   6  -1.722  14.982   2.512
   45    HB3  ASN   6           HB3      ASN   6  -2.840  13.680   2.897
   46   HD21  ASN   6          HD21      ASN   6  -1.623  16.195   4.432
   47   HD22  ASN   6          HD22      ASN   6  -1.269  15.537   5.958
   48    H    LYS   7           H        LYS   7  -0.319  14.267   0.177
   49    HA   LYS   7           HA       LYS   7  -2.402  13.333  -1.467
   50    HB2  LYS   7           HB2      LYS   7   0.327  14.395  -2.251
   51    HB3  LYS   7           HB3      LYS   7  -1.025  14.185  -3.361
   52    HG2  LYS   7           HG2      LYS   7  -1.179  15.902  -0.860
   53    HG3  LYS   7           HG3      LYS   7  -0.750  16.539  -2.446
   54    HD2  LYS   7           HD2      LYS   7  -2.941  15.590  -3.313
   55    HD3  LYS   7           HD3      LYS   7  -3.369  15.230  -1.640
   56    HE2  LYS   7           HE2      LYS   7  -3.143  17.611  -1.052
   57    HE3  LYS   7           HE3      LYS   7  -2.679  17.986  -2.713
   58    HZ1  LYS   7           HZ1      LYS   7  -5.041  18.401  -2.277
   59    HZ2  LYS   7           HZ2      LYS   7  -5.261  16.762  -1.903
   60    HZ3  LYS   7           HZ3      LYS   7  -4.814  17.218  -3.476
   61    H    GLU   8           H        GLU   8   1.048  12.426  -1.865
   62    HA   GLU   8           HA       GLU   8   0.546  10.245  -3.574
   63    HB2  GLU   8           HB2      GLU   8   2.910  10.781  -1.752
   64    HB3  GLU   8           HB3      GLU   8   2.879   9.552  -3.016
   65    HG2  GLU   8           HG2      GLU   8   2.407  11.338  -4.698
   66    HG3  GLU   8           HG3      GLU   8   2.549  12.544  -3.421
   67    H    MET   9           H        MET   9   0.884  10.406  -0.053
   68    HA   MET   9           HA       MET   9   0.936   7.625   0.446
   69    HB2  MET   9           HB2      MET   9   0.052   9.960   2.155
   70    HB3  MET   9           HB3      MET   9   0.132   8.303   2.752
   71    HG2  MET   9           HG2      MET   9   2.599   8.933   1.382
   72    HG3  MET   9           HG3      MET   9   2.264  10.174   2.585
   73    HE1  MET   9           HE1      MET   9   2.888   9.374   5.554
   74    HE2  MET   9           HE2      MET   9   1.399   8.425   5.648
   75    HE3  MET   9           HE3      MET   9   1.456   9.880   4.656
   76    H    ARG  10           H        ARG  10  -1.780   9.929   0.253
   77    HA   ARG  10           HA       ARG  10  -3.831   8.152   1.007
   78    HB2  ARG  10           HB2      ARG  10  -4.115  10.611   0.832
   79    HB3  ARG  10           HB3      ARG  10  -4.018  10.487  -0.923
   80    HG2  ARG  10           HG2      ARG  10  -6.025   9.027  -0.923
   81    HG3  ARG  10           HG3      ARG  10  -6.114   9.155   0.834
   82    HD2  ARG  10           HD2      ARG  10  -6.326  11.644   0.584
   83    HD3  ARG  10           HD3      ARG  10  -6.387  11.423  -1.164
   84    HE   ARG  10           HE       ARG  10  -8.354   9.775  -0.005
   85   HH11  ARG  10          HH11      ARG  10  -7.621  13.149  -0.419
   86   HH12  ARG  10          HH12      ARG  10  -9.280  13.642  -0.396
   87   HH21  ARG  10          HH21      ARG  10 -10.512  10.437   0.023
   88   HH22  ARG  10          HH22      ARG  10 -10.908  12.113  -0.147
   89    H    ASN  11           H        ASN  11  -2.355   8.827  -2.156
   90    HA   ASN  11           HA       ASN  11  -4.148   7.362  -3.756
   91    HB2  ASN  11           HB2      ASN  11  -1.183   7.844  -4.164
   92    HB3  ASN  11           HB3      ASN  11  -2.281   7.233  -5.397
   93   HD21  ASN  11          HD21      ASN  11  -4.529   8.863  -5.100
   94   HD22  ASN  11          HD22      ASN  11  -4.106  10.485  -5.366
   95    H    ALA  12           H        ALA  12  -0.972   6.275  -2.451
   96    HA   ALA  12           HA       ALA  12  -1.396   3.563  -3.284
   97    HB1  ALA  12           HB1      ALA  12   0.545   4.397  -1.128
   98    HB2  ALA  12           HB2      ALA  12   0.857   4.706  -2.836
   99    HB3  ALA  12           HB3      ALA  12   0.674   3.048  -2.262
  100    H    TYR  13           H        TYR  13  -2.156   5.342  -0.349
  101    HA   TYR  13           HA       TYR  13  -2.493   3.242   1.480
  102    HB2  TYR  13           HB2      TYR  13  -2.553   5.551   2.203
  103    HB3  TYR  13           HB3      TYR  13  -3.958   5.884   1.201
  104    HD1  TYR  13           HD1      TYR  13  -6.193   4.988   1.823
  105    HD2  TYR  13           HD2      TYR  13  -2.759   4.406   4.342
  106    HE1  TYR  13           HE1      TYR  13  -7.678   4.350   3.699
  107    HE2  TYR  13           HE2      TYR  13  -4.253   3.773   6.220
  108    HH   TYR  13           HH       TYR  13  -7.074   2.728   6.052
  109    H    TRP  14           H        TRP  14  -5.041   4.838  -0.432
  110    HA   TRP  14           HA       TRP  14  -7.058   2.946   0.194
  111    HB2  TRP  14           HB2      TRP  14  -7.428   5.310  -0.520
  112    HB3  TRP  14           HB3      TRP  14  -6.933   4.847  -2.141
  113    HD1  TRP  14           HD1      TRP  14  -9.668   4.114   0.462
  114    HE1  TRP  14           HE1      TRP  14 -11.765   3.256  -0.767
  115    HE3  TRP  14           HE3      TRP  14  -7.842   3.802  -4.302
  116    HZ2  TRP  14           HZ2      TRP  14 -12.566   2.534  -3.413
  117    HZ3  TRP  14           HZ3      TRP  14  -9.296   3.027  -6.155
  118    HH2  TRP  14           HH2      TRP  14 -11.653   2.394  -5.717
  119    H    GLU  15           H        GLU  15  -4.941   3.320  -2.660
  120    HA   GLU  15           HA       GLU  15  -6.153   1.367  -4.274
  121    HB2  GLU  15           HB2      GLU  15  -4.464   3.053  -5.027
  122    HB3  GLU  15           HB3      GLU  15  -3.213   2.087  -4.246
  123    HG2  GLU  15           HG2      GLU  15  -3.820   0.149  -5.666
  124    HG3  GLU  15           HG3      GLU  15  -5.079   1.104  -6.437
  125    H    ILE  16           H        ILE  16  -3.433   1.017  -1.960
  126    HA   ILE  16           HA       ILE  16  -3.015  -1.755  -2.446
  127    HB   ILE  16           HB       ILE  16  -2.387  -0.029  -0.030
  128   HG12  ILE  16          HG12      ILE  16  -0.544  -1.159  -2.159
  129   HG13  ILE  16          HG13      ILE  16  -1.261   0.443  -2.277
  130   HG21  ILE  16          HG21      ILE  16  -0.732  -1.950   0.454
  131   HG22  ILE  16          HG22      ILE  16  -1.718  -2.921  -0.637
  132   HG23  ILE  16          HG23      ILE  16  -2.426  -2.252   0.832
  133   HD11  ILE  16          HD11      ILE  16  -0.245   0.966  -0.015
  134   HD12  ILE  16          HD12      ILE  16   0.932   0.704  -1.302
  135   HD13  ILE  16          HD13      ILE  16   0.619  -0.568  -0.123
  136    H    ALA  17           H        ALA  17  -4.900  -0.022   0.030
  137    HA   ALA  17           HA       ALA  17  -5.834  -2.235   1.469
  138    HB1  ALA  17           HB1      ALA  17  -7.145   0.453   0.981
  139    HB2  ALA  17           HB2      ALA  17  -6.076   0.025   2.317
  140    HB3  ALA  17           HB3      ALA  17  -7.672  -0.713   2.196
  141    H    LEU  18           H        LEU  18  -6.914  -0.894  -1.587
  142    HA   LEU  18           HA       LEU  18  -9.487  -2.005  -1.736
  143    HB2  LEU  18           HB2      LEU  18  -8.548  -0.291  -3.302
  144    HB3  LEU  18           HB3      LEU  18  -7.573  -1.557  -4.040
  145    HG   LEU  18           HG       LEU  18  -9.715  -2.821  -4.523
  146   HD11  LEU  18          HD11      LEU  18 -11.288  -1.923  -2.990
  147   HD12  LEU  18          HD12      LEU  18 -11.780  -1.265  -4.548
  148   HD13  LEU  18          HD13      LEU  18 -10.881  -0.260  -3.412
  149   HD21  LEU  18          HD21      LEU  18 -10.356  -1.367  -6.428
  150   HD22  LEU  18          HD22      LEU  18  -8.604  -1.476  -6.260
  151   HD23  LEU  18          HD23      LEU  18  -9.456  -0.034  -5.706
  152    H    LEU  19           H        LEU  19  -6.316  -3.440  -2.480
  153    HA   LEU  19           HA       LEU  19  -7.285  -5.769  -3.775
  154    HB2  LEU  19           HB2      LEU  19  -4.719  -4.908  -2.551
  155    HB3  LEU  19           HB3      LEU  19  -4.964  -6.641  -2.689
  156    HG   LEU  19           HG       LEU  19  -5.095  -6.567  -5.043
  157   HD11  LEU  19          HD11      LEU  19  -6.637  -4.838  -5.533
  158   HD12  LEU  19          HD12      LEU  19  -5.125  -4.293  -6.261
  159   HD13  LEU  19          HD13      LEU  19  -5.656  -3.615  -4.721
  160   HD21  LEU  19          HD21      LEU  19  -3.050  -5.501  -5.730
  161   HD22  LEU  19          HD22      LEU  19  -2.816  -6.032  -4.066
  162   HD23  LEU  19          HD23      LEU  19  -3.144  -4.335  -4.410
  163    HA   PRO  20           HA       PRO  20  -8.892  -7.680  -0.010
  164    HB2  PRO  20           HB2      PRO  20 -10.412  -9.558  -1.166
  165    HB3  PRO  20           HB3      PRO  20 -10.819  -7.835  -1.301
  166    HG2  PRO  20           HG2      PRO  20  -9.517  -9.626  -3.296
  167    HG3  PRO  20           HG3      PRO  20 -10.740  -8.370  -3.540
  168    HD2  PRO  20           HD2      PRO  20  -7.995  -8.044  -3.959
  169    HD3  PRO  20           HD3      PRO  20  -9.165  -6.725  -3.738
  170    H    ASN  21           H        ASN  21  -7.347  -9.612  -2.582
  171    HA   ASN  21           HA       ASN  21  -7.131 -12.016  -1.120
  172    HB2  ASN  21           HB2      ASN  21  -5.046 -12.252  -2.848
  173    HB3  ASN  21           HB3      ASN  21  -6.722 -12.590  -3.256
  174   HD21  ASN  21          HD21      ASN  21  -6.918 -11.833  -5.370
  175   HD22  ASN  21          HD22      ASN  21  -6.487 -10.268  -5.868
  176    H    LEU  22           H        LEU  22  -5.290  -9.099  -0.821
  177    HA   LEU  22           HA       LEU  22  -2.848 -10.221   0.104
  178    HB2  LEU  22           HB2      LEU  22  -4.057  -7.602   1.023
  179    HB3  LEU  22           HB3      LEU  22  -2.366  -8.091   1.142
  180    HG   LEU  22           HG       LEU  22  -3.682  -7.993  -1.553
  181   HD11  LEU  22          HD11      LEU  22  -4.184  -5.805  -0.571
  182   HD12  LEU  22          HD12      LEU  22  -2.862  -5.620  -1.725
  183   HD13  LEU  22          HD13      LEU  22  -2.525  -5.651   0.005
  184   HD21  LEU  22          HD21      LEU  22  -1.504  -7.943  -2.336
  185   HD22  LEU  22          HD22      LEU  22  -1.259  -8.850  -0.848
  186   HD23  LEU  22          HD23      LEU  22  -0.887  -7.128  -0.896
  187    H    ASN  23           H        ASN  23  -2.282 -11.123   1.968
  188    HA   ASN  23           HA       ASN  23  -4.162 -12.005   3.867
  189    HB2  ASN  23           HB2      ASN  23  -1.855 -12.945   3.597
  190    HB3  ASN  23           HB3      ASN  23  -1.218 -11.506   4.392
  191   HD21  ASN  23          HD21      ASN  23  -3.258 -14.386   4.922
  192   HD22  ASN  23          HD22      ASN  23  -3.159 -14.339   6.617
  193    H    ASN  24           H        ASN  24  -4.851 -11.216   5.860
  194    HA   ASN  24           HA       ASN  24  -5.293  -8.514   6.197
  195    HB2  ASN  24           HB2      ASN  24  -5.107 -10.666   8.317
  196    HB3  ASN  24           HB3      ASN  24  -5.768  -9.057   8.596
  197   HD21  ASN  24          HD21      ASN  24  -6.712 -12.176   7.852
  198   HD22  ASN  24          HD22      ASN  24  -8.179 -11.832   7.069
  199    H    GLN  25           H        GLN  25  -2.564 -10.413   7.441
  200    HA   GLN  25           HA       GLN  25  -1.444  -8.342   9.046
  201    HB2  GLN  25           HB2      GLN  25  -0.163 -10.777   7.771
  202    HB3  GLN  25           HB3      GLN  25   0.636  -9.731   8.945
  203    HG2  GLN  25           HG2      GLN  25  -1.111 -10.230  10.608
  204    HG3  GLN  25           HG3      GLN  25  -1.950 -11.248   9.441
  205   HE21  GLN  25          HE21      GLN  25  -0.770 -12.076  12.059
  206   HE22  GLN  25          HE22      GLN  25   0.368 -13.280  11.690
  207    H    GLN  26           H        GLN  26  -0.839  -9.410   5.708
  208    HA   GLN  26           HA       GLN  26   1.313  -7.682   5.140
  209    HB2  GLN  26           HB2      GLN  26  -0.732  -8.956   3.311
  210    HB3  GLN  26           HB3      GLN  26   0.699  -8.098   2.742
  211    HG2  GLN  26           HG2      GLN  26   2.152  -9.661   3.964
  212    HG3  GLN  26           HG3      GLN  26   0.741 -10.506   4.595
  213   HE21  GLN  26          HE21      GLN  26  -0.886 -11.009   2.532
  214   HE22  GLN  26          HE22      GLN  26  -0.096 -11.807   1.257
  215    H    LYS  27           H        LYS  27  -2.194  -7.188   4.882
  216    HA   LYS  27           HA       LYS  27  -2.168  -4.801   3.383
  217    HB2  LYS  27           HB2      LYS  27  -4.105  -5.934   5.399
  218    HB3  LYS  27           HB3      LYS  27  -4.364  -4.338   4.698
  219    HG2  LYS  27           HG2      LYS  27  -4.121  -5.454   2.410
  220    HG3  LYS  27           HG3      LYS  27  -4.222  -6.997   3.260
  221    HD2  LYS  27           HD2      LYS  27  -6.322  -5.281   4.229
  222    HD3  LYS  27           HD3      LYS  27  -6.373  -5.279   2.468
  223    HE2  LYS  27           HE2      LYS  27  -6.103  -7.875   3.971
  224    HE3  LYS  27           HE3      LYS  27  -7.687  -7.124   3.773
  225    HZ1  LYS  27           HZ1      LYS  27  -7.668  -8.263   1.846
  226    HZ2  LYS  27           HZ2      LYS  27  -5.976  -8.384   1.797
  227    HZ3  LYS  27           HZ3      LYS  27  -6.740  -6.952   1.285
  228    H    ARG  28           H        ARG  28  -2.606  -5.096   6.905
  229    HA   ARG  28           HA       ARG  28  -2.240  -2.373   7.511
  230    HB2  ARG  28           HB2      ARG  28  -1.748  -4.820   9.228
  231    HB3  ARG  28           HB3      ARG  28  -1.814  -3.164   9.831
  232    HG2  ARG  28           HG2      ARG  28  -4.139  -2.961   8.933
  233    HG3  ARG  28           HG3      ARG  28  -4.069  -4.651   8.432
  234    HD2  ARG  28           HD2      ARG  28  -3.602  -5.266  10.831
  235    HD3  ARG  28           HD3      ARG  28  -3.892  -3.582  11.265
  236    HE   ARG  28           HE       ARG  28  -6.100  -4.502   9.778
  237   HH11  ARG  28          HH11      ARG  28  -4.549  -5.045  12.841
  238   HH12  ARG  28          HH12      ARG  28  -6.011  -5.513  13.641
  239   HH21  ARG  28          HH21      ARG  28  -7.995  -5.116  10.836
  240   HH22  ARG  28          HH22      ARG  28  -7.952  -5.553  12.510
  241    H    ALA  29           H        ALA  29   0.077  -5.015   7.181
  242    HA   ALA  29           HA       ALA  29   2.316  -3.796   8.363
  243    HB1  ALA  29           HB1      ALA  29   2.102  -5.866   6.172
  244    HB2  ALA  29           HB2      ALA  29   2.381  -6.139   7.891
  245    HB3  ALA  29           HB3      ALA  29   3.632  -5.385   6.905
  246    H    PHE  30           H        PHE  30   1.312  -3.821   4.906
  247    HA   PHE  30           HA       PHE  30   3.510  -2.343   3.946
  248    HB2  PHE  30           HB2      PHE  30   0.747  -2.861   2.917
  249    HB3  PHE  30           HB3      PHE  30   1.728  -1.641   2.126
  250    HD1  PHE  30           HD1      PHE  30   2.668  -4.965   3.671
  251    HD2  PHE  30           HD2      PHE  30   2.544  -2.526   0.130
  252    HE1  PHE  30           HE1      PHE  30   3.919  -6.702   2.427
  253    HE2  PHE  30           HE2      PHE  30   3.794  -4.267  -1.101
  254    HZ   PHE  30           HZ       PHE  30   4.488  -6.350   0.037
  255    H    ILE  31           H        ILE  31   0.196  -1.095   4.522
  256    HA   ILE  31           HA       ILE  31   0.788   1.594   4.168
  257    HB   ILE  31           HB       ILE  31  -1.360   0.268   5.836
  258   HG12  ILE  31          HG12      ILE  31  -1.326   1.605   3.094
  259   HG13  ILE  31          HG13      ILE  31  -1.444  -0.125   3.393
  260   HG21  ILE  31          HG21      ILE  31  -1.075   2.478   6.778
  261   HG22  ILE  31          HG22      ILE  31  -2.476   2.543   5.719
  262   HG23  ILE  31          HG23      ILE  31  -0.935   3.203   5.178
  263   HD11  ILE  31          HD11      ILE  31  -3.679   0.011   3.662
  264   HD12  ILE  31          HD12      ILE  31  -3.580   1.686   3.122
  265   HD13  ILE  31          HD13      ILE  31  -3.525   1.306   4.845
  266    H    ARG  32           H        ARG  32   1.086  -0.335   7.161
  267    HA   ARG  32           HA       ARG  32   1.627   1.835   8.907
  268    HB2  ARG  32           HB2      ARG  32   1.108  -0.471   9.681
  269    HB3  ARG  32           HB3      ARG  32   2.677  -1.008   9.086
  270    HG2  ARG  32           HG2      ARG  32   3.801   0.582  10.623
  271    HG3  ARG  32           HG3      ARG  32   2.227   1.114  11.217
  272    HD2  ARG  32           HD2      ARG  32   1.755  -1.233  11.942
  273    HD3  ARG  32           HD3      ARG  32   3.386  -1.681  11.443
  274    HE   ARG  32           HE       ARG  32   3.580   0.506  13.205
  275   HH11  ARG  32          HH11      ARG  32   2.624  -2.837  13.218
  276   HH12  ARG  32          HH12      ARG  32   3.046  -3.081  14.879
  277   HH21  ARG  32          HH21      ARG  32   4.124   0.169  15.368
  278   HH22  ARG  32          HH22      ARG  32   3.891  -1.387  16.090
  279    H    SER  33           H        SER  33   3.820  -0.330   7.113
  280    HA   SER  33           HA       SER  33   6.243   0.958   7.844
  281    HB2  SER  33           HB2      SER  33   5.663  -0.611   5.315
  282    HB3  SER  33           HB3      SER  33   7.248  -0.296   6.016
  283    HG   SER  33           HG       SER  33   5.135  -1.900   7.004
  284    H    LEU  34           H        LEU  34   3.899   1.453   5.294
  285    HA   LEU  34           HA       LEU  34   5.290   3.194   3.588
  286    HB2  LEU  34           HB2      LEU  34   2.949   2.031   3.398
  287    HB3  LEU  34           HB3      LEU  34   2.350   3.485   4.174
  288    HG   LEU  34           HG       LEU  34   4.144   3.758   1.784
  289   HD11  LEU  34          HD11      LEU  34   2.415   3.337   0.240
  290   HD12  LEU  34          HD12      LEU  34   1.156   3.449   1.470
  291   HD13  LEU  34          HD13      LEU  34   2.206   2.030   1.411
  292   HD21  LEU  34          HD21      LEU  34   3.583   5.838   2.800
  293   HD22  LEU  34          HD22      LEU  34   1.914   5.347   3.090
  294   HD23  LEU  34          HD23      LEU  34   2.459   5.705   1.452
  295    H    TYR  35           H        TYR  35   3.336   3.795   6.481
  296    HA   TYR  35           HA       TYR  35   3.414   6.628   6.425
  297    HB2  TYR  35           HB2      TYR  35   1.862   5.252   7.836
  298    HB3  TYR  35           HB3      TYR  35   3.230   4.823   8.859
  299    HD1  TYR  35           HD1      TYR  35   0.996   7.560   7.779
  300    HD2  TYR  35           HD2      TYR  35   4.271   6.472  10.346
  301    HE1  TYR  35           HE1      TYR  35   0.712   9.674   9.041
  302    HE2  TYR  35           HE2      TYR  35   3.979   8.587  11.608
  303    HH   TYR  35           HH       TYR  35   1.611  10.258  11.870
  304    H    ASP  36           H        ASP  36   5.459   4.193   8.013
  305    HA   ASP  36           HA       ASP  36   7.211   6.011   9.307
  306    HB2  ASP  36           HB2      ASP  36   6.972   3.582   9.860
  307    HB3  ASP  36           HB3      ASP  36   7.844   3.199   8.377
  308    H    ASP  37           H        ASP  37   7.260   4.544   6.084
  309    HA   ASP  37           HA       ASP  37   9.417   6.405   5.290
  310    HB2  ASP  37           HB2      ASP  37   9.379   3.422   4.766
  311    HB3  ASP  37           HB3      ASP  37  10.485   4.544   3.991
  312    HA   PRO  38           HA       PRO  38   5.839   6.509   2.269
  313    HB2  PRO  38           HB2      PRO  38   6.282   9.161   1.589
  314    HB3  PRO  38           HB3      PRO  38   5.204   8.626   2.891
  315    HG2  PRO  38           HG2      PRO  38   8.018   9.601   3.049
  316    HG3  PRO  38           HG3      PRO  38   6.638   9.959   4.098
  317    HD2  PRO  38           HD2      PRO  38   8.517   8.203   4.859
  318    HD3  PRO  38           HD3      PRO  38   6.805   7.934   5.249
  319    H    SER  39           H        SER  39   9.220   7.140   2.136
  320    HA   SER  39           HA       SER  39   9.650   7.790  -0.547
  321    HB2  SER  39           HB2      SER  39  11.408   6.085   1.235
  322    HB3  SER  39           HB3      SER  39  11.917   6.938  -0.220
  323    HG   SER  39           HG       SER  39  12.393   8.246   1.502
  324    H    GLN  40           H        GLN  40   9.015   4.654   0.970
  325    HA   GLN  40           HA       GLN  40   9.517   3.218  -1.529
  326    HB2  GLN  40           HB2      GLN  40   8.575   2.181   1.155
  327    HB3  GLN  40           HB3      GLN  40   9.110   1.206  -0.214
  328    HG2  GLN  40           HG2      GLN  40  11.335   2.370  -0.087
  329    HG3  GLN  40           HG3      GLN  40  10.774   3.166   1.379
  330   HE21  GLN  40          HE21      GLN  40  12.715   0.702   0.511
  331   HE22  GLN  40          HE22      GLN  40  12.438  -0.370   1.796
  332    H    SER  41           H        SER  41   6.950   4.981  -0.343
  333    HA   SER  41           HA       SER  41   4.672   3.461  -0.481
  334    HB2  SER  41           HB2      SER  41   4.703   5.889   0.006
  335    HB3  SER  41           HB3      SER  41   4.978   6.216  -1.704
  336    HG   SER  41           HG       SER  41   2.977   4.842  -1.955
  337    H    ALA  42           H        ALA  42   6.577   4.632  -3.224
  338    HA   ALA  42           HA       ALA  42   4.750   3.778  -5.250
  339    HB1  ALA  42           HB1      ALA  42   6.496   5.458  -5.694
  340    HB2  ALA  42           HB2      ALA  42   6.662   4.079  -6.781
  341    HB3  ALA  42           HB3      ALA  42   7.744   4.248  -5.397
  342    H    ASN  43           H        ASN  43   7.660   2.358  -3.780
  343    HA   ASN  43           HA       ASN  43   7.688  -0.038  -5.312
  344    HB2  ASN  43           HB2      ASN  43   8.820   0.496  -2.550
  345    HB3  ASN  43           HB3      ASN  43   9.213  -0.886  -3.566
  346   HD21  ASN  43          HD21      ASN  43  11.275   0.781  -2.729
  347   HD22  ASN  43          HD22      ASN  43  11.860   1.690  -4.039
  348    H    LEU  44           H        LEU  44   6.440   0.706  -2.047
  349    HA   LEU  44           HA       LEU  44   5.558  -1.864  -1.357
  350    HB2  LEU  44           HB2      LEU  44   4.346   0.777  -0.583
  351    HB3  LEU  44           HB3      LEU  44   4.069  -0.737   0.241
  352    HG   LEU  44           HG       LEU  44   6.720   0.758   0.049
  353   HD11  LEU  44          HD11      LEU  44   6.484   0.986   2.471
  354   HD12  LEU  44          HD12      LEU  44   4.963   0.094   2.428
  355   HD13  LEU  44          HD13      LEU  44   5.080   1.677   1.660
  356   HD21  LEU  44          HD21      LEU  44   7.495  -1.038   1.665
  357   HD22  LEU  44          HD22      LEU  44   7.270  -1.576   0.001
  358   HD23  LEU  44          HD23      LEU  44   6.052  -1.955   1.221
  359    H    LEU  45           H        LEU  45   3.913   0.735  -3.144
  360    HA   LEU  45           HA       LEU  45   1.361  -0.472  -3.335
  361    HB2  LEU  45           HB2      LEU  45   1.484   1.816  -3.909
  362    HB3  LEU  45           HB3      LEU  45   2.846   1.562  -4.988
  363    HG   LEU  45           HG       LEU  45   1.363   0.349  -6.573
  364   HD11  LEU  45          HD11      LEU  45  -0.951   1.177  -4.799
  365   HD12  LEU  45          HD12      LEU  45  -0.251  -0.439  -4.755
  366   HD13  LEU  45          HD13      LEU  45  -0.999   0.153  -6.235
  367   HD21  LEU  45          HD21      LEU  45   1.658   2.840  -6.702
  368   HD22  LEU  45          HD22      LEU  45   0.167   3.021  -5.776
  369   HD23  LEU  45          HD23      LEU  45   0.129   2.276  -7.374
  370    H    ALA  46           H        ALA  46   4.148  -0.507  -5.514
  371    HA   ALA  46           HA       ALA  46   3.065  -2.261  -7.475
  372    HB1  ALA  46           HB1      ALA  46   5.972  -1.875  -6.692
  373    HB2  ALA  46           HB2      ALA  46   5.089  -0.871  -7.842
  374    HB3  ALA  46           HB3      ALA  46   5.384  -2.571  -8.204
  375    H    GLU  47           H        GLU  47   5.020  -2.805  -4.585
  376    HA   GLU  47           HA       GLU  47   5.371  -5.595  -4.803
  377    HB2  GLU  47           HB2      GLU  47   5.385  -3.649  -2.484
  378    HB3  GLU  47           HB3      GLU  47   5.624  -5.385  -2.234
  379    HG2  GLU  47           HG2      GLU  47   7.286  -3.713  -4.150
  380    HG3  GLU  47           HG3      GLU  47   7.772  -4.080  -2.498
  381    H    ALA  48           H        ALA  48   2.781  -3.638  -3.384
  382    HA   ALA  48           HA       ALA  48   1.362  -5.745  -2.123
  383    HB1  ALA  48           HB1      ALA  48  -0.549  -4.197  -2.133
  384    HB2  ALA  48           HB2      ALA  48   0.291  -3.150  -3.275
  385    HB3  ALA  48           HB3      ALA  48   0.924  -3.362  -1.644
  386    H    LYS  49           H        LYS  49   1.271  -4.361  -5.373
  387    HA   LYS  49           HA       LYS  49  -0.937  -5.857  -6.342
  388    HB2  LYS  49           HB2      LYS  49   0.469  -3.803  -7.360
  389    HB3  LYS  49           HB3      LYS  49   1.270  -5.123  -8.212
  390    HG2  LYS  49           HG2      LYS  49  -1.154  -5.944  -8.744
  391    HG3  LYS  49           HG3      LYS  49  -1.633  -4.311  -8.296
  392    HD2  LYS  49           HD2      LYS  49   0.396  -3.693  -9.959
  393    HD3  LYS  49           HD3      LYS  49  -0.065  -5.249 -10.655
  394    HE2  LYS  49           HE2      LYS  49  -2.445  -4.421 -10.751
  395    HE3  LYS  49           HE3      LYS  49  -1.860  -2.835 -10.231
  396    HZ1  LYS  49           HZ1      LYS  49  -2.027  -2.931 -12.627
  397    HZ2  LYS  49           HZ2      LYS  49  -1.023  -4.297 -12.681
  398    HZ3  LYS  49           HZ3      LYS  49  -0.396  -2.803 -12.171
  399    H    LYS  50           H        LYS  50   2.539  -6.443  -6.148
  400    HA   LYS  50           HA       LYS  50   2.705  -8.784  -7.707
  401    HB2  LYS  50           HB2      LYS  50   4.616  -7.371  -6.802
  402    HB3  LYS  50           HB3      LYS  50   4.355  -8.156  -5.247
  403    HG2  LYS  50           HG2      LYS  50   4.840 -10.337  -6.184
  404    HG3  LYS  50           HG3      LYS  50   4.884  -9.677  -7.818
  405    HD2  LYS  50           HD2      LYS  50   7.168  -9.861  -7.197
  406    HD3  LYS  50           HD3      LYS  50   6.783  -8.154  -6.976
  407    HE2  LYS  50           HE2      LYS  50   6.344  -8.646  -4.538
  408    HE3  LYS  50           HE3      LYS  50   6.941 -10.282  -4.817
  409    HZ1  LYS  50           HZ1      LYS  50   8.982  -9.115  -5.777
  410    HZ2  LYS  50           HZ2      LYS  50   8.795  -9.116  -4.090
  411    HZ3  LYS  50           HZ3      LYS  50   8.409  -7.722  -4.985
  412    H    LEU  51           H        LEU  51   2.085  -8.276  -4.242
  413    HA   LEU  51           HA       LEU  51   1.912 -11.004  -3.488
  414    HB2  LEU  51           HB2      LEU  51   0.742  -8.469  -2.318
  415    HB3  LEU  51           HB3      LEU  51   0.517 -10.037  -1.547
  416    HG   LEU  51           HG       LEU  51   3.223  -8.811  -2.215
  417   HD11  LEU  51          HD11      LEU  51   2.147  -7.492  -0.480
  418   HD12  LEU  51          HD12      LEU  51   3.384  -8.499   0.270
  419   HD13  LEU  51          HD13      LEU  51   1.685  -8.949   0.398
  420   HD21  LEU  51          HD21      LEU  51   3.865 -10.629  -0.431
  421   HD22  LEU  51          HD22      LEU  51   3.575 -11.134  -2.095
  422   HD23  LEU  51          HD23      LEU  51   2.323 -11.363  -0.873
  423    H    ASN  52           H        ASN  52  -0.520  -8.646  -4.549
  424    HA   ASN  52           HA       ASN  52  -2.812 -10.264  -4.313
  425    HB2  ASN  52           HB2      ASN  52  -3.344  -8.051  -4.658
  426    HB3  ASN  52           HB3      ASN  52  -2.062  -7.801  -5.832
  427   HD21  ASN  52          HD21      ASN  52  -5.425  -8.757  -5.439
  428   HD22  ASN  52          HD22      ASN  52  -5.773  -8.877  -7.099
  429    H    ASP  53           H        ASP  53  -0.642  -9.712  -7.088
  430    HA   ASP  53           HA       ASP  53  -1.972 -11.384  -8.929
  431    HB2  ASP  53           HB2      ASP  53  -0.211  -9.724  -9.499
  432    HB3  ASP  53           HB3      ASP  53   0.995 -10.779  -8.794
  433    H    ALA  54           H        ALA  54   0.518 -12.066  -6.513
  434    HA   ALA  54           HA       ALA  54   0.979 -14.743  -7.382
  435    HB1  ALA  54           HB1      ALA  54   1.615 -13.454  -4.717
  436    HB2  ALA  54           HB2      ALA  54   2.661 -13.437  -6.137
  437    HB3  ALA  54           HB3      ALA  54   2.296 -14.962  -5.330
  438    H    GLN  55           H        GLN  55  -0.772 -13.389  -4.569
  439    HA   GLN  55           HA       GLN  55  -1.682 -15.876  -3.557
  440    HB2  GLN  55           HB2      GLN  55  -2.766 -13.071  -3.145
  441    HB3  GLN  55           HB3      GLN  55  -3.300 -14.490  -2.247
  442    HG2  GLN  55           HG2      GLN  55  -1.239 -14.743  -1.159
  443    HG3  GLN  55           HG3      GLN  55  -0.366 -13.815  -2.380
  444   HE21  GLN  55          HE21      GLN  55  -1.601 -11.453  -2.591
  445   HE22  GLN  55          HE22      GLN  55  -1.736 -10.656  -1.102
  446    H    ALA  56           H        ALA  56  -2.928 -13.790  -6.075
  447    HA   ALA  56           HA       ALA  56  -5.610 -14.482  -6.181
  448    HB1  ALA  56           HB1      ALA  56  -5.302 -14.144  -8.734
  449    HB2  ALA  56           HB2      ALA  56  -3.624 -13.778  -8.332
  450    HB3  ALA  56           HB3      ALA  56  -4.924 -12.794  -7.662
  451    HA   PRO  57           HA       PRO  57  -5.922 -18.760  -7.225
  452    HB2  PRO  57           HB2      PRO  57  -8.023 -18.691  -9.059
  453    HB3  PRO  57           HB3      PRO  57  -8.202 -18.694  -7.296
  454    HG2  PRO  57           HG2      PRO  57  -8.352 -16.431  -9.206
  455    HG3  PRO  57           HG3      PRO  57  -9.260 -16.715  -7.713
  456    HD2  PRO  57           HD2      PRO  57  -7.206 -14.943  -7.861
  457    HD3  PRO  57           HD3      PRO  57  -7.595 -15.828  -6.372
  458    H    LYS  58           H        LYS  58  -5.970 -20.287  -9.097
  459    HA   LYS  58           HA       LYS  58  -5.211 -21.139 -11.082
  460    HB2  LYS  58           HB2      LYS  58  -4.856 -18.282 -12.051
  461    HB3  LYS  58           HB3      LYS  58  -4.884 -19.741 -13.034
  462    HG2  LYS  58           HG2      LYS  58  -7.224 -20.175 -12.287
  463    HG3  LYS  58           HG3      LYS  58  -7.197 -18.655 -11.392
  464    HD2  LYS  58           HD2      LYS  58  -6.605 -17.508 -13.596
  465    HD3  LYS  58           HD3      LYS  58  -6.985 -19.036 -14.392
  466    HE2  LYS  58           HE2      LYS  58  -9.253 -18.942 -13.233
  467    HE3  LYS  58           HE3      LYS  58  -8.848 -17.289 -12.760
  468    HZ1  LYS  58           HZ1      LYS  58 -10.082 -17.228 -14.790
  469    HZ2  LYS  58           HZ2      LYS  58  -9.052 -18.358 -15.525
  470    HZ3  LYS  58           HZ3      LYS  58  -8.474 -16.805 -15.143
  Start of MODEL   17
    1    H    VAL   1           H        VAL   1   6.872  20.322  -2.685
    2    HA   VAL   1           HA       VAL   1   4.851  20.352  -1.368
    3    HB   VAL   1           HB       VAL   1   7.229  19.295   0.212
    4   HG11  VAL   1          HG11      VAL   1   4.379  18.258   0.050
    5   HG12  VAL   1          HG12      VAL   1   4.972  19.289   1.352
    6   HG13  VAL   1          HG13      VAL   1   5.661  17.687   1.114
    7   HG21  VAL   1          HG21      VAL   1   7.411  18.477  -2.066
    8   HG22  VAL   1          HG22      VAL   1   5.688  18.101  -2.122
    9   HG23  VAL   1          HG23      VAL   1   6.763  17.168  -1.080
   10    H    ASP   2           H        ASP   2   3.722  21.726  -0.123
   11    HA   ASP   2           HA       ASP   2   4.979  23.775   1.436
   12    HB2  ASP   2           HB2      ASP   2   2.078  22.894   1.283
   13    HB3  ASP   2           HB3      ASP   2   2.647  24.346   2.105
   14    H    ASN   3           H        ASN   3   2.518  21.455   2.601
   15    HA   ASN   3           HA       ASN   3   3.763  21.467   5.247
   16    HB2  ASN   3           HB2      ASN   3   1.193  20.178   4.282
   17    HB3  ASN   3           HB3      ASN   3   1.733  20.266   5.957
   18   HD21  ASN   3          HD21      ASN   3   2.486  22.821   6.403
   19   HD22  ASN   3          HD22      ASN   3   1.262  23.926   5.996
   20    H    LYS   4           H        LYS   4   2.481  18.925   3.070
   21    HA   LYS   4           HA       LYS   4   4.833  17.309   3.212
   22    HB2  LYS   4           HB2      LYS   4   3.813  17.001   5.532
   23    HB3  LYS   4           HB3      LYS   4   2.450  16.223   4.736
   24    HG2  LYS   4           HG2      LYS   4   3.906  14.449   5.386
   25    HG3  LYS   4           HG3      LYS   4   4.160  14.642   3.655
   26    HD2  LYS   4           HD2      LYS   4   6.202  15.910   4.035
   27    HD3  LYS   4           HD3      LYS   4   5.906  15.946   5.773
   28    HE2  LYS   4           HE2      LYS   4   6.206  13.347   4.250
   29    HE3  LYS   4           HE3      LYS   4   7.590  14.200   4.933
   30    HZ1  LYS   4           HZ1      LYS   4   6.174  12.409   6.284
   31    HZ2  LYS   4           HZ2      LYS   4   5.320  13.812   6.707
   32    HZ3  LYS   4           HZ3      LYS   4   6.984  13.703   7.029
   33    H    PHE   5           H        PHE   5   4.747  15.581   1.744
   34    HA   PHE   5           HA       PHE   5   2.648  15.758  -0.235
   35    HB2  PHE   5           HB2      PHE   5   4.021  14.036  -1.462
   36    HB3  PHE   5           HB3      PHE   5   4.857  15.542  -1.110
   37    HD1  PHE   5           HD1      PHE   5   6.459  15.640   0.865
   38    HD2  PHE   5           HD2      PHE   5   4.827  11.938  -0.597
   39    HE1  PHE   5           HE1      PHE   5   8.241  14.386   2.042
   40    HE2  PHE   5           HE2      PHE   5   6.614  10.690   0.579
   41    HZ   PHE   5           HZ       PHE   5   8.320  11.914   1.898
   42    H    ASN   6           H        ASN   6   1.002  15.102   1.377
   43    HA   ASN   6           HA       ASN   6   0.874  12.252   2.017
   44    HB2  ASN   6           HB2      ASN   6  -1.169  14.425   2.544
   45    HB3  ASN   6           HB3      ASN   6  -1.127  12.820   3.268
   46   HD21  ASN   6          HD21      ASN   6   1.720  12.695   3.818
   47   HD22  ASN   6          HD22      ASN   6   2.064  13.853   5.012
   48    H    LYS   7           H        LYS   7   0.081  14.111  -0.664
   49    HA   LYS   7           HA       LYS   7  -2.457  13.123  -1.413
   50    HB2  LYS   7           HB2      LYS   7  -0.127  14.260  -2.953
   51    HB3  LYS   7           HB3      LYS   7  -1.537  13.628  -3.800
   52    HG2  LYS   7           HG2      LYS   7  -2.007  15.934  -3.520
   53    HG3  LYS   7           HG3      LYS   7  -2.943  15.142  -2.255
   54    HD2  LYS   7           HD2      LYS   7  -1.223  15.677  -0.595
   55    HD3  LYS   7           HD3      LYS   7  -0.190  16.369  -1.847
   56    HE2  LYS   7           HE2      LYS   7  -1.932  18.074  -2.316
   57    HE3  LYS   7           HE3      LYS   7  -2.930  17.391  -1.031
   58    HZ1  LYS   7           HZ1      LYS   7  -1.697  19.261  -0.197
   59    HZ2  LYS   7           HZ2      LYS   7  -0.230  18.590  -0.720
   60    HZ3  LYS   7           HZ3      LYS   7  -1.107  17.842   0.528
   61    H    GLU   8           H        GLU   8   0.808  12.011  -2.320
   62    HA   GLU   8           HA       GLU   8   0.015   9.803  -3.882
   63    HB2  GLU   8           HB2      GLU   8   2.555  10.263  -2.286
   64    HB3  GLU   8           HB3      GLU   8   2.342   8.973  -3.468
   65    HG2  GLU   8           HG2      GLU   8   2.171  11.955  -4.036
   66    HG3  GLU   8           HG3      GLU   8   3.498  10.898  -4.486
   67    H    MET   9           H        MET   9   0.497  10.194  -0.421
   68    HA   MET   9           HA       MET   9   0.502   7.469   0.325
   69    HB2  MET   9           HB2      MET   9  -0.432   9.902   1.878
   70    HB3  MET   9           HB3      MET   9  -0.126   8.311   2.572
   71    HG2  MET   9           HG2      MET   9   2.221   8.427   1.813
   72    HG3  MET   9           HG3      MET   9   1.919  10.020   1.121
   73    HE1  MET   9           HE1      MET   9   4.219  10.683   4.089
   74    HE2  MET   9           HE2      MET   9   3.670  11.536   2.634
   75    HE3  MET   9           HE3      MET   9   4.142   9.837   2.544
   76    H    ARG  10           H        ARG  10  -2.146   9.824  -0.059
   77    HA   ARG  10           HA       ARG  10  -4.232   8.120   0.834
   78    HB2  ARG  10           HB2      ARG  10  -4.266  10.490  -1.056
   79    HB3  ARG  10           HB3      ARG  10  -5.721   9.675  -0.480
   80    HG2  ARG  10           HG2      ARG  10  -5.038  10.150   1.866
   81    HG3  ARG  10           HG3      ARG  10  -3.627  11.016   1.266
   82    HD2  ARG  10           HD2      ARG  10  -5.188  12.535  -0.003
   83    HD3  ARG  10           HD3      ARG  10  -6.536  11.736   0.805
   84    HE   ARG  10           HE       ARG  10  -4.712  12.602   2.772
   85   HH11  ARG  10          HH11      ARG  10  -6.900  13.912   0.409
   86   HH12  ARG  10          HH12      ARG  10  -7.208  15.358   1.311
   87   HH21  ARG  10          HH21      ARG  10  -5.125  14.492   3.933
   88   HH22  ARG  10          HH22      ARG  10  -6.207  15.684   3.296
   89    H    ASN  11           H        ASN  11  -2.742   8.647  -2.336
   90    HA   ASN  11           HA       ASN  11  -4.580   7.114  -3.858
   91    HB2  ASN  11           HB2      ASN  11  -1.645   7.684  -4.362
   92    HB3  ASN  11           HB3      ASN  11  -2.750   6.987  -5.543
   93   HD21  ASN  11          HD21      ASN  11  -5.032   8.516  -5.350
   94   HD22  ASN  11          HD22      ASN  11  -4.688  10.153  -5.639
   95    H    ALA  12           H        ALA  12  -1.367   6.199  -2.537
   96    HA   ALA  12           HA       ALA  12  -1.590   3.465  -3.293
   97    HB1  ALA  12           HB1      ALA  12   0.371   3.078  -1.927
   98    HB2  ALA  12           HB2      ALA  12   0.136   4.613  -1.084
   99    HB3  ALA  12           HB3      ALA  12   0.576   4.600  -2.793
  100    H    TYR  13           H        TYR  13  -2.611   5.251  -0.433
  101    HA   TYR  13           HA       TYR  13  -3.022   3.157   1.393
  102    HB2  TYR  13           HB2      TYR  13  -3.195   5.556   1.963
  103    HB3  TYR  13           HB3      TYR  13  -4.653   5.693   0.993
  104    HD1  TYR  13           HD1      TYR  13  -6.732   4.414   1.695
  105    HD2  TYR  13           HD2      TYR  13  -3.254   4.716   4.207
  106    HE1  TYR  13           HE1      TYR  13  -8.087   3.734   3.655
  107    HE2  TYR  13           HE2      TYR  13  -4.616   4.036   6.165
  108    HH   TYR  13           HH       TYR  13  -7.578   4.256   6.508
  109    H    TRP  14           H        TRP  14  -5.388   4.634  -0.820
  110    HA   TRP  14           HA       TRP  14  -7.446   2.725  -0.350
  111    HB2  TRP  14           HB2      TRP  14  -7.779   5.052  -1.196
  112    HB3  TRP  14           HB3      TRP  14  -7.072   4.550  -2.726
  113    HD1  TRP  14           HD1      TRP  14  -8.584   3.240  -4.392
  114    HE1  TRP  14           HE1      TRP  14 -11.055   2.503  -4.369
  115    HE3  TRP  14           HE3      TRP  14  -9.757   4.224   0.483
  116    HZ2  TRP  14           HZ2      TRP  14 -13.240   2.352  -2.531
  117    HZ3  TRP  14           HZ3      TRP  14 -12.039   3.775   1.341
  118    HH2  TRP  14           HH2      TRP  14 -13.780   2.841  -0.158
  119    H    GLU  15           H        GLU  15  -5.049   3.090  -2.981
  120    HA   GLU  15           HA       GLU  15  -5.989   1.008  -4.619
  121    HB2  GLU  15           HB2      GLU  15  -3.250   2.237  -4.302
  122    HB3  GLU  15           HB3      GLU  15  -3.597   0.991  -5.503
  123    HG2  GLU  15           HG2      GLU  15  -5.354   2.392  -6.491
  124    HG3  GLU  15           HG3      GLU  15  -5.084   3.631  -5.271
  125    H    ILE  16           H        ILE  16  -3.616   0.904  -1.945
  126    HA   ILE  16           HA       ILE  16  -2.912  -1.834  -2.310
  127    HB   ILE  16           HB       ILE  16  -2.772  -0.004   0.106
  128   HG12  ILE  16          HG12      ILE  16  -0.532  -1.180  -1.566
  129   HG13  ILE  16          HG13      ILE  16  -1.287   0.357  -1.963
  130   HG21  ILE  16          HG21      ILE  16  -1.188  -1.819   1.001
  131   HG22  ILE  16          HG22      ILE  16  -1.895  -2.891  -0.206
  132   HG23  ILE  16          HG23      ILE  16  -2.909  -2.194   1.058
  133   HD11  ILE  16          HD11      ILE  16  -0.642   1.290   0.193
  134   HD12  ILE  16          HD12      ILE  16   0.788   0.605  -0.579
  135   HD13  ILE  16          HD13      ILE  16  -0.019  -0.273   0.721
  136    H    ALA  17           H        ALA  17  -5.232  -0.229  -0.135
  137    HA   ALA  17           HA       ALA  17  -6.243  -2.514   1.129
  138    HB1  ALA  17           HB1      ALA  17  -8.191  -1.123   1.685
  139    HB2  ALA  17           HB2      ALA  17  -7.701   0.060   0.470
  140    HB3  ALA  17           HB3      ALA  17  -6.693  -0.214   1.891
  141    H    LEU  18           H        LEU  18  -6.824  -1.256  -2.069
  142    HA   LEU  18           HA       LEU  18  -9.329  -2.341  -2.661
  143    HB2  LEU  18           HB2      LEU  18  -8.035  -0.730  -4.091
  144    HB3  LEU  18           HB3      LEU  18  -7.019  -2.075  -4.595
  145    HG   LEU  18           HG       LEU  18  -9.119  -3.263  -5.380
  146   HD11  LEU  18          HD11      LEU  18 -11.044  -1.603  -5.858
  147   HD12  LEU  18          HD12      LEU  18 -10.296  -0.577  -4.634
  148   HD13  LEU  18          HD13      LEU  18 -10.877  -2.186  -4.204
  149   HD21  LEU  18          HD21      LEU  18  -8.476  -0.574  -6.641
  150   HD22  LEU  18          HD22      LEU  18  -9.318  -1.900  -7.443
  151   HD23  LEU  18          HD23      LEU  18  -7.635  -2.092  -6.957
  152    H    LEU  19           H        LEU  19  -6.116  -3.916  -2.762
  153    HA   LEU  19           HA       LEU  19  -7.057  -6.291  -4.065
  154    HB2  LEU  19           HB2      LEU  19  -4.634  -5.894  -2.299
  155    HB3  LEU  19           HB3      LEU  19  -4.933  -7.313  -3.283
  156    HG   LEU  19           HG       LEU  19  -3.455  -6.069  -4.610
  157   HD11  LEU  19          HD11      LEU  19  -4.588  -5.441  -6.551
  158   HD12  LEU  19          HD12      LEU  19  -5.972  -4.803  -5.659
  159   HD13  LEU  19          HD13      LEU  19  -5.724  -6.544  -5.775
  160   HD21  LEU  19          HD21      LEU  19  -4.945  -3.508  -4.077
  161   HD22  LEU  19          HD22      LEU  19  -3.352  -3.709  -4.797
  162   HD23  LEU  19          HD23      LEU  19  -3.592  -4.057  -3.088
  163    HA   PRO  20           HA       PRO  20  -8.980  -7.836  -0.265
  164    HB2  PRO  20           HB2      PRO  20 -10.609  -9.637  -1.356
  165    HB3  PRO  20           HB3      PRO  20 -10.841  -7.903  -1.668
  166    HG2  PRO  20           HG2      PRO  20  -9.585  -9.981  -3.403
  167    HG3  PRO  20           HG3      PRO  20 -10.695  -8.673  -3.842
  168    HD2  PRO  20           HD2      PRO  20  -7.912  -8.570  -4.111
  169    HD3  PRO  20           HD3      PRO  20  -8.993  -7.159  -4.085
  170    H    ASN  21           H        ASN  21  -7.100  -9.819  -2.488
  171    HA   ASN  21           HA       ASN  21  -7.264 -12.193  -0.825
  172    HB2  ASN  21           HB2      ASN  21  -5.808 -13.194  -2.562
  173    HB3  ASN  21           HB3      ASN  21  -7.269 -12.466  -3.220
  174   HD21  ASN  21          HD21      ASN  21  -5.611 -12.624  -5.190
  175   HD22  ASN  21          HD22      ASN  21  -4.700 -11.213  -5.463
  176    H    LEU  22           H        LEU  22  -5.387  -9.428  -0.523
  177    HA   LEU  22           HA       LEU  22  -2.862 -10.659   0.091
  178    HB2  LEU  22           HB2      LEU  22  -3.946  -7.976   0.985
  179    HB3  LEU  22           HB3      LEU  22  -2.289  -8.531   1.215
  180    HG   LEU  22           HG       LEU  22  -3.515  -8.400  -1.537
  181   HD11  LEU  22          HD11      LEU  22  -3.688  -6.154  -0.435
  182   HD12  LEU  22          HD12      LEU  22  -2.540  -6.159  -1.773
  183   HD13  LEU  22          HD13      LEU  22  -1.956  -6.211  -0.111
  184   HD21  LEU  22          HD21      LEU  22  -1.037  -9.292  -0.458
  185   HD22  LEU  22          HD22      LEU  22  -0.699  -7.771  -1.281
  186   HD23  LEU  22          HD23      LEU  22  -1.456  -9.098  -2.158
  187    H    ASN  23           H        ASN  23  -2.143 -11.526   1.949
  188    HA   ASN  23           HA       ASN  23  -3.862 -12.507   3.917
  189    HB2  ASN  23           HB2      ASN  23  -1.501 -13.262   3.578
  190    HB3  ASN  23           HB3      ASN  23  -0.950 -11.774   4.345
  191   HD21  ASN  23          HD21      ASN  23  -2.747 -14.799   4.965
  192   HD22  ASN  23          HD22      ASN  23  -2.575 -14.740   6.654
  193    H    ASN  24           H        ASN  24  -4.539 -11.812   5.940
  194    HA   ASN  24           HA       ASN  24  -5.253  -9.193   6.349
  195    HB2  ASN  24           HB2      ASN  24  -4.655 -11.279   8.463
  196    HB3  ASN  24           HB3      ASN  24  -5.552  -9.788   8.745
  197   HD21  ASN  24          HD21      ASN  24  -7.351  -9.562   6.752
  198   HD22  ASN  24          HD22      ASN  24  -8.319 -10.950   6.602
  199    H    GLN  25           H        GLN  25  -2.247 -10.749   7.446
  200    HA   GLN  25           HA       GLN  25  -1.309  -8.524   8.972
  201    HB2  GLN  25           HB2      GLN  25   0.176 -10.845   7.709
  202    HB3  GLN  25           HB3      GLN  25   0.908  -9.680   8.814
  203    HG2  GLN  25           HG2      GLN  25  -0.699 -10.305  10.570
  204    HG3  GLN  25           HG3      GLN  25  -1.480 -11.439   9.472
  205   HE21  GLN  25          HE21      GLN  25  -0.125 -12.078  12.046
  206   HE22  GLN  25          HE22      GLN  25   1.122 -13.164  11.661
  207    H    GLN  26           H        GLN  26  -0.697  -9.623   5.653
  208    HA   GLN  26           HA       GLN  26   1.233  -7.695   4.956
  209    HB2  GLN  26           HB2      GLN  26  -0.722  -9.240   3.238
  210    HB3  GLN  26           HB3      GLN  26   0.612  -8.277   2.600
  211    HG2  GLN  26           HG2      GLN  26   2.235  -9.649   3.826
  212    HG3  GLN  26           HG3      GLN  26   0.931 -10.580   4.558
  213   HE21  GLN  26          HE21      GLN  26  -0.744 -11.175   2.454
  214   HE22  GLN  26          HE22      GLN  26   0.086 -12.042   1.251
  215    H    LYS  27           H        LYS  27  -2.309  -7.593   4.794
  216    HA   LYS  27           HA       LYS  27  -2.638  -5.320   3.182
  217    HB2  LYS  27           HB2      LYS  27  -4.329  -6.321   5.493
  218    HB3  LYS  27           HB3      LYS  27  -4.835  -5.058   4.370
  219    HG2  LYS  27           HG2      LYS  27  -4.667  -6.595   2.491
  220    HG3  LYS  27           HG3      LYS  27  -4.044  -7.863   3.540
  221    HD2  LYS  27           HD2      LYS  27  -6.152  -8.503   4.031
  222    HD3  LYS  27           HD3      LYS  27  -6.480  -6.911   4.708
  223    HE2  LYS  27           HE2      LYS  27  -8.094  -7.227   2.977
  224    HE3  LYS  27           HE3      LYS  27  -6.887  -6.121   2.316
  225    HZ1  LYS  27           HZ1      LYS  27  -6.707  -7.568   0.647
  226    HZ2  LYS  27           HZ2      LYS  27  -7.588  -8.766   1.469
  227    HZ3  LYS  27           HZ3      LYS  27  -5.916  -8.611   1.738
  228    H    ARG  28           H        ARG  28  -2.636  -5.473   6.745
  229    HA   ARG  28           HA       ARG  28  -2.588  -2.651   7.123
  230    HB2  ARG  28           HB2      ARG  28  -3.421  -4.307   8.798
  231    HB3  ARG  28           HB3      ARG  28  -1.758  -4.827   9.063
  232    HG2  ARG  28           HG2      ARG  28  -1.158  -2.505   9.741
  233    HG3  ARG  28           HG3      ARG  28  -2.839  -2.022   9.521
  234    HD2  ARG  28           HD2      ARG  28  -1.884  -4.166  11.446
  235    HD3  ARG  28           HD3      ARG  28  -2.299  -2.514  11.899
  236    HE   ARG  28           HE       ARG  28  -4.492  -3.617  10.520
  237   HH11  ARG  28          HH11      ARG  28  -2.743  -4.037  13.495
  238   HH12  ARG  28          HH12      ARG  28  -4.115  -4.637  14.363
  239   HH21  ARG  28          HH21      ARG  28  -6.269  -4.402  11.667
  240   HH22  ARG  28          HH22      ARG  28  -6.101  -4.843  13.333
  241    H    ALA  29           H        ALA  29  -0.092  -5.125   6.890
  242    HA   ALA  29           HA       ALA  29   2.095  -3.795   7.954
  243    HB1  ALA  29           HB1      ALA  29   2.226  -6.127   7.389
  244    HB2  ALA  29           HB2      ALA  29   3.466  -5.272   6.473
  245    HB3  ALA  29           HB3      ALA  29   1.976  -5.777   5.679
  246    H    PHE  30           H        PHE  30   1.141  -3.794   4.455
  247    HA   PHE  30           HA       PHE  30   3.258  -2.137   3.630
  248    HB2  PHE  30           HB2      PHE  30   0.525  -2.613   2.448
  249    HB3  PHE  30           HB3      PHE  30   1.695  -1.542   1.687
  250    HD1  PHE  30           HD1      PHE  30   4.167  -2.556   1.563
  251    HD2  PHE  30           HD2      PHE  30   0.564  -4.879   1.762
  252    HE1  PHE  30           HE1      PHE  30   5.364  -4.475   0.568
  253    HE2  PHE  30           HE2      PHE  30   1.763  -6.808   0.768
  254    HZ   PHE  30           HZ       PHE  30   4.168  -6.602   0.169
  255    H    ILE  31           H        ILE  31  -0.133  -1.081   4.122
  256    HA   ILE  31           HA       ILE  31   0.337   1.645   3.842
  257    HB   ILE  31           HB       ILE  31  -1.804   0.231   5.463
  258   HG12  ILE  31          HG12      ILE  31  -1.693   1.321   2.617
  259   HG13  ILE  31          HG13      ILE  31  -1.845  -0.369   3.087
  260   HG21  ILE  31          HG21      ILE  31  -1.688   3.114   4.493
  261   HG22  ILE  31          HG22      ILE  31  -1.541   2.600   6.174
  262   HG23  ILE  31          HG23      ILE  31  -3.053   2.355   5.310
  263   HD11  ILE  31          HD11      ILE  31  -4.054   0.195   2.561
  264   HD12  ILE  31          HD12      ILE  31  -3.906   1.822   3.222
  265   HD13  ILE  31          HD13      ILE  31  -4.029   0.435   4.308
  266    H    ARG  32           H        ARG  32   0.525  -0.331   6.828
  267    HA   ARG  32           HA       ARG  32   0.950   1.844   8.608
  268    HB2  ARG  32           HB2      ARG  32   0.367  -0.465   9.342
  269    HB3  ARG  32           HB3      ARG  32   1.982  -0.998   8.874
  270    HG2  ARG  32           HG2      ARG  32   2.972   0.618  10.481
  271    HG3  ARG  32           HG3      ARG  32   1.352   1.130  10.954
  272    HD2  ARG  32           HD2      ARG  32   0.861  -1.233  11.634
  273    HD3  ARG  32           HD3      ARG  32   2.538  -1.645  11.289
  274    HE   ARG  32           HE       ARG  32   1.551  -0.239  13.604
  275   HH11  ARG  32          HH11      ARG  32   4.280  -0.653  11.492
  276   HH12  ARG  32          HH12      ARG  32   5.435  -0.158  12.682
  277   HH21  ARG  32          HH21      ARG  32   3.069   0.403  15.142
  278   HH22  ARG  32          HH22      ARG  32   4.752   0.437  14.737
  279    H    SER  33           H        SER  33   3.240  -0.320   6.937
  280    HA   SER  33           HA       SER  33   5.624   0.884   7.861
  281    HB2  SER  33           HB2      SER  33   5.112  -0.591   5.263
  282    HB3  SER  33           HB3      SER  33   6.700  -0.220   5.931
  283    HG   SER  33           HG       SER  33   4.684  -1.936   6.929
  284    H    LEU  34           H        LEU  34   3.385   1.685   5.314
  285    HA   LEU  34           HA       LEU  34   4.925   3.424   3.738
  286    HB2  LEU  34           HB2      LEU  34   2.414   2.479   3.589
  287    HB3  LEU  34           HB3      LEU  34   2.050   4.062   4.252
  288    HG   LEU  34           HG       LEU  34   3.947   3.980   1.948
  289   HD11  LEU  34          HD11      LEU  34   2.015   2.335   1.474
  290   HD12  LEU  34          HD12      LEU  34   2.268   3.631   0.299
  291   HD13  LEU  34          HD13      LEU  34   0.965   3.757   1.482
  292   HD21  LEU  34          HD21      LEU  34   3.421   6.154   2.827
  293   HD22  LEU  34          HD22      LEU  34   1.696   5.781   2.904
  294   HD23  LEU  34          HD23      LEU  34   2.482   6.003   1.343
  295    H    TYR  35           H        TYR  35   2.960   4.009   6.629
  296    HA   TYR  35           HA       TYR  35   3.368   6.823   6.755
  297    HB2  TYR  35           HB2      TYR  35   1.542   5.598   7.952
  298    HB3  TYR  35           HB3      TYR  35   2.753   4.913   9.034
  299    HD1  TYR  35           HD1      TYR  35   1.109   8.057   7.939
  300    HD2  TYR  35           HD2      TYR  35   3.790   6.249  10.775
  301    HE1  TYR  35           HE1      TYR  35   1.026  10.109   9.329
  302    HE2  TYR  35           HE2      TYR  35   3.703   8.304  12.162
  303    HH   TYR  35           HH       TYR  35   1.581  10.391  12.223
  304    H    ASP  36           H        ASP  36   5.029   4.034   8.204
  305    HA   ASP  36           HA       ASP  36   6.839   5.518   9.814
  306    HB2  ASP  36           HB2      ASP  36   6.285   3.063  10.037
  307    HB3  ASP  36           HB3      ASP  36   7.330   2.771   8.648
  308    H    ASP  37           H        ASP  37   7.153   4.198   6.510
  309    HA   ASP  37           HA       ASP  37   9.465   5.992   6.059
  310    HB2  ASP  37           HB2      ASP  37   9.378   3.134   5.061
  311    HB3  ASP  37           HB3      ASP  37  10.717   4.271   4.949
  312    HA   PRO  38           HA       PRO  38   6.111   6.373   2.814
  313    HB2  PRO  38           HB2      PRO  38   6.449   9.110   2.529
  314    HB3  PRO  38           HB3      PRO  38   5.299   8.336   3.634
  315    HG2  PRO  38           HG2      PRO  38   7.994   9.465   4.198
  316    HG3  PRO  38           HG3      PRO  38   6.509   9.546   5.163
  317    HD2  PRO  38           HD2      PRO  38   8.510   7.833   5.777
  318    HD3  PRO  38           HD3      PRO  38   6.805   7.414   6.048
  319    H    SER  39           H        SER  39   9.468   6.928   2.960
  320    HA   SER  39           HA       SER  39  10.002   8.030   0.425
  321    HB2  SER  39           HB2      SER  39  12.276   7.192   0.745
  322    HB3  SER  39           HB3      SER  39  11.668   7.882   2.246
  323    HG   SER  39           HG       SER  39  12.603   5.885   2.676
  324    H    GLN  40           H        GLN  40   9.087   4.770   1.338
  325    HA   GLN  40           HA       GLN  40   9.686   3.861  -1.428
  326    HB2  GLN  40           HB2      GLN  40   9.722   1.580  -0.526
  327    HB3  GLN  40           HB3      GLN  40  10.893   2.606   0.291
  328    HG2  GLN  40           HG2      GLN  40   8.467   2.857   1.746
  329    HG3  GLN  40           HG3      GLN  40   8.677   1.143   1.421
  330   HE21  GLN  40          HE21      GLN  40  10.925   3.852   2.283
  331   HE22  GLN  40          HE22      GLN  40  11.701   2.987   3.524
  332    H    SER  41           H        SER  41   7.195   5.246  -0.140
  333    HA   SER  41           HA       SER  41   4.998   3.582   0.009
  334    HB2  SER  41           HB2      SER  41   5.059   6.292  -1.340
  335    HB3  SER  41           HB3      SER  41   3.633   5.483  -0.695
  336    HG   SER  41           HG       SER  41   5.719   6.773   0.603
  337    H    ALA  42           H        ALA  42   6.625   4.753  -2.901
  338    HA   ALA  42           HA       ALA  42   4.710   3.849  -4.795
  339    HB1  ALA  42           HB1      ALA  42   7.709   4.175  -5.107
  340    HB2  ALA  42           HB2      ALA  42   6.506   5.440  -5.359
  341    HB3  ALA  42           HB3      ALA  42   6.545   4.036  -6.425
  342    H    ASN  43           H        ASN  43   7.624   2.335  -3.434
  343    HA   ASN  43           HA       ASN  43   7.527  -0.064  -4.935
  344    HB2  ASN  43           HB2      ASN  43   8.662   0.361  -2.157
  345    HB3  ASN  43           HB3      ASN  43   9.043  -0.970  -3.240
  346   HD21  ASN  43          HD21      ASN  43  11.048   0.777  -2.225
  347   HD22  ASN  43          HD22      ASN  43  11.684   1.684  -3.514
  348    H    LEU  44           H        LEU  44   6.320   0.725  -1.670
  349    HA   LEU  44           HA       LEU  44   5.364  -1.798  -0.939
  350    HB2  LEU  44           HB2      LEU  44   4.147   0.863  -0.251
  351    HB3  LEU  44           HB3      LEU  44   3.941  -0.620   0.650
  352    HG   LEU  44           HG       LEU  44   6.573   0.842   0.239
  353   HD11  LEU  44          HD11      LEU  44   5.016   0.487   2.802
  354   HD12  LEU  44          HD12      LEU  44   4.912   1.931   1.796
  355   HD13  LEU  44          HD13      LEU  44   6.448   1.485   2.539
  356   HD21  LEU  44          HD21      LEU  44   5.943  -1.603   1.916
  357   HD22  LEU  44          HD22      LEU  44   7.484  -0.753   1.886
  358   HD23  LEU  44          HD23      LEU  44   6.913  -1.588   0.446
  359    H    LEU  45           H        LEU  45   3.745   0.791  -2.752
  360    HA   LEU  45           HA       LEU  45   1.177  -0.376  -2.933
  361    HB2  LEU  45           HB2      LEU  45   1.417   1.920  -3.510
  362    HB3  LEU  45           HB3      LEU  45   2.699   1.571  -4.655
  363    HG   LEU  45           HG       LEU  45   1.069   0.407  -6.129
  364   HD11  LEU  45          HD11      LEU  45  -0.942   1.268  -4.025
  365   HD12  LEU  45          HD12      LEU  45  -0.517  -0.390  -4.450
  366   HD13  LEU  45          HD13      LEU  45  -1.361   0.627  -5.612
  367   HD21  LEU  45          HD21      LEU  45   0.176   3.189  -5.298
  368   HD22  LEU  45          HD22      LEU  45  -0.196   2.403  -6.833
  369   HD23  LEU  45          HD23      LEU  45   1.471   2.824  -6.440
  370    H    ALA  46           H        ALA  46   3.943  -0.463  -5.148
  371    HA   ALA  46           HA       ALA  46   2.815  -2.221  -7.083
  372    HB1  ALA  46           HB1      ALA  46   5.119  -2.557  -7.832
  373    HB2  ALA  46           HB2      ALA  46   5.736  -1.886  -6.322
  374    HB3  ALA  46           HB3      ALA  46   4.863  -0.854  -7.455
  375    H    GLU  47           H        GLU  47   4.780  -2.765  -4.197
  376    HA   GLU  47           HA       GLU  47   5.140  -5.546  -4.394
  377    HB2  GLU  47           HB2      GLU  47   5.094  -3.611  -2.074
  378    HB3  GLU  47           HB3      GLU  47   5.335  -5.347  -1.827
  379    HG2  GLU  47           HG2      GLU  47   7.034  -3.648  -3.685
  380    HG3  GLU  47           HG3      GLU  47   7.486  -4.042  -2.032
  381    H    ALA  48           H        ALA  48   2.498  -3.624  -3.028
  382    HA   ALA  48           HA       ALA  48   1.080  -5.749  -1.792
  383    HB1  ALA  48           HB1      ALA  48  -0.859  -4.208  -1.887
  384    HB2  ALA  48           HB2      ALA  48   0.047  -3.144  -2.964
  385    HB3  ALA  48           HB3      ALA  48   0.591  -3.390  -1.305
  386    H    LYS  49           H        LYS  49   0.819  -4.226  -4.993
  387    HA   LYS  49           HA       LYS  49  -1.239  -5.835  -6.026
  388    HB2  LYS  49           HB2      LYS  49  -0.418  -3.645  -6.913
  389    HB3  LYS  49           HB3      LYS  49   1.027  -4.473  -7.492
  390    HG2  LYS  49           HG2      LYS  49  -0.261  -5.842  -8.988
  391    HG3  LYS  49           HG3      LYS  49  -1.773  -5.313  -8.268
  392    HD2  LYS  49           HD2      LYS  49  -1.404  -4.107 -10.346
  393    HD3  LYS  49           HD3      LYS  49  -1.308  -2.989  -9.008
  394    HE2  LYS  49           HE2      LYS  49   0.492  -2.675 -10.748
  395    HE3  LYS  49           HE3      LYS  49   1.111  -2.959  -9.122
  396    HZ1  LYS  49           HZ1      LYS  49   0.697  -5.191 -11.018
  397    HZ2  LYS  49           HZ2      LYS  49   1.696  -5.136  -9.649
  398    HZ3  LYS  49           HZ3      LYS  49   2.127  -4.273 -11.047
  399    H    LYS  50           H        LYS  50   2.292  -6.186  -5.941
  400    HA   LYS  50           HA       LYS  50   2.544  -8.384  -7.691
  401    HB2  LYS  50           HB2      LYS  50   4.221  -7.338  -5.413
  402    HB3  LYS  50           HB3      LYS  50   4.646  -8.847  -6.229
  403    HG2  LYS  50           HG2      LYS  50   4.794  -7.732  -8.375
  404    HG3  LYS  50           HG3      LYS  50   4.144  -6.241  -7.703
  405    HD2  LYS  50           HD2      LYS  50   6.522  -5.951  -7.872
  406    HD3  LYS  50           HD3      LYS  50   6.152  -6.167  -6.166
  407    HE2  LYS  50           HE2      LYS  50   6.799  -8.542  -6.310
  408    HE3  LYS  50           HE3      LYS  50   7.133  -8.352  -8.032
  409    HZ1  LYS  50           HZ1      LYS  50   8.880  -6.838  -7.558
  410    HZ2  LYS  50           HZ2      LYS  50   9.117  -8.190  -6.560
  411    HZ3  LYS  50           HZ3      LYS  50   8.465  -6.758  -5.910
  412    H    LEU  51           H        LEU  51   2.036  -8.251  -4.164
  413    HA   LEU  51           HA       LEU  51   2.022 -11.070  -3.767
  414    HB2  LEU  51           HB2      LEU  51   1.160  -8.683  -2.185
  415    HB3  LEU  51           HB3      LEU  51   0.553 -10.259  -1.675
  416    HG   LEU  51           HG       LEU  51   3.496  -9.844  -2.250
  417   HD11  LEU  51          HD11      LEU  51   2.961  -8.136  -0.627
  418   HD12  LEU  51          HD12      LEU  51   3.772  -9.455   0.215
  419   HD13  LEU  51          HD13      LEU  51   2.021  -9.273   0.338
  420   HD21  LEU  51          HD21      LEU  51   3.628 -11.696  -0.512
  421   HD22  LEU  51          HD22      LEU  51   2.822 -12.153  -2.012
  422   HD23  LEU  51          HD23      LEU  51   1.868 -11.788  -0.575
  423    H    ASN  52           H        ASN  52  -0.501  -8.700  -4.508
  424    HA   ASN  52           HA       ASN  52  -2.753 -10.370  -4.252
  425    HB2  ASN  52           HB2      ASN  52  -3.143  -8.056  -4.441
  426    HB3  ASN  52           HB3      ASN  52  -2.187  -7.915  -5.906
  427   HD21  ASN  52          HD21      ASN  52  -5.292  -9.168  -4.647
  428   HD22  ASN  52          HD22      ASN  52  -6.067  -9.204  -6.160
  429    H    ASP  53           H        ASP  53  -0.751  -9.591  -7.083
  430    HA   ASP  53           HA       ASP  53  -2.109 -11.201  -8.956
  431    HB2  ASP  53           HB2      ASP  53  -0.470  -9.424  -9.510
  432    HB3  ASP  53           HB3      ASP  53   0.825 -10.447  -8.928
  433    H    ALA  54           H        ALA  54   0.566 -11.927  -6.746
  434    HA   ALA  54           HA       ALA  54   1.060 -14.520  -7.833
  435    HB1  ALA  54           HB1      ALA  54   2.794 -13.252  -6.642
  436    HB2  ALA  54           HB2      ALA  54   2.529 -14.823  -5.888
  437    HB3  ALA  54           HB3      ALA  54   1.861 -13.366  -5.150
  438    H    GLN  55           H        GLN  55  -0.504 -13.443  -4.795
  439    HA   GLN  55           HA       GLN  55  -1.230 -16.036  -3.901
  440    HB2  GLN  55           HB2      GLN  55  -2.418 -13.329  -3.208
  441    HB3  GLN  55           HB3      GLN  55  -2.786 -14.833  -2.369
  442    HG2  GLN  55           HG2      GLN  55  -0.586 -15.044  -1.527
  443    HG3  GLN  55           HG3      GLN  55   0.066 -13.883  -2.683
  444   HE21  GLN  55          HE21      GLN  55  -1.471 -11.680  -2.482
  445   HE22  GLN  55          HE22      GLN  55  -1.533 -11.087  -0.895
  446    H    ALA  56           H        ALA  56  -2.754 -13.811  -6.124
  447    HA   ALA  56           HA       ALA  56  -5.398 -14.678  -6.057
  448    HB1  ALA  56           HB1      ALA  56  -4.956 -12.755  -7.339
  449    HB2  ALA  56           HB2      ALA  56  -5.387 -13.977  -8.535
  450    HB3  ALA  56           HB3      ALA  56  -3.694 -13.559  -8.274
  451    HA   PRO  57           HA       PRO  57  -5.217 -18.803  -7.708
  452    HB2  PRO  57           HB2      PRO  57  -7.807 -19.111  -8.511
  453    HB3  PRO  57           HB3      PRO  57  -7.325 -19.081  -6.804
  454    HG2  PRO  57           HG2      PRO  57  -8.524 -16.921  -8.467
  455    HG3  PRO  57           HG3      PRO  57  -8.853 -17.365  -6.783
  456    HD2  PRO  57           HD2      PRO  57  -7.251 -15.254  -7.505
  457    HD3  PRO  57           HD3      PRO  57  -7.078 -16.138  -5.974
  458    H    LYS  58           H        LYS  58  -5.122 -19.948  -9.669
  459    HA   LYS  58           HA       LYS  58  -5.588 -18.455 -12.163
  460    HB2  LYS  58           HB2      LYS  58  -3.177 -18.424 -11.483
  461    HB3  LYS  58           HB3      LYS  58  -3.173 -20.186 -11.589
  462    HG2  LYS  58           HG2      LYS  58  -3.992 -19.969 -13.956
  463    HG3  LYS  58           HG3      LYS  58  -3.759 -18.229 -13.825
  464    HD2  LYS  58           HD2      LYS  58  -1.539 -20.208 -13.265
  465    HD3  LYS  58           HD3      LYS  58  -1.832 -19.554 -14.873
  466    HE2  LYS  58           HE2      LYS  58  -1.520 -17.265 -14.024
  467    HE3  LYS  58           HE3      LYS  58  -1.270 -17.889 -12.393
  468    HZ1  LYS  58           HZ1      LYS  58   0.666 -19.080 -13.159
  469    HZ2  LYS  58           HZ2      LYS  58   0.824 -17.436 -13.547
  470    HZ3  LYS  58           HZ3      LYS  58   0.406 -18.557 -14.754
  Start of MODEL   18
    1    H    VAL   1           H        VAL   1   8.133  19.754  -2.396
    2    HA   VAL   1           HA       VAL   1   5.882  20.288  -1.576
    3    HB   VAL   1           HB       VAL   1   6.959  18.102  -1.140
    4   HG11  VAL   1          HG11      VAL   1   8.239  17.642   0.818
    5   HG12  VAL   1          HG12      VAL   1   7.824  19.188   1.553
    6   HG13  VAL   1          HG13      VAL   1   8.915  19.134   0.168
    7   HG21  VAL   1          HG21      VAL   1   5.448  19.139   1.286
    8   HG22  VAL   1          HG22      VAL   1   5.593  17.456   0.781
    9   HG23  VAL   1          HG23      VAL   1   4.697  18.599  -0.216
   10    H    ASP   2           H        ASP   2   4.689  21.603  -0.338
   11    HA   ASP   2           HA       ASP   2   5.925  23.617   1.263
   12    HB2  ASP   2           HB2      ASP   2   3.444  24.079   1.919
   13    HB3  ASP   2           HB3      ASP   2   3.952  24.354   0.257
   14    H    ASN   3           H        ASN   3   3.258  21.560   2.441
   15    HA   ASN   3           HA       ASN   3   4.501  21.490   5.089
   16    HB2  ASN   3           HB2      ASN   3   1.798  20.532   4.103
   17    HB3  ASN   3           HB3      ASN   3   2.336  20.470   5.780
   18   HD21  ASN   3          HD21      ASN   3   1.491  22.713   3.133
   19   HD22  ASN   3          HD22      ASN   3   1.253  24.062   4.142
   20    H    LYS   4           H        LYS   4   2.961  19.065   2.945
   21    HA   LYS   4           HA       LYS   4   5.117  17.215   3.066
   22    HB2  LYS   4           HB2      LYS   4   4.124  17.083   5.442
   23    HB3  LYS   4           HB3      LYS   4   2.716  16.350   4.690
   24    HG2  LYS   4           HG2      LYS   4   4.052  14.505   5.337
   25    HG3  LYS   4           HG3      LYS   4   4.378  14.680   3.615
   26    HD2  LYS   4           HD2      LYS   4   6.447  15.920   4.107
   27    HD3  LYS   4           HD3      LYS   4   6.105  15.838   5.834
   28    HE2  LYS   4           HE2      LYS   4   6.176  13.336   5.676
   29    HE3  LYS   4           HE3      LYS   4   6.659  13.495   3.987
   30    HZ1  LYS   4           HZ1      LYS   4   8.571  14.821   4.738
   31    HZ2  LYS   4           HZ2      LYS   4   8.598  13.240   5.352
   32    HZ3  LYS   4           HZ3      LYS   4   8.127  14.530   6.353
   33    H    PHE   5           H        PHE   5   4.796  15.472   1.654
   34    HA   PHE   5           HA       PHE   5   2.619  15.786  -0.237
   35    HB2  PHE   5           HB2      PHE   5   3.814  13.869  -1.432
   36    HB3  PHE   5           HB3      PHE   5   4.719  15.365  -1.253
   37    HD1  PHE   5           HD1      PHE   5   6.543  15.551   0.426
   38    HD2  PHE   5           HD2      PHE   5   4.495  11.834  -0.260
   39    HE1  PHE   5           HE1      PHE   5   8.347  14.337   1.608
   40    HE2  PHE   5           HE2      PHE   5   6.302  10.622   0.923
   41    HZ   PHE   5           HZ       PHE   5   8.228  11.879   1.857
   42    H    ASN   6           H        ASN   6   1.408  15.200   2.020
   43    HA   ASN   6           HA       ASN   6   0.997  12.543   2.788
   44    HB2  ASN   6           HB2      ASN   6  -1.023  14.804   2.756
   45    HB3  ASN   6           HB3      ASN   6  -1.140  13.328   3.713
   46   HD21  ASN   6          HD21      ASN   6  -0.453  16.482   4.148
   47   HD22  ASN   6          HD22      ASN   6   0.742  16.383   5.352
   48    H    LYS   7           H        LYS   7  -0.241  14.306   0.029
   49    HA   LYS   7           HA       LYS   7  -2.469  12.797  -0.686
   50    HB2  LYS   7           HB2      LYS   7  -0.443  14.072  -2.550
   51    HB3  LYS   7           HB3      LYS   7  -2.085  13.599  -2.981
   52    HG2  LYS   7           HG2      LYS   7  -1.386  15.648  -0.845
   53    HG3  LYS   7           HG3      LYS   7  -1.875  16.041  -2.490
   54    HD2  LYS   7           HD2      LYS   7  -4.015  14.742  -2.070
   55    HD3  LYS   7           HD3      LYS   7  -3.534  14.628  -0.377
   56    HE2  LYS   7           HE2      LYS   7  -5.019  16.531  -0.616
   57    HE3  LYS   7           HE3      LYS   7  -3.392  17.136  -0.305
   58    HZ1  LYS   7           HZ1      LYS   7  -3.797  16.767  -3.084
   59    HZ2  LYS   7           HZ2      LYS   7  -3.399  18.185  -2.244
   60    HZ3  LYS   7           HZ3      LYS   7  -5.029  17.749  -2.448
   61    H    GLU   8           H        GLU   8   0.961  12.098  -1.217
   62    HA   GLU   8           HA       GLU   8   0.655   9.976  -3.062
   63    HB2  GLU   8           HB2      GLU   8   2.816  10.476  -0.993
   64    HB3  GLU   8           HB3      GLU   8   2.927   9.274  -2.275
   65    HG2  GLU   8           HG2      GLU   8   2.607  12.271  -2.675
   66    HG3  GLU   8           HG3      GLU   8   4.088  11.354  -2.923
   67    H    MET   9           H        MET   9   0.731  10.017   0.500
   68    HA   MET   9           HA       MET   9   0.618   7.207   0.866
   69    HB2  MET   9           HB2      MET   9  -0.170   9.535   2.628
   70    HB3  MET   9           HB3      MET   9  -0.347   7.862   3.151
   71    HG2  MET   9           HG2      MET   9   1.840   7.747   3.657
   72    HG3  MET   9           HG3      MET   9   2.282   8.221   2.018
   73    HE1  MET   9           HE1      MET   9   4.065   9.388   2.164
   74    HE2  MET   9           HE2      MET   9   4.340  10.995   2.857
   75    HE3  MET   9           HE3      MET   9   3.273  10.801   1.470
   76    H    ARG  10           H        ARG  10  -1.894   9.696   0.561
   77    HA   ARG  10           HA       ARG  10  -4.137   8.116   1.169
   78    HB2  ARG  10           HB2      ARG  10  -4.136  10.603   0.900
   79    HB3  ARG  10           HB3      ARG  10  -4.004  10.380  -0.843
   80    HG2  ARG  10           HG2      ARG  10  -6.131   9.096  -0.833
   81    HG3  ARG  10           HG3      ARG  10  -6.268   9.355   0.906
   82    HD2  ARG  10           HD2      ARG  10  -6.255  11.823   0.496
   83    HD3  ARG  10           HD3      ARG  10  -6.249  11.503  -1.238
   84    HE   ARG  10           HE       ARG  10  -8.410  10.102  -0.108
   85   HH11  ARG  10          HH11      ARG  10  -7.361  13.376  -0.629
   86   HH12  ARG  10          HH12      ARG  10  -8.969  14.010  -0.722
   87   HH21  ARG  10          HH21      ARG  10 -10.499  10.947  -0.232
   88   HH22  ARG  10          HH22      ARG  10 -10.736  12.641  -0.497
   89    H    ASN  11           H        ASN  11  -2.423   8.608  -1.901
   90    HA   ASN  11           HA       ASN  11  -4.224   7.180  -3.553
   91    HB2  ASN  11           HB2      ASN  11  -1.242   7.621  -3.877
   92    HB3  ASN  11           HB3      ASN  11  -2.316   7.021  -5.136
   93   HD21  ASN  11          HD21      ASN  11  -0.729   9.682  -4.767
   94   HD22  ASN  11          HD22      ASN  11  -1.893  10.874  -5.091
   95    H    ALA  12           H        ALA  12  -1.113   6.099  -2.111
   96    HA   ALA  12           HA       ALA  12  -1.418   3.399  -2.954
   97    HB1  ALA  12           HB1      ALA  12   0.518   2.907  -1.656
   98    HB2  ALA  12           HB2      ALA  12   0.248   4.294  -0.594
   99    HB3  ALA  12           HB3      ALA  12   0.753   4.546  -2.264
  100    H    TYR  13           H        TYR  13  -2.411   5.104  -0.024
  101    HA   TYR  13           HA       TYR  13  -2.994   2.960   1.677
  102    HB2  TYR  13           HB2      TYR  13  -3.058   5.308   2.393
  103    HB3  TYR  13           HB3      TYR  13  -4.450   5.607   1.360
  104    HD1  TYR  13           HD1      TYR  13  -6.643   4.421   1.861
  105    HD2  TYR  13           HD2      TYR  13  -3.307   4.347   4.570
  106    HE1  TYR  13           HE1      TYR  13  -8.149   3.725   3.699
  107    HE2  TYR  13           HE2      TYR  13  -4.818   3.645   6.406
  108    HH   TYR  13           HH       TYR  13  -7.790   4.043   6.589
  109    H    TRP  14           H        TRP  14  -5.178   4.628  -0.586
  110    HA   TRP  14           HA       TRP  14  -7.403   2.914  -0.174
  111    HB2  TRP  14           HB2      TRP  14  -7.475   5.244  -1.075
  112    HB3  TRP  14           HB3      TRP  14  -6.780   4.634  -2.570
  113    HD1  TRP  14           HD1      TRP  14  -9.882   4.064  -0.337
  114    HE1  TRP  14           HE1      TRP  14 -11.849   3.352  -1.846
  115    HE3  TRP  14           HE3      TRP  14  -7.493   3.807  -4.847
  116    HZ2  TRP  14           HZ2      TRP  14 -12.344   2.756  -4.596
  117    HZ3  TRP  14           HZ3      TRP  14  -8.736   3.167  -6.893
  118    HH2  TRP  14           HH2      TRP  14 -11.157   2.642  -6.774
  119    H    GLU  15           H        GLU  15  -4.949   3.019  -2.774
  120    HA   GLU  15           HA       GLU  15  -6.034   0.986  -4.380
  121    HB2  GLU  15           HB2      GLU  15  -3.192   1.960  -4.046
  122    HB3  GLU  15           HB3      GLU  15  -3.665   0.768  -5.258
  123    HG2  GLU  15           HG2      GLU  15  -5.288   2.363  -6.210
  124    HG3  GLU  15           HG3      GLU  15  -4.844   3.556  -4.995
  125    H    ILE  16           H        ILE  16  -3.653   0.747  -1.721
  126    HA   ILE  16           HA       ILE  16  -3.184  -2.043  -2.019
  127    HB   ILE  16           HB       ILE  16  -2.881  -0.219   0.390
  128   HG12  ILE  16          HG12      ILE  16  -0.751  -1.415  -1.411
  129   HG13  ILE  16          HG13      ILE  16  -1.467   0.159  -1.726
  130   HG21  ILE  16          HG21      ILE  16  -3.044  -2.437   1.287
  131   HG22  ILE  16          HG22      ILE  16  -1.318  -2.100   1.176
  132   HG23  ILE  16          HG23      ILE  16  -2.095  -3.120  -0.034
  133   HD11  ILE  16          HD11      ILE  16  -0.712   0.977   0.456
  134   HD12  ILE  16          HD12      ILE  16   0.660   0.325  -0.439
  135   HD13  ILE  16          HD13      ILE  16  -0.074  -0.618   0.856
  136    H    ALA  17           H        ALA  17  -5.361  -0.208   0.128
  137    HA   ALA  17           HA       ALA  17  -6.523  -2.383   1.470
  138    HB1  ALA  17           HB1      ALA  17  -6.821  -0.107   2.256
  139    HB2  ALA  17           HB2      ALA  17  -8.405  -0.809   1.930
  140    HB3  ALA  17           HB3      ALA  17  -7.691   0.327   0.785
  141    H    LEU  18           H        LEU  18  -7.194  -1.013  -1.696
  142    HA   LEU  18           HA       LEU  18  -9.731  -2.128  -2.165
  143    HB2  LEU  18           HB2      LEU  18  -8.610  -0.377  -3.567
  144    HB3  LEU  18           HB3      LEU  18  -7.576  -1.635  -4.235
  145    HG   LEU  18           HG       LEU  18 -10.477  -2.264  -4.312
  146   HD11  LEU  18          HD11      LEU  18  -9.320  -0.019  -6.000
  147   HD12  LEU  18          HD12      LEU  18 -10.608   0.129  -4.804
  148   HD13  LEU  18          HD13      LEU  18 -10.880  -0.794  -6.280
  149   HD21  LEU  18          HD21      LEU  18  -8.774  -3.681  -5.406
  150   HD22  LEU  18          HD22      LEU  18  -8.248  -2.311  -6.383
  151   HD23  LEU  18          HD23      LEU  18  -9.859  -2.990  -6.608
  152    H    LEU  19           H        LEU  19  -6.486  -3.531  -2.526
  153    HA   LEU  19           HA       LEU  19  -7.310  -5.852  -3.961
  154    HB2  LEU  19           HB2      LEU  19  -4.870  -4.977  -2.498
  155    HB3  LEU  19           HB3      LEU  19  -5.060  -6.703  -2.771
  156    HG   LEU  19           HG       LEU  19  -4.965  -6.484  -5.105
  157   HD11  LEU  19          HD11      LEU  19  -5.088  -4.186  -6.231
  158   HD12  LEU  19          HD12      LEU  19  -5.733  -3.586  -4.703
  159   HD13  LEU  19          HD13      LEU  19  -6.603  -4.832  -5.602
  160   HD21  LEU  19          HD21      LEU  19  -3.238  -4.173  -4.171
  161   HD22  LEU  19          HD22      LEU  19  -2.972  -5.198  -5.580
  162   HD23  LEU  19          HD23      LEU  19  -2.806  -5.868  -3.958
  163    HA   PRO  20           HA       PRO  20  -9.211  -7.801  -0.363
  164    HB2  PRO  20           HB2      PRO  20 -10.680  -9.601  -1.652
  165    HB3  PRO  20           HB3      PRO  20 -10.993  -7.865  -1.868
  166    HG2  PRO  20           HG2      PRO  20  -9.489  -9.740  -3.649
  167    HG3  PRO  20           HG3      PRO  20 -10.704  -8.525  -4.075
  168    HD2  PRO  20           HD2      PRO  20  -7.962  -8.119  -4.226
  169    HD3  PRO  20           HD3      PRO  20  -9.172  -6.823  -4.088
  170    H    ASN  21           H        ASN  21  -7.278  -9.660  -2.720
  171    HA   ASN  21           HA       ASN  21  -7.371 -12.071  -1.125
  172    HB2  ASN  21           HB2      ASN  21  -5.913 -13.008  -2.879
  173    HB3  ASN  21           HB3      ASN  21  -7.357 -12.249  -3.536
  174   HD21  ASN  21          HD21      ASN  21  -5.495 -12.458  -5.412
  175   HD22  ASN  21          HD22      ASN  21  -4.644 -11.004  -5.651
  176    H    LEU  22           H        LEU  22  -5.614  -9.296  -0.666
  177    HA   LEU  22           HA       LEU  22  -3.045 -10.444  -0.077
  178    HB2  LEU  22           HB2      LEU  22  -4.215  -7.873   1.009
  179    HB3  LEU  22           HB3      LEU  22  -2.520  -8.358   1.065
  180    HG   LEU  22           HG       LEU  22  -3.949  -8.137  -1.575
  181   HD11  LEU  22          HD11      LEU  22  -2.656  -5.922   0.056
  182   HD12  LEU  22          HD12      LEU  22  -4.315  -5.971  -0.539
  183   HD13  LEU  22          HD13      LEU  22  -2.976  -5.794  -1.673
  184   HD21  LEU  22          HD21      LEU  22  -1.648  -7.695  -2.352
  185   HD22  LEU  22          HD22      LEU  22  -1.726  -9.220  -1.480
  186   HD23  LEU  22          HD23      LEU  22  -1.060  -7.790  -0.692
  187    H    ASN  23           H        ASN  23  -2.320 -11.360   1.750
  188    HA   ASN  23           HA       ASN  23  -4.055 -12.468   3.652
  189    HB2  ASN  23           HB2      ASN  23  -1.697 -13.207   3.267
  190    HB3  ASN  23           HB3      ASN  23  -1.144 -11.767   4.118
  191   HD21  ASN  23          HD21      ASN  23  -3.021 -14.784   4.566
  192   HD22  ASN  23          HD22      ASN  23  -2.824 -14.836   6.253
  193    H    ASN  24           H        ASN  24  -4.746 -11.874   5.690
  194    HA   ASN  24           HA       ASN  24  -5.456  -9.288   6.251
  195    HB2  ASN  24           HB2      ASN  24  -6.294 -11.343   7.408
  196    HB3  ASN  24           HB3      ASN  24  -4.806 -11.376   8.347
  197   HD21  ASN  24          HD21      ASN  24  -7.618  -9.246   7.624
  198   HD22  ASN  24          HD22      ASN  24  -7.580  -8.444   9.122
  199    H    GLN  25           H        GLN  25  -2.492 -10.923   7.353
  200    HA   GLN  25           HA       GLN  25  -1.556  -8.798   8.994
  201    HB2  GLN  25           HB2      GLN  25  -0.053 -11.045   7.619
  202    HB3  GLN  25           HB3      GLN  25   0.638  -9.976   8.841
  203    HG2  GLN  25           HG2      GLN  25  -1.057 -10.715  10.470
  204    HG3  GLN  25           HG3      GLN  25  -1.787 -11.762   9.257
  205   HE21  GLN  25          HE21      GLN  25  -0.525 -12.558  11.850
  206   HE22  GLN  25          HE22      GLN  25   0.723 -13.632  11.442
  207    H    GLN  26           H        GLN  26  -0.965  -9.649   5.597
  208    HA   GLN  26           HA       GLN  26   1.029  -7.713   5.075
  209    HB2  GLN  26           HB2      GLN  26  -0.921  -9.093   3.219
  210    HB3  GLN  26           HB3      GLN  26   0.431  -8.100   2.675
  211    HG2  GLN  26           HG2      GLN  26   2.017  -9.589   3.822
  212    HG3  GLN  26           HG3      GLN  26   0.686 -10.567   4.433
  213   HE21  GLN  26          HE21      GLN  26  -0.934 -11.028   2.294
  214   HE22  GLN  26          HE22      GLN  26  -0.086 -11.754   1.013
  215    H    LYS  27           H        LYS  27  -2.513  -7.587   4.721
  216    HA   LYS  27           HA       LYS  27  -2.803  -5.199   3.325
  217    HB2  LYS  27           HB2      LYS  27  -4.534  -6.316   5.552
  218    HB3  LYS  27           HB3      LYS  27  -5.020  -5.004   4.477
  219    HG2  LYS  27           HG2      LYS  27  -4.844  -6.452   2.537
  220    HG3  LYS  27           HG3      LYS  27  -4.201  -7.763   3.519
  221    HD2  LYS  27           HD2      LYS  27  -6.296  -8.461   3.980
  222    HD3  LYS  27           HD3      LYS  27  -6.650  -6.909   4.735
  223    HE2  LYS  27           HE2      LYS  27  -8.263  -7.106   3.012
  224    HE3  LYS  27           HE3      LYS  27  -7.034  -6.031   2.342
  225    HZ1  LYS  27           HZ1      LYS  27  -6.154  -8.546   1.717
  226    HZ2  LYS  27           HZ2      LYS  27  -6.925  -7.466   0.655
  227    HZ3  LYS  27           HZ3      LYS  27  -7.836  -8.644   1.479
  228    H    ARG  28           H        ARG  28  -2.779  -5.593   6.867
  229    HA   ARG  28           HA       ARG  28  -2.736  -2.785   7.418
  230    HB2  ARG  28           HB2      ARG  28  -3.621  -4.526   8.978
  231    HB3  ARG  28           HB3      ARG  28  -1.970  -5.084   9.238
  232    HG2  ARG  28           HG2      ARG  28  -1.347  -2.825  10.069
  233    HG3  ARG  28           HG3      ARG  28  -3.012  -2.291   9.834
  234    HD2  ARG  28           HD2      ARG  28  -3.762  -4.082  11.412
  235    HD3  ARG  28           HD3      ARG  28  -2.072  -4.489  11.705
  236    HE   ARG  28           HE       ARG  28  -2.407  -1.732  12.174
  237   HH11  ARG  28          HH11      ARG  28  -3.401  -4.791  13.492
  238   HH12  ARG  28          HH12      ARG  28  -3.548  -4.190  15.109
  239   HH21  ARG  28          HH21      ARG  28  -2.604  -0.966  14.288
  240   HH22  ARG  28          HH22      ARG  28  -3.098  -2.035  15.557
  241    H    ALA  29           H        ALA  29  -0.262  -5.288   7.132
  242    HA   ALA  29           HA       ALA  29   1.905  -3.967   8.283
  243    HB1  ALA  29           HB1      ALA  29   1.837  -5.994   6.049
  244    HB2  ALA  29           HB2      ALA  29   2.033  -6.308   7.773
  245    HB3  ALA  29           HB3      ALA  29   3.308  -5.485   6.876
  246    H    PHE  30           H        PHE  30   1.149  -4.086   4.739
  247    HA   PHE  30           HA       PHE  30   3.289  -2.411   4.007
  248    HB2  PHE  30           HB2      PHE  30   0.732  -3.172   2.648
  249    HB3  PHE  30           HB3      PHE  30   1.749  -1.920   1.945
  250    HD1  PHE  30           HD1      PHE  30   1.581  -5.508   2.857
  251    HD2  PHE  30           HD2      PHE  30   3.974  -2.414   1.097
  252    HE1  PHE  30           HE1      PHE  30   3.134  -7.214   1.969
  253    HE2  PHE  30           HE2      PHE  30   5.531  -4.119   0.208
  254    HZ   PHE  30           HZ       PHE  30   5.113  -6.521   0.637
  255    H    ILE  31           H        ILE  31  -0.153  -1.462   4.424
  256    HA   ILE  31           HA       ILE  31   0.248   1.266   3.941
  257    HB   ILE  31           HB       ILE  31  -1.878  -0.118   5.600
  258   HG12  ILE  31          HG12      ILE  31  -1.726   0.907   2.735
  259   HG13  ILE  31          HG13      ILE  31  -1.911  -0.765   3.253
  260   HG21  ILE  31          HG21      ILE  31  -1.756   2.757   4.610
  261   HG22  ILE  31          HG22      ILE  31  -1.681   2.247   6.296
  262   HG23  ILE  31          HG23      ILE  31  -3.156   2.000   5.370
  263   HD11  ILE  31          HD11      ILE  31  -4.102  -0.183   2.662
  264   HD12  ILE  31          HD12      ILE  31  -3.941   1.462   3.274
  265   HD13  ILE  31          HD13      ILE  31  -4.111   0.113   4.401
  266    H    ARG  32           H        ARG  32   0.496  -0.547   7.012
  267    HA   ARG  32           HA       ARG  32   0.894   1.737   8.670
  268    HB2  ARG  32           HB2      ARG  32   0.313  -0.522   9.543
  269    HB3  ARG  32           HB3      ARG  32   1.922  -1.089   9.094
  270    HG2  ARG  32           HG2      ARG  32   2.932   0.606  10.600
  271    HG3  ARG  32           HG3      ARG  32   1.320   1.161  11.050
  272    HD2  ARG  32           HD2      ARG  32   0.809  -1.136  11.892
  273    HD3  ARG  32           HD3      ARG  32   2.469  -1.606  11.531
  274    HE   ARG  32           HE       ARG  32   2.545   0.689  13.157
  275   HH11  ARG  32          HH11      ARG  32   1.584  -2.647  13.327
  276   HH12  ARG  32          HH12      ARG  32   1.898  -2.783  15.023
  277   HH21  ARG  32          HH21      ARG  32   2.948   0.494  15.368
  278   HH22  ARG  32          HH22      ARG  32   2.667  -1.012  16.173
  279    H    SER  33           H        SER  33   3.160  -0.503   7.082
  280    HA   SER  33           HA       SER  33   5.562   0.724   7.935
  281    HB2  SER  33           HB2      SER  33   5.435  -1.551   6.930
  282    HB3  SER  33           HB3      SER  33   5.068  -0.820   5.370
  283    HG   SER  33           HG       SER  33   7.133   0.454   5.987
  284    H    LEU  34           H        LEU  34   3.249   1.550   5.485
  285    HA   LEU  34           HA       LEU  34   4.824   3.133   3.765
  286    HB2  LEU  34           HB2      LEU  34   2.217   2.339   3.831
  287    HB3  LEU  34           HB3      LEU  34   2.042   4.019   4.305
  288    HG   LEU  34           HG       LEU  34   3.842   3.552   1.990
  289   HD11  LEU  34          HD11      LEU  34   2.111   3.056   0.406
  290   HD12  LEU  34          HD12      LEU  34   0.849   3.247   1.622
  291   HD13  LEU  34          HD13      LEU  34   1.947   1.867   1.701
  292   HD21  LEU  34          HD21      LEU  34   2.451   5.497   1.124
  293   HD22  LEU  34          HD22      LEU  34   3.310   5.825   2.629
  294   HD23  LEU  34          HD23      LEU  34   1.581   5.470   2.654
  295    H    TYR  35           H        TYR  35   3.017   3.904   6.719
  296    HA   TYR  35           HA       TYR  35   3.654   6.692   6.759
  297    HB2  TYR  35           HB2      TYR  35   1.765   5.671   8.046
  298    HB3  TYR  35           HB3      TYR  35   2.943   4.876   9.090
  299    HD1  TYR  35           HD1      TYR  35   1.595   8.167   8.012
  300    HD2  TYR  35           HD2      TYR  35   4.163   6.109  10.782
  301    HE1  TYR  35           HE1      TYR  35   1.775  10.227   9.382
  302    HE2  TYR  35           HE2      TYR  35   4.338   8.172  12.147
  303    HH   TYR  35           HH       TYR  35   2.446  10.475  12.247
  304    H    ASP  36           H        ASP  36   5.081   3.761   8.111
  305    HA   ASP  36           HA       ASP  36   7.110   4.976   9.673
  306    HB2  ASP  36           HB2      ASP  36   6.287   2.545   9.733
  307    HB3  ASP  36           HB3      ASP  36   7.351   2.270   8.353
  308    H    ASP  37           H        ASP  37   6.909   4.183   6.250
  309    HA   ASP  37           HA       ASP  37   9.461   5.579   5.781
  310    HB2  ASP  37           HB2      ASP  37   8.847   2.794   4.750
  311    HB3  ASP  37           HB3      ASP  37  10.245   3.770   4.287
  312    HA   PRO  38           HA       PRO  38   5.938   6.899   2.970
  313    HB2  PRO  38           HB2      PRO  38   7.607   9.373   3.105
  314    HB3  PRO  38           HB3      PRO  38   5.853   9.186   3.245
  315    HG2  PRO  38           HG2      PRO  38   7.361   9.681   5.373
  316    HG3  PRO  38           HG3      PRO  38   5.952   8.610   5.466
  317    HD2  PRO  38           HD2      PRO  38   8.858   7.901   5.425
  318    HD3  PRO  38           HD3      PRO  38   7.515   7.111   6.276
  319    H    SER  39           H        SER  39   9.429   7.247   2.754
  320    HA   SER  39           HA       SER  39   9.701   7.994   0.071
  321    HB2  SER  39           HB2      SER  39  11.537   8.011   1.743
  322    HB3  SER  39           HB3      SER  39  11.584   6.252   1.679
  323    HG   SER  39           HG       SER  39  11.769   6.731  -0.742
  324    H    GLN  40           H        GLN  40   9.009   4.827   1.467
  325    HA   GLN  40           HA       GLN  40   9.565   3.477  -1.074
  326    HB2  GLN  40           HB2      GLN  40   8.512   2.296   1.505
  327    HB3  GLN  40           HB3      GLN  40   9.175   1.417   0.134
  328    HG2  GLN  40           HG2      GLN  40  10.700   3.372   1.884
  329    HG3  GLN  40           HG3      GLN  40  10.835   1.620   1.951
  330   HE21  GLN  40          HE21      GLN  40  12.406   4.279   0.726
  331   HE22  GLN  40          HE22      GLN  40  13.171   3.559  -0.608
  332    H    SER  41           H        SER  41   6.985   5.241   0.010
  333    HA   SER  41           HA       SER  41   4.676   3.792  -0.180
  334    HB2  SER  41           HB2      SER  41   4.681   6.204   0.213
  335    HB3  SER  41           HB3      SER  41   5.169   6.494  -1.454
  336    HG   SER  41           HG       SER  41   3.194   6.056  -2.109
  337    H    ALA  42           H        ALA  42   6.626   4.895  -2.938
  338    HA   ALA  42           HA       ALA  42   4.845   3.984  -4.958
  339    HB1  ALA  42           HB1      ALA  42   6.615   5.631  -5.408
  340    HB2  ALA  42           HB2      ALA  42   6.780   4.233  -6.468
  341    HB3  ALA  42           HB3      ALA  42   7.844   4.412  -5.073
  342    H    ASN  43           H        ASN  43   7.723   2.537  -3.444
  343    HA   ASN  43           HA       ASN  43   7.718   0.133  -4.969
  344    HB2  ASN  43           HB2      ASN  43   8.859   0.661  -2.209
  345    HB3  ASN  43           HB3      ASN  43   9.237  -0.725  -3.225
  346   HD21  ASN  43          HD21      ASN  43  11.242   1.090  -2.327
  347   HD22  ASN  43          HD22      ASN  43  11.856   1.927  -3.673
  348    H    LEU  44           H        LEU  44   6.466   0.928  -1.737
  349    HA   LEU  44           HA       LEU  44   5.570  -1.607  -0.973
  350    HB2  LEU  44           HB2      LEU  44   4.401   1.084  -0.330
  351    HB3  LEU  44           HB3      LEU  44   4.053  -0.384   0.552
  352    HG   LEU  44           HG       LEU  44   6.860   0.751   0.247
  353   HD11  LEU  44          HD11      LEU  44   6.511   1.393   2.699
  354   HD12  LEU  44          HD12      LEU  44   4.785   1.174   2.403
  355   HD13  LEU  44          HD13      LEU  44   5.689   2.393   1.503
  356   HD21  LEU  44          HD21      LEU  44   6.784  -1.647   0.779
  357   HD22  LEU  44          HD22      LEU  44   5.691  -1.324   2.126
  358   HD23  LEU  44          HD23      LEU  44   7.349  -0.724   2.169
  359    H    LEU  45           H        LEU  45   3.870   0.952  -2.791
  360    HA   LEU  45           HA       LEU  45   1.349  -0.318  -2.975
  361    HB2  LEU  45           HB2      LEU  45   1.509   2.006  -3.531
  362    HB3  LEU  45           HB3      LEU  45   2.761   1.702  -4.727
  363    HG   LEU  45           HG       LEU  45   1.123   0.481  -6.138
  364   HD11  LEU  45          HD11      LEU  45  -1.309   0.638  -5.520
  365   HD12  LEU  45          HD12      LEU  45  -0.820   1.216  -3.927
  366   HD13  LEU  45          HD13      LEU  45  -0.377  -0.407  -4.452
  367   HD21  LEU  45          HD21      LEU  45   1.419   2.945  -6.395
  368   HD22  LEU  45          HD22      LEU  45   0.078   3.199  -5.277
  369   HD23  LEU  45          HD23      LEU  45  -0.203   2.411  -6.830
  370    H    ALA  46           H        ALA  46   4.115  -0.264  -5.194
  371    HA   ALA  46           HA       ALA  46   3.068  -2.036  -7.149
  372    HB1  ALA  46           HB1      ALA  46   5.385  -2.283  -7.897
  373    HB2  ALA  46           HB2      ALA  46   5.970  -1.601  -6.379
  374    HB3  ALA  46           HB3      ALA  46   5.062  -0.595  -7.506
  375    H    GLU  47           H        GLU  47   4.977  -2.550  -4.233
  376    HA   GLU  47           HA       GLU  47   5.417  -5.330  -4.490
  377    HB2  GLU  47           HB2      GLU  47   5.367  -3.406  -2.158
  378    HB3  GLU  47           HB3      GLU  47   5.610  -5.143  -1.912
  379    HG2  GLU  47           HG2      GLU  47   7.299  -3.479  -3.809
  380    HG3  GLU  47           HG3      GLU  47   7.753  -3.793  -2.138
  381    H    ALA  48           H        ALA  48   2.778  -3.440  -3.067
  382    HA   ALA  48           HA       ALA  48   1.381  -5.613  -1.889
  383    HB1  ALA  48           HB1      ALA  48   0.223  -3.024  -2.964
  384    HB2  ALA  48           HB2      ALA  48   0.948  -3.207  -1.368
  385    HB3  ALA  48           HB3      ALA  48  -0.518  -4.097  -1.778
  386    H    LYS  49           H        LYS  49   1.279  -4.081  -5.076
  387    HA   LYS  49           HA       LYS  49  -0.895  -5.563  -6.131
  388    HB2  LYS  49           HB2      LYS  49   0.476  -3.448  -7.042
  389    HB3  LYS  49           HB3      LYS  49   1.327  -4.708  -7.937
  390    HG2  LYS  49           HG2      LYS  49  -0.988  -5.567  -8.640
  391    HG3  LYS  49           HG3      LYS  49  -1.629  -4.060  -7.996
  392    HD2  LYS  49           HD2      LYS  49   0.320  -3.022  -9.514
  393    HD3  LYS  49           HD3      LYS  49   0.075  -4.526 -10.403
  394    HE2  LYS  49           HE2      LYS  49  -2.406  -3.978 -10.436
  395    HE3  LYS  49           HE3      LYS  49  -1.985  -2.386  -9.791
  396    HZ1  LYS  49           HZ1      LYS  49  -0.481  -2.118 -11.719
  397    HZ2  LYS  49           HZ2      LYS  49  -2.115  -2.243 -12.158
  398    HZ3  LYS  49           HZ3      LYS  49  -1.078  -3.574 -12.359
  399    H    LYS  50           H        LYS  50   2.573  -6.144  -5.912
  400    HA   LYS  50           HA       LYS  50   2.811  -8.375  -7.605
  401    HB2  LYS  50           HB2      LYS  50   4.680  -7.038  -6.562
  402    HB3  LYS  50           HB3      LYS  50   4.349  -7.868  -5.045
  403    HG2  LYS  50           HG2      LYS  50   4.847 -10.031  -6.057
  404    HG3  LYS  50           HG3      LYS  50   5.025  -9.285  -7.645
  405    HD2  LYS  50           HD2      LYS  50   7.253  -9.514  -6.880
  406    HD3  LYS  50           HD3      LYS  50   6.861  -7.829  -6.550
  407    HE2  LYS  50           HE2      LYS  50   6.186  -8.585  -4.198
  408    HE3  LYS  50           HE3      LYS  50   6.941 -10.131  -4.584
  409    HZ1  LYS  50           HZ1      LYS  50   9.022  -9.124  -4.840
  410    HZ2  LYS  50           HZ2      LYS  50   8.375  -8.407  -3.443
  411    HZ3  LYS  50           HZ3      LYS  50   8.364  -7.555  -4.913
  412    H    LEU  51           H        LEU  51   2.062  -8.121  -4.144
  413    HA   LEU  51           HA       LEU  51   1.901 -10.895  -3.588
  414    HB2  LEU  51           HB2      LEU  51   0.667  -8.465  -2.277
  415    HB3  LEU  51           HB3      LEU  51   0.460 -10.088  -1.620
  416    HG   LEU  51           HG       LEU  51   3.167  -8.821  -2.189
  417   HD11  LEU  51          HD11      LEU  51   3.230  -8.715   0.383
  418   HD12  LEU  51          HD12      LEU  51   1.477  -8.887   0.315
  419   HD13  LEU  51          HD13      LEU  51   2.257  -7.501  -0.446
  420   HD21  LEU  51          HD21      LEU  51   3.493 -11.152  -2.120
  421   HD22  LEU  51          HD22      LEU  51   2.229 -11.394  -0.914
  422   HD23  LEU  51          HD23      LEU  51   3.774 -10.685  -0.446
  423    H    ASN  52           H        ASN  52  -0.526  -8.513  -4.602
  424    HA   ASN  52           HA       ASN  52  -2.794 -10.195  -4.518
  425    HB2  ASN  52           HB2      ASN  52  -3.141  -7.850  -4.710
  426    HB3  ASN  52           HB3      ASN  52  -2.121  -7.730  -6.136
  427   HD21  ASN  52          HD21      ASN  52  -5.268  -9.008  -4.997
  428   HD22  ASN  52          HD22      ASN  52  -5.990  -9.028  -6.536
  429    H    ASP  53           H        ASP  53  -0.568  -9.387  -7.172
  430    HA   ASP  53           HA       ASP  53  -1.793 -10.958  -9.167
  431    HB2  ASP  53           HB2      ASP  53  -0.096  -9.190  -9.566
  432    HB3  ASP  53           HB3      ASP  53   1.142 -10.244  -8.916
  433    H    ALA  54           H        ALA  54   0.686 -11.754  -6.762
  434    HA   ALA  54           HA       ALA  54   1.222 -14.337  -7.868
  435    HB1  ALA  54           HB1      ALA  54   2.934 -13.164  -6.604
  436    HB2  ALA  54           HB2      ALA  54   2.543 -14.682  -5.797
  437    HB3  ALA  54           HB3      ALA  54   1.912 -13.159  -5.168
  438    H    GLN  55           H        GLN  55  -0.483 -13.282  -4.897
  439    HA   GLN  55           HA       GLN  55  -1.269 -15.883  -4.080
  440    HB2  GLN  55           HB2      GLN  55  -2.462 -13.177  -3.397
  441    HB3  GLN  55           HB3      GLN  55  -2.880 -14.690  -2.599
  442    HG2  GLN  55           HG2      GLN  55  -0.711 -14.941  -1.675
  443    HG3  GLN  55           HG3      GLN  55  -0.013 -13.747  -2.770
  444   HE21  GLN  55          HE21      GLN  55  -1.611 -11.569  -2.571
  445   HE22  GLN  55          HE22      GLN  55  -1.728 -11.016  -0.974
  446    H    ALA  56           H        ALA  56  -2.696 -13.615  -6.334
  447    HA   ALA  56           HA       ALA  56  -5.342 -14.476  -6.364
  448    HB1  ALA  56           HB1      ALA  56  -4.848 -12.532  -7.602
  449    HB2  ALA  56           HB2      ALA  56  -5.268 -13.731  -8.823
  450    HB3  ALA  56           HB3      ALA  56  -3.576 -13.336  -8.522
  451    HA   PRO  57           HA       PRO  57  -5.173 -18.574  -8.060
  452    HB2  PRO  57           HB2      PRO  57  -7.712 -18.783  -9.056
  453    HB3  PRO  57           HB3      PRO  57  -7.344 -18.824  -7.321
  454    HG2  PRO  57           HG2      PRO  57  -8.379 -16.579  -8.980
  455    HG3  PRO  57           HG3      PRO  57  -8.812 -17.058  -7.331
  456    HD2  PRO  57           HD2      PRO  57  -7.120 -14.977  -7.902
  457    HD3  PRO  57           HD3      PRO  57  -7.051 -15.910  -6.391
  458    H    LYS  58           H        LYS  58  -5.045 -19.726 -10.027
  459    HA   LYS  58           HA       LYS  58  -4.771 -18.043 -12.442
  460    HB2  LYS  58           HB2      LYS  58  -3.608 -20.766 -11.776
  461    HB3  LYS  58           HB3      LYS  58  -3.373 -19.914 -13.304
  462    HG2  LYS  58           HG2      LYS  58  -2.381 -17.995 -12.028
  463    HG3  LYS  58           HG3      LYS  58  -2.507 -18.957 -10.555
  464    HD2  LYS  58           HD2      LYS  58  -1.089 -20.721 -11.650
  465    HD3  LYS  58           HD3      LYS  58  -0.875 -19.636 -13.024
  466    HE2  LYS  58           HE2      LYS  58   1.027 -19.161 -11.748
  467    HE3  LYS  58           HE3      LYS  58  -0.091 -17.912 -11.195
  468    HZ1  LYS  58           HZ1      LYS  58  -0.752 -19.590  -9.426
  469    HZ2  LYS  58           HZ2      LYS  58   0.765 -18.851  -9.254
  470    HZ3  LYS  58           HZ3      LYS  58   0.657 -20.438  -9.850
  Start of MODEL   19
    1    H    VAL   1           H        VAL   1   3.125  19.284   8.173
    2    HA   VAL   1           HA       VAL   1   5.850  19.507   7.114
    3    HB   VAL   1           HB       VAL   1   5.626  17.204   8.069
    4   HG11  VAL   1          HG11      VAL   1   3.387  16.850   6.049
    5   HG12  VAL   1          HG12      VAL   1   3.128  17.064   7.781
    6   HG13  VAL   1          HG13      VAL   1   3.994  15.649   7.189
    7   HG21  VAL   1          HG21      VAL   1   6.477  16.084   6.161
    8   HG22  VAL   1          HG22      VAL   1   6.868  17.779   5.873
    9   HG23  VAL   1          HG23      VAL   1   5.495  17.037   5.051
   10    H    ASP   2           H        ASP   2   5.714  19.140   4.722
   11    HA   ASP   2           HA       ASP   2   3.727  20.778   3.560
   12    HB2  ASP   2           HB2      ASP   2   6.034  20.378   2.649
   13    HB3  ASP   2           HB3      ASP   2   5.492  18.783   2.135
   14    H    ASN   3           H        ASN   3   2.026  20.304   2.189
   15    HA   ASN   3           HA       ASN   3   0.283  18.254   2.877
   16    HB2  ASN   3           HB2      ASN   3   0.408  19.812   0.282
   17    HB3  ASN   3           HB3      ASN   3  -0.977  18.879   0.844
   18   HD21  ASN   3          HD21      ASN   3  -0.262  21.972   0.519
   19   HD22  ASN   3          HD22      ASN   3  -0.890  22.627   1.956
   20    H    LYS   4           H        LYS   4   2.972  18.123   0.662
   21    HA   LYS   4           HA       LYS   4   2.197  16.137  -1.117
   22    HB2  LYS   4           HB2      LYS   4   4.565  15.615  -1.402
   23    HB3  LYS   4           HB3      LYS   4   4.298  17.352  -1.345
   24    HG2  LYS   4           HG2      LYS   4   5.649  17.571   0.434
   25    HG3  LYS   4           HG3      LYS   4   4.766  16.349   1.339
   26    HD2  LYS   4           HD2      LYS   4   6.724  15.555  -0.823
   27    HD3  LYS   4           HD3      LYS   4   7.279  15.945   0.794
   28    HE2  LYS   4           HE2      LYS   4   6.956  13.670   1.058
   29    HE3  LYS   4           HE3      LYS   4   5.348  14.237   1.498
   30    HZ1  LYS   4           HZ1      LYS   4   5.875  13.752  -1.336
   31    HZ2  LYS   4           HZ2      LYS   4   4.453  13.506  -0.442
   32    HZ3  LYS   4           HZ3      LYS   4   5.731  12.390  -0.331
   33    H    PHE   5           H        PHE   5   2.924  15.790   2.267
   34    HA   PHE   5           HA       PHE   5   3.603  13.047   2.299
   35    HB2  PHE   5           HB2      PHE   5   3.192  15.120   4.220
   36    HB3  PHE   5           HB3      PHE   5   2.205  13.748   4.714
   37    HD1  PHE   5           HD1      PHE   5   5.659  14.806   3.817
   38    HD2  PHE   5           HD2      PHE   5   3.205  11.722   5.531
   39    HE1  PHE   5           HE1      PHE   5   7.689  13.628   4.608
   40    HE2  PHE   5           HE2      PHE   5   5.235  10.535   6.309
   41    HZ   PHE   5           HZ       PHE   5   7.481  11.494   5.858
   42    H    ASN   6           H        ASN   6   0.487  14.516   3.253
   43    HA   ASN   6           HA       ASN   6  -0.952  12.131   3.461
   44    HB2  ASN   6           HB2      ASN   6  -1.984  14.892   2.772
   45    HB3  ASN   6           HB3      ASN   6  -2.964  13.541   3.337
   46   HD21  ASN   6          HD21      ASN   6  -1.711  12.486   5.473
   47   HD22  ASN   6          HD22      ASN   6  -1.371  13.654   6.658
   48    H    LYS   7           H        LYS   7  -0.429  14.179   0.611
   49    HA   LYS   7           HA       LYS   7  -2.392  13.113  -1.067
   50    HB2  LYS   7           HB2      LYS   7   0.286  14.342  -1.665
   51    HB3  LYS   7           HB3      LYS   7  -0.852  13.861  -2.931
   52    HG2  LYS   7           HG2      LYS   7  -2.618  15.221  -1.758
   53    HG3  LYS   7           HG3      LYS   7  -1.363  15.817  -0.673
   54    HD2  LYS   7           HD2      LYS   7  -0.154  16.796  -2.542
   55    HD3  LYS   7           HD3      LYS   7  -1.306  16.112  -3.691
   56    HE2  LYS   7           HE2      LYS   7  -3.123  17.373  -2.471
   57    HE3  LYS   7           HE3      LYS   7  -1.853  18.204  -1.574
   58    HZ1  LYS   7           HZ1      LYS   7  -2.443  19.540  -3.445
   59    HZ2  LYS   7           HZ2      LYS   7  -2.273  18.234  -4.513
   60    HZ3  LYS   7           HZ3      LYS   7  -0.905  18.885  -3.747
   61    H    GLU   8           H        GLU   8   1.068  12.157  -0.937
   62    HA   GLU   8           HA       GLU   8   0.844  10.032  -2.787
   63    HB2  GLU   8           HB2      GLU   8   2.840  10.488  -0.551
   64    HB3  GLU   8           HB3      GLU   8   3.013   9.255  -1.802
   65    HG2  GLU   8           HG2      GLU   8   2.919  11.042  -3.541
   66    HG3  GLU   8           HG3      GLU   8   2.829  12.253  -2.269
   67    H    MET   9           H        MET   9   0.658  10.067   0.767
   68    HA   MET   9           HA       MET   9   0.468   7.270   1.126
   69    HB2  MET   9           HB2      MET   9  -0.124   9.674   2.788
   70    HB3  MET   9           HB3      MET   9  -0.855   8.150   3.290
   71    HG2  MET   9           HG2      MET   9   1.392   8.550   4.325
   72    HG3  MET   9           HG3      MET   9   1.319   7.069   3.374
   73    HE1  MET   9           HE1      MET   9   2.486  10.539   3.861
   74    HE2  MET   9           HE2      MET   9   3.972  10.642   2.906
   75    HE3  MET   9           HE3      MET   9   3.848   9.481   4.226
   76    H    ARG  10           H        ARG  10  -2.055   9.762   0.760
   77    HA   ARG  10           HA       ARG  10  -4.299   8.133   1.172
   78    HB2  ARG  10           HB2      ARG  10  -4.335  10.620   1.015
   79    HB3  ARG  10           HB3      ARG  10  -4.080  10.490  -0.725
   80    HG2  ARG  10           HG2      ARG  10  -6.186   9.200  -0.937
   81    HG3  ARG  10           HG3      ARG  10  -6.437   9.329   0.805
   82    HD2  ARG  10           HD2      ARG  10  -6.424  11.828   0.562
   83    HD3  ARG  10           HD3      ARG  10  -6.334  11.617  -1.187
   84    HE   ARG  10           HE       ARG  10  -8.526  10.125  -0.256
   85   HH11  ARG  10          HH11      ARG  10  -7.500  13.438  -0.497
   86   HH12  ARG  10          HH12      ARG  10  -9.110  14.061  -0.615
   87   HH21  ARG  10          HH21      ARG  10 -10.618  10.955  -0.410
   88   HH22  ARG  10          HH22      ARG  10 -10.867  12.660  -0.566
   89    H    ASN  11           H        ASN  11  -2.443   8.774  -1.790
   90    HA   ASN  11           HA       ASN  11  -4.127   7.440  -3.612
   91    HB2  ASN  11           HB2      ASN  11  -2.249   8.960  -4.231
   92    HB3  ASN  11           HB3      ASN  11  -1.112   7.701  -3.757
   93   HD21  ASN  11          HD21      ASN  11  -3.845   8.315  -6.016
   94   HD22  ASN  11          HD22      ASN  11  -3.312   7.214  -7.192
   95    H    ALA  12           H        ALA  12  -1.112   6.198  -2.077
   96    HA   ALA  12           HA       ALA  12  -1.529   3.537  -3.039
   97    HB1  ALA  12           HB1      ALA  12   0.210   4.229  -0.670
   98    HB2  ALA  12           HB2      ALA  12   0.696   4.594  -2.325
   99    HB3  ALA  12           HB3      ALA  12   0.415   2.922  -1.842
  100    H    TYR  13           H        TYR  13  -2.522   5.214  -0.111
  101    HA   TYR  13           HA       TYR  13  -3.101   3.062   1.587
  102    HB2  TYR  13           HB2      TYR  13  -3.197   5.377   2.352
  103    HB3  TYR  13           HB3      TYR  13  -4.536   5.720   1.265
  104    HD1  TYR  13           HD1      TYR  13  -6.788   4.686   1.687
  105    HD2  TYR  13           HD2      TYR  13  -3.534   4.259   4.459
  106    HE1  TYR  13           HE1      TYR  13  -8.379   3.966   3.443
  107    HE2  TYR  13           HE2      TYR  13  -5.130   3.541   6.217
  108    HH   TYR  13           HH       TYR  13  -7.891   2.364   5.820
  109    H    TRP  14           H        TRP  14  -5.387   4.782  -0.540
  110    HA   TRP  14           HA       TRP  14  -7.515   2.941  -0.205
  111    HB2  TRP  14           HB2      TRP  14  -7.730   5.311  -0.948
  112    HB3  TRP  14           HB3      TRP  14  -7.017   4.848  -2.485
  113    HD1  TRP  14           HD1      TRP  14 -10.123   4.183  -0.315
  114    HE1  TRP  14           HE1      TRP  14 -12.039   3.381  -1.841
  115    HE3  TRP  14           HE3      TRP  14  -7.626   3.820  -4.761
  116    HZ2  TRP  14           HZ2      TRP  14 -12.460   2.678  -4.579
  117    HZ3  TRP  14           HZ3      TRP  14  -8.810   3.082  -6.810
  118    HH2  TRP  14           HH2      TRP  14 -11.223   2.511  -6.724
  119    H    GLU  15           H        GLU  15  -5.041   3.279  -2.758
  120    HA   GLU  15           HA       GLU  15  -6.049   1.343  -4.525
  121    HB2  GLU  15           HB2      GLU  15  -4.232   3.004  -5.026
  122    HB3  GLU  15           HB3      GLU  15  -3.130   2.012  -4.077
  123    HG2  GLU  15           HG2      GLU  15  -2.869   1.417  -6.416
  124    HG3  GLU  15           HG3      GLU  15  -3.640   0.073  -5.585
  125    H    ILE  16           H        ILE  16  -3.564   0.969  -1.970
  126    HA   ILE  16           HA       ILE  16  -3.179  -1.816  -2.344
  127    HB   ILE  16           HB       ILE  16  -2.729  -0.063   0.093
  128   HG12  ILE  16          HG12      ILE  16  -0.694  -1.220  -1.838
  129   HG13  ILE  16          HG13      ILE  16  -1.418   0.366  -2.082
  130   HG21  ILE  16          HG21      ILE  16  -2.835  -2.269   0.972
  131   HG22  ILE  16          HG22      ILE  16  -1.117  -2.001   0.694
  132   HG23  ILE  16          HG23      ILE  16  -2.054  -2.966  -0.446
  133   HD11  ILE  16          HD11      ILE  16  -0.571   1.125   0.085
  134   HD12  ILE  16          HD12      ILE  16   0.760   0.499  -0.884
  135   HD13  ILE  16          HD13      ILE  16   0.082  -0.478   0.415
  136    H    ALA  17           H        ALA  17  -5.232   0.002  -0.075
  137    HA   ALA  17           HA       ALA  17  -6.297  -2.146   1.359
  138    HB1  ALA  17           HB1      ALA  17  -8.155  -0.612   1.913
  139    HB2  ALA  17           HB2      ALA  17  -7.609   0.491   0.650
  140    HB3  ALA  17           HB3      ALA  17  -6.585   0.180   2.052
  141    H    LEU  18           H        LEU  18  -7.124  -0.940  -1.832
  142    HA   LEU  18           HA       LEU  18  -9.677  -2.073  -2.131
  143    HB2  LEU  18           HB2      LEU  18  -8.633  -0.406  -3.681
  144    HB3  LEU  18           HB3      LEU  18  -7.596  -1.688  -4.298
  145    HG   LEU  18           HG       LEU  18  -9.692  -2.988  -4.893
  146   HD11  LEU  18          HD11      LEU  18 -11.754  -1.451  -5.137
  147   HD12  LEU  18          HD12      LEU  18 -10.948  -0.390  -3.983
  148   HD13  LEU  18          HD13      LEU  18 -11.378  -2.037  -3.519
  149   HD21  LEU  18          HD21      LEU  18 -10.191  -1.606  -6.895
  150   HD22  LEU  18          HD22      LEU  18  -8.457  -1.711  -6.595
  151   HD23  LEU  18          HD23      LEU  18  -9.339  -0.248  -6.159
  152    H    LEU  19           H        LEU  19  -6.452  -3.508  -2.597
  153    HA   LEU  19           HA       LEU  19  -7.315  -5.884  -3.878
  154    HB2  LEU  19           HB2      LEU  19  -4.854  -5.002  -2.443
  155    HB3  LEU  19           HB3      LEU  19  -5.072  -6.726  -2.698
  156    HG   LEU  19           HG       LEU  19  -4.963  -6.539  -5.027
  157   HD11  LEU  19          HD11      LEU  19  -5.726  -3.632  -4.684
  158   HD12  LEU  19          HD12      LEU  19  -6.618  -4.897  -5.532
  159   HD13  LEU  19          HD13      LEU  19  -5.109  -4.278  -6.204
  160   HD21  LEU  19          HD21      LEU  19  -2.993  -5.194  -5.536
  161   HD22  LEU  19          HD22      LEU  19  -2.796  -5.928  -3.945
  162   HD23  LEU  19          HD23      LEU  19  -3.240  -4.228  -4.083
  163    HA   PRO  20           HA       PRO  20  -9.203  -7.679  -0.192
  164    HB2  PRO  20           HB2      PRO  20 -10.717  -9.496  -1.403
  165    HB3  PRO  20           HB3      PRO  20 -11.006  -7.763  -1.669
  166    HG2  PRO  20           HG2      PRO  20  -9.558  -9.716  -3.410
  167    HG3  PRO  20           HG3      PRO  20 -10.756  -8.492  -3.860
  168    HD2  PRO  20           HD2      PRO  20  -8.004  -8.150  -4.051
  169    HD3  PRO  20           HD3      PRO  20  -9.186  -6.825  -3.956
  170    H    ASN  21           H        ASN  21  -7.309  -9.631  -2.503
  171    HA   ASN  21           HA       ASN  21  -7.424 -11.992  -0.830
  172    HB2  ASN  21           HB2      ASN  21  -6.006 -13.010  -2.574
  173    HB3  ASN  21           HB3      ASN  21  -7.448 -12.249  -3.235
  174   HD21  ASN  21          HD21      ASN  21  -5.643 -12.535  -5.142
  175   HD22  ASN  21          HD22      ASN  21  -4.759 -11.109  -5.434
  176    H    LEU  22           H        LEU  22  -5.621  -9.234  -0.484
  177    HA   LEU  22           HA       LEU  22  -3.059 -10.401   0.100
  178    HB2  LEU  22           HB2      LEU  22  -4.173  -7.776   1.107
  179    HB3  LEU  22           HB3      LEU  22  -2.485  -8.282   1.157
  180    HG   LEU  22           HG       LEU  22  -3.955  -8.131  -1.466
  181   HD11  LEU  22          HD11      LEU  22  -4.260  -5.926  -0.491
  182   HD12  LEU  22          HD12      LEU  22  -2.950  -5.812  -1.666
  183   HD13  LEU  22          HD13      LEU  22  -2.585  -5.886   0.055
  184   HD21  LEU  22          HD21      LEU  22  -1.736  -7.920  -2.364
  185   HD22  LEU  22          HD22      LEU  22  -1.679  -9.240  -1.203
  186   HD23  LEU  22          HD23      LEU  22  -1.042  -7.655  -0.764
  187    H    ASN  23           H        ASN  23  -2.304 -11.246   1.947
  188    HA   ASN  23           HA       ASN  23  -4.000 -12.261   3.936
  189    HB2  ASN  23           HB2      ASN  23  -1.658 -13.034   3.537
  190    HB3  ASN  23           HB3      ASN  23  -1.072 -11.554   4.286
  191   HD21  ASN  23          HD21      ASN  23  -2.892 -14.556   4.962
  192   HD22  ASN  23          HD22      ASN  23  -2.659 -14.504   6.645
  193    H    ASN  24           H        ASN  24  -4.627 -11.575   5.974
  194    HA   ASN  24           HA       ASN  24  -5.311  -8.958   6.433
  195    HB2  ASN  24           HB2      ASN  24  -4.679 -11.084   8.496
  196    HB3  ASN  24           HB3      ASN  24  -5.554  -9.589   8.827
  197   HD21  ASN  24          HD21      ASN  24  -7.782  -9.496   8.232
  198   HD22  ASN  24          HD22      ASN  24  -8.601 -10.794   7.502
  199    H    GLN  25           H        GLN  25  -2.293 -10.549   7.462
  200    HA   GLN  25           HA       GLN  25  -1.320  -8.331   8.984
  201    HB2  GLN  25           HB2      GLN  25   0.126 -10.670   7.708
  202    HB3  GLN  25           HB3      GLN  25   0.890  -9.506   8.792
  203    HG2  GLN  25           HG2      GLN  25  -0.691 -10.099  10.579
  204    HG3  GLN  25           HG3      GLN  25  -1.506 -11.231   9.505
  205   HE21  GLN  25          HE21      GLN  25  -0.160 -11.916  12.045
  206   HE22  GLN  25          HE22      GLN  25   1.085 -12.999  11.651
  207    H    GLN  26           H        GLN  26  -0.794  -9.416   5.652
  208    HA   GLN  26           HA       GLN  26   1.159  -7.516   4.928
  209    HB2  GLN  26           HB2      GLN  26  -0.840  -9.034   3.240
  210    HB3  GLN  26           HB3      GLN  26   0.509  -8.104   2.588
  211    HG2  GLN  26           HG2      GLN  26   2.112  -9.500   3.803
  212    HG3  GLN  26           HG3      GLN  26   0.801 -10.393   4.567
  213   HE21  GLN  26          HE21      GLN  26  -0.912 -10.789   2.315
  214   HE22  GLN  26          HE22      GLN  26  -0.107 -11.779   1.193
  215    H    LYS  27           H        LYS  27  -2.389  -7.378   4.788
  216    HA   LYS  27           HA       LYS  27  -2.725  -5.105   3.191
  217    HB2  LYS  27           HB2      LYS  27  -4.368  -6.085   5.544
  218    HB3  LYS  27           HB3      LYS  27  -4.890  -4.814   4.437
  219    HG2  LYS  27           HG2      LYS  27  -4.808  -6.339   2.555
  220    HG3  LYS  27           HG3      LYS  27  -4.134  -7.615   3.561
  221    HD2  LYS  27           HD2      LYS  27  -6.214  -8.275   4.135
  222    HD3  LYS  27           HD3      LYS  27  -6.522  -6.692   4.843
  223    HE2  LYS  27           HE2      LYS  27  -8.209  -6.973   3.187
  224    HE3  LYS  27           HE3      LYS  27  -7.023  -5.886   2.463
  225    HZ1  LYS  27           HZ1      LYS  27  -7.808  -8.514   1.651
  226    HZ2  LYS  27           HZ2      LYS  27  -6.125  -8.406   1.855
  227    HZ3  LYS  27           HZ3      LYS  27  -6.925  -7.338   0.795
  228    H    ARG  28           H        ARG  28  -2.601  -5.253   6.752
  229    HA   ARG  28           HA       ARG  28  -2.521  -2.409   7.088
  230    HB2  ARG  28           HB2      ARG  28  -1.892  -4.670   9.006
  231    HB3  ARG  28           HB3      ARG  28  -1.997  -2.971   9.466
  232    HG2  ARG  28           HG2      ARG  28  -4.348  -2.926   8.581
  233    HG3  ARG  28           HG3      ARG  28  -4.230  -4.660   8.283
  234    HD2  ARG  28           HD2      ARG  28  -3.930  -3.308  10.985
  235    HD3  ARG  28           HD3      ARG  28  -5.345  -4.205  10.438
  236    HE   ARG  28           HE       ARG  28  -3.096  -5.887  10.213
  237   HH11  ARG  28          HH11      ARG  28  -5.014  -4.321  12.653
  238   HH12  ARG  28          HH12      ARG  28  -4.704  -5.530  13.851
  239   HH21  ARG  28          HH21      ARG  28  -2.704  -7.455  11.788
  240   HH22  ARG  28          HH22      ARG  28  -3.402  -7.296  13.364
  241    H    ALA  29           H        ALA  29  -0.082  -4.928   6.817
  242    HA   ALA  29           HA       ALA  29   2.130  -3.635   7.904
  243    HB1  ALA  29           HB1      ALA  29   3.479  -5.126   6.413
  244    HB2  ALA  29           HB2      ALA  29   1.979  -5.614   5.627
  245    HB3  ALA  29           HB3      ALA  29   2.235  -5.968   7.335
  246    H    PHE  30           H        PHE  30   1.098  -3.588   4.442
  247    HA   PHE  30           HA       PHE  30   3.228  -1.956   3.570
  248    HB2  PHE  30           HB2      PHE  30   0.478  -2.473   2.452
  249    HB3  PHE  30           HB3      PHE  30   1.604  -1.373   1.660
  250    HD1  PHE  30           HD1      PHE  30   4.117  -2.360   1.511
  251    HD2  PHE  30           HD2      PHE  30   0.530  -4.711   1.729
  252    HE1  PHE  30           HE1      PHE  30   5.311  -4.263   0.481
  253    HE2  PHE  30           HE2      PHE  30   1.727  -6.619   0.700
  254    HZ   PHE  30           HZ       PHE  30   4.123  -6.395   0.072
  255    H    ILE  31           H        ILE  31  -0.132  -0.934   4.309
  256    HA   ILE  31           HA       ILE  31   0.277   1.798   3.936
  257    HB   ILE  31           HB       ILE  31  -1.725   0.327   5.667
  258   HG12  ILE  31          HG12      ILE  31  -1.856   1.688   2.941
  259   HG13  ILE  31          HG13      ILE  31  -1.880  -0.047   3.229
  260   HG21  ILE  31          HG21      ILE  31  -2.976   2.497   5.702
  261   HG22  ILE  31          HG22      ILE  31  -1.572   3.289   4.985
  262   HG23  ILE  31          HG23      ILE  31  -1.461   2.580   6.596
  263   HD11  ILE  31          HD11      ILE  31  -3.985   1.354   4.721
  264   HD12  ILE  31          HD12      ILE  31  -4.102  -0.039   3.648
  265   HD13  ILE  31          HD13      ILE  31  -4.115   1.592   2.977
  266    H    ARG  32           H        ARG  32   0.859  -0.176   6.854
  267    HA   ARG  32           HA       ARG  32   1.433   2.035   8.575
  268    HB2  ARG  32           HB2      ARG  32   2.241  -0.883   8.668
  269    HB3  ARG  32           HB3      ARG  32   2.699   0.270   9.918
  270    HG2  ARG  32           HG2      ARG  32  -0.193  -0.016   9.093
  271    HG3  ARG  32           HG3      ARG  32   0.520  -1.136  10.250
  272    HD2  ARG  32           HD2      ARG  32   0.553   1.885  10.550
  273    HD3  ARG  32           HD3      ARG  32  -0.612   0.825  11.333
  274    HE   ARG  32           HE       ARG  32   2.135   1.243  12.117
  275   HH11  ARG  32          HH11      ARG  32  -0.512  -1.013  12.128
  276   HH12  ARG  32          HH12      ARG  32   0.056  -1.862  13.526
  277   HH21  ARG  32          HH21      ARG  32   2.857   0.124  13.935
  278   HH22  ARG  32          HH22      ARG  32   1.953  -1.221  14.543
  279    H    SER  33           H        SER  33   3.401  -0.025   6.468
  280    HA   SER  33           HA       SER  33   5.940   1.045   7.108
  281    HB2  SER  33           HB2      SER  33   5.517  -1.073   5.807
  282    HB3  SER  33           HB3      SER  33   5.084  -0.071   4.425
  283    HG   SER  33           HG       SER  33   7.267   0.960   5.006
  284    H    LEU  34           H        LEU  34   3.355   2.128   5.005
  285    HA   LEU  34           HA       LEU  34   4.657   3.942   3.340
  286    HB2  LEU  34           HB2      LEU  34   1.986   3.312   3.974
  287    HB3  LEU  34           HB3      LEU  34   2.130   5.022   4.334
  288    HG   LEU  34           HG       LEU  34   1.437   4.883   2.067
  289   HD11  LEU  34          HD11      LEU  34   3.568   6.321   2.683
  290   HD12  LEU  34          HD12      LEU  34   3.065   6.150   1.001
  291   HD13  LEU  34          HD13      LEU  34   4.394   5.176   1.624
  292   HD21  LEU  34          HD21      LEU  34   2.272   3.367   0.460
  293   HD22  LEU  34          HD22      LEU  34   2.194   2.403   1.939
  294   HD23  LEU  34          HD23      LEU  34   3.738   3.055   1.382
  295    H    TYR  35           H        TYR  35   3.235   4.496   6.551
  296    HA   TYR  35           HA       TYR  35   4.060   7.194   6.832
  297    HB2  TYR  35           HB2      TYR  35   2.269   6.099   8.191
  298    HB3  TYR  35           HB3      TYR  35   3.513   5.167   9.023
  299    HD1  TYR  35           HD1      TYR  35   2.185   8.586   8.428
  300    HD2  TYR  35           HD2      TYR  35   4.941   6.188  10.698
  301    HE1  TYR  35           HE1      TYR  35   2.572  10.486   9.972
  302    HE2  TYR  35           HE2      TYR  35   5.324   8.091  12.239
  303    HH   TYR  35           HH       TYR  35   4.829  11.055  11.657
  304    H    ASP  36           H        ASP  36   5.541   4.096   7.726
  305    HA   ASP  36           HA       ASP  36   7.672   5.032   9.278
  306    HB2  ASP  36           HB2      ASP  36   7.018   2.636   8.990
  307    HB3  ASP  36           HB3      ASP  36   7.759   2.666   7.392
  308    H    ASP  37           H        ASP  37   7.400   4.791   5.736
  309    HA   ASP  37           HA       ASP  37   9.505   6.738   5.401
  310    HB2  ASP  37           HB2      ASP  37  10.262   3.998   5.452
  311    HB3  ASP  37           HB3      ASP  37  10.357   4.514   3.773
  312    HA   PRO  38           HA       PRO  38   6.421   7.054   2.013
  313    HB2  PRO  38           HB2      PRO  38   7.185   9.566   1.171
  314    HB3  PRO  38           HB3      PRO  38   6.063   9.275   2.515
  315    HG2  PRO  38           HG2      PRO  38   8.984   9.883   2.591
  316    HG3  PRO  38           HG3      PRO  38   7.673  10.515   3.602
  317    HD2  PRO  38           HD2      PRO  38   9.318   8.572   4.495
  318    HD3  PRO  38           HD3      PRO  38   7.596   8.609   4.941
  319    H    SER  39           H        SER  39   9.859   7.232   1.999
  320    HA   SER  39           HA       SER  39  10.437   7.611  -0.718
  321    HB2  SER  39           HB2      SER  39  12.602   6.639  -0.226
  322    HB3  SER  39           HB3      SER  39  12.111   7.644   1.134
  323    HG   SER  39           HG       SER  39  12.122   5.924   2.341
  324    H    GLN  40           H        GLN  40   9.337   4.745   1.027
  325    HA   GLN  40           HA       GLN  40   9.768   3.053  -1.342
  326    HB2  GLN  40           HB2      GLN  40   8.665   2.234   1.355
  327    HB3  GLN  40           HB3      GLN  40   9.295   1.181   0.095
  328    HG2  GLN  40           HG2      GLN  40  10.884   3.202   1.704
  329    HG3  GLN  40           HG3      GLN  40  10.958   1.453   1.874
  330   HE21  GLN  40          HE21      GLN  40  12.625   3.992   0.514
  331   HE22  GLN  40          HE22      GLN  40  13.391   3.166  -0.760
  332    H    SER  41           H        SER  41   7.402   5.145  -0.374
  333    HA   SER  41           HA       SER  41   4.970   3.913  -0.352
  334    HB2  SER  41           HB2      SER  41   4.050   5.917  -1.478
  335    HB3  SER  41           HB3      SER  41   5.185   6.324  -0.195
  336    HG   SER  41           HG       SER  41   6.636   6.950  -1.658
  337    H    ALA  42           H        ALA  42   6.691   4.812  -3.346
  338    HA   ALA  42           HA       ALA  42   4.791   3.700  -5.122
  339    HB1  ALA  42           HB1      ALA  42   6.536   5.334  -5.796
  340    HB2  ALA  42           HB2      ALA  42   6.548   3.893  -6.813
  341    HB3  ALA  42           HB3      ALA  42   7.767   4.094  -5.551
  342    H    ASN  43           H        ASN  43   7.663   2.376  -3.546
  343    HA   ASN  43           HA       ASN  43   7.721  -0.104  -4.965
  344    HB2  ASN  43           HB2      ASN  43   8.846   0.616  -2.246
  345    HB3  ASN  43           HB3      ASN  43   9.216  -0.856  -3.133
  346   HD21  ASN  43          HD21      ASN  43  11.321   0.792  -2.454
  347   HD22  ASN  43          HD22      ASN  43  11.920   1.590  -3.832
  348    H    LEU  44           H        LEU  44   6.504   0.787  -1.741
  349    HA   LEU  44           HA       LEU  44   5.601  -1.714  -0.889
  350    HB2  LEU  44           HB2      LEU  44   4.421   0.994  -0.327
  351    HB3  LEU  44           HB3      LEU  44   4.122  -0.441   0.623
  352    HG   LEU  44           HG       LEU  44   6.928   0.645   0.197
  353   HD11  LEU  44          HD11      LEU  44   4.876   1.391   2.283
  354   HD12  LEU  44          HD12      LEU  44   5.867   2.459   1.285
  355   HD13  LEU  44          HD13      LEU  44   6.608   1.537   2.590
  356   HD21  LEU  44          HD21      LEU  44   7.444  -0.651   2.195
  357   HD22  LEU  44          HD22      LEU  44   6.704  -1.700   0.987
  358   HD23  LEU  44          HD23      LEU  44   5.754  -1.126   2.358
  359    H    LEU  45           H        LEU  45   3.868   0.812  -2.715
  360    HA   LEU  45           HA       LEU  45   1.349  -0.456  -2.879
  361    HB2  LEU  45           HB2      LEU  45   1.453   1.832  -3.521
  362    HB3  LEU  45           HB3      LEU  45   2.777   1.543  -4.641
  363    HG   LEU  45           HG       LEU  45   1.261   0.273  -6.130
  364   HD11  LEU  45          HD11      LEU  45  -0.954   1.056  -4.208
  365   HD12  LEU  45          HD12      LEU  45  -0.272  -0.566  -4.323
  366   HD13  LEU  45          HD13      LEU  45  -1.125   0.127  -5.698
  367   HD21  LEU  45          HD21      LEU  45  -0.128   2.156  -6.879
  368   HD22  LEU  45          HD22      LEU  45   1.476   2.725  -6.418
  369   HD23  LEU  45          HD23      LEU  45   0.108   2.966  -5.330
  370    H    ALA  46           H        ALA  46   4.069  -0.428  -5.147
  371    HA   ALA  46           HA       ALA  46   3.043  -2.248  -7.050
  372    HB1  ALA  46           HB1      ALA  46   5.054  -0.820  -7.404
  373    HB2  ALA  46           HB2      ALA  46   5.354  -2.514  -7.792
  374    HB3  ALA  46           HB3      ALA  46   5.947  -1.838  -6.273
  375    H    GLU  47           H        GLU  47   4.932  -2.741  -4.111
  376    HA   GLU  47           HA       GLU  47   5.348  -5.528  -4.333
  377    HB2  GLU  47           HB2      GLU  47   5.301  -3.571  -2.026
  378    HB3  GLU  47           HB3      GLU  47   5.522  -5.308  -1.754
  379    HG2  GLU  47           HG2      GLU  47   7.239  -3.694  -3.668
  380    HG3  GLU  47           HG3      GLU  47   7.680  -3.974  -1.988
  381    H    ALA  48           H        ALA  48   2.701  -3.591  -2.997
  382    HA   ALA  48           HA       ALA  48   1.272  -5.727  -1.785
  383    HB1  ALA  48           HB1      ALA  48   0.071  -3.206  -2.960
  384    HB2  ALA  48           HB2      ALA  48   0.883  -3.252  -1.396
  385    HB3  ALA  48           HB3      ALA  48  -0.578  -4.203  -1.658
  386    H    LYS  49           H        LYS  49   1.183  -4.247  -5.001
  387    HA   LYS  49           HA       LYS  49  -0.968  -5.766  -6.045
  388    HB2  LYS  49           HB2      LYS  49   0.363  -3.650  -6.983
  389    HB3  LYS  49           HB3      LYS  49   1.266  -4.901  -7.837
  390    HG2  LYS  49           HG2      LYS  49  -1.030  -5.837  -8.550
  391    HG3  LYS  49           HG3      LYS  49  -1.698  -4.312  -7.978
  392    HD2  LYS  49           HD2      LYS  49   0.270  -3.309  -9.494
  393    HD3  LYS  49           HD3      LYS  49   0.068  -4.849 -10.329
  394    HE2  LYS  49           HE2      LYS  49  -2.421  -4.341 -10.441
  395    HE3  LYS  49           HE3      LYS  49  -2.037  -2.719  -9.856
  396    HZ1  LYS  49           HZ1      LYS  49  -0.513  -2.483 -11.755
  397    HZ2  LYS  49           HZ2      LYS  49  -2.123  -2.711 -12.241
  398    HZ3  LYS  49           HZ3      LYS  49  -1.017  -3.997 -12.338
  399    H    LYS  50           H        LYS  50   2.500  -6.335  -5.782
  400    HA   LYS  50           HA       LYS  50   2.767  -8.564  -7.470
  401    HB2  LYS  50           HB2      LYS  50   4.612  -7.225  -6.379
  402    HB3  LYS  50           HB3      LYS  50   4.256  -8.075  -4.879
  403    HG2  LYS  50           HG2      LYS  50   4.777 -10.225  -5.911
  404    HG3  LYS  50           HG3      LYS  50   4.987  -9.456  -7.484
  405    HD2  LYS  50           HD2      LYS  50   7.198  -9.697  -6.675
  406    HD3  LYS  50           HD3      LYS  50   6.799  -8.014  -6.335
  407    HE2  LYS  50           HE2      LYS  50   6.080  -8.787  -4.006
  408    HE3  LYS  50           HE3      LYS  50   6.825 -10.338  -4.389
  409    HZ1  LYS  50           HZ1      LYS  50   8.306  -7.799  -4.705
  410    HZ2  LYS  50           HZ2      LYS  50   8.921  -9.375  -4.556
  411    HZ3  LYS  50           HZ3      LYS  50   8.237  -8.597  -3.206
  412    H    LEU  51           H        LEU  51   2.044  -8.359  -3.987
  413    HA   LEU  51           HA       LEU  51   1.837 -11.148  -3.534
  414    HB2  LEU  51           HB2      LEU  51   0.947  -8.687  -2.072
  415    HB3  LEU  51           HB3      LEU  51   0.333 -10.252  -1.538
  416    HG   LEU  51           HG       LEU  51   3.292  -9.811  -2.014
  417   HD11  LEU  51          HD11      LEU  51   3.366  -9.506   0.544
  418   HD12  LEU  51          HD12      LEU  51   1.651  -9.111   0.423
  419   HD13  LEU  51          HD13      LEU  51   2.845  -8.128  -0.420
  420   HD21  LEU  51          HD21      LEU  51   2.651 -12.127  -1.787
  421   HD22  LEU  51          HD22      LEU  51   1.631 -11.772  -0.394
  422   HD23  LEU  51          HD23      LEU  51   3.384 -11.650  -0.259
  423    H    ASN  52           H        ASN  52  -0.533  -8.697  -4.491
  424    HA   ASN  52           HA       ASN  52  -2.857 -10.302  -4.330
  425    HB2  ASN  52           HB2      ASN  52  -3.135  -7.950  -4.572
  426    HB3  ASN  52           HB3      ASN  52  -2.136  -7.895  -6.016
  427   HD21  ASN  52          HD21      ASN  52  -5.294  -9.082  -4.801
  428   HD22  ASN  52          HD22      ASN  52  -6.043  -9.104  -6.326
  429    H    ASP  53           H        ASP  53  -0.646  -9.622  -7.037
  430    HA   ASP  53           HA       ASP  53  -1.956 -11.216  -8.967
  431    HB2  ASP  53           HB2      ASP  53  -0.229  -9.495  -9.452
  432    HB3  ASP  53           HB3      ASP  53   0.998 -10.560  -8.799
  433    H    ALA  54           H        ALA  54   0.564 -11.978  -6.600
  434    HA   ALA  54           HA       ALA  54   1.049 -14.599  -7.624
  435    HB1  ALA  54           HB1      ALA  54   1.754 -13.421  -4.927
  436    HB2  ALA  54           HB2      ALA  54   2.752 -13.338  -6.378
  437    HB3  ALA  54           HB3      ALA  54   2.429 -14.897  -5.620
  438    H    GLN  55           H        GLN  55  -0.621 -13.440  -4.673
  439    HA   GLN  55           HA       GLN  55  -1.435 -16.012  -3.786
  440    HB2  GLN  55           HB2      GLN  55  -2.571 -13.272  -3.139
  441    HB3  GLN  55           HB3      GLN  55  -3.005 -14.762  -2.307
  442    HG2  GLN  55           HG2      GLN  55  -0.828 -15.035  -1.408
  443    HG3  GLN  55           HG3      GLN  55  -0.123 -13.877  -2.536
  444   HE21  GLN  55          HE21      GLN  55  -1.721 -11.675  -2.358
  445   HE22  GLN  55          HE22      GLN  55  -1.783 -11.083  -0.773
  446    H    ALA  56           H        ALA  56  -2.852 -13.768  -6.073
  447    HA   ALA  56           HA       ALA  56  -5.511 -14.606  -6.049
  448    HB1  ALA  56           HB1      ALA  56  -3.762 -13.480  -8.227
  449    HB2  ALA  56           HB2      ALA  56  -5.057 -12.689  -7.328
  450    HB3  ALA  56           HB3      ALA  56  -5.445 -13.912  -8.539
  451    HA   PRO  57           HA       PRO  57  -5.433 -18.737  -7.649
  452    HB2  PRO  57           HB2      PRO  57  -7.925 -18.834  -8.830
  453    HB3  PRO  57           HB3      PRO  57  -7.649 -18.955  -7.084
  454    HG2  PRO  57           HG2      PRO  57  -8.533 -16.621  -8.700
  455    HG3  PRO  57           HG3      PRO  57  -9.036 -17.132  -7.080
  456    HD2  PRO  57           HD2      PRO  57  -7.279 -15.091  -7.520
  457    HD3  PRO  57           HD3      PRO  57  -7.258 -16.087  -6.050
  458    H    LYS  58           H        LYS  58  -5.396 -19.962  -9.612
  459    HA   LYS  58           HA       LYS  58  -4.855 -20.396 -11.784
  460    HB2  LYS  58           HB2      LYS  58  -6.324 -17.794 -12.321
  461    HB3  LYS  58           HB3      LYS  58  -5.805 -18.933 -13.558
  462    HG2  LYS  58           HG2      LYS  58  -7.164 -20.714 -12.414
  463    HG3  LYS  58           HG3      LYS  58  -7.780 -19.480 -11.317
  464    HD2  LYS  58           HD2      LYS  58  -8.030 -19.290 -14.336
  465    HD3  LYS  58           HD3      LYS  58  -9.278 -19.988 -13.305
  466    HE2  LYS  58           HE2      LYS  58  -9.465 -17.860 -12.069
  467    HE3  LYS  58           HE3      LYS  58  -8.206 -17.151 -13.081
  468    HZ1  LYS  58           HZ1      LYS  58  -9.616 -17.577 -15.022
  469    HZ2  LYS  58           HZ2      LYS  58 -10.369 -16.543 -13.909
  470    HZ3  LYS  58           HZ3      LYS  58 -10.838 -18.172 -14.005
  Start of MODEL   20
    1    H    VAL   1           H        VAL   1   6.240  20.296  -3.620
    2    HA   VAL   1           HA       VAL   1   4.387  20.457  -2.099
    3    HB   VAL   1           HB       VAL   1   6.856  19.297  -0.751
    4   HG11  VAL   1          HG11      VAL   1   5.263  17.765   0.309
    5   HG12  VAL   1          HG12      VAL   1   3.922  18.528  -0.544
    6   HG13  VAL   1          HG13      VAL   1   4.818  19.429   0.679
    7   HG21  VAL   1          HG21      VAL   1   6.715  18.423  -3.019
    8   HG22  VAL   1          HG22      VAL   1   4.984  18.128  -2.844
    9   HG23  VAL   1          HG23      VAL   1   6.140  17.174  -1.915
   10    H    ASP   2           H        ASP   2   3.466  21.914  -0.786
   11    HA   ASP   2           HA       ASP   2   4.971  23.924   0.585
   12    HB2  ASP   2           HB2      ASP   2   2.033  23.183   0.758
   13    HB3  ASP   2           HB3      ASP   2   2.753  24.620   1.483
   14    H    ASN   3           H        ASN   3   2.567  21.701   2.034
   15    HA   ASN   3           HA       ASN   3   4.052  21.743   4.552
   16    HB2  ASN   3           HB2      ASN   3   1.375  20.494   3.862
   17    HB3  ASN   3           HB3      ASN   3   2.070  20.611   5.476
   18   HD21  ASN   3          HD21      ASN   3   2.918  23.158   5.779
   19   HD22  ASN   3          HD22      ASN   3   1.686  24.282   5.459
   20    H    LYS   4           H        LYS   4   2.515  19.175   2.570
   21    HA   LYS   4           HA       LYS   4   4.828  17.502   2.517
   22    HB2  LYS   4           HB2      LYS   4   4.046  17.328   4.959
   23    HB3  LYS   4           HB3      LYS   4   2.625  16.503   4.336
   24    HG2  LYS   4           HG2      LYS   4   4.122  14.755   4.898
   25    HG3  LYS   4           HG3      LYS   4   4.276  14.907   3.151
   26    HD2  LYS   4           HD2      LYS   4   6.319  16.216   3.389
   27    HD3  LYS   4           HD3      LYS   4   6.127  16.265   5.141
   28    HE2  LYS   4           HE2      LYS   4   6.371  13.808   5.240
   29    HE3  LYS   4           HE3      LYS   4   6.559  13.755   3.486
   30    HZ1  LYS   4           HZ1      LYS   4   8.358  15.068   5.448
   31    HZ2  LYS   4           HZ2      LYS   4   8.486  15.282   3.771
   32    HZ3  LYS   4           HZ3      LYS   4   8.714  13.740   4.449
   33    H    PHE   5           H        PHE   5   4.502  15.645   1.205
   34    HA   PHE   5           HA       PHE   5   2.185  15.802  -0.536
   35    HB2  PHE   5           HB2      PHE   5   3.377  13.978  -1.821
   36    HB3  PHE   5           HB3      PHE   5   4.249  15.497  -1.676
   37    HD1  PHE   5           HD1      PHE   5   6.115  15.717   0.007
   38    HD2  PHE   5           HD2      PHE   5   4.249  11.942  -0.862
   39    HE1  PHE   5           HE1      PHE   5   8.031  14.532   1.033
   40    HE2  PHE   5           HE2      PHE   5   6.169  10.760   0.166
   41    HZ   PHE   5           HZ       PHE   5   8.061  12.057   1.110
   42    H    ASN   6           H        ASN   6   1.161  15.209   1.794
   43    HA   ASN   6           HA       ASN   6   0.944  12.523   2.597
   44    HB2  ASN   6           HB2      ASN   6  -1.151  14.705   2.761
   45    HB3  ASN   6           HB3      ASN   6  -1.129  13.218   3.708
   46   HD21  ASN   6          HD21      ASN   6  -0.505  16.402   4.091
   47   HD22  ASN   6          HD22      ASN   6   0.780  16.335   5.202
   48    H    LYS   7           H        LYS   7  -0.634  14.303   0.023
   49    HA   LYS   7           HA       LYS   7  -2.849  12.698  -0.520
   50    HB2  LYS   7           HB2      LYS   7  -1.093  14.146  -2.527
   51    HB3  LYS   7           HB3      LYS   7  -2.744  13.599  -2.809
   52    HG2  LYS   7           HG2      LYS   7  -1.939  15.608  -0.671
   53    HG3  LYS   7           HG3      LYS   7  -2.605  16.033  -2.245
   54    HD2  LYS   7           HD2      LYS   7  -4.625  14.603  -1.674
   55    HD3  LYS   7           HD3      LYS   7  -3.977  14.465  -0.039
   56    HE2  LYS   7           HE2      LYS   7  -5.574  16.291  -0.068
   57    HE3  LYS   7           HE3      LYS   7  -3.958  16.976   0.103
   58    HZ1  LYS   7           HZ1      LYS   7  -4.619  16.662  -2.635
   59    HZ2  LYS   7           HZ2      LYS   7  -4.209  18.074  -1.792
   60    HZ3  LYS   7           HZ3      LYS   7  -5.826  17.560  -1.848
   61    H    GLU   8           H        GLU   8   0.535  12.218  -1.393
   62    HA   GLU   8           HA       GLU   8   0.206  10.161  -3.296
   63    HB2  GLU   8           HB2      GLU   8   2.329  11.413  -2.856
   64    HB3  GLU   8           HB3      GLU   8   2.499  10.520  -1.346
   65    HG2  GLU   8           HG2      GLU   8   2.517   8.387  -2.615
   66    HG3  GLU   8           HG3      GLU   8   2.371   9.290  -4.122
   67    H    MET   9           H        MET   9   0.599  10.053   0.242
   68    HA   MET   9           HA       MET   9   0.609   7.229   0.499
   69    HB2  MET   9           HB2      MET   9  -0.106   9.445   2.433
   70    HB3  MET   9           HB3      MET   9  -0.113   7.744   2.891
   71    HG2  MET   9           HG2      MET   9   2.127   7.745   3.126
   72    HG3  MET   9           HG3      MET   9   2.342   8.366   1.491
   73    HE1  MET   9           HE1      MET   9   4.535  10.906   2.666
   74    HE2  MET   9           HE2      MET   9   3.504  11.009   1.232
   75    HE3  MET   9           HE3      MET   9   4.159   9.450   1.745
   76    H    ARG  10           H        ARG  10  -1.979   9.638   0.463
   77    HA   ARG  10           HA       ARG  10  -4.124   7.987   1.238
   78    HB2  ARG  10           HB2      ARG  10  -4.210  10.482   1.024
   79    HB3  ARG  10           HB3      ARG  10  -4.234  10.293  -0.729
   80    HG2  ARG  10           HG2      ARG  10  -6.311   8.924  -0.530
   81    HG3  ARG  10           HG3      ARG  10  -6.299   9.194   1.212
   82    HD2  ARG  10           HD2      ARG  10  -6.439  11.388  -0.882
   83    HD3  ARG  10           HD3      ARG  10  -7.822  10.760   0.011
   84    HE   ARG  10           HE       ARG  10  -5.858  11.571   1.867
   85   HH11  ARG  10          HH11      ARG  10  -8.023  12.927  -0.492
   86   HH12  ARG  10          HH12      ARG  10  -8.178  14.439   0.334
   87   HH21  ARG  10          HH21      ARG  10  -6.072  13.551   2.930
   88   HH22  ARG  10          HH22      ARG  10  -7.079  14.790   2.262
   89    H    ASN  11           H        ASN  11  -2.634   8.548  -1.929
   90    HA   ASN  11           HA       ASN  11  -4.536   7.112  -3.474
   91    HB2  ASN  11           HB2      ASN  11  -1.602   7.641  -4.028
   92    HB3  ASN  11           HB3      ASN  11  -2.770   7.056  -5.210
   93   HD21  ASN  11          HD21      ASN  11  -1.204   9.746  -4.857
   94   HD22  ASN  11          HD22      ASN  11  -2.414  10.918  -5.057
   95    H    ALA  12           H        ALA  12  -1.283   6.100  -2.304
   96    HA   ALA  12           HA       ALA  12  -1.553   3.413  -3.176
   97    HB1  ALA  12           HB1      ALA  12   0.181   4.389  -0.892
   98    HB2  ALA  12           HB2      ALA  12   0.624   4.514  -2.595
   99    HB3  ALA  12           HB3      ALA  12   0.411   2.928  -1.856
  100    H    TYR  13           H        TYR  13  -2.456   5.028  -0.172
  101    HA   TYR  13           HA       TYR  13  -2.944   2.828   1.496
  102    HB2  TYR  13           HB2      TYR  13  -2.965   5.178   2.251
  103    HB3  TYR  13           HB3      TYR  13  -4.425   5.478   1.321
  104    HD1  TYR  13           HD1      TYR  13  -6.574   4.307   1.967
  105    HD2  TYR  13           HD2      TYR  13  -3.049   4.159   4.427
  106    HE1  TYR  13           HE1      TYR  13  -7.949   3.583   3.896
  107    HE2  TYR  13           HE2      TYR  13  -4.435   3.440   6.356
  108    HH   TYR  13           HH       TYR  13  -7.112   2.107   6.299
  109    H    TRP  14           H        TRP  14  -5.222   4.552  -0.628
  110    HA   TRP  14           HA       TRP  14  -7.444   2.881  -0.187
  111    HB2  TRP  14           HB2      TRP  14  -7.458   5.177  -1.202
  112    HB3  TRP  14           HB3      TRP  14  -6.805   4.465  -2.672
  113    HD1  TRP  14           HD1      TRP  14  -9.892   4.160  -0.375
  114    HE1  TRP  14           HE1      TRP  14 -11.893   3.379  -1.799
  115    HE3  TRP  14           HE3      TRP  14  -7.558   3.436  -4.865
  116    HZ2  TRP  14           HZ2      TRP  14 -12.436   2.559  -4.482
  117    HZ3  TRP  14           HZ3      TRP  14  -8.843   2.657  -6.835
  118    HH2  TRP  14           HH2      TRP  14 -11.277   2.217  -6.651
  119    H    GLU  15           H        GLU  15  -4.984   2.833  -2.782
  120    HA   GLU  15           HA       GLU  15  -6.096   0.749  -4.306
  121    HB2  GLU  15           HB2      GLU  15  -3.235   1.679  -4.004
  122    HB3  GLU  15           HB3      GLU  15  -3.747   0.480  -5.192
  123    HG2  GLU  15           HG2      GLU  15  -5.336   2.103  -6.162
  124    HG3  GLU  15           HG3      GLU  15  -4.841   3.306  -4.976
  125    H    ILE  16           H        ILE  16  -3.748   0.609  -1.627
  126    HA   ILE  16           HA       ILE  16  -3.206  -2.164  -1.800
  127    HB   ILE  16           HB       ILE  16  -3.093  -0.244   0.543
  128   HG12  ILE  16          HG12      ILE  16  -0.812  -1.466  -1.026
  129   HG13  ILE  16          HG13      ILE  16  -1.570   0.038  -1.527
  130   HG21  ILE  16          HG21      ILE  16  -3.245  -2.409   1.551
  131   HG22  ILE  16          HG22      ILE  16  -1.522  -2.046   1.498
  132   HG23  ILE  16          HG23      ILE  16  -2.228  -3.141   0.310
  133   HD11  ILE  16          HD11      ILE  16  -0.344  -0.455   1.205
  134   HD12  ILE  16          HD12      ILE  16  -1.030   1.066   0.633
  135   HD13  ILE  16          HD13      ILE  16   0.436   0.426  -0.108
  136    H    ALA  17           H        ALA  17  -5.455  -0.392   0.336
  137    HA   ALA  17           HA       ALA  17  -6.616  -2.616   1.585
  138    HB1  ALA  17           HB1      ALA  17  -6.899  -0.344   2.430
  139    HB2  ALA  17           HB2      ALA  17  -8.477  -1.081   2.142
  140    HB3  ALA  17           HB3      ALA  17  -7.830   0.096   0.997
  141    H    LEU  18           H        LEU  18  -7.276  -1.159  -1.543
  142    HA   LEU  18           HA       LEU  18  -9.815  -2.256  -2.049
  143    HB2  LEU  18           HB2      LEU  18  -8.707  -0.482  -3.422
  144    HB3  LEU  18           HB3      LEU  18  -7.628  -1.709  -4.073
  145    HG   LEU  18           HG       LEU  18  -9.688  -2.975  -4.861
  146   HD11  LEU  18          HD11      LEU  18 -11.446  -2.097  -3.525
  147   HD12  LEU  18          HD12      LEU  18 -11.731  -1.421  -5.127
  148   HD13  LEU  18          HD13      LEU  18 -10.990  -0.428  -3.872
  149   HD21  LEU  18          HD21      LEU  18  -8.358  -1.609  -6.411
  150   HD22  LEU  18          HD22      LEU  18  -9.251  -0.165  -5.933
  151   HD23  LEU  18          HD23      LEU  18 -10.072  -1.464  -6.798
  152    H    LEU  19           H        LEU  19  -6.566  -3.645  -2.455
  153    HA   LEU  19           HA       LEU  19  -7.365  -5.934  -3.932
  154    HB2  LEU  19           HB2      LEU  19  -4.963  -5.119  -2.369
  155    HB3  LEU  19           HB3      LEU  19  -5.155  -6.831  -2.712
  156    HG   LEU  19           HG       LEU  19  -4.971  -6.530  -5.029
  157   HD11  LEU  19          HD11      LEU  19  -5.788  -3.656  -4.562
  158   HD12  LEU  19          HD12      LEU  19  -6.612  -4.880  -5.528
  159   HD13  LEU  19          HD13      LEU  19  -5.086  -4.198  -6.086
  160   HD21  LEU  19          HD21      LEU  19  -2.850  -5.937  -3.816
  161   HD22  LEU  19          HD22      LEU  19  -3.301  -4.238  -3.951
  162   HD23  LEU  19          HD23      LEU  19  -2.986  -5.185  -5.404
  163    HA   PRO  20           HA       PRO  20  -9.406  -7.962  -0.454
  164    HB2  PRO  20           HB2      PRO  20 -10.804  -9.749  -1.838
  165    HB3  PRO  20           HB3      PRO  20 -11.118  -8.012  -2.039
  166    HG2  PRO  20           HG2      PRO  20  -9.519  -9.846  -3.779
  167    HG3  PRO  20           HG3      PRO  20 -10.724  -8.635  -4.243
  168    HD2  PRO  20           HD2      PRO  20  -7.985  -8.201  -4.267
  169    HD3  PRO  20           HD3      PRO  20  -9.210  -6.917  -4.154
  170    H    ASN  21           H        ASN  21  -7.223  -9.677  -2.659
  171    HA   ASN  21           HA       ASN  21  -7.403 -12.148  -1.125
  172    HB2  ASN  21           HB2      ASN  21  -5.876 -13.047  -2.837
  173    HB3  ASN  21           HB3      ASN  21  -7.304 -12.297  -3.540
  174   HD21  ASN  21          HD21      ASN  21  -5.374 -12.463  -5.341
  175   HD22  ASN  21          HD22      ASN  21  -4.534 -10.999  -5.539
  176    H    LEU  22           H        LEU  22  -5.722  -9.345  -0.586
  177    HA   LEU  22           HA       LEU  22  -3.153 -10.463   0.086
  178    HB2  LEU  22           HB2      LEU  22  -4.369  -7.873   1.074
  179    HB3  LEU  22           HB3      LEU  22  -2.677  -8.354   1.207
  180    HG   LEU  22           HG       LEU  22  -4.018  -8.161  -1.484
  181   HD11  LEU  22          HD11      LEU  22  -2.672  -5.963   0.127
  182   HD12  LEU  22          HD12      LEU  22  -4.340  -5.976  -0.441
  183   HD13  LEU  22          HD13      LEU  22  -3.015  -5.849  -1.597
  184   HD21  LEU  22          HD21      LEU  22  -1.839  -9.305  -1.347
  185   HD22  LEU  22          HD22      LEU  22  -1.147  -7.911  -0.515
  186   HD23  LEU  22          HD23      LEU  22  -1.675  -7.772  -2.194
  187    H    ASN  23           H        ASN  23  -2.431 -11.230   1.988
  188    HA   ASN  23           HA       ASN  23  -4.262 -12.235   3.917
  189    HB2  ASN  23           HB2      ASN  23  -1.941 -13.125   3.548
  190    HB3  ASN  23           HB3      ASN  23  -1.313 -11.691   4.354
  191   HD21  ASN  23          HD21      ASN  23  -3.041 -14.729   4.876
  192   HD22  ASN  23          HD22      ASN  23  -2.995 -14.664   6.573
  193    H    ASN  24           H        ASN  24  -4.810 -11.515   5.999
  194    HA   ASN  24           HA       ASN  24  -5.339  -8.832   6.395
  195    HB2  ASN  24           HB2      ASN  24  -5.085 -11.143   8.303
  196    HB3  ASN  24           HB3      ASN  24  -5.456  -9.528   8.900
  197   HD21  ASN  24          HD21      ASN  24  -6.846 -12.349   7.517
  198   HD22  ASN  24          HD22      ASN  24  -8.375 -11.694   7.172
  199    H    GLN  25           H        GLN  25  -2.508 -10.641   7.570
  200    HA   GLN  25           HA       GLN  25  -1.396  -8.487   9.072
  201    HB2  GLN  25           HB2      GLN  25  -0.142 -10.980   7.896
  202    HB3  GLN  25           HB3      GLN  25   0.713  -9.856   8.956
  203    HG2  GLN  25           HG2      GLN  25  -0.939 -10.227  10.728
  204    HG3  GLN  25           HG3      GLN  25  -1.858 -11.301   9.677
  205   HE21  GLN  25          HE21      GLN  25  -0.588 -12.008  12.273
  206   HE22  GLN  25          HE22      GLN  25   0.523 -13.244  11.931
  207    H    GLN  26           H        GLN  26  -1.004  -9.579   5.730
  208    HA   GLN  26           HA       GLN  26   1.197  -7.913   5.089
  209    HB2  GLN  26           HB2      GLN  26  -0.888  -9.234   3.345
  210    HB3  GLN  26           HB3      GLN  26   0.522  -8.382   2.713
  211    HG2  GLN  26           HG2      GLN  26   2.019  -9.897   3.942
  212    HG3  GLN  26           HG3      GLN  26   0.634 -10.734   4.636
  213   HE21  GLN  26          HE21      GLN  26  -1.049 -11.177   2.514
  214   HE22  GLN  26          HE22      GLN  26  -0.273 -12.074   1.299
  215    H    LYS  27           H        LYS  27  -2.306  -7.467   4.289
  216    HA   LYS  27           HA       LYS  27  -1.988  -4.990   3.021
  217    HB2  LYS  27           HB2      LYS  27  -4.387  -4.592   3.459
  218    HB3  LYS  27           HB3      LYS  27  -4.071  -6.205   2.835
  219    HG2  LYS  27           HG2      LYS  27  -4.233  -7.134   5.117
  220    HG3  LYS  27           HG3      LYS  27  -4.508  -5.520   5.761
  221    HD2  LYS  27           HD2      LYS  27  -6.645  -6.696   5.508
  222    HD3  LYS  27           HD3      LYS  27  -6.570  -5.318   4.415
  223    HE2  LYS  27           HE2      LYS  27  -5.545  -7.844   3.259
  224    HE3  LYS  27           HE3      LYS  27  -7.261  -7.866   3.656
  225    HZ1  LYS  27           HZ1      LYS  27  -7.601  -5.897   2.357
  226    HZ2  LYS  27           HZ2      LYS  27  -6.802  -7.042   1.392
  227    HZ3  LYS  27           HZ3      LYS  27  -5.937  -5.740   2.057
  228    H    ARG  28           H        ARG  28  -2.710  -5.599   6.451
  229    HA   ARG  28           HA       ARG  28  -2.772  -2.890   7.262
  230    HB2  ARG  28           HB2      ARG  28  -2.167  -5.433   8.797
  231    HB3  ARG  28           HB3      ARG  28  -2.336  -3.848   9.557
  232    HG2  ARG  28           HG2      ARG  28  -4.629  -3.650   8.643
  233    HG3  ARG  28           HG3      ARG  28  -4.464  -5.234   7.888
  234    HD2  ARG  28           HD2      ARG  28  -4.152  -6.269  10.109
  235    HD3  ARG  28           HD3      ARG  28  -4.295  -4.687  10.868
  236    HE   ARG  28           HE       ARG  28  -6.591  -4.858  10.652
  237   HH11  ARG  28          HH11      ARG  28  -5.069  -7.065   8.432
  238   HH12  ARG  28          HH12      ARG  28  -6.564  -7.802   7.954
  239   HH21  ARG  28          HH21      ARG  28  -8.519  -5.830  10.008
  240   HH22  ARG  28          HH22      ARG  28  -8.500  -7.105   8.838
  241    H    ALA  29           H        ALA  29  -0.136  -5.201   6.826
  242    HA   ALA  29           HA       ALA  29   1.867  -3.751   8.208
  243    HB1  ALA  29           HB1      ALA  29   3.457  -5.150   6.840
  244    HB2  ALA  29           HB2      ALA  29   2.054  -5.813   6.004
  245    HB3  ALA  29           HB3      ALA  29   2.248  -6.068   7.737
  246    H    PHE  30           H        PHE  30   1.258  -3.956   4.645
  247    HA   PHE  30           HA       PHE  30   3.196  -2.030   3.946
  248    HB2  PHE  30           HB2      PHE  30   0.721  -3.034   2.546
  249    HB3  PHE  30           HB3      PHE  30   1.732  -1.773   1.834
  250    HD1  PHE  30           HD1      PHE  30   4.142  -2.222   1.336
  251    HD2  PHE  30           HD2      PHE  30   1.489  -5.329   2.643
  252    HE1  PHE  30           HE1      PHE  30   5.774  -3.932   0.591
  253    HE2  PHE  30           HE2      PHE  30   3.119  -7.033   1.916
  254    HZ   PHE  30           HZ       PHE  30   5.264  -6.341   0.883
  255    H    ILE  31           H        ILE  31  -0.244  -1.648   4.751
  256    HA   ILE  31           HA       ILE  31  -0.556   1.082   4.150
  257    HB   ILE  31           HB       ILE  31  -1.856  -0.656   6.267
  258   HG12  ILE  31          HG12      ILE  31  -2.108  -1.088   3.699
  259   HG13  ILE  31          HG13      ILE  31  -3.553  -1.073   4.696
  260   HG21  ILE  31          HG21      ILE  31  -3.686   1.183   6.115
  261   HG22  ILE  31          HG22      ILE  31  -2.392   2.209   5.496
  262   HG23  ILE  31          HG23      ILE  31  -2.263   1.500   7.105
  263   HD11  ILE  31          HD11      ILE  31  -4.119   1.157   3.967
  264   HD12  ILE  31          HD12      ILE  31  -3.747   0.212   2.531
  265   HD13  ILE  31          HD13      ILE  31  -2.562   1.350   3.164
  266    H    ARG  32           H        ARG  32   0.629  -0.522   7.086
  267    HA   ARG  32           HA       ARG  32   1.052   1.899   8.582
  268    HB2  ARG  32           HB2      ARG  32   0.713  -0.359   9.618
  269    HB3  ARG  32           HB3      ARG  32   2.296  -0.836   9.006
  270    HG2  ARG  32           HG2      ARG  32   3.344   1.014  10.289
  271    HG3  ARG  32           HG3      ARG  32   1.758   1.467  10.915
  272    HD2  ARG  32           HD2      ARG  32   1.544  -0.823  11.901
  273    HD3  ARG  32           HD3      ARG  32   3.186  -1.172  11.362
  274    HE   ARG  32           HE       ARG  32   3.253   1.198  12.878
  275   HH11  ARG  32          HH11      ARG  32   2.606  -2.194  13.290
  276   HH12  ARG  32          HH12      ARG  32   3.118  -2.219  14.942
  277   HH21  ARG  32          HH21      ARG  32   3.918   1.144  15.035
  278   HH22  ARG  32          HH22      ARG  32   3.857  -0.338  15.925
  279    H    SER  33           H        SER  33   2.990  -0.148   6.460
  280    HA   SER  33           HA       SER  33   5.546   0.848   7.004
  281    HB2  SER  33           HB2      SER  33   4.472  -0.154   4.359
  282    HB3  SER  33           HB3      SER  33   6.172   0.055   4.761
  283    HG   SER  33           HG       SER  33   4.352  -1.557   6.234
  284    H    LEU  34           H        LEU  34   2.972   2.203   4.976
  285    HA   LEU  34           HA       LEU  34   4.399   4.068   3.481
  286    HB2  LEU  34           HB2      LEU  34   1.621   3.882   4.497
  287    HB3  LEU  34           HB3      LEU  34   2.160   5.510   4.130
  288    HG   LEU  34           HG       LEU  34   1.080   4.497   2.178
  289   HD11  LEU  34          HD11      LEU  34   4.009   4.541   1.484
  290   HD12  LEU  34          HD12      LEU  34   3.221   6.017   2.045
  291   HD13  LEU  34          HD13      LEU  34   2.642   5.203   0.593
  292   HD21  LEU  34          HD21      LEU  34   1.510   2.143   2.621
  293   HD22  LEU  34          HD22      LEU  34   3.246   2.387   2.445
  294   HD23  LEU  34          HD23      LEU  34   2.189   2.555   1.048
  295    H    TYR  35           H        TYR  35   2.971   4.563   6.711
  296    HA   TYR  35           HA       TYR  35   4.034   7.152   7.141
  297    HB2  TYR  35           HB2      TYR  35   2.147   6.147   8.436
  298    HB3  TYR  35           HB3      TYR  35   3.296   5.064   9.217
  299    HD1  TYR  35           HD1      TYR  35   2.289   8.617   8.809
  300    HD2  TYR  35           HD2      TYR  35   4.786   5.852  10.957
  301    HE1  TYR  35           HE1      TYR  35   2.829  10.383  10.462
  302    HE2  TYR  35           HE2      TYR  35   5.324   7.623  12.607
  303    HH   TYR  35           HH       TYR  35   5.182  10.577  12.241
  304    H    ASP  36           H        ASP  36   5.221   3.904   7.873
  305    HA   ASP  36           HA       ASP  36   7.445   4.606   9.452
  306    HB2  ASP  36           HB2      ASP  36   6.381   2.291   9.020
  307    HB3  ASP  36           HB3      ASP  36   7.416   2.230   7.596
  308    H    ASP  37           H        ASP  37   7.125   4.249   5.924
  309    HA   ASP  37           HA       ASP  37   9.526   5.871   5.515
  310    HB2  ASP  37           HB2      ASP  37   9.310   2.978   4.687
  311    HB3  ASP  37           HB3      ASP  37  10.326   4.105   3.793
  312    HA   PRO  38           HA       PRO  38   6.002   6.761   2.597
  313    HB2  PRO  38           HB2      PRO  38   6.674   9.450   2.355
  314    HB3  PRO  38           HB3      PRO  38   5.535   8.789   3.541
  315    HG2  PRO  38           HG2      PRO  38   8.384   9.561   3.882
  316    HG3  PRO  38           HG3      PRO  38   7.018   9.746   4.996
  317    HD2  PRO  38           HD2      PRO  38   8.879   7.801   5.310
  318    HD3  PRO  38           HD3      PRO  38   7.179   7.562   5.775
  319    H    SER  39           H        SER  39   9.429   7.376   2.478
  320    HA   SER  39           HA       SER  39   9.744   8.238  -0.175
  321    HB2  SER  39           HB2      SER  39  11.639   6.523   1.451
  322    HB3  SER  39           HB3      SER  39  12.059   7.493   0.041
  323    HG   SER  39           HG       SER  39  12.505   8.593   1.993
  324    H    GLN  40           H        GLN  40   9.290   5.006   1.178
  325    HA   GLN  40           HA       GLN  40   9.827   3.696  -1.385
  326    HB2  GLN  40           HB2      GLN  40   8.823   2.482   1.205
  327    HB3  GLN  40           HB3      GLN  40   9.495   1.617  -0.174
  328    HG2  GLN  40           HG2      GLN  40  10.989   3.609   1.555
  329    HG3  GLN  40           HG3      GLN  40  11.162   1.863   1.633
  330   HE21  GLN  40          HE21      GLN  40  12.638   4.563   0.346
  331   HE22  GLN  40          HE22      GLN  40  13.417   3.839  -0.979
  332    H    SER  41           H        SER  41   7.310   5.473  -0.461
  333    HA   SER  41           HA       SER  41   4.957   4.113  -0.468
  334    HB2  SER  41           HB2      SER  41   3.997   6.063  -1.730
  335    HB3  SER  41           HB3      SER  41   4.964   6.499  -0.327
  336    HG   SER  41           HG       SER  41   5.700   7.763  -1.967
  337    H    ALA  42           H        ALA  42   6.738   4.998  -3.424
  338    HA   ALA  42           HA       ALA  42   4.900   3.849  -5.249
  339    HB1  ALA  42           HB1      ALA  42   6.733   4.002  -6.881
  340    HB2  ALA  42           HB2      ALA  42   7.882   4.294  -5.575
  341    HB3  ALA  42           HB3      ALA  42   6.624   5.479  -5.923
  342    H    ASN  43           H        ASN  43   7.752   2.569  -3.598
  343    HA   ASN  43           HA       ASN  43   7.795   0.052  -4.963
  344    HB2  ASN  43           HB2      ASN  43   8.982   0.857  -2.295
  345    HB3  ASN  43           HB3      ASN  43   9.319  -0.654  -3.131
  346   HD21  ASN  43          HD21      ASN  43  11.454   1.024  -2.576
  347   HD22  ASN  43          HD22      ASN  43  12.018   1.751  -4.006
  348    H    LEU  44           H        LEU  44   6.567   1.058  -1.769
  349    HA   LEU  44           HA       LEU  44   5.692  -1.442  -0.858
  350    HB2  LEU  44           HB2      LEU  44   4.500   1.265  -0.341
  351    HB3  LEU  44           HB3      LEU  44   4.178  -0.160   0.616
  352    HG   LEU  44           HG       LEU  44   6.955   1.036   0.247
  353   HD11  LEU  44          HD11      LEU  44   5.440   2.581   1.477
  354   HD12  LEU  44          HD12      LEU  44   6.712   1.933   2.511
  355   HD13  LEU  44          HD13      LEU  44   5.076   1.286   2.616
  356   HD21  LEU  44          HD21      LEU  44   7.006  -1.339   0.820
  357   HD22  LEU  44          HD22      LEU  44   5.861  -1.073   2.136
  358   HD23  LEU  44          HD23      LEU  44   7.484  -0.389   2.224
  359    H    LEU  45           H        LEU  45   3.965   1.024  -2.775
  360    HA   LEU  45           HA       LEU  45   1.450  -0.266  -2.890
  361    HB2  LEU  45           HB2      LEU  45   1.608   2.037  -3.546
  362    HB3  LEU  45           HB3      LEU  45   2.834   1.674  -4.752
  363    HG   LEU  45           HG       LEU  45   1.167   0.380  -6.065
  364   HD11  LEU  45          HD11      LEU  45  -0.316  -0.429  -4.347
  365   HD12  LEU  45          HD12      LEU  45  -1.264   0.625  -5.392
  366   HD13  LEU  45          HD13      LEU  45  -0.702   1.210  -3.825
  367   HD21  LEU  45          HD21      LEU  45  -0.196   2.282  -6.809
  368   HD22  LEU  45          HD22      LEU  45   1.457   2.806  -6.491
  369   HD23  LEU  45          HD23      LEU  45   0.182   3.157  -5.323
  370    H    ALA  46           H        ALA  46   4.215  -0.308  -5.107
  371    HA   ALA  46           HA       ALA  46   3.175  -2.138  -7.008
  372    HB1  ALA  46           HB1      ALA  46   5.507  -2.443  -7.701
  373    HB2  ALA  46           HB2      ALA  46   6.068  -1.697  -6.204
  374    HB3  ALA  46           HB3      ALA  46   5.187  -0.737  -7.391
  375    H    GLU  47           H        GLU  47   5.064  -2.559  -4.077
  376    HA   GLU  47           HA       GLU  47   5.477  -5.352  -4.207
  377    HB2  GLU  47           HB2      GLU  47   5.444  -3.338  -1.949
  378    HB3  GLU  47           HB3      GLU  47   5.678  -5.071  -1.654
  379    HG2  GLU  47           HG2      GLU  47   7.364  -3.490  -3.625
  380    HG3  GLU  47           HG3      GLU  47   7.833  -3.722  -1.945
  381    H    ALA  48           H        ALA  48   2.838  -3.391  -2.889
  382    HA   ALA  48           HA       ALA  48   1.456  -5.518  -1.595
  383    HB1  ALA  48           HB1      ALA  48   1.016  -3.106  -1.150
  384    HB2  ALA  48           HB2      ALA  48  -0.453  -3.993  -1.556
  385    HB3  ALA  48           HB3      ALA  48   0.314  -2.958  -2.761
  386    H    LYS  49           H        LYS  49   1.306  -4.075  -4.823
  387    HA   LYS  49           HA       LYS  49  -0.849  -5.601  -5.831
  388    HB2  LYS  49           HB2      LYS  49   0.439  -3.496  -6.799
  389    HB3  LYS  49           HB3      LYS  49   1.398  -4.732  -7.611
  390    HG2  LYS  49           HG2      LYS  49  -0.930  -5.741  -8.282
  391    HG3  LYS  49           HG3      LYS  49  -1.543  -4.138  -7.885
  392    HD2  LYS  49           HD2      LYS  49   0.629  -3.488  -9.427
  393    HD3  LYS  49           HD3      LYS  49   0.127  -5.009 -10.169
  394    HE2  LYS  49           HE2      LYS  49  -2.212  -4.090 -10.322
  395    HE3  LYS  49           HE3      LYS  49  -1.594  -2.543  -9.728
  396    HZ1  LYS  49           HZ1      LYS  49  -0.041  -2.533 -11.620
  397    HZ2  LYS  49           HZ2      LYS  49  -1.663  -2.511 -12.112
  398    HZ3  LYS  49           HZ3      LYS  49  -0.766  -3.950 -12.212
  399    H    LYS  50           H        LYS  50   2.629  -6.156  -5.611
  400    HA   LYS  50           HA       LYS  50   2.889  -8.408  -7.264
  401    HB2  LYS  50           HB2      LYS  50   4.741  -7.054  -6.216
  402    HB3  LYS  50           HB3      LYS  50   4.401  -7.871  -4.695
  403    HG2  LYS  50           HG2      LYS  50   4.936 -10.035  -5.662
  404    HG3  LYS  50           HG3      LYS  50   5.092  -9.324  -7.268
  405    HD2  LYS  50           HD2      LYS  50   7.327  -9.535  -6.484
  406    HD3  LYS  50           HD3      LYS  50   6.926  -7.833  -6.264
  407    HE2  LYS  50           HE2      LYS  50   6.349  -8.313  -3.879
  408    HE3  LYS  50           HE3      LYS  50   6.865  -9.982  -4.119
  409    HZ1  LYS  50           HZ1      LYS  50   9.039  -8.973  -4.910
  410    HZ2  LYS  50           HZ2      LYS  50   8.719  -8.900  -3.245
  411    HZ3  LYS  50           HZ3      LYS  50   8.499  -7.518  -4.213
  412    H    LEU  51           H        LEU  51   2.074  -8.135  -3.809
  413    HA   LEU  51           HA       LEU  51   1.917 -10.921  -3.267
  414    HB2  LEU  51           HB2      LEU  51   0.662  -8.500  -1.962
  415    HB3  LEU  51           HB3      LEU  51   0.421 -10.127  -1.329
  416    HG   LEU  51           HG       LEU  51   3.135  -8.824  -1.778
  417   HD11  LEU  51          HD11      LEU  51   3.163  -8.824   0.762
  418   HD12  LEU  51          HD12      LEU  51   1.433  -9.163   0.701
  419   HD13  LEU  51          HD13      LEU  51   2.062  -7.664   0.019
  420   HD21  LEU  51          HD21      LEU  51   3.707 -10.800  -0.120
  421   HD22  LEU  51          HD22      LEU  51   3.550 -11.132  -1.843
  422   HD23  LEU  51          HD23      LEU  51   2.220 -11.507  -0.749
  423    H    ASN  52           H        ASN  52  -0.480  -8.542  -4.353
  424    HA   ASN  52           HA       ASN  52  -2.746 -10.244  -4.304
  425    HB2  ASN  52           HB2      ASN  52  -3.161  -7.926  -4.483
  426    HB3  ASN  52           HB3      ASN  52  -2.059  -7.736  -5.839
  427   HD21  ASN  52          HD21      ASN  52  -5.262  -9.028  -4.931
  428   HD22  ASN  52          HD22      ASN  52  -5.878  -9.047  -6.516
  429    H    ASP  53           H        ASP  53  -0.469  -9.410  -6.900
  430    HA   ASP  53           HA       ASP  53  -1.641 -10.971  -8.935
  431    HB2  ASP  53           HB2      ASP  53   1.232 -10.092  -8.535
  432    HB3  ASP  53           HB3      ASP  53   0.606 -10.793 -10.021
  433    H    ALA  54           H        ALA  54   0.763 -11.774  -6.463
  434    HA   ALA  54           HA       ALA  54   1.359 -14.378  -7.527
  435    HB1  ALA  54           HB1      ALA  54   1.899 -13.175  -4.801
  436    HB2  ALA  54           HB2      ALA  54   2.995 -13.173  -6.182
  437    HB3  ALA  54           HB3      ALA  54   2.575 -14.693  -5.394
  438    H    GLN  55           H        GLN  55  -0.509 -13.280  -4.675
  439    HA   GLN  55           HA       GLN  55  -1.339 -15.890  -3.896
  440    HB2  GLN  55           HB2      GLN  55  -2.492 -13.169  -3.194
  441    HB3  GLN  55           HB3      GLN  55  -2.983 -14.689  -2.450
  442    HG2  GLN  55           HG2      GLN  55  -0.838 -15.038  -1.486
  443    HG3  GLN  55           HG3      GLN  55  -0.090 -13.807  -2.506
  444   HE21  GLN  55          HE21      GLN  55  -1.580 -11.596  -2.259
  445   HE22  GLN  55          HE22      GLN  55  -1.775 -11.120  -0.645
  446    H    ALA  56           H        ALA  56  -2.659 -13.597  -6.185
  447    HA   ALA  56           HA       ALA  56  -5.316 -14.400  -6.314
  448    HB1  ALA  56           HB1      ALA  56  -3.423 -13.282  -8.364
  449    HB2  ALA  56           HB2      ALA  56  -4.787 -12.500  -7.565
  450    HB3  ALA  56           HB3      ALA  56  -5.075 -13.714  -8.810
  451    HA   PRO  57           HA       PRO  57  -5.688 -18.470  -7.979
  452    HB2  PRO  57           HB2      PRO  57  -7.323 -17.345 -10.215
  453    HB3  PRO  57           HB3      PRO  57  -7.715 -18.639  -9.065
  454    HG2  PRO  57           HG2      PRO  57  -8.789 -16.227  -8.828
  455    HG3  PRO  57           HG3      PRO  57  -8.311 -17.166  -7.405
  456    HD2  PRO  57           HD2      PRO  57  -6.959 -14.803  -8.643
  457    HD3  PRO  57           HD3      PRO  57  -7.086 -15.269  -6.932
  458    H    LYS  58           H        LYS  58  -5.026 -19.870  -9.656
  459    HA   LYS  58           HA       LYS  58  -3.103 -18.681 -11.559
  460    HB2  LYS  58           HB2      LYS  58  -3.328 -21.379 -10.229
  461    HB3  LYS  58           HB3      LYS  58  -2.390 -21.190 -11.708
  462    HG2  LYS  58           HG2      LYS  58  -0.786 -20.839 -10.018
  463    HG3  LYS  58           HG3      LYS  58  -1.242 -19.199 -10.477
  464    HD2  LYS  58           HD2      LYS  58  -2.862 -19.149  -8.577
  465    HD3  LYS  58           HD3      LYS  58  -2.328 -20.758  -8.103
  466    HE2  LYS  58           HE2      LYS  58  -0.277 -20.001  -7.338
  467    HE3  LYS  58           HE3      LYS  58  -0.250 -18.627  -8.443
  468    HZ1  LYS  58           HZ1      LYS  58  -1.651 -18.913  -5.873
  469    HZ2  LYS  58           HZ2      LYS  58  -2.286 -17.868  -7.051
  470    HZ3  LYS  58           HZ3      LYS  58  -0.713 -17.616  -6.450
  Start of MODEL   21
    1    H    VAL   1           H        VAL   1   6.435  19.908  -3.512
    2    HA   VAL   1           HA       VAL   1   4.992  19.542  -1.663
    3    HB   VAL   1           HB       VAL   1   7.908  19.093  -0.901
    4   HG11  VAL   1          HG11      VAL   1   6.370  18.700   0.986
    5   HG12  VAL   1          HG12      VAL   1   7.007  17.171   0.389
    6   HG13  VAL   1          HG13      VAL   1   5.368  17.666  -0.032
    7   HG21  VAL   1          HG21      VAL   1   7.489  18.156  -3.100
    8   HG22  VAL   1          HG22      VAL   1   5.962  17.453  -2.565
    9   HG23  VAL   1          HG23      VAL   1   7.489  16.825  -1.945
   10    H    ASP   2           H        ASP   2   4.075  21.465  -0.843
   11    HA   ASP   2           HA       ASP   2   5.486  23.332   0.777
   12    HB2  ASP   2           HB2      ASP   2   3.364  23.846  -0.420
   13    HB3  ASP   2           HB3      ASP   2   2.503  22.786   0.693
   14    H    ASN   3           H        ASN   3   2.894  21.056   1.765
   15    HA   ASN   3           HA       ASN   3   3.932  21.042   4.505
   16    HB2  ASN   3           HB2      ASN   3   1.434  19.781   3.324
   17    HB3  ASN   3           HB3      ASN   3   1.854  19.818   5.035
   18   HD21  ASN   3          HD21      ASN   3  -0.312  21.230   3.164
   19   HD22  ASN   3          HD22      ASN   3  -0.287  22.826   3.748
   20    H    LYS   4           H        LYS   4   2.810  18.618   2.147
   21    HA   LYS   4           HA       LYS   4   5.091  16.996   2.142
   22    HB2  LYS   4           HB2      LYS   4   3.458  16.628   4.509
   23    HB3  LYS   4           HB3      LYS   4   3.456  15.158   3.538
   24    HG2  LYS   4           HG2      LYS   4   5.927  15.184   3.472
   25    HG3  LYS   4           HG3      LYS   4   5.941  16.651   4.447
   26    HD2  LYS   4           HD2      LYS   4   4.739  15.415   6.260
   27    HD3  LYS   4           HD3      LYS   4   4.851  13.946   5.291
   28    HE2  LYS   4           HE2      LYS   4   6.708  13.807   6.754
   29    HE3  LYS   4           HE3      LYS   4   7.401  14.399   5.243
   30    HZ1  LYS   4           HZ1      LYS   4   6.835  15.883   7.728
   31    HZ2  LYS   4           HZ2      LYS   4   6.920  16.703   6.247
   32    HZ3  LYS   4           HZ3      LYS   4   8.266  15.835   6.813
   33    H    PHE   5           H        PHE   5   4.761  14.971   0.986
   34    HA   PHE   5           HA       PHE   5   2.577  15.170  -0.925
   35    HB2  PHE   5           HB2      PHE   5   3.796  13.216  -2.029
   36    HB3  PHE   5           HB3      PHE   5   4.668  14.741  -1.948
   37    HD1  PHE   5           HD1      PHE   5   6.508  15.064  -0.321
   38    HD2  PHE   5           HD2      PHE   5   4.522  11.273  -0.737
   39    HE1  PHE   5           HE1      PHE   5   8.360  13.960   0.901
   40    HE2  PHE   5           HE2      PHE   5   6.376  10.173   0.487
   41    HZ   PHE   5           HZ       PHE   5   8.294  11.517   1.305
   42    H    ASN   6           H        ASN   6   1.598  14.621   1.559
   43    HA   ASN   6           HA       ASN   6   1.179  11.887   2.152
   44    HB2  ASN   6           HB2      ASN   6  -0.604  14.259   2.767
   45    HB3  ASN   6           HB3      ASN   6  -0.665  12.686   3.557
   46   HD21  ASN   6          HD21      ASN   6   0.486  15.757   4.037
   47   HD22  ASN   6          HD22      ASN   6   1.821  15.411   5.030
   48    H    LYS   7           H        LYS   7  -0.578  14.163   0.092
   49    HA   LYS   7           HA       LYS   7  -2.941  12.791  -0.362
   50    HB2  LYS   7           HB2      LYS   7  -2.390  15.097  -1.156
   51    HB3  LYS   7           HB3      LYS   7  -1.386  14.387  -2.417
   52    HG2  LYS   7           HG2      LYS   7  -3.472  14.800  -3.475
   53    HG3  LYS   7           HG3      LYS   7  -3.498  13.074  -3.125
   54    HD2  LYS   7           HD2      LYS   7  -4.868  13.443  -1.142
   55    HD3  LYS   7           HD3      LYS   7  -4.735  15.190  -1.328
   56    HE2  LYS   7           HE2      LYS   7  -5.932  13.424  -3.477
   57    HE3  LYS   7           HE3      LYS   7  -6.902  14.125  -2.183
   58    HZ1  LYS   7           HZ1      LYS   7  -6.441  15.360  -4.484
   59    HZ2  LYS   7           HZ2      LYS   7  -5.126  15.948  -3.589
   60    HZ3  LYS   7           HZ3      LYS   7  -6.709  16.190  -3.026
   61    H    GLU   8           H        GLU   8   0.088  12.510  -2.239
   62    HA   GLU   8           HA       GLU   8  -0.849  10.587  -4.081
   63    HB2  GLU   8           HB2      GLU   8   1.940  11.233  -3.090
   64    HB3  GLU   8           HB3      GLU   8   1.620  10.073  -4.376
   65    HG2  GLU   8           HG2      GLU   8   2.072  12.139  -5.485
   66    HG3  GLU   8           HG3      GLU   8   0.331  11.918  -5.577
   67    H    MET   9           H        MET   9   0.762  10.238  -0.933
   68    HA   MET   9           HA       MET   9   1.023   7.419  -1.032
   69    HB2  MET   9           HB2      MET   9   0.919   9.336   1.304
   70    HB3  MET   9           HB3      MET   9   1.257   7.613   1.472
   71    HG2  MET   9           HG2      MET   9   3.100   7.967  -0.292
   72    HG3  MET   9           HG3      MET   9   2.881   9.691  -0.012
   73    HE1  MET   9           HE1      MET   9   3.181  10.900   2.085
   74    HE2  MET   9           HE2      MET   9   3.857  10.275   3.600
   75    HE3  MET   9           HE3      MET   9   2.215   9.851   3.128
   76    H    ARG  10           H        ARG  10  -1.611   9.534   0.058
   77    HA   ARG  10           HA       ARG  10  -3.201   7.546   1.298
   78    HB2  ARG  10           HB2      ARG  10  -3.941  10.152  -0.050
   79    HB3  ARG  10           HB3      ARG  10  -5.132   9.116   0.733
   80    HG2  ARG  10           HG2      ARG  10  -3.860   9.262   2.855
   81    HG3  ARG  10           HG3      ARG  10  -2.690  10.322   2.077
   82    HD2  ARG  10           HD2      ARG  10  -4.588  11.901   1.545
   83    HD3  ARG  10           HD3      ARG  10  -5.634  10.886   2.534
   84    HE   ARG  10           HE       ARG  10  -3.654  12.761   3.479
   85   HH11  ARG  10          HH11      ARG  10  -5.363   9.822   4.211
   86   HH12  ARG  10          HH12      ARG  10  -5.185   9.997   5.923
   87   HH21  ARG  10          HH21      ARG  10  -3.433  12.971   5.712
   88   HH22  ARG  10          HH22      ARG  10  -4.097  11.773   6.768
   89    H    ASN  11           H        ASN  11  -2.931   8.629  -2.072
   90    HA   ASN  11           HA       ASN  11  -5.080   7.112  -3.128
   91    HB2  ASN  11           HB2      ASN  11  -2.499   7.988  -4.463
   92    HB3  ASN  11           HB3      ASN  11  -3.902   7.346  -5.309
   93   HD21  ASN  11          HD21      ASN  11  -6.058   8.643  -4.241
   94   HD22  ASN  11          HD22      ASN  11  -5.892  10.326  -4.377
   95    H    ALA  12           H        ALA  12  -1.625   6.348  -2.667
   96    HA   ALA  12           HA       ALA  12  -1.750   3.742  -3.829
   97    HB1  ALA  12           HB1      ALA  12   0.433   3.366  -2.801
   98    HB2  ALA  12           HB2      ALA  12   0.211   4.767  -1.749
   99    HB3  ALA  12           HB3      ALA  12   0.382   4.990  -3.490
  100    H    TYR  13           H        TYR  13  -2.130   4.973  -0.525
  101    HA   TYR  13           HA       TYR  13  -2.226   2.551   0.881
  102    HB2  TYR  13           HB2      TYR  13  -2.245   4.176   2.458
  103    HB3  TYR  13           HB3      TYR  13  -2.935   5.352   1.354
  104    HD1  TYR  13           HD1      TYR  13  -4.027   2.244   3.197
  105    HD2  TYR  13           HD2      TYR  13  -5.032   6.224   1.925
  106    HE1  TYR  13           HE1      TYR  13  -6.193   2.076   4.383
  107    HE2  TYR  13           HE2      TYR  13  -7.199   6.052   3.112
  108    HH   TYR  13           HH       TYR  13  -8.680   3.571   3.881
  109    H    TRP  14           H        TRP  14  -4.866   4.402  -0.586
  110    HA   TRP  14           HA       TRP  14  -6.990   2.692   0.103
  111    HB2  TRP  14           HB2      TRP  14  -7.171   5.038  -0.748
  112    HB3  TRP  14           HB3      TRP  14  -6.728   4.444  -2.343
  113    HD1  TRP  14           HD1      TRP  14  -8.575   3.294  -3.773
  114    HE1  TRP  14           HE1      TRP  14 -11.088   2.837  -3.423
  115    HE3  TRP  14           HE3      TRP  14  -9.006   4.452   1.186
  116    HZ2  TRP  14           HZ2      TRP  14 -13.025   2.947  -1.324
  117    HZ3  TRP  14           HZ3      TRP  14 -11.196   4.267   2.333
  118    HH2  TRP  14           HH2      TRP  14 -13.204   3.517   1.086
  119    H    GLU  15           H        GLU  15  -4.934   2.790  -2.821
  120    HA   GLU  15           HA       GLU  15  -6.282   0.786  -4.270
  121    HB2  GLU  15           HB2      GLU  15  -4.592   2.369  -5.218
  122    HB3  GLU  15           HB3      GLU  15  -3.327   1.435  -4.419
  123    HG2  GLU  15           HG2      GLU  15  -4.059  -0.596  -5.659
  124    HG3  GLU  15           HG3      GLU  15  -5.297   0.355  -6.471
  125    H    ILE  16           H        ILE  16  -3.633   0.551  -1.903
  126    HA   ILE  16           HA       ILE  16  -3.055  -2.197  -2.250
  127    HB   ILE  16           HB       ILE  16  -2.819  -0.419   0.198
  128   HG12  ILE  16          HG12      ILE  16  -0.622  -1.430  -1.623
  129   HG13  ILE  16          HG13      ILE  16  -1.467   0.077  -1.944
  130   HG21  ILE  16          HG21      ILE  16  -1.809  -3.235  -0.309
  131   HG22  ILE  16          HG22      ILE  16  -2.847  -2.686   1.007
  132   HG23  ILE  16          HG23      ILE  16  -1.156  -2.192   0.954
  133   HD11  ILE  16          HD11      ILE  16   0.602   0.483  -0.660
  134   HD12  ILE  16          HD12      ILE  16   0.023  -0.591   0.613
  135   HD13  ILE  16          HD13      ILE  16  -0.820   0.923   0.285
  136    H    ALA  17           H        ALA  17  -5.167  -0.563   0.110
  137    HA   ALA  17           HA       ALA  17  -6.194  -2.841   1.373
  138    HB1  ALA  17           HB1      ALA  17  -8.059  -1.358   2.074
  139    HB2  ALA  17           HB2      ALA  17  -7.488  -0.138   0.935
  140    HB3  ALA  17           HB3      ALA  17  -6.478  -0.609   2.302
  141    H    LEU  18           H        LEU  18  -7.108  -1.299  -1.650
  142    HA   LEU  18           HA       LEU  18  -9.644  -2.459  -2.011
  143    HB2  LEU  18           HB2      LEU  18  -8.700  -0.582  -3.373
  144    HB3  LEU  18           HB3      LEU  18  -7.648  -1.743  -4.174
  145    HG   LEU  18           HG       LEU  18  -9.718  -3.029  -4.868
  146   HD11  LEU  18          HD11      LEU  18 -11.026  -0.614  -3.598
  147   HD12  LEU  18          HD12      LEU  18 -11.389  -2.320  -3.338
  148   HD13  LEU  18          HD13      LEU  18 -11.835  -1.546  -4.857
  149   HD21  LEU  18          HD21      LEU  18  -9.506  -0.139  -5.787
  150   HD22  LEU  18          HD22      LEU  18 -10.322  -1.431  -6.667
  151   HD23  LEU  18          HD23      LEU  18  -8.578  -1.497  -6.424
  152    H    LEU  19           H        LEU  19  -6.395  -3.738  -2.692
  153    HA   LEU  19           HA       LEU  19  -7.287  -5.992  -4.211
  154    HB2  LEU  19           HB2      LEU  19  -4.709  -5.275  -2.839
  155    HB3  LEU  19           HB3      LEU  19  -4.967  -6.896  -3.457
  156    HG   LEU  19           HG       LEU  19  -4.891  -6.255  -5.660
  157   HD11  LEU  19          HD11      LEU  19  -5.928  -3.535  -4.828
  158   HD12  LEU  19          HD12      LEU  19  -6.774  -4.765  -5.768
  159   HD13  LEU  19          HD13      LEU  19  -5.398  -3.915  -6.464
  160   HD21  LEU  19          HD21      LEU  19  -3.401  -3.933  -4.403
  161   HD22  LEU  19          HD22      LEU  19  -3.116  -4.629  -5.998
  162   HD23  LEU  19          HD23      LEU  19  -2.760  -5.569  -4.551
  163    HA   PRO  20           HA       PRO  20  -8.683  -8.309  -0.586
  164    HB2  PRO  20           HB2      PRO  20 -10.121 -10.150  -1.867
  165    HB3  PRO  20           HB3      PRO  20 -10.604  -8.441  -1.912
  166    HG2  PRO  20           HG2      PRO  20  -9.129 -10.031  -3.973
  167    HG3  PRO  20           HG3      PRO  20 -10.485  -8.914  -4.187
  168    HD2  PRO  20           HD2      PRO  20  -7.831  -8.236  -4.577
  169    HD3  PRO  20           HD3      PRO  20  -9.120  -7.070  -4.198
  170    H    ASN  21           H        ASN  21  -6.773  -9.710  -3.195
  171    HA   ASN  21           HA       ASN  21  -6.563 -12.352  -2.256
  172    HB2  ASN  21           HB2      ASN  21  -4.095 -11.688  -3.528
  173    HB3  ASN  21           HB3      ASN  21  -5.444 -12.613  -4.170
  174   HD21  ASN  21          HD21      ASN  21  -6.058 -11.766  -6.158
  175   HD22  ASN  21          HD22      ASN  21  -6.086 -10.111  -6.539
  176    H    LEU  22           H        LEU  22  -4.710  -9.466  -1.424
  177    HA   LEU  22           HA       LEU  22  -2.696 -10.894   0.028
  178    HB2  LEU  22           HB2      LEU  22  -3.454  -7.979   0.335
  179    HB3  LEU  22           HB3      LEU  22  -1.946  -8.742   0.829
  180    HG   LEU  22           HG       LEU  22  -1.860  -9.439  -1.749
  181   HD11  LEU  22          HD11      LEU  22  -3.828  -7.207  -1.597
  182   HD12  LEU  22          HD12      LEU  22  -3.729  -8.553  -2.730
  183   HD13  LEU  22          HD13      LEU  22  -2.648  -7.176  -2.906
  184   HD21  LEU  22          HD21      LEU  22  -1.186  -6.654  -0.767
  185   HD22  LEU  22          HD22      LEU  22  -0.466  -7.478  -2.147
  186   HD23  LEU  22          HD23      LEU  22  -0.182  -8.088  -0.520
  187    H    ASN  23           H        ASN  23  -2.624 -11.577   2.016
  188    HA   ASN  23           HA       ASN  23  -4.897 -11.913   3.618
  189    HB2  ASN  23           HB2      ASN  23  -2.319 -12.843   3.704
  190    HB3  ASN  23           HB3      ASN  23  -2.350 -11.790   5.116
  191   HD21  ASN  23          HD21      ASN  23  -4.428 -12.154   6.557
  192   HD22  ASN  23          HD22      ASN  23  -4.907 -13.771   6.762
  193    H    ASN  24           H        ASN  24  -5.438 -11.027   5.720
  194    HA   ASN  24           HA       ASN  24  -5.726  -8.252   5.732
  195    HB2  ASN  24           HB2      ASN  24  -6.659  -8.479   7.929
  196    HB3  ASN  24           HB3      ASN  24  -7.123  -9.901   7.006
  197   HD21  ASN  24          HD21      ASN  24  -6.287  -9.166  10.043
  198   HD22  ASN  24          HD22      ASN  24  -5.393 -10.547  10.472
  199    H    GLN  25           H        GLN  25  -3.311 -10.234   7.432
  200    HA   GLN  25           HA       GLN  25  -2.147  -8.146   8.940
  201    HB2  GLN  25           HB2      GLN  25  -0.969 -10.750   7.930
  202    HB3  GLN  25           HB3      GLN  25  -0.179  -9.688   9.099
  203    HG2  GLN  25           HG2      GLN  25  -2.080  -9.922  10.635
  204    HG3  GLN  25           HG3      GLN  25  -2.927 -10.933   9.466
  205   HE21  GLN  25          HE21      GLN  25  -2.036 -11.688  12.219
  206   HE22  GLN  25          HE22      GLN  25  -0.998 -13.015  12.021
  207    H    GLN  26           H        GLN  26  -1.356  -9.465   5.740
  208    HA   GLN  26           HA       GLN  26   0.941  -7.889   5.253
  209    HB2  GLN  26           HB2      GLN  26  -1.041  -9.128   3.324
  210    HB3  GLN  26           HB3      GLN  26   0.506  -8.427   2.852
  211    HG2  GLN  26           HG2      GLN  26   1.691 -10.039   4.298
  212    HG3  GLN  26           HG3      GLN  26   0.151 -10.736   4.794
  213   HE21  GLN  26          HE21      GLN  26  -1.278 -11.394   2.750
  214   HE22  GLN  26          HE22      GLN  26  -0.434 -12.213   1.522
  215    H    LYS  27           H        LYS  27  -2.501  -7.343   4.649
  216    HA   LYS  27           HA       LYS  27  -2.352  -5.036   3.061
  217    HB2  LYS  27           HB2      LYS  27  -4.411  -6.357   3.475
  218    HB3  LYS  27           HB3      LYS  27  -4.442  -5.773   5.134
  219    HG2  LYS  27           HG2      LYS  27  -4.630  -3.431   4.279
  220    HG3  LYS  27           HG3      LYS  27  -4.671  -4.064   2.633
  221    HD2  LYS  27           HD2      LYS  27  -6.957  -3.730   3.274
  222    HD3  LYS  27           HD3      LYS  27  -6.675  -5.466   3.345
  223    HE2  LYS  27           HE2      LYS  27  -6.547  -5.459   5.723
  224    HE3  LYS  27           HE3      LYS  27  -6.368  -3.705   5.786
  225    HZ1  LYS  27           HZ1      LYS  27  -8.606  -3.439   5.021
  226    HZ2  LYS  27           HZ2      LYS  27  -8.623  -4.486   6.355
  227    HZ3  LYS  27           HZ3      LYS  27  -8.785  -5.111   4.784
  228    H    ARG  28           H        ARG  28  -3.117  -5.119   6.537
  229    HA   ARG  28           HA       ARG  28  -2.798  -2.380   7.035
  230    HB2  ARG  28           HB2      ARG  28  -2.525  -4.739   8.916
  231    HB3  ARG  28           HB3      ARG  28  -2.621  -3.057   9.435
  232    HG2  ARG  28           HG2      ARG  28  -4.832  -2.850   8.312
  233    HG3  ARG  28           HG3      ARG  28  -4.740  -4.547   7.844
  234    HD2  ARG  28           HD2      ARG  28  -6.084  -4.413   9.845
  235    HD3  ARG  28           HD3      ARG  28  -4.538  -5.136  10.287
  236    HE   ARG  28           HE       ARG  28  -4.362  -2.342  10.652
  237   HH11  ARG  28          HH11      ARG  28  -5.983  -5.115  11.980
  238   HH12  ARG  28          HH12      ARG  28  -6.114  -4.437  13.567
  239   HH21  ARG  28          HH21      ARG  28  -4.544  -1.471  12.726
  240   HH22  ARG  28          HH22      ARG  28  -5.303  -2.383  13.986
  241    H    ALA  29           H        ALA  29  -0.434  -5.002   7.073
  242    HA   ALA  29           HA       ALA  29   1.652  -3.706   8.435
  243    HB1  ALA  29           HB1      ALA  29   3.137  -5.322   7.211
  244    HB2  ALA  29           HB2      ALA  29   1.727  -5.830   6.282
  245    HB3  ALA  29           HB3      ALA  29   1.768  -6.075   8.028
  246    H    PHE  30           H        PHE  30   0.877  -3.740   4.940
  247    HA   PHE  30           HA       PHE  30   3.145  -2.258   4.107
  248    HB2  PHE  30           HB2      PHE  30   0.440  -2.781   2.895
  249    HB3  PHE  30           HB3      PHE  30   1.534  -1.629   2.136
  250    HD1  PHE  30           HD1      PHE  30   4.127  -2.594   2.164
  251    HD2  PHE  30           HD2      PHE  30   0.528  -4.931   1.970
  252    HE1  PHE  30           HE1      PHE  30   5.389  -4.445   1.108
  253    HE2  PHE  30           HE2      PHE  30   1.791  -6.783   0.923
  254    HZ   PHE  30           HZ       PHE  30   4.225  -6.540   0.485
  255    H    ILE  31           H        ILE  31  -0.195  -1.184   4.730
  256    HA   ILE  31           HA       ILE  31   0.146   1.540   4.259
  257    HB   ILE  31           HB       ILE  31  -1.696   0.310   6.332
  258   HG12  ILE  31          HG12      ILE  31  -2.108  -0.880   4.273
  259   HG13  ILE  31          HG13      ILE  31  -3.380   0.317   4.424
  260   HG21  ILE  31          HG21      ILE  31  -1.659   2.708   6.520
  261   HG22  ILE  31          HG22      ILE  31  -3.138   2.283   5.661
  262   HG23  ILE  31          HG23      ILE  31  -1.750   2.908   4.769
  263   HD11  ILE  31          HD11      ILE  31  -1.067   0.247   2.527
  264   HD12  ILE  31          HD12      ILE  31  -1.741   1.810   2.988
  265   HD13  ILE  31          HD13      ILE  31  -2.763   0.605   2.208
  266    H    ARG  32           H        ARG  32   0.521  -0.261   7.327
  267    HA   ARG  32           HA       ARG  32   1.115   1.961   8.970
  268    HB2  ARG  32           HB2      ARG  32   0.534  -0.330   9.793
  269    HB3  ARG  32           HB3      ARG  32   2.131  -0.880   9.286
  270    HG2  ARG  32           HG2      ARG  32   3.177   0.794  10.794
  271    HG3  ARG  32           HG3      ARG  32   1.576   1.316  11.313
  272    HD2  ARG  32           HD2      ARG  32   1.121  -1.024  12.090
  273    HD3  ARG  32           HD3      ARG  32   2.784  -1.444  11.692
  274    HE   ARG  32           HE       ARG  32   1.885   0.037  13.998
  275   HH11  ARG  32          HH11      ARG  32   4.532  -0.451  11.798
  276   HH12  ARG  32          HH12      ARG  32   5.732   0.078  12.926
  277   HH21  ARG  32          HH21      ARG  32   3.461   0.723  15.454
  278   HH22  ARG  32          HH22      ARG  32   5.128   0.740  14.987
  279    H    SER  33           H        SER  33   3.248  -0.287   7.210
  280    HA   SER  33           HA       SER  33   5.712   0.883   7.969
  281    HB2  SER  33           HB2      SER  33   5.443  -1.377   6.901
  282    HB3  SER  33           HB3      SER  33   5.108  -0.565   5.378
  283    HG   SER  33           HG       SER  33   7.207   0.567   5.889
  284    H    LEU  34           H        LEU  34   3.358   1.668   5.512
  285    HA   LEU  34           HA       LEU  34   4.859   3.292   3.794
  286    HB2  LEU  34           HB2      LEU  34   2.260   2.472   3.916
  287    HB3  LEU  34           HB3      LEU  34   2.076   4.157   4.370
  288    HG   LEU  34           HG       LEU  34   3.804   3.548   2.004
  289   HD11  LEU  34          HD11      LEU  34   1.981   3.234   0.512
  290   HD12  LEU  34          HD12      LEU  34   0.793   3.678   1.739
  291   HD13  LEU  34          HD13      LEU  34   1.651   2.140   1.858
  292   HD21  LEU  34          HD21      LEU  34   2.756   5.669   1.210
  293   HD22  LEU  34          HD22      LEU  34   3.534   5.866   2.780
  294   HD23  LEU  34          HD23      LEU  34   1.779   5.717   2.678
  295    H    TYR  35           H        TYR  35   2.912   4.211   6.638
  296    HA   TYR  35           HA       TYR  35   3.569   6.964   6.624
  297    HB2  TYR  35           HB2      TYR  35   1.670   5.961   7.903
  298    HB3  TYR  35           HB3      TYR  35   2.833   5.229   9.006
  299    HD1  TYR  35           HD1      TYR  35   1.465   8.455   7.762
  300    HD2  TYR  35           HD2      TYR  35   3.967   6.544  10.693
  301    HE1  TYR  35           HE1      TYR  35   1.566  10.567   9.058
  302    HE2  TYR  35           HE2      TYR  35   4.064   8.658  11.984
  303    HH   TYR  35           HH       TYR  35   3.580  11.463  10.956
  304    H    ASP  36           H        ASP  36   5.039   4.139   8.164
  305    HA   ASP  36           HA       ASP  36   6.970   5.474   9.736
  306    HB2  ASP  36           HB2      ASP  36   6.234   2.965   9.701
  307    HB3  ASP  36           HB3      ASP  36   7.492   2.787   8.482
  308    H    ASP  37           H        ASP  37   7.050   4.333   6.373
  309    HA   ASP  37           HA       ASP  37   9.465   5.976   5.904
  310    HB2  ASP  37           HB2      ASP  37   9.072   3.104   5.010
  311    HB3  ASP  37           HB3      ASP  37  10.371   4.149   4.459
  312    HA   PRO  38           HA       PRO  38   6.038   7.057   2.923
  313    HB2  PRO  38           HB2      PRO  38   7.799   9.473   2.821
  314    HB3  PRO  38           HB3      PRO  38   6.035   9.371   2.937
  315    HG2  PRO  38           HG2      PRO  38   7.500  10.024   5.043
  316    HG3  PRO  38           HG3      PRO  38   6.073   8.986   5.209
  317    HD2  PRO  38           HD2      PRO  38   8.968   8.231   5.277
  318    HD3  PRO  38           HD3      PRO  38   7.605   7.552   6.194
  319    H    SER  39           H        SER  39   9.534   7.159   2.690
  320    HA   SER  39           HA       SER  39   9.878   7.656  -0.045
  321    HB2  SER  39           HB2      SER  39  11.600   5.938   1.757
  322    HB3  SER  39           HB3      SER  39  12.095   6.666   0.230
  323    HG   SER  39           HG       SER  39  11.804   8.693   1.151
  324    H    GLN  40           H        GLN  40   9.146   4.625   1.651
  325    HA   GLN  40           HA       GLN  40   9.540   3.000  -0.724
  326    HB2  GLN  40           HB2      GLN  40   8.243   2.233   1.904
  327    HB3  GLN  40           HB3      GLN  40   8.835   1.134   0.664
  328    HG2  GLN  40           HG2      GLN  40  10.532   3.066   2.267
  329    HG3  GLN  40           HG3      GLN  40  10.441   1.331   2.530
  330   HE21  GLN  40          HE21      GLN  40  12.400   3.606   1.123
  331   HE22  GLN  40          HE22      GLN  40  13.105   2.656  -0.096
  332    H    SER  41           H        SER  41   7.111   5.096   0.137
  333    HA   SER  41           HA       SER  41   4.670   3.932  -0.067
  334    HB2  SER  41           HB2      SER  41   3.927   5.974  -1.323
  335    HB3  SER  41           HB3      SER  41   4.854   6.312   0.134
  336    HG   SER  41           HG       SER  41   6.510   6.975  -1.059
  337    H    ALA  42           H        ALA  42   6.575   4.878  -2.935
  338    HA   ALA  42           HA       ALA  42   4.812   3.776  -4.853
  339    HB1  ALA  42           HB1      ALA  42   6.670   4.022  -6.416
  340    HB2  ALA  42           HB2      ALA  42   7.806   4.192  -5.077
  341    HB3  ALA  42           HB3      ALA  42   6.590   5.437  -5.365
  342    H    ASN  43           H        ASN  43   7.596   2.438  -3.128
  343    HA   ASN  43           HA       ASN  43   7.779   0.009  -4.600
  344    HB2  ASN  43           HB2      ASN  43   8.678   0.625  -1.779
  345    HB3  ASN  43           HB3      ASN  43   9.142  -0.795  -2.706
  346   HD21  ASN  43          HD21      ASN  43  11.168   0.818  -1.796
  347   HD22  ASN  43          HD22      ASN  43  11.851   1.709  -3.074
  348    H    LEU  44           H        LEU  44   6.304   0.734  -1.412
  349    HA   LEU  44           HA       LEU  44   5.396  -1.842  -0.809
  350    HB2  LEU  44           HB2      LEU  44   4.075   0.774  -0.122
  351    HB3  LEU  44           HB3      LEU  44   3.769  -0.750   0.672
  352    HG   LEU  44           HG       LEU  44   6.289   0.942   0.768
  353   HD11  LEU  44          HD11      LEU  44   5.926   0.937   3.130
  354   HD12  LEU  44          HD12      LEU  44   4.695  -0.319   3.006
  355   HD13  LEU  44          HD13      LEU  44   4.371   1.297   2.382
  356   HD21  LEU  44          HD21      LEU  44   5.982  -1.999   1.392
  357   HD22  LEU  44          HD22      LEU  44   7.166  -1.009   2.242
  358   HD23  LEU  44          HD23      LEU  44   7.264  -1.192   0.493
  359    H    LEU  45           H        LEU  45   3.841   0.734  -2.681
  360    HA   LEU  45           HA       LEU  45   1.325  -0.500  -3.057
  361    HB2  LEU  45           HB2      LEU  45   1.660   1.846  -3.534
  362    HB3  LEU  45           HB3      LEU  45   2.882   1.473  -4.737
  363    HG   LEU  45           HG       LEU  45   1.141   0.309  -6.110
  364   HD11  LEU  45          HD11      LEU  45  -1.266   0.762  -5.454
  365   HD12  LEU  45          HD12      LEU  45  -0.671   1.271  -3.876
  366   HD13  LEU  45          HD13      LEU  45  -0.426  -0.389  -4.421
  367   HD21  LEU  45          HD21      LEU  45   1.627   2.665  -6.570
  368   HD22  LEU  45          HD22      LEU  45   0.489   3.169  -5.320
  369   HD23  LEU  45          HD23      LEU  45  -0.099   2.367  -6.776
  370    H    ALA  46           H        ALA  46   4.241  -0.446  -5.087
  371    HA   ALA  46           HA       ALA  46   3.320  -2.200  -7.125
  372    HB1  ALA  46           HB1      ALA  46   6.172  -1.845  -6.156
  373    HB2  ALA  46           HB2      ALA  46   5.363  -0.763  -7.293
  374    HB3  ALA  46           HB3      ALA  46   5.656  -2.445  -7.736
  375    H    GLU  47           H        GLU  47   4.961  -2.740  -4.047
  376    HA   GLU  47           HA       GLU  47   5.431  -5.514  -4.294
  377    HB2  GLU  47           HB2      GLU  47   5.123  -3.628  -1.953
  378    HB3  GLU  47           HB3      GLU  47   5.379  -5.360  -1.713
  379    HG2  GLU  47           HG2      GLU  47   7.197  -3.628  -3.417
  380    HG3  GLU  47           HG3      GLU  47   7.502  -3.954  -1.714
  381    H    ALA  48           H        ALA  48   2.637  -3.616  -3.235
  382    HA   ALA  48           HA       ALA  48   1.084  -5.805  -2.263
  383    HB1  ALA  48           HB1      ALA  48  -0.759  -4.295  -2.250
  384    HB2  ALA  48           HB2      ALA  48  -0.035  -3.275  -3.493
  385    HB3  ALA  48           HB3      ALA  48   0.652  -3.311  -1.869
  386    H    LYS  49           H        LYS  49   1.500  -4.237  -5.394
  387    HA   LYS  49           HA       LYS  49  -0.481  -5.676  -6.832
  388    HB2  LYS  49           HB2      LYS  49   1.877  -3.985  -7.505
  389    HB3  LYS  49           HB3      LYS  49   1.338  -5.083  -8.762
  390    HG2  LYS  49           HG2      LYS  49  -0.621  -3.319  -7.292
  391    HG3  LYS  49           HG3      LYS  49   0.307  -2.698  -8.658
  392    HD2  LYS  49           HD2      LYS  49  -0.659  -4.222 -10.177
  393    HD3  LYS  49           HD3      LYS  49  -1.212  -5.298  -8.892
  394    HE2  LYS  49           HE2      LYS  49  -3.125  -4.083  -9.749
  395    HE3  LYS  49           HE3      LYS  49  -2.778  -3.474  -8.135
  396    HZ1  LYS  49           HZ1      LYS  49  -1.270  -2.021 -10.008
  397    HZ2  LYS  49           HZ2      LYS  49  -2.492  -1.456  -8.973
  398    HZ3  LYS  49           HZ3      LYS  49  -2.888  -2.038 -10.523
  399    H    LYS  50           H        LYS  50   2.935  -6.248  -6.119
  400    HA   LYS  50           HA       LYS  50   3.358  -8.503  -7.757
  401    HB2  LYS  50           HB2      LYS  50   5.105  -7.134  -6.585
  402    HB3  LYS  50           HB3      LYS  50   4.631  -7.907  -5.076
  403    HG2  LYS  50           HG2      LYS  50   5.238 -10.104  -5.952
  404    HG3  LYS  50           HG3      LYS  50   5.569  -9.414  -7.541
  405    HD2  LYS  50           HD2      LYS  50   7.709  -9.604  -6.545
  406    HD3  LYS  50           HD3      LYS  50   7.282  -7.906  -6.336
  407    HE2  LYS  50           HE2      LYS  50   6.460  -8.441  -4.030
  408    HE3  LYS  50           HE3      LYS  50   7.024 -10.098  -4.249
  409    HZ1  LYS  50           HZ1      LYS  50   9.219  -8.822  -4.907
  410    HZ2  LYS  50           HZ2      LYS  50   8.858  -9.203  -3.295
  411    HZ3  LYS  50           HZ3      LYS  50   8.557  -7.635  -3.883
  412    H    LEU  51           H        LEU  51   2.513  -8.302  -4.293
  413    HA   LEU  51           HA       LEU  51   2.218 -11.102  -3.920
  414    HB2  LEU  51           HB2      LEU  51   1.199  -8.730  -2.353
  415    HB3  LEU  51           HB3      LEU  51   0.971 -10.395  -1.822
  416    HG   LEU  51           HG       LEU  51   3.674  -9.142  -2.435
  417   HD11  LEU  51          HD11      LEU  51   2.726  -8.078  -0.474
  418   HD12  LEU  51          HD12      LEU  51   3.972  -9.204   0.052
  419   HD13  LEU  51          HD13      LEU  51   2.269  -9.636   0.210
  420   HD21  LEU  51          HD21      LEU  51   2.759 -11.846  -1.450
  421   HD22  LEU  51          HD22      LEU  51   4.339 -11.225  -0.973
  422   HD23  LEU  51          HD23      LEU  51   3.967 -11.462  -2.677
  423    H    ASN  52           H        ASN  52  -0.030  -8.544  -4.880
  424    HA   ASN  52           HA       ASN  52  -2.452 -10.006  -4.695
  425    HB2  ASN  52           HB2      ASN  52  -2.837  -7.747  -5.048
  426    HB3  ASN  52           HB3      ASN  52  -1.519  -7.591  -6.198
  427   HD21  ASN  52          HD21      ASN  52  -4.939  -8.452  -5.870
  428   HD22  ASN  52          HD22      ASN  52  -5.264  -8.517  -7.537
  429    H    ASP  53           H        ASP  53  -0.189  -9.500  -7.385
  430    HA   ASP  53           HA       ASP  53  -1.535 -11.135  -9.269
  431    HB2  ASP  53           HB2      ASP  53   0.194  -9.458  -9.836
  432    HB3  ASP  53           HB3      ASP  53   1.417 -10.467  -9.096
  433    H    ALA  54           H        ALA  54   0.923 -11.814  -6.819
  434    HA   ALA  54           HA       ALA  54   1.452 -14.462  -7.717
  435    HB1  ALA  54           HB1      ALA  54   1.998 -13.231  -5.008
  436    HB2  ALA  54           HB2      ALA  54   3.069 -13.139  -6.406
  437    HB3  ALA  54           HB3      ALA  54   2.735 -14.699  -5.653
  438    H    GLN  55           H        GLN  55  -0.394 -13.249  -4.863
  439    HA   GLN  55           HA       GLN  55  -1.233 -15.859  -4.066
  440    HB2  GLN  55           HB2      GLN  55  -2.351 -13.134  -3.324
  441    HB3  GLN  55           HB3      GLN  55  -2.843 -14.657  -2.589
  442    HG2  GLN  55           HG2      GLN  55  -0.753 -15.004  -1.585
  443    HG3  GLN  55           HG3      GLN  55   0.077 -13.919  -2.702
  444   HE21  GLN  55          HE21      GLN  55  -1.196 -11.578  -2.607
  445   HE22  GLN  55          HE22      GLN  55  -1.337 -10.969  -1.030
  446    H    ALA  56           H        ALA  56  -2.500 -13.591  -6.389
  447    HA   ALA  56           HA       ALA  56  -5.179 -14.371  -6.536
  448    HB1  ALA  56           HB1      ALA  56  -4.572 -12.479  -7.808
  449    HB2  ALA  56           HB2      ALA  56  -4.920 -13.710  -9.022
  450    HB3  ALA  56           HB3      ALA  56  -3.249 -13.329  -8.606
  451    HA   PRO  57           HA       PRO  57  -5.043 -18.511  -8.128
  452    HB2  PRO  57           HB2      PRO  57  -7.445 -18.646  -9.440
  453    HB3  PRO  57           HB3      PRO  57  -7.296 -18.658  -7.673
  454    HG2  PRO  57           HG2      PRO  57  -8.027 -16.422  -9.493
  455    HG3  PRO  57           HG3      PRO  57  -8.671 -16.837  -7.896
  456    HD2  PRO  57           HD2      PRO  57  -6.837 -14.837  -8.312
  457    HD3  PRO  57           HD3      PRO  57  -6.986 -15.725  -6.780
  458    H    LYS  58           H        LYS  58  -4.765 -19.752 -10.030
  459    HA   LYS  58           HA       LYS  58  -4.045 -20.209 -12.153
  460    HB2  LYS  58           HB2      LYS  58  -5.635 -17.735 -12.906
  461    HB3  LYS  58           HB3      LYS  58  -5.052 -18.968 -14.019
  462    HG2  LYS  58           HG2      LYS  58  -6.384 -20.674 -12.725
  463    HG3  LYS  58           HG3      LYS  58  -7.077 -19.351 -11.788
  464    HD2  LYS  58           HD2      LYS  58  -7.264 -19.635 -14.809
  465    HD3  LYS  58           HD3      LYS  58  -8.552 -20.028 -13.673
  466    HE2  LYS  58           HE2      LYS  58  -9.209 -17.875 -14.070
  467    HE3  LYS  58           HE3      LYS  58  -7.971 -17.481 -12.877
  468    HZ1  LYS  58           HZ1      LYS  58  -6.432 -17.544 -14.962
  469    HZ2  LYS  58           HZ2      LYS  58  -7.350 -16.160 -14.622
  470    HZ3  LYS  58           HZ3      LYS  58  -7.879 -17.259 -15.806
  Start of MODEL   22
    1    H    VAL   1           H        VAL   1   4.972  20.232   4.662
    2    HA   VAL   1           HA       VAL   1   5.374  19.025   1.982
    3    HB   VAL   1           HB       VAL   1   7.281  18.822   3.685
    4   HG11  VAL   1          HG11      VAL   1   5.361  16.943   5.094
    5   HG12  VAL   1          HG12      VAL   1   5.717  18.572   5.668
    6   HG13  VAL   1          HG13      VAL   1   7.001  17.369   5.581
    7   HG21  VAL   1          HG21      VAL   1   7.745  16.590   3.056
    8   HG22  VAL   1          HG22      VAL   1   6.683  17.173   1.775
    9   HG23  VAL   1          HG23      VAL   1   6.042  16.136   3.052
   10    H    ASP   2           H        ASP   2   3.101  19.830   4.165
   11    HA   ASP   2           HA       ASP   2   1.762  17.506   4.926
   12    HB2  ASP   2           HB2      ASP   2   1.224  19.813   5.706
   13    HB3  ASP   2           HB3      ASP   2   0.493  20.143   4.136
   14    H    ASN   3           H        ASN   3   1.570  19.319   1.871
   15    HA   ASN   3           HA       ASN   3  -0.594  17.937   0.721
   16    HB2  ASN   3           HB2      ASN   3   0.228  18.768  -1.428
   17    HB3  ASN   3           HB3      ASN   3   0.318  20.030  -0.208
   18   HD21  ASN   3          HD21      ASN   3   1.968  19.514  -2.755
   19   HD22  ASN   3          HD22      ASN   3   3.579  19.573  -2.217
   20    H    LYS   4           H        LYS   4   2.878  17.238   0.705
   21    HA   LYS   4           HA       LYS   4   2.757  14.963  -1.017
   22    HB2  LYS   4           HB2      LYS   4   4.834  16.214  -0.653
   23    HB3  LYS   4           HB3      LYS   4   4.815  15.784   1.054
   24    HG2  LYS   4           HG2      LYS   4   4.900  13.344   0.345
   25    HG3  LYS   4           HG3      LYS   4   5.162  13.903  -1.305
   26    HD2  LYS   4           HD2      LYS   4   7.305  14.630  -0.869
   27    HD3  LYS   4           HD3      LYS   4   6.935  15.068   0.797
   28    HE2  LYS   4           HE2      LYS   4   8.409  13.145   0.833
   29    HE3  LYS   4           HE3      LYS   4   6.808  12.618   1.352
   30    HZ1  LYS   4           HZ1      LYS   4   7.739  12.431  -1.458
   31    HZ2  LYS   4           HZ2      LYS   4   6.371  11.698  -0.770
   32    HZ3  LYS   4           HZ3      LYS   4   7.930  11.169  -0.338
   33    H    PHE   5           H        PHE   5   3.067  15.287   2.519
   34    HA   PHE   5           HA       PHE   5   3.039  12.542   3.103
   35    HB2  PHE   5           HB2      PHE   5   3.155  14.990   4.578
   36    HB3  PHE   5           HB3      PHE   5   1.927  13.969   5.322
   37    HD1  PHE   5           HD1      PHE   5   2.676  11.334   5.323
   38    HD2  PHE   5           HD2      PHE   5   5.328  14.714   5.424
   39    HE1  PHE   5           HE1      PHE   5   4.443   9.910   6.313
   40    HE2  PHE   5           HE2      PHE   5   7.096  13.293   6.423
   41    HZ   PHE   5           HZ       PHE   5   6.657  10.896   6.867
   42    H    ASN   6           H        ASN   6   0.362  14.676   2.409
   43    HA   ASN   6           HA       ASN   6  -1.564  12.801   3.569
   44    HB2  ASN   6           HB2      ASN   6  -1.834  15.515   2.290
   45    HB3  ASN   6           HB3      ASN   6  -3.223  14.510   2.688
   46   HD21  ASN   6          HD21      ASN   6  -0.140  15.218   4.445
   47   HD22  ASN   6          HD22      ASN   6  -0.906  15.677   5.889
   48    H    LYS   7           H        LYS   7  -1.249  14.369   0.370
   49    HA   LYS   7           HA       LYS   7  -3.091  12.774  -0.984
   50    HB2  LYS   7           HB2      LYS   7  -0.641  14.152  -2.111
   51    HB3  LYS   7           HB3      LYS   7  -2.015  13.578  -3.052
   52    HG2  LYS   7           HG2      LYS   7  -2.205  15.647  -0.830
   53    HG3  LYS   7           HG3      LYS   7  -2.122  16.032  -2.547
   54    HD2  LYS   7           HD2      LYS   7  -4.193  14.607  -2.879
   55    HD3  LYS   7           HD3      LYS   7  -4.315  14.491  -1.124
   56    HE2  LYS   7           HE2      LYS   7  -4.446  16.951  -0.962
   57    HE3  LYS   7           HE3      LYS   7  -4.323  17.074  -2.717
   58    HZ1  LYS   7           HZ1      LYS   7  -6.377  15.268  -1.816
   59    HZ2  LYS   7           HZ2      LYS   7  -6.452  16.502  -2.978
   60    HZ3  LYS   7           HZ3      LYS   7  -6.631  16.876  -1.330
   61    H    GLU   8           H        GLU   8   0.450  12.333  -0.821
   62    HA   GLU   8           HA       GLU   8   0.647  10.143  -2.556
   63    HB2  GLU   8           HB2      GLU   8   2.555  11.478  -1.625
   64    HB3  GLU   8           HB3      GLU   8   2.338  10.636  -0.091
   65    HG2  GLU   8           HG2      GLU   8   2.680   8.459  -1.294
   66    HG3  GLU   8           HG3      GLU   8   3.030   9.370  -2.762
   67    H    MET   9           H        MET   9   0.177  10.192   0.969
   68    HA   MET   9           HA       MET   9   0.167   7.401   1.372
   69    HB2  MET   9           HB2      MET   9  -0.426   9.788   2.942
   70    HB3  MET   9           HB3      MET   9  -1.559   8.497   3.309
   71    HG2  MET   9           HG2      MET   9   0.016   7.600   4.647
   72    HG3  MET   9           HG3      MET   9   0.957   7.228   3.211
   73    HE1  MET   9           HE1      MET   9   2.356   8.869   1.997
   74    HE2  MET   9           HE2      MET   9   3.258  10.205   2.721
   75    HE3  MET   9           HE3      MET   9   1.583  10.437   2.231
   76    H    ARG  10           H        ARG  10  -2.527   9.696   0.955
   77    HA   ARG  10           HA       ARG  10  -4.648   7.899   1.145
   78    HB2  ARG  10           HB2      ARG  10  -4.806  10.403   1.075
   79    HB3  ARG  10           HB3      ARG  10  -4.539  10.325  -0.666
   80    HG2  ARG  10           HG2      ARG  10  -6.561   8.990  -0.963
   81    HG3  ARG  10           HG3      ARG  10  -6.798   8.898   0.780
   82    HD2  ARG  10           HD2      ARG  10  -8.269  10.612  -0.051
   83    HD3  ARG  10           HD3      ARG  10  -6.960  11.420   0.806
   84    HE   ARG  10           HE       ARG  10  -6.130  11.294  -1.829
   85   HH11  ARG  10          HH11      ARG  10  -8.851  12.603  -0.105
   86   HH12  ARG  10          HH12      ARG  10  -9.124  13.874  -1.248
   87   HH21  ARG  10          HH21      ARG  10  -6.500  12.959  -3.308
   88   HH22  ARG  10          HH22      ARG  10  -7.806  14.067  -3.057
   89    H    ASN  11           H        ASN  11  -2.715   8.787  -1.709
   90    HA   ASN  11           HA       ASN  11  -4.217   7.448  -3.663
   91    HB2  ASN  11           HB2      ASN  11  -1.338   8.277  -3.460
   92    HB3  ASN  11           HB3      ASN  11  -1.862   7.279  -4.814
   93   HD21  ASN  11          HD21      ASN  11  -1.452  10.480  -3.935
   94   HD22  ASN  11          HD22      ASN  11  -2.571  11.191  -4.995
   95    H    ALA  12           H        ALA  12  -1.177   6.228  -2.137
   96    HA   ALA  12           HA       ALA  12  -1.586   3.593  -3.176
   97    HB1  ALA  12           HB1      ALA  12   0.407   2.982  -2.151
   98    HB2  ALA  12           HB2      ALA  12   0.146   4.054  -0.768
   99    HB3  ALA  12           HB3      ALA  12   0.624   4.725  -2.326
  100    H    TYR  13           H        TYR  13  -2.779   5.206  -0.329
  101    HA   TYR  13           HA       TYR  13  -3.254   3.026   1.379
  102    HB2  TYR  13           HB2      TYR  13  -3.528   5.349   2.113
  103    HB3  TYR  13           HB3      TYR  13  -4.898   5.552   1.031
  104    HD1  TYR  13           HD1      TYR  13  -7.063   4.483   1.521
  105    HD2  TYR  13           HD2      TYR  13  -3.703   4.016   4.162
  106    HE1  TYR  13           HE1      TYR  13  -8.568   3.606   3.284
  107    HE2  TYR  13           HE2      TYR  13  -5.213   3.139   5.923
  108    HH   TYR  13           HH       TYR  13  -7.902   1.878   5.575
  109    H    TRP  14           H        TRP  14  -5.625   4.568  -0.859
  110    HA   TRP  14           HA       TRP  14  -7.459   2.390  -0.499
  111    HB2  TRP  14           HB2      TRP  14  -8.998   3.604  -1.699
  112    HB3  TRP  14           HB3      TRP  14  -7.953   4.884  -1.111
  113    HD1  TRP  14           HD1      TRP  14  -8.167   2.652  -4.306
  114    HE1  TRP  14           HE1      TRP  14  -7.633   4.130  -6.343
  115    HE3  TRP  14           HE3      TRP  14  -7.255   7.102  -1.966
  116    HZ2  TRP  14           HZ2      TRP  14  -6.933   6.836  -6.916
  117    HZ3  TRP  14           HZ3      TRP  14  -6.670   9.116  -3.288
  118    HH2  TRP  14           HH2      TRP  14  -6.508   8.988  -5.758
  119    H    GLU  15           H        GLU  15  -5.047   3.185  -2.953
  120    HA   GLU  15           HA       GLU  15  -5.859   1.364  -4.935
  121    HB2  GLU  15           HB2      GLU  15  -4.098   3.151  -5.179
  122    HB3  GLU  15           HB3      GLU  15  -3.001   2.115  -4.274
  123    HG2  GLU  15           HG2      GLU  15  -2.598   1.748  -6.635
  124    HG3  GLU  15           HG3      GLU  15  -3.369   0.309  -5.983
  125    H    ILE  16           H        ILE  16  -3.589   0.914  -2.212
  126    HA   ILE  16           HA       ILE  16  -3.027  -1.833  -2.789
  127    HB   ILE  16           HB       ILE  16  -2.729  -0.211  -0.239
  128   HG12  ILE  16          HG12      ILE  16  -0.617  -1.173  -2.195
  129   HG13  ILE  16          HG13      ILE  16  -1.358   0.420  -2.293
  130   HG21  ILE  16          HG21      ILE  16  -2.697  -2.372   0.628
  131   HG22  ILE  16          HG22      ILE  16  -1.003  -2.189   0.181
  132   HG23  ILE  16          HG23      ILE  16  -2.099  -3.082  -0.871
  133   HD11  ILE  16          HD11      ILE  16   0.671   0.705  -1.055
  134   HD12  ILE  16          HD12      ILE  16   0.326  -0.695  -0.042
  135   HD13  ILE  16          HD13      ILE  16  -0.635   0.774   0.127
  136    H    ALA  17           H        ALA  17  -5.155  -0.261  -0.402
  137    HA   ALA  17           HA       ALA  17  -6.180  -2.534   0.829
  138    HB1  ALA  17           HB1      ALA  17  -8.074  -1.113   1.499
  139    HB2  ALA  17           HB2      ALA  17  -7.596   0.092   0.302
  140    HB3  ALA  17           HB3      ALA  17  -6.541  -0.258   1.672
  141    H    LEU  18           H        LEU  18  -6.906  -1.215  -2.314
  142    HA   LEU  18           HA       LEU  18  -9.465  -2.210  -2.793
  143    HB2  LEU  18           HB2      LEU  18  -8.207  -0.653  -4.286
  144    HB3  LEU  18           HB3      LEU  18  -7.210  -2.009  -4.804
  145    HG   LEU  18           HG       LEU  18  -9.330  -3.185  -5.544
  146   HD11  LEU  18          HD11      LEU  18 -11.056  -2.118  -4.315
  147   HD12  LEU  18          HD12      LEU  18 -11.270  -1.524  -5.960
  148   HD13  LEU  18          HD13      LEU  18 -10.489  -0.505  -4.751
  149   HD21  LEU  18          HD21      LEU  18  -8.722  -0.490  -6.808
  150   HD22  LEU  18          HD22      LEU  18  -9.592  -1.808  -7.593
  151   HD23  LEU  18          HD23      LEU  18  -7.895  -2.008  -7.159
  152    H    LEU  19           H        LEU  19  -6.325  -3.890  -3.084
  153    HA   LEU  19           HA       LEU  19  -7.398  -6.235  -4.311
  154    HB2  LEU  19           HB2      LEU  19  -4.860  -5.842  -2.713
  155    HB3  LEU  19           HB3      LEU  19  -5.242  -7.292  -3.620
  156    HG   LEU  19           HG       LEU  19  -3.946  -6.195  -5.189
  157   HD11  LEU  19          HD11      LEU  19  -6.273  -6.436  -6.143
  158   HD12  LEU  19          HD12      LEU  19  -5.272  -5.211  -6.917
  159   HD13  LEU  19          HD13      LEU  19  -6.525  -4.728  -5.776
  160   HD21  LEU  19          HD21      LEU  19  -3.630  -4.207  -3.648
  161   HD22  LEU  19          HD22      LEU  19  -5.043  -3.487  -4.422
  162   HD23  LEU  19          HD23      LEU  19  -3.602  -3.846  -5.373
  163    HA   PRO  20           HA       PRO  20  -9.217  -7.766  -0.464
  164    HB2  PRO  20           HB2      PRO  20 -10.899  -9.535  -1.513
  165    HB3  PRO  20           HB3      PRO  20 -11.094  -7.802  -1.858
  166    HG2  PRO  20           HG2      PRO  20  -9.865  -9.934  -3.556
  167    HG3  PRO  20           HG3      PRO  20 -10.992  -8.647  -4.015
  168    HD2  PRO  20           HD2      PRO  20  -8.226  -8.509  -4.337
  169    HD3  PRO  20           HD3      PRO  20  -9.315  -7.104  -4.279
  170    H    ASN  21           H        ASN  21  -7.131  -9.635  -2.521
  171    HA   ASN  21           HA       ASN  21  -7.427 -12.056  -0.902
  172    HB2  ASN  21           HB2      ASN  21  -5.934 -13.074  -2.608
  173    HB3  ASN  21           HB3      ASN  21  -7.400 -12.379  -3.289
  174   HD21  ASN  21          HD21      ASN  21  -5.847 -12.480  -5.284
  175   HD22  ASN  21          HD22      ASN  21  -4.905 -11.092  -5.559
  176    H    LEU  22           H        LEU  22  -5.618  -9.275  -0.607
  177    HA   LEU  22           HA       LEU  22  -3.086 -10.471   0.089
  178    HB2  LEU  22           HB2      LEU  22  -4.172  -7.733   0.800
  179    HB3  LEU  22           HB3      LEU  22  -2.515  -8.281   1.064
  180    HG   LEU  22           HG       LEU  22  -3.720  -8.359  -1.696
  181   HD11  LEU  22          HD11      LEU  22  -2.782  -6.122  -2.097
  182   HD12  LEU  22          HD12      LEU  22  -2.247  -6.023  -0.420
  183   HD13  LEU  22          HD13      LEU  22  -3.969  -6.038  -0.795
  184   HD21  LEU  22          HD21      LEU  22  -1.479  -9.464  -0.920
  185   HD22  LEU  22          HD22      LEU  22  -0.862  -7.812  -0.884
  186   HD23  LEU  22          HD23      LEU  22  -1.474  -8.500  -2.390
  187    H    ASN  23           H        ASN  23  -2.488 -11.350   1.964
  188    HA   ASN  23           HA       ASN  23  -4.305 -12.027   3.993
  189    HB2  ASN  23           HB2      ASN  23  -2.053 -13.087   3.668
  190    HB3  ASN  23           HB3      ASN  23  -1.321 -11.646   4.369
  191   HD21  ASN  23          HD21      ASN  23  -3.557 -14.341   5.124
  192   HD22  ASN  23          HD22      ASN  23  -3.341 -14.247   6.807
  193    H    ASN  24           H        ASN  24  -4.727 -11.168   6.067
  194    HA   ASN  24           HA       ASN  24  -5.126  -8.434   6.294
  195    HB2  ASN  24           HB2      ASN  24  -6.184 -10.219   7.696
  196    HB3  ASN  24           HB3      ASN  24  -4.681 -10.346   8.602
  197   HD21  ASN  24          HD21      ASN  24  -7.209  -7.947   7.691
  198   HD22  ASN  24          HD22      ASN  24  -7.017  -7.000   9.088
  199    H    GLN  25           H        GLN  25  -2.432 -10.351   7.559
  200    HA   GLN  25           HA       GLN  25  -1.110  -8.232   8.913
  201    HB2  GLN  25           HB2      GLN  25  -0.057 -10.851   7.813
  202    HB3  GLN  25           HB3      GLN  25   0.881  -9.759   8.833
  203    HG2  GLN  25           HG2      GLN  25  -0.793  -9.960  10.623
  204    HG3  GLN  25           HG3      GLN  25  -1.776 -11.014   9.610
  205   HE21  GLN  25          HE21      GLN  25  -0.504 -11.679  12.233
  206   HE22  GLN  25          HE22      GLN  25   0.516 -13.000  11.929
  207    H    GLN  26           H        GLN  26  -0.761  -9.562   5.636
  208    HA   GLN  26           HA       GLN  26   1.482  -8.004   4.873
  209    HB2  GLN  26           HB2      GLN  26  -0.698  -9.289   3.207
  210    HB3  GLN  26           HB3      GLN  26   0.773  -8.579   2.542
  211    HG2  GLN  26           HG2      GLN  26   2.154 -10.153   3.812
  212    HG3  GLN  26           HG3      GLN  26   0.723 -10.826   4.587
  213   HE21  GLN  26          HE21      GLN  26  -1.048 -11.197   2.486
  214   HE22  GLN  26          HE22      GLN  26  -0.382 -12.253   1.332
  215    H    LYS  27           H        LYS  27  -2.017  -7.516   4.329
  216    HA   LYS  27           HA       LYS  27  -1.801  -5.109   2.873
  217    HB2  LYS  27           HB2      LYS  27  -3.861  -6.517   3.035
  218    HB3  LYS  27           HB3      LYS  27  -4.079  -5.949   4.690
  219    HG2  LYS  27           HG2      LYS  27  -4.167  -3.603   3.853
  220    HG3  LYS  27           HG3      LYS  27  -4.014  -4.201   2.202
  221    HD2  LYS  27           HD2      LYS  27  -6.241  -5.040   4.087
  222    HD3  LYS  27           HD3      LYS  27  -6.392  -3.715   2.935
  223    HE2  LYS  27           HE2      LYS  27  -5.501  -5.609   1.245
  224    HE3  LYS  27           HE3      LYS  27  -6.265  -6.659   2.437
  225    HZ1  LYS  27           HZ1      LYS  27  -8.328  -5.621   2.116
  226    HZ2  LYS  27           HZ2      LYS  27  -7.708  -5.847   0.551
  227    HZ3  LYS  27           HZ3      LYS  27  -7.649  -4.310   1.275
  228    H    ARG  28           H        ARG  28  -2.360  -5.665   6.349
  229    HA   ARG  28           HA       ARG  28  -2.451  -2.953   7.132
  230    HB2  ARG  28           HB2      ARG  28  -3.194  -4.884   8.533
  231    HB3  ARG  28           HB3      ARG  28  -1.504  -5.327   8.768
  232    HG2  ARG  28           HG2      ARG  28  -1.074  -3.112   9.806
  233    HG3  ARG  28           HG3      ARG  28  -2.770  -2.685   9.583
  234    HD2  ARG  28           HD2      ARG  28  -3.401  -4.665  10.983
  235    HD3  ARG  28           HD3      ARG  28  -1.687  -4.953  11.283
  236    HE   ARG  28           HE       ARG  28  -2.273  -2.283  11.970
  237   HH11  ARG  28          HH11      ARG  28  -2.982  -5.522  13.012
  238   HH12  ARG  28          HH12      ARG  28  -3.204  -5.076  14.669
  239   HH21  ARG  28          HH21      ARG  28  -2.566  -1.718  14.136
  240   HH22  ARG  28          HH22      ARG  28  -2.970  -2.932  15.302
  241    H    ALA  29           H        ALA  29   0.233  -5.237   6.798
  242    HA   ALA  29           HA       ALA  29   2.253  -3.665   7.974
  243    HB1  ALA  29           HB1      ALA  29   3.815  -5.137   6.684
  244    HB2  ALA  29           HB2      ALA  29   2.414  -5.834   5.872
  245    HB3  ALA  29           HB3      ALA  29   2.605  -6.020   7.615
  246    H    PHE  30           H        PHE  30   1.223  -3.905   4.530
  247    HA   PHE  30           HA       PHE  30   3.260  -2.256   3.494
  248    HB2  PHE  30           HB2      PHE  30   0.496  -2.955   2.529
  249    HB3  PHE  30           HB3      PHE  30   1.472  -1.776   1.656
  250    HD1  PHE  30           HD1      PHE  30   4.089  -2.598   1.463
  251    HD2  PHE  30           HD2      PHE  30   0.640  -5.150   1.700
  252    HE1  PHE  30           HE1      PHE  30   5.362  -4.414   0.365
  253    HE2  PHE  30           HE2      PHE  30   1.917  -6.967   0.606
  254    HZ   PHE  30           HZ       PHE  30   4.282  -6.598  -0.067
  255    H    ILE  31           H        ILE  31  -0.111  -1.311   4.278
  256    HA   ILE  31           HA       ILE  31   0.215   1.429   3.808
  257    HB   ILE  31           HB       ILE  31  -1.696   0.020   5.700
  258   HG12  ILE  31          HG12      ILE  31  -2.016   1.064   2.849
  259   HG13  ILE  31          HG13      ILE  31  -1.910  -0.634   3.306
  260   HG21  ILE  31          HG21      ILE  31  -1.507   2.374   6.348
  261   HG22  ILE  31          HG22      ILE  31  -3.035   2.138   5.509
  262   HG23  ILE  31          HG23      ILE  31  -1.676   2.883   4.668
  263   HD11  ILE  31          HD11      ILE  31  -4.214   1.187   3.407
  264   HD12  ILE  31          HD12      ILE  31  -3.981   0.283   4.906
  265   HD13  ILE  31          HD13      ILE  31  -4.173  -0.575   3.379
  266    H    ARG  32           H        ARG  32   0.667  -0.417   6.845
  267    HA   ARG  32           HA       ARG  32   1.218   1.806   8.511
  268    HB2  ARG  32           HB2      ARG  32   0.717  -0.501   9.327
  269    HB3  ARG  32           HB3      ARG  32   2.310  -1.014   8.773
  270    HG2  ARG  32           HG2      ARG  32   3.363   0.660  10.278
  271    HG3  ARG  32           HG3      ARG  32   1.766   1.149  10.840
  272    HD2  ARG  32           HD2      ARG  32   1.372  -1.216  11.590
  273    HD3  ARG  32           HD3      ARG  32   3.040  -1.586  11.165
  274    HE   ARG  32           HE       ARG  32   2.130  -0.150  13.498
  275   HH11  ARG  32          HH11      ARG  32   4.765  -0.559  11.264
  276   HH12  ARG  32          HH12      ARG  32   5.965  -0.018  12.388
  277   HH21  ARG  32          HH21      ARG  32   3.707   0.551  14.945
  278   HH22  ARG  32          HH22      ARG  32   5.368   0.608  14.461
  279    H    SER  33           H        SER  33   3.418  -0.393   6.759
  280    HA   SER  33           HA       SER  33   5.861   0.801   7.478
  281    HB2  SER  33           HB2      SER  33   5.594  -1.408   6.313
  282    HB3  SER  33           HB3      SER  33   5.225  -0.528   4.834
  283    HG   SER  33           HG       SER  33   7.329   0.603   5.392
  284    H    LEU  34           H        LEU  34   3.452   1.699   5.118
  285    HA   LEU  34           HA       LEU  34   4.937   3.437   3.475
  286    HB2  LEU  34           HB2      LEU  34   2.290   2.609   3.657
  287    HB3  LEU  34           HB3      LEU  34   2.186   4.319   4.043
  288    HG   LEU  34           HG       LEU  34   3.948   3.892   1.762
  289   HD11  LEU  34          HD11      LEU  34   1.076   2.955   1.447
  290   HD12  LEU  34          HD12      LEU  34   2.477   1.884   1.463
  291   HD13  LEU  34          HD13      LEU  34   2.290   3.072   0.172
  292   HD21  LEU  34          HD21      LEU  34   1.313   5.353   2.151
  293   HD22  LEU  34          HD22      LEU  34   2.373   5.540   0.755
  294   HD23  LEU  34          HD23      LEU  34   2.925   6.047   2.352
  295    H    TYR  35           H        TYR  35   3.128   4.027   6.480
  296    HA   TYR  35           HA       TYR  35   3.647   6.815   6.657
  297    HB2  TYR  35           HB2      TYR  35   1.873   5.622   7.958
  298    HB3  TYR  35           HB3      TYR  35   3.133   4.856   8.921
  299    HD1  TYR  35           HD1      TYR  35   1.555   8.105   8.044
  300    HD2  TYR  35           HD2      TYR  35   4.327   6.082  10.636
  301    HE1  TYR  35           HE1      TYR  35   1.656  10.107   9.504
  302    HE2  TYR  35           HE2      TYR  35   4.425   8.087  12.091
  303    HH   TYR  35           HH       TYR  35   3.948  10.769  11.559
  304    H    ASP  36           H        ASP  36   5.321   3.928   7.818
  305    HA   ASP  36           HA       ASP  36   7.282   5.156   9.420
  306    HB2  ASP  36           HB2      ASP  36   6.768   2.684   9.289
  307    HB3  ASP  36           HB3      ASP  36   7.665   2.644   7.774
  308    H    ASP  37           H        ASP  37   7.153   4.591   5.925
  309    HA   ASP  37           HA       ASP  37   9.247   6.561   5.500
  310    HB2  ASP  37           HB2      ASP  37   9.911   3.765   5.555
  311    HB3  ASP  37           HB3      ASP  37  10.079   4.340   3.903
  312    HA   PRO  38           HA       PRO  38   5.946   6.740   2.276
  313    HB2  PRO  38           HB2      PRO  38   7.068   9.472   1.961
  314    HB3  PRO  38           HB3      PRO  38   5.387   8.965   2.206
  315    HG2  PRO  38           HG2      PRO  38   6.805  10.152   4.134
  316    HG3  PRO  38           HG3      PRO  38   5.598   8.903   4.483
  317    HD2  PRO  38           HD2      PRO  38   8.584   8.683   4.469
  318    HD3  PRO  38           HD3      PRO  38   7.397   7.897   5.531
  319    H    SER  39           H        SER  39   9.355   7.263   2.247
  320    HA   SER  39           HA       SER  39   9.865   7.848  -0.444
  321    HB2  SER  39           HB2      SER  39  12.126   7.072  -0.008
  322    HB3  SER  39           HB3      SER  39  11.540   7.973   1.387
  323    HG   SER  39           HG       SER  39  11.731   6.221   2.536
  324    H    GLN  40           H        GLN  40   8.924   4.828   1.066
  325    HA   GLN  40           HA       GLN  40   9.607   3.316  -1.375
  326    HB2  GLN  40           HB2      GLN  40   8.611   2.218   1.264
  327    HB3  GLN  40           HB3      GLN  40   9.366   1.326  -0.050
  328    HG2  GLN  40           HG2      GLN  40  10.698   3.425   1.685
  329    HG3  GLN  40           HG3      GLN  40  10.985   1.692   1.751
  330   HE21  GLN  40          HE21      GLN  40  12.303   4.503   0.533
  331   HE22  GLN  40          HE22      GLN  40  13.171   3.848  -0.776
  332    H    SER  41           H        SER  41   6.989   5.047  -0.292
  333    HA   SER  41           HA       SER  41   4.751   3.464  -0.379
  334    HB2  SER  41           HB2      SER  41   4.966   6.150  -1.754
  335    HB3  SER  41           HB3      SER  41   3.494   5.382  -1.163
  336    HG   SER  41           HG       SER  41   5.080   6.973   0.156
  337    H    ALA  42           H        ALA  42   6.606   4.601  -3.181
  338    HA   ALA  42           HA       ALA  42   4.828   3.625  -5.175
  339    HB1  ALA  42           HB1      ALA  42   7.829   4.062  -5.304
  340    HB2  ALA  42           HB2      ALA  42   6.594   5.265  -5.675
  341    HB3  ALA  42           HB3      ALA  42   6.764   3.836  -6.692
  342    H    ASN  43           H        ASN  43   7.710   2.241  -3.611
  343    HA   ASN  43           HA       ASN  43   7.707  -0.218  -5.044
  344    HB2  ASN  43           HB2      ASN  43   8.868   0.434  -2.320
  345    HB3  ASN  43           HB3      ASN  43   9.218  -1.013  -3.256
  346   HD21  ASN  43          HD21      ASN  43  11.283   0.762  -2.499
  347   HD22  ASN  43          HD22      ASN  43  11.892   1.524  -3.892
  348    H    LEU  44           H        LEU  44   6.494   0.658  -1.796
  349    HA   LEU  44           HA       LEU  44   5.583  -1.868  -1.004
  350    HB2  LEU  44           HB2      LEU  44   4.356   0.797  -0.350
  351    HB3  LEU  44           HB3      LEU  44   4.109  -0.678   0.550
  352    HG   LEU  44           HG       LEU  44   6.725   0.849   0.263
  353   HD11  LEU  44          HD11      LEU  44   6.505   1.110   2.711
  354   HD12  LEU  44          HD12      LEU  44   4.942   0.294   2.645
  355   HD13  LEU  44          HD13      LEU  44   5.160   1.850   1.845
  356   HD21  LEU  44          HD21      LEU  44   7.299  -1.494   0.308
  357   HD22  LEU  44          HD22      LEU  44   6.139  -1.806   1.601
  358   HD23  LEU  44          HD23      LEU  44   7.585  -0.847   1.921
  359    H    LEU  45           H        LEU  45   3.891   0.687  -2.832
  360    HA   LEU  45           HA       LEU  45   1.352  -0.541  -2.995
  361    HB2  LEU  45           HB2      LEU  45   1.474   1.738  -3.619
  362    HB3  LEU  45           HB3      LEU  45   2.825   1.455  -4.704
  363    HG   LEU  45           HG       LEU  45   1.339   0.228  -6.261
  364   HD11  LEU  45          HD11      LEU  45  -1.048   0.078  -5.904
  365   HD12  LEU  45          HD12      LEU  45  -0.937   1.022  -4.419
  366   HD13  LEU  45          HD13      LEU  45  -0.257  -0.601  -4.486
  367   HD21  LEU  45          HD21      LEU  45   1.596   2.680  -6.498
  368   HD22  LEU  45          HD22      LEU  45   0.201   2.923  -5.447
  369   HD23  LEU  45          HD23      LEU  45  -0.001   2.144  -7.016
  370    H    ALA  46           H        ALA  46   4.081  -0.559  -5.225
  371    HA   ALA  46           HA       ALA  46   3.020  -2.358  -7.143
  372    HB1  ALA  46           HB1      ALA  46   5.030  -0.930  -7.511
  373    HB2  ALA  46           HB2      ALA  46   5.321  -2.622  -7.912
  374    HB3  ALA  46           HB3      ALA  46   5.932  -1.956  -6.396
  375    H    GLU  47           H        GLU  47   4.939  -2.859  -4.223
  376    HA   GLU  47           HA       GLU  47   5.354  -5.649  -4.454
  377    HB2  GLU  47           HB2      GLU  47   5.359  -3.692  -2.147
  378    HB3  GLU  47           HB3      GLU  47   5.601  -5.426  -1.884
  379    HG2  GLU  47           HG2      GLU  47   7.254  -3.797  -3.841
  380    HG3  GLU  47           HG3      GLU  47   7.742  -4.082  -2.175
  381    H    ALA  48           H        ALA  48   2.752  -3.722  -3.028
  382    HA   ALA  48           HA       ALA  48   1.370  -5.840  -1.748
  383    HB1  ALA  48           HB1      ALA  48   0.246  -3.273  -2.907
  384    HB2  ALA  48           HB2      ALA  48   0.933  -3.442  -1.292
  385    HB3  ALA  48           HB3      ALA  48  -0.540  -4.311  -1.719
  386    H    LYS  49           H        LYS  49   1.096  -4.382  -4.965
  387    HA   LYS  49           HA       LYS  49  -1.057  -5.970  -5.890
  388    HB2  LYS  49           HB2      LYS  49  -0.041  -3.808  -6.901
  389    HB3  LYS  49           HB3      LYS  49   1.108  -4.891  -7.690
  390    HG2  LYS  49           HG2      LYS  49  -0.772  -6.158  -8.686
  391    HG3  LYS  49           HG3      LYS  49  -1.917  -5.070  -7.905
  392    HD2  LYS  49           HD2      LYS  49  -0.318  -3.260  -9.177
  393    HD3  LYS  49           HD3      LYS  49  -0.198  -4.629 -10.279
  394    HE2  LYS  49           HE2      LYS  49  -2.776  -4.737 -10.147
  395    HE3  LYS  49           HE3      LYS  49  -2.675  -3.127  -9.426
  396    HZ1  LYS  49           HZ1      LYS  49  -1.362  -2.444 -11.394
  397    HZ2  LYS  49           HZ2      LYS  49  -2.952  -2.893 -11.771
  398    HZ3  LYS  49           HZ3      LYS  49  -1.670  -3.960 -12.095
  399    H    LYS  50           H        LYS  50   2.425  -6.473  -5.745
  400    HA   LYS  50           HA       LYS  50   2.675  -8.671  -7.488
  401    HB2  LYS  50           HB2      LYS  50   4.535  -7.318  -6.415
  402    HB3  LYS  50           HB3      LYS  50   4.242  -8.228  -4.937
  403    HG2  LYS  50           HG2      LYS  50   4.761 -10.329  -6.057
  404    HG3  LYS  50           HG3      LYS  50   4.904  -9.504  -7.610
  405    HD2  LYS  50           HD2      LYS  50   7.146  -9.735  -6.886
  406    HD3  LYS  50           HD3      LYS  50   6.732  -8.071  -6.477
  407    HE2  LYS  50           HE2      LYS  50   6.108  -8.931  -4.151
  408    HE3  LYS  50           HE3      LYS  50   6.863 -10.457  -4.612
  409    HZ1  LYS  50           HZ1      LYS  50   8.303  -7.897  -4.918
  410    HZ2  LYS  50           HZ2      LYS  50   8.936  -9.468  -4.793
  411    HZ3  LYS  50           HZ3      LYS  50   8.277  -8.705  -3.423
  412    H    LEU  51           H        LEU  51   2.061  -8.523  -3.979
  413    HA   LEU  51           HA       LEU  51   1.864 -11.328  -3.577
  414    HB2  LEU  51           HB2      LEU  51   1.152  -8.885  -2.022
  415    HB3  LEU  51           HB3      LEU  51   0.357 -10.384  -1.538
  416    HG   LEU  51           HG       LEU  51   3.354 -10.263  -1.981
  417   HD11  LEU  51          HD11      LEU  51   1.773  -9.468   0.468
  418   HD12  LEU  51          HD12      LEU  51   3.088  -8.601  -0.324
  419   HD13  LEU  51          HD13      LEU  51   3.428 -10.066   0.592
  420   HD21  LEU  51          HD21      LEU  51   3.204 -12.153  -0.264
  421   HD22  LEU  51          HD22      LEU  51   2.496 -12.502  -1.840
  422   HD23  LEU  51          HD23      LEU  51   1.454 -12.093  -0.477
  423    H    ASN  52           H        ASN  52  -0.477  -8.851  -4.483
  424    HA   ASN  52           HA       ASN  52  -2.834 -10.405  -4.251
  425    HB2  ASN  52           HB2      ASN  52  -3.088  -8.053  -4.467
  426    HB3  ASN  52           HB3      ASN  52  -2.095  -7.994  -5.914
  427   HD21  ASN  52          HD21      ASN  52  -5.297  -8.990  -4.703
  428   HD22  ASN  52          HD22      ASN  52  -6.039  -9.028  -6.232
  429    H    ASP  53           H        ASP  53  -0.689  -9.744  -7.003
  430    HA   ASP  53           HA       ASP  53  -2.058 -11.315  -8.913
  431    HB2  ASP  53           HB2      ASP  53  -0.333  -9.607  -9.433
  432    HB3  ASP  53           HB3      ASP  53   0.902 -10.675  -8.802
  433    H    ALA  54           H        ALA  54   0.511 -12.105  -6.608
  434    HA   ALA  54           HA       ALA  54   0.970 -14.720  -7.641
  435    HB1  ALA  54           HB1      ALA  54   2.675 -13.466  -6.379
  436    HB2  ALA  54           HB2      ALA  54   2.357 -15.040  -5.650
  437    HB3  ALA  54           HB3      ALA  54   1.679 -13.579  -4.929
  438    H    GLN  55           H        GLN  55  -0.693 -13.580  -4.678
  439    HA   GLN  55           HA       GLN  55  -1.528 -16.158  -3.825
  440    HB2  GLN  55           HB2      GLN  55  -2.614 -13.409  -3.127
  441    HB3  GLN  55           HB3      GLN  55  -3.089 -14.906  -2.328
  442    HG2  GLN  55           HG2      GLN  55  -0.886 -15.272  -1.481
  443    HG3  GLN  55           HG3      GLN  55  -0.196 -14.033  -2.530
  444   HE21  GLN  55          HE21      GLN  55  -1.663 -11.822  -2.195
  445   HE22  GLN  55          HE22      GLN  55  -1.785 -11.360  -0.569
  446    H    ALA  56           H        ALA  56  -2.905 -13.878  -6.085
  447    HA   ALA  56           HA       ALA  56  -5.580 -14.631  -6.101
  448    HB1  ALA  56           HB1      ALA  56  -5.458 -13.958  -8.583
  449    HB2  ALA  56           HB2      ALA  56  -3.755 -13.621  -8.273
  450    HB3  ALA  56           HB3      ALA  56  -5.005 -12.746  -7.385
  451    HA   PRO  57           HA       PRO  57  -5.541 -18.778  -7.718
  452    HB2  PRO  57           HB2      PRO  57  -8.126 -18.995  -8.541
  453    HB3  PRO  57           HB3      PRO  57  -7.670 -18.938  -6.827
  454    HG2  PRO  57           HG2      PRO  57  -8.753 -16.775  -8.568
  455    HG3  PRO  57           HG3      PRO  57  -9.129 -17.162  -6.880
  456    HD2  PRO  57           HD2      PRO  57  -7.420 -15.139  -7.632
  457    HD3  PRO  57           HD3      PRO  57  -7.327 -15.979  -6.069
  458    H    LYS  58           H        LYS  58  -5.576 -19.987  -9.667
  459    HA   LYS  58           HA       LYS  58  -5.007 -18.461 -12.062
  460    HB2  LYS  58           HB2      LYS  58  -5.171 -21.468 -11.679
  461    HB3  LYS  58           HB3      LYS  58  -4.461 -20.632 -13.058
  462    HG2  LYS  58           HG2      LYS  58  -3.479 -20.345 -10.195
  463    HG3  LYS  58           HG3      LYS  58  -2.760 -21.420 -11.391
  464    HD2  LYS  58           HD2      LYS  58  -2.332 -19.443 -12.864
  465    HD3  LYS  58           HD3      LYS  58  -2.958 -18.394 -11.595
  466    HE2  LYS  58           HE2      LYS  58  -0.519 -18.456 -11.470
  467    HE3  LYS  58           HE3      LYS  58  -1.203 -19.248 -10.050
  468    HZ1  LYS  58           HZ1      LYS  58  -0.726 -21.358 -10.925
  469    HZ2  LYS  58           HZ2      LYS  58   0.671 -20.443 -11.224
  470    HZ3  LYS  58           HZ3      LYS  58  -0.428 -20.751 -12.484
  Start of MODEL   23
    1    H    VAL   1           H        VAL   1   7.476  19.816  -2.847
    2    HA   VAL   1           HA       VAL   1   5.470  20.210  -1.453
    3    HB   VAL   1           HB       VAL   1   6.629  18.023  -1.589
    4   HG11  VAL   1          HG11      VAL   1   8.105  18.733   0.954
    5   HG12  VAL   1          HG12      VAL   1   8.835  18.988  -0.631
    6   HG13  VAL   1          HG13      VAL   1   8.369  17.365  -0.126
    7   HG21  VAL   1          HG21      VAL   1   5.755  18.689   1.245
    8   HG22  VAL   1          HG22      VAL   1   5.765  17.093   0.496
    9   HG23  VAL   1          HG23      VAL   1   4.657  18.333  -0.091
   10    H    ASP   2           H        ASP   2   4.648  21.411   0.143
   11    HA   ASP   2           HA       ASP   2   6.321  23.150   1.700
   12    HB2  ASP   2           HB2      ASP   2   3.337  22.611   1.836
   13    HB3  ASP   2           HB3      ASP   2   4.168  23.888   2.720
   14    H    ASN   3           H        ASN   3   3.747  21.010   2.950
   15    HA   ASN   3           HA       ASN   3   5.292  20.580   5.397
   16    HB2  ASN   3           HB2      ASN   3   2.486  19.697   4.654
   17    HB3  ASN   3           HB3      ASN   3   3.227  19.536   6.245
   18   HD21  ASN   3          HD21      ASN   3   4.332  21.925   6.838
   19   HD22  ASN   3          HD22      ASN   3   3.213  23.196   6.706
   20    H    LYS   4           H        LYS   4   3.461  18.467   3.151
   21    HA   LYS   4           HA       LYS   4   5.585  16.623   2.758
   22    HB2  LYS   4           HB2      LYS   4   4.900  16.190   5.208
   23    HB3  LYS   4           HB3      LYS   4   3.417  15.519   4.547
   24    HG2  LYS   4           HG2      LYS   4   4.473  13.686   3.636
   25    HG3  LYS   4           HG3      LYS   4   5.974  14.557   3.335
   26    HD2  LYS   4           HD2      LYS   4   5.153  14.082   6.187
   27    HD3  LYS   4           HD3      LYS   4   5.810  12.730   5.269
   28    HE2  LYS   4           HE2      LYS   4   7.711  13.718   6.282
   29    HE3  LYS   4           HE3      LYS   4   7.741  14.331   4.630
   30    HZ1  LYS   4           HZ1      LYS   4   8.084  16.037   6.402
   31    HZ2  LYS   4           HZ2      LYS   4   6.478  15.787   6.887
   32    HZ3  LYS   4           HZ3      LYS   4   6.811  16.382   5.330
   33    H    PHE   5           H        PHE   5   5.023  14.922   1.332
   34    HA   PHE   5           HA       PHE   5   2.683  15.472  -0.299
   35    HB2  PHE   5           HB2      PHE   5   3.681  13.577  -1.729
   36    HB3  PHE   5           HB3      PHE   5   4.605  15.069  -1.598
   37    HD1  PHE   5           HD1      PHE   5   6.632  15.188  -0.185
   38    HD2  PHE   5           HD2      PHE   5   4.483  11.500  -0.699
   39    HE1  PHE   5           HE1      PHE   5   8.567  13.933   0.716
   40    HE2  PHE   5           HE2      PHE   5   6.421  10.247   0.206
   41    HZ   PHE   5           HZ       PHE   5   8.462  11.468   0.913
   42    H    ASN   6           H        ASN   6   1.591  14.801   1.931
   43    HA   ASN   6           HA       ASN   6   1.190  12.095   2.585
   44    HB2  ASN   6           HB2      ASN   6  -0.709  14.436   2.907
   45    HB3  ASN   6           HB3      ASN   6  -0.847  12.885   3.735
   46   HD21  ASN   6          HD21      ASN   6   0.140  15.963   4.325
   47   HD22  ASN   6          HD22      ASN   6   1.378  15.669   5.449
   48    H    LYS   7           H        LYS   7  -0.202  14.068   0.055
   49    HA   LYS   7           HA       LYS   7  -2.556  12.700  -0.534
   50    HB2  LYS   7           HB2      LYS   7  -0.638  13.996  -2.495
   51    HB3  LYS   7           HB3      LYS   7  -2.326  13.604  -2.817
   52    HG2  LYS   7           HG2      LYS   7  -1.385  15.501  -0.633
   53    HG3  LYS   7           HG3      LYS   7  -1.983  16.008  -2.211
   54    HD2  LYS   7           HD2      LYS   7  -4.132  14.763  -1.699
   55    HD3  LYS   7           HD3      LYS   7  -3.529  14.526  -0.059
   56    HE2  LYS   7           HE2      LYS   7  -3.358  16.960   0.251
   57    HE3  LYS   7           HE3      LYS   7  -3.924  17.220  -1.400
   58    HZ1  LYS   7           HZ1      LYS   7  -5.702  17.425   0.259
   59    HZ2  LYS   7           HZ2      LYS   7  -5.458  15.810   0.717
   60    HZ3  LYS   7           HZ3      LYS   7  -6.002  16.173  -0.851
   61    H    GLU   8           H        GLU   8   0.774  11.915  -1.481
   62    HA   GLU   8           HA       GLU   8   0.157   9.882  -3.352
   63    HB2  GLU   8           HB2      GLU   8   2.601  10.256  -1.597
   64    HB3  GLU   8           HB3      GLU   8   2.489   9.086  -2.912
   65    HG2  GLU   8           HG2      GLU   8   1.979  10.972  -4.486
   66    HG3  GLU   8           HG3      GLU   8   2.234  12.103  -3.165
   67    H    MET   9           H        MET   9   0.631   9.802   0.169
   68    HA   MET   9           HA       MET   9   0.522   6.976   0.455
   69    HB2  MET   9           HB2      MET   9   0.008   9.255   2.371
   70    HB3  MET   9           HB3      MET   9  -0.176   7.573   2.858
   71    HG2  MET   9           HG2      MET   9   2.046   7.387   3.141
   72    HG3  MET   9           HG3      MET   9   2.323   7.846   1.463
   73    HE1  MET   9           HE1      MET   9   4.507  10.641   2.011
   74    HE2  MET   9           HE2      MET   9   3.390  10.101   0.751
   75    HE3  MET   9           HE3      MET   9   4.346   8.921   1.645
   76    H    ARG  10           H        ARG  10  -1.962   9.502   0.468
   77    HA   ARG  10           HA       ARG  10  -4.150   7.941   1.300
   78    HB2  ARG  10           HB2      ARG  10  -4.138  10.436   1.079
   79    HB3  ARG  10           HB3      ARG  10  -4.206  10.245  -0.672
   80    HG2  ARG  10           HG2      ARG  10  -6.339   8.993  -0.447
   81    HG3  ARG  10           HG3      ARG  10  -6.273   9.210   1.302
   82    HD2  ARG  10           HD2      ARG  10  -6.264  11.688   0.948
   83    HD3  ARG  10           HD3      ARG  10  -6.469  11.413  -0.779
   84    HE   ARG  10           HE       ARG  10  -8.503  11.189   1.259
   85   HH11  ARG  10          HH11      ARG  10  -7.480  10.082  -1.874
   86   HH12  ARG  10          HH12      ARG  10  -9.080   9.669  -2.388
   87   HH21  ARG  10          HH21      ARG  10 -10.578  10.645   0.572
   88   HH22  ARG  10          HH22      ARG  10 -10.825   9.986  -1.009
   89    H    ASN  11           H        ASN  11  -2.827   8.535  -1.951
   90    HA   ASN  11           HA       ASN  11  -4.801   7.120  -3.404
   91    HB2  ASN  11           HB2      ASN  11  -1.886   7.599  -4.088
   92    HB3  ASN  11           HB3      ASN  11  -3.117   7.046  -5.220
   93   HD21  ASN  11          HD21      ASN  11  -1.481   9.719  -4.845
   94   HD22  ASN  11          HD22      ASN  11  -2.680  10.909  -5.010
   95    H    ALA  12           H        ALA  12  -1.573   6.050  -2.262
   96    HA   ALA  12           HA       ALA  12  -1.866   3.372  -3.188
   97    HB1  ALA  12           HB1      ALA  12   0.117   2.881  -1.823
   98    HB2  ALA  12           HB2      ALA  12  -0.047   4.438  -1.008
   99    HB3  ALA  12           HB3      ALA  12   0.340   4.379  -2.727
  100    H    TYR  13           H        TYR  13  -2.652   4.970  -0.143
  101    HA   TYR  13           HA       TYR  13  -3.064   2.772   1.537
  102    HB2  TYR  13           HB2      TYR  13  -3.081   5.129   2.282
  103    HB3  TYR  13           HB3      TYR  13  -4.596   5.395   1.434
  104    HD1  TYR  13           HD1      TYR  13  -6.685   4.218   2.210
  105    HD2  TYR  13           HD2      TYR  13  -3.010   4.060   4.441
  106    HE1  TYR  13           HE1      TYR  13  -7.930   3.456   4.212
  107    HE2  TYR  13           HE2      TYR  13  -4.265   3.302   6.442
  108    HH   TYR  13           HH       TYR  13  -6.992   1.957   6.501
  109    H    TRP  14           H        TRP  14  -5.494   4.501  -0.410
  110    HA   TRP  14           HA       TRP  14  -7.629   2.709   0.088
  111    HB2  TRP  14           HB2      TRP  14  -7.832   5.068  -0.726
  112    HB3  TRP  14           HB3      TRP  14  -7.236   4.529  -2.291
  113    HD1  TRP  14           HD1      TRP  14 -10.150   3.829   0.146
  114    HE1  TRP  14           HE1      TRP  14 -12.200   3.086  -1.230
  115    HE3  TRP  14           HE3      TRP  14  -8.081   3.696  -4.525
  116    HZ2  TRP  14           HZ2      TRP  14 -12.875   2.514  -3.947
  117    HZ3  TRP  14           HZ3      TRP  14  -9.452   3.050  -6.487
  118    HH2  TRP  14           HH2      TRP  14 -11.844   2.459  -6.204
  119    H    GLU  15           H        GLU  15  -5.360   2.984  -2.652
  120    HA   GLU  15           HA       GLU  15  -6.481   1.005  -4.282
  121    HB2  GLU  15           HB2      GLU  15  -4.719   2.641  -4.980
  122    HB3  GLU  15           HB3      GLU  15  -3.533   1.678  -4.096
  123    HG2  GLU  15           HG2      GLU  15  -4.115  -0.300  -5.490
  124    HG3  GLU  15           HG3      GLU  15  -5.278   0.675  -6.378
  125    H    ILE  16           H        ILE  16  -3.836   0.656  -1.866
  126    HA   ILE  16           HA       ILE  16  -3.378  -2.100  -2.241
  127    HB   ILE  16           HB       ILE  16  -3.105  -0.395   0.257
  128   HG12  ILE  16          HG12      ILE  16  -0.932  -1.424  -1.583
  129   HG13  ILE  16          HG13      ILE  16  -1.715   0.126  -1.848
  130   HG21  ILE  16          HG21      ILE  16  -1.460  -2.266   0.919
  131   HG22  ILE  16          HG22      ILE  16  -2.249  -3.246  -0.316
  132   HG23  ILE  16          HG23      ILE  16  -3.176  -2.644   1.058
  133   HD11  ILE  16          HD11      ILE  16   0.327   0.463  -0.544
  134   HD12  ILE  16          HD12      ILE  16  -0.212  -0.719   0.650
  135   HD13  ILE  16          HD13      ILE  16  -1.076   0.809   0.470
  136    H    ALA  17           H        ALA  17  -5.526  -0.462   0.096
  137    HA   ALA  17           HA       ALA  17  -6.560  -2.775   1.310
  138    HB1  ALA  17           HB1      ALA  17  -7.845  -0.059   0.922
  139    HB2  ALA  17           HB2      ALA  17  -6.851  -0.565   2.290
  140    HB3  ALA  17           HB3      ALA  17  -8.431  -1.306   2.024
  141    H    LEU  18           H        LEU  18  -7.271  -1.306  -1.772
  142    HA   LEU  18           HA       LEU  18  -9.846  -2.343  -2.247
  143    HB2  LEU  18           HB2      LEU  18  -8.222  -0.684  -3.619
  144    HB3  LEU  18           HB3      LEU  18  -7.931  -2.156  -4.534
  145    HG   LEU  18           HG       LEU  18  -9.747  -0.895  -5.565
  146   HD11  LEU  18          HD11      LEU  18  -9.847  -3.476  -5.319
  147   HD12  LEU  18          HD12      LEU  18 -11.305  -2.627  -5.823
  148   HD13  LEU  18          HD13      LEU  18 -11.137  -3.167  -4.155
  149   HD21  LEU  18          HD21      LEU  18 -11.479  -1.246  -3.129
  150   HD22  LEU  18          HD22      LEU  18 -11.628  -0.088  -4.448
  151   HD23  LEU  18          HD23      LEU  18 -10.382   0.130  -3.222
  152    H    LEU  19           H        LEU  19  -6.621  -3.814  -2.705
  153    HA   LEU  19           HA       LEU  19  -7.550  -6.117  -4.103
  154    HB2  LEU  19           HB2      LEU  19  -5.064  -5.693  -2.438
  155    HB3  LEU  19           HB3      LEU  19  -5.363  -7.141  -3.381
  156    HG   LEU  19           HG       LEU  19  -4.010  -5.846  -4.804
  157   HD11  LEU  19          HD11      LEU  19  -6.642  -4.760  -5.759
  158   HD12  LEU  19          HD12      LEU  19  -6.324  -6.494  -5.814
  159   HD13  LEU  19          HD13      LEU  19  -5.285  -5.379  -6.697
  160   HD21  LEU  19          HD21      LEU  19  -5.626  -3.352  -4.402
  161   HD22  LEU  19          HD22      LEU  19  -3.977  -3.521  -4.999
  162   HD23  LEU  19          HD23      LEU  19  -4.325  -3.776  -3.291
  163    HA   PRO  20           HA       PRO  20  -9.369  -8.038  -0.440
  164    HB2  PRO  20           HB2      PRO  20 -10.914  -9.816  -1.669
  165    HB3  PRO  20           HB3      PRO  20 -11.203  -8.076  -1.893
  166    HG2  PRO  20           HG2      PRO  20  -9.790  -9.997  -3.699
  167    HG3  PRO  20           HG3      PRO  20 -10.994  -8.761  -4.100
  168    HD2  PRO  20           HD2      PRO  20  -8.248  -8.399  -4.336
  169    HD3  PRO  20           HD3      PRO  20  -9.434  -7.084  -4.178
  170    H    ASN  21           H        ASN  21  -7.073  -9.585  -2.526
  171    HA   ASN  21           HA       ASN  21  -7.276 -12.144  -1.093
  172    HB2  ASN  21           HB2      ASN  21  -5.717 -12.974  -2.832
  173    HB3  ASN  21           HB3      ASN  21  -7.205 -12.309  -3.497
  174   HD21  ASN  21          HD21      ASN  21  -5.615 -12.216  -5.466
  175   HD22  ASN  21          HD22      ASN  21  -4.741 -10.769  -5.642
  176    H    LEU  22           H        LEU  22  -5.612  -9.286  -0.628
  177    HA   LEU  22           HA       LEU  22  -3.043 -10.413   0.050
  178    HB2  LEU  22           HB2      LEU  22  -4.220  -7.750   0.884
  179    HB3  LEU  22           HB3      LEU  22  -2.540  -8.252   1.088
  180    HG   LEU  22           HG       LEU  22  -3.821  -8.213  -1.642
  181   HD11  LEU  22          HD11      LEU  22  -2.313  -5.942  -0.292
  182   HD12  LEU  22          HD12      LEU  22  -4.051  -5.949  -0.586
  183   HD13  LEU  22          HD13      LEU  22  -2.926  -5.947  -1.945
  184   HD21  LEU  22          HD21      LEU  22  -0.963  -7.966  -0.627
  185   HD22  LEU  22          HD22      LEU  22  -1.452  -7.941  -2.322
  186   HD23  LEU  22          HD23      LEU  22  -1.674  -9.401  -1.369
  187    H    ASN  23           H        ASN  23  -2.438 -11.326   1.891
  188    HA   ASN  23           HA       ASN  23  -4.221 -12.211   3.848
  189    HB2  ASN  23           HB2      ASN  23  -1.898 -13.083   3.528
  190    HB3  ASN  23           HB3      ASN  23  -1.284 -11.624   4.302
  191   HD21  ASN  23          HD21      ASN  23  -3.310 -14.516   4.902
  192   HD22  ASN  23          HD22      ASN  23  -3.128 -14.482   6.592
  193    H    ASN  24           H        ASN  24  -4.825 -11.493   5.898
  194    HA   ASN  24           HA       ASN  24  -5.411  -8.823   6.286
  195    HB2  ASN  24           HB2      ASN  24  -4.976 -10.964   8.385
  196    HB3  ASN  24           HB3      ASN  24  -5.766  -9.416   8.680
  197   HD21  ASN  24          HD21      ASN  24  -7.971  -9.210   8.057
  198   HD22  ASN  24          HD22      ASN  24  -8.843 -10.451   7.290
  199    H    GLN  25           H        GLN  25  -2.547 -10.590   7.438
  200    HA   GLN  25           HA       GLN  25  -1.466  -8.448   8.976
  201    HB2  GLN  25           HB2      GLN  25  -0.133 -10.863   7.718
  202    HB3  GLN  25           HB3      GLN  25   0.662  -9.762   8.843
  203    HG2  GLN  25           HG2      GLN  25  -1.021 -10.278  10.565
  204    HG3  GLN  25           HG3      GLN  25  -1.853 -11.356   9.447
  205   HE21  GLN  25          HE21      GLN  25  -0.582 -12.078  12.050
  206   HE22  GLN  25          HE22      GLN  25   0.593 -13.246  11.682
  207    H    GLN  26           H        GLN  26  -0.962  -9.529   5.630
  208    HA   GLN  26           HA       GLN  26   1.140  -7.769   4.986
  209    HB2  GLN  26           HB2      GLN  26  -0.955  -9.056   3.228
  210    HB3  GLN  26           HB3      GLN  26   0.448  -8.178   2.613
  211    HG2  GLN  26           HG2      GLN  26   1.962  -9.728   3.778
  212    HG3  GLN  26           HG3      GLN  26   0.588 -10.591   4.459
  213   HE21  GLN  26          HE21      GLN  26  -1.103 -11.064   2.397
  214   HE22  GLN  26          HE22      GLN  26  -0.334 -11.886   1.124
  215    H    LYS  27           H        LYS  27  -2.406  -7.343   4.692
  216    HA   LYS  27           HA       LYS  27  -2.408  -4.918   3.282
  217    HB2  LYS  27           HB2      LYS  27  -4.305  -6.041   5.351
  218    HB3  LYS  27           HB3      LYS  27  -4.583  -4.470   4.600
  219    HG2  LYS  27           HG2      LYS  27  -4.370  -5.661   2.346
  220    HG3  LYS  27           HG3      LYS  27  -4.446  -7.176   3.247
  221    HD2  LYS  27           HD2      LYS  27  -6.546  -5.411   4.168
  222    HD3  LYS  27           HD3      LYS  27  -6.626  -5.538   2.413
  223    HE2  LYS  27           HE2      LYS  27  -6.287  -8.034   4.057
  224    HE3  LYS  27           HE3      LYS  27  -7.882  -7.299   3.912
  225    HZ1  LYS  27           HZ1      LYS  27  -6.919  -7.286   1.361
  226    HZ2  LYS  27           HZ2      LYS  27  -8.036  -8.394   1.998
  227    HZ3  LYS  27           HZ3      LYS  27  -6.379  -8.779   1.975
  228    H    ARG  28           H        ARG  28  -2.814  -5.256   6.798
  229    HA   ARG  28           HA       ARG  28  -2.436  -2.561   7.465
  230    HB2  ARG  28           HB2      ARG  28  -1.907  -5.054   9.111
  231    HB3  ARG  28           HB3      ARG  28  -1.956  -3.416   9.765
  232    HG2  ARG  28           HG2      ARG  28  -4.297  -3.182   8.909
  233    HG3  ARG  28           HG3      ARG  28  -4.240  -4.862   8.375
  234    HD2  ARG  28           HD2      ARG  28  -3.722  -5.523  10.753
  235    HD3  ARG  28           HD3      ARG  28  -3.998  -3.847  11.224
  236    HE   ARG  28           HE       ARG  28  -6.245  -4.727   9.775
  237   HH11  ARG  28          HH11      ARG  28  -4.615  -5.354  12.782
  238   HH12  ARG  28          HH12      ARG  28  -6.056  -5.841  13.607
  239   HH21  ARG  28          HH21      ARG  28  -8.113  -5.366  10.868
  240   HH22  ARG  28          HH22      ARG  28  -8.027  -5.847  12.528
  241    H    ALA  29           H        ALA  29  -0.085  -5.138   6.918
  242    HA   ALA  29           HA       ALA  29   2.160  -3.928   8.112
  243    HB1  ALA  29           HB1      ALA  29   1.979  -5.875   5.804
  244    HB2  ALA  29           HB2      ALA  29   2.241  -6.257   7.504
  245    HB3  ALA  29           HB3      ALA  29   3.487  -5.412   6.588
  246    H    PHE  30           H        PHE  30   1.414  -4.048   4.575
  247    HA   PHE  30           HA       PHE  30   3.378  -2.134   3.887
  248    HB2  PHE  30           HB2      PHE  30   0.911  -3.119   2.461
  249    HB3  PHE  30           HB3      PHE  30   1.950  -1.879   1.760
  250    HD1  PHE  30           HD1      PHE  30   4.351  -2.356   1.296
  251    HD2  PHE  30           HD2      PHE  30   1.653  -5.439   2.580
  252    HE1  PHE  30           HE1      PHE  30   5.975  -4.080   0.573
  253    HE2  PHE  30           HE2      PHE  30   3.277  -7.157   1.871
  254    HZ   PHE  30           HZ       PHE  30   5.440  -6.483   0.856
  255    H    ILE  31           H        ILE  31  -0.059  -1.764   4.693
  256    HA   ILE  31           HA       ILE  31  -0.346   0.966   4.061
  257    HB   ILE  31           HB       ILE  31  -1.722  -0.793   6.104
  258   HG12  ILE  31          HG12      ILE  31  -1.924  -1.114   3.520
  259   HG13  ILE  31          HG13      ILE  31  -3.393  -1.097   4.480
  260   HG21  ILE  31          HG21      ILE  31  -2.206   2.109   5.432
  261   HG22  ILE  31          HG22      ILE  31  -2.079   1.352   7.019
  262   HG23  ILE  31          HG23      ILE  31  -3.506   1.073   6.024
  263   HD11  ILE  31          HD11      ILE  31  -2.331   1.426   3.199
  264   HD12  ILE  31          HD12      ILE  31  -3.962   1.094   3.781
  265   HD13  ILE  31          HD13      ILE  31  -3.373   0.312   2.319
  266    H    ARG  32           H        ARG  32   0.858  -0.638   6.984
  267    HA   ARG  32           HA       ARG  32   1.223   1.793   8.491
  268    HB2  ARG  32           HB2      ARG  32   0.869  -0.427   9.563
  269    HB3  ARG  32           HB3      ARG  32   2.422  -0.962   8.929
  270    HG2  ARG  32           HG2      ARG  32   2.857  -0.282  11.172
  271    HG3  ARG  32           HG3      ARG  32   3.454   1.039  10.175
  272    HD2  ARG  32           HD2      ARG  32   1.356   2.286  10.562
  273    HD3  ARG  32           HD3      ARG  32   0.741   0.953  11.537
  274    HE   ARG  32           HE       ARG  32   3.238   1.798  12.575
  275   HH11  ARG  32          HH11      ARG  32  -0.058   2.862  12.264
  276   HH12  ARG  32          HH12      ARG  32  -0.012   3.831  13.697
  277   HH21  ARG  32          HH21      ARG  32   3.278   3.066  14.439
  278   HH22  ARG  32          HH22      ARG  32   1.869   3.947  14.922
  279    H    SER  33           H        SER  33   3.272  -0.314   6.512
  280    HA   SER  33           HA       SER  33   5.796   0.718   7.081
  281    HB2  SER  33           HB2      SER  33   4.778  -0.311   4.424
  282    HB3  SER  33           HB3      SER  33   6.471  -0.124   4.867
  283    HG   SER  33           HG       SER  33   4.565  -1.720   6.253
  284    H    LEU  34           H        LEU  34   3.300   1.974   4.912
  285    HA   LEU  34           HA       LEU  34   4.775   3.866   3.472
  286    HB2  LEU  34           HB2      LEU  34   1.921   3.636   4.333
  287    HB3  LEU  34           HB3      LEU  34   2.459   5.183   3.691
  288    HG   LEU  34           HG       LEU  34   3.238   2.732   2.162
  289   HD11  LEU  34          HD11      LEU  34   0.423   3.853   2.274
  290   HD12  LEU  34          HD12      LEU  34   0.931   2.185   2.548
  291   HD13  LEU  34          HD13      LEU  34   1.023   2.879   0.931
  292   HD21  LEU  34          HD21      LEU  34   2.203   5.461   1.304
  293   HD22  LEU  34          HD22      LEU  34   2.982   4.257   0.277
  294   HD23  LEU  34          HD23      LEU  34   3.908   5.077   1.534
  295    H    TYR  35           H        TYR  35   3.263   4.153   6.675
  296    HA   TYR  35           HA       TYR  35   4.010   6.877   7.111
  297    HB2  TYR  35           HB2      TYR  35   2.174   5.708   8.341
  298    HB3  TYR  35           HB3      TYR  35   3.386   4.731   9.166
  299    HD1  TYR  35           HD1      TYR  35   2.082   8.181   8.713
  300    HD2  TYR  35           HD2      TYR  35   4.747   5.650  10.949
  301    HE1  TYR  35           HE1      TYR  35   2.411   9.990  10.376
  302    HE2  TYR  35           HE2      TYR  35   5.073   7.464  12.608
  303    HH   TYR  35           HH       TYR  35   3.349   9.690  13.257
  304    H    ASP  36           H        ASP  36   5.454   3.744   7.936
  305    HA   ASP  36           HA       ASP  36   7.542   4.644   9.582
  306    HB2  ASP  36           HB2      ASP  36   6.821   2.269   9.304
  307    HB3  ASP  36           HB3      ASP  36   7.608   2.253   7.728
  308    H    ASP  37           H        ASP  37   7.460   4.236   6.031
  309    HA   ASP  37           HA       ASP  37   9.762   6.040   5.816
  310    HB2  ASP  37           HB2      ASP  37  10.134   3.267   5.700
  311    HB3  ASP  37           HB3      ASP  37  10.138   3.770   4.015
  312    HA   PRO  38           HA       PRO  38   6.390   7.085   2.793
  313    HB2  PRO  38           HB2      PRO  38   7.914   9.648   2.938
  314    HB3  PRO  38           HB3      PRO  38   6.166   9.367   3.030
  315    HG2  PRO  38           HG2      PRO  38   7.586   9.979   5.193
  316    HG3  PRO  38           HG3      PRO  38   6.232   8.837   5.265
  317    HD2  PRO  38           HD2      PRO  38   9.170   8.279   5.325
  318    HD3  PRO  38           HD3      PRO  38   7.841   7.433   6.149
  319    H    SER  39           H        SER  39   9.868   7.354   2.681
  320    HA   SER  39           HA       SER  39  10.225   8.208   0.023
  321    HB2  SER  39           HB2      SER  39  12.486   7.394   0.228
  322    HB3  SER  39           HB3      SER  39  12.016   8.112   1.765
  323    HG   SER  39           HG       SER  39  12.057   6.187   2.679
  324    H    GLN  40           H        GLN  40   9.399   5.050   1.327
  325    HA   GLN  40           HA       GLN  40   9.924   3.732  -1.248
  326    HB2  GLN  40           HB2      GLN  40   9.013   2.590   1.405
  327    HB3  GLN  40           HB3      GLN  40   9.419   1.650  -0.029
  328    HG2  GLN  40           HG2      GLN  40  11.718   2.674   0.033
  329    HG3  GLN  40           HG3      GLN  40  11.280   3.431   1.559
  330   HE21  GLN  40          HE21      GLN  40   9.663   0.545   1.713
  331   HE22  GLN  40          HE22      GLN  40  10.859  -0.410   2.447
  332    H    SER  41           H        SER  41   7.438   5.571  -0.250
  333    HA   SER  41           HA       SER  41   5.083   4.187  -0.291
  334    HB2  SER  41           HB2      SER  41   5.663   6.796  -1.707
  335    HB3  SER  41           HB3      SER  41   4.047   6.169  -1.398
  336    HG   SER  41           HG       SER  41   5.978   7.155   0.375
  337    H    ALA  42           H        ALA  42   7.022   5.015  -3.141
  338    HA   ALA  42           HA       ALA  42   5.180   4.027  -5.077
  339    HB1  ALA  42           HB1      ALA  42   8.188   4.370  -5.247
  340    HB2  ALA  42           HB2      ALA  42   6.985   5.592  -5.654
  341    HB3  ALA  42           HB3      ALA  42   7.105   4.120  -6.617
  342    H    ASN  43           H        ASN  43   8.030   2.614  -3.488
  343    HA   ASN  43           HA       ASN  43   7.967   0.125  -4.865
  344    HB2  ASN  43           HB2      ASN  43   9.151   0.805  -2.162
  345    HB3  ASN  43           HB3      ASN  43   9.477  -0.663  -3.075
  346   HD21  ASN  43          HD21      ASN  43  11.622   0.967  -2.403
  347   HD22  ASN  43          HD22      ASN  43  12.215   1.757  -3.786
  348    H    LEU  44           H        LEU  44   6.795   1.071  -1.625
  349    HA   LEU  44           HA       LEU  44   5.870  -1.426  -0.775
  350    HB2  LEU  44           HB2      LEU  44   4.717   1.282  -0.184
  351    HB3  LEU  44           HB3      LEU  44   4.409  -0.161   0.752
  352    HG   LEU  44           HG       LEU  44   7.160   1.097   0.365
  353   HD11  LEU  44          HD11      LEU  44   5.826   2.557   1.745
  354   HD12  LEU  44          HD12      LEU  44   6.906   1.658   2.809
  355   HD13  LEU  44          HD13      LEU  44   5.209   1.196   2.682
  356   HD21  LEU  44          HD21      LEU  44   6.178  -1.223   2.058
  357   HD22  LEU  44          HD22      LEU  44   7.749  -0.449   2.271
  358   HD23  LEU  44          HD23      LEU  44   7.375  -1.279   0.762
  359    H    LEU  45           H        LEU  45   4.128   1.131  -2.561
  360    HA   LEU  45           HA       LEU  45   1.605  -0.131  -2.670
  361    HB2  LEU  45           HB2      LEU  45   1.817   2.201  -3.241
  362    HB3  LEU  45           HB3      LEU  45   2.961   1.838  -4.524
  363    HG   LEU  45           HG       LEU  45   1.187   0.648  -5.784
  364   HD11  LEU  45          HD11      LEU  45  -1.194   0.921  -4.954
  365   HD12  LEU  45          HD12      LEU  45  -0.525   1.428  -3.405
  366   HD13  LEU  45          HD13      LEU  45  -0.212  -0.196  -4.013
  367   HD21  LEU  45          HD21      LEU  45   1.532   3.119  -6.065
  368   HD22  LEU  45          HD22      LEU  45   0.245   3.393  -4.889
  369   HD23  LEU  45          HD23      LEU  45  -0.114   2.600  -6.422
  370    H    ALA  46           H        ALA  46   4.300  -0.127  -4.973
  371    HA   ALA  46           HA       ALA  46   3.180  -1.882  -6.894
  372    HB1  ALA  46           HB1      ALA  46   5.183  -0.485  -7.315
  373    HB2  ALA  46           HB2      ALA  46   5.488  -2.183  -7.679
  374    HB3  ALA  46           HB3      ALA  46   6.103  -1.478  -6.183
  375    H    GLU  47           H        GLU  47   5.123  -2.429  -4.004
  376    HA   GLU  47           HA       GLU  47   5.514  -5.221  -4.272
  377    HB2  GLU  47           HB2      GLU  47   5.584  -3.276  -1.957
  378    HB3  GLU  47           HB3      GLU  47   5.791  -5.016  -1.698
  379    HG2  GLU  47           HG2      GLU  47   7.462  -3.393  -3.647
  380    HG3  GLU  47           HG3      GLU  47   7.964  -3.760  -2.000
  381    H    ALA  48           H        ALA  48   2.956  -3.287  -2.764
  382    HA   ALA  48           HA       ALA  48   1.572  -5.433  -1.523
  383    HB1  ALA  48           HB1      ALA  48   0.490  -2.795  -2.552
  384    HB2  ALA  48           HB2      ALA  48   1.173  -3.065  -0.950
  385    HB3  ALA  48           HB3      ALA  48  -0.323  -3.873  -1.418
  386    H    LYS  49           H        LYS  49   1.197  -3.814  -4.670
  387    HA   LYS  49           HA       LYS  49  -0.973  -5.375  -5.589
  388    HB2  LYS  49           HB2      LYS  49  -0.015  -3.157  -6.519
  389    HB3  LYS  49           HB3      LYS  49   1.113  -4.183  -7.408
  390    HG2  LYS  49           HG2      LYS  49  -0.711  -5.353  -8.497
  391    HG3  LYS  49           HG3      LYS  49  -1.900  -4.527  -7.496
  392    HD2  LYS  49           HD2      LYS  49  -0.389  -2.453  -8.655
  393    HD3  LYS  49           HD3      LYS  49  -0.608  -3.629  -9.946
  394    HE2  LYS  49           HE2      LYS  49  -2.981  -3.511  -9.807
  395    HE3  LYS  49           HE3      LYS  49  -2.925  -2.715  -8.232
  396    HZ1  LYS  49           HZ1      LYS  49  -2.531  -0.717  -9.146
  397    HZ2  LYS  49           HZ2      LYS  49  -3.243  -1.409 -10.525
  398    HZ3  LYS  49           HZ3      LYS  49  -1.551  -1.343 -10.389
  399    H    LYS  50           H        LYS  50   2.511  -5.869  -5.573
  400    HA   LYS  50           HA       LYS  50   2.720  -7.983  -7.425
  401    HB2  LYS  50           HB2      LYS  50   4.612  -6.686  -6.371
  402    HB3  LYS  50           HB3      LYS  50   4.350  -7.610  -4.897
  403    HG2  LYS  50           HG2      LYS  50   4.839  -9.699  -6.053
  404    HG3  LYS  50           HG3      LYS  50   4.942  -8.858  -7.600
  405    HD2  LYS  50           HD2      LYS  50   7.201  -9.119  -6.912
  406    HD3  LYS  50           HD3      LYS  50   6.803  -7.445  -6.528
  407    HE2  LYS  50           HE2      LYS  50   6.348  -8.092  -4.181
  408    HE3  LYS  50           HE3      LYS  50   6.756  -9.765  -4.566
  409    HZ1  LYS  50           HZ1      LYS  50   8.951  -8.785  -5.389
  410    HZ2  LYS  50           HZ2      LYS  50   8.712  -8.889  -3.711
  411    HZ3  LYS  50           HZ3      LYS  50   8.520  -7.396  -4.505
  412    H    LEU  51           H        LEU  51   2.103  -7.949  -3.928
  413    HA   LEU  51           HA       LEU  51   1.965 -10.760  -3.548
  414    HB2  LEU  51           HB2      LEU  51   0.875  -8.391  -2.029
  415    HB3  LEU  51           HB3      LEU  51   0.558 -10.038  -1.484
  416    HG   LEU  51           HG       LEU  51   3.357  -9.016  -2.079
  417   HD11  LEU  51          HD11      LEU  51   2.487  -7.599  -0.328
  418   HD12  LEU  51          HD12      LEU  51   3.573  -8.776   0.411
  419   HD13  LEU  51          HD13      LEU  51   1.826  -8.987   0.536
  420   HD21  LEU  51          HD21      LEU  51   3.783 -10.928  -0.322
  421   HD22  LEU  51          HD22      LEU  51   3.438 -11.361  -1.994
  422   HD23  LEU  51          HD23      LEU  51   2.166 -11.465  -0.778
  423    H    ASN  52           H        ASN  52  -0.439  -8.318  -4.418
  424    HA   ASN  52           HA       ASN  52  -2.744  -9.967  -4.301
  425    HB2  ASN  52           HB2      ASN  52  -3.048  -7.612  -4.388
  426    HB3  ASN  52           HB3      ASN  52  -2.079  -7.455  -5.844
  427   HD21  ASN  52          HD21      ASN  52  -5.190  -8.820  -4.667
  428   HD22  ASN  52          HD22      ASN  52  -5.968  -8.726  -6.176
  429    H    ASP  53           H        ASP  53  -0.596  -9.075  -6.998
  430    HA   ASP  53           HA       ASP  53  -1.900 -10.583  -8.998
  431    HB2  ASP  53           HB2      ASP  53  -0.243  -8.786  -9.411
  432    HB3  ASP  53           HB3      ASP  53   1.031  -9.834  -8.829
  433    H    ALA  54           H        ALA  54   0.683 -11.423  -6.724
  434    HA   ALA  54           HA       ALA  54   1.227 -13.955  -7.921
  435    HB1  ALA  54           HB1      ALA  54   1.924 -12.890  -5.175
  436    HB2  ALA  54           HB2      ALA  54   2.928 -12.796  -6.622
  437    HB3  ALA  54           HB3      ALA  54   2.584 -14.362  -5.889
  438    H    GLN  55           H        GLN  55  -0.461 -13.054  -4.887
  439    HA   GLN  55           HA       GLN  55  -1.206 -15.708  -4.203
  440    HB2  GLN  55           HB2      GLN  55  -2.381 -13.049  -3.326
  441    HB3  GLN  55           HB3      GLN  55  -2.809 -14.610  -2.629
  442    HG2  GLN  55           HG2      GLN  55  -0.578 -14.973  -1.829
  443    HG3  GLN  55           HG3      GLN  55   0.051 -13.617  -2.765
  444   HE21  GLN  55          HE21      GLN  55  -1.552 -11.526  -2.234
  445   HE22  GLN  55          HE22      GLN  55  -1.670 -11.210  -0.572
  446    H    ALA  56           H        ALA  56  -2.661 -13.344  -6.323
  447    HA   ALA  56           HA       ALA  56  -5.306 -14.217  -6.399
  448    HB1  ALA  56           HB1      ALA  56  -3.531 -12.973  -8.493
  449    HB2  ALA  56           HB2      ALA  56  -4.815 -12.216  -7.548
  450    HB3  ALA  56           HB3      ALA  56  -5.219 -13.365  -8.823
  451    HA   PRO  57           HA       PRO  57  -5.027 -18.231  -8.306
  452    HB2  PRO  57           HB2      PRO  57  -7.587 -18.531  -9.179
  453    HB3  PRO  57           HB3      PRO  57  -7.150 -18.582  -7.460
  454    HG2  PRO  57           HG2      PRO  57  -8.344 -16.357  -9.042
  455    HG3  PRO  57           HG3      PRO  57  -8.707 -16.891  -7.392
  456    HD2  PRO  57           HD2      PRO  57  -7.114 -14.722  -7.973
  457    HD3  PRO  57           HD3      PRO  57  -6.982 -15.671  -6.476
  458    H    LYS  58           H        LYS  58  -4.932 -19.277 -10.334
  459    HA   LYS  58           HA       LYS  58  -4.442 -17.546 -12.598
  460    HB2  LYS  58           HB2      LYS  58  -4.428 -20.578 -12.453
  461    HB3  LYS  58           HB3      LYS  58  -3.747 -19.594 -13.746
  462    HG2  LYS  58           HG2      LYS  58  -2.832 -19.491 -10.847
  463    HG3  LYS  58           HG3      LYS  58  -2.026 -20.409 -12.116
  464    HD2  LYS  58           HD2      LYS  58  -1.712 -18.281 -13.403
  465    HD3  LYS  58           HD3      LYS  58  -2.411 -17.395 -12.050
  466    HE2  LYS  58           HE2      LYS  58   0.024 -17.317 -11.892
  467    HE3  LYS  58           HE3      LYS  58  -0.617 -18.291 -10.569
  468    HZ1  LYS  58           HZ1      LYS  58   0.011 -20.264 -11.632
  469    HZ2  LYS  58           HZ2      LYS  58   1.340 -19.232 -11.848
  470    HZ3  LYS  58           HZ3      LYS  58   0.256 -19.498 -13.129