*HEADER    PROTEIN BINDING                         17-SEP-03   1QZP              
*TITLE     NMR STRUCTURE OF THE HUMAN DEMATIN HEADPIECE DOMAIN                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DEMATIN;                                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: C-TERMINAL DOMAIN;                                         
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PD48                                      
*KEYWDS    DEMATIN HEADPIECE, VILLIN HEADPIECE, ACTIN BINDING DOMAIN             
*EXPDTA    NMR, 13 STRUCTURES                                                    
*AUTHOR    B.S.FRANK, D.VARDAR, A.H.CHISHTI, C.J.MCKNIGHT                        
*REVDAT   1   23-DEC-03 1QZP    0                                                

!distance constraints for Dematin Headpiece.  B.S. Frank et. al.
assign (resid 9 and name HA) (resid 9 and name HB#) 5.1 3.3 0.0 ! -7.11e-01 
assign (resid 11 and name HB#) (resid 11 and name HD11) 5.1 3.3 0.0 ! 2.48e+00 
assign (resid 11 and name HB#) (resid 11 and name HD21) 5.1 3.3 0.0 ! 1.82e+00 
assign (resid 12 and name HE2#) (resid 13 and name HD11) 5.1 3.3 0.0 ! 8.86e-01 
assign (resid 12 and name HE2#) (resid 13 and name HG21) 5.1 3.3 0.0 ! 7.10e-01 
assign (resid 14 and name HE#) (resid 12 and name HB#) 3.5 1.7 0.0 ! 2.75e+00 
assign (resid 12 and name HN) (resid 14 and name HE#) 5.1 3.3 0.0 ! 1.07e+00 
assign (resid 14 and name HD#) (resid 13 and name HG21) 5.1 3.3 0.0 ! 1.17e+00 
assign (resid 14 and name HD#) (resid 14 and name HA) 3.5 1.7 0.0 ! 3.75e+00 
assign (resid 14 and name HD#) (resid 14 and name HB#) 3 1.2 0.0 ! 4.16e+00 
assign (resid 14 and name HD#) (resid 14 and name HE#) 3 1.2 0.0 ! 1.66e+01 
assign (resid 14 and name HD#) (resid 15 and name HD#) 3.5 1.7 0.0 ! 2.79e+00 
assign (resid 16 and name HN) (resid 15 and name HB#) 5.1 3.3 0.0 ! 1.14e+00 
assign (resid 16 and name HD#) (resid 16 and name HA) 3.5 1.7 0.0 ! 5.06e+00 
assign (resid 16 and name HD#) (resid 16 and name HB#) 3 1.2 0.0 ! 3.92e+00 
assign (resid 16 and name HD#) (resid 16 and name HE#) 3 1.2 0.0 ! 1.50e+01 
assign (resid 17 and name HA) (resid 17 and name HB#) 3 1.2 0.0 ! 5.92e+00 
assign (resid 17 and name HA) (resid 17 and name HG#) 3.5 1.7 0.0 ! 2.45e+00 
assign (resid 17 and name HN) (resid 17 and name HB#) 3 1.2 0.0 ! 5.74e+00 
assign (resid 18 and name HN) (resid 15 and name HD#) 5.1 3.3 0.0 ! 1.33e+00 
assign (resid 18 and name HN) (resid 17 and name HB#) 5.1 3.3 0.0 ! 1.78e+00 
assign (resid 14 and name HD#) (resid 19 and name HD11) 5.1 3.3 0.0 ! 1.41e+00 
assign (resid 14 and name HD#) (resid 19 and name HD21) 5.1 3.3 0.0 ! 2.84e+00 
assign (resid 16 and name HD#) (resid 20 and name HG11) 5.1 3.3 0.0 ! 1.31e+00 
assign (resid 16 and name HE#) (resid 20 and name HG11) 5.1 3.3 0.0 ! 2.88e+00 
assign (resid 16 and name HD#) (resid 20 and name HG21) 5.1 3.3 0.0 ! 2.00e+00 
assign (resid 16 and name HE#) (resid 20 and name HG21) 5.1 3.3 0.0 ! 3.34e+00 
assign (resid 24 and name HN) (resid 23 and name HB#) 5.1 3.3 0.0 ! 6.96e-01 
assign (resid 28 and name HA) (resid 28 and name HB#) 3.5 1.7 0.0 ! 3.41e+00 
assign (resid 14 and name HD#) (resid 30 and name HB#) 5.1 3.3 0.0 ! 1.20e+00 
assign (resid 30 and name HD#) (resid 29 and name HD11) 5.1 3.3 0.0 ! 1.96e+00 
assign (resid 29 and name HA) (resid 30 and name HD#) 3 1.2 0.0 ! 5.56e+00 
assign (resid 30 and name HD#) (resid 30 and name HB#) 5.1 3.3 0.0 ! 2.12e+00 
assign (resid 30 and name HD#) (resid 30 and name HG#) 5.1 3.3 0.0 ! 7.39e-01 
assign (resid 30 and name HA) (resid 31 and name HD#) 3 1.2 0.0 ! 7.61e+00 
assign (resid 31 and name HA) (resid 31 and name HB#) 3 1.2 0.0 ! 7.02e+00 
assign (resid 32 and name HN) (resid 32 and name HA#) 3.5 1.7 0.0 ! 2.71e+00 
assign (resid 14 and name HD#) (resid 33 and name HG11) 5.1 3.3 0.0 ! 3.78e+00 
assign (resid 14 and name HE#) (resid 33 and name HG11) 5.1 3.3 0.0 ! 2.31e+00 
assign (resid 14 and name HD#) (resid 33 and name HG21) 5.1 3.3 0.0 ! 6.49e+00 
assign (resid 14 and name HE#) (resid 33 and name HG21) 5.1 3.3 0.0 ! 3.15e+00 
assign (resid 30 and name HB#) (resid 33 and name HG21) 5.1 3.3 0.0 ! 2.66e+00 
assign (resid 30 and name HD#) (resid 33 and name HG21) 5.1 3.3 0.0 ! 1.39e+00 
assign (resid 35 and name HA) (resid 35 and name HB#) 5.1 3.3 0.0 ! 2.24e+00 
assign (resid 36 and name HG#) (resid 36 and name HB#) 3 1.2 0.0 ! 4.21e+00 
assign (resid 36 and name HN) (resid 36 and name HB#) 3.5 1.7 0.0 ! 3.86e+00 
assign (resid 36 and name HN) (resid 36 and name HG#) 5.1 3.3 0.0 ! 1.55e+00 
assign (resid 37 and name HD#) (resid 37 and name HG#) 3.5 1.7 0.0 ! 3.74e+00 
assign (resid 37 and name HN) (resid 37 and name HB#) 3.5 1.7 0.0 ! 3.17e+00 
assign (resid 41 and name HE1) (resid 12 and name HB#) 5.1 3.3 0.0 ! 1.04e+00 
assign (resid 14 and name HD#) (resid 41 and name HB#) 5.1 3.3 0.0 ! 1.04e+00 
assign (resid 41 and name HE1) (resid 14 and name HD#) 5.1 3.3 0.0 ! 7.33e-01 
assign (resid 41 and name HE1) (resid 14 and name HE#) 5.1 3.3 0.0 ! 1.20e+00 
assign (resid 41 and name HD2) (resid 40 and name HB#) 5.1 3.3 0.0 ! 9.34e-01 
assign (resid 16 and name HD#) (resid 42 and name HD11) 5.1 3.3 0.0 ! 4.49e+00 
assign (resid 16 and name HD#) (resid 42 and name HD21) 5.1 3.3 0.0 ! 6.11e+00 
assign (resid 44 and name HN) (resid 45 and name HB#) 5.1 3.3 0.0 ! 9.20e-01 
assign (resid 45 and name HA) (resid 45 and name HB#) 3 1.2 0.0 ! 4.60e+00 
assign (resid 45 and name HN) (resid 45 and name HB#) 3 1.2 0.0 ! 4.76e+00 
assign (resid 46 and name HB#) (resid 42 and name HD21) 5.1 3.3 0.0 ! 1.03e+00 
assign (resid 46 and name HN) (resid 46 and name HB#) 3.5 1.7 0.0 ! 2.36e+00 
assign (resid 47 and name HE#) (resid 39 and name HB#) 5.1 3.3 0.0 ! 2.22e+00 
assign (resid 47 and name HE#) (resid 39 and name HG#) 5.1 3.3 0.0 ! 1.48e+00 
assign (resid 47 and name HD#) (resid 42 and name HD11) 5.1 3.3 0.0 ! 3.63e+00 
assign (resid 47 and name HD#) (resid 42 and name HB1) 5.1 3.3 0.0 ! 1.53e+00 
assign (resid 47 and name HD#) (resid 42 and name HB2) 5.1 3.3 0.0 ! 2.08e+00 
assign (resid 47 and name HD#) (resid 42 and name HG) 5.1 3.3 0.0 ! 1.34e+00 
assign (resid 47 and name HA) (resid 47 and name HB#) 5.1 3.3 0.0 ! 1.80e+00 
assign (resid 47 and name HD#) (resid 47 and name HB#) 3 1.2 0.0 ! 5.28e+00 
assign (resid 47 and name HD#) (resid 47 and name HA) 3.5 1.7 0.0 ! 3.01e+00 
assign (resid 47 and name HD#) (resid 47 and name HE#) 3 1.2 0.0 ! 1.29e+01 
assign (resid 47 and name HN) (resid 47 and name HB#) 3 1.2 0.0 ! 4.75e+00 
assign (resid 47 and name HN) (resid 47 and name HD#) 5.1 3.3 0.0 ! 1.97e+00 
assign (resid 47 and name HD#) (resid 47 and name HZ) 5.1 3.3 0.0 ! 1.36e+00 
assign (resid 47 and name HE#) (resid 47 and name HZ) 3 1.2 0.0 ! 8.21e+00 
assign (resid 47 and name HD#) (resid 48 and name HB#) 5.1 3.3 0.0 ! 1.14e+00 
assign (resid 48 and name HA) (resid 48 and name HB#) 3.5 1.7 0.0 ! 2.99e+00 
assign (resid 49 and name HA) (resid 49 and name HB#) 3 1.2 0.0 ! 6.43e+00 
assign (resid 49 and name HE) (resid 49 and name HB#) 5.1 3.3 0.0 ! 1.14e+00 
assign (resid 49 and name HN) (resid 49 and name HB#) 3 1.2 0.0 ! 6.68e+00 
assign (resid 16 and name HD#) (resid 50 and name HG11) 5.1 3.3 0.0 ! 1.41e+00 
assign (resid 16 and name HE#) (resid 50 and name HG11) 5.1 3.3 0.0 ! 2.36e+00 
assign (resid 16 and name HD#) (resid 50 and name HG21) 5.1 3.3 0.0 ! 2.89e+00 
assign (resid 16 and name HE#) (resid 50 and name HG21) 5.1 3.3 0.0 ! 2.32e+00 
assign (resid 49 and name HB#) (resid 50 and name HG21) 5.1 3.3 0.0 ! 1.21e+00 
assign (resid 51 and name HE#) (resid 39 and name HG#) 5.1 3.3 0.0 ! 1.60e+00 
assign (resid 51 and name HE#) (resid 39 and name HB#) 5.1 3.3 0.0 ! 2.25e+00 
assign (resid 51 and name HD#) (resid 42 and name HD11) 5.1 3.3 0.0 ! 2.29e+00 
assign (resid 51 and name HE#) (resid 42 and name HD11) 5.1 3.3 0.0 ! 4.15e+00 
assign (resid 51 and name HD#) (resid 47 and name HA) 3.5 1.7 0.0 ! 2.87e+00 
assign (resid 47 and name HD#) (resid 51 and name HD#) 5.1 3.3 0.0 ! 1.72e+00 
assign (resid 47 and name HE#) (resid 51 and name HD#) 5.1 3.3 0.0 ! 1.25e+00 
assign (resid 47 and name HD#) (resid 51 and name HE#) 5.1 3.3 0.0 ! 1.12e+00 
assign (resid 47 and name HE#) (resid 51 and name HE#) 3.5 1.7 0.0 ! 2.79e+00 
assign (resid 51 and name HD#) (resid 50 and name HG11) 5.1 3.3 0.0 ! 1.70e+00 
assign (resid 51 and name HD#) (resid 50 and name HG21) 5.1 3.3 0.0 ! 1.20e+00 
assign (resid 51 and name HE#) (resid 50 and name HG11) 5.1 3.3 0.0 ! 1.22e+00 
assign (resid 51 and name HD#) (resid 51 and name HA) 3 1.2 0.0 ! 6.59e+00 
assign (resid 51 and name HD#) (resid 51 and name HB#) 3 1.2 0.0 ! 4.33e+00 
assign (resid 51 and name HE#) (resid 51 and name HD#) 3 1.2 0.0 ! 1.28e+01 
assign (resid 51 and name HZ) (resid 51 and name HD#) 5.1 3.3 0.0 ! 1.77e+00 
assign (resid 51 and name HZ) (resid 51 and name HE#) 3 1.2 0.0 ! 8.89e+00 
assign (resid 47 and name HE#) (resid 53 and name HE1) 5.1 3.3 0.0 ! 1.58e+00 
assign (resid 47 and name HE#) (resid 53 and name HG#) 5.1 3.3 0.0 ! 1.16e+00 
assign (resid 53 and name HN) (resid 51 and name HB#) 5.1 3.3 0.0 ! 9.29e-01 
assign (resid 53 and name HN) (resid 53 and name HB#) 5.1 3.3 0.0 ! 1.41e+00 
assign (resid 54 and name HN) (resid 53 and name HG#) 5.1 3.3 0.0 ! 8.17e-01 
assign (resid 47 and name HE#) (resid 55 and name HA) 5.1 3.3 0.0 ! 2.28e+00 
assign (resid 55 and name HA) (resid 55 and name HB#) 3 1.2 0.0 ! 4.54e+00 
assign (resid 55 and name HD#) (resid 55 and name HG#) 5.1 3.3 0.0 ! 1.67e+00 
assign (resid 55 and name HA) (resid 55 and name HG#) 5.1 3.3 0.0 ! 1.94e+00 
assign (resid 57 and name HN) (resid 56 and name HG#) 5.1 3.3 0.0 ! 2.15e+00 
assign (resid 47 and name HE#) (resid 58 and name HB#) 5.1 3.3 0.0 ! 1.87e+00 
assign (resid 47 and name HZ) (resid 58 and name HB#) 5.1 3.3 0.0 ! 1.20e+00 
assign (resid 58 and name HD#) (resid 47 and name HE#) 3.5 1.7 0.0 ! 2.69e+00 
assign (resid 58 and name HD#) (resid 47 and name HZ) 3.5 1.7 0.0 ! 2.61e+00 
assign (resid 58 and name HN) (resid 47 and name HE#) 5.1 3.3 0.0 ! 1.76e+00 
assign (resid 51 and name HD#) (resid 58 and name HD#) 5.1 3.3 0.0 ! 1.10e+00 
assign (resid 58 and name HE#) (resid 51 and name HD#) 5.1 3.3 0.0 ! 1.02e+00 
assign (resid 58 and name HE#) (resid 51 and name HE#) 5.1 3.3 0.0 ! 1.48e+00 
assign (resid 58 and name HD#) (resid 53 and name HE1) 5.1 3.3 0.0 ! 2.01e+00 
assign (resid 58 and name HN) (resid 53 and name HG#) 5.1 3.3 0.0 ! 5.86e-01 
assign (resid 55 and name HA) (resid 58 and name HB#) 3.5 1.7 0.0 ! 2.96e+00 
assign (resid 58 and name HD#) (resid 55 and name HA) 5.1 3.3 0.0 ! 1.01e+00 
assign (resid 58 and name HA) (resid 58 and name HB#) 5.1 3.3 0.0 ! 1.83e+00 
assign (resid 58 and name HD#) (resid 58 and name HA) 3 1.2 0.0 ! 4.52e+00 
assign (resid 58 and name HD#) (resid 58 and name HB#) 3 1.2 0.0 ! 4.24e+00 
assign (resid 58 and name HD#) (resid 58 and name HE#) 3 1.2 0.0 ! 1.57e+01 
assign (resid 58 and name HD#) (resid 58 and name HZ) 3.5 1.7 0.0 ! 3.00e+00 
assign (resid 58 and name HE#) (resid 58 and name HZ) 3 1.2 0.0 ! 8.64e+00 
assign (resid 59 and name HN) (resid 58 and name HD#) 5.1 3.3 0.0 ! 1.57e+00 
assign (resid 59 and name HN) (resid 59 and name HA#) 3.5 1.7 0.0 ! 3.40e+00 
assign (resid 60 and name HE#) (resid 60 and name HD#) 3.5 1.7 0.0 ! 3.00e+00 
assign (resid 60 and name HA) (resid 60 and name HG#) 3.5 1.7 0.0 ! 3.04e+00 
assign (resid 58 and name HD#) (resid 61 and name HD11) 5.1 3.3 0.0 ! 2.64e+00 
assign (resid 63 and name HA) (resid 63 and name HB#) 3 1.2 0.0 ! 4.23e+00 
assign (resid 63 and name HN) (resid 63 and name HB#) 3 1.2 0.0 ! 4.92e+00 
assign (resid 64 and name HA) (resid 64 and name HB#) 3 1.2 0.0 ! 9.29e+00 
assign (resid 64 and name HE3) (resid 64 and name HB#) 3 1.2 0.0 ! 1.59e+00 
assign (resid 64 and name HN) (resid 64 and name HB#) 3.5 1.7 0.0 ! 2.57e+00 
assign (resid 62 and name HB1) (resid 65 and name HB#) 5.1 3.3 0.0 ! 1.69e+00 
assign (resid 64 and name HE3) (resid 65 and name HB#) 5.1 3.3 0.0 ! 1.09e+00 
assign (resid 65 and name HA) (resid 65 and name HB#) 3.5 1.7 0.0 ! 2.93e+00 
assign (resid 65 and name HA) (resid 65 and name HD#) 5.1 3.3 0.0 ! 1.36e+00 
assign (resid 65 and name HG#) (resid 65 and name HB#) 5.1 3.3 0.0 ! 1.68e+00 
assign (resid 65 and name HN) (resid 65 and name HB#) 3.5 1.7 0.0 ! 2.37e+00 
assign (resid 58 and name HE#) (resid 66 and name HA) 5.1 3.3 0.0 ! 1.71e+00 
assign (resid 58 and name HE#) (resid 66 and name HB2) 5.1 3.3 0.0 ! 2.15e+00 
assign (resid 58 and name HE#) (resid 66 and name HG#) 5.1 3.3 0.0 ! 7.68e-01 
assign (resid 66 and name HA) (resid 66 and name HG#) 5.1 3.3 0.0 ! 1.10e+00 
assign (resid 66 and name HD#) (resid 66 and name HG#) 5.1 3.3 0.0 ! 1.13e+00 
assign (resid 67 and name HD2#) (resid 67 and name HB2) 5.1 3.3 0.0 ! 1.84e+00 
assign (resid 64 and name HE3) (resid 68 and name HB#) 5.1 3.3 0.0 ! 1.18e+00 
assign (resid 65 and name HA) (resid 68 and name HB#) 3.5 1.7 0.0 ! 2.93e+00 
assign (resid 68 and name HA) (resid 68 and name HB#) 3 1.2 0.0 ! 4.77e+00 
assign (resid 68 and name HB#) (resid 68 and name HG#) 3.5 1.7 0.0 ! 3.31e+00 
assign (resid 68 and name HN) (resid 68 and name HB#) 3 1.2 0.0 ! 6.67e+00 
assign (resid 51 and name HD#) (resid 69 and name HB1) 5.1 3.3 0.0 ! 2.22e+00 
assign (resid 51 and name HE#) (resid 69 and name HB1) 5.1 3.3 0.0 ! 1.71e+00 
assign (resid 51 and name HD#) (resid 69 and name HB2) 5.1 3.3 0.0 ! 2.01e+00 
assign (resid 51 and name HD#) (resid 69 and name HD21) 5.1 3.3 0.0 ! 2.12e+00 
assign (resid 58 and name HD#) (resid 69 and name HB2) 5.1 3.3 0.0 ! 1.21e+00 
assign (resid 58 and name HE#) (resid 69 and name HB2) 3.5 1.7 0.0 ! 2.67e+00 
assign (resid 58 and name HD#) (resid 69 and name HD11) 5.1 3.3 0.0 ! 4.36e+00 
assign (resid 58 and name HE#) (resid 69 and name HD11) 3.5 1.7 0.0 ! 7.20e+00 
assign (resid 51 and name HE#) (resid 70 and name HA) 3 1.2 0.0 ! 3.89e+00 
assign (resid 70 and name HN) (resid 51 and name HE#) 5.1 3.3 0.0 ! 7.45e-01 
assign (resid 58 and name HZ) (resid 70 and name HD#) 5.1 3.3 0.0 ! 1.34e+00 
assign (resid 70 and name HN) (resid 58 and name HE#) 5.1 3.3 0.0 ! 8.92e-01 
assign (resid 70 and name HN) (resid 70 and name HG#) 5.1 3.3 0.0 ! 1.66e+00 
assign (resid 70 and name HN) (resid 71 and name HE#) 5.1 3.3 0.0 ! 1.18e+00 
assign (resid 71 and name HN) (resid 71 and name HB#) 3.5 1.7 0.0 ! 3.22e+00 
assign (resid 16 and name HE#) (resid 73 and name HB1) 5.1 3.3 0.0 ! 4.51e+00 
assign (resid 51 and name HE#) (resid 73 and name HB1) 5.1 3.3 0.0 ! 3.46e+00 
assign (resid 16 and name HD#) (resid 75 and name HD11) 3.5 1.7 0.0 ! 4.78e+00 
assign (resid 16 and name HE#) (resid 75 and name HD11) 3.5 1.7 0.0 ! 6.68e+00 
assign (resid 16 and name HE#) (resid 75 and name HD21) 3.5 1.7 0.0 ! 4.87e+00 
assign (resid 16 and name HD#) (resid 75 and name HG) 5.1 3.3 0.0 ! 1.09e+00 
assign (resid 16 and name HE#) (resid 75 and name HG) 3 1.2 0.0 ! 4.14e+00 
assign (resid 51 and name HE#) (resid 75 and name HG) 5.1 3.3 0.0 ! 9.34e-01 
assign (resid 76 and name HD#) (resid 67 and name HB2) 5.1 3.3 0.0 ! 9.92e-01 
assign (resid 76 and name HD#) (resid 70 and name HE#) 5.1 3.3 0.0 ! 1.47e+00 
assign (resid 71 and name HA) (resid 76 and name HB#) 3.5 1.7 0.0 ! 2.63e+00 
assign (resid 76 and name HD#) (resid 71 and name HA) 5.1 3.3 0.0 ! 1.71e+00 
assign (resid 71 and name HN) (resid 76 and name HD#) 5.1 3.3 0.0 ! 7.40e-01 
assign (resid 76 and name HA) (resid 76 and name HB#) 3.5 1.7 0.0 ! 2.54e+00 
assign (resid 76 and name HD#) (resid 76 and name HA) 5.1 3.3 0.0 ! 1.92e+00 
assign (resid 76 and name HD#) (resid 76 and name HB#) 3.5 1.7 0.0 ! 2.41e+00 
assign (resid 76 and name HE#) (resid 76 and name HD#) 3 1.2 0.0 ! 2.28e+01 
assign (resid 76 and name HN) (resid 76 and name HB#) 3.5 1.7 0.0 ! 2.44e+00 
assign (resid 14 and name HE#) (resid 12 and name HA) 5.1 3.3 0.0 ! 5.23e-01 
assign (resid 14 and name HD#) (resid 13 and name HA) 5.1 3.3 0.0 ! 5.82e-01 
assign (resid 14 and name HA) (resid 14 and name HB#) 3.5 1.7 0.0 ! 1.76e+00 
assign (resid 14 and name HE#) (resid 14 and name HA) 5.1 3.3 0.0 ! 4.74e-01 
assign (resid 14 and name HA) (resid 15 and name HD#) 3.5 1.7 0.0 ! 1.28e+00 
assign (resid 15 and name HA) (resid 15 and name HB#) 3 1.2 0.0 ! 3.44e+00 
assign (resid 15 and name HA) (resid 15 and name HG#) 3.5 1.7 0.0 ! 1.38e+00 
assign (resid 16 and name HA) (resid 16 and name HB#) 3 1.2 0.0 ! 2.24e+00 
assign (resid 16 and name HA) (resid 16 and name HB#) 3.5 1.7 0.0 ! 1.77e+00 
assign (resid 16 and name HE#) (resid 16 and name HA) 5.1 3.3 0.0 ! 7.60e-01 
assign (resid 16 and name HE#) (resid 16 and name HB#) 5.1 3.3 0.0 ! 5.95e-01 
assign (resid 16 and name HE#) (resid 16 and name HB#) 5.1 3.3 0.0 ! 8.19e-01 
assign (resid 16 and name HD#) (resid 17 and name HA) 5.1 3.3 0.0 ! 7.65e-01 
assign (resid 16 and name HE#) (resid 17 and name HA) 5.1 3.3 0.0 ! 3.56e-01 
assign (resid 16 and name HD#) (resid 17 and name HG#) 5.1 3.3 0.0 ! 5.91e-01 
assign (resid 18 and name HA) (resid 18 and name HG#) 3 1.2 0.0 ! 2.59e+00 
assign (resid 14 and name HB#) (resid 19 and name HD11) 3.5 1.7 0.0 ! 2.30e+00 
assign (resid 14 and name HE#) (resid 19 and name HD11) 5.1 3.3 0.0 ! 4.91e-01 
assign (resid 14 and name HB#) (resid 19 and name HD21) 5.1 3.3 0.0 ! 1.15e+00 
assign (resid 14 and name HE#) (resid 19 and name HD21) 5.1 3.3 0.0 ! 6.57e-01 
assign (resid 16 and name HD#) (resid 19 and name HD11) 5.1 3.3 0.0 ! 8.41e-01 
assign (resid 16 and name HE#) (resid 20 and name HA) 5.1 3.3 0.0 ! 4.26e-01 
assign (resid 16 and name HE#) (resid 20 and name HB) 5.1 3.3 0.0 ! 4.00e-01 
assign (resid 23 and name HA) (resid 23 and name HB#) 3 1.2 0.0 ! 3.98e+00 
assign (resid 26 and name HA) (resid 26 and name HB#) 3 1.2 0.0 ! 4.10e+00 
assign (resid 30 and name HD#) (resid 19 and name HD21) 5.1 3.3 0.0 ! 7.29e-01 
assign (resid 30 and name HA) (resid 30 and name HB#) 3 1.2 0.0 ! 2.72e+00 
assign (resid 31 and name HD#) (resid 31 and name HB#) 5.1 3.3 0.0 ! 5.27e-01 
assign (resid 31 and name HA) (resid 31 and name HG#) 3.5 1.7 0.0 ! 1.41e+00 
assign (resid 31 and name HD#) (resid 31 and name HG#) 3.5 1.7 0.0 ! 1.24e+00 
assign (resid 14 and name HE#) (resid 33 and name HA) 5.1 3.3 0.0 ! 4.53e-01 
assign (resid 30 and name HB#) (resid 33 and name HG11) 5.1 3.3 0.0 ! 6.01e-01 
assign (resid 30 and name HD#) (resid 33 and name HG11) 5.1 3.3 0.0 ! 6.89e-01 
assign (resid 30 and name HG#) (resid 33 and name HG21) 5.1 3.3 0.0 ! 1.41e+00 
assign (resid 34 and name HB#) (resid 11 and name HD21) 5.1 3.3 0.0 ! 1.14e+00 
assign (resid 33 and name HA) (resid 34 and name HB#) 3.5 1.7 0.0 ! 1.43e+00 
assign (resid 34 and name HA) (resid 34 and name HB#) 3 1.2 0.0 ! 3.11e+00 
assign (resid 36 and name HA) (resid 36 and name HB#) 3 1.2 0.0 ! 5.98e+00 
assign (resid 36 and name HA) (resid 36 and name HG#) 3 1.2 0.0 ! 2.02e+00 
assign (resid 37 and name HA) (resid 37 and name HB#) 3 1.2 0.0 ! 2.43e+00 
assign (resid 37 and name HA) (resid 37 and name HD#) 3 1.2 0.0 ! 2.62e+00 
assign (resid 37 and name HA) (resid 37 and name HG#) 3 1.2 0.0 ! 3.14e+00 
assign (resid 40 and name HD#) (resid 11 and name HD11) 5.1 3.3 0.0 ! 1.38e+00 
assign (resid 40 and name HA) (resid 40 and name HD#) 3.5 1.7 0.0 ! 1.54e+00 
assign (resid 40 and name HA) (resid 40 and name HG#) 3 1.2 0.0 ! 3.10e+00 
assign (resid 41 and name HE1) (resid 11 and name HB#) 5.1 3.3 0.0 ! 8.25e-01 
assign (resid 14 and name HD#) (resid 41 and name HA) 5.1 3.3 0.0 ! 5.67e-01 
assign (resid 14 and name HE#) (resid 41 and name HB#) 5.1 3.3 0.0 ! 3.49e-01 
assign (resid 41 and name HB#) (resid 19 and name HD11) 3.5 1.7 0.0 ! 2.45e+00 
assign (resid 41 and name HB#) (resid 19 and name HD21) 5.1 3.3 0.0 ! 7.46e-01 
assign (resid 38 and name HA) (resid 41 and name HB#) 5.1 3.3 0.0 ! 4.13e-01 
assign (resid 41 and name HA) (resid 41 and name HB#) 3 1.2 0.0 ! 2.42e+00 
assign (resid 41 and name HD2) (resid 41 and name HB#) 3.5 1.7 0.0 ! 1.53e+00 
assign (resid 16 and name HB#) (resid 42 and name HD21) 5.1 3.3 0.0 ! 1.79e+00 
assign (resid 45 and name HA) (resid 45 and name HG#) 3.5 1.7 0.0 ! 1.26e+00 
assign (resid 16 and name HD#) (resid 46 and name HB#) 5.1 3.3 0.0 ! 2.51e-01 
assign (resid 46 and name HB#) (resid 42 and name HD11) 5.1 3.3 0.0 ! 6.73e-01 
assign (resid 46 and name HA) (resid 46 and name HB#) 3 1.2 0.0 ! 1.99e+00 
assign (resid 47 and name HE#) (resid 39 and name HA) 5.1 3.3 0.0 ! 7.01e-01 
assign (resid 47 and name HB#) (resid 42 and name HD11) 5.1 3.3 0.0 ! 1.12e+00 
assign (resid 44 and name HA) (resid 47 and name HB#) 3 1.2 0.0 ! 2.26e+00 
assign (resid 47 and name HB#) (resid 47 and name HB#) 3 1.2 0.0 ! 5.06e+00 
assign (resid 47 and name HE#) (resid 47 and name HB#) 5.1 3.3 0.0 ! 3.42e-01 
assign (resid 47 and name HE#) (resid 48 and name HA) 5.1 3.3 0.0 ! 3.09e-01 
assign (resid 46 and name HA) (resid 49 and name HB#) 3 1.2 0.0 ! 3.50e+00 
assign (resid 46 and name HA) (resid 49 and name HG#) 5.1 3.3 0.0 ! 5.08e-01 
assign (resid 49 and name HA) (resid 49 and name HG#) 3 1.2 0.0 ! 2.85e+00 
assign (resid 49 and name HD#) (resid 49 and name HG#) 3.5 1.7 0.0 ! 1.27e+00 
assign (resid 46 and name HB#) (resid 50 and name HG11) 5.1 3.3 0.0 ! 2.32e-01 
assign (resid 46 and name HB#) (resid 50 and name HG21) 5.1 3.3 0.0 ! 5.01e-01 
assign (resid 51 and name HE#) (resid 39 and name HA) 3.5 1.7 0.0 ! 1.23e+00 
assign (resid 51 and name HD#) (resid 47 and name HZ) 5.1 3.3 0.0 ! 4.08e-01 
assign (resid 51 and name HE#) (resid 47 and name HA) 5.1 3.3 0.0 ! 6.03e-01 
assign (resid 51 and name HD#) (resid 50 and name HB) 5.1 3.3 0.0 ! 1.01e+00 
assign (resid 51 and name HE#) (resid 50 and name HB) 5.1 3.3 0.0 ! 4.49e-01 
assign (resid 51 and name HE#) (resid 50 and name HG21) 5.1 3.3 0.0 ! 5.66e-01 
assign (resid 51 and name HA) (resid 51 and name HB#) 3.5 1.7 0.0 ! 1.81e+00 
assign (resid 47 and name HD#) (resid 53 and name HB#) 5.1 3.3 0.0 ! 4.09e-01 
assign (resid 51 and name HD#) (resid 53 and name HE1) 5.1 3.3 0.0 ! 5.13e-01 
assign (resid 53 and name HA) (resid 53 and name HB#) 3 1.2 0.0 ! 5.29e+00 
assign (resid 53 and name HA) (resid 53 and name HG#) 3.5 1.7 0.0 ! 1.53e+00 
assign (resid 47 and name HD#) (resid 54 and name HA) 5.1 3.3 0.0 ! 1.05e+00 
assign (resid 47 and name HE#) (resid 54 and name HA) 5.1 3.3 0.0 ! 3.74e-01 
assign (resid 47 and name HD#) (resid 55 and name HG#) 5.1 3.3 0.0 ! 7.20e-01 
assign (resid 54 and name HA) (resid 55 and name HD#) 3 1.2 0.0 ! 4.47e+00 
assign (resid 54 and name HA) (resid 55 and name HG#) 3.5 1.7 0.0 ! 1.66e+00 
assign (resid 56 and name HA) (resid 56 and name HG#) 3.5 1.7 0.0 ! 1.66e+00 
assign (resid 57 and name HA) (resid 56 and name HG#) 3.5 1.7 0.0 ! 1.78e+00 
assign (resid 57 and name HA) (resid 57 and name HG#) 3.5 1.7 0.0 ! 1.26e+00 
assign (resid 47 and name HE#) (resid 58 and name HA) 5.1 3.3 0.0 ! 4.51e-01 
assign (resid 58 and name HE#) (resid 47 and name HE#) 5.1 3.3 0.0 ! 4.33e-01 
assign (resid 58 and name HE#) (resid 47 and name HZ) 5.1 3.3 0.0 ! 4.22e-01 
assign (resid 58 and name HD#) (resid 51 and name HD#) 5.1 3.3 0.0 ! 7.74e-01 
assign (resid 58 and name HD#) (resid 51 and name HE#) 5.1 3.3 0.0 ! 5.73e-01 
assign (resid 58 and name HZ) (resid 51 and name HD#) 5.1 3.3 0.0 ! 2.58e-01 
assign (resid 58 and name HZ) (resid 51 and name HE#) 5.1 3.3 0.0 ! 5.63e-01 
assign (resid 58 and name HE#) (resid 53 and name HE1) 5.1 3.3 0.0 ! 9.25e-01 
assign (resid 58 and name HB#) (resid 58 and name HB#) 3 1.2 0.0 ! 3.41e+00 
assign (resid 58 and name HE#) (resid 58 and name HA) 5.1 3.3 0.0 ! 4.25e-01 
assign (resid 57 and name HA) (resid 60 and name HB#) 3.5 1.7 0.0 ! 1.55e+00 
assign (resid 60 and name HA) (resid 60 and name HB#) 3 1.2 0.0 ! 3.20e+00 
assign (resid 58 and name HE#) (resid 61 and name HD11) 5.1 3.3 0.0 ! 7.97e-01 
assign (resid 61 and name HA) (resid 65 and name HG#) 3.5 1.7 0.0 ! 2.60e+00 
assign (resid 62 and name HB1) (resid 65 and name HG#) 3 1.2 0.0 ! 4.11e+00 
assign (resid 64 and name HH2) (resid 65 and name HB#) 5.1 3.3 0.0 ! 3.16e-01 
assign (resid 64 and name HE3) (resid 65 and name HD#) 5.1 3.3 0.0 ! 4.28e-01 
assign (resid 65 and name HA) (resid 65 and name HG#) 5.1 3.3 0.0 ! 7.52e-01 
assign (resid 65 and name HE#) (resid 65 and name HG#) 5.1 3.3 0.0 ! 9.10e-01 
assign (resid 58 and name HD#) (resid 66 and name HA) 5.1 3.3 0.0 ! 6.05e-01 
assign (resid 58 and name HD#) (resid 66 and name HB1) 5.1 3.3 0.0 ! 4.52e-01 
assign (resid 58 and name HE#) (resid 66 and name HB1) 3.5 1.7 0.0 ! 1.11e+00 
assign (resid 58 and name HD#) (resid 66 and name HD#) 5.1 3.3 0.0 ! 7.16e-01 
assign (resid 58 and name HE#) (resid 66 and name HD#) 3.5 1.7 0.0 ! 1.15e+00 
assign (resid 58 and name HZ) (resid 66 and name HD#) 5.1 3.3 0.0 ! 3.83e-01 
assign (resid 58 and name HZ) (resid 66 and name HD#) 5.1 3.3 0.0 ! 2.76e-01 
assign (resid 58 and name HD#) (resid 66 and name HG#) 5.1 3.3 0.0 ! 5.08e-01 
assign (resid 58 and name HZ) (resid 66 and name HG#) 5.1 3.3 0.0 ! 3.70e-01 
assign (resid 61 and name HB2) (resid 66 and name HG#) 3.5 1.7 0.0 ! 1.13e+00 
assign (resid 61 and name HD11) (resid 66 and name HG#) 5.1 3.3 0.0 ! 3.72e-01 
assign (resid 63 and name HA) (resid 66 and name HD#) 5.1 3.3 0.0 ! 5.94e-01 
assign (resid 66 and name HB2) (resid 66 and name HG#) 5.1 3.3 0.0 ! 1.02e+00 
assign (resid 65 and name HA) (resid 68 and name HG#) 5.1 3.3 0.0 ! 3.99e-01 
assign (resid 68 and name HA) (resid 68 and name HG#) 3 1.2 0.0 ! 2.12e+00 
assign (resid 51 and name HD#) (resid 69 and name HA) 5.1 3.3 0.0 ! 6.08e-01 
assign (resid 51 and name HE#) (resid 69 and name HD21) 5.1 3.3 0.0 ! 6.06e-01 
assign (resid 51 and name HD#) (resid 69 and name HG) 5.1 3.3 0.0 ! 4.32e-01 
assign (resid 58 and name HE#) (resid 69 and name HD21) 5.1 3.3 0.0 ! 7.09e-01 
assign (resid 58 and name HE#) (resid 69 and name HG) 5.1 3.3 0.0 ! 6.84e-01 
assign (resid 51 and name HD#) (resid 70 and name HA) 5.1 3.3 0.0 ! 5.39e-01 
assign (resid 71 and name HA) (resid 71 and name HG#) 3.5 1.7 0.0 ! 1.76e+00 
assign (resid 71 and name HD#) (resid 71 and name HG#) 3 1.2 0.0 ! 2.27e+00 
assign (resid 71 and name HE#) (resid 71 and name HG#) 5.1 3.3 0.0 ! 6.89e-01 
assign (resid 51 and name HD#) (resid 73 and name HB1) 5.1 3.3 0.0 ! 1.02e+00 
assign (resid 16 and name HE#) (resid 75 and name HA) 5.1 3.3 0.0 ! 2.27e-01 
assign (resid 16 and name HE#) (resid 75 and name HB1) 5.1 3.3 0.0 ! 3.64e-01 
assign (resid 16 and name HE#) (resid 75 and name HB2) 5.1 3.3 0.0 ! 4.44e-01 
assign (resid 51 and name HE#) (resid 75 and name HB2) 5.1 3.3 0.0 ! 7.86e-01 
assign (resid 76 and name HE#) (resid 36 and name HA) 5.1 3.3 0.0 ! 3.17e-01 
assign (resid 76 and name HD#) (resid 67 and name HA) 5.1 3.3 0.0 ! 8.20e-01 
assign (resid 76 and name HA) (resid 70 and name HE#) 5.1 3.3 0.0 ! 9.41e-01 
assign (resid 76 and name HB#) (resid 70 and name HB2) 5.1 3.3 0.0 ! 7.38e-01 
assign (resid 76 and name HD#) (resid 70 and name HB1) 5.1 3.3 0.0 ! 6.33e-01 
assign (resid 76 and name HD#) (resid 70 and name HD#) 5.1 3.3 0.0 ! 3.64e-01 
assign (resid 76 and name HB#) (resid 71 and name HG#) 5.1 3.3 0.0 ! 5.58e-01 
assign (resid 76 and name HD#) (resid 71 and name HE#) 5.1 3.3 0.0 ! 4.96e-01 
assign (resid 76 and name HD#) (resid 71 and name HG#) 5.1 3.3 0.0 ! 6.88e-01 
assign (resid 75 and name HA) (resid 76 and name HB#) 5.1 3.3 0.0 ! 1.70e+00 
assign (resid 11 and name HN) (resid 10 and name HA#) 3 1.2 0.0 ! 1.20e+01 
assign (resid 11 and name HN) (resid 11 and name HB#) 3 1.2 0.0 ! 8.21e+00 
assign (resid 12 and name HN) (resid 11 and name HB#) 3.5 1.7 0.0 ! 2.45e+00 
assign (resid 12 and name HE2#) (resid 12 and name HA) 5.1 3.3 0.0 ! 5.00e-01 
assign (resid 12 and name HE2#) (resid 12 and name HG#) 3.5 1.7 0.0 ! 1.41e+00 
assign (resid 12 and name HN) (resid 12 and name HB#) 3 1.2 0.0 ! 3.04e+00 
assign (resid 12 and name HN) (resid 12 and name HG#) 3.5 1.7 0.0 ! 2.80e+00 
assign (resid 13 and name HN) (resid 12 and name HB#) 5.1 3.3 0.0 ! 1.15e+00 
assign (resid 13 and name HN) (resid 12 and name HG#) 5.1 3.3 0.0 ! 4.47e-01 
assign (resid 14 and name HN) (resid 14 and name HB#) 5.1 3.3 0.0 ! 5.86e-01 
assign (resid 14 and name HN) (resid 14 and name HD#) 3.5 1.7 0.0 ! 1.51e+00 
assign (resid 16 and name HN) (resid 15 and name HG#) 5.1 3.3 0.0 ! 7.91e-01 
assign (resid 16 and name HN) (resid 16 and name HB#) 3 1.2 0.0 ! 5.56e+00 
assign (resid 16 and name HN) (resid 16 and name HD#) 5.1 3.3 0.0 ! 2.56e+00 
assign (resid 17 and name HN) (resid 16 and name HB#) 3.5 1.7 0.0 ! 1.38e+00 
assign (resid 17 and name HN) (resid 16 and name HD#) 3 1.2 0.0 ! 2.92e+00 
assign (resid 17 and name HN) (resid 16 and name HE#) 5.1 3.3 0.0 ! 4.95e-01 
assign (resid 17 and name HN) (resid 17 and name HG#) 3.5 1.7 0.0 ! 2.31e+00 
assign (resid 18 and name HN) (resid 18 and name HB#) 3.5 1.7 0.0 ! 2.18e+00 
assign (resid 18 and name HN) (resid 18 and name HG#) 3.5 1.7 0.0 ! 1.88e+00 
assign (resid 19 and name HN) (resid 18 and name HB#) 3.5 1.7 0.0 ! 1.37e+00 
assign (resid 23 and name HD2#) (resid 23 and name HA) 5.1 3.3 0.0 ! 4.54e-01 
assign (resid 23 and name HD2#) (resid 23 and name HB#) 3 1.2 0.0 ! 3.10e+00 
assign (resid 23 and name HN) (resid 23 and name HB#) 3.5 1.7 0.0 ! 2.29e+00 
assign (resid 24 and name HN) (resid 24 and name HB#) 3.5 1.7 0.0 ! 2.04e+00 
assign (resid 24 and name HN) (resid 24 and name HD#) 3 1.2 0.0 ! 3.39e+00 
assign (resid 24 and name HN) (resid 24 and name HG#) 3.5 1.7 0.0 ! 2.53e+00 
assign (resid 25 and name HN) (resid 24 and name HB#) 5.1 3.3 0.0 ! 8.65e-01 
assign (resid 25 and name HN) (resid 25 and name HA#) 3 1.2 0.0 ! 4.78e+00 
assign (resid 26 and name HN) (resid 25 and name HA#) 3 1.2 0.0 ! 3.25e+00 
assign (resid 26 and name HE) (resid 26 and name HB#) 5.1 3.3 0.0 ! -6.53e-01 
assign (resid 26 and name HE) (resid 26 and name HD#) 5.1 3.3 0.0 ! -1.18e+00 
assign (resid 26 and name HE) (resid 26 and name HG#) 5.1 3.3 0.0 ! -4.87e-01 
assign (resid 26 and name HN) (resid 26 and name HB#) 3 1.2 0.0 ! 3.19e+00 
assign (resid 26 and name HN) (resid 26 and name HD#) 3 1.2 0.0 ! 4.66e+00 
assign (resid 26 and name HN) (resid 26 and name HG#) 3 1.2 0.0 ! 4.89e+00 
assign (resid 27 and name HN) (resid 26 and name HB#) 5.1 3.3 0.0 ! 8.25e-01 
assign (resid 27 and name HN) (resid 26 and name HG#) 5.1 3.3 0.0 ! 8.94e-01 
assign (resid 28 and name HN) (resid 28 and name HB#) 3 1.2 0.0 ! 3.77e+00 
assign (resid 28 and name HN) (resid 28 and name HG#) 3 1.2 0.0 ! 3.13e+00 
assign (resid 29 and name HN) (resid 28 and name HB#) 5.1 3.3 0.0 ! 1.28e+00 
assign (resid 29 and name HN) (resid 28 and name HG#) 5.1 3.3 0.0 ! 1.20e+00 
assign (resid 29 and name HN) (resid 30 and name HD#) 5.1 3.3 0.0 ! 4.95e-01 
assign (resid 32 and name HN) (resid 31 and name HB#) 5.1 3.3 0.0 ! 9.52e-01 
assign (resid 33 and name HN) (resid 32 and name HA#) 3 1.2 0.0 ! 3.63e+00 
assign (resid 34 and name HN) (resid 34 and name HB#) 3.5 1.7 0.0 ! 2.65e+00 
assign (resid 35 and name HN) (resid 34 and name HB#) 5.1 3.3 0.0 ! 1.18e+00 
assign (resid 35 and name HN) (resid 35 and name HB#) 3 1.2 0.0 ! 6.99e+00 
assign (resid 36 and name HN) (resid 34 and name HB#) 5.1 3.3 0.0 ! 4.20e-01 
assign (resid 36 and name HN) (resid 35 and name HB#) 5.1 3.3 0.0 ! 1.30e+00 
assign (resid 37 and name HN) (resid 36 and name HB#) 3.5 1.7 0.0 ! 1.40e+00 
assign (resid 37 and name HE) (resid 37 and name HD#) 3.5 1.7 0.0 ! -2.15e+00 
assign (resid 37 and name HE) (resid 37 and name HG#) 5.1 3.3 0.0 ! -7.99e-01 
assign (resid 38 and name HN) (resid 37 and name HD#) 5.1 3.3 0.0 ! 3.17e-01 
assign (resid 39 and name HN) (resid 34 and name HB#) 5.1 3.3 0.0 ! 4.44e-01 
assign (resid 39 and name HN) (resid 39 and name HB#) 3 1.2 0.0 ! 4.54e+00 
assign (resid 39 and name HN) (resid 39 and name HG#) 3.5 1.7 0.0 ! 1.48e+00 
assign (resid 40 and name HN) (resid 39 and name HG#) 5.1 3.3 0.0 ! 5.81e-01 
assign (resid 40 and name HE) (resid 40 and name HB#) 5.1 3.3 0.0 ! -5.97e-01 
assign (resid 40 and name HE) (resid 40 and name HD#) 3 1.2 0.0 ! -2.90e+00 
assign (resid 40 and name HE) (resid 40 and name HG#) 5.1 3.3 0.0 ! -8.92e-01 
assign (resid 40 and name HN) (resid 40 and name HB#) 3.5 1.7 0.0 ! 2.02e+00 
assign (resid 40 and name HN) (resid 40 and name HD#) 5.1 3.3 0.0 ! 1.26e+00 
assign (resid 40 and name HN) (resid 40 and name HG#) 3.5 1.7 0.0 ! 1.37e+00 
assign (resid 14 and name HN) (resid 41 and name HB#) 5.1 3.3 0.0 ! 8.75e-01 
assign (resid 40 and name HN) (resid 41 and name HB#) 5.1 3.3 0.0 ! 3.32e-01 
assign (resid 41 and name HN) (resid 40 and name HB#) 5.1 3.3 0.0 ! 1.07e+00 
assign (resid 41 and name HN) (resid 41 and name HB#) 3.5 1.7 0.0 ! 2.60e+00 
assign (resid 42 and name HN) (resid 41 and name HB#) 5.1 3.3 0.0 ! 5.69e-01 
assign (resid 45 and name HN) (resid 45 and name HG#) 3.5 1.7 0.0 ! 1.54e+00 
assign (resid 16 and name HN) (resid 46 and name HB#) 5.1 3.3 0.0 ! 8.00e-01 
assign (resid 43 and name HN) (resid 46 and name HB#) 5.1 3.3 0.0 ! 1.17e+00 
assign (resid 46 and name HN) (resid 45 and name HB#) 3 1.2 0.0 ! 2.91e+00 
assign (resid 46 and name HN) (resid 45 and name HG#) 5.1 3.3 0.0 ! 8.06e-01 
assign (resid 46 and name HN) (resid 47 and name HB#) 5.1 3.3 0.0 ! 4.14e-01 
assign (resid 47 and name HN) (resid 46 and name HB#) 3.5 1.7 0.0 ! 1.55e+00 
assign (resid 47 and name HN) (resid 48 and name HB#) 5.1 3.3 0.0 ! 6.11e-01 
assign (resid 48 and name HN) (resid 47 and name HB#) 3 1.2 0.0 ! 5.31e+00 
assign (resid 48 and name HN) (resid 47 and name HD#) 3.5 1.7 0.0 ! 1.73e+00 
assign (resid 48 and name HN) (resid 48 and name HB#) 3 1.2 0.0 ! 4.38e+00 
assign (resid 49 and name HN) (resid 47 and name HB#) 5.1 3.3 0.0 ! 6.03e-01 
assign (resid 49 and name HE) (resid 49 and name HD#) 3.5 1.7 0.0 ! -1.53e+00 
assign (resid 49 and name HE) (resid 49 and name HG#) 5.1 3.3 0.0 ! -7.65e-01 
assign (resid 49 and name HN) (resid 49 and name HD#) 5.1 3.3 0.0 ! 9.27e-01 
assign (resid 49 and name HN) (resid 49 and name HG#) 3.5 1.7 0.0 ! 2.19e+00 
assign (resid 50 and name HN) (resid 49 and name HB#) 3 1.2 0.0 ! 3.91e+00 
assign (resid 50 and name HN) (resid 49 and name HG#) 5.1 3.3 0.0 ! 5.51e-01 
assign (resid 47 and name HN) (resid 51 and name HD#) 5.1 3.3 0.0 ! 3.30e-01 
assign (resid 51 and name HN) (resid 49 and name HB#) 5.1 3.3 0.0 ! 4.21e-01 
assign (resid 50 and name HN) (resid 51 and name HD#) 5.1 3.3 0.0 ! 5.30e-01 
assign (resid 51 and name HN) (resid 51 and name HB#) 3.5 1.7 0.0 ! 1.64e+00 
assign (resid 51 and name HN) (resid 51 and name HD#) 3.5 1.7 0.0 ! 2.01e+00 
assign (resid 52 and name HN) (resid 51 and name HB#) 5.1 3.3 0.0 ! 1.02e+00 
assign (resid 52 and name HN) (resid 51 and name HD#) 5.1 3.3 0.0 ! 6.11e-01 
assign (resid 53 and name HN) (resid 47 and name HD#) 3.5 1.7 0.0 ! 1.50e+00 
assign (resid 53 and name HN) (resid 47 and name HE#) 5.1 3.3 0.0 ! 6.59e-01 
assign (resid 53 and name HN) (resid 51 and name HD#) 5.1 3.3 0.0 ! 6.44e-01 
assign (resid 53 and name HN) (resid 53 and name HG#) 5.1 3.3 0.0 ! 8.96e-01 
assign (resid 54 and name HN) (resid 53 and name HB#) 3 1.2 0.0 ! 5.14e+00 
assign (resid 54 and name HN) (resid 55 and name HD#) 5.1 3.3 0.0 ! 4.61e-01 
assign (resid 56 and name HN) (resid 55 and name HB#) 3 1.2 0.0 ! 4.77e+00 
assign (resid 56 and name HN) (resid 55 and name HD#) 3.5 1.7 0.0 ! 1.98e+00 
assign (resid 56 and name HN) (resid 56 and name HG#) 3.5 1.7 0.0 ! 1.41e+00 
assign (resid 57 and name HN) (resid 55 and name HD#) 5.1 3.3 0.0 ! 3.94e-01 
assign (resid 57 and name HN) (resid 57 and name HG#) 3.5 1.7 0.0 ! 1.43e+00 
assign (resid 58 and name HN) (resid 55 and name HB#) 5.1 3.3 0.0 ! 3.89e-01 
assign (resid 57 and name HN) (resid 58 and name HB#) 5.1 3.3 0.0 ! 6.58e-01 
assign (resid 58 and name HN) (resid 58 and name HB#) 3 1.2 0.0 ! 4.88e+00 
assign (resid 58 and name HN) (resid 58 and name HD#) 3.5 1.7 0.0 ! 2.23e+00 
assign (resid 59 and name HN) (resid 58 and name HB#) 3.5 1.7 0.0 ! -1.73e+00 
assign (resid 60 and name HN) (resid 60 and name HB#) 3 1.2 0.0 ! 4.59e+00 
assign (resid 60 and name HN) (resid 60 and name HE#) 3.5 1.7 0.0 ! 1.56e+00 
assign (resid 60 and name HN) (resid 60 and name HG#) 5.1 3.3 0.0 ! 7.76e-01 
assign (resid 61 and name HN) (resid 60 and name HB#) 5.1 3.3 0.0 ! 7.17e-01 
assign (resid 61 and name HN) (resid 60 and name HG#) 5.1 3.3 0.0 ! 7.10e-01 
assign (resid 63 and name HN) (resid 64 and name HB#) 5.1 3.3 0.0 ! 2.81e-01 
assign (resid 64 and name HN) (resid 63 and name HB#) 3 1.2 0.0 ! 4.35e+00 
assign (resid 64 and name HE1) (resid 64 and name HB#) 5.1 3.3 0.0 ! 6.51e-01 
assign (resid 62 and name HN) (resid 65 and name HB#) 3.5 1.7 0.0 ! 1.32e+00 
assign (resid 62 and name HN) (resid 65 and name HG#) 3.5 1.7 0.0 ! 1.58e+00 
assign (resid 64 and name HE1) (resid 65 and name HB#) 5.1 3.3 0.0 ! 4.26e-01 
assign (resid 65 and name HN) (resid 65 and name HG#) 5.1 3.3 0.0 ! 1.12e+00 
assign (resid 61 and name HN) (resid 66 and name HD#) 5.1 3.3 0.0 ! 7.59e-01 
assign (resid 61 and name HN) (resid 66 and name HG#) 5.1 3.3 0.0 ! 5.81e-01 
assign (resid 62 and name HN) (resid 66 and name HG#) 5.1 3.3 0.0 ! 6.00e-01 
assign (resid 65 and name HN) (resid 66 and name HG#) 5.1 3.3 0.0 ! 1.49e+00 
assign (resid 66 and name HN) (resid 65 and name HB#) 3.5 1.7 0.0 ! 1.76e+00 
assign (resid 66 and name HN) (resid 65 and name HG#) 5.1 3.3 0.0 ! 4.92e-01 
assign (resid 66 and name HE) (resid 66 and name HD#) 5.1 3.3 0.0 ! -5.80e-01 
assign (resid 66 and name HE) (resid 66 and name HG#) 3.5 1.7 0.0 ! -1.37e+00 
assign (resid 66 and name HN) (resid 66 and name HD#) 5.1 3.3 0.0 ! 2.61e-01 
assign (resid 66 and name HN) (resid 66 and name HG#) 3 1.2 0.0 ! 5.00e+00 
assign (resid 67 and name HD2#) (resid 63 and name HD11) 5.1 3.3 0.0 ! 2.49e+00 
assign (resid 67 and name HD2#) (resid 67 and name HA) 5.1 3.3 0.0 ! 4.78e-01 
assign (resid 67 and name HD2#) (resid 67 and name HB1) 3.5 1.7 0.0 ! 1.45e+00 
assign (resid 67 and name HN) (resid 67 and name HD2#) 5.1 3.3 0.0 ! 3.41e-01 
assign (resid 67 and name HN) (resid 68 and name HB#) 5.1 3.3 0.0 ! 7.85e-01 
assign (resid 68 and name HN) (resid 68 and name HG#) 3.5 1.7 0.0 ! 2.62e+00 
assign (resid 69 and name HN) (resid 58 and name HE#) 5.1 3.3 0.0 ! 6.46e-01 
assign (resid 69 and name HN) (resid 68 and name HG#) 5.1 3.3 0.0 ! 6.45e-01 
assign (resid 39 and name HN) (resid 70 and name HE#) 5.1 3.3 0.0 ! 4.23e-01 
assign (resid 70 and name HN) (resid 70 and name HE#) 5.1 3.3 0.0 ! 2.25e-01 
assign (resid 71 and name HN) (resid 71 and name HD#) 5.1 3.3 0.0 ! 1.29e+00 
assign (resid 71 and name HN) (resid 71 and name HE#) 5.1 3.3 0.0 ! 9.59e-01 
assign (resid 71 and name HN) (resid 71 and name HG#) 5.1 3.3 0.0 ! 7.71e-01 
assign (resid 72 and name HN) (resid 72 and name HB#) 3 1.2 0.0 ! 4.86e+00 
assign (resid 72 and name HN) (resid 72 and name HD#) 3.5 1.7 0.0 ! 2.77e+00 
assign (resid 72 and name HN) (resid 72 and name HE#) 3.5 1.7 0.0 ! 2.15e+00 
assign (resid 72 and name HN) (resid 72 and name HG#) 3.5 1.7 0.0 ! 2.50e+00 
assign (resid 73 and name HN) (resid 51 and name HE#) 5.1 3.3 0.0 ! 5.22e-01 
assign (resid 73 and name HN) (resid 72 and name HB#) 3 1.2 0.0 ! 3.64e+00 
assign (resid 67 and name HD2#) (resid 76 and name HZ) 5.1 3.3 0.0 ! 9.86e-01 
assign (resid 71 and name HN) (resid 76 and name HB#) 3.5 1.7 0.0 ! 1.40e+00 
assign (resid 76 and name HN) (resid 71 and name HG#) 5.1 3.3 0.0 ! 5.47e-01 
assign (resid 76 and name HN) (resid 76 and name HD#) 5.1 3.3 0.0 ! 7.35e-01 
assign (resid 37 and name HN) (resid 34 and name HB#) 5.1 3.3 0.0 ! 6.04e-01 
assign (resid 56 and name HN) (resid 55 and name HG#) 5.1 3.3 0.0 ! 5.21e-01 
assign (resid 54 and name HN) (resid 57 and name HG#) 5.1 3.3 0.0 ! 5.07e-01 
assign (resid 65 and name HN) (resid 64 and name HB#) 5.1 3.3 0.0 ! 4.53e-01 
assign (resid 67 and name HD2#) (resid 63 and name HB#) 3.5 1.7 0.0 ! 1.47e+00 
assign (resid 67 and name HD2#) (resid 64 and name HA) 3.5 1.7 0.0 ! 1.47e+00 
assign ((resid 64 and name HD1) or (resid 64 and name HZ2)) (resid 64 and name HB#) 3.5 1.7 0.0 ! 3.33e+00
assign ((resid 64 and name HD1) or (resid 64 and name HZ2)) (resid 62 and name HB1) 3.0 1.2 0.0 ! 1.29e+01
assign ((resid 64 and name HD1) or (resid 64 and name HZ2)) (resid 64 and name HA) 5.1 3.3 0.0 ! 1.23e+00
assign (resid 64 and name HE1) ((resid 64 and name HD1) or (resid 64 and name HZ2)) 3.0 1.2 0.0 ! 2.39e+01
assign (resid 64 and name HN) ((resid 64 and name HD1) or (resid 64 and name HZ2)) 3.0 1.2 0.0 ! 5.38e+00
assign ((resid 64 and name HZ2) or (resid 64 and name HD1)) (resid 64 and name HH2) 3.0 1.2 0.0 ! 1.33e+01
assign ((resid 64 and name HD1) or (resid 64 and name HZ2)) (resid 65 and name HN) 5.1 3.3 0.0 ! 1.40e+00
assign ((resid 64 and name HD1) or (resid 64 and name HZ2)) (resid 63 and name HA) 5.1 3.3 0.0 ! 1.40e+00
assign ((resid 64 and name HD1) or (resid 64 and name HZ2)) (resid 62 and name HA) 5.1 3.3 0.0 ! 1.40e+00
assign ((resid 64 and name HD1) or (resid 64 and name HZ2)) (resid 65 and name HB1) 5.1 3.3 0.0 ! 1.40e+00
assign (resid 64 and name HZ3) (resid 68 and name HG#) 5.1 3.3 0.0 ! 1.40e+00
assign (resid 64 and name HZ3) (resid 65 and name HB#) 5.1 3.3 0.0 ! 1.40e+00
assign (resid 11 and name HA) (resid 11 and name HD21) 4.8 3.0 0.0 ! 1.02e+01 
assign (resid 11 and name HN) (resid 11 and name HD21) 4.8 3.0 0.0 ! 2.55e+00 
assign (resid 12 and name HN) (resid 11 and name HA) 2.7 0.9 0.0 ! 8.49e+00 
assign (resid 12 and name HN) (resid 11 and name HD21) 4.8 3.0 0.0 ! 1.31e+00 
assign (resid 13 and name HN) (resid 12 and name HA) 2.7 0.9 0.0 ! 9.73e+00 
assign (resid 13 and name HG11) (resid 13 and name HD11) 4.8 3.0 0.0 ! 2.90e+00 
assign (resid 13 and name HB) (resid 13 and name HG12) 4.8 3.0 0.0 ! 1.65e+00 
assign (resid 13 and name HG12) (resid 13 and name HD11) 4.8 3.0 0.0 ! 2.96e+00 
assign (resid 13 and name HB) (resid 13 and name HG21) 3.2 1.4 0.0 ! 5.47e+00 
assign (resid 13 and name HG11) (resid 13 and name HG21) 4.8 3.0 0.0 ! 2.62e+00 
assign (resid 13 and name HG12) (resid 13 and name HG21) 4.8 3.0 0.0 ! 2.26e+00 
assign (resid 13 and name HN) (resid 13 and name HB) 4.8 3.0 0.0 ! 4.14e+00 
assign (resid 13 and name HN) (resid 13 and name HG21) 4.8 3.0 0.0 ! 1.92e+00 
assign (resid 16 and name HN) (resid 13 and name HG21) 4.8 3.0 0.0 ! 9.05e-01 
assign (resid 17 and name HN) (resid 15 and name HA) 4.8 3.0 0.0 ! 6.67e-01 
assign (resid 17 and name HN) (resid 16 and name HN) 4.8 3.0 0.0 ! 1.72e+00 
assign (resid 17 and name HN) (resid 17 and name HA) 2.7 0.9 0.0 ! 4.34e+00 
assign (resid 14 and name HN) (resid 19 and name HD11) 4.8 3.0 0.0 ! 7.41e-01 
assign (resid 19 and name HN) (resid 18 and name HA) 4.8 3.0 0.0 ! 2.09e+00 
assign (resid 19 and name HB2) (resid 19 and name HD11) 3.2 1.4 0.0 ! 6.29e+00 
assign (resid 19 and name HA) (resid 19 and name HD21) 3.2 1.4 0.0 ! 5.41e+00 
assign (resid 19 and name HB1) (resid 19 and name HD21) 4.8 3.0 0.0 ! 3.15e+00 
assign (resid 19 and name HD11) (resid 19 and name HD21) 4.8 3.0 0.0 ! 6.87e+00 
assign (resid 19 and name HG) (resid 19 and name HD21) 4.8 3.0 0.0 ! 3.50e+00 
assign (resid 19 and name HN) (resid 19 and name HB1) 4.8 3.0 0.0 ! 6.59e-01 
assign (resid 19 and name HN) (resid 19 and name HB2) 4.8 3.0 0.0 ! 1.91e+00 
assign (resid 19 and name HN) (resid 19 and name HD11) 4.8 3.0 0.0 ! 1.17e+00 
assign (resid 16 and name HH) (resid 20 and name HG11) 4.8 3.0 0.0 ! added manually 
assign (resid 16 and name HH) (resid 20 and name HG21) 4.8 3.0 0.0 ! added manually 
assign (resid 16 and name HH) (resid 50 and name HG11) 4.8 3.0 0.0 ! added manually 
assign (resid 17 and name HA) (resid 20 and name HG11) 4.8 3.0 0.0 ! 9.31e-01 
assign (resid 17 and name HA) (resid 20 and name HG21) 4.8 3.0 0.0 ! 4.53e+00 
assign (resid 19 and name HN) (resid 20 and name HN) 3.2 1.4 0.0 ! 2.88e+00 
assign (resid 20 and name HA) (resid 20 and name HB) 3.2 1.4 0.0 ! 2.94e+00 
assign (resid 20 and name HA) (resid 20 and name HG11) 3.2 1.4 0.0 ! 4.69e+00 
assign (resid 20 and name HB) (resid 20 and name HG11) 3.2 1.4 0.0 ! 5.05e+00 
assign (resid 20 and name HA) (resid 20 and name HG21) 3.2 1.4 0.0 ! 4.78e+00 
assign (resid 20 and name HB) (resid 20 and name HG21) 3.2 1.4 0.0 ! 5.20e+00 
assign (resid 20 and name HN) (resid 20 and name HG11) 4.8 3.0 0.0 ! 2.16e+00 
assign (resid 21 and name HN) (resid 20 and name HA) 2.7 0.9 0.0 ! 5.69e+00 
assign (resid 21 and name HN) (resid 20 and name HB) 4.8 3.0 0.0 ! 1.23e+00 
assign (resid 21 and name HB) (resid 21 and name HG21) 2.7 0.9 0.0 ! 1.37e+01 
assign (resid 21 and name HN) (resid 21 and name HB) 3.2 1.4 0.0 ! 2.46e+00 
assign (resid 22 and name HN) (resid 20 and name HG11) 4.8 3.0 0.0 ! 1.29e+00 
assign (resid 22 and name HN) (resid 21 and name HG21) 4.8 3.0 0.0 ! 2.60e+00 
assign (resid 22 and name HA) (resid 22 and name HG1) 3.2 1.4 0.0 ! 9.80e+00 
assign (resid 23 and name HN) (resid 22 and name HB) 4.8 3.0 0.0 ! 1.94e+00 
assign (resid 23 and name HN) (resid 22 and name HG1) 4.8 3.0 0.0 ! 2.12e+00 
assign (resid 23 and name HN) (resid 22 and name HN) 4.8 3.0 0.0 ! 2.07e+00 
assign (resid 25 and name HN) (resid 24 and name HA) 3.2 1.4 0.0 ! 2.79e+00 
assign (resid 27 and name HN) (resid 26 and name HA) 3.2 1.4 0.0 ! 2.77e+00 
assign (resid 27 and name HA) (resid 27 and name HB) 2.7 0.9 0.0 ! 4.86e+00 
assign (resid 27 and name HA) (resid 27 and name HG1) 2.7 0.9 0.0 ! 1.57e+01 
assign (resid 27 and name HN) (resid 27 and name HB) 3.2 1.4 0.0 ! 2.33e+00 
assign (resid 28 and name HN) (resid 27 and name HA) 2.7 0.9 0.0 ! 6.79e+00 
assign (resid 28 and name HN) (resid 27 and name HG1) 3.2 1.4 0.0 ! 2.62e+00 
assign (resid 28 and name HN) (resid 28 and name HA) 4.8 3.0 0.0 ! 1.36e+00 
assign (resid 29 and name HN) (resid 28 and name HA) 2.7 0.9 0.0 ! 1.23e+01 
assign (resid 28 and name HN) (resid 29 and name HN) 4.8 3.0 0.0 ! 1.16e+00 
assign (resid 29 and name HB2) (resid 29 and name HB1) 2.7 0.9 0.0 ! 6.29e+00 
assign (resid 29 and name HG) (resid 29 and name HB1) 3.2 1.4 0.0 ! 2.83e+00 
assign (resid 29 and name HN) (resid 29 and name HG) 3.2 1.4 0.0 ! 3.25e+00 
assign (resid 19 and name HD21) (resid 33 and name HG11) 4.8 3.0 0.0 ! 3.51e+00 
assign (resid 29 and name HD11) (resid 33 and name HG11) 4.8 3.0 0.0 ! 3.57e+00 
assign (resid 29 and name HD11) (resid 33 and name HG21) 4.8 3.0 0.0 ! 1.90e+00 
assign (resid 33 and name HA) (resid 33 and name HB) 2.7 0.9 0.0 ! 4.67e+00 
assign (resid 33 and name HA) (resid 33 and name HG11) 3.2 1.4 0.0 ! 4.74e+00 
assign (resid 33 and name HB) (resid 33 and name HG11) 4.8 3.0 0.0 ! 3.63e+00 
assign (resid 33 and name HA) (resid 33 and name HG21) 4.8 3.0 0.0 ! 3.87e+00 
assign (resid 33 and name HB) (resid 33 and name HG21) 4.8 3.0 0.0 ! 4.29e+00 
assign (resid 33 and name HG21) (resid 33 and name HG11) 3.2 1.4 0.0 ! 1.08e+01 
assign (resid 33 and name HN) (resid 33 and name HB) 2.7 0.9 0.0 ! 6.62e+00 
assign (resid 34 and name HN) (resid 33 and name HG21) 4.8 3.0 0.0 ! 9.15e-01 
assign (resid 35 and name HN) (resid 34 and name HA) 2.7 0.9 0.0 ! 8.47e+00 
assign (resid 34 and name HN) (resid 35 and name HN) 4.8 3.0 0.0 ! 6.53e-01 
assign (resid 38 and name HD21) (resid 33 and name HG11) 4.8 3.0 0.0 ! 6.09e+00 
assign (resid 35 and name HA) (resid 38 and name HD21) 4.8 3.0 0.0 ! 3.86e+00 
assign (resid 38 and name HA) (resid 38 and name HD11) 2.7 0.9 0.0 ! 8.76e+00 
assign (resid 38 and name HA) (resid 38 and name HD21) 3.2 1.4 0.0 ! 5.45e+00 
assign (resid 38 and name HD11) (resid 38 and name HD21) 3.2 1.4 0.0 ! 1.35e+01 
assign (resid 39 and name HN) (resid 38 and name HB1) 3.2 1.4 0.0 ! 2.72e+00 
assign (resid 39 and name HN) (resid 39 and name HA) 3.2 1.4 0.0 ! 2.88e+00 
assign (resid 41 and name HE1) (resid 11 and name HD11) 4.8 3.0 0.0 ! 1.86e+00 
assign (resid 41 and name HE1) (resid 11 and name HD21) 4.8 3.0 0.0 ! 2.68e+00 
assign (resid 12 and name HN) (resid 41 and name HE1) 4.8 3.0 0.0 ! 9.51e-01 
assign (resid 41 and name HD2) (resid 33 and name HA) 4.8 3.0 0.0 ! 1.83e+00 
assign (resid 41 and name HD2) (resid 33 and name HG11) 4.8 3.0 0.0 ! 2.04e+00 
assign (resid 41 and name HD2) (resid 33 and name HG21) 4.8 3.0 0.0 ! 7.65e-01 
assign (resid 41 and name HE1) (resid 33 and name HA) 2.7 0.9 0.0 ! 5.17e+00 
assign (resid 41 and name HE1) (resid 33 and name HG11) 4.8 3.0 0.0 ! 8.54e-01 
assign (resid 41 and name HE1) (resid 33 and name HG21) 4.8 3.0 0.0 ! 1.36e+00 
assign (resid 34 and name HN) (resid 41 and name HD2) 4.8 3.0 0.0 ! 8.82e-01 
assign (resid 41 and name HD2) (resid 38 and name HA) 3.2 1.4 0.0 ! 9.27e+00 
assign (resid 41 and name HD2) (resid 38 and name HB1) 4.8 3.0 0.0 ! 1.09e+00 
assign (resid 41 and name HD2) (resid 38 and name HB2) 4.8 3.0 0.0 ! 1.00e+00 
assign (resid 41 and name HD2) (resid 38 and name HD11) 4.8 3.0 0.0 ! 1.34e+00 
assign (resid 41 and name HD2) (resid 38 and name HD21) 4.8 3.0 0.0 ! 4.05e+00 
assign (resid 40 and name HN) (resid 41 and name HD2) 4.8 3.0 0.0 ! 1.08e+00 
assign (resid 41 and name HE1) (resid 41 and name HD2) 4.8 3.0 0.0 ! 7.71e-01 
assign (resid 39 and name HA) (resid 42 and name HD11) 4.8 3.0 0.0 ! 3.93e+00 
assign (resid 42 and name HB1) (resid 42 and name HD21) 4.8 3.0 0.0 ! 2.35e+00 
assign (resid 42 and name HN) (resid 42 and name HD11) 4.8 3.0 0.0 ! 1.88e+00 
assign (resid 42 and name HN) (resid 42 and name HG) 3.2 1.4 0.0 ! 3.10e+00 
assign (resid 43 and name HA) (resid 13 and name HD11) 4.8 3.0 0.0 ! 2.25e+00 
assign (resid 43 and name HA) (resid 13 and name HG21) 3.2 1.4 0.0 ! 4.83e+00 
assign (resid 43 and name HN) (resid 13 and name HD11) 4.8 3.0 0.0 ! 6.09e-01 
assign (resid 43 and name HN) (resid 42 and name HA) 2.7 0.9 0.0 ! 4.55e+00 
assign (resid 43 and name HN) (resid 42 and name HB1) 4.8 3.0 0.0 ! 8.74e-01 
assign (resid 43 and name HN) (resid 42 and name HD11) 4.8 3.0 0.0 ! 5.60e-01 
assign (resid 43 and name HA) (resid 43 and name HB2) 2.7 0.9 0.0 ! 4.09e+00 
assign (resid 43 and name HB1) (resid 43 and name HB2) 3.2 1.4 0.0 ! 3.05e+00 
assign (resid 44 and name HN) (resid 13 and name HD11) 4.8 3.0 0.0 ! 9.64e-01 
assign (resid 44 and name HN) (resid 13 and name HG21) 4.8 3.0 0.0 ! 1.56e+00 
assign (resid 44 and name HN) (resid 43 and name HA) 2.7 0.9 0.0 ! 7.54e+00 
assign (resid 44 and name HN) (resid 44 and name HA) 2.7 0.9 0.0 ! 6.67e+00 
assign (resid 44 and name HN) (resid 44 and name HB1) 2.7 0.9 0.0 ! 1.17e+01 
assign (resid 44 and name HN) (resid 45 and name HN) 3.2 1.4 0.0 ! 3.51e+00 
assign (resid 46 and name HN) (resid 45 and name HA) 4.8 3.0 0.0 ! 1.87e+00 
assign (resid 46 and name HN) (resid 45 and name HN) 3.2 1.4 0.0 ! 2.92e+00 
assign (resid 47 and name HN) (resid 42 and name HB1) 4.8 3.0 0.0 ! 1.05e+00 
assign (resid 47 and name HN) (resid 42 and name HB2) 4.8 3.0 0.0 ! 1.25e+00 
assign (resid 47 and name HN) (resid 42 and name HD11) 4.8 3.0 0.0 ! 1.05e+00 
assign (resid 47 and name HN) (resid 46 and name HN) 3.2 1.4 0.0 ! 2.55e+00 
assign (resid 48 and name HN) (resid 44 and name HA) 4.8 3.0 0.0 ! 1.72e+00 
assign (resid 48 and name HN) (resid 47 and name HA) 3.2 1.4 0.0 ! 3.01e+00 
assign (resid 47 and name HN) (resid 49 and name HN) 4.8 3.0 0.0 ! 5.95e-01 
assign (resid 42 and name HD11) (resid 50 and name HG11) 4.8 3.0 0.0 ! 1.16e+00 
assign (resid 42 and name HD11) (resid 50 and name HG21) 4.8 3.0 0.0 ! 2.56e+00 
assign (resid 42 and name HD21) (resid 50 and name HG21) 4.8 3.0 0.0 ! 2.00e+00 
assign (resid 47 and name HA) (resid 50 and name HG21) 4.8 3.0 0.0 ! 1.23e+00 
assign (resid 50 and name HA) (resid 50 and name HB) 4.8 3.0 0.0 ! 2.27e+00 
assign (resid 50 and name HA) (resid 50 and name HG11) 3.2 1.4 0.0 ! 5.33e+00 
assign (resid 50 and name HB) (resid 50 and name HG11) 4.8 3.0 0.0 ! 4.53e+00 
assign (resid 50 and name HA) (resid 50 and name HG21) 3.2 1.4 0.0 ! 6.55e+00 
assign (resid 50 and name HB) (resid 50 and name HG21) 3.2 1.4 0.0 ! 4.59e+00 
assign (resid 50 and name HG21) (resid 50 and name HG11) 3.2 1.4 0.0 ! 1.22e+01 
assign (resid 50 and name HN) (resid 50 and name HB) 3.2 1.4 0.0 ! 3.43e+00 
assign (resid 50 and name HN) (resid 50 and name HG11) 4.8 3.0 0.0 ! 2.34e+00 
assign (resid 50 and name HN) (resid 50 and name HG21) 3.2 1.4 0.0 ! 6.11e+00 
assign (resid 51 and name HN) (resid 47 and name HA) 4.8 3.0 0.0 ! 8.59e-01 
assign (resid 51 and name HN) (resid 50 and name HG21) 4.8 3.0 0.0 ! 1.39e+00 
assign (resid 51 and name HN) (resid 50 and name HN) 2.7 0.9 0.0 ! 5.21e+00 
assign (resid 51 and name HZ) (resid 50 and name HG11) 4.8 3.0 0.0 ! 9.97e-01 
assign (resid 52 and name HA) (resid 52 and name HB1) 2.7 0.9 0.0 ! 1.05e+01 
assign (resid 52 and name HN) (resid 52 and name HA) 2.7 0.9 0.0 ! 6.92e+00 
assign (resid 53 and name HN) (resid 48 and name HA) 4.8 3.0 0.0 ! 2.23e+00 
assign (resid 53 and name HN) (resid 52 and name HA) 4.8 3.0 0.0 ! 1.97e+00 
assign (resid 54 and name HN) (resid 53 and name HA) 2.7 0.9 0.0 ! 4.21e+00 
assign (resid 54 and name HN) (resid 54 and name HB2) 4.8 3.0 0.0 ! 1.62e+00 
assign (resid 47 and name HZ) (resid 55 and name HA) 4.8 3.0 0.0 ! 2.10e+00 
assign (resid 56 and name HN) (resid 55 and name HA) 3.2 1.4 0.0 ! 2.92e+00 
assign (resid 56 and name HA) (resid 56 and name HB1) 3.2 1.4 0.0 ! 2.85e+00 
assign (resid 56 and name HA) (resid 56 and name HB2) 2.7 0.9 0.0 ! 4.08e+00 
assign (resid 56 and name HN) (resid 56 and name HB1) 2.7 0.9 0.0 ! 4.50e+00 
assign (resid 56 and name HN) (resid 56 and name HB2) 3.2 1.4 0.0 ! 3.11e+00 
assign (resid 54 and name HN) (resid 57 and name HB2) 4.8 3.0 0.0 ! 1.14e+00 
assign (resid 54 and name HN) (resid 57 and name HN) 4.8 3.0 0.0 ! 6.40e-01 
assign (resid 57 and name HN) (resid 56 and name HB1) 4.8 3.0 0.0 ! 1.84e+00 
assign (resid 57 and name HN) (resid 57 and name HA) 2.7 0.9 0.0 ! 3.89e+00 
assign (resid 57 and name HN) (resid 57 and name HB1) 3.2 1.4 0.0 ! 3.04e+00 
assign (resid 58 and name HN) (resid 47 and name HZ) 4.8 3.0 0.0 ! 8.43e-01 
assign (resid 58 and name HN) (resid 57 and name HN) 2.7 0.9 0.0 ! 6.33e+00 
assign (resid 59 and name HN) (resid 58 and name HA) 4.8 3.0 0.0 ! 1.86e+00 
assign (resid 60 and name HN) (resid 57 and name HA) 4.8 3.0 0.0 ! 4.57e+00 
assign (resid 59 and name HN) (resid 60 and name HN) 3.2 1.4 0.0 ! 2.45e+00 
assign (resid 60 and name HN) (resid 60 and name HA) 2.7 0.9 0.0 ! 4.45e+00 
assign (resid 53 and name HE1) (resid 61 and name HD11) 4.8 3.0 0.0 ! 8.05e+00 
assign (resid 58 and name HA) (resid 61 and name HD11) 4.8 3.0 0.0 ! 4.22e+00 
assign (resid 61 and name HN) (resid 60 and name HA) 3.2 1.4 0.0 ! 2.99e+00 
assign (resid 61 and name HA) (resid 61 and name HB1) 2.7 0.9 0.0 ! 1.01e+01 
assign (resid 61 and name HD21) (resid 61 and name HD11) 2.7 0.9 0.0 ! 1.80e+01 
assign (resid 61 and name HG) (resid 61 and name HD11) 4.8 3.0 0.0 ! 4.05e+00 
assign (resid 61 and name HG) (resid 61 and name HD21) 3.2 1.4 0.0 ! 4.70e+00 
assign (resid 61 and name HN) (resid 61 and name HB1) 4.8 3.0 0.0 ! 1.68e+00 
assign (resid 61 and name HN) (resid 61 and name HB2) 3.2 1.4 0.0 ! 3.61e+00 
assign (resid 61 and name HN) (resid 61 and name HD11) 4.8 3.0 0.0 ! 2.16e+00 
assign (resid 61 and name HN) (resid 61 and name HD21) 4.8 3.0 0.0 ! 2.38e+00 
assign (resid 61 and name HN) (resid 61 and name HG) 2.7 0.9 0.0 ! 4.03e+00 
assign (resid 62 and name HN) (resid 61 and name HA) 2.7 0.9 0.0 ! 1.28e+01 
assign (resid 63 and name HN) (resid 62 and name HN) 4.8 3.0 0.0 ! 6.34e-01 
assign (resid 63 and name HA) (resid 63 and name HD11) 3.2 1.4 0.0 ! 6.51e+00 
assign (resid 63 and name HG) (resid 63 and name HD11) 2.7 0.9 0.0 ! 1.31e+01 
assign (resid 63 and name HN) (resid 63 and name HA) 3.2 1.4 0.0 ! 2.69e+00 
assign (resid 63 and name HN) (resid 63 and name HD11) 4.8 3.0 0.0 ! 3.15e+00 
assign (resid 64 and name HE1) (resid 62 and name HN) 4.8 3.0 0.0 ! 6.12e-01 
assign (resid 64 and name HE3) (resid 62 and name HB1) 4.8 3.0 0.0 ! 1.38e+00 
assign (resid 64 and name HN) (resid 64 and name HA) 2.7 0.9 0.0 ! 4.17e+00 
assign (resid 64 and name HE1) (resid 64 and name HN) 4.8 3.0 0.0 ! 8.11e-01 
assign (resid 64 and name HN) (resid 64 and name HE3) 4.8 3.0 0.0 ! 1.15e+00 
assign (resid 64 and name HN) (resid 65 and name HN) 3.2 1.4 0.0 ! 2.48e+00 
assign (resid 58 and name HZ) (resid 66 and name HA) 4.8 3.0 0.0 ! 1.18e+00 
assign (resid 58 and name HZ) (resid 66 and name HB1) 4.8 3.0 0.0 ! 1.24e+00 
assign (resid 58 and name HZ) (resid 66 and name HB2) 4.8 3.0 0.0 ! 9.95e-01 
assign (resid 66 and name HA) (resid 61 and name HD11) 4.8 3.0 0.0 ! 6.98e-01 
assign (resid 63 and name HA) (resid 66 and name HB2) 3.2 1.4 0.0 ! 2.51e+00 
assign (resid 66 and name HN) (resid 65 and name HN) 2.7 0.9 0.0 ! 4.10e+00 
assign (resid 66 and name HA) (resid 66 and name HB2) 4.8 3.0 0.0 ! 1.04e+00 
assign (resid 66 and name HN) (resid 66 and name HB1) 4.8 3.0 0.0 ! 9.91e-01 
assign (resid 67 and name HN) (resid 66 and name HA) 4.8 3.0 0.0 ! 1.08e+00 
assign (resid 67 and name HN) (resid 66 and name HN) 3.2 1.4 0.0 ! 3.14e+00 
assign (resid 67 and name HB1) (resid 67 and name HB2) 2.7 0.9 0.0 ! 4.96e+00 
assign (resid 67 and name HN) (resid 67 and name HB1) 3.2 1.4 0.0 ! 3.12e+00 
assign (resid 67 and name HN) (resid 67 and name HB2) 4.8 3.0 0.0 ! 2.02e+00 
assign (resid 67 and name HN) (resid 68 and name HN) 3.2 1.4 0.0 ! 3.80e+00 
assign (resid 53 and name HE1) (resid 69 and name HD11) 4.8 3.0 0.0 ! 1.03e+01 
assign (resid 53 and name HE1) (resid 69 and name HD21) 4.8 3.0 0.0 ! 3.45e+00 
assign (resid 69 and name HD11) (resid 61 and name HD11) 4.8 3.0 0.0 ! 5.94e+00 
assign (resid 69 and name HN) (resid 68 and name HN) 3.2 1.4 0.0 ! 3.84e+00 
assign (resid 69 and name HB2) (resid 69 and name HB1) 3.2 1.4 0.0 ! 3.51e+00 
assign (resid 69 and name HN) (resid 69 and name HA) 3.2 1.4 0.0 ! 2.99e+00 
assign (resid 69 and name HN) (resid 69 and name HB1) 4.8 3.0 0.0 ! 2.18e+00 
assign (resid 69 and name HN) (resid 69 and name HB2) 2.7 0.9 0.0 ! 4.70e+00 
assign (resid 69 and name HN) (resid 69 and name HD11) 4.8 3.0 0.0 ! 2.92e+00 
assign (resid 69 and name HN) (resid 69 and name HD21) 4.8 3.0 0.0 ! 2.22e+00 
assign (resid 70 and name HN) (resid 58 and name HZ) 4.8 3.0 0.0 ! 1.08e+00 
assign (resid 70 and name HN) (resid 66 and name HE) 4.8 3.0 0.0 ! 9.84e-01 
assign (resid 70 and name HN) (resid 67 and name HN) 4.8 3.0 0.0 ! 5.51e-01 
assign (resid 70 and name HN) (resid 69 and name HB2) 4.8 3.0 0.0 ! 1.98e+00 
assign (resid 70 and name HN) (resid 69 and name HN) 3.2 1.4 0.0 ! 3.04e+00 
assign (resid 71 and name HN) (resid 68 and name HA) 4.8 3.0 0.0 ! 1.94e+00 
assign (resid 71 and name HN) (resid 69 and name HN) 4.8 3.0 0.0 ! 6.57e-01 
assign (resid 72 and name HN) (resid 69 and name HA) 3.2 1.4 0.0 ! 3.17e+00 
assign (resid 71 and name HN) (resid 72 and name HN) 2.7 0.9 0.0 ! 4.09e+00 
assign (resid 72 and name HN) (resid 72 and name HA) 2.7 0.9 0.0 ! 5.04e+00 
assign (resid 73 and name HB1) (resid 50 and name HG11) 4.8 3.0 0.0 ! 7.21e+00 
assign (resid 73 and name HN) (resid 69 and name HA) 4.8 3.0 0.0 ! 1.27e+00 
assign (resid 73 and name HA) (resid 73 and name HB1) 3.2 1.4 0.0 ! 6.87e+00 
assign (resid 74 and name HN) (resid 73 and name HA) 4.8 3.0 0.0 ! 1.36e+00 
assign (resid 74 and name HN) (resid 73 and name HB1) 4.8 3.0 0.0 ! 2.44e+00 
assign (resid 74 and name HN) (resid 73 and name HN) 2.7 0.9 0.0 ! 3.97e+00 
assign (resid 74 and name HN) (resid 74 and name HA) 2.7 0.9 0.0 ! 5.96e+00 
assign (resid 75 and name HD11) (resid 50 and name HG11) 4.8 3.0 0.0 ! 2.85e+00 
assign (resid 75 and name HD11) (resid 50 and name HG21) 4.8 3.0 0.0 ! 2.66e+00 
assign (resid 51 and name HZ) (resid 75 and name HB2) 4.8 3.0 0.0 ! 1.76e+00 
assign (resid 51 and name HZ) (resid 75 and name HD11) 3.2 1.4 0.0 ! 5.60e+00 
assign (resid 51 and name HZ) (resid 75 and name HD21) 4.8 3.0 0.0 ! 2.00e+00 
assign (resid 75 and name HN) (resid 71 and name HA) 4.8 3.0 0.0 ! 1.04e+00 
assign (resid 75 and name HN) (resid 73 and name HN) 4.8 3.0 0.0 ! 8.47e-01 
assign (resid 75 and name HN) (resid 74 and name HN) 3.2 1.4 0.0 ! 2.54e+00 
assign (resid 75 and name HB2) (resid 75 and name HD21) 4.8 3.0 0.0 ! 7.59e+00 
assign (resid 75 and name HG) (resid 75 and name HD21) 4.8 3.0 0.0 ! 3.99e+00 
assign (resid 75 and name HN) (resid 75 and name HB1) 4.8 3.0 0.0 ! 1.54e+00 
assign (resid 75 and name HN) (resid 75 and name HD11) 4.8 3.0 0.0 ! 1.68e+00 
assign (resid 75 and name HN) (resid 75 and name HD21) 4.8 3.0 0.0 ! 1.23e+00 
assign (resid 75 and name HN) (resid 75 and name HG) 4.8 3.0 0.0 ! 9.39e-01 
assign (resid 76 and name HZ) (resid 67 and name HB1) 4.8 3.0 0.0 ! 9.07e-01 
assign (resid 76 and name HZ) (resid 67 and name HB2) 4.8 3.0 0.0 ! 1.38e+00 
assign (resid 76 and name HN) (resid 75 and name HD21) 4.8 3.0 0.0 ! 1.51e+00 
assign (resid 13 and name HA) (resid 13 and name HB) 4.8 3.0 0.0 ! 1.07e+00 
assign (resid 13 and name HA) (resid 13 and name HD11) 3.2 1.4 0.0 ! 2.67e+00 
assign (resid 13 and name HA) (resid 13 and name HG11) 4.8 3.0 0.0 ! 7.20e-01 
assign (resid 13 and name HA) (resid 13 and name HG12) 4.8 3.0 0.0 ! 8.93e-01 
assign (resid 13 and name HA) (resid 13 and name HG21) 2.7 0.9 0.0 ! 3.75e+00 
assign (resid 16 and name HA) (resid 19 and name HD11) 3.2 1.4 0.0 ! 2.83e+00 
assign (resid 22 and name HA) (resid 22 and name HB) 2.7 0.9 0.0 ! 2.40e+01 
assign (resid 11 and name HD21) (resid 33 and name HG11) 4.8 3.0 0.0 ! 1.86e+00 
assign (resid 11 and name HD21) (resid 33 and name HG21) 4.8 3.0 0.0 ! 1.86e+00 
assign (resid 19 and name HD21) (resid 33 and name HG21) 4.8 3.0 0.0 ! 2.17e+00 
assign (resid 38 and name HA) (resid 33 and name HG11) 4.8 3.0 0.0 ! 6.65e-01 
assign (resid 41 and name HA) (resid 11 and name HD11) 4.8 3.0 0.0 ! 4.45e-01 
assign (resid 41 and name HE1) (resid 11 and name HG) 4.8 3.0 0.0 ! 5.69e-01 
assign (resid 41 and name HA) (resid 13 and name HD11) 4.8 3.0 0.0 ! 1.57e+00 
assign (resid 41 and name HA) (resid 13 and name HG21) 4.8 3.0 0.0 ! 6.78e-01 
assign (resid 41 and name HA) (resid 19 and name HD11) 4.8 3.0 0.0 ! 3.79e-01 
assign (resid 41 and name HD2) (resid 19 and name HD21) 4.8 3.0 0.0 ! 1.09e+00 
assign (resid 41 and name HE1) (resid 33 and name HB) 4.8 3.0 0.0 ! 6.89e-01 
assign (resid 41 and name HD2) (resid 41 and name HA) 4.8 3.0 0.0 ! 7.11e-01 
assign (resid 42 and name HA) (resid 13 and name HD11) 4.8 3.0 0.0 ! 3.67e-01 
assign (resid 42 and name HA) (resid 13 and name HG21) 4.8 3.0 0.0 ! 8.21e-01 
assign (resid 42 and name HA) (resid 19 and name HD11) 4.8 3.0 0.0 ! 6.94e-01 
assign (resid 42 and name HA) (resid 42 and name HB1) 2.7 0.9 0.0 ! 1.98e+00 
assign (resid 42 and name HA) (resid 42 and name HB2) 3.2 1.4 0.0 ! 1.12e+00 
assign (resid 42 and name HA) (resid 42 and name HD11) 4.8 3.0 0.0 ! 5.55e-01 
assign (resid 42 and name HA) (resid 42 and name HD21) 2.7 0.9 0.0 ! 5.31e+00 
assign (resid 42 and name HA) (resid 42 and name HG) 4.8 3.0 0.0 ! 9.17e-01 
assign (resid 43 and name HB1) (resid 13 and name HG21) 4.8 3.0 0.0 ! 1.97e+00 
assign (resid 43 and name HB2) (resid 13 and name HG21) 3.2 1.4 0.0 ! 2.81e+00 
assign (resid 43 and name HB1) (resid 43 and name HA) 2.7 0.9 0.0 ! 5.10e+00 
assign (resid 46 and name HA) (resid 42 and name HD21) 4.8 3.0 0.0 ! 6.17e-01 
assign (resid 47 and name HA) (resid 42 and name HD11) 2.7 0.9 0.0 ! 4.97e+00 
assign (resid 46 and name HA) (resid 50 and name HG21) 4.8 3.0 0.0 ! 6.88e-01 
assign (resid 47 and name HA) (resid 50 and name HG11) 4.8 3.0 0.0 ! 3.38e-01 
assign (resid 51 and name HA) (resid 50 and name HG11) 4.8 3.0 0.0 ! 5.48e-01 
assign (resid 53 and name HA) (resid 53 and name HE1) 4.8 3.0 0.0 ! 1.55e+00 
assign (resid 54 and name HA) (resid 54 and name HB1) 2.7 0.9 0.0 ! 5.84e+00 
assign (resid 54 and name HA) (resid 54 and name HB2) 2.7 0.9 0.0 ! 5.48e+00 
assign (resid 57 and name HA) (resid 57 and name HB2) 3.2 1.4 0.0 ! 1.75e+00 
assign (resid 47 and name HZ) (resid 58 and name HA) 4.8 3.0 0.0 ! 5.18e-01 
assign (resid 59 and name HN) (resid 56 and name HA) 2.7 0.9 0.0 ! 2.34e+00 
assign (resid 60 and name HN) (resid 56 and name HA) 4.8 3.0 0.0 ! 2.79e+00 
assign (resid 47 and name HZ) (resid 61 and name HD11) 4.8 3.0 0.0 ! 2.65e-01 
assign (resid 64 and name HA) (resid 63 and name HD11) 4.8 3.0 0.0 ! 7.26e-01 
assign (resid 66 and name HA) (resid 61 and name HB2) 4.8 3.0 0.0 ! 3.98e-01 
assign (resid 66 and name HA) (resid 66 and name HB1) 3.2 1.4 0.0 ! 1.38e+00 
assign (resid 64 and name HA) (resid 67 and name HB2) 3.2 1.4 0.0 ! 1.14e+00 
assign (resid 67 and name HA) (resid 67 and name HB1) 3.2 1.4 0.0 ! 1.45e+00 
assign (resid 67 and name HA) (resid 67 and name HB2) 3.2 1.4 0.0 ! 1.20e+00 
assign (resid 58 and name HZ) (resid 69 and name HB2) 4.8 3.0 0.0 ! 6.37e-01 
assign (resid 66 and name HA) (resid 69 and name HB2) 4.8 3.0 0.0 ! 7.59e-01 
assign (resid 69 and name HA) (resid 69 and name HB2) 3.2 1.4 0.0 ! 1.61e+00 
assign (resid 69 and name HB2) (resid 69 and name HD11) 3.2 1.4 0.0 ! 2.94e+00 
assign (resid 51 and name HZ) (resid 70 and name HA) 3.2 1.4 0.0 ! 1.53e+00 
assign (resid 58 and name HZ) (resid 70 and name HA) 4.8 3.0 0.0 ! 3.67e-01 
assign (resid 67 and name HA) (resid 70 and name HB1) 3.2 1.4 0.0 ! 1.42e+00 
assign (resid 67 and name HA) (resid 70 and name HB2) 4.8 3.0 0.0 ! 1.13e+00 
assign (resid 73 and name HA) (resid 50 and name HG11) 4.8 3.0 0.0 ! 8.75e-01 
assign (resid 75 and name HA) (resid 75 and name HD21) 2.7 0.9 0.0 ! 6.58e+00 
assign (resid 76 and name HZ) (resid 67 and name HA) 4.8 3.0 0.0 ! 3.34e-01 
assign (resid 11 and name HN) (resid 10 and name HN) 4.8 3.0 0.0 ! 1.15e+00 
assign (resid 11 and name HN) (resid 11 and name HA) 2.7 0.9 0.0 ! 2.64e+01 
assign (resid 11 and name HN) (resid 11 and name HD11) 2.7 0.9 0.0 ! 1.40e+01 
assign (resid 11 and name HN) (resid 11 and name HG) 2.7 0.9 0.0 ! 9.15e+00 
assign (resid 12 and name HN) (resid 12 and name HA) 2.7 0.9 0.0 ! 8.03e+00 
assign (resid 13 and name HN) (resid 12 and name HN) 4.8 3.0 0.0 ! 5.58e-01 
assign (resid 13 and name HN) (resid 13 and name HA) 3.2 1.4 0.0 ! 1.59e+00 
assign (resid 13 and name HN) (resid 13 and name HD11) 4.8 3.0 0.0 ! 9.70e-01 
assign (resid 13 and name HN) (resid 13 and name HG11) 3.2 1.4 0.0 ! 1.41e+00 
assign (resid 13 and name HN) (resid 13 and name HG12) 3.2 1.4 0.0 ! 2.27e+00 
assign (resid 14 and name HN) (resid 13 and name HA) 2.7 0.9 0.0 ! 4.72e+00 
assign (resid 14 and name HN) (resid 13 and name HB) 4.8 3.0 0.0 ! 6.66e-01 
assign (resid 14 and name HN) (resid 13 and name HD11) 4.8 3.0 0.0 ! 1.04e+00 
assign (resid 14 and name HN) (resid 13 and name HG21) 3.2 1.4 0.0 ! 2.93e+00 
assign (resid 14 and name HN) (resid 13 and name HN) 4.8 3.0 0.0 ! 4.31e-01 
assign (resid 14 and name HN) (resid 14 and name HA) 3.2 1.4 0.0 ! 1.59e+00 
assign (resid 16 and name HN) (resid 15 and name HA) 2.7 0.9 0.0 ! 7.56e+00 
assign (resid 16 and name HN) (resid 16 and name HA) 2.7 0.9 0.0 ! 9.27e+00 
assign (resid 17 and name HN) (resid 16 and name HA) 3.2 1.4 0.0 ! 1.75e+00 
assign (resid 18 and name HN) (resid 17 and name HA) 4.8 3.0 0.0 ! 6.89e-01 
assign (resid 17 and name HN) (resid 18 and name HN) 2.7 0.9 0.0 ! 3.90e+00 
assign (resid 18 and name HN) (resid 18 and name HA) 2.7 0.9 0.0 ! 3.18e+00 
assign (resid 19 and name HN) (resid 17 and name HA) 4.8 3.0 0.0 ! 4.22e-01 
assign (resid 19 and name HN) (resid 17 and name HN) 4.8 3.0 0.0 ! 2.95e-01 
assign (resid 18 and name HN) (resid 19 and name HB2) 4.8 3.0 0.0 ! 5.76e-01 
assign (resid 18 and name HN) (resid 19 and name HG) 4.8 3.0 0.0 ! 6.60e-01 
assign (resid 19 and name HN) (resid 19 and name HA) 4.8 3.0 0.0 ! 1.22e+00 
assign (resid 19 and name HN) (resid 19 and name HD21) 4.8 3.0 0.0 ! 1.29e+00 
assign (resid 19 and name HN) (resid 19 and name HG) 3.2 1.4 0.0 ! 2.68e+00 
assign (resid 17 and name HN) (resid 20 and name HB) 4.8 3.0 0.0 ! 5.81e-01 
assign (resid 20 and name HN) (resid 17 and name HA) 4.8 3.0 0.0 ! 6.07e-01 
assign (resid 18 and name HN) (resid 20 and name HN) 4.8 3.0 0.0 ! 5.97e-01 
assign (resid 19 and name HN) (resid 20 and name HA) 4.8 3.0 0.0 ! 3.48e-01 
assign (resid 20 and name HN) (resid 19 and name HA) 4.8 3.0 0.0 ! 8.08e-01 
assign (resid 20 and name HN) (resid 19 and name HN) 3.2 1.4 0.0 ! 2.74e+00 
assign (resid 20 and name HN) (resid 20 and name HA) 3.2 1.4 0.0 ! 1.49e+00 
assign (resid 20 and name HN) (resid 20 and name HB) 3.2 1.4 0.0 ! 2.80e+00 
assign (resid 20 and name HN) (resid 20 and name HG21) 4.8 3.0 0.0 ! 2.45e+00 
assign (resid 21 and name HN) (resid 20 and name HG11) 4.8 3.0 0.0 ! 1.23e+00 
assign (resid 21 and name HN) (resid 20 and name HG21) 4.8 3.0 0.0 ! 1.01e+00 
assign (resid 21 and name HN) (resid 20 and name HN) 4.8 3.0 0.0 ! 5.50e-01 
assign (resid 21 and name HN) (resid 21 and name HA) 2.7 0.9 0.0 ! 3.24e+00 
assign (resid 21 and name HN) (resid 21 and name HG21) 3.2 1.4 0.0 ! 5.53e+00 
assign (resid 22 and name HN) (resid 21 and name HA) 2.7 0.9 0.0 ! 6.35e+00 
assign (resid 22 and name HN) (resid 21 and name HB) 4.8 3.0 0.0 ! 1.50e+00 
assign (resid 22 and name HN) (resid 21 and name HG11) 3.2 1.4 0.0 ! 3.04e+00 
assign (resid 21 and name HN) (resid 22 and name HN) 4.8 3.0 0.0 ! 6.30e-01 
assign (resid 22 and name HN) (resid 22 and name HA) 2.7 0.9 0.0 ! 7.65e+00 
assign (resid 22 and name HN) (resid 22 and name HB) 3.2 1.4 0.0 ! 2.69e+00 
assign (resid 22 and name HN) (resid 22 and name HG1) 2.7 0.9 0.0 ! 1.04e+01 
assign (resid 23 and name HN) (resid 22 and name HA) 3.2 1.4 0.0 ! 2.32e+00 
assign (resid 23 and name HN) (resid 23 and name HA) 2.7 0.9 0.0 ! 8.06e+00 
assign (resid 24 and name HN) (resid 23 and name HA) 3.2 1.4 0.0 ! 2.50e+00 
assign (resid 24 and name HN) (resid 24 and name HA) 2.7 0.9 0.0 ! 6.59e+00 
assign (resid 26 and name HN) (resid 26 and name HA) 2.7 0.9 0.0 ! 5.43e+00 
assign (resid 26 and name HN) (resid 27 and name HN) 4.8 3.0 0.0 ! 8.61e-01 
assign (resid 27 and name HN) (resid 27 and name HA) 2.7 0.9 0.0 ! 1.02e+01 
assign (resid 27 and name HN) (resid 27 and name HG1) 4.8 3.0 0.0 ! 2.25e+01 
assign (resid 28 and name HN) (resid 27 and name HB) 3.2 1.4 0.0 ! 2.28e+00 
assign (resid 27 and name HN) (resid 28 and name HN) 4.8 3.0 0.0 ! 1.15e+00 
assign (resid 29 and name HN) (resid 29 and name HA) 2.7 0.9 0.0 ! 4.32e+00 
assign (resid 29 and name HN) (resid 29 and name HB1) 4.8 3.0 0.0 ! 9.98e-01 
assign (resid 29 and name HN) (resid 29 and name HB2) 3.2 1.4 0.0 ! 1.47e+00 
assign (resid 29 and name HN) (resid 29 and name HD11) 4.8 3.0 0.0 ! 5.84e-01 
assign (resid 32 and name HN) (resid 31 and name HA) 2.7 0.9 0.0 ! 5.38e+00 
assign (resid 33 and name HN) (resid 31 and name HA) 4.8 3.0 0.0 ! 1.08e+00 
assign (resid 32 and name HN) (resid 33 and name HN) 3.2 1.4 0.0 ! 2.06e+00 
assign (resid 33 and name HN) (resid 33 and name HA) 2.7 0.9 0.0 ! 6.29e+00 
assign (resid 33 and name HN) (resid 33 and name HG11) 4.8 3.0 0.0 ! 3.17e+00 
assign (resid 33 and name HN) (resid 33 and name HG21) 3.2 1.4 0.0 ! 3.24e+00 
assign (resid 33 and name HN) (resid 34 and name HA) 4.8 3.0 0.0 ! 2.98e-01 
assign (resid 34 and name HN) (resid 33 and name HA) 2.7 0.9 0.0 ! 6.71e+00 
assign (resid 34 and name HN) (resid 33 and name HG11) 4.8 3.0 0.0 ! 1.79e+00 
assign (resid 34 and name HN) (resid 33 and name HN) 4.8 3.0 0.0 ! 6.72e-01 
assign (resid 34 and name HN) (resid 34 and name HA) 3.2 1.4 0.0 ! 1.41e+00 
assign (resid 35 and name HN) (resid 33 and name HG11) 4.8 3.0 0.0 ! 4.75e-01 
assign (resid 35 and name HN) (resid 35 and name HA) 3.2 1.4 0.0 ! 2.29e+00 
assign (resid 36 and name HN) (resid 35 and name HA) 4.8 3.0 0.0 ! 7.07e-01 
assign (resid 36 and name HN) (resid 36 and name HA) 2.7 0.9 0.0 ! 3.74e+00 
assign (resid 36 and name HN) (resid 36 and name HE1) 4.8 3.0 0.0 ! 8.07e-01 
assign (resid 36 and name HN) (resid 37 and name HN) 2.7 0.9 0.0 ! 3.79e+00 
assign (resid 37 and name HN) (resid 37 and name HA) 3.2 1.4 0.0 ! 1.97e+00 
assign (resid 34 and name HN) (resid 38 and name HD21) 4.8 3.0 0.0 ! 4.97e-01 
assign (resid 37 and name HN) (resid 38 and name HD11) 4.8 3.0 0.0 ! 6.94e-01 
assign (resid 37 and name HN) (resid 38 and name HD21) 4.8 3.0 0.0 ! 5.06e-01 
assign (resid 38 and name HN) (resid 37 and name HA) 3.2 1.4 0.0 ! 2.03e+00 
assign (resid 38 and name HN) (resid 38 and name HA) 4.8 3.0 0.0 ! 5.96e-01 
assign (resid 38 and name HN) (resid 38 and name HB1) 3.2 1.4 0.0 ! 5.24e+00 
assign (resid 38 and name HN) (resid 38 and name HB2) 3.2 1.4 0.0 ! 2.44e+00 
assign (resid 38 and name HN) (resid 38 and name HD11) 4.8 3.0 0.0 ! 2.01e+00 
assign (resid 38 and name HN) (resid 38 and name HD21) 3.2 1.4 0.0 ! 2.67e+00 
assign (resid 39 and name HN) (resid 38 and name HB2) 4.8 3.0 0.0 ! 1.29e+00 
assign (resid 39 and name HN) (resid 38 and name HD11) 4.8 3.0 0.0 ! 1.04e+00 
assign (resid 39 and name HN) (resid 38 and name HN) 3.2 1.4 0.0 ! 1.75e+00 
assign (resid 39 and name HN) (resid 39 and name HA) 3.2 1.4 0.0 ! 1.94e+00 
assign (resid 40 and name HN) (resid 11 and name HD11) 4.8 3.0 0.0 ! 3.91e-01 
assign (resid 39 and name HN) (resid 40 and name HN) 2.7 0.9 0.0 ! 4.15e+00 
assign (resid 40 and name HN) (resid 40 and name HA) 2.7 0.9 0.0 ! 5.51e+00 
assign (resid 14 and name HN) (resid 41 and name HA) 4.8 3.0 0.0 ! 5.45e-01 
assign (resid 34 and name HN) (resid 41 and name HE1) 4.8 3.0 0.0 ! 7.35e-01 
assign (resid 41 and name HN) (resid 40 and name HA) 3.2 1.4 0.0 ! 1.51e+00 
assign (resid 41 and name HN) (resid 41 and name HD2) 3.2 1.4 0.0 ! 1.33e+00 
assign (resid 42 and name HN) (resid 13 and name HD11) 4.8 3.0 0.0 ! 3.36e-01 
assign (resid 40 and name HN) (resid 42 and name HN) 4.8 3.0 0.0 ! 5.67e-01 
assign (resid 41 and name HN) (resid 42 and name HG) 4.8 3.0 0.0 ! 5.94e-01 
assign (resid 41 and name HN) (resid 42 and name HN) 2.7 0.9 0.0 ! 3.02e+00 
assign (resid 42 and name HN) (resid 42 and name HA) 3.2 1.4 0.0 ! 1.43e+00 
assign (resid 42 and name HN) (resid 42 and name HB1) 3.2 1.4 0.0 ! 1.69e+00 
assign (resid 42 and name HN) (resid 42 and name HB2) 3.2 1.4 0.0 ! 2.02e+00 
assign (resid 42 and name HN) (resid 42 and name HD21) 4.8 3.0 0.0 ! 1.16e+00 
assign (resid 43 and name HN) (resid 13 and name HG21) 4.8 3.0 0.0 ! 2.39e+00 
assign (resid 43 and name HN) (resid 42 and name HB2) 4.8 3.0 0.0 ! 8.80e-01 
assign (resid 43 and name HN) (resid 42 and name HD21) 4.8 3.0 0.0 ! 1.62e+00 
assign (resid 43 and name HN) (resid 42 and name HN) 4.8 3.0 0.0 ! 3.45e-01 
assign (resid 43 and name HN) (resid 43 and name HA) 4.8 3.0 0.0 ! 8.51e-01 
assign (resid 43 and name HN) (resid 43 and name HB1) 3.2 1.4 0.0 ! 1.40e+00 
assign (resid 43 and name HN) (resid 43 and name HB2) 3.2 1.4 0.0 ! 1.50e+00 
assign (resid 44 and name HN) (resid 13 and name HG11) 4.8 3.0 0.0 ! 8.17e-01 
assign (resid 44 and name HN) (resid 43 and name HB1) 2.7 0.9 0.0 ! 4.65e+00 
assign (resid 45 and name HN) (resid 43 and name HA) 4.8 3.0 0.0 ! 1.09e+00 
assign (resid 45 and name HN) (resid 43 and name HB1) 3.2 1.4 0.0 ! 1.54e+00 
assign (resid 45 and name HN) (resid 44 and name HB1) 2.7 0.9 0.0 ! 8.05e+00 
assign (resid 45 and name HN) (resid 44 and name HN) 2.7 0.9 0.0 ! 3.77e+00 
assign (resid 45 and name HN) (resid 45 and name HA) 2.7 0.9 0.0 ! 8.84e+00 
assign (resid 46 and name HN) (resid 42 and name HD11) 4.8 3.0 0.0 ! 3.11e-01 
assign (resid 46 and name HN) (resid 42 and name HD21) 4.8 3.0 0.0 ! 4.74e-01 
assign (resid 46 and name HN) (resid 43 and name HA) 4.8 3.0 0.0 ! 4.64e-01 
assign (resid 46 and name HN) (resid 43 and name HB1) 4.8 3.0 0.0 ! 9.15e-01 
assign (resid 46 and name HN) (resid 44 and name HN) 4.8 3.0 0.0 ! 5.10e-01 
assign (resid 45 and name HN) (resid 46 and name HA) 4.8 3.0 0.0 ! 3.92e-01 
assign (resid 45 and name HN) (resid 46 and name HN) 2.7 0.9 0.0 ! 2.91e+00 
assign (resid 46 and name HN) (resid 46 and name HA) 2.7 0.9 0.0 ! 4.13e+00 
assign (resid 47 and name HN) (resid 42 and name HA) 4.8 3.0 0.0 ! 3.01e-01 
assign (resid 47 and name HN) (resid 42 and name HD21) 4.8 3.0 0.0 ! 1.45e+00 
assign (resid 47 and name HN) (resid 44 and name HA) 3.2 1.4 0.0 ! 2.91e+00 
assign (resid 47 and name HN) (resid 45 and name HN) 4.8 3.0 0.0 ! 4.80e-01 
assign (resid 47 and name HN) (resid 46 and name HA) 4.8 3.0 0.0 ! 8.52e-01 
assign (resid 46 and name HN) (resid 47 and name HN) 2.7 0.9 0.0 ! 3.46e+00 
assign (resid 47 and name HN) (resid 47 and name HA) 3.2 1.4 0.0 ! 1.46e+00 
assign (resid 48 and name HN) (resid 42 and name HD11) 4.8 3.0 0.0 ! 2.45e-01 
assign (resid 48 and name HN) (resid 46 and name HA) 4.8 3.0 0.0 ! 4.71e-01 
assign (resid 46 and name HN) (resid 48 and name HN) 4.8 3.0 0.0 ! 8.43e-01 
assign (resid 47 and name HN) (resid 48 and name HN) 2.7 0.9 0.0 ! 3.25e+00 
assign (resid 48 and name HN) (resid 48 and name HA) 2.7 0.9 0.0 ! 1.55e+01 
assign (resid 49 and name HE) (resid 46 and name HA) 4.8 3.0 0.0 ! -7.67e-01 
assign (resid 49 and name HN) (resid 46 and name HA) 3.2 1.4 0.0 ! 2.01e+00 
assign (resid 49 and name HN) (resid 47 and name HA) 4.8 3.0 0.0 ! 6.53e-01 
assign (resid 49 and name HN) (resid 47 and name HN) 4.8 3.0 0.0 ! 6.37e-01 
assign (resid 48 and name HN) (resid 49 and name HN) 2.7 0.9 0.0 ! 2.95e+00 
assign (resid 49 and name HN) (resid 49 and name HA) 2.7 0.9 0.0 ! 1.70e+01 
assign (resid 50 and name HN) (resid 46 and name HA) 4.8 3.0 0.0 ! 6.61e-01 
assign (resid 50 and name HN) (resid 47 and name HA) 4.8 3.0 0.0 ! 9.92e-01 
assign (resid 48 and name HN) (resid 50 and name HB) 4.8 3.0 0.0 ! 2.65e-01 
assign (resid 49 and name HN) (resid 50 and name HB) 4.8 3.0 0.0 ! 8.48e-01 
assign (resid 49 and name HN) (resid 50 and name HG21) 4.8 3.0 0.0 ! 1.17e+00 
assign (resid 50 and name HN) (resid 49 and name HA) 3.2 1.4 0.0 ! 1.64e+00 
assign (resid 50 and name HN) (resid 49 and name HN) 2.7 0.9 0.0 ! 2.96e+00 
assign (resid 50 and name HN) (resid 50 and name HA) 2.7 0.9 0.0 ! 7.88e+00 
assign (resid 51 and name HN) (resid 50 and name HA) 4.8 3.0 0.0 ! 1.00e+00 
assign (resid 51 and name HN) (resid 50 and name HB) 3.2 1.4 0.0 ! 2.78e+00 
assign (resid 51 and name HN) (resid 50 and name HG11) 4.8 3.0 0.0 ! 1.29e+00 
assign (resid 50 and name HN) (resid 51 and name HN) 2.7 0.9 0.0 ! 3.23e+00 
assign (resid 51 and name HN) (resid 51 and name HA) 3.2 1.4 0.0 ! 2.60e+00 
assign (resid 52 and name HN) (resid 49 and name HA) 4.8 3.0 0.0 ! 6.87e-01 
assign (resid 52 and name HN) (resid 50 and name HA) 4.8 3.0 0.0 ! 3.42e-01 
assign (resid 52 and name HN) (resid 50 and name HB) 4.8 3.0 0.0 ! 4.91e-01 
assign (resid 51 and name HN) (resid 52 and name HA) 4.8 3.0 0.0 ! 1.40e+00 
assign (resid 51 and name HN) (resid 52 and name HB1) 4.8 3.0 0.0 ! 4.08e-01 
assign (resid 52 and name HN) (resid 51 and name HA) 3.2 1.4 0.0 ! 1.35e+00 
assign (resid 52 and name HN) (resid 51 and name HN) 2.7 0.9 0.0 ! 5.33e+00 
assign (resid 52 and name HN) (resid 52 and name HB1) 2.7 0.9 0.0 ! 3.05e+01 
assign (resid 51 and name HN) (resid 53 and name HE1) 4.8 3.0 0.0 ! 4.84e-01 
assign (resid 53 and name HN) (resid 51 and name HN) 4.8 3.0 0.0 ! 1.05e+00 
assign (resid 53 and name HN) (resid 52 and name HB1) 4.8 3.0 0.0 ! 2.17e+00 
assign (resid 52 and name HN) (resid 53 and name HN) 2.7 0.9 0.0 ! 3.23e+00 
assign (resid 53 and name HN) (resid 53 and name HA) 2.7 0.9 0.0 ! 2.62e+01 
assign (resid 53 and name HN) (resid 53 and name HE1) 4.8 3.0 0.0 ! 1.77e+00 
assign (resid 54 and name HN) (resid 54 and name HA) 2.7 0.9 0.0 ! 3.62e+00 
assign (resid 54 and name HN) (resid 54 and name HB1) 4.8 3.0 0.0 ! 5.82e-01 
assign (resid 48 and name HN) (resid 55 and name HA) 4.8 3.0 0.0 ! 6.30e-01 
assign (resid 56 and name HN) (resid 54 and name HA) 4.8 3.0 0.0 ! 4.21e-01 
assign (resid 56 and name HN) (resid 56 and name HA) 2.7 0.9 0.0 ! 6.27e+00 
assign (resid 54 and name HN) (resid 57 and name HA) 4.8 3.0 0.0 ! 5.64e-01 
assign (resid 57 and name HN) (resid 54 and name HN) 4.8 3.0 0.0 ! 5.22e-01 
assign (resid 57 and name HN) (resid 56 and name HA) 4.8 3.0 0.0 ! 1.01e+00 
assign (resid 57 and name HN) (resid 56 and name HB2) 3.2 1.4 0.0 ! 2.25e+00 
assign (resid 56 and name HN) (resid 57 and name HN) 2.7 0.9 0.0 ! 3.79e+00 
assign (resid 57 and name HN) (resid 57 and name HB2) 3.2 1.4 0.0 ! 2.10e+00 
assign (resid 58 and name HN) (resid 55 and name HA) 4.8 3.0 0.0 ! 1.68e+00 
assign (resid 58 and name HN) (resid 57 and name HA) 3.2 1.4 0.0 ! 1.59e+00 
assign (resid 58 and name HN) (resid 57 and name HB1) 3.2 1.4 0.0 ! 2.18e+00 
assign (resid 58 and name HN) (resid 57 and name HB2) 3.2 1.4 0.0 ! 2.35e+00 
assign (resid 58 and name HN) (resid 58 and name HA) 2.7 0.9 0.0 ! 4.04e+00 
assign (resid 59 and name HN) (resid 55 and name HA) 4.8 3.0 0.0 ! -8.41e-01 
assign (resid 57 and name HN) (resid 59 and name HN) 4.8 3.0 0.0 ! 7.05e-01 
assign (resid 59 and name HN) (resid 58 and name HN) 2.7 0.9 0.0 ! -3.05e+00 
assign (resid 60 and name HN) (resid 59 and name HN) 2.7 0.9 0.0 ! 2.98e+00 
assign (resid 58 and name HN) (resid 61 and name HG) 4.8 3.0 0.0 ! 4.18e-01 
assign (resid 59 and name HN) (resid 61 and name HN) 4.8 3.0 0.0 ! -6.87e-01 
assign (resid 61 and name HN) (resid 60 and name HN) 2.7 0.9 0.0 ! 6.06e+00 
assign (resid 61 and name HN) (resid 61 and name HA) 2.7 0.9 0.0 ! 7.19e+00 
assign (resid 62 and name HN) (resid 61 and name HB1) 2.7 0.9 0.0 ! 4.06e+00 
assign (resid 62 and name HN) (resid 61 and name HB2) 3.2 1.4 0.0 ! 2.16e+00 
assign (resid 62 and name HN) (resid 61 and name HD11) 4.8 3.0 0.0 ! 1.19e+00 
assign (resid 62 and name HN) (resid 61 and name HD21) 3.2 1.4 0.0 ! 3.45e+00 
assign (resid 62 and name HN) (resid 61 and name HG) 4.8 3.0 0.0 ! 9.49e-01 
assign (resid 61 and name HN) (resid 62 and name HN) 4.8 3.0 0.0 ! 6.64e-01 
assign (resid 62 and name HN) (resid 62 and name HA) 3.2 1.4 0.0 ! 1.60e+00 
assign (resid 62 and name HN) (resid 62 and name HB1) 2.7 0.9 0.0 ! 1.00e+01 
assign (resid 63 and name HN) (resid 62 and name HA) 2.7 0.9 0.0 ! 6.52e+00 
assign (resid 63 and name HN) (resid 62 and name HB1) 3.2 1.4 0.0 ! 4.41e+00 
assign (resid 62 and name HN) (resid 63 and name HN) 4.8 3.0 0.0 ! 6.56e-01 
assign (resid 64 and name HE1) (resid 62 and name HA) 4.8 3.0 0.0 ! 5.76e-01 
assign (resid 64 and name HE1) (resid 62 and name HB1) 2.7 0.9 0.0 ! 8.34e+00 
assign (resid 64 and name HN) (resid 62 and name HA) 4.8 3.0 0.0 ! 1.17e+00 
assign (resid 64 and name HN) (resid 62 and name HB1) 3.2 1.4 0.0 ! 4.13e+00 
assign (resid 64 and name HN) (resid 63 and name HA) 3.2 1.4 0.0 ! 1.57e+00 
assign (resid 64 and name HN) (resid 63 and name HD11) 4.8 3.0 0.0 ! 2.61e+00 
assign (resid 64 and name HN) (resid 63 and name HN) 3.2 1.4 0.0 ! 2.37e+00 
assign (resid 64 and name HE1) (resid 64 and name HH2) 4.8 3.0 0.0 ! 7.06e-01 
assign (resid 65 and name HN) (resid 62 and name HB1) 3.2 1.4 0.0 ! 3.85e+00 
assign (resid 65 and name HN) (resid 64 and name HA) 4.8 3.0 0.0 ! 1.08e+00 
assign (resid 64 and name HE1) (resid 65 and name HN) 4.8 3.0 0.0 ! 6.49e-01 
assign (resid 65 and name HN) (resid 64 and name HN) 2.7 0.9 0.0 ! 3.00e+00 
assign (resid 65 and name HN) (resid 65 and name HA) 2.7 0.9 0.0 ! 4.56e+00 
assign (resid 66 and name HN) (resid 61 and name HB2) 4.8 3.0 0.0 ! 1.36e+00 
assign (resid 66 and name HN) (resid 61 and name HD11) 4.8 3.0 0.0 ! 6.82e-01 
assign (resid 66 and name HN) (resid 63 and name HA) 4.8 3.0 0.0 ! 1.16e+00 
assign (resid 66 and name HN) (resid 64 and name HA) 4.8 3.0 0.0 ! 3.86e-01 
assign (resid 66 and name HN) (resid 65 and name HA) 4.8 3.0 0.0 ! 8.30e-01 
assign (resid 65 and name HN) (resid 66 and name HN) 2.7 0.9 0.0 ! 4.60e+00 
assign (resid 66 and name HE) (resid 66 and name HB1) 4.8 3.0 0.0 ! -6.03e-01 
assign (resid 66 and name HE) (resid 66 and name HB2) 4.8 3.0 0.0 ! -7.43e-01 
assign (resid 66 and name HN) (resid 66 and name HA) 3.2 1.4 0.0 ! 2.44e+00 
assign (resid 66 and name HN) (resid 66 and name HB2) 4.8 3.0 0.0 ! 4.66e-01 
assign (resid 66 and name HN) (resid 66 and name HE) 4.8 3.0 0.0 ! 5.10e-01 
assign (resid 67 and name HN) (resid 63 and name HA) 4.8 3.0 0.0 ! 9.08e-01 
assign (resid 67 and name HN) (resid 64 and name HA) 3.2 1.4 0.0 ! 1.45e+00 
assign (resid 67 and name HN) (resid 65 and name HN) 4.8 3.0 0.0 ! 7.40e-01 
assign (resid 67 and name HN) (resid 66 and name HB1) 3.2 1.4 0.0 ! 1.70e+00 
assign (resid 67 and name HN) (resid 66 and name HB2) 3.2 1.4 0.0 ! 1.70e+00 
assign (resid 66 and name HN) (resid 67 and name HN) 2.7 0.9 0.0 ! 3.74e+00 
assign (resid 67 and name HN) (resid 67 and name HA) 2.7 0.9 0.0 ! 2.89e+00 
assign (resid 68 and name HN) (resid 64 and name HA) 4.8 3.0 0.0 ! 6.77e-01 
assign (resid 68 and name HN) (resid 65 and name HA) 3.2 1.4 0.0 ! 2.96e+00 
assign (resid 68 and name HN) (resid 67 and name HA) 4.8 3.0 0.0 ! 1.11e+00 
assign (resid 68 and name HN) (resid 67 and name HB1) 3.2 1.4 0.0 ! 2.49e+00 
assign (resid 68 and name HN) (resid 67 and name HN) 2.7 0.9 0.0 ! 4.35e+00 
assign (resid 68 and name HN) (resid 68 and name HA) 2.7 0.9 0.0 ! 1.12e+01 
assign (resid 69 and name HN) (resid 66 and name HA) 4.8 3.0 0.0 ! 1.14e+00 
assign (resid 69 and name HN) (resid 67 and name HA) 4.8 3.0 0.0 ! 5.02e-01 
assign (resid 68 and name HN) (resid 69 and name HG) 4.8 3.0 0.0 ! 1.84e+00 
assign (resid 69 and name HN) (resid 68 and name HA) 3.2 1.4 0.0 ! 1.90e+00 
assign (resid 68 and name HN) (resid 69 and name HN) 2.7 0.9 0.0 ! 4.71e+00 
assign (resid 69 and name HN) (resid 69 and name HG) 2.7 0.9 0.0 ! 7.79e+00 
assign (resid 70 and name HN) (resid 66 and name HA) 4.8 3.0 0.0 ! 4.52e-01 
assign (resid 70 and name HN) (resid 67 and name HA) 4.8 3.0 0.0 ! 1.49e+00 
assign (resid 68 and name HN) (resid 70 and name HN) 4.8 3.0 0.0 ! 6.87e-01 
assign (resid 70 and name HN) (resid 69 and name HA) 4.8 3.0 0.0 ! 1.22e+00 
assign (resid 69 and name HN) (resid 70 and name HN) 2.7 0.9 0.0 ! 3.53e+00 
assign (resid 70 and name HN) (resid 70 and name HA) 3.2 1.4 0.0 ! 1.46e+00 
assign (resid 70 and name HN) (resid 70 and name HB1) 2.7 0.9 0.0 ! 2.85e+00 
assign (resid 70 and name HN) (resid 70 and name HB2) 3.2 1.4 0.0 ! 2.29e+00 
assign (resid 71 and name HN) (resid 67 and name HA) 4.8 3.0 0.0 ! 9.46e-01 
assign (resid 70 and name HN) (resid 71 and name HN) 2.7 0.9 0.0 ! 3.08e+00 
assign (resid 71 and name HN) (resid 71 and name HA) 2.7 0.9 0.0 ! 5.34e+00 
assign (resid 72 and name HN) (resid 71 and name HA) 3.2 1.4 0.0 ! 2.48e+00 
assign (resid 73 and name HN) (resid 70 and name HA) 3.2 1.4 0.0 ! 1.32e+00 
assign (resid 71 and name HN) (resid 73 and name HN) 4.8 3.0 0.0 ! 5.87e-01 
assign (resid 72 and name HN) (resid 73 and name HB1) 4.8 3.0 0.0 ! 7.76e-01 
assign (resid 73 and name HN) (resid 72 and name HA) 3.2 1.4 0.0 ! 1.87e+00 
assign (resid 73 and name HN) (resid 72 and name HN) 2.7 0.9 0.0 ! 4.02e+00 
assign (resid 73 and name HN) (resid 73 and name HA) 2.7 0.9 0.0 ! 2.85e+00 
assign (resid 73 and name HN) (resid 73 and name HB1) 2.7 0.9 0.0 ! 2.07e+01 
assign (resid 74 and name HN) (resid 71 and name HA) 2.7 0.9 0.0 ! 3.93e+00 
assign (resid 74 and name HN) (resid 72 and name HA) 4.8 3.0 0.0 ! 1.36e+00 
assign (resid 75 and name HN) (resid 73 and name HB1) 4.8 3.0 0.0 ! 1.11e+00 
assign (resid 73 and name HN) (resid 75 and name HN) 4.8 3.0 0.0 ! 6.67e-01 
assign (resid 74 and name HN) (resid 75 and name HB2) 4.8 3.0 0.0 ! 3.78e-01 
assign (resid 74 and name HN) (resid 75 and name HD21) 4.8 3.0 0.0 ! 5.65e-01 
assign (resid 75 and name HN) (resid 74 and name HA) 3.2 1.4 0.0 ! 2.17e+00 
assign (resid 74 and name HN) (resid 75 and name HN) 2.7 0.9 0.0 ! 3.75e+00 
assign (resid 75 and name HN) (resid 75 and name HA) 4.8 3.0 0.0 ! 7.11e-01 
assign (resid 75 and name HN) (resid 75 and name HB2) 3.2 1.4 0.0 ! 1.69e+00 
assign (resid 76 and name HN) (resid 71 and name HA) 3.2 1.4 0.0 ! 2.27e+00 
assign (resid 74 and name HN) (resid 76 and name HN) 4.8 3.0 0.0 ! 8.37e-01 
assign (resid 76 and name HN) (resid 75 and name HB2) 4.8 3.0 0.0 ! 6.35e-01 
assign (resid 76 and name HN) (resid 75 and name HN) 2.7 0.9 0.0 ! 4.63e+00 
assign (resid 76 and name HN) (resid 76 and name HA) 2.7 0.9 0.0 ! 3.01e+00 
assign (resid 17 and name HN) (resid 20 and name HG21) 4.8 3.0 0.0 ! 3.95e-01 
assign (resid 19 and name HN) (resid 20 and name HG21) 4.8 3.0 0.0 ! 6.89e-01 
assign (resid 35 and name HN) (resid 29 and name HD11) 4.8 3.0 0.0 ! 8.31e-01 
assign (resid 37 and name HN) (resid 36 and name HA) 4.8 3.0 0.0 ! 4.41e-01 
assign (resid 39 and name HN) (resid 37 and name HA) 4.8 3.0 0.0 ! 4.38e-01 
assign (resid 39 and name HN) (resid 38 and name HD21) 4.8 3.0 0.0 ! 6.24e-01 
assign (resid 41 and name HD2) (resid 11 and name HD11) 4.8 3.0 0.0 ! 3.28e-01 
assign (resid 41 and name HN) (resid 41 and name HA) 4.8 3.0 0.0 ! 8.31e-01 
assign (resid 42 and name HN) (resid 19 and name HD11) 4.8 3.0 0.0 ! 4.97e-01 
assign (resid 42 and name HN) (resid 41 and name HA) 4.8 3.0 0.0 ! 7.35e-01 
assign (resid 43 and name HN) (resid 44 and name HN) 4.8 3.0 0.0 ! 3.56e-01 
assign (resid 43 and name HN) (resid 46 and name HN) 4.8 3.0 0.0 ! 2.99e-01 
assign (resid 49 and name HN) (resid 48 and name HA) 3.2 1.4 0.0 ! 1.43e+00 
assign (resid 47 and name HA) (resid 50 and name HB) 4.8 3.0 0.0 ! 8.61e-01 
assign (resid 51 and name HN) (resid 53 and name HN) 4.8 3.0 0.0 ! 5.61e-01 
assign (resid 54 and name HN) (resid 53 and name HN) 4.8 3.0 0.0 ! 3.59e-01 
assign (resid 62 and name HN) (resid 61 and name HN) 4.8 3.0 0.0 ! 5.57e-01 
assign (resid 66 and name HN) (resid 62 and name HB1) 4.8 3.0 0.0 ! 6.35e-01 
assign (resid 69 and name HN) (resid 65 and name HA) 4.8 3.0 0.0 ! 3.32e-01 
assign (resid 70 and name HN) (resid 69 and name HD21) 4.8 3.0 0.0 ! 5.42e-01 
assign (resid 73 and name HN) (resid 50 and name HG11) 4.8 3.0 0.0 ! 3.81e-01 
assign (resid 76 and name HN) (resid 74 and name HA) 4.8 3.0 0.0 ! 1.29e+00 
!HBOND constraints
assign (resid 44 and name O) (resid 48 and name HN) 2.3 2.3 0.0
assign (resid 44 and name O) (resid 48 and name N ) 3.3 0.8 0.0
assign (resid 46 and name O) (resid 50 and name HN) 2.3 2.3 0.0
assign (resid 46 and name O) (resid 50 and name N ) 3.3 0.8 0.0
assign (resid 47 and name O) (resid 51 and name HN) 2.3 2.3 0.0
assign (resid 47 and name O) (resid 51 and name N ) 3.3 0.8 0.0
assign (resid 55 and name O) (resid 59 and name HN) 2.3 2.3 0.0
assign (resid 55 and name O) (resid 59 and name N ) 3.3 0.8 0.0
assign (resid 56 and name O) (resid 60 and name HN) 2.3 2.3 0.0
assign (resid 56 and name O) (resid 60 and name N ) 3.3 0.8 0.0
assign (resid 63 and name O) (resid 67 and name HN) 2.3 2.3 0.0
assign (resid 63 and name O) (resid 67 and name N ) 3.3 0.8 0.0
assign (resid 64 and name O) (resid 68 and name HN) 2.3 2.3 0.0
assign (resid 64 and name O) (resid 68 and name N ) 3.3 0.8 0.0
assign (resid 65 and name O) (resid 69 and name HN) 2.3 2.3 0.0
assign (resid 65 and name O) (resid 69 and name N ) 3.3 0.8 0.0
assign (resid 66 and name O) (resid 70 and name HN) 2.3 2.3 0.0
assign (resid 66 and name O) (resid 70 and name N ) 3.3 0.8 0.0
assign (resid 67 and name O) (resid 71 and name HN) 2.3 2.3 0.0
assign (resid 67 and name O) (resid 71 and name N ) 3.3 0.8 0.0


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   PRO   9           HA       PRO   9   1.436  15.769   4.411
    2   1HB   PRO   9          2HB       PRO   9   0.937  14.456   6.960
    3   2HB   PRO   9          1HB       PRO   9   1.983  15.834   6.596
    4   1HG   PRO   9          2HG       PRO   9  -0.332  16.078   7.989
    5   2HG   PRO   9          1HG       PRO   9   0.318  17.367   6.960
    6   1HD   PRO   9          2HD       PRO   9  -1.861  15.386   6.370
    7   2HD   PRO   9          1HD       PRO   9  -1.804  17.125   6.025
    8    H    GLY  10           H        GLY  10   1.151  14.239   2.723
    9   1HA   GLY  10          2HA       GLY  10   0.740  11.482   3.703
   10   2HA   GLY  10          1HA       GLY  10   0.119  12.022   2.150
   11    H    LEU  11           H        LEU  11   1.941   9.831   2.685
   12    HA   LEU  11           HA       LEU  11   4.573  10.565   2.014
   13   1HB   LEU  11          2HB       LEU  11   3.377   7.863   1.498
   14   2HB   LEU  11          1HB       LEU  11   5.043   8.258   1.876
   15    HG   LEU  11           HG       LEU  11   3.741   9.152   4.112
   16   1HD1  LEU  11          1HD1      LEU  11   1.958   7.358   2.777
   17   2HD1  LEU  11          2HD1      LEU  11   1.740   8.219   4.300
   18   3HD1  LEU  11          3HD1      LEU  11   2.509   6.632   4.287
   19   1HD2  LEU  11          1HD2      LEU  11   5.437   6.927   3.338
   20   2HD2  LEU  11          2HD2      LEU  11   4.409   6.542   4.718
   21   3HD2  LEU  11          3HD2      LEU  11   5.486   7.937   4.782
   22    H    GLN  12           H        GLN  12   5.675  10.426   0.057
   23    HA   GLN  12           HA       GLN  12   4.314  11.216  -2.227
   24   1HB   GLN  12          2HB       GLN  12   6.978  10.938  -1.458
   25   2HB   GLN  12          1HB       GLN  12   6.810   9.883  -2.854
   26   1HG   GLN  12          2HG       GLN  12   5.862  12.727  -2.881
   27   2HG   GLN  12          1HG       GLN  12   7.520  12.280  -3.280
   28   1HE2  GLN  12          1HE2      GLN  12   4.153  11.798  -4.173
   29   2HE2  GLN  12          2HE2      GLN  12   4.454  11.402  -5.827
   30    H    ILE  13           H        ILE  13   3.628  10.178  -4.062
   31    HA   ILE  13           HA       ILE  13   2.767   7.492  -3.799
   32    HB   ILE  13           HB       ILE  13   2.886   9.212  -6.277
   33   1HG1  ILE  13          2HG1      ILE  13   1.543   9.909  -4.104
   34   2HG1  ILE  13          1HG1      ILE  13   0.854  10.121  -5.709
   35   1HG2  ILE  13          1HG2      ILE  13   1.849   6.508  -5.736
   36   2HG2  ILE  13          2HG2      ILE  13   2.408   7.235  -7.243
   37   3HG2  ILE  13          3HG2      ILE  13   0.785   7.578  -6.647
   38   1HD1  ILE  13          1HD1      ILE  13   0.352   7.600  -4.204
   39   2HD1  ILE  13          2HD1      ILE  13  -0.627   8.381  -5.447
   40   3HD1  ILE  13          3HD1      ILE  13  -0.561   9.059  -3.819
   41    H    TYR  14           H        TYR  14   3.873   5.691  -4.140
   42    HA   TYR  14           HA       TYR  14   6.308   5.810  -5.782
   43   1HB   TYR  14          2HB       TYR  14   5.484   3.770  -3.704
   44   2HB   TYR  14          1HB       TYR  14   6.998   3.761  -4.602
   45    HD1  TYR  14           1HD      TYR  14   6.842   7.032  -4.298
   46    HD2  TYR  14           2HD      TYR  14   7.030   3.675  -1.691
   47    HE1  TYR  14           1HE      TYR  14   7.876   8.440  -2.568
   48    HE2  TYR  14           2HE      TYR  14   8.062   5.074   0.046
   49    HH   TYR  14           HH       TYR  14   9.518   7.823  -0.430
   50    HA   PRO  15           HA       PRO  15   4.343   3.413  -8.921
   51   1HB   PRO  15          2HB       PRO  15   6.562   2.219  -9.990
   52   2HB   PRO  15          1HB       PRO  15   6.097   3.893 -10.312
   53   1HG   PRO  15          2HG       PRO  15   8.119   2.826  -8.383
   54   2HG   PRO  15          1HG       PRO  15   8.226   4.236  -9.453
   55   1HD   PRO  15          2HD       PRO  15   7.690   4.474  -6.822
   56   2HD   PRO  15          1HD       PRO  15   6.983   5.568  -8.030
   57    H    TYR  16           H        TYR  16   3.985   2.251  -6.495
   58    HA   TYR  16           HA       TYR  16   3.806   0.268  -5.365
   59   1HB   TYR  16          2HB       TYR  16   2.234   0.002  -7.272
   60   2HB   TYR  16          1HB       TYR  16   3.516  -0.815  -8.159
   61    HD1  TYR  16           1HD      TYR  16   2.105  -1.083  -4.698
   62    HD2  TYR  16           2HD      TYR  16   3.189  -3.090  -8.289
   63    HE1  TYR  16           1HE      TYR  16   1.407  -3.222  -3.707
   64    HE2  TYR  16           2HE      TYR  16   2.493  -5.234  -7.309
   65    HH   TYR  16           HH       TYR  16   2.025  -5.721  -4.098
   66    H    GLU  17           H        GLU  17   5.317  -0.931  -8.236
   67    HA   GLU  17           HA       GLU  17   6.858  -2.917  -7.237
   68   1HB   GLU  17          2HB       GLU  17   8.159  -1.159  -9.266
   69   2HB   GLU  17          1HB       GLU  17   8.034  -2.912  -9.221
   70   1HG   GLU  17          2HG       GLU  17   5.551  -2.579  -9.682
   71   2HG   GLU  17          1HG       GLU  17   5.972  -0.914 -10.082
   72    H    MET  18           H        MET  18   7.283   0.460  -6.834
   73    HA   MET  18           HA       MET  18  10.000   0.502  -6.109
   74   1HB   MET  18          2HB       MET  18   7.844   2.368  -6.262
   75   2HB   MET  18          1HB       MET  18   8.614   2.535  -4.690
   76   1HG   MET  18          2HG       MET  18  10.305   2.434  -7.139
   77   2HG   MET  18          1HG       MET  18   9.443   3.919  -6.739
   78   1HE   MET  18          1HE       MET  18  11.657   4.747  -7.091
   79   2HE   MET  18          2HE       MET  18  13.121   4.138  -6.320
   80   3HE   MET  18          3HE       MET  18  12.258   5.506  -5.617
   81    H    LEU  19           H        LEU  19   7.146  -0.483  -4.525
   82    HA   LEU  19           HA       LEU  19   8.598  -0.819  -1.986
   83   1HB   LEU  19          2HB       LEU  19   5.630  -0.445  -2.389
   84   2HB   LEU  19          1HB       LEU  19   6.447  -0.627  -0.846
   85    HG   LEU  19           HG       LEU  19   7.335   1.619  -2.568
   86   1HD1  LEU  19          1HD1      LEU  19   5.051   1.978  -2.924
   87   2HD1  LEU  19          2HD1      LEU  19   5.445   2.991  -1.535
   88   3HD1  LEU  19          3HD1      LEU  19   4.624   1.449  -1.295
   89   1HD2  LEU  19          1HD2      LEU  19   7.639   0.766   0.094
   90   2HD2  LEU  19          2HD2      LEU  19   6.702   2.259   0.145
   91   3HD2  LEU  19          3HD2      LEU  19   8.274   2.231  -0.655
   92    H    VAL  20           H        VAL  20   6.867  -2.262  -4.546
   93    HA   VAL  20           HA       VAL  20   5.893  -4.591  -3.290
   94    HB   VAL  20           HB       VAL  20   6.780  -4.386  -6.164
   95   1HG1  VAL  20          1HG1      VAL  20   6.219  -6.596  -5.773
   96   2HG1  VAL  20          2HG1      VAL  20   4.699  -5.918  -6.356
   97   3HG1  VAL  20          3HG1      VAL  20   4.944  -6.180  -4.629
   98   1HG2  VAL  20          1HG2      VAL  20   5.182  -2.546  -5.150
   99   2HG2  VAL  20          2HG2      VAL  20   3.978  -3.815  -5.354
  100   3HG2  VAL  20          3HG2      VAL  20   4.893  -3.237  -6.746
  101    H    VAL  21           H        VAL  21   7.995  -4.771  -1.956
  102    HA   VAL  21           HA       VAL  21  10.381  -5.681  -3.002
  103    HB   VAL  21           HB       VAL  21   9.107  -6.472  -0.382
  104   1HG1  VAL  21          1HG1      VAL  21  11.713  -7.091  -1.609
  105   2HG1  VAL  21          2HG1      VAL  21  10.798  -7.965  -0.380
  106   3HG1  VAL  21          3HG1      VAL  21  11.763  -6.560   0.072
  107   1HG2  VAL  21          1HG2      VAL  21   9.698  -3.969  -1.105
  108   2HG2  VAL  21          2HG2      VAL  21  11.289  -4.477  -0.537
  109   3HG2  VAL  21          3HG2      VAL  21   9.898  -4.558   0.545
  110    H    THR  22           H        THR  22  10.726  -7.372  -4.291
  111    HA   THR  22           HA       THR  22   9.242  -9.815  -3.820
  112    HB   THR  22           HB       THR  22  10.250  -9.713  -6.469
  113    HG1  THR  22           1HG      THR  22   9.807  -7.361  -5.823
  114   1HG2  THR  22          1HG2      THR  22   7.412  -9.430  -6.354
  115   2HG2  THR  22          2HG2      THR  22   7.957 -10.615  -5.167
  116   3HG2  THR  22          3HG2      THR  22   8.381 -10.811  -6.867
  117    H    ASN  23           H        ASN  23  11.198 -10.004  -2.316
  118    HA   ASN  23           HA       ASN  23  12.817 -12.053  -3.045
  119   1HB   ASN  23          2HB       ASN  23  13.617  -9.874  -4.550
  120   2HB   ASN  23          1HB       ASN  23  14.771  -9.886  -3.220
  121   1HD2  ASN  23          1HD2      ASN  23  13.153 -12.629  -4.727
  122   2HD2  ASN  23          2HD2      ASN  23  14.590 -13.384  -5.317
  123    H    LYS  24           H        LYS  24  11.742 -11.708  -0.754
  124    HA   LYS  24           HA       LYS  24  11.991 -10.906   1.463
  125   1HB   LYS  24          2HB       LYS  24  13.557 -12.482   2.537
  126   2HB   LYS  24          1HB       LYS  24  12.511 -13.273   1.367
  127   1HG   LYS  24          2HG       LYS  24  15.151 -12.327   0.415
  128   2HG   LYS  24          1HG       LYS  24  15.116 -13.733   1.481
  129   1HD   LYS  24          2HD       LYS  24  13.965 -13.396  -1.257
  130   2HD   LYS  24          1HD       LYS  24  14.959 -14.704  -0.613
  131   1HE   LYS  24          2HE       LYS  24  13.010 -15.303   0.866
  132   2HE   LYS  24          1HE       LYS  24  12.051 -14.152  -0.064
  133   1HZ   LYS  24          1HZ       LYS  24  13.369 -15.822  -1.870
  134   2HZ   LYS  24          2HZ       LYS  24  11.709 -15.724  -1.562
  135   3HZ   LYS  24          3HZ       LYS  24  12.666 -16.814  -0.693
  136    H    GLY  25           H        GLY  25  15.038 -11.490   2.277
  137   1HA   GLY  25          2HA       GLY  25  16.829 -10.177   2.852
  138   2HA   GLY  25          1HA       GLY  25  16.565  -9.350   1.324
  139    H    ARG  26           H        ARG  26  16.767  -8.898   4.566
  140    HA   ARG  26           HA       ARG  26  14.706  -7.188   5.245
  141   1HB   ARG  26          2HB       ARG  26  17.586  -7.172   6.146
  142   2HB   ARG  26          1HB       ARG  26  16.310  -6.233   6.909
  143   1HG   ARG  26          2HG       ARG  26  16.487  -8.113   8.253
  144   2HG   ARG  26          1HG       ARG  26  15.111  -8.481   7.212
  145   1HD   ARG  26          2HD       ARG  26  16.244 -10.087   6.047
  146   2HD   ARG  26          1HD       ARG  26  17.811  -9.320   6.301
  147    HE   ARG  26           HE       ARG  26  16.397 -11.041   8.213
  148   1HH1  ARG  26          1HH1      ARG  26  19.257  -9.309   7.236
  149   2HH1  ARG  26          2HH1      ARG  26  20.278 -10.075   8.406
  150   1HH2  ARG  26          1HH2      ARG  26  17.733 -12.055   9.758
  151   2HH2  ARG  26          2HH2      ARG  26  19.412 -11.637   9.840
  152    H    THR  27           H        THR  27  14.748  -6.292   2.860
  153    HA   THR  27           HA       THR  27  16.567  -4.247   2.231
  154    HB   THR  27           HB       THR  27  15.598  -4.744   0.287
  155    HG1  THR  27           1HG      THR  27  14.751  -2.608   0.888
  156   1HG2  THR  27          1HG2      THR  27  13.177  -5.529   0.130
  157   2HG2  THR  27          2HG2      THR  27  13.243  -5.667   1.887
  158   3HG2  THR  27          3HG2      THR  27  14.344  -6.614   0.886
  159    H    LYS  28           H        LYS  28  16.043  -1.974   1.950
  160    HA   LYS  28           HA       LYS  28  14.486  -0.988   4.238
  161   1HB   LYS  28          2HB       LYS  28  16.487   0.548   2.578
  162   2HB   LYS  28          1HB       LYS  28  15.804   1.017   4.129
  163   1HG   LYS  28          2HG       LYS  28  16.907  -1.160   4.994
  164   2HG   LYS  28          1HG       LYS  28  17.876  -1.045   3.524
  165   1HD   LYS  28          2HD       LYS  28  17.656   1.463   5.025
  166   2HD   LYS  28          1HD       LYS  28  18.476   0.165   5.895
  167   1HE   LYS  28          2HE       LYS  28  20.020  -0.131   4.045
  168   2HE   LYS  28          1HE       LYS  28  19.173   1.104   3.115
  169   1HZ   LYS  28          1HZ       LYS  28  20.442   1.645   5.738
  170   2HZ   LYS  28          2HZ       LYS  28  19.868   2.772   4.616
  171   3HZ   LYS  28          3HZ       LYS  28  21.245   1.856   4.264
  172    H    LEU  29           H        LEU  29  12.770   0.345   3.981
  173    HA   LEU  29           HA       LEU  29  11.633   0.565   1.383
  174   1HB   LEU  29          2HB       LEU  29  10.720   1.479   4.098
  175   2HB   LEU  29          1HB       LEU  29   9.793   1.775   2.632
  176    HG   LEU  29           HG       LEU  29  10.521  -0.948   3.722
  177   1HD1  LEU  29          1HD1      LEU  29   8.374   0.873   4.326
  178   2HD1  LEU  29          2HD1      LEU  29   8.773  -0.679   5.063
  179   3HD1  LEU  29          3HD1      LEU  29   7.754  -0.621   3.624
  180   1HD2  LEU  29          1HD2      LEU  29   8.699  -1.575   1.992
  181   2HD2  LEU  29          2HD2      LEU  29  10.346  -1.274   1.436
  182   3HD2  LEU  29          3HD2      LEU  29   9.111  -0.029   1.249
  183    HA   PRO  30           HA       PRO  30  12.782   4.557  -0.036
  184   1HB   PRO  30          2HB       PRO  30   9.877   5.250   0.025
  185   2HB   PRO  30          1HB       PRO  30  11.051   5.438  -1.284
  186   1HG   PRO  30          2HG       PRO  30   9.276   3.460  -1.341
  187   2HG   PRO  30          1HG       PRO  30  10.945   3.195  -1.877
  188   1HD   PRO  30          2HD       PRO  30   9.606   2.342   0.646
  189   2HD   PRO  30          1HD       PRO  30  10.870   1.525  -0.296
  190    HA   PRO  31           HA       PRO  31  13.181   7.228   3.452
  191   1HB   PRO  31          2HB       PRO  31  12.877   9.427   1.464
  192   2HB   PRO  31          1HB       PRO  31  14.149   9.160   2.661
  193   1HG   PRO  31          2HG       PRO  31  14.584   8.659   0.082
  194   2HG   PRO  31          1HG       PRO  31  15.247   7.600   1.342
  195   1HD   PRO  31          2HD       PRO  31  12.919   7.163  -0.473
  196   2HD   PRO  31          1HD       PRO  31  14.103   5.995   0.147
  197    H    GLY  32           H        GLY  32  11.024   6.610   4.213
  198   1HA   GLY  32          2HA       GLY  32   9.303   7.929   5.350
  199   2HA   GLY  32          1HA       GLY  32   9.095   8.817   3.848
  200    H    VAL  33           H        VAL  33   8.997   5.440   4.984
  201    HA   VAL  33           HA       VAL  33   6.619   5.062   3.393
  202    HB   VAL  33           HB       VAL  33   8.785   3.132   3.961
  203   1HG1  VAL  33          1HG1      VAL  33   6.155   2.584   2.624
  204   2HG1  VAL  33          2HG1      VAL  33   6.607   2.039   4.238
  205   3HG1  VAL  33          3HG1      VAL  33   7.474   1.432   2.826
  206   1HG2  VAL  33          1HG2      VAL  33   8.270   4.893   1.842
  207   2HG2  VAL  33          2HG2      VAL  33   7.993   3.259   1.238
  208   3HG2  VAL  33          3HG2      VAL  33   9.548   3.684   1.956
  209    H    ASP  34           H        ASP  34   5.015   3.716   4.157
  210    HA   ASP  34           HA       ASP  34   5.091   3.382   7.070
  211   1HB   ASP  34          2HB       ASP  34   3.523   5.077   5.586
  212   2HB   ASP  34          1HB       ASP  34   2.451   3.698   5.849
  213    H    ARG  35           H        ARG  35   5.530   1.206   7.185
  214    HA   ARG  35           HA       ARG  35   4.838  -0.863   5.601
  215   1HB   ARG  35          2HB       ARG  35   5.459  -0.555   8.413
  216   2HB   ARG  35          1HB       ARG  35   4.318  -1.869   8.161
  217   1HG   ARG  35          2HG       ARG  35   5.926  -2.702   6.370
  218   2HG   ARG  35          1HG       ARG  35   7.088  -1.565   7.057
  219   1HD   ARG  35          2HD       ARG  35   5.716  -3.278   9.011
  220   2HD   ARG  35          1HD       ARG  35   6.766  -4.132   7.881
  221    HE   ARG  35           HE       ARG  35   7.916  -1.811   9.190
  222   1HH1  ARG  35          1HH1      ARG  35   7.524  -5.270   9.150
  223   2HH1  ARG  35          2HH1      ARG  35   8.919  -5.571  10.132
  224   1HH2  ARG  35          1HH2      ARG  35   9.756  -2.194  10.484
  225   2HH2  ARG  35          2HH2      ARG  35  10.188  -3.821  10.891
  226    H    MET  36           H        MET  36   2.863  -0.319   8.503
  227    HA   MET  36           HA       MET  36   0.644  -1.703   7.590
  228   1HB   MET  36          2HB       MET  36   0.895   0.485   9.649
  229   2HB   MET  36          1HB       MET  36  -0.602  -0.392   9.365
  230   1HG   MET  36          2HG       MET  36   0.198  -2.334  10.271
  231   2HG   MET  36          1HG       MET  36   1.878  -1.937   9.916
  232   1HE   MET  36          1HE       MET  36   3.059   0.129  11.030
  233   2HE   MET  36          2HE       MET  36   3.499  -1.326  11.924
  234   3HE   MET  36          3HE       MET  36   3.086   0.151  12.794
  235    H    ARG  37           H        ARG  37   1.837   1.271   6.574
  236    HA   ARG  37           HA       ARG  37  -0.695   1.857   5.201
  237   1HB   ARG  37          2HB       ARG  37   0.394   3.429   7.236
  238   2HB   ARG  37          1HB       ARG  37   0.826   4.263   5.749
  239   1HG   ARG  37          2HG       ARG  37  -1.199   5.215   6.209
  240   2HG   ARG  37          1HG       ARG  37  -1.691   3.887   5.156
  241   1HD   ARG  37          2HD       ARG  37  -2.829   2.871   6.792
  242   2HD   ARG  37          1HD       ARG  37  -1.535   3.123   7.963
  243    HE   ARG  37           HE       ARG  37  -3.167   5.438   7.314
  244   1HH1  ARG  37          1HH1      ARG  37  -2.520   2.800   9.493
  245   2HH1  ARG  37          2HH1      ARG  37  -3.365   3.520  10.822
  246   1HH2  ARG  37          1HH2      ARG  37  -4.283   6.396   9.058
  247   2HH2  ARG  37          2HH2      ARG  37  -4.368   5.564  10.575
  248    H    LEU  38           H        LEU  38   0.953   0.432   3.802
  249    HA   LEU  38           HA       LEU  38   2.945   1.969   2.417
  250   1HB   LEU  38          2HB       LEU  38   2.133  -0.791   2.629
  251   2HB   LEU  38          1HB       LEU  38   2.337  -0.340   0.952
  252    HG   LEU  38           HG       LEU  38   4.470  -0.995   1.345
  253   1HD1  LEU  38          1HD1      LEU  38   4.574   1.712   2.656
  254   2HD1  LEU  38          2HD1      LEU  38   4.591   1.427   0.916
  255   3HD1  LEU  38          3HD1      LEU  38   5.925   0.853   1.917
  256   1HD2  LEU  38          1HD2      LEU  38   3.648  -0.645   4.142
  257   2HD2  LEU  38          2HD2      LEU  38   5.372  -0.424   3.830
  258   3HD2  LEU  38          3HD2      LEU  38   4.581  -1.937   3.385
  259    H    GLU  39           H        GLU  39  -0.318   1.124   2.054
  260    HA   GLU  39           HA       GLU  39  -0.787   1.441  -0.661
  261   1HB   GLU  39          2HB       GLU  39  -2.993   2.622   0.614
  262   2HB   GLU  39          1HB       GLU  39  -2.837   0.956   0.077
  263   1HG   GLU  39          2HG       GLU  39  -3.537   1.044   2.385
  264   2HG   GLU  39          1HG       GLU  39  -1.928   0.338   2.260
  265    H    ARG  40           H        ARG  40  -0.218   3.831   1.809
  266    HA   ARG  40           HA       ARG  40  -1.137   6.091   0.464
  267   1HB   ARG  40          2HB       ARG  40   1.056   5.822   2.515
  268   2HB   ARG  40          1HB       ARG  40   0.384   7.356   1.982
  269   1HG   ARG  40          2HG       ARG  40  -1.697   5.542   2.822
  270   2HG   ARG  40          1HG       ARG  40  -0.495   5.783   4.092
  271   1HD   ARG  40          2HD       ARG  40  -1.163   7.882   4.468
  272   2HD   ARG  40          1HD       ARG  40  -1.227   8.256   2.746
  273    HE   ARG  40           HE       ARG  40  -3.408   6.628   3.703
  274   1HH1  ARG  40          1HH1      ARG  40  -2.235   9.859   3.148
  275   2HH1  ARG  40          2HH1      ARG  40  -3.818  10.560   3.071
  276   1HH2  ARG  40          1HH2      ARG  40  -5.496   7.539   3.604
  277   2HH2  ARG  40          2HH2      ARG  40  -5.672   9.240   3.331
  278    H    HIS  41           H        HIS  41   1.237   4.036  -0.447
  279    HA   HIS  41           HA       HIS  41   2.843   6.105  -1.776
  280   1HB   HIS  41          2HB       HIS  41   3.400   3.174  -1.298
  281   2HB   HIS  41          1HB       HIS  41   4.450   4.245  -2.221
  282    HD1  HIS  41           1HD      HIS  41   5.568   6.234  -0.835
  283    HD2  HIS  41           2HD      HIS  41   3.746   3.258   1.412
  284    HE1  HIS  41           1HE      HIS  41   6.437   6.531   1.505
  285    HE2  HIS  41           2HE      HIS  41   5.161   4.846   2.874
  286    H    LEU  42           H        LEU  42   0.727   3.385  -2.342
  287    HA   LEU  42           HA       LEU  42   1.215   2.951  -5.052
  288   1HB   LEU  42          2HB       LEU  42  -0.827   2.326  -3.055
  289   2HB   LEU  42          1HB       LEU  42  -1.430   2.417  -4.689
  290    HG   LEU  42           HG       LEU  42   0.275   0.393  -3.424
  291   1HD1  LEU  42          1HD1      LEU  42  -1.989   0.640  -5.252
  292   2HD1  LEU  42          2HD1      LEU  42  -1.618  -0.617  -4.068
  293   3HD1  LEU  42          3HD1      LEU  42  -0.865  -0.657  -5.663
  294   1HD2  LEU  42          1HD2      LEU  42   0.900   1.550  -6.116
  295   2HD2  LEU  42          2HD2      LEU  42   1.172  -0.160  -5.789
  296   3HD2  LEU  42          3HD2      LEU  42   2.002   1.064  -4.829
  297    H    SER  43           H        SER  43   0.791   4.168  -6.779
  298    HA   SER  43           HA       SER  43  -0.495   6.675  -6.559
  299   1HB   SER  43          2HB       SER  43   1.041   5.313  -8.494
  300   2HB   SER  43          1HB       SER  43  -0.457   5.855  -9.248
  301    HG   SER  43           HG       SER  43   0.458   7.734  -9.327
  302    H    ALA  44           H        ALA  44  -2.373   7.302  -7.906
  303    HA   ALA  44           HA       ALA  44  -4.630   5.850  -7.222
  304   1HB   ALA  44          1HB       ALA  44  -4.406   7.738  -9.557
  305   2HB   ALA  44          2HB       ALA  44  -4.581   8.257  -7.879
  306   3HB   ALA  44          3HB       ALA  44  -5.867   7.331  -8.655
  307    H    GLU  45           H        GLU  45  -2.627   5.704 -10.070
  308    HA   GLU  45           HA       GLU  45  -4.354   4.041 -11.536
  309   1HB   GLU  45          2HB       GLU  45  -1.412   4.576 -11.926
  310   2HB   GLU  45          1HB       GLU  45  -2.478   3.811 -13.097
  311   1HG   GLU  45          2HG       GLU  45  -3.757   5.857 -13.311
  312   2HG   GLU  45          1HG       GLU  45  -2.757   6.631 -12.082
  313    H    ASP  46           H        ASP  46  -2.066   3.634  -9.051
  314    HA   ASP  46           HA       ASP  46  -1.716   0.860  -9.645
  315   1HB   ASP  46          2HB       ASP  46  -0.420   2.648  -7.611
  316   2HB   ASP  46          1HB       ASP  46  -0.196   0.899  -7.599
  317    H    PHE  47           H        PHE  47  -3.143   2.916  -7.145
  318    HA   PHE  47           HA       PHE  47  -3.851   0.765  -5.465
  319   1HB   PHE  47          2HB       PHE  47  -3.850   3.058  -4.620
  320   2HB   PHE  47          1HB       PHE  47  -5.161   3.466  -5.727
  321    HD1  PHE  47           1HD      PHE  47  -7.374   2.293  -5.458
  322    HD2  PHE  47           2HD      PHE  47  -4.292   2.120  -2.530
  323    HE1  PHE  47           1HE      PHE  47  -9.018   1.576  -3.777
  324    HE2  PHE  47           2HE      PHE  47  -5.926   1.398  -0.845
  325    HZ   PHE  47           HZ       PHE  47  -8.297   1.128  -1.470
  326    H    SER  48           H        SER  48  -5.577   2.538  -7.859
  327    HA   SER  48           HA       SER  48  -7.953   1.085  -7.756
  328   1HB   SER  48          2HB       SER  48  -6.770   2.963  -9.750
  329   2HB   SER  48          1HB       SER  48  -8.233   2.067 -10.159
  330    HG   SER  48           HG       SER  48  -8.596   4.160  -9.180
  331    H    ARG  49           H        ARG  49  -4.995   0.528  -9.371
  332    HA   ARG  49           HA       ARG  49  -6.101  -1.571 -10.956
  333   1HB   ARG  49          2HB       ARG  49  -3.435  -0.228 -10.922
  334   2HB   ARG  49          1HB       ARG  49  -3.662  -1.746 -11.778
  335   1HG   ARG  49          2HG       ARG  49  -5.749  -0.232 -12.700
  336   2HG   ARG  49          1HG       ARG  49  -4.459   0.958 -12.512
  337   1HD   ARG  49          2HD       ARG  49  -3.888  -1.651 -13.850
  338   2HD   ARG  49          1HD       ARG  49  -4.710  -0.375 -14.745
  339    HE   ARG  49           HE       ARG  49  -2.243   0.373 -13.405
  340   1HH1  ARG  49          1HH1      ARG  49  -3.815  -0.614 -16.352
  341   2HH1  ARG  49          2HH1      ARG  49  -2.550  -0.025 -17.377
  342   1HH2  ARG  49          1HH2      ARG  49  -0.571   1.153 -14.747
  343   2HH2  ARG  49          2HH2      ARG  49  -0.705   0.980 -16.465
  344    H    VAL  50           H        VAL  50  -4.508  -1.070  -8.085
  345    HA   VAL  50           HA       VAL  50  -3.363  -3.680  -7.832
  346    HB   VAL  50           HB       VAL  50  -3.346  -1.198  -6.218
  347   1HG1  VAL  50          1HG1      VAL  50  -2.017  -3.383  -4.905
  348   2HG1  VAL  50          2HG1      VAL  50  -3.756  -3.623  -4.962
  349   3HG1  VAL  50          3HG1      VAL  50  -3.085  -2.163  -4.232
  350   1HG2  VAL  50          1HG2      VAL  50  -1.400  -1.124  -7.227
  351   2HG2  VAL  50          2HG2      VAL  50  -1.533  -2.775  -7.809
  352   3HG2  VAL  50          3HG2      VAL  50  -0.876  -2.448  -6.202
  353    H    PHE  51           H        PHE  51  -5.871  -1.764  -6.246
  354    HA   PHE  51           HA       PHE  51  -6.859  -4.210  -4.977
  355   1HB   PHE  51          2HB       PHE  51  -7.410  -1.337  -4.208
  356   2HB   PHE  51          1HB       PHE  51  -7.910  -2.771  -3.317
  357    HD1  PHE  51           1HD      PHE  51  -6.115  -4.263  -2.353
  358    HD2  PHE  51           2HD      PHE  51  -5.322  -0.348  -3.826
  359    HE1  PHE  51           1HE      PHE  51  -4.026  -4.204  -1.061
  360    HE2  PHE  51           2HE      PHE  51  -3.237  -0.277  -2.525
  361    HZ   PHE  51           HZ       PHE  51  -2.581  -2.209  -1.143
  362    H    ALA  52           H        ALA  52  -7.375  -2.591  -7.670
  363    HA   ALA  52           HA       ALA  52  -9.114  -2.170  -9.066
  364   1HB   ALA  52          1HB       ALA  52  -9.170  -4.711  -8.244
  365   2HB   ALA  52          2HB       ALA  52 -10.281  -4.055  -9.452
  366   3HB   ALA  52          3HB       ALA  52 -10.794  -4.208  -7.768
  367    H    MET  53           H        MET  53  -9.008  -0.562  -6.775
  368    HA   MET  53           HA       MET  53 -11.772   0.234  -6.588
  369   1HB   MET  53          2HB       MET  53 -10.152  -0.783  -4.361
  370   2HB   MET  53          1HB       MET  53 -10.950   0.748  -4.034
  371   1HG   MET  53          2HG       MET  53 -12.727  -0.440  -3.467
  372   2HG   MET  53          1HG       MET  53 -12.934  -0.780  -5.185
  373   1HE   MET  53          1HE       MET  53  -9.750  -2.169  -3.416
  374   2HE   MET  53          2HE       MET  53 -10.380  -3.574  -2.555
  375   3HE   MET  53          3HE       MET  53 -10.853  -1.950  -2.057
  376    H    SER  54           H        SER  54 -12.050   2.474  -6.068
  377    HA   SER  54           HA       SER  54 -10.007   4.131  -7.080
  378   1HB   SER  54          2HB       SER  54 -11.504   5.999  -6.344
  379   2HB   SER  54          1HB       SER  54 -12.315   4.798  -7.348
  380    HG   SER  54           HG       SER  54 -13.624   5.207  -5.603
  381    HA   PRO  55           HA       PRO  55  -7.187   4.446  -3.687
  382   1HB   PRO  55          2HB       PRO  55  -7.248   7.328  -4.156
  383   2HB   PRO  55          1HB       PRO  55  -5.905   6.202  -4.363
  384   1HG   PRO  55          2HG       PRO  55  -7.784   7.220  -6.364
  385   2HG   PRO  55          1HG       PRO  55  -6.247   6.376  -6.606
  386   1HD   PRO  55          2HD       PRO  55  -8.635   5.271  -7.197
  387   2HD   PRO  55          1HD       PRO  55  -7.262   4.300  -6.617
  388    H    GLU  56           H        GLU  56  -9.936   6.439  -4.160
  389    HA   GLU  56           HA       GLU  56 -10.221   7.471  -1.596
  390   1HB   GLU  56          2HB       GLU  56 -12.586   7.821  -2.444
  391   2HB   GLU  56          1HB       GLU  56 -11.309   8.632  -3.318
  392   1HG   GLU  56          2HG       GLU  56 -11.665   6.122  -4.529
  393   2HG   GLU  56          1HG       GLU  56 -13.275   6.769  -4.238
  394    H    GLU  57           H        GLU  57 -11.724   4.785  -3.330
  395    HA   GLU  57           HA       GLU  57 -13.564   3.865  -1.670
  396   1HB   GLU  57          2HB       GLU  57 -11.713   2.679  -3.579
  397   2HB   GLU  57          1HB       GLU  57 -12.307   1.554  -2.385
  398   1HG   GLU  57          2HG       GLU  57 -14.135   3.293  -3.995
  399   2HG   GLU  57          1HG       GLU  57 -13.597   1.709  -4.552
  400    H    PHE  58           H        PHE  58 -10.224   3.743  -1.315
  401    HA   PHE  58           HA       PHE  58 -10.180   2.128   1.030
  402   1HB   PHE  58          2HB       PHE  58  -8.276   2.933  -0.872
  403   2HB   PHE  58          1HB       PHE  58  -7.751   3.624   0.660
  404    HD1  PHE  58           1HD      PHE  58  -9.462   0.422  -0.109
  405    HD2  PHE  58           2HD      PHE  58  -5.995   2.323   1.421
  406    HE1  PHE  58           1HE      PHE  58  -8.573  -1.758   0.569
  407    HE2  PHE  58           2HE      PHE  58  -5.095   0.152   2.101
  408    HZ   PHE  58           HZ       PHE  58  -6.391  -1.877   1.668
  409    H    GLY  59           H        GLY  59  -9.724   5.539   0.240
  410   1HA   GLY  59          2HA       GLY  59  -9.113   6.458   2.818
  411   2HA   GLY  59          1HA       GLY  59  -9.837   7.427   1.542
  412    H    LYS  60           H        LYS  60 -11.922   4.997   1.801
  413    HA   LYS  60           HA       LYS  60 -13.421   6.259   3.894
  414   1HB   LYS  60          2HB       LYS  60 -14.102   6.023   1.177
  415   2HB   LYS  60          1HB       LYS  60 -15.187   4.968   2.072
  416   1HG   LYS  60          2HG       LYS  60 -16.291   6.683   3.012
  417   2HG   LYS  60          1HG       LYS  60 -14.829   7.651   3.214
  418   1HD   LYS  60          2HD       LYS  60 -16.350   7.243   0.638
  419   2HD   LYS  60          1HD       LYS  60 -16.366   8.701   1.633
  420   1HE   LYS  60          2HE       LYS  60 -14.359   9.391   0.879
  421   2HE   LYS  60          1HE       LYS  60 -13.695   7.758   0.852
  422   1HZ   LYS  60          1HZ       LYS  60 -13.893   8.747  -1.370
  423   2HZ   LYS  60          2HZ       LYS  60 -15.569   8.853  -1.175
  424   3HZ   LYS  60          3HZ       LYS  60 -14.818   7.338  -1.217
  425    H    LEU  61           H        LEU  61 -12.189   3.385   2.707
  426    HA   LEU  61           HA       LEU  61 -13.973   1.520   3.779
  427   1HB   LEU  61          2HB       LEU  61 -11.091   1.420   2.995
  428   2HB   LEU  61          1HB       LEU  61 -11.838   0.044   3.771
  429    HG   LEU  61           HG       LEU  61 -13.081   1.236   1.325
  430   1HD1  LEU  61          1HD1      LEU  61 -11.230  -1.050   1.026
  431   2HD1  LEU  61          2HD1      LEU  61 -10.515   0.550   1.191
  432   3HD1  LEU  61          3HD1      LEU  61 -11.651   0.224  -0.118
  433   1HD2  LEU  61          1HD2      LEU  61 -13.218  -1.313   2.848
  434   2HD2  LEU  61          2HD2      LEU  61 -13.536  -1.340   1.114
  435   3HD2  LEU  61          3HD2      LEU  61 -14.519  -0.331   2.176
  436    H    ALA  62           H        ALA  62 -12.605  -0.184   5.366
  437    HA   ALA  62           HA       ALA  62 -12.265   1.364   7.846
  438   1HB   ALA  62          1HB       ALA  62 -12.922  -1.568   7.604
  439   2HB   ALA  62          2HB       ALA  62 -14.135  -0.296   7.750
  440   3HB   ALA  62          3HB       ALA  62 -12.982  -0.570   9.056
  441    H    LEU  63           H        LEU  63 -10.990  -0.410   9.447
  442    HA   LEU  63           HA       LEU  63  -8.332  -0.374   8.340
  443   1HB   LEU  63          2HB       LEU  63  -9.483  -0.357  10.959
  444   2HB   LEU  63          1HB       LEU  63  -8.318  -1.663  10.849
  445    HG   LEU  63           HG       LEU  63  -7.251   0.331  11.716
  446   1HD1  LEU  63          1HD1      LEU  63  -6.272  -1.240   9.750
  447   2HD1  LEU  63          2HD1      LEU  63  -5.349   0.027  10.557
  448   3HD1  LEU  63          3HD1      LEU  63  -6.117   0.350   9.003
  449   1HD2  LEU  63          1HD2      LEU  63  -7.637   1.784   9.146
  450   2HD2  LEU  63          2HD2      LEU  63  -7.337   2.413  10.766
  451   3HD2  LEU  63          3HD2      LEU  63  -8.936   1.805  10.338
  452    H    TRP  64           H        TRP  64 -10.791  -2.629   8.930
  453    HA   TRP  64           HA       TRP  64  -9.174  -4.935   8.759
  454   1HB   TRP  64          2HB       TRP  64 -11.435  -6.104   8.594
  455   2HB   TRP  64          1HB       TRP  64 -11.125  -5.192  10.069
  456    HD1  TRP  64           HD       TRP  64 -12.426  -2.801  10.314
  457    HE1  TRP  64           1HE      TRP  64 -14.664  -2.019   9.296
  458    HE3  TRP  64           3HE      TRP  64 -12.923  -6.268   6.598
  459    HZ2  TRP  64           2HZ      TRP  64 -16.392  -2.750   7.235
  460    HZ3  TRP  64           3HZ      TRP  64 -14.910  -6.154   5.142
  461    HH2  TRP  64           HH       TRP  64 -16.602  -4.419   5.469
  462    H    LYS  65           H        LYS  65 -11.842  -3.774   6.714
  463    HA   LYS  65           HA       LYS  65 -11.382  -5.404   4.544
  464   1HB   LYS  65          2HB       LYS  65 -12.453  -3.532   3.196
  465   2HB   LYS  65          1HB       LYS  65 -13.382  -4.109   4.571
  466   1HG   LYS  65          2HG       LYS  65 -12.171  -2.151   5.809
  467   2HG   LYS  65          1HG       LYS  65 -11.994  -1.522   4.168
  468   1HD   LYS  65          2HD       LYS  65 -14.389  -1.768   5.849
  469   2HD   LYS  65          1HD       LYS  65 -14.035  -0.643   4.536
  470   1HE   LYS  65          2HE       LYS  65 -14.421  -2.556   2.944
  471   2HE   LYS  65          1HE       LYS  65 -15.021  -3.480   4.320
  472   1HZ   LYS  65          1HZ       LYS  65 -16.143  -0.845   3.569
  473   2HZ   LYS  65          2HZ       LYS  65 -16.812  -2.008   4.599
  474   3HZ   LYS  65          3HZ       LYS  65 -16.737  -2.297   2.934
  475    H    ARG  66           H        ARG  66  -9.907  -2.364   5.457
  476    HA   ARG  66           HA       ARG  66  -8.380  -1.908   3.148
  477   1HB   ARG  66          2HB       ARG  66  -8.343  -1.004   5.970
  478   2HB   ARG  66          1HB       ARG  66  -6.829  -0.849   5.094
  479   1HG   ARG  66          2HG       ARG  66  -8.868   0.133   3.409
  480   2HG   ARG  66          1HG       ARG  66  -9.128   0.824   5.012
  481   1HD   ARG  66          2HD       ARG  66  -7.442   1.862   3.180
  482   2HD   ARG  66          1HD       ARG  66  -7.250   2.066   4.921
  483    HE   ARG  66           HE       ARG  66  -5.952  -0.234   3.688
  484   1HH1  ARG  66          1HH1      ARG  66  -5.688   2.977   5.009
  485   2HH1  ARG  66          2HH1      ARG  66  -3.975   2.879   5.247
  486   1HH2  ARG  66          1HH2      ARG  66  -3.697  -0.376   3.999
  487   2HH2  ARG  66          2HH2      ARG  66  -2.842   0.972   4.672
  488    H    ASN  67           H        ASN  67  -7.760  -3.747   6.110
  489    HA   ASN  67           HA       ASN  67  -5.119  -4.452   5.502
  490   1HB   ASN  67          2HB       ASN  67  -7.163  -5.110   7.497
  491   2HB   ASN  67          1HB       ASN  67  -6.038  -6.418   7.160
  492   1HD2  ASN  67          1HD2      ASN  67  -6.423  -4.706   9.537
  493   2HD2  ASN  67          2HD2      ASN  67  -4.872  -4.015   9.860
  494    H    GLU  68           H        GLU  68  -8.244  -6.061   5.006
  495    HA   GLU  68           HA       GLU  68  -7.216  -8.439   4.001
  496   1HB   GLU  68          2HB       GLU  68  -9.900  -7.171   3.509
  497   2HB   GLU  68          1HB       GLU  68  -9.493  -8.838   3.126
  498   1HG   GLU  68          2HG       GLU  68  -8.864  -8.270   5.867
  499   2HG   GLU  68          1HG       GLU  68 -10.536  -7.834   5.516
  500    H    LEU  69           H        LEU  69  -7.501  -5.382   2.657
  501    HA   LEU  69           HA       LEU  69  -7.338  -6.330  -0.099
  502   1HB   LEU  69          2HB       LEU  69  -7.553  -3.545   1.050
  503   2HB   LEU  69          1HB       LEU  69  -7.472  -3.908  -0.670
  504    HG   LEU  69           HG       LEU  69  -9.683  -4.612   1.252
  505   1HD1  LEU  69          1HD1      LEU  69  -9.262  -2.608  -0.860
  506   2HD1  LEU  69          2HD1      LEU  69 -10.303  -2.560   0.562
  507   3HD1  LEU  69          3HD1      LEU  69 -10.825  -3.425  -0.884
  508   1HD2  LEU  69          1HD2      LEU  69  -8.798  -6.151  -0.899
  509   2HD2  LEU  69          2HD2      LEU  69 -10.217  -5.285  -1.491
  510   3HD2  LEU  69          3HD2      LEU  69 -10.336  -6.290  -0.045
  511    H    LYS  70           H        LYS  70  -5.527  -4.182   2.081
  512    HA   LYS  70           HA       LYS  70  -3.365  -3.638   0.492
  513   1HB   LYS  70          2HB       LYS  70  -2.550  -2.688   2.356
  514   2HB   LYS  70          1HB       LYS  70  -4.091  -3.112   3.067
  515   1HG   LYS  70          2HG       LYS  70  -2.977  -5.323   3.711
  516   2HG   LYS  70          1HG       LYS  70  -1.457  -4.501   3.355
  517   1HD   LYS  70          2HD       LYS  70  -3.522  -3.768   5.420
  518   2HD   LYS  70          1HD       LYS  70  -1.844  -4.245   5.685
  519   1HE   LYS  70          2HE       LYS  70  -1.018  -2.209   4.878
  520   2HE   LYS  70          1HE       LYS  70  -2.543  -1.801   4.094
  521   1HZ   LYS  70          1HZ       LYS  70  -1.678  -1.198   6.718
  522   2HZ   LYS  70          2HZ       LYS  70  -3.107  -2.100   6.784
  523   3HZ   LYS  70          3HZ       LYS  70  -3.059  -0.657   5.903
  524    H    LYS  71           H        LYS  71  -4.048  -6.490   2.414
  525    HA   LYS  71           HA       LYS  71  -1.539  -7.696   2.048
  526   1HB   LYS  71          2HB       LYS  71  -4.008  -8.372   3.327
  527   2HB   LYS  71          1HB       LYS  71  -3.482  -9.730   2.342
  528   1HG   LYS  71          2HG       LYS  71  -1.469  -9.952   3.530
  529   2HG   LYS  71          1HG       LYS  71  -1.648  -8.368   4.286
  530   1HD   LYS  71          2HD       LYS  71  -2.779 -10.963   5.050
  531   2HD   LYS  71          1HD       LYS  71  -2.430  -9.543   6.037
  532   1HE   LYS  71          2HE       LYS  71  -4.471  -8.500   5.402
  533   2HE   LYS  71          1HE       LYS  71  -4.771  -9.707   4.153
  534   1HZ   LYS  71          1HZ       LYS  71  -4.751 -11.342   6.125
  535   2HZ   LYS  71          2HZ       LYS  71  -6.126 -10.392   5.869
  536   3HZ   LYS  71          3HZ       LYS  71  -5.020  -9.968   7.076
  537    H    LYS  72           H        LYS  72  -4.304  -7.363   0.146
  538    HA   LYS  72           HA       LYS  72  -3.813  -9.463  -1.647
  539   1HB   LYS  72          2HB       LYS  72  -5.777  -7.353  -1.358
  540   2HB   LYS  72          1HB       LYS  72  -5.308  -7.581  -3.037
  541   1HG   LYS  72          2HG       LYS  72  -6.510  -9.436  -3.203
  542   2HG   LYS  72          1HG       LYS  72  -5.793 -10.111  -1.738
  543   1HD   LYS  72          2HD       LYS  72  -7.606  -7.983  -1.069
  544   2HD   LYS  72          1HD       LYS  72  -8.415  -9.174  -2.089
  545   1HE   LYS  72          2HE       LYS  72  -6.772  -9.998   0.282
  546   2HE   LYS  72          1HE       LYS  72  -8.461  -9.523   0.456
  547   1HZ   LYS  72          1HZ       LYS  72  -9.074 -11.262  -1.104
  548   2HZ   LYS  72          2HZ       LYS  72  -8.234 -11.913   0.211
  549   3HZ   LYS  72          3HZ       LYS  72  -7.453 -11.716  -1.276
  550    H    ALA  73           H        ALA  73  -2.652  -6.353  -1.175
  551    HA   ALA  73           HA       ALA  73  -1.376  -6.261  -3.773
  552   1HB   ALA  73          1HB       ALA  73  -2.763  -4.310  -2.954
  553   2HB   ALA  73          2HB       ALA  73  -1.135  -3.930  -3.518
  554   3HB   ALA  73          3HB       ALA  73  -1.473  -4.016  -1.789
  555    H    SER  74           H        SER  74  -0.797  -6.878  -0.477
  556    HA   SER  74           HA       SER  74   1.124  -7.691   0.499
  557   1HB   SER  74          2HB       SER  74   1.903  -7.531  -2.229
  558   2HB   SER  74          1HB       SER  74   3.193  -6.804  -1.271
  559    HG   SER  74           HG       SER  74   2.659  -8.888   0.072
  560    H    LEU  75           H        LEU  75   0.119  -4.729   0.045
  561    HA   LEU  75           HA       LEU  75   2.421  -3.189   0.832
  562   1HB   LEU  75          2HB       LEU  75  -0.475  -2.350   0.885
  563   2HB   LEU  75          1HB       LEU  75   0.932  -1.303   0.862
  564    HG   LEU  75           HG       LEU  75  -0.197  -2.956  -1.377
  565   1HD1  LEU  75          1HD1      LEU  75  -0.406  -0.921  -2.517
  566   2HD1  LEU  75          2HD1      LEU  75   0.674  -0.085  -1.400
  567   3HD1  LEU  75          3HD1      LEU  75  -0.937  -0.571  -0.871
  568   1HD2  LEU  75          1HD2      LEU  75   2.014  -3.487  -1.701
  569   2HD2  LEU  75          2HD2      LEU  75   2.594  -1.983  -0.985
  570   3HD2  LEU  75          3HD2      LEU  75   1.891  -1.977  -2.603
  571    H    PHE  76           H        PHE  76   0.230  -5.169   2.428
  572    HA   PHE  76           HA       PHE  76  -0.370  -3.969   4.805
  573   1HB   PHE  76          2HB       PHE  76  -0.836  -6.388   3.938
  574   2HB   PHE  76          1HB       PHE  76   0.638  -6.794   4.811
  575    HD1  PHE  76           1HD      PHE  76  -2.840  -6.541   5.046
  576    HD2  PHE  76           2HD      PHE  76   0.717  -5.893   7.292
  577    HE1  PHE  76           1HE      PHE  76  -4.131  -6.714   7.132
  578    HE2  PHE  76           2HE      PHE  76  -0.568  -6.066   9.383
  579    HZ   PHE  76           HZ       PHE  76  -2.995  -6.477   9.304
  Start of MODEL    2
    1    HA   PRO   9           HA       PRO   9   1.434  11.115   7.311
    2   1HB   PRO   9          2HB       PRO   9  -0.599  10.051   5.655
    3   2HB   PRO   9          1HB       PRO   9   0.221   9.248   7.000
    4   1HG   PRO   9          2HG       PRO   9  -2.379  10.686   6.956
    5   2HG   PRO   9          1HG       PRO   9  -1.878   9.294   7.931
    6   1HD   PRO   9          2HD       PRO   9  -2.087  11.713   9.031
    7   2HD   PRO   9          1HD       PRO   9  -0.758  10.627   9.485
    8    H    GLY  10           H        GLY  10   2.220  11.269   5.176
    9   1HA   GLY  10          2HA       GLY  10   0.871  12.688   3.116
   10   2HA   GLY  10          1HA       GLY  10   2.013  13.742   3.939
   11    H    LEU  11           H        LEU  11   2.286  10.287   3.196
   12    HA   LEU  11           HA       LEU  11   4.938  10.570   2.268
   13   1HB   LEU  11          2HB       LEU  11   3.284   8.184   1.580
   14   2HB   LEU  11          1HB       LEU  11   4.974   8.269   2.037
   15    HG   LEU  11           HG       LEU  11   3.786   9.109   4.335
   16   1HD1  LEU  11          1HD1      LEU  11   1.779   7.653   2.788
   17   2HD1  LEU  11          2HD1      LEU  11   1.590   8.707   4.189
   18   3HD1  LEU  11          3HD1      LEU  11   2.040   7.016   4.412
   19   1HD2  LEU  11          1HD2      LEU  11   5.363   7.027   3.530
   20   2HD2  LEU  11          2HD2      LEU  11   3.937   6.196   4.149
   21   3HD2  LEU  11          3HD2      LEU  11   4.824   7.317   5.183
   22    H    GLN  12           H        GLN  12   5.769  10.374   0.165
   23    HA   GLN  12           HA       GLN  12   4.114  11.474  -1.863
   24   1HB   GLN  12          2HB       GLN  12   6.177  12.316  -2.219
   25   2HB   GLN  12          1HB       GLN  12   6.964  10.970  -1.414
   26   1HG   GLN  12          2HG       GLN  12   7.772  10.700  -3.505
   27   2HG   GLN  12          1HG       GLN  12   6.326   9.708  -3.630
   28   1HE2  GLN  12          1HE2      GLN  12   5.071  10.081  -5.321
   29   2HE2  GLN  12          2HE2      GLN  12   5.025  11.534  -6.252
   30    H    ILE  13           H        ILE  13   3.447  10.514  -3.789
   31    HA   ILE  13           HA       ILE  13   2.750   7.780  -3.633
   32    HB   ILE  13           HB       ILE  13   2.674   9.677  -5.971
   33   1HG1  ILE  13          2HG1      ILE  13   1.384  10.204  -3.811
   34   2HG1  ILE  13          1HG1      ILE  13   0.500  10.239  -5.328
   35   1HG2  ILE  13          1HG2      ILE  13   1.858   6.849  -5.709
   36   2HG2  ILE  13          2HG2      ILE  13   2.324   7.781  -7.132
   37   3HG2  ILE  13          3HG2      ILE  13   0.699   7.935  -6.474
   38   1HD1  ILE  13          1HD1      ILE  13   0.435   7.625  -4.087
   39   2HD1  ILE  13          2HD1      ILE  13  -0.889   8.642  -4.657
   40   3HD1  ILE  13          3HD1      ILE  13  -0.220   8.888  -3.044
   41    H    TYR  14           H        TYR  14   3.631   6.002  -4.465
   42    HA   TYR  14           HA       TYR  14   6.016   6.275  -6.167
   43   1HB   TYR  14          2HB       TYR  14   5.499   4.116  -4.108
   44   2HB   TYR  14          1HB       TYR  14   6.932   4.273  -5.116
   45    HD1  TYR  14           1HD      TYR  14   7.052   7.380  -4.774
   46    HD2  TYR  14           2HD      TYR  14   6.731   4.135  -2.042
   47    HE1  TYR  14           1HE      TYR  14   8.132   8.743  -3.036
   48    HE2  TYR  14           2HE      TYR  14   7.806   5.490  -0.297
   49    HH   TYR  14           HH       TYR  14   7.976   8.498  -0.145
   50    HA   PRO  15           HA       PRO  15   3.798   3.653  -8.935
   51   1HB   PRO  15          2HB       PRO  15   6.199   2.562 -10.102
   52   2HB   PRO  15          1HB       PRO  15   5.154   3.834 -10.735
   53   1HG   PRO  15          2HG       PRO  15   7.723   4.242  -9.850
   54   2HG   PRO  15          1HG       PRO  15   6.474   5.498  -9.903
   55   1HD   PRO  15          2HD       PRO  15   7.440   3.878  -7.580
   56   2HD   PRO  15          1HD       PRO  15   6.985   5.594  -7.650
   57    H    TYR  16           H        TYR  16   3.964   2.442  -6.462
   58    HA   TYR  16           HA       TYR  16   3.781   0.417  -5.430
   59   1HB   TYR  16          2HB       TYR  16   2.243   0.030  -7.338
   60   2HB   TYR  16          1HB       TYR  16   3.584  -0.665  -8.235
   61    HD1  TYR  16           1HD      TYR  16   1.679  -1.119  -5.050
   62    HD2  TYR  16           2HD      TYR  16   3.983  -2.951  -8.120
   63    HE1  TYR  16           1HE      TYR  16   1.145  -3.325  -4.118
   64    HE2  TYR  16           2HE      TYR  16   3.452  -5.157  -7.202
   65    HH   TYR  16           HH       TYR  16   2.464  -5.750  -4.277
   66    H    GLU  17           H        GLU  17   5.605  -0.350  -8.315
   67    HA   GLU  17           HA       GLU  17   7.177  -2.386  -7.533
   68   1HB   GLU  17          2HB       GLU  17   8.099  -0.041  -9.195
   69   2HB   GLU  17          1HB       GLU  17   8.862  -1.625  -9.149
   70   1HG   GLU  17          2HG       GLU  17   6.035  -1.789  -9.762
   71   2HG   GLU  17          1HG       GLU  17   6.915  -0.783 -10.911
   72    H    MET  18           H        MET  18   7.493   0.914  -6.529
   73    HA   MET  18           HA       MET  18  10.122   0.764  -5.512
   74   1HB   MET  18          2HB       MET  18   7.836   2.624  -5.262
   75   2HB   MET  18          1HB       MET  18   9.020   2.679  -3.964
   76   1HG   MET  18          2HG       MET  18  10.643   2.719  -6.123
   77   2HG   MET  18          1HG       MET  18   9.226   3.556  -6.757
   78   1HE   MET  18          1HE       MET  18  12.220   4.074  -6.191
   79   2HE   MET  18          2HE       MET  18  12.631   4.843  -4.658
   80   3HE   MET  18          3HE       MET  18  12.160   5.830  -6.041
   81    H    LEU  19           H        LEU  19   7.080  -0.311  -4.391
   82    HA   LEU  19           HA       LEU  19   8.199  -1.029  -1.766
   83   1HB   LEU  19          2HB       LEU  19   5.292  -0.746  -2.470
   84   2HB   LEU  19          1HB       LEU  19   5.994  -0.877  -0.867
   85    HG   LEU  19           HG       LEU  19   6.754   1.449  -2.571
   86   1HD1  LEU  19          1HD1      LEU  19   4.665   2.172  -2.792
   87   2HD1  LEU  19          2HD1      LEU  19   4.572   2.271  -1.032
   88   3HD1  LEU  19          3HD1      LEU  19   4.045   0.808  -1.857
   89   1HD2  LEU  19          1HD2      LEU  19   7.761   1.972  -0.661
   90   2HD2  LEU  19          2HD2      LEU  19   6.999   0.620   0.174
   91   3HD2  LEU  19          3HD2      LEU  19   6.171   2.174   0.071
   92    H    VAL  20           H        VAL  20   7.098  -2.219  -4.735
   93    HA   VAL  20           HA       VAL  20   5.632  -4.414  -4.474
   94    HB   VAL  20           HB       VAL  20   7.994  -3.830  -6.152
   95   1HG1  VAL  20          1HG1      VAL  20   7.015  -6.626  -5.678
   96   2HG1  VAL  20          2HG1      VAL  20   8.675  -6.030  -5.667
   97   3HG1  VAL  20          3HG1      VAL  20   7.790  -6.150  -7.189
   98   1HG2  VAL  20          1HG2      VAL  20   5.598  -3.301  -6.674
   99   2HG2  VAL  20          2HG2      VAL  20   5.338  -5.035  -6.870
  100   3HG2  VAL  20          3HG2      VAL  20   6.465  -4.187  -7.926
  101    H    VAL  21           H        VAL  21   5.889  -6.629  -4.040
  102    HA   VAL  21           HA       VAL  21   7.269  -7.248  -1.694
  103    HB   VAL  21           HB       VAL  21   6.290  -9.214  -3.768
  104   1HG1  VAL  21          1HG1      VAL  21   7.820 -10.007  -1.899
  105   2HG1  VAL  21          2HG1      VAL  21   6.269 -10.831  -2.058
  106   3HG1  VAL  21          3HG1      VAL  21   6.498  -9.621  -0.797
  107   1HG2  VAL  21          1HG2      VAL  21   4.725  -7.343  -2.605
  108   2HG2  VAL  21          2HG2      VAL  21   4.624  -8.639  -1.412
  109   3HG2  VAL  21          3HG2      VAL  21   4.161  -8.943  -3.087
  110    H    THR  22           H        THR  22   9.373  -7.389  -1.473
  111    HA   THR  22           HA       THR  22  11.316  -7.425  -3.380
  112    HB   THR  22           HB       THR  22  12.231  -8.939  -1.145
  113    HG1  THR  22           1HG      THR  22  10.843  -6.596  -0.409
  114   1HG2  THR  22          1HG2      THR  22  13.914  -7.559  -1.486
  115   2HG2  THR  22          2HG2      THR  22  12.941  -6.258  -0.802
  116   3HG2  THR  22          3HG2      THR  22  12.921  -6.553  -2.540
  117    H    ASN  23           H        ASN  23  13.050  -9.262  -3.497
  118    HA   ASN  23           HA       ASN  23  12.280 -11.943  -3.415
  119   1HB   ASN  23          2HB       ASN  23  11.275 -10.510  -5.687
  120   2HB   ASN  23          1HB       ASN  23  12.465 -11.688  -6.233
  121   1HD2  ASN  23          1HD2      ASN  23  11.656 -13.580  -6.726
  122   2HD2  ASN  23          2HD2      ASN  23  10.247 -14.303  -6.035
  123    H    LYS  24           H        LYS  24  14.282 -12.483  -2.757
  124    HA   LYS  24           HA       LYS  24  16.483 -13.043  -2.900
  125   1HB   LYS  24          2HB       LYS  24  16.522 -12.149  -5.771
  126   2HB   LYS  24          1HB       LYS  24  17.479 -13.407  -5.002
  127   1HG   LYS  24          2HG       LYS  24  14.544 -13.505  -5.663
  128   2HG   LYS  24          1HG       LYS  24  15.844 -14.429  -6.418
  129   1HD   LYS  24          2HD       LYS  24  16.106 -15.006  -3.725
  130   2HD   LYS  24          1HD       LYS  24  14.359 -14.951  -3.971
  131   1HE   LYS  24          2HE       LYS  24  15.229 -17.206  -4.314
  132   2HE   LYS  24          1HE       LYS  24  14.559 -16.546  -5.806
  133   1HZ   LYS  24          1HZ       LYS  24  16.948 -17.707  -5.646
  134   2HZ   LYS  24          2HZ       LYS  24  17.397 -16.095  -5.392
  135   3HZ   LYS  24          3HZ       LYS  24  16.561 -16.529  -6.798
  136    H    GLY  25           H        GLY  25  16.338 -10.912  -1.577
  137   1HA   GLY  25          2HA       GLY  25  18.474  -9.483  -1.394
  138   2HA   GLY  25          1HA       GLY  25  17.889  -8.787  -2.898
  139    H    ARG  26           H        ARG  26  17.201  -9.188   0.528
  140    HA   ARG  26           HA       ARG  26  14.873  -7.700   0.723
  141   1HB   ARG  26          2HB       ARG  26  17.119  -7.930   2.730
  142   2HB   ARG  26          1HB       ARG  26  15.499  -7.346   3.086
  143   1HG   ARG  26          2HG       ARG  26  15.135  -9.468   3.701
  144   2HG   ARG  26          1HG       ARG  26  14.926  -9.738   1.969
  145   1HD   ARG  26          2HD       ARG  26  16.962 -10.759   1.743
  146   2HD   ARG  26          1HD       ARG  26  17.675  -9.878   3.093
  147    HE   ARG  26           HE       ARG  26  16.278 -12.390   3.201
  148   1HH1  ARG  26          1HH1      ARG  26  17.241  -9.569   5.016
  149   2HH1  ARG  26          2HH1      ARG  26  17.161 -10.373   6.548
  150   1HH2  ARG  26          1HH2      ARG  26  16.171 -13.448   5.214
  151   2HH2  ARG  26          2HH2      ARG  26  16.552 -12.575   6.660
  152    H    THR  27           H        THR  27  15.033  -5.909  -0.680
  153    HA   THR  27           HA       THR  27  17.049  -3.933  -0.336
  154    HB   THR  27           HB       THR  27  16.337  -3.783  -2.477
  155    HG1  THR  27           1HG      THR  27  15.988  -1.736  -1.652
  156   1HG2  THR  27          1HG2      THR  27  13.855  -3.833  -3.107
  157   2HG2  THR  27          2HG2      THR  27  13.611  -4.529  -1.505
  158   3HG2  THR  27          3HG2      THR  27  14.638  -5.354  -2.678
  159    H    LYS  28           H        LYS  28  16.585  -1.680   0.131
  160    HA   LYS  28           HA       LYS  28  15.036  -1.477   2.576
  161   1HB   LYS  28          2HB       LYS  28  17.049   0.249   1.189
  162   2HB   LYS  28          1HB       LYS  28  15.992   0.964   2.399
  163   1HG   LYS  28          2HG       LYS  28  16.887  -1.271   3.683
  164   2HG   LYS  28          1HG       LYS  28  18.290  -0.806   2.719
  165   1HD   LYS  28          2HD       LYS  28  16.771   1.094   4.498
  166   2HD   LYS  28          1HD       LYS  28  18.205   0.203   5.013
  167   1HE   LYS  28          2HE       LYS  28  19.610   1.439   3.702
  168   2HE   LYS  28          1HE       LYS  28  18.368   1.772   2.496
  169   1HZ   LYS  28          1HZ       LYS  28  19.199   3.629   4.107
  170   2HZ   LYS  28          2HZ       LYS  28  18.081   2.939   5.171
  171   3HZ   LYS  28          3HZ       LYS  28  17.566   3.538   3.676
  172    H    LEU  29           H        LEU  29  13.372   0.031   2.940
  173    HA   LEU  29           HA       LEU  29  11.701   0.484   0.668
  174   1HB   LEU  29          2HB       LEU  29  11.432   0.812   3.614
  175   2HB   LEU  29          1HB       LEU  29  10.324   1.695   2.574
  176    HG   LEU  29           HG       LEU  29  10.661  -1.300   2.740
  177   1HD1  LEU  29          1HD1      LEU  29   8.674   0.672   3.731
  178   2HD1  LEU  29          2HD1      LEU  29   9.278  -0.807   4.482
  179   3HD1  LEU  29          3HD1      LEU  29   8.088  -0.899   3.183
  180   1HD2  LEU  29          1HD2      LEU  29   9.166   0.416   0.782
  181   2HD2  LEU  29          2HD2      LEU  29   8.668  -1.238   1.137
  182   3HD2  LEU  29          3HD2      LEU  29  10.267  -0.924   0.463
  183    HA   PRO  30           HA       PRO  30  12.611   4.631  -0.475
  184   1HB   PRO  30          2HB       PRO  30   9.734   5.254  -0.012
  185   2HB   PRO  30          1HB       PRO  30  10.730   5.536  -1.446
  186   1HG   PRO  30          2HG       PRO  30   8.959   3.553  -1.402
  187   2HG   PRO  30          1HG       PRO  30  10.546   3.336  -2.166
  188   1HD   PRO  30          2HD       PRO  30   9.556   2.345   0.472
  189   2HD   PRO  30          1HD       PRO  30  10.636   1.558  -0.697
  190    HA   PRO  31           HA       PRO  31  13.194   7.024   3.195
  191   1HB   PRO  31          2HB       PRO  31  12.754   9.451   1.557
  192   2HB   PRO  31          1HB       PRO  31  14.169   8.970   2.499
  193   1HG   PRO  31          2HG       PRO  31  14.188   8.876  -0.173
  194   2HG   PRO  31          1HG       PRO  31  15.016   7.647   0.801
  195   1HD   PRO  31          2HD       PRO  31  12.391   7.484  -0.625
  196   2HD   PRO  31          1HD       PRO  31  13.666   6.258  -0.464
  197    H    GLY  32           H        GLY  32  11.386   6.675   4.448
  198   1HA   GLY  32          2HA       GLY  32   9.657   7.700   5.688
  199   2HA   GLY  32          1HA       GLY  32   9.369   8.792   4.342
  200    H    VAL  33           H        VAL  33   9.143   5.338   5.164
  201    HA   VAL  33           HA       VAL  33   6.686   5.220   3.636
  202    HB   VAL  33           HB       VAL  33   8.803   3.154   3.885
  203   1HG1  VAL  33          1HG1      VAL  33   6.008   2.855   2.844
  204   2HG1  VAL  33          2HG1      VAL  33   6.754   1.962   4.169
  205   3HG1  VAL  33          3HG1      VAL  33   7.300   1.703   2.511
  206   1HG2  VAL  33          1HG2      VAL  33   8.197   5.123   1.975
  207   2HG2  VAL  33          2HG2      VAL  33   7.870   3.554   1.242
  208   3HG2  VAL  33          3HG2      VAL  33   9.465   3.902   1.912
  209    H    ASP  34           H        ASP  34   5.054   3.887   4.343
  210    HA   ASP  34           HA       ASP  34   5.116   3.449   7.233
  211   1HB   ASP  34          2HB       ASP  34   3.432   4.948   5.696
  212   2HB   ASP  34          1HB       ASP  34   2.523   3.442   5.843
  213    H    ARG  35           H        ARG  35   5.797   1.345   7.420
  214    HA   ARG  35           HA       ARG  35   5.255  -0.802   5.783
  215   1HB   ARG  35          2HB       ARG  35   6.511  -0.430   8.227
  216   2HB   ARG  35          1HB       ARG  35   5.209  -1.552   8.602
  217   1HG   ARG  35          2HG       ARG  35   6.230  -3.246   7.578
  218   2HG   ARG  35          1HG       ARG  35   6.644  -2.261   6.173
  219   1HD   ARG  35          2HD       ARG  35   8.714  -2.850   7.071
  220   2HD   ARG  35          1HD       ARG  35   8.438  -1.217   7.677
  221    HE   ARG  35           HE       ARG  35   7.446  -2.788   9.645
  222   1HH1  ARG  35          1HH1      ARG  35  10.507  -2.694   7.971
  223   2HH1  ARG  35          2HH1      ARG  35  11.408  -3.286   9.326
  224   1HH2  ARG  35          1HH2      ARG  35   8.630  -3.566  11.429
  225   2HH2  ARG  35          2HH2      ARG  35  10.343  -3.782  11.289
  226    H    MET  36           H        MET  36   3.278   0.529   8.378
  227    HA   MET  36           HA       MET  36   1.237  -1.476   7.954
  228   1HB   MET  36          2HB       MET  36   2.052   0.178  10.146
  229   2HB   MET  36          1HB       MET  36   0.347   0.446   9.816
  230   1HG   MET  36          2HG       MET  36  -0.248  -1.662  10.416
  231   2HG   MET  36          1HG       MET  36   1.298  -2.356   9.931
  232   1HE   MET  36          1HE       MET  36   3.569  -2.416  12.139
  233   2HE   MET  36          2HE       MET  36   3.566  -0.722  12.630
  234   3HE   MET  36          3HE       MET  36   3.379  -1.146  10.929
  235    H    ARG  37           H        ARG  37   2.019   1.095   6.272
  236    HA   ARG  37           HA       ARG  37  -0.679   1.578   5.375
  237   1HB   ARG  37          2HB       ARG  37   0.271   3.272   7.327
  238   2HB   ARG  37          1HB       ARG  37   0.676   4.137   5.852
  239   1HG   ARG  37          2HG       ARG  37  -1.416   4.954   6.300
  240   2HG   ARG  37          1HG       ARG  37  -1.794   3.624   5.203
  241   1HD   ARG  37          2HD       ARG  37  -2.689   2.328   6.863
  242   2HD   ARG  37          1HD       ARG  37  -1.686   3.052   8.117
  243    HE   ARG  37           HE       ARG  37  -4.274   3.940   7.238
  244   1HH1  ARG  37          1HH1      ARG  37  -1.294   4.891   8.784
  245   2HH1  ARG  37          2HH1      ARG  37  -2.009   6.225   9.623
  246   1HH2  ARG  37          1HH2      ARG  37  -5.217   5.695   8.341
  247   2HH2  ARG  37          2HH2      ARG  37  -4.236   6.681   9.374
  248    H    LEU  38           H        LEU  38   0.996   0.316   3.884
  249    HA   LEU  38           HA       LEU  38   2.780   1.920   2.366
  250   1HB   LEU  38          2HB       LEU  38   1.919  -0.860   2.499
  251   2HB   LEU  38          1HB       LEU  38   2.192  -0.326   0.860
  252    HG   LEU  38           HG       LEU  38   4.238  -1.245   1.462
  253   1HD1  LEU  38          1HD1      LEU  38   4.435   1.682   2.118
  254   2HD1  LEU  38          2HD1      LEU  38   4.594   0.946   0.525
  255   3HD1  LEU  38          3HD1      LEU  38   5.805   0.629   1.769
  256   1HD2  LEU  38          1HD2      LEU  38   3.421  -0.469   4.134
  257   2HD2  LEU  38          2HD2      LEU  38   5.124  -0.127   3.833
  258   3HD2  LEU  38          3HD2      LEU  38   4.501  -1.761   3.611
  259    H    GLU  39           H        GLU  39  -0.513   0.988   2.101
  260    HA   GLU  39           HA       GLU  39  -1.072   1.419  -0.583
  261   1HB   GLU  39          2HB       GLU  39  -2.820   1.972   1.819
  262   2HB   GLU  39          1HB       GLU  39  -3.392   1.896   0.157
  263   1HG   GLU  39          2HG       GLU  39  -3.829  -0.240   0.667
  264   2HG   GLU  39          1HG       GLU  39  -2.114  -0.469   0.337
  265    H    ARG  40           H        ARG  40  -0.326   3.713   1.890
  266    HA   ARG  40           HA       ARG  40  -1.492   5.975   0.667
  267   1HB   ARG  40          2HB       ARG  40   0.791   5.900   2.632
  268   2HB   ARG  40          1HB       ARG  40  -0.228   7.287   2.269
  269   1HG   ARG  40          2HG       ARG  40  -1.888   5.103   3.046
  270   2HG   ARG  40          1HG       ARG  40  -0.604   5.304   4.238
  271   1HD   ARG  40          2HD       ARG  40  -1.424   7.263   4.972
  272   2HD   ARG  40          1HD       ARG  40  -1.833   7.811   3.347
  273    HE   ARG  40           HE       ARG  40  -3.697   5.918   3.840
  274   1HH1  ARG  40          1HH1      ARG  40  -2.628   8.725   5.617
  275   2HH1  ARG  40          2HH1      ARG  40  -4.171   9.002   6.352
  276   1HH2  ARG  40          1HH2      ARG  40  -5.727   6.281   4.806
  277   2HH2  ARG  40          2HH2      ARG  40  -5.931   7.615   5.893
  278    H    HIS  41           H        HIS  41   1.097   4.123  -0.258
  279    HA   HIS  41           HA       HIS  41   2.559   6.346  -1.483
  280   1HB   HIS  41          2HB       HIS  41   3.223   3.426  -1.162
  281   2HB   HIS  41          1HB       HIS  41   4.213   4.546  -2.091
  282    HD1  HIS  41           1HD      HIS  41   5.345   6.515  -0.679
  283    HD2  HIS  41           2HD      HIS  41   3.680   3.420   1.518
  284    HE1  HIS  41           1HE      HIS  41   6.339   6.710   1.626
  285    HE2  HIS  41           2HE      HIS  41   5.085   5.006   2.982
  286    H    LEU  42           H        LEU  42   0.706   3.460  -2.285
  287    HA   LEU  42           HA       LEU  42   1.234   3.207  -4.962
  288   1HB   LEU  42          2HB       LEU  42  -0.944   2.531  -3.126
  289   2HB   LEU  42          1HB       LEU  42  -1.429   2.667  -4.794
  290    HG   LEU  42           HG       LEU  42   0.353   0.660  -3.505
  291   1HD1  LEU  42          1HD1      LEU  42  -2.037   0.770  -5.261
  292   2HD1  LEU  42          2HD1      LEU  42  -1.742  -0.203  -3.816
  293   3HD1  LEU  42          3HD1      LEU  42  -0.992  -0.649  -5.348
  294   1HD2  LEU  42          1HD2      LEU  42   0.786   1.879  -6.152
  295   2HD2  LEU  42          2HD2      LEU  42   0.722   0.119  -6.135
  296   3HD2  LEU  42          3HD2      LEU  42   1.895   0.968  -5.128
  297    H    SER  43           H        SER  43   0.658   4.213  -6.773
  298    HA   SER  43           HA       SER  43  -0.558   6.800  -6.598
  299   1HB   SER  43          2HB       SER  43   1.062   5.456  -8.479
  300   2HB   SER  43          1HB       SER  43  -0.452   5.873  -9.281
  301    HG   SER  43           HG       SER  43   1.143   7.541  -9.402
  302    H    ALA  44           H        ALA  44  -2.421   7.366  -7.938
  303    HA   ALA  44           HA       ALA  44  -4.645   5.807  -7.302
  304   1HB   ALA  44          1HB       ALA  44  -4.436   7.814  -9.539
  305   2HB   ALA  44          2HB       ALA  44  -4.720   8.228  -7.846
  306   3HB   ALA  44          3HB       ALA  44  -5.918   7.286  -8.738
  307    H    GLU  45           H        GLU  45  -2.554   5.799 -10.062
  308    HA   GLU  45           HA       GLU  45  -4.176   4.197 -11.710
  309   1HB   GLU  45          2HB       GLU  45  -2.708   5.259 -13.072
  310   2HB   GLU  45          1HB       GLU  45  -1.508   5.414 -11.798
  311   1HG   GLU  45          2HG       GLU  45  -0.546   3.379 -12.270
  312   2HG   GLU  45          1HG       GLU  45  -1.986   2.764 -13.078
  313    H    ASP  46           H        ASP  46  -1.830   3.663  -9.206
  314    HA   ASP  46           HA       ASP  46  -1.558   0.899  -9.868
  315   1HB   ASP  46          2HB       ASP  46  -0.400   2.526  -7.619
  316   2HB   ASP  46          1HB       ASP  46  -0.144   0.788  -7.784
  317    H    PHE  47           H        PHE  47  -3.044   2.819  -7.255
  318    HA   PHE  47           HA       PHE  47  -3.861   0.635  -5.721
  319   1HB   PHE  47          2HB       PHE  47  -4.011   2.932  -4.881
  320   2HB   PHE  47          1HB       PHE  47  -5.267   3.282  -6.071
  321    HD1  PHE  47           1HD      PHE  47  -7.465   2.193  -5.901
  322    HD2  PHE  47           2HD      PHE  47  -4.501   1.774  -2.881
  323    HE1  PHE  47           1HE      PHE  47  -9.177   1.362  -4.347
  324    HE2  PHE  47           2HE      PHE  47  -6.198   0.941  -1.318
  325    HZ   PHE  47           HZ       PHE  47  -8.549   0.733  -2.058
  326    H    SER  48           H        SER  48  -5.589   2.425  -8.139
  327    HA   SER  48           HA       SER  48  -7.897   0.914  -8.246
  328   1HB   SER  48          2HB       SER  48  -6.548   2.752 -10.153
  329   2HB   SER  48          1HB       SER  48  -7.880   1.764 -10.751
  330    HG   SER  48           HG       SER  48  -8.059   4.015  -9.443
  331    H    ARG  49           H        ARG  49  -4.816   0.305  -9.655
  332    HA   ARG  49           HA       ARG  49  -5.832  -1.904 -11.180
  333   1HB   ARG  49          2HB       ARG  49  -3.174  -0.541 -11.074
  334   2HB   ARG  49          1HB       ARG  49  -3.365  -2.092 -11.880
  335   1HG   ARG  49          2HG       ARG  49  -5.171  -1.022 -13.269
  336   2HG   ARG  49          1HG       ARG  49  -4.664   0.524 -12.584
  337   1HD   ARG  49          2HD       ARG  49  -2.281  -0.384 -13.369
  338   2HD   ARG  49          1HD       ARG  49  -3.293  -1.242 -14.530
  339    HE   ARG  49           HE       ARG  49  -2.714   1.563 -14.484
  340   1HH1  ARG  49          1HH1      ARG  49  -5.060  -0.831 -15.459
  341   2HH1  ARG  49          2HH1      ARG  49  -5.734   0.158 -16.710
  342   1HH2  ARG  49          1HH2      ARG  49  -3.601   2.865 -16.129
  343   2HH2  ARG  49          2HH2      ARG  49  -4.907   2.256 -17.090
  344    H    VAL  50           H        VAL  50  -4.353  -1.279  -8.233
  345    HA   VAL  50           HA       VAL  50  -3.221  -3.890  -7.892
  346    HB   VAL  50           HB       VAL  50  -3.204  -1.364  -6.317
  347   1HG1  VAL  50          1HG1      VAL  50  -1.854  -3.701  -5.132
  348   2HG1  VAL  50          2HG1      VAL  50  -3.587  -3.570  -4.866
  349   3HG1  VAL  50          3HG1      VAL  50  -2.512  -2.273  -4.355
  350   1HG2  VAL  50          1HG2      VAL  50  -1.260  -1.217  -7.305
  351   2HG2  VAL  50          2HG2      VAL  50  -1.456  -2.791  -8.051
  352   3HG2  VAL  50          3HG2      VAL  50  -0.705  -2.648  -6.459
  353    H    PHE  51           H        PHE  51  -5.813  -1.953  -6.416
  354    HA   PHE  51           HA       PHE  51  -6.770  -4.397  -5.120
  355   1HB   PHE  51          2HB       PHE  51  -7.369  -1.523  -4.402
  356   2HB   PHE  51          1HB       PHE  51  -7.906  -2.947  -3.518
  357    HD1  PHE  51           1HD      PHE  51  -6.195  -4.419  -2.437
  358    HD2  PHE  51           2HD      PHE  51  -5.257  -0.569  -4.001
  359    HE1  PHE  51           1HE      PHE  51  -4.145  -4.371  -1.086
  360    HE2  PHE  51           2HE      PHE  51  -3.216  -0.508  -2.629
  361    HZ   PHE  51           HZ       PHE  51  -2.648  -2.416  -1.177
  362    H    ALA  52           H        ALA  52  -7.350  -2.752  -7.840
  363    HA   ALA  52           HA       ALA  52  -9.106  -2.467  -9.248
  364   1HB   ALA  52          1HB       ALA  52  -9.096  -4.987  -8.345
  365   2HB   ALA  52          2HB       ALA  52 -10.216  -4.393  -9.576
  366   3HB   ALA  52          3HB       ALA  52 -10.733  -4.505  -7.890
  367    H    MET  53           H        MET  53  -9.071  -0.719  -7.094
  368    HA   MET  53           HA       MET  53 -11.883  -0.064  -6.886
  369   1HB   MET  53          2HB       MET  53 -10.121  -0.774  -4.624
  370   2HB   MET  53          1HB       MET  53 -11.110   0.659  -4.397
  371   1HG   MET  53          2HG       MET  53 -12.714  -0.702  -3.723
  372   2HG   MET  53          1HG       MET  53 -12.885  -1.188  -5.409
  373   1HE   MET  53          1HE       MET  53  -9.599  -2.077  -3.357
  374   2HE   MET  53          2HE       MET  53 -10.199  -3.437  -2.409
  375   3HE   MET  53          3HE       MET  53 -10.863  -1.825  -2.151
  376    H    SER  54           H        SER  54 -12.140   2.214  -5.953
  377    HA   SER  54           HA       SER  54 -10.274   3.927  -7.304
  378   1HB   SER  54          2HB       SER  54 -11.807   5.749  -6.440
  379   2HB   SER  54          1HB       SER  54 -12.582   4.551  -7.477
  380    HG   SER  54           HG       SER  54 -13.923   4.432  -5.851
  381    HA   PRO  55           HA       PRO  55  -7.371   4.530  -4.022
  382   1HB   PRO  55          2HB       PRO  55  -7.341   7.366  -4.454
  383   2HB   PRO  55          1HB       PRO  55  -6.140   6.182  -4.974
  384   1HG   PRO  55          2HG       PRO  55  -8.406   7.361  -6.485
  385   2HG   PRO  55          1HG       PRO  55  -6.862   6.735  -7.083
  386   1HD   PRO  55          2HD       PRO  55  -9.132   5.403  -7.461
  387   2HD   PRO  55          1HD       PRO  55  -7.624   4.540  -7.082
  388    H    GLU  56           H        GLU  56 -10.119   6.596  -4.457
  389    HA   GLU  56           HA       GLU  56 -10.279   7.638  -1.869
  390   1HB   GLU  56          2HB       GLU  56 -12.667   8.104  -2.655
  391   2HB   GLU  56          1HB       GLU  56 -11.362   8.898  -3.508
  392   1HG   GLU  56          2HG       GLU  56 -11.565   7.379  -5.333
  393   2HG   GLU  56          1HG       GLU  56 -12.691   6.365  -4.429
  394    H    GLU  57           H        GLU  57 -11.850   4.943  -3.524
  395    HA   GLU  57           HA       GLU  57 -13.726   4.178  -1.751
  396   1HB   GLU  57          2HB       GLU  57 -12.058   2.812  -3.723
  397   2HB   GLU  57          1HB       GLU  57 -12.676   1.772  -2.465
  398   1HG   GLU  57          2HG       GLU  57 -14.548   3.610  -3.855
  399   2HG   GLU  57          1HG       GLU  57 -14.006   2.150  -4.681
  400    H    PHE  58           H        PHE  58 -10.354   3.610  -1.672
  401    HA   PHE  58           HA       PHE  58 -10.224   2.086   0.687
  402   1HB   PHE  58          2HB       PHE  58  -8.404   2.863  -1.240
  403   2HB   PHE  58          1HB       PHE  58  -7.875   3.751   0.183
  404    HD1  PHE  58           1HD      PHE  58  -9.302   0.359  -0.318
  405    HD2  PHE  58           2HD      PHE  58  -6.081   2.688   1.156
  406    HE1  PHE  58           1HE      PHE  58  -8.235  -1.676   0.546
  407    HE2  PHE  58           2HE      PHE  58  -5.006   0.664   2.028
  408    HZ   PHE  58           HZ       PHE  58  -6.088  -1.512   1.714
  409    H    GLY  59           H        GLY  59  -9.841   5.552  -0.001
  410   1HA   GLY  59          2HA       GLY  59  -9.189   6.388   2.592
  411   2HA   GLY  59          1HA       GLY  59 -10.001   7.377   1.387
  412    H    LYS  60           H        LYS  60 -12.176   5.173   1.406
  413    HA   LYS  60           HA       LYS  60 -13.625   6.309   3.612
  414   1HB   LYS  60          2HB       LYS  60 -14.433   5.194   0.990
  415   2HB   LYS  60          1HB       LYS  60 -15.588   5.123   2.313
  416   1HG   LYS  60          2HG       LYS  60 -16.017   7.318   2.223
  417   2HG   LYS  60          1HG       LYS  60 -14.325   7.740   1.957
  418   1HD   LYS  60          2HD       LYS  60 -15.723   6.383  -0.270
  419   2HD   LYS  60          1HD       LYS  60 -16.222   8.038   0.087
  420   1HE   LYS  60          2HE       LYS  60 -13.314   7.565  -0.003
  421   2HE   LYS  60          1HE       LYS  60 -14.163   7.394  -1.539
  422   1HZ   LYS  60          1HZ       LYS  60 -14.898   9.739  -0.022
  423   2HZ   LYS  60          2HZ       LYS  60 -14.528   9.584  -1.665
  424   3HZ   LYS  60          3HZ       LYS  60 -13.283   9.722  -0.529
  425    H    LEU  61           H        LEU  61 -12.427   3.324   2.448
  426    HA   LEU  61           HA       LEU  61 -14.020   1.494   3.801
  427   1HB   LEU  61          2HB       LEU  61 -11.108   1.373   3.077
  428   2HB   LEU  61          1HB       LEU  61 -11.973   0.022   3.771
  429    HG   LEU  61           HG       LEU  61 -12.896   1.311   1.222
  430   1HD1  LEU  61          1HD1      LEU  61 -11.330  -1.175   1.074
  431   2HD1  LEU  61          2HD1      LEU  61 -10.417   0.291   1.416
  432   3HD1  LEU  61          3HD1      LEU  61 -11.404   0.189  -0.042
  433   1HD2  LEU  61          1HD2      LEU  61 -13.319  -1.355   2.544
  434   2HD2  LEU  61          2HD2      LEU  61 -13.796  -1.005   0.882
  435   3HD2  LEU  61          3HD2      LEU  61 -14.524  -0.109   2.216
  436    H    ALA  62           H        ALA  62 -12.841  -0.014   5.492
  437    HA   ALA  62           HA       ALA  62 -12.379   1.658   7.850
  438   1HB   ALA  62          1HB       ALA  62 -12.794  -1.333   7.826
  439   2HB   ALA  62          2HB       ALA  62 -14.131  -0.176   7.831
  440   3HB   ALA  62          3HB       ALA  62 -12.990  -0.205   9.173
  441    H    LEU  63           H        LEU  63 -10.961  -0.031   9.459
  442    HA   LEU  63           HA       LEU  63  -8.350   0.099   8.223
  443   1HB   LEU  63          2HB       LEU  63  -9.322   0.422  10.843
  444   2HB   LEU  63          1HB       LEU  63  -8.288  -0.995  10.874
  445    HG   LEU  63           HG       LEU  63  -7.020   0.985  11.468
  446   1HD1  LEU  63          1HD1      LEU  63  -6.247  -0.908   9.699
  447   2HD1  LEU  63          2HD1      LEU  63  -5.186   0.346  10.342
  448   3HD1  LEU  63          3HD1      LEU  63  -5.951   0.559   8.767
  449   1HD2  LEU  63          1HD2      LEU  63  -7.212   2.170   8.769
  450   2HD2  LEU  63          2HD2      LEU  63  -7.032   2.947  10.342
  451   3HD2  LEU  63          3HD2      LEU  63  -8.615   2.370   9.820
  452    H    TRP  64           H        TRP  64 -10.675  -2.207   9.125
  453    HA   TRP  64           HA       TRP  64  -8.945  -4.449   9.033
  454   1HB   TRP  64          2HB       TRP  64 -11.083  -5.744   9.253
  455   2HB   TRP  64          1HB       TRP  64 -10.799  -4.569  10.533
  456    HD1  TRP  64           HD       TRP  64 -12.373  -2.357  10.535
  457    HE1  TRP  64           1HE      TRP  64 -14.716  -1.967   9.517
  458    HE3  TRP  64           3HE      TRP  64 -12.532  -6.262   7.282
  459    HZ2  TRP  64           2HZ      TRP  64 -16.397  -3.156   7.618
  460    HZ3  TRP  64           3HZ      TRP  64 -14.537  -6.581   5.889
  461    HH2  TRP  64           HH       TRP  64 -16.430  -5.041   6.061
  462    H    LYS  65           H        LYS  65 -11.682  -3.365   7.017
  463    HA   LYS  65           HA       LYS  65 -11.359  -5.309   5.051
  464   1HB   LYS  65          2HB       LYS  65 -12.477  -3.459   3.545
  465   2HB   LYS  65          1HB       LYS  65 -13.394  -4.257   4.809
  466   1HG   LYS  65          2HG       LYS  65 -12.923  -2.329   6.283
  467   2HG   LYS  65          1HG       LYS  65 -12.146  -1.536   4.913
  468   1HD   LYS  65          2HD       LYS  65 -14.122  -0.834   4.175
  469   2HD   LYS  65          1HD       LYS  65 -14.706  -2.496   4.093
  470   1HE   LYS  65          2HE       LYS  65 -16.073  -2.098   5.793
  471   2HE   LYS  65          1HE       LYS  65 -14.699  -1.685   6.814
  472   1HZ   LYS  65          1HZ       LYS  65 -14.905   0.572   5.516
  473   2HZ   LYS  65          2HZ       LYS  65 -15.849   0.258   6.883
  474   3HZ   LYS  65          3HZ       LYS  65 -16.512   0.072   5.338
  475    H    ARG  66           H        ARG  66  -9.842  -2.200   5.542
  476    HA   ARG  66           HA       ARG  66  -8.493  -2.004   3.082
  477   1HB   ARG  66          2HB       ARG  66  -8.371  -0.763   5.750
  478   2HB   ARG  66          1HB       ARG  66  -6.849  -0.775   4.881
  479   1HG   ARG  66          2HG       ARG  66  -8.366   0.145   2.922
  480   2HG   ARG  66          1HG       ARG  66  -9.374   0.659   4.276
  481   1HD   ARG  66          2HD       ARG  66  -7.602   2.296   3.394
  482   2HD   ARG  66          1HD       ARG  66  -7.715   2.053   5.137
  483    HE   ARG  66           HE       ARG  66  -5.832   0.278   3.960
  484   1HH1  ARG  66          1HH1      ARG  66  -6.262   3.594   4.967
  485   2HH1  ARG  66          2HH1      ARG  66  -4.578   3.854   5.269
  486   1HH2  ARG  66          1HH2      ARG  66  -3.616   0.618   4.366
  487   2HH2  ARG  66          2HH2      ARG  66  -3.075   2.164   4.925
  488    H    ASN  67           H        ASN  67  -7.682  -3.437   6.222
  489    HA   ASN  67           HA       ASN  67  -5.073  -4.222   5.610
  490   1HB   ASN  67          2HB       ASN  67  -7.080  -4.745   7.688
  491   2HB   ASN  67          1HB       ASN  67  -5.930  -6.049   7.446
  492   1HD2  ASN  67          1HD2      ASN  67  -6.364  -4.059   9.636
  493   2HD2  ASN  67          2HD2      ASN  67  -4.813  -3.343   9.893
  494    H    GLU  68           H        GLU  68  -8.181  -5.923   5.386
  495    HA   GLU  68           HA       GLU  68  -7.163  -8.355   4.507
  496   1HB   GLU  68          2HB       GLU  68  -9.295  -8.866   4.935
  497   2HB   GLU  68          1HB       GLU  68  -9.742  -7.170   4.916
  498   1HG   GLU  68          2HG       GLU  68 -10.329  -7.226   2.661
  499   2HG   GLU  68          1HG       GLU  68  -9.445  -8.724   2.372
  500    H    LEU  69           H        LEU  69  -7.603  -5.392   2.912
  501    HA   LEU  69           HA       LEU  69  -7.475  -6.536   0.246
  502   1HB   LEU  69          2HB       LEU  69  -7.682  -3.712   1.276
  503   2HB   LEU  69          1HB       LEU  69  -7.478  -4.090  -0.431
  504    HG   LEU  69           HG       LEU  69  -9.775  -4.999   1.292
  505   1HD1  LEU  69          1HD1      LEU  69 -10.142  -2.726   0.982
  506   2HD1  LEU  69          2HD1      LEU  69 -11.024  -3.464  -0.356
  507   3HD1  LEU  69          3HD1      LEU  69  -9.443  -2.734  -0.637
  508   1HD2  LEU  69          1HD2      LEU  69  -8.749  -6.016  -1.125
  509   2HD2  LEU  69          2HD2      LEU  69 -10.248  -5.169  -1.513
  510   3HD2  LEU  69          3HD2      LEU  69 -10.248  -6.457  -0.307
  511    H    LYS  70           H        LYS  70  -5.556  -4.232   2.163
  512    HA   LYS  70           HA       LYS  70  -3.438  -3.868   0.487
  513   1HB   LYS  70          2HB       LYS  70  -2.409  -2.909   2.273
  514   2HB   LYS  70          1HB       LYS  70  -4.035  -2.980   2.908
  515   1HG   LYS  70          2HG       LYS  70  -3.367  -5.181   3.976
  516   2HG   LYS  70          1HG       LYS  70  -1.707  -4.749   3.565
  517   1HD   LYS  70          2HD       LYS  70  -3.577  -3.052   5.215
  518   2HD   LYS  70          1HD       LYS  70  -2.329  -4.110   5.874
  519   1HE   LYS  70          2HE       LYS  70  -1.002  -2.565   3.986
  520   2HE   LYS  70          1HE       LYS  70  -2.109  -1.439   4.772
  521   1HZ   LYS  70          1HZ       LYS  70   0.297  -2.082   5.730
  522   2HZ   LYS  70          2HZ       LYS  70  -0.663  -3.199   6.560
  523   3HZ   LYS  70          3HZ       LYS  70  -0.985  -1.544   6.694
  524    H    LYS  71           H        LYS  71  -4.228  -6.680   2.357
  525    HA   LYS  71           HA       LYS  71  -1.699  -7.918   2.152
  526   1HB   LYS  71          2HB       LYS  71  -4.280  -8.580   3.254
  527   2HB   LYS  71          1HB       LYS  71  -3.617  -9.953   2.378
  528   1HG   LYS  71          2HG       LYS  71  -1.659  -9.970   3.739
  529   2HG   LYS  71          1HG       LYS  71  -2.114  -8.446   4.503
  530   1HD   LYS  71          2HD       LYS  71  -3.800 -10.935   4.669
  531   2HD   LYS  71          1HD       LYS  71  -2.554 -10.537   5.854
  532   1HE   LYS  71          2HE       LYS  71  -3.765  -8.853   6.766
  533   2HE   LYS  71          1HE       LYS  71  -4.504  -8.407   5.228
  534   1HZ   LYS  71          1HZ       LYS  71  -5.375 -10.364   7.213
  535   2HZ   LYS  71          2HZ       LYS  71  -5.659 -10.737   5.587
  536   3HZ   LYS  71          3HZ       LYS  71  -6.292  -9.316   6.251
  537    H    LYS  72           H        LYS  72  -4.534  -7.854   0.186
  538    HA   LYS  72           HA       LYS  72  -3.860  -9.913  -1.562
  539   1HB   LYS  72          2HB       LYS  72  -5.774  -7.685  -1.568
  540   2HB   LYS  72          1HB       LYS  72  -5.278  -8.233  -3.163
  541   1HG   LYS  72          2HG       LYS  72  -7.015  -9.638  -2.887
  542   2HG   LYS  72          1HG       LYS  72  -5.803 -10.599  -2.039
  543   1HD   LYS  72          2HD       LYS  72  -7.605 -10.572  -0.563
  544   2HD   LYS  72          1HD       LYS  72  -6.546  -9.303   0.056
  545   1HE   LYS  72          2HE       LYS  72  -8.543  -8.194   0.080
  546   2HE   LYS  72          1HE       LYS  72  -7.994  -7.792  -1.545
  547   1HZ   LYS  72          1HZ       LYS  72 -10.022  -8.541  -2.102
  548   2HZ   LYS  72          2HZ       LYS  72 -10.202  -9.468  -0.699
  549   3HZ   LYS  72          3HZ       LYS  72  -9.302 -10.068  -1.998
  550    H    ALA  73           H        ALA  73  -2.972  -6.594  -1.356
  551    HA   ALA  73           HA       ALA  73  -1.507  -6.654  -3.837
  552   1HB   ALA  73          1HB       ALA  73  -1.798  -4.447  -1.811
  553   2HB   ALA  73          2HB       ALA  73  -2.776  -4.649  -3.263
  554   3HB   ALA  73          3HB       ALA  73  -1.052  -4.299  -3.402
  555    H    SER  74           H        SER  74  -0.978  -7.358  -0.549
  556    HA   SER  74           HA       SER  74   0.886  -8.145   0.506
  557   1HB   SER  74          2HB       SER  74   2.720  -7.328  -1.711
  558   2HB   SER  74          1HB       SER  74   2.786  -8.746  -0.665
  559    HG   SER  74           HG       SER  74   1.655  -9.796  -2.082
  560    H    LEU  75           H        LEU  75  -0.003  -5.200   0.065
  561    HA   LEU  75           HA       LEU  75   2.394  -3.732   0.716
  562   1HB   LEU  75          2HB       LEU  75  -0.480  -2.813   0.760
  563   2HB   LEU  75          1HB       LEU  75   0.938  -1.787   0.797
  564    HG   LEU  75           HG       LEU  75  -0.251  -3.285  -1.496
  565   1HD1  LEU  75          1HD1      LEU  75  -0.104  -1.218  -2.614
  566   2HD1  LEU  75          2HD1      LEU  75   1.012  -0.561  -1.416
  567   3HD1  LEU  75          3HD1      LEU  75  -0.676  -0.843  -0.988
  568   1HD2  LEU  75          1HD2      LEU  75   1.830  -4.114  -1.875
  569   2HD2  LEU  75          2HD2      LEU  75   2.636  -2.809  -1.007
  570   3HD2  LEU  75          3HD2      LEU  75   2.016  -2.532  -2.633
  571    H    PHE  76           H        PHE  76   0.364  -5.695   2.441
  572    HA   PHE  76           HA       PHE  76  -0.025  -4.288   4.832
  573   1HB   PHE  76          2HB       PHE  76  -1.035  -6.553   3.989
  574   2HB   PHE  76          1HB       PHE  76   0.360  -7.260   4.799
  575    HD1  PHE  76           1HD      PHE  76  -2.947  -6.794   5.227
  576    HD2  PHE  76           2HD      PHE  76   0.700  -5.896   7.232
  577    HE1  PHE  76           1HE      PHE  76  -4.146  -6.710   7.368
  578    HE2  PHE  76           2HE      PHE  76  -0.499  -5.805   9.378
  579    HZ   PHE  76           HZ       PHE  76  -2.927  -6.212   9.446
  Start of MODEL    3
    1    HA   PRO   9           HA       PRO   9  -0.424  14.954   1.318
    2   1HB   PRO   9          2HB       PRO   9  -2.284  14.144   3.389
    3   2HB   PRO   9          1HB       PRO   9  -1.788  15.772   2.911
    4   1HG   PRO   9          2HG       PRO   9  -4.278  14.774   2.441
    5   2HG   PRO   9          1HG       PRO   9  -3.507  16.001   1.419
    6   1HD   PRO   9          2HD       PRO   9  -3.741  13.039   0.976
    7   2HD   PRO   9          1HD       PRO   9  -3.971  14.367  -0.178
    8    H    GLY  10           H        GLY  10   0.693  14.065   3.233
    9   1HA   GLY  10          2HA       GLY  10   1.379  12.270   4.602
   10   2HA   GLY  10          1HA       GLY  10   0.452  11.173   3.590
   11    H    LEU  11           H        LEU  11   2.031   9.705   3.140
   12    HA   LEU  11           HA       LEU  11   4.670  10.406   2.419
   13   1HB   LEU  11          2HB       LEU  11   3.421   7.796   1.668
   14   2HB   LEU  11          1HB       LEU  11   5.071   8.128   2.156
   15    HG   LEU  11           HG       LEU  11   3.300   8.787   4.318
   16   1HD1  LEU  11          1HD1      LEU  11   1.966   7.001   2.966
   17   2HD1  LEU  11          2HD1      LEU  11   2.109   6.864   4.718
   18   3HD1  LEU  11          3HD1      LEU  11   3.133   5.881   3.670
   19   1HD2  LEU  11          1HD2      LEU  11   5.598   6.954   3.819
   20   2HD2  LEU  11          2HD2      LEU  11   4.681   6.818   5.318
   21   3HD2  LEU  11          3HD2      LEU  11   5.480   8.336   4.906
   22    H    GLN  12           H        GLN  12   5.692  10.313   0.383
   23    HA   GLN  12           HA       GLN  12   4.148  11.293  -1.750
   24   1HB   GLN  12          2HB       GLN  12   6.210  12.141  -2.023
   25   2HB   GLN  12          1HB       GLN  12   6.962  10.833  -1.131
   26   1HG   GLN  12          2HG       GLN  12   7.912  10.493  -3.141
   27   2HG   GLN  12          1HG       GLN  12   6.469   9.515  -3.368
   28   1HE2  GLN  12          1HE2      GLN  12   5.383   9.868  -5.172
   29   2HE2  GLN  12          2HE2      GLN  12   5.420  11.310  -6.118
   30    H    ILE  13           H        ILE  13   3.638  10.355  -3.734
   31    HA   ILE  13           HA       ILE  13   2.869   7.636  -3.649
   32    HB   ILE  13           HB       ILE  13   3.020   9.510  -6.003
   33   1HG1  ILE  13          2HG1      ILE  13   1.657  10.179  -3.928
   34   2HG1  ILE  13          1HG1      ILE  13   0.853  10.226  -5.489
   35   1HG2  ILE  13          1HG2      ILE  13   2.028   6.750  -5.706
   36   2HG2  ILE  13          2HG2      ILE  13   2.604   7.611  -7.133
   37   3HG2  ILE  13          3HG2      ILE  13   0.963   7.873  -6.551
   38   1HD1  ILE  13          1HD1      ILE  13   0.600   7.687  -4.047
   39   2HD1  ILE  13          2HD1      ILE  13  -0.612   8.629  -4.916
   40   3HD1  ILE  13          3HD1      ILE  13  -0.163   9.075  -3.269
   41    H    TYR  14           H        TYR  14   3.799   5.838  -4.383
   42    HA   TYR  14           HA       TYR  14   6.278   6.062  -5.956
   43   1HB   TYR  14          2HB       TYR  14   5.618   4.013  -3.827
   44   2HB   TYR  14          1HB       TYR  14   7.067   4.010  -4.825
   45    HD1  TYR  14           1HD      TYR  14   6.991   4.015  -1.809
   46    HD2  TYR  14           2HD      TYR  14   7.216   7.190  -4.626
   47    HE1  TYR  14           1HE      TYR  14   8.138   5.403  -0.139
   48    HE2  TYR  14           2HE      TYR  14   8.368   8.591  -2.964
   49    HH   TYR  14           HH       TYR  14   9.678   7.359  -0.115
   50    HA   PRO  15           HA       PRO  15   4.213   3.500  -8.902
   51   1HB   PRO  15          2HB       PRO  15   6.781   2.329  -9.686
   52   2HB   PRO  15          1HB       PRO  15   5.717   3.401 -10.598
   53   1HG   PRO  15          2HG       PRO  15   8.105   4.211  -9.632
   54   2HG   PRO  15          1HG       PRO  15   6.718   5.304  -9.785
   55   1HD   PRO  15          2HD       PRO  15   7.780   3.921  -7.352
   56   2HD   PRO  15          1HD       PRO  15   7.175   5.580  -7.531
   57    H    TYR  16           H        TYR  16   4.010   2.351  -6.428
   58    HA   TYR  16           HA       TYR  16   3.717   0.376  -5.334
   59   1HB   TYR  16          2HB       TYR  16   2.259   0.026  -7.287
   60   2HB   TYR  16          1HB       TYR  16   3.604  -0.710  -8.144
   61    HD1  TYR  16           1HD      TYR  16   3.451  -2.997  -8.322
   62    HD2  TYR  16           2HD      TYR  16   2.005  -1.141  -4.775
   63    HE1  TYR  16           1HE      TYR  16   2.796  -5.195  -7.445
   64    HE2  TYR  16           2HE      TYR  16   1.348  -3.339  -3.884
   65    HH   TYR  16           HH       TYR  16   1.987  -5.725  -4.223
   66    H    GLU  17           H        GLU  17   5.521  -0.801  -8.081
   67    HA   GLU  17           HA       GLU  17   6.973  -2.766  -6.872
   68   1HB   GLU  17          2HB       GLU  17   7.420  -1.087  -9.288
   69   2HB   GLU  17          1HB       GLU  17   8.745  -2.099  -8.730
   70   1HG   GLU  17          2HG       GLU  17   7.000  -3.994  -8.729
   71   2HG   GLU  17          1HG       GLU  17   6.055  -2.910  -9.748
   72    H    MET  18           H        MET  18   7.464   0.642  -6.644
   73    HA   MET  18           HA       MET  18  10.172   0.686  -5.918
   74   1HB   MET  18          2HB       MET  18   7.991   2.543  -6.012
   75   2HB   MET  18          1HB       MET  18   8.833   2.729  -4.480
   76   1HG   MET  18          2HG       MET  18  10.908   2.590  -6.239
   77   2HG   MET  18          1HG       MET  18   9.678   3.419  -7.192
   78   1HE   MET  18          1HE       MET  18   9.308   5.792  -7.166
   79   2HE   MET  18          2HE       MET  18   9.386   6.845  -5.753
   80   3HE   MET  18          3HE       MET  18   8.200   5.541  -5.817
   81    H    LEU  19           H        LEU  19   7.371  -0.359  -4.292
   82    HA   LEU  19           HA       LEU  19   8.792  -0.521  -1.719
   83   1HB   LEU  19          2HB       LEU  19   5.831  -0.729  -2.215
   84   2HB   LEU  19          1HB       LEU  19   6.633  -0.550  -0.663
   85    HG   LEU  19           HG       LEU  19   7.148   1.633  -2.567
   86   1HD1  LEU  19          1HD1      LEU  19   5.065   2.280  -3.026
   87   2HD1  LEU  19          2HD1      LEU  19   4.564   2.062  -1.350
   88   3HD1  LEU  19          3HD1      LEU  19   4.530   0.698  -2.461
   89   1HD2  LEU  19          1HD2      LEU  19   7.175   1.158   0.230
   90   2HD2  LEU  19          2HD2      LEU  19   6.020   2.451  -0.088
   91   3HD2  LEU  19          3HD2      LEU  19   7.685   2.601  -0.643
   92    H    VAL  20           H        VAL  20   6.750  -2.207  -4.023
   93    HA   VAL  20           HA       VAL  20   6.577  -4.676  -2.674
   94    HB   VAL  20           HB       VAL  20   6.380  -4.211  -5.642
   95   1HG1  VAL  20          1HG1      VAL  20   6.330  -6.479  -5.422
   96   2HG1  VAL  20          2HG1      VAL  20   4.621  -6.111  -5.209
   97   3HG1  VAL  20          3HG1      VAL  20   5.639  -6.429  -3.804
   98   1HG2  VAL  20          1HG2      VAL  20   4.916  -2.879  -3.787
   99   2HG2  VAL  20          2HG2      VAL  20   3.925  -4.315  -4.038
  100   3HG2  VAL  20          3HG2      VAL  20   4.352  -3.286  -5.401
  101    H    VAL  21           H        VAL  21   8.823  -4.951  -2.012
  102    HA   VAL  21           HA       VAL  21  10.793  -5.529  -4.003
  103    HB   VAL  21           HB       VAL  21  10.938  -6.051  -1.036
  104   1HG1  VAL  21          1HG1      VAL  21  13.048  -5.863  -3.180
  105   2HG1  VAL  21          2HG1      VAL  21  12.627  -7.275  -2.208
  106   3HG1  VAL  21          3HG1      VAL  21  13.395  -5.879  -1.450
  107   1HG2  VAL  21          1HG2      VAL  21  10.576  -3.604  -2.130
  108   2HG2  VAL  21          2HG2      VAL  21  12.336  -3.723  -2.165
  109   3HG2  VAL  21          3HG2      VAL  21  11.470  -3.899  -0.639
  110    H    THR  22           H        THR  22  11.022  -7.431  -4.998
  111    HA   THR  22           HA       THR  22   9.516  -9.707  -4.166
  112    HB   THR  22           HB       THR  22  11.332 -10.407  -6.218
  113    HG1  THR  22           1HG      THR  22  10.096  -7.891  -6.591
  114   1HG2  THR  22          1HG2      THR  22   9.483 -10.950  -7.426
  115   2HG2  THR  22          2HG2      THR  22   8.567  -9.555  -6.855
  116   3HG2  THR  22          3HG2      THR  22   8.805 -10.947  -5.798
  117    H    ASN  23           H        ASN  23  11.029  -9.319  -2.077
  118    HA   ASN  23           HA       ASN  23  12.419 -11.684  -1.687
  119   1HB   ASN  23          2HB       ASN  23  14.016 -10.281  -3.244
  120   2HB   ASN  23          1HB       ASN  23  14.420  -9.460  -1.740
  121   1HD2  ASN  23          1HD2      ASN  23  13.849 -12.812  -2.769
  122   2HD2  ASN  23          2HD2      ASN  23  15.272 -13.458  -2.033
  123    H    LYS  24           H        LYS  24  10.783 -11.135   0.017
  124    HA   LYS  24           HA       LYS  24  11.016  -9.126   1.879
  125   1HB   LYS  24          2HB       LYS  24   9.784 -10.555   3.409
  126   2HB   LYS  24          1HB       LYS  24   9.137 -10.712   1.782
  127   1HG   LYS  24          2HG       LYS  24  11.147 -12.685   2.114
  128   2HG   LYS  24          1HG       LYS  24  10.081 -12.742   3.519
  129   1HD   LYS  24          2HD       LYS  24   9.118 -12.758   0.662
  130   2HD   LYS  24          1HD       LYS  24   9.371 -14.211   1.630
  131   1HE   LYS  24          2HE       LYS  24   7.801 -12.438   3.173
  132   2HE   LYS  24          1HE       LYS  24   7.108 -12.470   1.553
  133   1HZ   LYS  24          1HZ       LYS  24   6.079 -14.286   2.353
  134   2HZ   LYS  24          2HZ       LYS  24   7.236 -14.567   3.555
  135   3HZ   LYS  24          3HZ       LYS  24   7.531 -15.065   1.966
  136    H    GLY  25           H        GLY  25  12.145  -8.796   3.760
  137   1HA   GLY  25          2HA       GLY  25  13.564 -10.398   5.366
  138   2HA   GLY  25          1HA       GLY  25  14.645 -10.259   3.989
  139    H    ARG  26           H        ARG  26  16.232  -8.899   4.488
  140    HA   ARG  26           HA       ARG  26  15.710  -6.641   6.215
  141   1HB   ARG  26          2HB       ARG  26  18.369  -7.499   5.092
  142   2HB   ARG  26          1HB       ARG  26  18.078  -6.446   6.471
  143   1HG   ARG  26          2HG       ARG  26  18.293  -8.226   7.769
  144   2HG   ARG  26          1HG       ARG  26  16.770  -8.820   7.102
  145   1HD   ARG  26          2HD       ARG  26  18.155 -10.597   6.665
  146   2HD   ARG  26          1HD       ARG  26  18.306  -9.682   5.166
  147    HE   ARG  26           HE       ARG  26  20.503  -9.290   5.667
  148   1HH1  ARG  26          1HH1      ARG  26  18.870 -10.382   8.551
  149   2HH1  ARG  26          2HH1      ARG  26  20.328 -10.522   9.475
  150   1HH2  ARG  26          1HH2      ARG  26  22.422  -9.475   6.879
  151   2HH2  ARG  26          2HH2      ARG  26  22.345 -10.008   8.525
  152    H    THR  27           H        THR  27  14.586  -6.501   3.621
  153    HA   THR  27           HA       THR  27  16.196  -5.014   1.853
  154    HB   THR  27           HB       THR  27  14.465  -5.877   0.677
  155    HG1  THR  27           1HG      THR  27  14.363  -3.689   0.254
  156   1HG2  THR  27          1HG2      THR  27  12.031  -5.676   1.513
  157   2HG2  THR  27          2HG2      THR  27  12.774  -5.437   3.094
  158   3HG2  THR  27          3HG2      THR  27  13.076  -6.923   2.195
  159    H    LYS  28           H        LYS  28  15.774  -2.818   1.158
  160    HA   LYS  28           HA       LYS  28  15.324  -1.068   3.483
  161   1HB   LYS  28          2HB       LYS  28  16.978  -0.710   0.988
  162   2HB   LYS  28          1HB       LYS  28  16.601   0.624   2.069
  163   1HG   LYS  28          2HG       LYS  28  17.631  -0.765   3.919
  164   2HG   LYS  28          1HG       LYS  28  18.238  -1.825   2.644
  165   1HD   LYS  28          2HD       LYS  28  19.095   0.455   1.631
  166   2HD   LYS  28          1HD       LYS  28  18.996   0.977   3.314
  167   1HE   LYS  28          2HE       LYS  28  20.884  -0.084   3.806
  168   2HE   LYS  28          1HE       LYS  28  20.249  -1.599   3.167
  169   1HZ   LYS  28          1HZ       LYS  28  21.108   0.346   1.190
  170   2HZ   LYS  28          2HZ       LYS  28  21.325  -1.331   1.226
  171   3HZ   LYS  28          3HZ       LYS  28  22.341  -0.329   2.133
  172    H    LEU  29           H        LEU  29  13.461  -0.004   3.512
  173    HA   LEU  29           HA       LEU  29  11.824   0.190   1.180
  174   1HB   LEU  29          2HB       LEU  29  11.525   0.888   4.059
  175   2HB   LEU  29          1HB       LEU  29  10.436   1.636   2.901
  176    HG   LEU  29           HG       LEU  29  10.728  -1.302   3.518
  177   1HD1  LEU  29          1HD1      LEU  29   8.758   0.830   4.093
  178   2HD1  LEU  29          2HD1      LEU  29   9.240  -0.564   5.060
  179   3HD1  LEU  29          3HD1      LEU  29   8.125  -0.772   3.710
  180   1HD2  LEU  29          1HD2      LEU  29   8.662  -1.212   1.801
  181   2HD2  LEU  29          2HD2      LEU  29  10.317  -1.578   1.312
  182   3HD2  LEU  29          3HD2      LEU  29   9.679   0.054   1.115
  183    HA   PRO  30           HA       PRO  30  12.927   4.125  -0.464
  184   1HB   PRO  30          2HB       PRO  30  10.014   4.753  -0.317
  185   2HB   PRO  30          1HB       PRO  30  11.126   4.895  -1.683
  186   1HG   PRO  30          2HG       PRO  30   9.394   2.888  -1.576
  187   2HG   PRO  30          1HG       PRO  30  11.051   2.616  -2.146
  188   1HD   PRO  30          2HD       PRO  30   9.812   1.925   0.482
  189   2HD   PRO  30          1HD       PRO  30  11.014   1.030  -0.469
  190    HA   PRO  31           HA       PRO  31  13.073   7.200   2.685
  191   1HB   PRO  31          2HB       PRO  31  12.106   9.294   0.842
  192   2HB   PRO  31          1HB       PRO  31  13.658   9.159   1.674
  193   1HG   PRO  31          2HG       PRO  31  13.449   8.752  -0.966
  194   2HG   PRO  31          1HG       PRO  31  14.572   7.811   0.034
  195   1HD   PRO  31          2HD       PRO  31  11.892   7.033  -1.054
  196   2HD   PRO  31          1HD       PRO  31  13.382   6.073  -0.936
  197    H    GLY  32           H        GLY  32  11.645   7.238   4.287
  198   1HA   GLY  32          2HA       GLY  32   9.747   7.703   5.489
  199   2HA   GLY  32          1HA       GLY  32   9.337   8.854   4.228
  200    H    VAL  33           H        VAL  33   9.238   5.394   4.999
  201    HA   VAL  33           HA       VAL  33   6.813   5.190   3.431
  202    HB   VAL  33           HB       VAL  33   8.956   3.170   3.792
  203   1HG1  VAL  33          1HG1      VAL  33   6.182   2.785   2.709
  204   2HG1  VAL  33          2HG1      VAL  33   6.928   1.941   4.066
  205   3HG1  VAL  33          3HG1      VAL  33   7.504   1.653   2.424
  206   1HG2  VAL  33          1HG2      VAL  33   8.281   5.051   1.788
  207   2HG2  VAL  33          2HG2      VAL  33   8.136   3.424   1.123
  208   3HG2  VAL  33          3HG2      VAL  33   9.657   3.952   1.846
  209    H    ASP  34           H        ASP  34   5.183   3.851   4.142
  210    HA   ASP  34           HA       ASP  34   5.210   3.470   7.045
  211   1HB   ASP  34          2HB       ASP  34   3.553   4.979   5.474
  212   2HB   ASP  34          1HB       ASP  34   2.616   3.497   5.668
  213    H    ARG  35           H        ARG  35   5.817   1.358   7.290
  214    HA   ARG  35           HA       ARG  35   5.227  -0.789   5.641
  215   1HB   ARG  35          2HB       ARG  35   6.515  -0.424   8.086
  216   2HB   ARG  35          1HB       ARG  35   5.222  -1.558   8.446
  217   1HG   ARG  35          2HG       ARG  35   6.249  -2.580   6.130
  218   2HG   ARG  35          1HG       ARG  35   7.685  -1.936   6.928
  219   1HD   ARG  35          2HD       ARG  35   6.462  -3.168   9.004
  220   2HD   ARG  35          1HD       ARG  35   5.956  -4.202   7.668
  221    HE   ARG  35           HE       ARG  35   8.658  -3.868   7.336
  222   1HH1  ARG  35          1HH1      ARG  35   6.586  -5.088   9.865
  223   2HH1  ARG  35          2HH1      ARG  35   7.767  -6.201  10.468
  224   1HH2  ARG  35          1HH2      ARG  35  10.214  -5.332   8.128
  225   2HH2  ARG  35          2HH2      ARG  35   9.826  -6.341   9.482
  226    H    MET  36           H        MET  36   3.367   0.533   8.337
  227    HA   MET  36           HA       MET  36   1.272  -1.411   7.969
  228   1HB   MET  36          2HB       MET  36   2.192   0.176  10.121
  229   2HB   MET  36          1HB       MET  36   0.533   0.659   9.796
  230   1HG   MET  36          2HG       MET  36  -0.266  -1.549  10.133
  231   2HG   MET  36          1HG       MET  36   1.371  -2.202  10.167
  232   1HE   MET  36          1HE       MET  36   0.643   1.185  11.719
  233   2HE   MET  36          2HE       MET  36   0.223   0.846  13.398
  234   3HE   MET  36          3HE       MET  36  -0.930   0.491  12.113
  235    H    ARG  37           H        ARG  37   2.057   1.125   6.213
  236    HA   ARG  37           HA       ARG  37  -0.648   1.595   5.339
  237   1HB   ARG  37          2HB       ARG  37   0.434   3.356   7.233
  238   2HB   ARG  37          1HB       ARG  37   0.582   4.197   5.698
  239   1HG   ARG  37          2HG       ARG  37  -1.494   4.880   6.334
  240   2HG   ARG  37          1HG       ARG  37  -1.918   3.435   5.413
  241   1HD   ARG  37          2HD       ARG  37  -2.598   2.310   7.247
  242   2HD   ARG  37          1HD       ARG  37  -1.326   2.989   8.261
  243    HE   ARG  37           HE       ARG  37  -2.990   5.086   7.861
  244   1HH1  ARG  37          1HH1      ARG  37  -3.490   1.818   8.978
  245   2HH1  ARG  37          2HH1      ARG  37  -4.832   2.235   9.988
  246   1HH2  ARG  37          1HH2      ARG  37  -4.755   5.637   9.190
  247   2HH2  ARG  37          2HH2      ARG  37  -5.551   4.403  10.109
  248    H    LEU  38           H        LEU  38   0.949   0.339   3.812
  249    HA   LEU  38           HA       LEU  38   2.729   1.949   2.273
  250   1HB   LEU  38          2HB       LEU  38   1.970  -0.837   2.484
  251   2HB   LEU  38          1HB       LEU  38   2.110  -0.349   0.813
  252    HG   LEU  38           HG       LEU  38   4.230  -1.143   1.251
  253   1HD1  LEU  38          1HD1      LEU  38   4.375   1.767   1.996
  254   2HD1  LEU  38          2HD1      LEU  38   4.455   1.092   0.369
  255   3HD1  LEU  38          3HD1      LEU  38   5.751   0.771   1.522
  256   1HD2  LEU  38          1HD2      LEU  38   3.551  -0.478   3.991
  257   2HD2  LEU  38          2HD2      LEU  38   5.223  -0.074   3.597
  258   3HD2  LEU  38          3HD2      LEU  38   4.635  -1.719   3.361
  259    H    GLU  39           H        GLU  39  -0.564   1.017   2.077
  260    HA   GLU  39           HA       GLU  39  -1.167   1.366  -0.603
  261   1HB   GLU  39          2HB       GLU  39  -3.452   1.774   0.077
  262   2HB   GLU  39          1HB       GLU  39  -2.755   0.517   1.090
  263   1HG   GLU  39          2HG       GLU  39  -3.716   1.725   2.721
  264   2HG   GLU  39          1HG       GLU  39  -2.211   2.634   2.616
  265    H    ARG  40           H        ARG  40  -0.459   3.746   1.827
  266    HA   ARG  40           HA       ARG  40  -1.530   5.973   0.467
  267   1HB   ARG  40          2HB       ARG  40   0.303   5.588   2.778
  268   2HB   ARG  40          1HB       ARG  40   0.245   7.172   2.018
  269   1HG   ARG  40          2HG       ARG  40  -2.421   6.452   2.356
  270   2HG   ARG  40          1HG       ARG  40  -1.615   5.934   3.838
  271   1HD   ARG  40          2HD       ARG  40  -0.634   8.195   4.046
  272   2HD   ARG  40          1HD       ARG  40  -1.544   8.693   2.620
  273    HE   ARG  40           HE       ARG  40  -2.530   8.449   5.281
  274   1HH1  ARG  40          1HH1      ARG  40  -3.441   8.129   1.928
  275   2HH1  ARG  40          2HH1      ARG  40  -5.118   8.444   2.223
  276   1HH2  ARG  40          1HH2      ARG  40  -4.736   8.862   5.673
  277   2HH2  ARG  40          2HH2      ARG  40  -5.853   8.858   4.350
  278    H    HIS  41           H        HIS  41   1.083   4.051  -0.239
  279    HA   HIS  41           HA       HIS  41   2.632   6.184  -1.500
  280   1HB   HIS  41          2HB       HIS  41   3.185   3.274  -0.967
  281   2HB   HIS  41          1HB       HIS  41   4.215   4.243  -2.017
  282    HD1  HIS  41           1HD      HIS  41   5.521   6.229  -0.853
  283    HD2  HIS  41           2HD      HIS  41   3.585   3.622   1.724
  284    HE1  HIS  41           1HE      HIS  41   6.504   6.667   1.422
  285    HE2  HIS  41           2HE      HIS  41   5.099   5.281   2.978
  286    H    LEU  42           H        LEU  42   0.628   3.413  -2.256
  287    HA   LEU  42           HA       LEU  42   1.220   3.064  -4.936
  288   1HB   LEU  42          2HB       LEU  42  -0.980   2.461  -3.097
  289   2HB   LEU  42          1HB       LEU  42  -1.455   2.581  -4.770
  290    HG   LEU  42           HG       LEU  42   0.254   0.549  -3.433
  291   1HD1  LEU  42          1HD1      LEU  42  -2.089   0.701  -5.252
  292   2HD1  LEU  42          2HD1      LEU  42  -1.862  -0.250  -3.779
  293   3HD1  LEU  42          3HD1      LEU  42  -1.083  -0.751  -5.280
  294   1HD2  LEU  42          1HD2      LEU  42   0.703   1.654  -6.154
  295   2HD2  LEU  42          2HD2      LEU  42   0.748  -0.098  -5.968
  296   3HD2  LEU  42          3HD2      LEU  42   1.843   0.916  -5.029
  297    H    SER  43           H        SER  43   0.794   4.194  -6.723
  298    HA   SER  43           HA       SER  43  -0.372   6.775  -6.560
  299   1HB   SER  43          2HB       SER  43   1.127   5.351  -8.465
  300   2HB   SER  43          1HB       SER  43  -0.397   5.792  -9.234
  301    HG   SER  43           HG       SER  43   0.306   7.750  -9.360
  302    H    ALA  44           H        ALA  44  -2.251   7.415  -7.891
  303    HA   ALA  44           HA       ALA  44  -4.517   5.950  -7.139
  304   1HB   ALA  44          1HB       ALA  44  -4.353   7.974  -9.366
  305   2HB   ALA  44          2HB       ALA  44  -4.493   8.389  -7.655
  306   3HB   ALA  44          3HB       ALA  44  -5.795   7.511  -8.459
  307    H    GLU  45           H        GLU  45  -2.574   5.935 -10.017
  308    HA   GLU  45           HA       GLU  45  -4.338   4.381 -11.571
  309   1HB   GLU  45          2HB       GLU  45  -1.408   5.020 -11.858
  310   2HB   GLU  45          1HB       GLU  45  -2.311   4.077 -13.036
  311   1HG   GLU  45          2HG       GLU  45  -2.275   6.236 -13.908
  312   2HG   GLU  45          1HG       GLU  45  -3.879   6.073 -13.192
  313    H    ASP  46           H        ASP  46  -2.087   3.753  -9.072
  314    HA   ASP  46           HA       ASP  46  -1.774   1.011  -9.840
  315   1HB   ASP  46          2HB       ASP  46  -0.571   2.627  -7.610
  316   2HB   ASP  46          1HB       ASP  46  -0.373   0.877  -7.715
  317    H    PHE  47           H        PHE  47  -3.130   2.851  -7.084
  318    HA   PHE  47           HA       PHE  47  -4.007   0.601  -5.685
  319   1HB   PHE  47          2HB       PHE  47  -4.036   2.829  -4.667
  320   2HB   PHE  47          1HB       PHE  47  -5.298   3.329  -5.794
  321    HD1  PHE  47           1HD      PHE  47  -7.502   2.116  -5.733
  322    HD2  PHE  47           2HD      PHE  47  -4.581   1.753  -2.668
  323    HE1  PHE  47           1HE      PHE  47  -9.221   1.240  -4.213
  324    HE2  PHE  47           2HE      PHE  47  -6.288   0.871  -1.140
  325    HZ   PHE  47           HZ       PHE  47  -8.620   0.612  -1.920
  326    H    SER  48           H        SER  48  -5.610   2.566  -8.043
  327    HA   SER  48           HA       SER  48  -8.055   1.322  -8.177
  328   1HB   SER  48          2HB       SER  48  -6.459   2.934 -10.087
  329   2HB   SER  48          1HB       SER  48  -7.860   2.069 -10.717
  330    HG   SER  48           HG       SER  48  -9.017   3.612  -9.911
  331    H    ARG  49           H        ARG  49  -5.073   0.419  -9.697
  332    HA   ARG  49           HA       ARG  49  -6.336  -1.791 -11.026
  333   1HB   ARG  49          2HB       ARG  49  -3.547  -0.702 -11.168
  334   2HB   ARG  49          1HB       ARG  49  -4.046  -2.162 -12.010
  335   1HG   ARG  49          2HG       ARG  49  -5.952  -0.421 -12.831
  336   2HG   ARG  49          1HG       ARG  49  -4.567   0.656 -12.638
  337   1HD   ARG  49          2HD       ARG  49  -3.993  -1.887 -13.995
  338   2HD   ARG  49          1HD       ARG  49  -5.084  -0.809 -14.864
  339    HE   ARG  49           HE       ARG  49  -2.832   0.623 -13.938
  340   1HH1  ARG  49          1HH1      ARG  49  -3.773  -1.712 -16.354
  341   2HH1  ARG  49          2HH1      ARG  49  -2.540  -1.237 -17.474
  342   1HH2  ARG  49          1HH2      ARG  49  -1.210   1.250 -15.408
  343   2HH2  ARG  49          2HH2      ARG  49  -1.084   0.445 -16.937
  344    H    VAL  50           H        VAL  50  -4.572  -1.149  -8.242
  345    HA   VAL  50           HA       VAL  50  -3.460  -3.742  -7.888
  346    HB   VAL  50           HB       VAL  50  -3.486  -1.224  -6.310
  347   1HG1  VAL  50          1HG1      VAL  50  -2.135  -3.622  -5.202
  348   2HG1  VAL  50          2HG1      VAL  50  -3.821  -3.330  -4.796
  349   3HG1  VAL  50          3HG1      VAL  50  -2.592  -2.135  -4.393
  350   1HG2  VAL  50          1HG2      VAL  50  -1.508  -1.024  -7.211
  351   2HG2  VAL  50          2HG2      VAL  50  -1.792  -2.475  -8.150
  352   3HG2  VAL  50          3HG2      VAL  50  -0.981  -2.573  -6.585
  353    H    PHE  51           H        PHE  51  -6.097  -1.900  -6.374
  354    HA   PHE  51           HA       PHE  51  -6.985  -4.396  -5.116
  355   1HB   PHE  51          2HB       PHE  51  -7.630  -1.576  -4.242
  356   2HB   PHE  51          1HB       PHE  51  -8.010  -3.064  -3.381
  357    HD1  PHE  51           1HD      PHE  51  -6.117  -4.460  -2.492
  358    HD2  PHE  51           2HD      PHE  51  -5.569  -0.495  -3.942
  359    HE1  PHE  51           1HE      PHE  51  -3.986  -4.312  -1.278
  360    HE2  PHE  51           2HE      PHE  51  -3.446  -0.333  -2.704
  361    HZ   PHE  51           HZ       PHE  51  -2.645  -2.250  -1.380
  362    H    ALA  52           H        ALA  52  -7.618  -2.816  -7.793
  363    HA   ALA  52           HA       ALA  52  -9.408  -2.476  -9.147
  364   1HB   ALA  52          1HB       ALA  52  -9.463  -4.975  -8.160
  365   2HB   ALA  52          2HB       ALA  52 -10.562  -4.380  -9.409
  366   3HB   ALA  52          3HB       ALA  52 -11.079  -4.418  -7.720
  367    H    MET  53           H        MET  53  -9.233  -0.818  -6.817
  368    HA   MET  53           HA       MET  53 -12.001   0.031  -6.646
  369   1HB   MET  53          2HB       MET  53 -10.286  -0.835  -4.398
  370   2HB   MET  53          1HB       MET  53 -11.181   0.654  -4.142
  371   1HG   MET  53          2HG       MET  53 -12.832  -0.651  -3.451
  372   2HG   MET  53          1HG       MET  53 -13.097  -1.008  -5.158
  373   1HE   MET  53          1HE       MET  53  -9.830  -2.306  -3.254
  374   2HE   MET  53          2HE       MET  53 -10.548  -3.649  -2.366
  375   3HE   MET  53          3HE       MET  53 -11.053  -1.996  -2.020
  376    H    SER  54           H        SER  54 -12.169   2.333  -5.937
  377    HA   SER  54           HA       SER  54 -10.147   3.885  -7.187
  378   1HB   SER  54          2HB       SER  54 -12.797   4.311  -6.187
  379   2HB   SER  54          1HB       SER  54 -11.726   5.601  -5.660
  380    HG   SER  54           HG       SER  54 -11.060   5.652  -7.963
  381    HA   PRO  55           HA       PRO  55  -7.388   4.669  -3.906
  382   1HB   PRO  55          2HB       PRO  55  -7.529   7.562  -4.552
  383   2HB   PRO  55          1HB       PRO  55  -6.126   6.486  -4.539
  384   1HG   PRO  55          2HG       PRO  55  -7.159   7.294  -6.853
  385   2HG   PRO  55          1HG       PRO  55  -6.612   5.618  -6.655
  386   1HD   PRO  55          2HD       PRO  55  -9.395   6.713  -6.560
  387   2HD   PRO  55          1HD       PRO  55  -8.781   5.257  -7.377
  388    H    GLU  56           H        GLU  56  -9.999   6.935  -4.254
  389    HA   GLU  56           HA       GLU  56 -10.111   7.819  -1.606
  390   1HB   GLU  56          2HB       GLU  56 -12.456   8.479  -2.355
  391   2HB   GLU  56          1HB       GLU  56 -11.112   9.245  -3.171
  392   1HG   GLU  56          2HG       GLU  56 -12.207   6.779  -4.365
  393   2HG   GLU  56          1HG       GLU  56 -13.229   8.210  -4.421
  394    H    GLU  57           H        GLU  57 -11.705   5.296  -3.443
  395    HA   GLU  57           HA       GLU  57 -13.691   4.491  -1.814
  396   1HB   GLU  57          2HB       GLU  57 -11.956   3.200  -3.771
  397   2HB   GLU  57          1HB       GLU  57 -12.644   2.101  -2.601
  398   1HG   GLU  57          2HG       GLU  57 -14.471   4.027  -3.900
  399   2HG   GLU  57          1HG       GLU  57 -13.849   2.700  -4.878
  400    H    PHE  58           H        PHE  58 -10.356   3.733  -1.650
  401    HA   PHE  58           HA       PHE  58 -10.355   2.131   0.648
  402   1HB   PHE  58          2HB       PHE  58  -8.441   2.908  -1.163
  403   2HB   PHE  58          1HB       PHE  58  -7.954   3.780   0.287
  404    HD1  PHE  58           1HD      PHE  58  -6.163   2.663   1.235
  405    HD2  PHE  58           2HD      PHE  58  -9.464   0.440  -0.212
  406    HE1  PHE  58           1HE      PHE  58  -5.162   0.607   2.130
  407    HE2  PHE  58           2HE      PHE  58  -8.477  -1.626   0.673
  408    HZ   PHE  58           HZ       PHE  58  -6.323  -1.531   1.839
  409    H    GLY  59           H        GLY  59  -9.847   5.612   0.141
  410   1HA   GLY  59          2HA       GLY  59  -9.275   6.341   2.772
  411   2HA   GLY  59          1HA       GLY  59 -10.077   7.377   1.600
  412    H    LYS  60           H        LYS  60 -12.253   5.245   1.424
  413    HA   LYS  60           HA       LYS  60 -13.755   6.219   3.667
  414   1HB   LYS  60          2HB       LYS  60 -14.418   5.434   0.931
  415   2HB   LYS  60          1HB       LYS  60 -15.585   4.910   2.136
  416   1HG   LYS  60          2HG       LYS  60 -16.187   7.063   1.157
  417   2HG   LYS  60          1HG       LYS  60 -15.875   7.197   2.889
  418   1HD   LYS  60          2HD       LYS  60 -14.734   9.026   2.069
  419   2HD   LYS  60          1HD       LYS  60 -13.457   7.807   2.120
  420   1HE   LYS  60          2HE       LYS  60 -13.687   7.386  -0.232
  421   2HE   LYS  60          1HE       LYS  60 -15.108   8.426  -0.325
  422   1HZ   LYS  60          1HZ       LYS  60 -13.537  10.246   0.492
  423   2HZ   LYS  60          2HZ       LYS  60 -13.386   9.742  -1.117
  424   3HZ   LYS  60          3HZ       LYS  60 -12.284   9.200   0.046
  425    H    LEU  61           H        LEU  61 -12.545   3.303   2.318
  426    HA   LEU  61           HA       LEU  61 -14.091   1.364   3.513
  427   1HB   LEU  61          2HB       LEU  61 -11.119   1.338   3.041
  428   2HB   LEU  61          1HB       LEU  61 -12.073  -0.072   3.443
  429    HG   LEU  61           HG       LEU  61 -12.203   1.557   0.916
  430   1HD1  LEU  61          1HD1      LEU  61 -11.867  -1.384   1.061
  431   2HD1  LEU  61          2HD1      LEU  61 -10.489  -0.359   1.434
  432   3HD1  LEU  61          3HD1      LEU  61 -11.275  -0.242  -0.141
  433   1HD2  LEU  61          1HD2      LEU  61 -14.158  -0.318   2.120
  434   2HD2  LEU  61          2HD2      LEU  61 -13.890  -0.402   0.380
  435   3HD2  LEU  61          3HD2      LEU  61 -14.431   1.106   1.118
  436    H    ALA  62           H        ALA  62 -13.010  -0.198   5.203
  437    HA   ALA  62           HA       ALA  62 -12.727   1.377   7.655
  438   1HB   ALA  62          1HB       ALA  62 -13.060  -1.617   7.486
  439   2HB   ALA  62          2HB       ALA  62 -14.427  -0.495   7.443
  440   3HB   ALA  62          3HB       ALA  62 -13.377  -0.549   8.857
  441    H    LEU  63           H        LEU  63 -11.367  -0.313   9.293
  442    HA   LEU  63           HA       LEU  63  -8.686  -0.080   8.233
  443   1HB   LEU  63          2HB       LEU  63  -9.807   0.203  10.769
  444   2HB   LEU  63          1HB       LEU  63  -8.851  -1.263  10.869
  445    HG   LEU  63           HG       LEU  63  -7.516   0.608  11.592
  446   1HD1  LEU  63          1HD1      LEU  63  -6.704  -1.242   9.817
  447   2HD1  LEU  63          2HD1      LEU  63  -5.638  -0.026  10.520
  448   3HD1  LEU  63          3HD1      LEU  63  -6.334   0.230   8.920
  449   1HD2  LEU  63          1HD2      LEU  63  -7.558   1.905   8.924
  450   2HD2  LEU  63          2HD2      LEU  63  -7.321   2.608  10.525
  451   3HD2  LEU  63          3HD2      LEU  63  -8.941   2.166   9.987
  452    H    TRP  64           H        TRP  64 -11.003  -2.478   8.890
  453    HA   TRP  64           HA       TRP  64  -9.207  -4.667   8.852
  454   1HB   TRP  64          2HB       TRP  64 -11.334  -6.025   8.829
  455   2HB   TRP  64          1HB       TRP  64 -11.156  -4.930  10.197
  456    HD1  TRP  64           HD       TRP  64 -12.745  -2.710  10.192
  457    HE1  TRP  64           1HE      TRP  64 -15.028  -2.301   9.059
  458    HE3  TRP  64           3HE      TRP  64 -12.689  -6.500   6.802
  459    HZ2  TRP  64           2HZ      TRP  64 -16.593  -3.428   7.034
  460    HZ3  TRP  64           3HZ      TRP  64 -14.620  -6.781   5.293
  461    HH2  TRP  64           HH       TRP  64 -16.529  -5.259   5.416
  462    H    LYS  65           H        LYS  65 -11.808  -3.576   6.669
  463    HA   LYS  65           HA       LYS  65 -11.247  -5.422   4.656
  464   1HB   LYS  65          2HB       LYS  65 -12.351  -3.610   3.140
  465   2HB   LYS  65          1HB       LYS  65 -13.315  -4.404   4.371
  466   1HG   LYS  65          2HG       LYS  65 -12.937  -2.456   5.841
  467   2HG   LYS  65          1HG       LYS  65 -12.110  -1.662   4.501
  468   1HD   LYS  65          2HD       LYS  65 -14.048  -1.038   3.614
  469   2HD   LYS  65          1HD       LYS  65 -14.638  -2.700   3.617
  470   1HE   LYS  65          2HE       LYS  65 -14.823  -1.986   6.257
  471   2HE   LYS  65          1HE       LYS  65 -15.226  -0.484   5.429
  472   1HZ   LYS  65          1HZ       LYS  65 -16.513  -3.094   4.842
  473   2HZ   LYS  65          2HZ       LYS  65 -16.969  -1.577   4.253
  474   3HZ   LYS  65          3HZ       LYS  65 -17.159  -1.936   5.894
  475    H    ARG  66           H        ARG  66  -9.925  -2.268   5.388
  476    HA   ARG  66           HA       ARG  66  -8.391  -1.896   3.069
  477   1HB   ARG  66          2HB       ARG  66  -8.512  -0.810   5.803
  478   2HB   ARG  66          1HB       ARG  66  -6.929  -0.723   5.057
  479   1HG   ARG  66          2HG       ARG  66  -8.478   0.215   3.048
  480   2HG   ARG  66          1HG       ARG  66  -9.392   0.758   4.455
  481   1HD   ARG  66          2HD       ARG  66  -7.524   2.274   3.452
  482   2HD   ARG  66          1HD       ARG  66  -7.690   2.124   5.200
  483    HE   ARG  66           HE       ARG  66  -5.865   0.232   4.033
  484   1HH1  ARG  66          1HH1      ARG  66  -6.209   3.448   5.349
  485   2HH1  ARG  66          2HH1      ARG  66  -4.541   3.580   5.796
  486   1HH2  ARG  66          1HH2      ARG  66  -3.670   0.403   4.625
  487   2HH2  ARG  66          2HH2      ARG  66  -3.099   1.851   5.383
  488    H    ASN  67           H        ASN  67  -7.778  -3.508   6.165
  489    HA   ASN  67           HA       ASN  67  -5.093  -4.160   5.677
  490   1HB   ASN  67          2HB       ASN  67  -7.178  -4.795   7.644
  491   2HB   ASN  67          1HB       ASN  67  -5.975  -6.056   7.430
  492   1HD2  ASN  67          1HD2      ASN  67  -6.612  -4.045   9.597
  493   2HD2  ASN  67          2HD2      ASN  67  -5.085  -3.321   9.960
  494    H    GLU  68           H        GLU  68  -8.103  -6.048   5.358
  495    HA   GLU  68           HA       GLU  68  -6.925  -8.395   4.471
  496   1HB   GLU  68          2HB       GLU  68  -9.684  -7.287   4.034
  497   2HB   GLU  68          1HB       GLU  68  -9.211  -8.901   3.523
  498   1HG   GLU  68          2HG       GLU  68  -8.501  -8.468   6.275
  499   2HG   GLU  68          1HG       GLU  68 -10.209  -8.122   6.009
  500    H    LEU  69           H        LEU  69  -7.415  -5.463   2.853
  501    HA   LEU  69           HA       LEU  69  -7.208  -6.653   0.201
  502   1HB   LEU  69          2HB       LEU  69  -7.627  -3.822   1.145
  503   2HB   LEU  69          1HB       LEU  69  -7.427  -4.255  -0.548
  504    HG   LEU  69           HG       LEU  69  -9.614  -5.311   1.234
  505   1HD1  LEU  69          1HD1      LEU  69  -9.479  -2.960  -0.608
  506   2HD1  LEU  69          2HD1      LEU  69 -10.200  -3.085   0.996
  507   3HD1  LEU  69          3HD1      LEU  69 -10.998  -3.829  -0.389
  508   1HD2  LEU  69          1HD2      LEU  69  -8.587  -6.337  -1.098
  509   2HD2  LEU  69          2HD2      LEU  69  -9.974  -5.394  -1.650
  510   3HD2  LEU  69          3HD2      LEU  69 -10.192  -6.661  -0.441
  511    H    LYS  70           H        LYS  70  -5.511  -4.180   2.093
  512    HA   LYS  70           HA       LYS  70  -3.428  -3.669   0.396
  513   1HB   LYS  70          2HB       LYS  70  -2.668  -2.409   2.090
  514   2HB   LYS  70          1HB       LYS  70  -4.151  -2.868   2.894
  515   1HG   LYS  70          2HG       LYS  70  -2.626  -4.911   3.671
  516   2HG   LYS  70          1HG       LYS  70  -1.372  -3.694   3.429
  517   1HD   LYS  70          2HD       LYS  70  -3.797  -2.871   4.919
  518   2HD   LYS  70          1HD       LYS  70  -2.676  -3.963   5.736
  519   1HE   LYS  70          2HE       LYS  70  -0.874  -2.416   5.477
  520   2HE   LYS  70          1HE       LYS  70  -1.840  -1.384   4.423
  521   1HZ   LYS  70          1HZ       LYS  70  -1.602  -0.633   6.794
  522   2HZ   LYS  70          2HZ       LYS  70  -2.588  -1.935   7.234
  523   3HZ   LYS  70          3HZ       LYS  70  -3.190  -0.726   6.215
  524    H    LYS  71           H        LYS  71  -3.910  -6.450   2.426
  525    HA   LYS  71           HA       LYS  71  -1.251  -7.415   2.159
  526   1HB   LYS  71          2HB       LYS  71  -2.172  -9.562   3.019
  527   2HB   LYS  71          1HB       LYS  71  -2.555  -8.183   4.041
  528   1HG   LYS  71          2HG       LYS  71  -4.784  -8.086   3.161
  529   2HG   LYS  71          1HG       LYS  71  -4.418  -9.355   1.994
  530   1HD   LYS  71          2HD       LYS  71  -5.529 -10.504   3.684
  531   2HD   LYS  71          1HD       LYS  71  -3.829 -10.777   4.069
  532   1HE   LYS  71          2HE       LYS  71  -4.925  -8.355   5.278
  533   2HE   LYS  71          1HE       LYS  71  -5.736  -9.830   5.802
  534   1HZ   LYS  71          1HZ       LYS  71  -3.543 -10.747   6.366
  535   2HZ   LYS  71          2HZ       LYS  71  -3.902  -9.352   7.254
  536   3HZ   LYS  71          3HZ       LYS  71  -2.824  -9.271   5.955
  537    H    LYS  72           H        LYS  72  -4.136  -7.627   0.327
  538    HA   LYS  72           HA       LYS  72  -3.477  -9.788  -1.301
  539   1HB   LYS  72          2HB       LYS  72  -5.136  -7.380  -2.036
  540   2HB   LYS  72          1HB       LYS  72  -5.138  -8.927  -2.872
  541   1HG   LYS  72          2HG       LYS  72  -5.970  -8.544  -0.008
  542   2HG   LYS  72          1HG       LYS  72  -7.081  -8.588  -1.378
  543   1HD   LYS  72          2HD       LYS  72  -6.768 -10.838  -1.731
  544   2HD   LYS  72          1HD       LYS  72  -5.151 -10.831  -1.024
  545   1HE   LYS  72          2HE       LYS  72  -6.279 -10.381   1.200
  546   2HE   LYS  72          1HE       LYS  72  -7.802 -10.762   0.396
  547   1HZ   LYS  72          1HZ       LYS  72  -7.303 -12.827   1.091
  548   2HZ   LYS  72          2HZ       LYS  72  -5.643 -12.525   1.205
  549   3HZ   LYS  72          3HZ       LYS  72  -6.338 -12.869  -0.298
  550    H    ALA  73           H        ALA  73  -2.634  -6.457  -1.301
  551    HA   ALA  73           HA       ALA  73  -1.205  -6.667  -3.806
  552   1HB   ALA  73          1HB       ALA  73  -1.744  -4.329  -1.998
  553   2HB   ALA  73          2HB       ALA  73  -2.504  -4.682  -3.548
  554   3HB   ALA  73          3HB       ALA  73  -0.799  -4.233  -3.484
  555    H    SER  74           H        SER  74  -0.579  -7.340  -0.611
  556    HA   SER  74           HA       SER  74   1.360  -7.928   0.439
  557   1HB   SER  74          2HB       SER  74   2.163  -8.367  -1.993
  558   2HB   SER  74          1HB       SER  74   3.010  -6.830  -1.824
  559    HG   SER  74           HG       SER  74   3.266  -8.917   0.067
  560    H    LEU  75           H        LEU  75   0.142  -5.084   0.058
  561    HA   LEU  75           HA       LEU  75   2.334  -3.361   0.765
  562   1HB   LEU  75          2HB       LEU  75  -0.639  -2.828   0.853
  563   2HB   LEU  75          1HB       LEU  75   0.631  -1.625   0.949
  564    HG   LEU  75           HG       LEU  75  -0.269  -3.211  -1.429
  565   1HD1  LEU  75          1HD1      LEU  75  -0.539  -1.101  -2.458
  566   2HD1  LEU  75          2HD1      LEU  75   0.362  -0.282  -1.178
  567   3HD1  LEU  75          3HD1      LEU  75  -1.232  -0.955  -0.840
  568   1HD2  LEU  75          1HD2      LEU  75   2.005  -3.560  -1.640
  569   2HD2  LEU  75          2HD2      LEU  75   2.419  -2.001  -0.925
  570   3HD2  LEU  75          3HD2      LEU  75   1.753  -2.073  -2.557
  571    H    PHE  76           H        PHE  76   0.148  -5.417   2.421
  572    HA   PHE  76           HA       PHE  76  -0.139  -4.168   4.878
  573   1HB   PHE  76          2HB       PHE  76  -1.101  -6.423   3.954
  574   2HB   PHE  76          1HB       PHE  76   0.313  -7.125   4.734
  575    HD1  PHE  76           1HD      PHE  76  -3.013  -6.668   5.182
  576    HD2  PHE  76           2HD      PHE  76   0.650  -5.920   7.215
  577    HE1  PHE  76           1HE      PHE  76  -4.204  -6.683   7.329
  578    HE2  PHE  76           2HE      PHE  76  -0.540  -5.929   9.369
  579    HZ   PHE  76           HZ       PHE  76  -2.973  -6.311   9.426
  Start of MODEL    4
    1    HA   PRO   9           HA       PRO   9   0.094  15.819   5.834
    2   1HB   PRO   9          2HB       PRO   9  -0.689  15.937   3.045
    3   2HB   PRO   9          1HB       PRO   9  -1.185  16.975   4.388
    4   1HG   PRO   9          2HG       PRO   9   0.434  17.823   2.369
    5   2HG   PRO   9          1HG       PRO   9   0.492  18.486   4.012
    6   1HD   PRO   9          2HD       PRO   9   2.278  16.439   2.730
    7   2HD   PRO   9          1HD       PRO   9   2.712  17.818   3.758
    8    H    GLY  10           H        GLY  10   1.803  14.440   3.064
    9   1HA   GLY  10          2HA       GLY  10   1.042  11.779   3.898
   10   2HA   GLY  10          1HA       GLY  10   0.338  12.277   2.366
   11    H    LEU  11           H        LEU  11   2.108  10.095   2.710
   12    HA   LEU  11           HA       LEU  11   4.751  10.778   1.992
   13   1HB   LEU  11          2HB       LEU  11   3.532   8.131   1.325
   14   2HB   LEU  11          1HB       LEU  11   5.166   8.494   1.846
   15    HG   LEU  11           HG       LEU  11   3.728   9.262   4.037
   16   1HD1  LEU  11          1HD1      LEU  11   2.087   7.402   2.494
   17   2HD1  LEU  11          2HD1      LEU  11   1.651   8.463   3.835
   18   3HD1  LEU  11          3HD1      LEU  11   2.376   6.887   4.156
   19   1HD2  LEU  11          1HD2      LEU  11   5.524   7.170   3.286
   20   2HD2  LEU  11          2HD2      LEU  11   4.306   6.523   4.385
   21   3HD2  LEU  11          3HD2      LEU  11   5.281   7.913   4.866
   22    H    GLN  12           H        GLN  12   5.799  10.603  -0.025
   23    HA   GLN  12           HA       GLN  12   4.297  11.495  -2.221
   24   1HB   GLN  12          2HB       GLN  12   6.383  12.271  -2.535
   25   2HB   GLN  12          1HB       GLN  12   7.094  11.005  -1.553
   26   1HG   GLN  12          2HG       GLN  12   8.056  10.490  -3.513
   27   2HG   GLN  12          1HG       GLN  12   6.572   9.569  -3.724
   28   1HE2  GLN  12          1HE2      GLN  12   5.398   9.957  -5.486
   29   2HE2  GLN  12          2HE2      GLN  12   5.581  11.314  -6.537
   30    H    ILE  13           H        ILE  13   3.689  10.462  -4.108
   31    HA   ILE  13           HA       ILE  13   2.937   7.746  -3.880
   32    HB   ILE  13           HB       ILE  13   3.005   9.505  -6.326
   33   1HG1  ILE  13          2HG1      ILE  13   1.717  10.291  -4.248
   34   2HG1  ILE  13          1HG1      ILE  13   0.852  10.245  -5.776
   35   1HG2  ILE  13          1HG2      ILE  13   2.048   6.759  -5.864
   36   2HG2  ILE  13          2HG2      ILE  13   2.529   7.568  -7.355
   37   3HG2  ILE  13          3HG2      ILE  13   0.921   7.832  -6.691
   38   1HD1  ILE  13          1HD1      ILE  13   0.644   7.769  -4.262
   39   2HD1  ILE  13          2HD1      ILE  13  -0.614   8.750  -5.015
   40   3HD1  ILE  13          3HD1      ILE  13  -0.006   9.173  -3.414
   41    H    TYR  14           H        TYR  14   3.832   5.923  -4.597
   42    HA   TYR  14           HA       TYR  14   6.312   6.106  -6.179
   43   1HB   TYR  14          2HB       TYR  14   5.578   4.095  -4.036
   44   2HB   TYR  14          1HB       TYR  14   7.010   3.993  -5.052
   45    HD1  TYR  14           1HD      TYR  14   7.217   7.223  -4.856
   46    HD2  TYR  14           2HD      TYR  14   7.112   3.999  -2.083
   47    HE1  TYR  14           1HE      TYR  14   8.465   8.584  -3.234
   48    HE2  TYR  14           2HE      TYR  14   8.356   5.352  -0.453
   49    HH   TYR  14           HH       TYR  14   9.851   7.267  -0.406
   50    HA   PRO  15           HA       PRO  15   4.273   3.484  -9.081
   51   1HB   PRO  15          2HB       PRO  15   6.340   2.300 -10.325
   52   2HB   PRO  15          1HB       PRO  15   6.026   4.033 -10.482
   53   1HG   PRO  15          2HG       PRO  15   8.014   2.617  -8.752
   54   2HG   PRO  15          1HG       PRO  15   8.215   4.097  -9.708
   55   1HD   PRO  15          2HD       PRO  15   7.743   4.070  -7.005
   56   2HD   PRO  15          1HD       PRO  15   7.304   5.417  -8.073
   57    H    TYR  16           H        TYR  16   4.078   2.345  -6.598
   58    HA   TYR  16           HA       TYR  16   3.805   0.379  -5.481
   59   1HB   TYR  16          2HB       TYR  16   2.294   0.039  -7.409
   60   2HB   TYR  16          1HB       TYR  16   3.607  -0.762  -8.261
   61    HD1  TYR  16           1HD      TYR  16   2.118  -1.029  -4.827
   62    HD2  TYR  16           2HD      TYR  16   3.355  -3.040  -8.365
   63    HE1  TYR  16           1HE      TYR  16   1.426  -3.170  -3.838
   64    HE2  TYR  16           2HE      TYR  16   2.663  -5.189  -7.390
   65    HH   TYR  16           HH       TYR  16   2.163  -5.701  -4.240
   66    H    GLU  17           H        GLU  17   5.517  -0.807  -8.283
   67    HA   GLU  17           HA       GLU  17   6.967  -2.822  -7.194
   68   1HB   GLU  17          2HB       GLU  17   7.463  -0.987  -9.487
   69   2HB   GLU  17          1HB       GLU  17   8.764  -2.059  -8.987
   70   1HG   GLU  17          2HG       GLU  17   7.534  -3.979  -9.489
   71   2HG   GLU  17          1HG       GLU  17   6.008  -3.096  -9.535
   72    H    MET  18           H        MET  18   7.520   0.564  -6.788
   73    HA   MET  18           HA       MET  18  10.216   0.469  -5.982
   74   1HB   MET  18          2HB       MET  18   8.029   2.428  -5.915
   75   2HB   MET  18          1HB       MET  18   9.193   2.610  -4.610
   76   1HG   MET  18          2HG       MET  18   9.913   2.491  -7.527
   77   2HG   MET  18          1HG       MET  18   9.692   3.979  -6.610
   78   1HE   MET  18          1HE       MET  18  12.758   4.417  -4.545
   79   2HE   MET  18          2HE       MET  18  11.238   3.822  -3.881
   80   3HE   MET  18          3HE       MET  18  11.226   5.035  -5.163
   81    H    LEU  19           H        LEU  19   7.348  -0.542  -4.505
   82    HA   LEU  19           HA       LEU  19   8.652  -0.769  -1.875
   83   1HB   LEU  19          2HB       LEU  19   5.697  -0.760  -2.417
   84   2HB   LEU  19          1HB       LEU  19   6.497  -0.592  -0.863
   85    HG   LEU  19           HG       LEU  19   7.162   1.494  -2.830
   86   1HD1  LEU  19          1HD1      LEU  19   5.131   2.327  -3.249
   87   2HD1  LEU  19          2HD1      LEU  19   4.576   2.033  -1.604
   88   3HD1  LEU  19          3HD1      LEU  19   4.524   0.737  -2.795
   89   1HD2  LEU  19          1HD2      LEU  19   7.161   1.108  -0.019
   90   2HD2  LEU  19          2HD2      LEU  19   6.083   2.457  -0.379
   91   3HD2  LEU  19          3HD2      LEU  19   7.755   2.492  -0.937
   92    H    VAL  20           H        VAL  20   6.850  -2.348  -4.404
   93    HA   VAL  20           HA       VAL  20   5.887  -4.632  -3.351
   94    HB   VAL  20           HB       VAL  20   7.384  -4.325  -5.950
   95   1HG1  VAL  20          1HG1      VAL  20   5.690  -6.614  -4.966
   96   2HG1  VAL  20          2HG1      VAL  20   7.389  -6.666  -5.437
   97   3HG1  VAL  20          3HG1      VAL  20   6.145  -6.374  -6.654
   98   1HG2  VAL  20          1HG2      VAL  20   4.457  -4.290  -5.250
   99   2HG2  VAL  20          2HG2      VAL  20   5.103  -4.242  -6.890
  100   3HG2  VAL  20          3HG2      VAL  20   5.435  -2.921  -5.770
  101    H    VAL  21           H        VAL  21   7.005  -5.481  -1.615
  102    HA   VAL  21           HA       VAL  21   9.548  -6.760  -2.251
  103    HB   VAL  21           HB       VAL  21   8.546  -5.839   0.441
  104   1HG1  VAL  21          1HG1      VAL  21  10.884  -7.522  -0.354
  105   2HG1  VAL  21          2HG1      VAL  21   9.761  -7.726   0.990
  106   3HG1  VAL  21          3HG1      VAL  21  10.995  -6.468   1.055
  107   1HG2  VAL  21          1HG2      VAL  21   9.758  -4.359  -1.519
  108   2HG2  VAL  21          2HG2      VAL  21  11.118  -4.845  -0.509
  109   3HG2  VAL  21          3HG2      VAL  21   9.758  -3.977   0.202
  110    H    THR  22           H        THR  22   9.268  -8.865  -2.600
  111    HA   THR  22           HA       THR  22   7.203 -10.280  -1.119
  112    HB   THR  22           HB       THR  22   8.184 -11.865  -3.238
  113    HG1  THR  22           1HG      THR  22   7.508  -9.228  -4.008
  114   1HG2  THR  22          1HG2      THR  22   5.605 -10.357  -3.295
  115   2HG2  THR  22          2HG2      THR  22   5.854 -11.755  -2.249
  116   3HG2  THR  22          3HG2      THR  22   5.981 -11.929  -4.000
  117    H    ASN  23           H        ASN  23   7.661 -12.521  -0.510
  118    HA   ASN  23           HA       ASN  23   8.886 -14.044   0.655
  119   1HB   ASN  23          2HB       ASN  23  10.938 -13.196  -1.394
  120   2HB   ASN  23          1HB       ASN  23  11.177 -14.540  -0.281
  121   1HD2  ASN  23          1HD2      ASN  23   8.979 -15.921  -0.234
  122   2HD2  ASN  23          2HD2      ASN  23   8.497 -16.460  -1.804
  123    H    LYS  24           H        LYS  24  10.931 -14.356   1.997
  124    HA   LYS  24           HA       LYS  24  11.145 -12.378   3.901
  125   1HB   LYS  24          2HB       LYS  24  13.245 -13.551   4.614
  126   2HB   LYS  24          1HB       LYS  24  11.844 -14.598   4.427
  127   1HG   LYS  24          2HG       LYS  24  13.276 -14.470   1.953
  128   2HG   LYS  24          1HG       LYS  24  14.386 -14.874   3.262
  129   1HD   LYS  24          2HD       LYS  24  13.668 -16.979   3.002
  130   2HD   LYS  24          1HD       LYS  24  12.196 -16.443   3.815
  131   1HE   LYS  24          2HE       LYS  24  11.010 -16.833   1.979
  132   2HE   LYS  24          1HE       LYS  24  12.033 -15.732   1.058
  133   1HZ   LYS  24          1HZ       LYS  24  13.592 -17.591   0.724
  134   2HZ   LYS  24          2HZ       LYS  24  12.070 -17.892   0.051
  135   3HZ   LYS  24          3HZ       LYS  24  12.509 -18.628   1.508
  136    H    GLY  25           H        GLY  25  12.789 -10.871   4.437
  137   1HA   GLY  25          2HA       GLY  25  15.058 -10.286   2.942
  138   2HA   GLY  25          1HA       GLY  25  13.741  -9.364   2.231
  139    H    ARG  26           H        ARG  26  12.315  -8.831   4.628
  140    HA   ARG  26           HA       ARG  26  12.166  -7.071   6.074
  141   1HB   ARG  26          2HB       ARG  26  14.568  -8.632   6.952
  142   2HB   ARG  26          1HB       ARG  26  14.052  -7.212   7.851
  143   1HG   ARG  26          2HG       ARG  26  12.504  -9.745   7.373
  144   2HG   ARG  26          1HG       ARG  26  13.129  -9.134   8.906
  145   1HD   ARG  26          2HD       ARG  26  11.635  -7.116   8.544
  146   2HD   ARG  26          1HD       ARG  26  10.880  -8.033   7.240
  147    HE   ARG  26           HE       ARG  26  10.857  -9.649   9.498
  148   1HH1  ARG  26          1HH1      ARG  26   9.482  -6.608   8.477
  149   2HH1  ARG  26          2HH1      ARG  26   8.076  -6.765   9.475
  150   1HH2  ARG  26          1HH2      ARG  26   9.009  -9.858  10.812
  151   2HH2  ARG  26          2HH2      ARG  26   7.807  -8.610  10.801
  152    H    THR  27           H        THR  27  13.587  -6.475   3.583
  153    HA   THR  27           HA       THR  27  15.830  -4.858   4.117
  154    HB   THR  27           HB       THR  27  15.850  -5.395   1.917
  155    HG1  THR  27           1HG      THR  27  15.961  -3.167   1.930
  156   1HG2  THR  27          1HG2      THR  27  12.871  -5.174   1.962
  157   2HG2  THR  27          2HG2      THR  27  13.883  -6.549   1.514
  158   3HG2  THR  27          3HG2      THR  27  13.762  -5.155   0.438
  159    H    LYS  28           H        LYS  28  15.969  -2.554   3.718
  160    HA   LYS  28           HA       LYS  28  14.025  -1.152   5.310
  161   1HB   LYS  28          2HB       LYS  28  16.435  -0.118   3.803
  162   2HB   LYS  28          1HB       LYS  28  15.485   0.806   4.960
  163   1HG   LYS  28          2HG       LYS  28  16.437  -1.718   6.046
  164   2HG   LYS  28          1HG       LYS  28  17.743  -0.658   5.514
  165   1HD   LYS  28          2HD       LYS  28  15.760   0.861   6.935
  166   2HD   LYS  28          1HD       LYS  28  16.275  -0.518   7.909
  167   1HE   LYS  28          2HE       LYS  28  18.214   1.347   6.562
  168   2HE   LYS  28          1HE       LYS  28  17.603   1.621   8.194
  169   1HZ   LYS  28          1HZ       LYS  28  18.684  -1.024   7.660
  170   2HZ   LYS  28          2HZ       LYS  28  18.841  -0.046   9.031
  171   3HZ   LYS  28          3HZ       LYS  28  19.808   0.241   7.673
  172    H    LEU  29           H        LEU  29  12.472   0.245   4.656
  173    HA   LEU  29           HA       LEU  29  11.684   0.171   1.913
  174   1HB   LEU  29          2HB       LEU  29  10.436   1.897   4.021
  175   2HB   LEU  29          1HB       LEU  29   9.684   1.207   2.592
  176    HG   LEU  29           HG       LEU  29  10.644  -0.449   4.921
  177   1HD1  LEU  29          1HD1      LEU  29   8.512   1.347   4.919
  178   2HD1  LEU  29          2HD1      LEU  29   8.800   0.032   6.062
  179   3HD1  LEU  29          3HD1      LEU  29   7.781  -0.237   4.647
  180   1HD2  LEU  29          1HD2      LEU  29   9.369  -0.992   2.323
  181   2HD2  LEU  29          2HD2      LEU  29   8.673  -1.839   3.705
  182   3HD2  LEU  29          3HD2      LEU  29  10.387  -2.024   3.329
  183    HA   PRO  30           HA       PRO  30  13.170   3.927   0.149
  184   1HB   PRO  30          2HB       PRO  30  10.328   4.863   0.050
  185   2HB   PRO  30          1HB       PRO  30  11.553   4.861  -1.225
  186   1HG   PRO  30          2HG       PRO  30   9.643   3.026  -1.220
  187   2HG   PRO  30          1HG       PRO  30  11.310   2.582  -1.634
  188   1HD   PRO  30          2HD       PRO  30   9.780   2.078   0.876
  189   2HD   PRO  30          1HD       PRO  30  10.999   1.067   0.075
  190    HA   PRO  31           HA       PRO  31  13.467   7.079   3.221
  191   1HB   PRO  31          2HB       PRO  31  13.306   9.408   1.781
  192   2HB   PRO  31          1HB       PRO  31  14.750   8.393   1.862
  193   1HG   PRO  31          2HG       PRO  31  12.646   8.530  -0.261
  194   2HG   PRO  31          1HG       PRO  31  14.407   8.403  -0.433
  195   1HD   PRO  31          2HD       PRO  31  12.796   6.270  -0.730
  196   2HD   PRO  31          1HD       PRO  31  14.411   6.127  -0.007
  197    H    GLY  32           H        GLY  32  11.505   6.688   4.326
  198   1HA   GLY  32          2HA       GLY  32   9.742   7.862   5.396
  199   2HA   GLY  32          1HA       GLY  32   9.532   8.822   3.940
  200    H    VAL  33           H        VAL  33   9.308   5.416   4.972
  201    HA   VAL  33           HA       VAL  33   6.866   5.204   3.431
  202    HB   VAL  33           HB       VAL  33   8.991   3.161   3.780
  203   1HG1  VAL  33          1HG1      VAL  33   6.219   2.830   2.675
  204   2HG1  VAL  33          2HG1      VAL  33   6.929   1.980   4.045
  205   3HG1  VAL  33          3HG1      VAL  33   7.521   1.670   2.413
  206   1HG2  VAL  33          1HG2      VAL  33   8.359   5.062   1.780
  207   2HG2  VAL  33          2HG2      VAL  33   8.185   3.441   1.108
  208   3HG2  VAL  33          3HG2      VAL  33   9.714   3.937   1.839
  209    H    ASP  34           H        ASP  34   5.251   3.881   4.165
  210    HA   ASP  34           HA       ASP  34   5.308   3.517   7.068
  211   1HB   ASP  34          2HB       ASP  34   3.596   4.940   5.469
  212   2HB   ASP  34          1HB       ASP  34   2.712   3.428   5.694
  213    H    ARG  35           H        ARG  35   6.033   1.436   7.292
  214    HA   ARG  35           HA       ARG  35   5.457  -0.746   5.673
  215   1HB   ARG  35          2HB       ARG  35   6.024  -2.133   7.676
  216   2HB   ARG  35          1HB       ARG  35   7.213  -0.893   7.302
  217   1HG   ARG  35          2HG       ARG  35   6.170   0.541   9.051
  218   2HG   ARG  35          1HG       ARG  35   5.141  -0.826   9.483
  219   1HD   ARG  35          2HD       ARG  35   6.836  -1.148  10.974
  220   2HD   ARG  35          1HD       ARG  35   7.469  -2.073   9.613
  221    HE   ARG  35           HE       ARG  35   9.203  -0.607   9.525
  222   1HH1  ARG  35          1HH1      ARG  35   6.513   0.998  11.064
  223   2HH1  ARG  35          2HH1      ARG  35   7.407   2.442  11.402
  224   1HH2  ARG  35          1HH2      ARG  35  10.380   1.291   9.971
  225   2HH2  ARG  35          2HH2      ARG  35   9.603   2.609  10.783
  226    H    MET  36           H        MET  36   3.567   0.749   8.189
  227    HA   MET  36           HA       MET  36   1.632  -1.390   8.194
  228   1HB   MET  36          2HB       MET  36   1.387   1.198   9.697
  229   2HB   MET  36          1HB       MET  36   0.644  -0.351  10.069
  230   1HG   MET  36          2HG       MET  36   3.186  -1.086  10.266
  231   2HG   MET  36          1HG       MET  36   3.382   0.628  10.622
  232   1HE   MET  36          1HE       MET  36   1.007  -2.142  11.040
  233   2HE   MET  36          2HE       MET  36   0.079  -1.664  12.462
  234   3HE   MET  36          3HE       MET  36   1.460  -2.748  12.633
  235    H    ARG  37           H        ARG  37   2.199   1.388   6.405
  236    HA   ARG  37           HA       ARG  37  -0.484   1.280   5.299
  237   1HB   ARG  37          2HB       ARG  37   0.534   3.509   6.919
  238   2HB   ARG  37          1HB       ARG  37  -0.124   3.997   5.363
  239   1HG   ARG  37          2HG       ARG  37  -2.028   4.091   6.575
  240   2HG   ARG  37          1HG       ARG  37  -2.091   2.384   6.134
  241   1HD   ARG  37          2HD       ARG  37  -2.400   2.157   8.370
  242   2HD   ARG  37          1HD       ARG  37  -0.637   2.176   8.355
  243    HE   ARG  37           HE       ARG  37  -1.286   4.790   8.624
  244   1HH1  ARG  37          1HH1      ARG  37  -2.209   1.907  10.359
  245   2HH1  ARG  37          2HH1      ARG  37  -2.434   2.734  11.864
  246   1HH2  ARG  37          1HH2      ARG  37  -1.581   5.879  10.600
  247   2HH2  ARG  37          2HH2      ARG  37  -2.078   4.989  12.001
  248    H    LEU  38           H        LEU  38   1.053   0.259   3.720
  249    HA   LEU  38           HA       LEU  38   2.831   1.969   2.278
  250   1HB   LEU  38          2HB       LEU  38   2.138  -0.842   2.371
  251   2HB   LEU  38          1HB       LEU  38   2.285  -0.286   0.723
  252    HG   LEU  38           HG       LEU  38   4.426  -1.011   1.114
  253   1HD1  LEU  38          1HD1      LEU  38   4.513   1.808   2.161
  254   2HD1  LEU  38          2HD1      LEU  38   4.572   1.328   0.465
  255   3HD1  LEU  38          3HD1      LEU  38   5.893   0.894   1.552
  256   1HD2  LEU  38          1HD2      LEU  38   3.747  -0.453   3.921
  257   2HD2  LEU  38          2HD2      LEU  38   5.448  -0.266   3.496
  258   3HD2  LEU  38          3HD2      LEU  38   4.631  -1.803   3.211
  259    H    GLU  39           H        GLU  39  -0.429   0.983   2.026
  260    HA   GLU  39           HA       GLU  39  -1.071   1.375  -0.627
  261   1HB   GLU  39          2HB       GLU  39  -3.333   1.715   0.062
  262   2HB   GLU  39          1HB       GLU  39  -2.614   0.564   1.178
  263   1HG   GLU  39          2HG       GLU  39  -2.985   3.503   1.711
  264   2HG   GLU  39          1HG       GLU  39  -4.033   2.215   2.305
  265    H    ARG  40           H        ARG  40  -0.293   3.735   1.795
  266    HA   ARG  40           HA       ARG  40  -1.358   5.985   0.466
  267   1HB   ARG  40          2HB       ARG  40   0.834   5.847   2.533
  268   2HB   ARG  40          1HB       ARG  40  -0.013   7.309   2.042
  269   1HG   ARG  40          2HG       ARG  40  -1.965   5.400   2.795
  270   2HG   ARG  40          1HG       ARG  40  -0.721   5.421   4.045
  271   1HD   ARG  40          2HD       ARG  40  -1.430   8.094   3.158
  272   2HD   ARG  40          1HD       ARG  40  -2.824   7.206   3.771
  273    HE   ARG  40           HE       ARG  40  -0.748   6.851   5.587
  274   1HH1  ARG  40          1HH1      ARG  40  -2.711   9.460   4.356
  275   2HH1  ARG  40          2HH1      ARG  40  -2.608  10.392   5.812
  276   1HH2  ARG  40          1HH2      ARG  40  -0.612   8.075   7.504
  277   2HH2  ARG  40          2HH2      ARG  40  -1.417   9.605   7.599
  278    H    HIS  41           H        HIS  41   1.177   4.033  -0.368
  279    HA   HIS  41           HA       HIS  41   2.731   6.184  -1.608
  280   1HB   HIS  41          2HB       HIS  41   3.307   3.274  -1.100
  281   2HB   HIS  41          1HB       HIS  41   4.322   4.260  -2.147
  282    HD1  HIS  41           1HD      HIS  41   5.683   6.183  -0.988
  283    HD2  HIS  41           2HD      HIS  41   3.668   3.653   1.608
  284    HE1  HIS  41           1HE      HIS  41   6.660   6.629   1.287
  285    HE2  HIS  41           2HE      HIS  41   5.231   5.274   2.854
  286    H    LEU  42           H        LEU  42   0.709   3.424  -2.360
  287    HA   LEU  42           HA       LEU  42   1.291   3.074  -5.046
  288   1HB   LEU  42          2HB       LEU  42  -0.905   2.470  -3.206
  289   2HB   LEU  42          1HB       LEU  42  -1.389   2.609  -4.874
  290    HG   LEU  42           HG       LEU  42   0.320   0.553  -3.569
  291   1HD1  LEU  42          1HD1      LEU  42  -2.072   0.749  -5.301
  292   2HD1  LEU  42          2HD1      LEU  42  -1.763  -0.295  -3.909
  293   3HD1  LEU  42          3HD1      LEU  42  -1.054  -0.684  -5.476
  294   1HD2  LEU  42          1HD2      LEU  42   0.746   1.684  -6.282
  295   2HD2  LEU  42          2HD2      LEU  42   0.782  -0.071  -6.116
  296   3HD2  LEU  42          3HD2      LEU  42   1.895   0.926  -5.178
  297    H    SER  43           H        SER  43   0.745   4.096  -6.867
  298    HA   SER  43           HA       SER  43  -0.369   6.722  -6.710
  299   1HB   SER  43          2HB       SER  43   1.159   5.304  -8.587
  300   2HB   SER  43          1HB       SER  43  -0.369   5.694  -9.375
  301    HG   SER  43           HG       SER  43   1.622   7.283  -9.159
  302    H    ALA  44           H        ALA  44  -2.230   7.342  -8.083
  303    HA   ALA  44           HA       ALA  44  -4.506   5.887  -7.337
  304   1HB   ALA  44          1HB       ALA  44  -4.306   7.884  -9.584
  305   2HB   ALA  44          2HB       ALA  44  -4.478   8.318  -7.882
  306   3HB   ALA  44          3HB       ALA  44  -5.764   7.429  -8.700
  307    H    GLU  45           H        GLU  45  -2.517   5.839 -10.180
  308    HA   GLU  45           HA       GLU  45  -4.250   4.267 -11.750
  309   1HB   GLU  45          2HB       GLU  45  -1.276   4.646 -12.067
  310   2HB   GLU  45          1HB       GLU  45  -2.403   4.101 -13.303
  311   1HG   GLU  45          2HG       GLU  45  -3.429   6.537 -12.474
  312   2HG   GLU  45          1HG       GLU  45  -1.684   6.783 -12.505
  313    H    ASP  46           H        ASP  46  -2.011   3.658  -9.221
  314    HA   ASP  46           HA       ASP  46  -1.754   0.896  -9.964
  315   1HB   ASP  46          2HB       ASP  46  -0.448   2.513  -7.794
  316   2HB   ASP  46          1HB       ASP  46  -0.290   0.758  -7.886
  317    H    PHE  47           H        PHE  47  -3.044   2.845  -7.273
  318    HA   PHE  47           HA       PHE  47  -3.905   0.675  -5.740
  319   1HB   PHE  47          2HB       PHE  47  -3.917   2.942  -4.837
  320   2HB   PHE  47          1HB       PHE  47  -5.166   3.405  -5.993
  321    HD1  PHE  47           1HD      PHE  47  -7.407   2.281  -5.859
  322    HD2  PHE  47           2HD      PHE  47  -4.471   1.943  -2.801
  323    HE1  PHE  47           1HE      PHE  47  -9.140   1.529  -4.288
  324    HE2  PHE  47           2HE      PHE  47  -6.193   1.187  -1.227
  325    HZ   PHE  47           HZ       PHE  47  -8.539   0.980  -1.972
  326    H    SER  48           H        SER  48  -5.660   2.611  -8.021
  327    HA   SER  48           HA       SER  48  -8.044   1.243  -8.069
  328   1HB   SER  48          2HB       SER  48  -7.375   3.461  -9.235
  329   2HB   SER  48          1HB       SER  48  -6.935   2.419 -10.587
  330    HG   SER  48           HG       SER  48  -9.092   1.617 -10.543
  331    H    ARG  49           H        ARG  49  -5.072   0.461  -9.641
  332    HA   ARG  49           HA       ARG  49  -6.304  -1.688 -11.094
  333   1HB   ARG  49          2HB       ARG  49  -3.786  -0.209 -11.311
  334   2HB   ARG  49          1HB       ARG  49  -3.667  -1.922 -11.684
  335   1HG   ARG  49          2HG       ARG  49  -5.102  -1.759 -13.500
  336   2HG   ARG  49          1HG       ARG  49  -5.793  -0.235 -12.941
  337   1HD   ARG  49          2HD       ARG  49  -4.295   0.060 -14.874
  338   2HD   ARG  49          1HD       ARG  49  -3.733   0.926 -13.445
  339    HE   ARG  49           HE       ARG  49  -2.413  -1.432 -13.300
  340   1HH1  ARG  49          1HH1      ARG  49  -2.763   0.966 -15.812
  341   2HH1  ARG  49          2HH1      ARG  49  -1.210   0.645 -16.508
  342   1HH2  ARG  49          1HH2      ARG  49  -0.369  -1.856 -14.216
  343   2HH2  ARG  49          2HH2      ARG  49   0.148  -0.957 -15.604
  344    H    VAL  50           H        VAL  50  -4.562  -1.152  -8.269
  345    HA   VAL  50           HA       VAL  50  -3.528  -3.800  -7.994
  346    HB   VAL  50           HB       VAL  50  -3.402  -1.309  -6.372
  347   1HG1  VAL  50          1HG1      VAL  50  -2.063  -3.695  -5.279
  348   2HG1  VAL  50          2HG1      VAL  50  -3.783  -3.541  -4.956
  349   3HG1  VAL  50          3HG1      VAL  50  -2.670  -2.274  -4.451
  350   1HG2  VAL  50          1HG2      VAL  50  -1.468  -1.181  -7.381
  351   2HG2  VAL  50          2HG2      VAL  50  -1.762  -2.692  -8.217
  352   3HG2  VAL  50          3HG2      VAL  50  -0.946  -2.686  -6.651
  353    H    PHE  51           H        PHE  51  -6.012  -1.835  -6.388
  354    HA   PHE  51           HA       PHE  51  -6.975  -4.272  -5.084
  355   1HB   PHE  51          2HB       PHE  51  -7.551  -1.405  -4.327
  356   2HB   PHE  51          1HB       PHE  51  -7.985  -2.843  -3.409
  357    HD1  PHE  51           1HD      PHE  51  -6.141  -4.272  -2.469
  358    HD2  PHE  51           2HD      PHE  51  -5.461  -0.378  -4.046
  359    HE1  PHE  51           1HE      PHE  51  -4.008  -4.155  -1.255
  360    HE2  PHE  51           2HE      PHE  51  -3.334  -0.247  -2.816
  361    HZ   PHE  51           HZ       PHE  51  -2.597  -2.143  -1.424
  362    H    ALA  52           H        ALA  52  -7.607  -2.593  -7.770
  363    HA   ALA  52           HA       ALA  52  -9.399  -2.265  -9.123
  364   1HB   ALA  52          1HB       ALA  52  -9.394  -4.796  -8.262
  365   2HB   ALA  52          2HB       ALA  52 -10.552  -4.169  -9.441
  366   3HB   ALA  52          3HB       ALA  52 -11.007  -4.303  -7.738
  367    H    MET  53           H        MET  53  -9.280  -0.549  -6.939
  368    HA   MET  53           HA       MET  53 -12.064   0.180  -6.696
  369   1HB   MET  53          2HB       MET  53 -10.370  -0.716  -4.446
  370   2HB   MET  53          1HB       MET  53 -11.303   0.744  -4.161
  371   1HG   MET  53          2HG       MET  53 -12.915  -0.646  -3.525
  372   2HG   MET  53          1HG       MET  53 -13.180  -0.888  -5.250
  373   1HE   MET  53          1HE       MET  53  -9.872  -2.333  -3.478
  374   2HE   MET  53          2HE       MET  53 -10.625  -3.676  -2.616
  375   3HE   MET  53          3HE       MET  53 -11.078  -2.017  -2.228
  376    H    SER  54           H        SER  54 -12.304   2.437  -5.868
  377    HA   SER  54           HA       SER  54 -10.329   4.113  -7.057
  378   1HB   SER  54          2HB       SER  54 -11.781   5.969  -6.213
  379   2HB   SER  54          1HB       SER  54 -12.652   4.783  -7.185
  380    HG   SER  54           HG       SER  54 -13.821   5.251  -5.314
  381    HA   PRO  55           HA       PRO  55  -7.406   4.512  -3.770
  382   1HB   PRO  55          2HB       PRO  55  -7.315   7.364  -4.061
  383   2HB   PRO  55          1HB       PRO  55  -6.146   6.181  -4.652
  384   1HG   PRO  55          2HG       PRO  55  -8.404   7.477  -6.078
  385   2HG   PRO  55          1HG       PRO  55  -6.873   6.861  -6.722
  386   1HD   PRO  55          2HD       PRO  55  -9.161   5.581  -7.153
  387   2HD   PRO  55          1HD       PRO  55  -7.666   4.675  -6.816
  388    H    GLU  56           H        GLU  56 -10.091   6.680  -4.087
  389    HA   GLU  56           HA       GLU  56 -10.225   7.586  -1.447
  390   1HB   GLU  56          2HB       GLU  56 -12.578   8.180  -2.180
  391   2HB   GLU  56          1HB       GLU  56 -11.271   8.937  -3.064
  392   1HG   GLU  56          2HG       GLU  56 -11.966   6.489  -4.331
  393   2HG   GLU  56          1HG       GLU  56 -13.439   7.405  -4.034
  394    H    GLU  57           H        GLU  57 -11.882   5.036  -3.243
  395    HA   GLU  57           HA       GLU  57 -13.776   4.226  -1.529
  396   1HB   GLU  57          2HB       GLU  57 -12.128   2.915  -3.552
  397   2HB   GLU  57          1HB       GLU  57 -12.785   1.831  -2.353
  398   1HG   GLU  57          2HG       GLU  57 -14.537   3.792  -3.764
  399   2HG   GLU  57          1HG       GLU  57 -14.110   2.251  -4.510
  400    H    PHE  58           H        PHE  58 -10.419   3.594  -1.440
  401    HA   PHE  58           HA       PHE  58 -10.339   1.934   0.832
  402   1HB   PHE  58          2HB       PHE  58  -8.485   2.824  -1.026
  403   2HB   PHE  58          1HB       PHE  58  -7.959   3.579   0.472
  404    HD1  PHE  58           1HD      PHE  58  -9.462   0.261  -0.277
  405    HD2  PHE  58           2HD      PHE  58  -6.170   2.409   1.321
  406    HE1  PHE  58           1HE      PHE  58  -8.427  -1.853   0.418
  407    HE2  PHE  58           2HE      PHE  58  -5.126   0.305   2.019
  408    HZ   PHE  58           HZ       PHE  58  -6.259  -1.820   1.563
  409    H    GLY  59           H        GLY  59  -9.822   5.417   0.330
  410   1HA   GLY  59          2HA       GLY  59  -9.239   6.103   2.980
  411   2HA   GLY  59          1HA       GLY  59  -9.978   7.178   1.802
  412    H    LYS  60           H        LYS  60 -12.221   5.059   1.623
  413    HA   LYS  60           HA       LYS  60 -13.712   6.117   3.838
  414   1HB   LYS  60          2HB       LYS  60 -14.811   6.651   1.844
  415   2HB   LYS  60          1HB       LYS  60 -14.508   5.061   1.164
  416   1HG   LYS  60          2HG       LYS  60 -16.209   5.208   3.588
  417   2HG   LYS  60          1HG       LYS  60 -16.888   5.800   2.072
  418   1HD   LYS  60          2HD       LYS  60 -15.765   3.049   2.598
  419   2HD   LYS  60          1HD       LYS  60 -17.461   3.470   2.359
  420   1HE   LYS  60          2HE       LYS  60 -16.664   4.400   0.083
  421   2HE   LYS  60          1HE       LYS  60 -15.225   3.420   0.365
  422   1HZ   LYS  60          1HZ       LYS  60 -16.369   1.498   0.094
  423   2HZ   LYS  60          2HZ       LYS  60 -17.340   2.483  -0.879
  424   3HZ   LYS  60          3HZ       LYS  60 -17.820   2.122   0.702
  425    H    LEU  61           H        LEU  61 -12.633   3.152   2.477
  426    HA   LEU  61           HA       LEU  61 -14.292   1.304   3.687
  427   1HB   LEU  61          2HB       LEU  61 -11.380   1.180   2.973
  428   2HB   LEU  61          1HB       LEU  61 -12.217  -0.194   3.651
  429    HG   LEU  61           HG       LEU  61 -13.194   1.147   1.149
  430   1HD1  LEU  61          1HD1      LEU  61 -11.630  -1.330   0.902
  431   2HD1  LEU  61          2HD1      LEU  61 -10.708   0.120   1.281
  432   3HD1  LEU  61          3HD1      LEU  61 -11.717   0.070  -0.166
  433   1HD2  LEU  61          1HD2      LEU  61 -13.592  -1.561   2.397
  434   2HD2  LEU  61          2HD2      LEU  61 -14.118  -1.143   0.767
  435   3HD2  LEU  61          3HD2      LEU  61 -14.799  -0.298   2.158
  436    H    ALA  62           H        ALA  62 -13.041  -0.370   5.323
  437    HA   ALA  62           HA       ALA  62 -12.714   1.188   7.783
  438   1HB   ALA  62          1HB       ALA  62 -13.032  -1.805   7.581
  439   2HB   ALA  62          2HB       ALA  62 -14.409  -0.696   7.590
  440   3HB   ALA  62          3HB       ALA  62 -13.321  -0.756   8.975
  441    H    LEU  63           H        LEU  63 -11.303  -0.564   9.333
  442    HA   LEU  63           HA       LEU  63  -8.655  -0.336   8.163
  443   1HB   LEU  63          2HB       LEU  63  -9.670  -0.021  10.753
  444   2HB   LEU  63          1HB       LEU  63  -8.693  -1.476  10.815
  445    HG   LEU  63           HG       LEU  63  -7.385   0.473  11.455
  446   1HD1  LEU  63          1HD1      LEU  63  -6.608  -1.485   9.760
  447   2HD1  LEU  63          2HD1      LEU  63  -5.527  -0.259  10.423
  448   3HD1  LEU  63          3HD1      LEU  63  -6.213  -0.051   8.811
  449   1HD2  LEU  63          1HD2      LEU  63  -8.751   2.056  10.021
  450   2HD2  LEU  63          2HD2      LEU  63  -7.752   1.529   8.665
  451   3HD2  LEU  63          3HD2      LEU  63  -7.007   2.327  10.051
  452    H    TRP  64           H        TRP  64 -10.991  -2.676   8.924
  453    HA   TRP  64           HA       TRP  64  -9.237  -4.903   8.852
  454   1HB   TRP  64          2HB       TRP  64 -11.396  -6.216   8.948
  455   2HB   TRP  64          1HB       TRP  64 -11.118  -5.117  10.296
  456    HD1  TRP  64           HD       TRP  64 -12.639  -2.839  10.337
  457    HE1  TRP  64           1HE      TRP  64 -14.967  -2.380   9.323
  458    HE3  TRP  64           3HE      TRP  64 -12.898  -6.707   7.042
  459    HZ2  TRP  64           2HZ      TRP  64 -16.684  -3.504   7.425
  460    HZ3  TRP  64           3HZ      TRP  64 -14.922  -6.961   5.658
  461    HH2  TRP  64           HH       TRP  64 -16.774  -5.376   5.855
  462    H    LYS  65           H        LYS  65 -11.948  -3.824   6.796
  463    HA   LYS  65           HA       LYS  65 -11.523  -5.684   4.772
  464   1HB   LYS  65          2HB       LYS  65 -12.667  -3.869   3.301
  465   2HB   LYS  65          1HB       LYS  65 -13.580  -4.610   4.602
  466   1HG   LYS  65          2HG       LYS  65 -12.425  -2.413   5.793
  467   2HG   LYS  65          1HG       LYS  65 -12.833  -1.858   4.172
  468   1HD   LYS  65          2HD       LYS  65 -15.021  -3.389   5.099
  469   2HD   LYS  65          1HD       LYS  65 -14.566  -2.295   6.401
  470   1HE   LYS  65          2HE       LYS  65 -15.750  -0.736   5.341
  471   2HE   LYS  65          1HE       LYS  65 -14.464  -0.708   4.137
  472   1HZ   LYS  65          1HZ       LYS  65 -16.478  -1.032   2.982
  473   2HZ   LYS  65          2HZ       LYS  65 -16.996  -2.242   4.044
  474   3HZ   LYS  65          3HZ       LYS  65 -15.706  -2.538   2.990
  475    H    ARG  66           H        ARG  66 -10.152  -2.505   5.340
  476    HA   ARG  66           HA       ARG  66  -8.716  -2.267   2.935
  477   1HB   ARG  66          2HB       ARG  66  -8.731  -1.007   5.603
  478   2HB   ARG  66          1HB       ARG  66  -7.212  -0.914   4.742
  479   1HG   ARG  66          2HG       ARG  66  -8.741  -0.094   2.770
  480   2HG   ARG  66          1HG       ARG  66  -9.845   0.306   4.085
  481   1HD   ARG  66          2HD       ARG  66  -8.194   2.107   3.274
  482   2HD   ARG  66          1HD       ARG  66  -8.380   1.856   5.010
  483    HE   ARG  66           HE       ARG  66  -6.272   0.277   3.930
  484   1HH1  ARG  66          1HH1      ARG  66  -7.086   3.505   4.976
  485   2HH1  ARG  66          2HH1      ARG  66  -5.454   3.920   5.381
  486   1HH2  ARG  66          1HH2      ARG  66  -4.127   0.819   4.466
  487   2HH2  ARG  66          2HH2      ARG  66  -3.774   2.395   5.091
  488    H    ASN  67           H        ASN  67  -7.999  -3.706   6.093
  489    HA   ASN  67           HA       ASN  67  -5.310  -4.296   5.631
  490   1HB   ASN  67          2HB       ASN  67  -7.402  -5.020   7.563
  491   2HB   ASN  67          1HB       ASN  67  -6.151  -6.235   7.358
  492   1HD2  ASN  67          1HD2      ASN  67  -6.705  -4.641   9.681
  493   2HD2  ASN  67          2HD2      ASN  67  -5.283  -3.716  10.009
  494    H    GLU  68           H        GLU  68  -8.285  -6.158   5.081
  495    HA   GLU  68           HA       GLU  68  -7.010  -8.490   4.210
  496   1HB   GLU  68          2HB       GLU  68  -9.770  -7.574   3.441
  497   2HB   GLU  68          1HB       GLU  68  -9.172  -9.227   3.462
  498   1HG   GLU  68          2HG       GLU  68  -8.994  -7.802   6.022
  499   2HG   GLU  68          1HG       GLU  68 -10.628  -8.102   5.433
  500    H    LEU  69           H        LEU  69  -7.637  -5.518   2.702
  501    HA   LEU  69           HA       LEU  69  -7.331  -6.553   0.005
  502   1HB   LEU  69          2HB       LEU  69  -7.800  -3.787   1.106
  503   2HB   LEU  69          1HB       LEU  69  -7.544  -4.106  -0.604
  504    HG   LEU  69           HG       LEU  69  -9.797  -5.205   1.071
  505   1HD1  LEU  69          1HD1      LEU  69  -9.572  -2.906  -0.825
  506   2HD1  LEU  69          2HD1      LEU  69 -10.368  -2.989   0.746
  507   3HD1  LEU  69          3HD1      LEU  69 -11.101  -3.770  -0.654
  508   1HD2  LEU  69          1HD2      LEU  69  -8.652  -6.187  -1.291
  509   2HD2  LEU  69          2HD2      LEU  69 -10.160  -5.401  -1.765
  510   3HD2  LEU  69          3HD2      LEU  69 -10.174  -6.676  -0.545
  511    H    LYS  70           H        LYS  70  -5.686  -4.160   2.059
  512    HA   LYS  70           HA       LYS  70  -3.549  -3.599   0.433
  513   1HB   LYS  70          2HB       LYS  70  -2.825  -2.412   2.196
  514   2HB   LYS  70          1HB       LYS  70  -4.343  -2.873   2.931
  515   1HG   LYS  70          2HG       LYS  70  -3.024  -4.926   3.796
  516   2HG   LYS  70          1HG       LYS  70  -1.606  -3.941   3.433
  517   1HD   LYS  70          2HD       LYS  70  -3.883  -2.895   5.090
  518   2HD   LYS  70          1HD       LYS  70  -2.554  -3.809   5.805
  519   1HE   LYS  70          2HE       LYS  70  -1.110  -2.098   5.616
  520   2HE   LYS  70          1HE       LYS  70  -1.714  -1.637   4.024
  521   1HZ   LYS  70          1HZ       LYS  70  -2.568  -0.738   6.670
  522   2HZ   LYS  70          2HZ       LYS  70  -3.756  -0.864   5.472
  523   3HZ   LYS  70          3HZ       LYS  70  -2.413   0.136   5.229
  524    H    LYS  71           H        LYS  71  -4.124  -6.415   2.394
  525    HA   LYS  71           HA       LYS  71  -1.495  -7.434   2.227
  526   1HB   LYS  71          2HB       LYS  71  -3.979  -8.236   3.416
  527   2HB   LYS  71          1HB       LYS  71  -3.285  -9.595   2.543
  528   1HG   LYS  71          2HG       LYS  71  -1.262  -9.461   3.818
  529   2HG   LYS  71          1HG       LYS  71  -1.800  -7.972   4.594
  530   1HD   LYS  71          2HD       LYS  71  -3.026 -10.712   4.888
  531   2HD   LYS  71          1HD       LYS  71  -2.115  -9.825   6.111
  532   1HE   LYS  71          2HE       LYS  71  -4.052  -8.027   5.500
  533   2HE   LYS  71          1HE       LYS  71  -4.915  -9.545   5.258
  534   1HZ   LYS  71          1HZ       LYS  71  -3.331  -9.225   7.701
  535   2HZ   LYS  71          2HZ       LYS  71  -4.759 -10.094   7.450
  536   3HZ   LYS  71          3HZ       LYS  71  -4.809  -8.410   7.598
  537    H    LYS  72           H        LYS  72  -4.265  -7.548   0.206
  538    HA   LYS  72           HA       LYS  72  -3.467  -9.679  -1.422
  539   1HB   LYS  72          2HB       LYS  72  -5.596  -7.721  -1.412
  540   2HB   LYS  72          1HB       LYS  72  -4.983  -7.986  -3.039
  541   1HG   LYS  72          2HG       LYS  72  -6.078  -9.900  -3.193
  542   2HG   LYS  72          1HG       LYS  72  -5.319 -10.502  -1.719
  543   1HD   LYS  72          2HD       LYS  72  -7.319  -8.566  -1.038
  544   2HD   LYS  72          1HD       LYS  72  -8.017  -9.776  -2.117
  545   1HE   LYS  72          2HE       LYS  72  -7.051 -11.537  -0.621
  546   2HE   LYS  72          1HE       LYS  72  -6.602 -10.253   0.500
  547   1HZ   LYS  72          1HZ       LYS  72  -9.374 -10.269  -0.371
  548   2HZ   LYS  72          2HZ       LYS  72  -8.720  -9.969   1.161
  549   3HZ   LYS  72          3HZ       LYS  72  -8.908 -11.561   0.619
  550    H    ALA  73           H        ALA  73  -2.704  -6.350  -1.260
  551    HA   ALA  73           HA       ALA  73  -1.212  -6.428  -3.739
  552   1HB   ALA  73          1HB       ALA  73  -2.738  -4.535  -3.268
  553   2HB   ALA  73          2HB       ALA  73  -1.073  -4.043  -3.576
  554   3HB   ALA  73          3HB       ALA  73  -1.692  -4.082  -1.925
  555    H    SER  74           H        SER  74  -0.717  -6.996  -0.461
  556    HA   SER  74           HA       SER  74   1.186  -7.503   0.688
  557   1HB   SER  74          2HB       SER  74   2.045  -7.833  -1.864
  558   2HB   SER  74          1HB       SER  74   3.098  -6.519  -1.341
  559    HG   SER  74           HG       SER  74   3.880  -7.796   0.284
  560    H    LEU  75           H        LEU  75  -0.096  -4.782   0.356
  561    HA   LEU  75           HA       LEU  75   2.126  -3.032   1.078
  562   1HB   LEU  75          2HB       LEU  75  -0.791  -2.337   0.745
  563   2HB   LEU  75          1HB       LEU  75   0.550  -1.214   0.851
  564    HG   LEU  75           HG       LEU  75  -0.171  -3.034  -1.429
  565   1HD1  LEU  75          1HD1      LEU  75  -0.415  -1.071  -2.680
  566   2HD1  LEU  75          2HD1      LEU  75   0.440  -0.098  -1.483
  567   3HD1  LEU  75          3HD1      LEU  75  -1.174  -0.712  -1.129
  568   1HD2  LEU  75          1HD2      LEU  75   2.090  -3.371  -1.480
  569   2HD2  LEU  75          2HD2      LEU  75   2.455  -1.813  -0.740
  570   3HD2  LEU  75          3HD2      LEU  75   1.962  -1.893  -2.432
  571    H    PHE  76           H        PHE  76   0.781  -5.238   2.758
  572    HA   PHE  76           HA       PHE  76  -0.319  -3.790   4.972
  573   1HB   PHE  76          2HB       PHE  76  -0.998  -6.143   4.156
  574   2HB   PHE  76          1HB       PHE  76   0.437  -6.697   5.014
  575    HD1  PHE  76           1HD      PHE  76   0.571  -5.537   7.497
  576    HD2  PHE  76           2HD      PHE  76  -2.957  -6.416   5.285
  577    HE1  PHE  76           1HE      PHE  76  -0.719  -5.617   9.590
  578    HE2  PHE  76           2HE      PHE  76  -4.250  -6.500   7.372
  579    HZ   PHE  76           HZ       PHE  76  -3.136  -6.097   9.528
  Start of MODEL    5
    1    HA   PRO   9           HA       PRO   9  -0.180  15.738   2.738
    2   1HB   PRO   9          2HB       PRO   9   0.926  15.093   5.266
    3   2HB   PRO   9          1HB       PRO   9   1.035  16.633   4.403
    4   1HG   PRO   9          2HG       PRO   9  -0.854  15.789   6.534
    5   2HG   PRO   9          1HG       PRO   9  -0.200  17.398   6.179
    6   1HD   PRO   9          2HD       PRO   9  -2.728  16.795   5.577
    7   2HD   PRO   9          1HD       PRO   9  -1.750  17.788   4.478
    8    H    GLY  10           H        GLY  10   1.354  13.947   2.638
    9   1HA   GLY  10          2HA       GLY  10   0.869  11.455   3.894
   10   2HA   GLY  10          1HA       GLY  10   0.140  11.465   2.295
   11    H    LEU  11           H        LEU  11   2.007   9.616   2.679
   12    HA   LEU  11           HA       LEU  11   4.649  10.462   2.139
   13   1HB   LEU  11          2HB       LEU  11   3.719   7.729   1.400
   14   2HB   LEU  11          1HB       LEU  11   5.235   8.231   2.125
   15    HG   LEU  11           HG       LEU  11   3.229   8.844   4.013
   16   1HD1  LEU  11          1HD1      LEU  11   2.178   6.921   2.373
   17   2HD1  LEU  11          2HD1      LEU  11   1.714   7.208   4.050
   18   3HD1  LEU  11          3HD1      LEU  11   2.907   5.968   3.664
   19   1HD2  LEU  11          1HD2      LEU  11   5.717   7.756   3.990
   20   2HD2  LEU  11          2HD2      LEU  11   4.730   6.356   4.406
   21   3HD2  LEU  11          3HD2      LEU  11   4.658   7.812   5.398
   22    H    GLN  12           H        GLN  12   5.821  10.432   0.218
   23    HA   GLN  12           HA       GLN  12   4.497  11.264  -2.077
   24   1HB   GLN  12          2HB       GLN  12   7.162  11.012  -1.239
   25   2HB   GLN  12          1HB       GLN  12   7.050  10.094  -2.732
   26   1HG   GLN  12          2HG       GLN  12   6.412  12.997  -2.307
   27   2HG   GLN  12          1HG       GLN  12   7.695  12.302  -3.295
   28   1HE2  GLN  12          1HE2      GLN  12   6.177  10.272  -4.527
   29   2HE2  GLN  12          2HE2      GLN  12   5.052  11.016  -5.607
   30    H    ILE  13           H        ILE  13   3.770  10.306  -3.876
   31    HA   ILE  13           HA       ILE  13   3.094   7.560  -3.842
   32    HB   ILE  13           HB       ILE  13   3.047   9.514  -6.137
   33   1HG1  ILE  13          2HG1      ILE  13   1.818  10.134  -3.979
   34   2HG1  ILE  13          1HG1      ILE  13   0.887  10.155  -5.469
   35   1HG2  ILE  13          1HG2      ILE  13   2.105   6.730  -5.845
   36   2HG2  ILE  13          2HG2      ILE  13   2.595   7.630  -7.281
   37   3HG2  ILE  13          3HG2      ILE  13   0.987   7.863  -6.603
   38   1HD1  ILE  13          1HD1      ILE  13   0.785   7.578  -4.183
   39   2HD1  ILE  13          2HD1      ILE  13  -0.530   8.636  -4.693
   40   3HD1  ILE  13          3HD1      ILE  13   0.228   8.868  -3.117
   41    H    TYR  14           H        TYR  14   3.986   5.829  -4.794
   42    HA   TYR  14           HA       TYR  14   6.324   6.213  -6.542
   43   1HB   TYR  14          2HB       TYR  14   6.047   3.942  -4.574
   44   2HB   TYR  14          1HB       TYR  14   7.458   4.362  -5.530
   45    HD1  TYR  14           1HD      TYR  14   7.396   7.359  -5.007
   46    HD2  TYR  14           2HD      TYR  14   7.007   4.011  -2.422
   47    HE1  TYR  14           1HE      TYR  14   8.280   8.698  -3.143
   48    HE2  TYR  14           2HE      TYR  14   7.872   5.329  -0.553
   49    HH   TYR  14           HH       TYR  14   9.562   7.679  -0.587
   50    HA   PRO  15           HA       PRO  15   4.235   3.399  -9.210
   51   1HB   PRO  15          2HB       PRO  15   6.216   2.137 -10.506
   52   2HB   PRO  15          1HB       PRO  15   5.927   3.869 -10.708
   53   1HG   PRO  15          2HG       PRO  15   7.974   2.474  -9.036
   54   2HG   PRO  15          1HG       PRO  15   8.149   3.924 -10.040
   55   1HD   PRO  15          2HD       PRO  15   7.800   3.963  -7.314
   56   2HD   PRO  15          1HD       PRO  15   7.361   5.300  -8.392
   57    H    TYR  16           H        TYR  16   4.141   2.344  -6.672
   58    HA   TYR  16           HA       TYR  16   3.826   0.398  -5.515
   59   1HB   TYR  16          2HB       TYR  16   2.329   0.046  -7.465
   60   2HB   TYR  16          1HB       TYR  16   3.634  -0.795  -8.279
   61    HD1  TYR  16           1HD      TYR  16   3.352  -3.067  -8.357
   62    HD2  TYR  16           2HD      TYR  16   2.027  -0.994  -4.886
   63    HE1  TYR  16           1HE      TYR  16   2.552  -5.185  -7.402
   64    HE2  TYR  16           2HE      TYR  16   1.228  -3.108  -3.918
   65    HH   TYR  16           HH       TYR  16   2.005  -6.164  -5.295
   66    H    GLU  17           H        GLU  17   5.513  -0.895  -8.288
   67    HA   GLU  17           HA       GLU  17   6.957  -2.871  -7.118
   68   1HB   GLU  17          2HB       GLU  17   8.514  -2.734  -8.990
   69   2HB   GLU  17          1HB       GLU  17   6.858  -2.517  -9.540
   70   1HG   GLU  17          2HG       GLU  17   7.588   0.050  -9.115
   71   2HG   GLU  17          1HG       GLU  17   9.129  -0.661  -9.591
   72    H    MET  18           H        MET  18   7.593   0.534  -6.979
   73    HA   MET  18           HA       MET  18  10.285   0.457  -6.198
   74   1HB   MET  18          2HB       MET  18   8.098   2.431  -6.111
   75   2HB   MET  18          1HB       MET  18   9.362   2.668  -4.911
   76   1HG   MET  18          2HG       MET  18   9.764   2.473  -7.888
   77   2HG   MET  18          1HG       MET  18   9.793   3.952  -6.930
   78   1HE   MET  18          1HE       MET  18  12.941   2.538  -8.679
   79   2HE   MET  18          2HE       MET  18  13.196   4.084  -7.870
   80   3HE   MET  18          3HE       MET  18  11.680   3.771  -8.716
   81    H    LEU  19           H        LEU  19   7.334  -0.113  -4.513
   82    HA   LEU  19           HA       LEU  19   8.717  -0.328  -1.934
   83   1HB   LEU  19          2HB       LEU  19   5.765  -0.272  -2.527
   84   2HB   LEU  19          1HB       LEU  19   6.518  -0.157  -0.944
   85    HG   LEU  19           HG       LEU  19   7.572   1.926  -2.576
   86   1HD1  LEU  19          1HD1      LEU  19   4.562   1.771  -2.593
   87   2HD1  LEU  19          2HD1      LEU  19   5.628   1.721  -3.992
   88   3HD1  LEU  19          3HD1      LEU  19   5.509   3.187  -3.027
   89   1HD2  LEU  19          1HD2      LEU  19   6.939   1.562  -0.001
   90   2HD2  LEU  19          2HD2      LEU  19   5.560   2.539  -0.510
   91   3HD2  LEU  19          3HD2      LEU  19   7.202   3.149  -0.719
   92    H    VAL  20           H        VAL  20   6.983  -2.072  -4.378
   93    HA   VAL  20           HA       VAL  20   6.328  -4.384  -2.876
   94    HB   VAL  20           HB       VAL  20   6.774  -4.324  -5.846
   95   1HG1  VAL  20          1HG1      VAL  20   6.261  -6.476  -5.417
   96   2HG1  VAL  20          2HG1      VAL  20   4.615  -5.850  -5.451
   97   3HG1  VAL  20          3HG1      VAL  20   5.434  -6.103  -3.909
   98   1HG2  VAL  20          1HG2      VAL  20   5.095  -2.585  -4.474
   99   2HG2  VAL  20          2HG2      VAL  20   4.042  -3.883  -5.016
  100   3HG2  VAL  20          3HG2      VAL  20   5.016  -2.998  -6.186
  101    H    VAL  21           H        VAL  21   7.631  -5.873  -2.103
  102    HA   VAL  21           HA       VAL  21  10.347  -6.084  -3.031
  103    HB   VAL  21           HB       VAL  21   8.984  -7.630  -0.830
  104   1HG1  VAL  21          1HG1      VAL  21  11.810  -7.387  -1.761
  105   2HG1  VAL  21          2HG1      VAL  21  10.898  -8.828  -1.312
  106   3HG1  VAL  21          3HG1      VAL  21  11.465  -7.718  -0.064
  107   1HG2  VAL  21          1HG2      VAL  21   9.336  -4.946  -0.826
  108   2HG2  VAL  21          2HG2      VAL  21  10.869  -5.482  -0.139
  109   3HG2  VAL  21          3HG2      VAL  21   9.350  -5.950   0.624
  110    H    THR  22           H        THR  22  10.898  -7.449  -4.616
  111    HA   THR  22           HA       THR  22   9.458  -9.962  -4.860
  112    HB   THR  22           HB       THR  22  10.421  -9.088  -7.399
  113    HG1  THR  22           1HG      THR  22   8.642  -7.330  -6.077
  114   1HG2  THR  22          1HG2      THR  22   7.577  -9.030  -7.216
  115   2HG2  THR  22          2HG2      THR  22   8.204 -10.449  -6.377
  116   3HG2  THR  22          3HG2      THR  22   8.618 -10.168  -8.068
  117    H    ASN  23           H        ASN  23  12.085  -9.224  -3.647
  118    HA   ASN  23           HA       ASN  23  13.549 -11.452  -4.451
  119   1HB   ASN  23          2HB       ASN  23  13.826  -9.833  -6.464
  120   2HB   ASN  23          1HB       ASN  23  14.932  -8.965  -5.404
  121   1HD2  ASN  23          1HD2      ASN  23  14.289 -12.395  -6.058
  122   2HD2  ASN  23          2HD2      ASN  23  15.931 -12.812  -6.398
  123    H    LYS  24           H        LYS  24  12.757 -10.087  -2.055
  124    HA   LYS  24           HA       LYS  24  14.977 -10.459  -0.459
  125   1HB   LYS  24          2HB       LYS  24  15.601  -8.153   0.162
  126   2HB   LYS  24          1HB       LYS  24  15.959  -8.500  -1.520
  127   1HG   LYS  24          2HG       LYS  24  13.432  -7.114  -0.691
  128   2HG   LYS  24          1HG       LYS  24  14.937  -6.241  -0.975
  129   1HD   LYS  24          2HD       LYS  24  14.991  -7.394  -3.246
  130   2HD   LYS  24          1HD       LYS  24  13.315  -7.845  -2.932
  131   1HE   LYS  24          2HE       LYS  24  12.627  -5.579  -2.837
  132   2HE   LYS  24          1HE       LYS  24  14.295  -5.006  -2.790
  133   1HZ   LYS  24          1HZ       LYS  24  12.942  -6.313  -5.088
  134   2HZ   LYS  24          2HZ       LYS  24  14.578  -5.889  -5.053
  135   3HZ   LYS  24          3HZ       LYS  24  13.392  -4.685  -4.975
  136    H    GLY  25           H        GLY  25  14.515  -8.563   1.599
  137   1HA   GLY  25          2HA       GLY  25  11.781  -8.207   2.188
  138   2HA   GLY  25          1HA       GLY  25  12.324  -9.719   2.899
  139    H    ARG  26           H        ARG  26  14.936  -8.957   3.617
  140    HA   ARG  26           HA       ARG  26  14.361  -7.548   6.022
  141   1HB   ARG  26          2HB       ARG  26  16.932  -8.667   4.922
  142   2HB   ARG  26          1HB       ARG  26  16.789  -7.922   6.508
  143   1HG   ARG  26          2HG       ARG  26  16.359  -9.970   7.262
  144   2HG   ARG  26          1HG       ARG  26  14.768  -9.785   6.522
  145   1HD   ARG  26          2HD       ARG  26  16.374 -10.563   4.415
  146   2HD   ARG  26          1HD       ARG  26  16.993 -11.505   5.770
  147    HE   ARG  26           HE       ARG  26  14.129 -11.559   5.538
  148   1HH1  ARG  26          1HH1      ARG  26  17.113 -13.030   4.481
  149   2HH1  ARG  26          2HH1      ARG  26  16.370 -14.540   4.076
  150   1HH2  ARG  26          1HH2      ARG  26  13.150 -13.545   5.006
  151   2HH2  ARG  26          2HH2      ARG  26  14.120 -14.832   4.371
  152    H    THR  27           H        THR  27  14.867  -6.385   3.032
  153    HA   THR  27           HA       THR  27  16.802  -4.381   3.441
  154    HB   THR  27           HB       THR  27  16.493  -4.691   1.209
  155    HG1  THR  27           1HG      THR  27  16.277  -2.504   1.490
  156   1HG2  THR  27          1HG2      THR  27  14.657  -6.132   1.050
  157   2HG2  THR  27          2HG2      THR  27  14.200  -4.705   0.120
  158   3HG2  THR  27          3HG2      THR  27  13.558  -4.941   1.745
  159    H    LYS  28           H        LYS  28  16.401  -2.078   3.356
  160    HA   LYS  28           HA       LYS  28  14.397  -1.344   5.333
  161   1HB   LYS  28          2HB       LYS  28  15.529   0.925   5.155
  162   2HB   LYS  28          1HB       LYS  28  16.519  -0.395   5.763
  163   1HG   LYS  28          2HG       LYS  28  16.695  -0.122   2.880
  164   2HG   LYS  28          1HG       LYS  28  17.177   1.346   3.733
  165   1HD   LYS  28          2HD       LYS  28  18.712  -0.003   5.119
  166   2HD   LYS  28          1HD       LYS  28  18.265  -1.432   4.184
  167   1HE   LYS  28          2HE       LYS  28  18.994  -0.057   2.136
  168   2HE   LYS  28          1HE       LYS  28  19.792   0.996   3.304
  169   1HZ   LYS  28          1HZ       LYS  28  21.362  -0.537   3.744
  170   2HZ   LYS  28          2HZ       LYS  28  20.960  -1.117   2.208
  171   3HZ   LYS  28          3HZ       LYS  28  20.308  -1.851   3.585
  172    H    LEU  29           H        LEU  29  12.888   0.367   5.021
  173    HA   LEU  29           HA       LEU  29  11.730   0.361   2.412
  174   1HB   LEU  29          2HB       LEU  29  10.970   1.467   5.075
  175   2HB   LEU  29          1HB       LEU  29  10.155   2.065   3.639
  176    HG   LEU  29           HG       LEU  29  10.160  -0.756   4.701
  177   1HD1  LEU  29          1HD1      LEU  29   8.334   1.527   4.779
  178   2HD1  LEU  29          2HD1      LEU  29   8.417   0.099   5.812
  179   3HD1  LEU  29          3HD1      LEU  29   7.582   0.017   4.261
  180   1HD2  LEU  29          1HD2      LEU  29   8.419  -0.832   2.650
  181   2HD2  LEU  29          2HD2      LEU  29  10.104  -1.336   2.519
  182   3HD2  LEU  29          3HD2      LEU  29   9.622   0.276   1.990
  183    HA   PRO  30           HA       PRO  30  13.265   4.083   0.631
  184   1HB   PRO  30          2HB       PRO  30  10.459   4.974   0.233
  185   2HB   PRO  30          1HB       PRO  30  11.752   4.765  -0.952
  186   1HG   PRO  30          2HG       PRO  30   9.744   3.019  -0.798
  187   2HG   PRO  30          1HG       PRO  30  11.401   2.482  -1.130
  188   1HD   PRO  30          2HD       PRO  30   9.829   2.330   1.408
  189   2HD   PRO  30          1HD       PRO  30  10.971   1.160   0.716
  190    HA   PRO  31           HA       PRO  31  13.282   7.364   3.570
  191   1HB   PRO  31          2HB       PRO  31  12.934   9.308   1.358
  192   2HB   PRO  31          1HB       PRO  31  14.230   9.182   2.551
  193   1HG   PRO  31          2HG       PRO  31  14.625   8.456   0.014
  194   2HG   PRO  31          1HG       PRO  31  15.356   7.551   1.353
  195   1HD   PRO  31          2HD       PRO  31  12.968   6.872  -0.316
  196   2HD   PRO  31          1HD       PRO  31  14.247   5.810   0.308
  197    H    GLY  32           H        GLY  32  11.342   7.133   4.655
  198   1HA   GLY  32          2HA       GLY  32   9.430   8.212   5.478
  199   2HA   GLY  32          1HA       GLY  32   9.321   9.117   3.976
  200    H    VAL  33           H        VAL  33   9.017   5.780   5.178
  201    HA   VAL  33           HA       VAL  33   6.686   5.476   3.494
  202    HB   VAL  33           HB       VAL  33   8.836   3.463   3.876
  203   1HG1  VAL  33          1HG1      VAL  33   6.128   3.170   2.614
  204   2HG1  VAL  33          2HG1      VAL  33   6.791   2.246   3.958
  205   3HG1  VAL  33          3HG1      VAL  33   7.451   2.040   2.336
  206   1HG2  VAL  33          1HG2      VAL  33   8.306   5.439   1.913
  207   2HG2  VAL  33          2HG2      VAL  33   8.213   3.842   1.172
  208   3HG2  VAL  33          3HG2      VAL  33   9.676   4.339   2.025
  209    H    ASP  34           H        ASP  34   5.103   4.069   4.146
  210    HA   ASP  34           HA       ASP  34   5.091   3.596   7.037
  211   1HB   ASP  34          2HB       ASP  34   3.404   5.087   5.489
  212   2HB   ASP  34          1HB       ASP  34   2.536   3.553   5.582
  213    H    ARG  35           H        ARG  35   5.848   1.522   7.160
  214    HA   ARG  35           HA       ARG  35   5.451  -0.599   5.467
  215   1HB   ARG  35          2HB       ARG  35   6.700  -0.292   7.843
  216   2HB   ARG  35          1HB       ARG  35   5.320  -1.258   8.349
  217   1HG   ARG  35          2HG       ARG  35   6.095  -3.112   7.362
  218   2HG   ARG  35          1HG       ARG  35   6.676  -2.239   5.943
  219   1HD   ARG  35          2HD       ARG  35   8.454  -3.329   7.356
  220   2HD   ARG  35          1HD       ARG  35   8.679  -1.610   7.036
  221    HE   ARG  35           HE       ARG  35   7.318  -1.786   9.435
  222   1HH1  ARG  35          1HH1      ARG  35  10.401  -2.819   8.165
  223   2HH1  ARG  35          2HH1      ARG  35  11.202  -2.732   9.698
  224   1HH2  ARG  35          1HH2      ARG  35   8.372  -1.669  11.452
  225   2HH2  ARG  35          2HH2      ARG  35  10.050  -2.079  11.563
  226    H    MET  36           H        MET  36   3.357   0.429   8.137
  227    HA   MET  36           HA       MET  36   1.414  -1.599   7.504
  228   1HB   MET  36          2HB       MET  36   1.702   0.435   9.675
  229   2HB   MET  36          1HB       MET  36   0.152  -0.352   9.409
  230   1HG   MET  36          2HG       MET  36   0.881  -2.362  10.166
  231   2HG   MET  36          1HG       MET  36   2.538  -2.089   9.629
  232   1HE   MET  36          1HE       MET  36   4.057  -0.173  10.790
  233   2HE   MET  36          2HE       MET  36   4.401  -1.810  11.349
  234   3HE   MET  36          3HE       MET  36   4.311  -0.482  12.508
  235    H    ARG  37           H        ARG  37   2.114   1.091   5.963
  236    HA   ARG  37           HA       ARG  37  -0.615   1.498   5.077
  237   1HB   ARG  37          2HB       ARG  37   0.482   3.245   6.968
  238   2HB   ARG  37          1HB       ARG  37   0.625   4.095   5.437
  239   1HG   ARG  37          2HG       ARG  37  -1.449   4.782   6.021
  240   2HG   ARG  37          1HG       ARG  37  -1.893   3.288   5.195
  241   1HD   ARG  37          2HD       ARG  37  -3.063   3.015   7.137
  242   2HD   ARG  37          1HD       ARG  37  -1.536   2.265   7.603
  243    HE   ARG  37           HE       ARG  37  -1.179   3.978   9.084
  244   1HH1  ARG  37          1HH1      ARG  37  -3.764   4.868   6.915
  245   2HH1  ARG  37          2HH1      ARG  37  -4.205   6.278   7.819
  246   1HH2  ARG  37          1HH2      ARG  37  -1.758   5.831  10.274
  247   2HH2  ARG  37          2HH2      ARG  37  -3.068   6.824   9.726
  248    H    LEU  38           H        LEU  38   1.298   0.246   3.692
  249    HA   LEU  38           HA       LEU  38   2.934   1.860   2.081
  250   1HB   LEU  38          2HB       LEU  38   2.138  -0.926   2.276
  251   2HB   LEU  38          1HB       LEU  38   2.335  -0.426   0.617
  252    HG   LEU  38           HG       LEU  38   4.426  -1.274   1.136
  253   1HD1  LEU  38          1HD1      LEU  38   4.587   1.649   1.818
  254   2HD1  LEU  38          2HD1      LEU  38   4.712   0.932   0.213
  255   3HD1  LEU  38          3HD1      LEU  38   5.964   0.627   1.416
  256   1HD2  LEU  38          1HD2      LEU  38   3.786  -0.320   3.858
  257   2HD2  LEU  38          2HD2      LEU  38   5.491  -0.352   3.408
  258   3HD2  LEU  38          3HD2      LEU  38   4.529  -1.829   3.325
  259    H    GLU  39           H        GLU  39  -0.347   0.895   1.889
  260    HA   GLU  39           HA       GLU  39  -0.984   1.255  -0.777
  261   1HB   GLU  39          2HB       GLU  39  -3.257   2.114   0.248
  262   2HB   GLU  39          1HB       GLU  39  -2.772   0.431   0.396
  263   1HG   GLU  39          2HG       GLU  39  -1.874   2.203   2.564
  264   2HG   GLU  39          1HG       GLU  39  -3.616   1.952   2.448
  265    H    ARG  40           H        ARG  40  -0.316   3.639   1.668
  266    HA   ARG  40           HA       ARG  40  -1.418   5.849   0.313
  267   1HB   ARG  40          2HB       ARG  40   0.439   5.498   2.610
  268   2HB   ARG  40          1HB       ARG  40   0.340   7.082   1.852
  269   1HG   ARG  40          2HG       ARG  40  -2.149   5.663   2.696
  270   2HG   ARG  40          1HG       ARG  40  -1.173   6.542   3.875
  271   1HD   ARG  40          2HD       ARG  40  -1.994   8.490   3.186
  272   2HD   ARG  40          1HD       ARG  40  -1.555   8.138   1.516
  273    HE   ARG  40           HE       ARG  40  -3.952   6.817   2.416
  274   1HH1  ARG  40          1HH1      ARG  40  -2.626   9.701   0.962
  275   2HH1  ARG  40          2HH1      ARG  40  -4.115  10.151   0.202
  276   1HH2  ARG  40          1HH2      ARG  40  -5.911   7.410   1.417
  277   2HH2  ARG  40          2HH2      ARG  40  -5.979   8.852   0.459
  278    H    HIS  41           H        HIS  41   1.250   3.985  -0.399
  279    HA   HIS  41           HA       HIS  41   2.718   6.161  -1.680
  280   1HB   HIS  41          2HB       HIS  41   3.386   3.266  -1.183
  281   2HB   HIS  41          1HB       HIS  41   4.372   4.309  -2.202
  282    HD1  HIS  41           1HD      HIS  41   5.496   6.388  -0.984
  283    HD2  HIS  41           2HD      HIS  41   3.815   3.529   1.504
  284    HE1  HIS  41           1HE      HIS  41   6.455   6.830   1.298
  285    HE2  HIS  41           2HE      HIS  41   5.185   5.274   2.810
  286    H    LEU  42           H        LEU  42   0.678   3.443  -2.418
  287    HA   LEU  42           HA       LEU  42   1.298   3.074  -5.109
  288   1HB   LEU  42          2HB       LEU  42  -0.883   2.436  -3.263
  289   2HB   LEU  42          1HB       LEU  42  -1.380   2.583  -4.928
  290    HG   LEU  42           HG       LEU  42   0.393   0.551  -3.660
  291   1HD1  LEU  42          1HD1      LEU  42  -2.038   0.687  -5.363
  292   2HD1  LEU  42          2HD1      LEU  42  -1.730  -0.272  -3.910
  293   3HD1  LEU  42          3HD1      LEU  42  -1.019  -0.752  -5.450
  294   1HD2  LEU  42          1HD2      LEU  42   0.722   1.718  -6.361
  295   2HD2  LEU  42          2HD2      LEU  42   0.736  -0.040  -6.255
  296   3HD2  LEU  42          3HD2      LEU  42   1.898   0.908  -5.326
  297    H    SER  43           H        SER  43   0.849   4.212  -6.883
  298    HA   SER  43           HA       SER  43  -0.337   6.782  -6.681
  299   1HB   SER  43          2HB       SER  43   1.155   5.384  -8.620
  300   2HB   SER  43          1HB       SER  43  -0.373   5.855  -9.365
  301    HG   SER  43           HG       SER  43   0.313   7.825  -9.421
  302    H    ALA  44           H        ALA  44  -2.234   7.425  -7.926
  303    HA   ALA  44           HA       ALA  44  -4.480   5.937  -7.195
  304   1HB   ALA  44          1HB       ALA  44  -4.350   7.968  -9.415
  305   2HB   ALA  44          2HB       ALA  44  -4.470   8.379  -7.703
  306   3HB   ALA  44          3HB       ALA  44  -5.778   7.496  -8.493
  307    H    GLU  45           H        GLU  45  -2.567   5.935 -10.093
  308    HA   GLU  45           HA       GLU  45  -4.350   4.397 -11.639
  309   1HB   GLU  45          2HB       GLU  45  -1.384   4.796 -12.018
  310   2HB   GLU  45          1HB       GLU  45  -2.520   4.221 -13.231
  311   1HG   GLU  45          2HG       GLU  45  -3.697   6.525 -12.705
  312   2HG   GLU  45          1HG       GLU  45  -2.067   6.964 -12.197
  313    H    ASP  46           H        ASP  46  -2.052   3.728  -9.178
  314    HA   ASP  46           HA       ASP  46  -1.814   0.985  -9.983
  315   1HB   ASP  46          2HB       ASP  46  -0.482   2.556  -7.798
  316   2HB   ASP  46          1HB       ASP  46  -0.337   0.801  -7.913
  317    H    PHE  47           H        PHE  47  -3.078   2.855  -7.216
  318    HA   PHE  47           HA       PHE  47  -3.916   0.627  -5.753
  319   1HB   PHE  47          2HB       PHE  47  -3.913   2.858  -4.760
  320   2HB   PHE  47          1HB       PHE  47  -5.182   3.364  -5.877
  321    HD1  PHE  47           1HD      PHE  47  -4.441   1.790  -2.750
  322    HD2  PHE  47           2HD      PHE  47  -7.413   2.218  -5.760
  323    HE1  PHE  47           1HE      PHE  47  -6.139   0.962  -1.185
  324    HE2  PHE  47           2HE      PHE  47  -9.125   1.404  -4.197
  325    HZ   PHE  47           HZ       PHE  47  -8.493   0.772  -1.913
  326    H    SER  48           H        SER  48  -5.662   2.623  -7.991
  327    HA   SER  48           HA       SER  48  -8.070   1.303  -8.054
  328   1HB   SER  48          2HB       SER  48  -8.421   2.301 -10.276
  329   2HB   SER  48          1HB       SER  48  -7.732   3.465  -9.143
  330    HG   SER  48           HG       SER  48  -6.288   3.711 -10.652
  331    H    ARG  49           H        ARG  49  -5.114   0.494  -9.651
  332    HA   ARG  49           HA       ARG  49  -6.371  -1.662 -11.071
  333   1HB   ARG  49          2HB       ARG  49  -3.608  -0.512 -11.179
  334   2HB   ARG  49          1HB       ARG  49  -4.040  -1.991 -12.027
  335   1HG   ARG  49          2HG       ARG  49  -5.852  -0.670 -13.173
  336   2HG   ARG  49          1HG       ARG  49  -5.116   0.777 -12.482
  337   1HD   ARG  49          2HD       ARG  49  -3.421  -1.153 -14.003
  338   2HD   ARG  49          1HD       ARG  49  -4.459  -0.033 -14.882
  339    HE   ARG  49           HE       ARG  49  -2.812   1.217 -12.880
  340   1HH1  ARG  49          1HH1      ARG  49  -2.991   0.163 -16.202
  341   2HH1  ARG  49          2HH1      ARG  49  -1.772   1.264 -16.748
  342   1HH2  ARG  49          1HH2      ARG  49  -1.210   2.667 -13.596
  343   2HH2  ARG  49          2HH2      ARG  49  -0.760   2.686 -15.269
  344    H    VAL  50           H        VAL  50  -4.600  -1.118  -8.265
  345    HA   VAL  50           HA       VAL  50  -3.532  -3.749  -8.006
  346    HB   VAL  50           HB       VAL  50  -3.435  -1.260  -6.383
  347   1HG1  VAL  50          1HG1      VAL  50  -2.113  -3.679  -5.311
  348   2HG1  VAL  50          2HG1      VAL  50  -3.810  -3.430  -4.924
  349   3HG1  VAL  50          3HG1      VAL  50  -2.611  -2.218  -4.478
  350   1HG2  VAL  50          1HG2      VAL  50  -1.490  -1.119  -7.367
  351   2HG2  VAL  50          2HG2      VAL  50  -1.801  -2.603  -8.244
  352   3HG2  VAL  50          3HG2      VAL  50  -0.974  -2.648  -6.685
  353    H    PHE  51           H        PHE  51  -6.070  -1.852  -6.385
  354    HA   PHE  51           HA       PHE  51  -6.999  -4.339  -5.143
  355   1HB   PHE  51          2HB       PHE  51  -7.606  -1.505  -4.281
  356   2HB   PHE  51          1HB       PHE  51  -8.023  -2.981  -3.417
  357    HD1  PHE  51           1HD      PHE  51  -6.224  -4.359  -2.405
  358    HD2  PHE  51           2HD      PHE  51  -5.470  -0.509  -4.066
  359    HE1  PHE  51           1HE      PHE  51  -4.097  -4.249  -1.179
  360    HE2  PHE  51           2HE      PHE  51  -3.348  -0.388  -2.825
  361    HZ   PHE  51           HZ       PHE  51  -2.651  -2.264  -1.386
  362    H    ALA  52           H        ALA  52  -7.625  -2.627  -7.793
  363    HA   ALA  52           HA       ALA  52  -9.420  -2.249  -9.131
  364   1HB   ALA  52          1HB       ALA  52  -9.442  -4.795  -8.308
  365   2HB   ALA  52          2HB       ALA  52 -10.591  -4.136  -9.478
  366   3HB   ALA  52          3HB       ALA  52 -11.049  -4.289  -7.777
  367    H    MET  53           H        MET  53  -9.248  -0.672  -6.775
  368    HA   MET  53           HA       MET  53 -12.036   0.087  -6.483
  369   1HB   MET  53          2HB       MET  53 -10.262  -0.879  -4.369
  370   2HB   MET  53          1HB       MET  53 -10.969   0.686  -4.007
  371   1HG   MET  53          2HG       MET  53 -13.108  -0.139  -3.935
  372   2HG   MET  53          1HG       MET  53 -12.718  -1.537  -4.938
  373   1HE   MET  53          1HE       MET  53  -9.938  -2.450  -3.403
  374   2HE   MET  53          2HE       MET  53 -11.161  -3.530  -4.080
  375   3HE   MET  53          3HE       MET  53 -10.642  -3.729  -2.410
  376    H    SER  54           H        SER  54 -12.276   2.366  -5.793
  377    HA   SER  54           HA       SER  54 -10.331   4.019  -7.054
  378   1HB   SER  54          2HB       SER  54 -11.740   5.897  -6.115
  379   2HB   SER  54          1HB       SER  54 -12.620   4.754  -7.128
  380    HG   SER  54           HG       SER  54 -13.891   4.592  -5.467
  381    HA   PRO  55           HA       PRO  55  -7.455   4.679  -3.845
  382   1HB   PRO  55          2HB       PRO  55  -7.693   7.574  -4.522
  383   2HB   PRO  55          1HB       PRO  55  -6.244   6.567  -4.414
  384   1HG   PRO  55          2HG       PRO  55  -7.203   7.233  -6.798
  385   2HG   PRO  55          1HG       PRO  55  -6.619   5.585  -6.507
  386   1HD   PRO  55          2HD       PRO  55  -9.421   6.601  -6.633
  387   2HD   PRO  55          1HD       PRO  55  -8.730   5.094  -7.277
  388    H    GLU  56           H        GLU  56 -10.193   6.777  -4.119
  389    HA   GLU  56           HA       GLU  56 -10.260   7.708  -1.480
  390   1HB   GLU  56          2HB       GLU  56 -12.660   8.236  -2.180
  391   2HB   GLU  56          1HB       GLU  56 -11.371   9.062  -3.026
  392   1HG   GLU  56          2HG       GLU  56 -12.269   6.537  -4.221
  393   2HG   GLU  56          1HG       GLU  56 -13.468   7.826  -4.197
  394    H    GLU  57           H        GLU  57 -11.840   5.101  -3.240
  395    HA   GLU  57           HA       GLU  57 -13.718   4.260  -1.512
  396   1HB   GLU  57          2HB       GLU  57 -12.049   2.985  -3.537
  397   2HB   GLU  57          1HB       GLU  57 -12.656   1.886  -2.324
  398   1HG   GLU  57          2HG       GLU  57 -14.519   3.775  -3.675
  399   2HG   GLU  57          1HG       GLU  57 -14.003   2.304  -4.499
  400    H    PHE  58           H        PHE  58 -10.353   3.660  -1.466
  401    HA   PHE  58           HA       PHE  58 -10.220   2.054   0.835
  402   1HB   PHE  58          2HB       PHE  58  -8.420   2.869  -1.083
  403   2HB   PHE  58          1HB       PHE  58  -7.867   3.724   0.353
  404    HD1  PHE  58           1HD      PHE  58  -9.331   0.351  -0.174
  405    HD2  PHE  58           2HD      PHE  58  -6.049   2.633   1.237
  406    HE1  PHE  58           1HE      PHE  58  -8.255  -1.706   0.630
  407    HE2  PHE  58           2HE      PHE  58  -4.964   0.590   2.046
  408    HZ   PHE  58           HZ       PHE  58  -6.069  -1.575   1.736
  409    H    GLY  59           H        GLY  59  -9.791   5.538   0.266
  410   1HA   GLY  59          2HA       GLY  59  -9.127   6.262   2.893
  411   2HA   GLY  59          1HA       GLY  59  -9.896   7.317   1.717
  412    H    LYS  60           H        LYS  60 -12.128   5.160   1.647
  413    HA   LYS  60           HA       LYS  60 -13.556   6.249   3.893
  414   1HB   LYS  60          2HB       LYS  60 -14.254   5.821   1.167
  415   2HB   LYS  60          1HB       LYS  60 -15.351   4.901   2.188
  416   1HG   LYS  60          2HG       LYS  60 -16.503   6.828   2.206
  417   2HG   LYS  60          1HG       LYS  60 -15.371   7.250   3.492
  418   1HD   LYS  60          2HD       LYS  60 -15.010   7.913   0.570
  419   2HD   LYS  60          1HD       LYS  60 -15.599   9.033   1.800
  420   1HE   LYS  60          2HE       LYS  60 -13.491   9.588   2.231
  421   2HE   LYS  60          1HE       LYS  60 -13.219   7.948   2.817
  422   1HZ   LYS  60          1HZ       LYS  60 -11.764   8.904   0.917
  423   2HZ   LYS  60          2HZ       LYS  60 -13.074   8.492  -0.069
  424   3HZ   LYS  60          3HZ       LYS  60 -12.290   7.298   0.838
  425    H    LEU  61           H        LEU  61 -12.484   3.291   2.545
  426    HA   LEU  61           HA       LEU  61 -14.155   1.450   3.765
  427   1HB   LEU  61          2HB       LEU  61 -11.266   1.321   2.980
  428   2HB   LEU  61          1HB       LEU  61 -12.069  -0.048   3.707
  429    HG   LEU  61           HG       LEU  61 -13.123   1.260   1.217
  430   1HD1  LEU  61          1HD1      LEU  61 -11.587  -1.245   1.000
  431   2HD1  LEU  61          2HD1      LEU  61 -10.654   0.223   1.267
  432   3HD1  LEU  61          3HD1      LEU  61 -11.727   0.100  -0.128
  433   1HD2  LEU  61          1HD2      LEU  61 -13.659  -1.247   2.736
  434   2HD2  LEU  61          2HD2      LEU  61 -13.906  -1.223   0.991
  435   3HD2  LEU  61          3HD2      LEU  61 -14.790  -0.098   2.024
  436    H    ALA  62           H        ALA  62 -12.848  -0.229   5.378
  437    HA   ALA  62           HA       ALA  62 -12.485   1.341   7.828
  438   1HB   ALA  62          1HB       ALA  62 -12.884  -1.643   7.672
  439   2HB   ALA  62          2HB       ALA  62 -14.235  -0.504   7.653
  440   3HB   ALA  62          3HB       ALA  62 -13.153  -0.562   9.044
  441    H    LEU  63           H        LEU  63 -11.086  -0.380   9.393
  442    HA   LEU  63           HA       LEU  63  -8.460  -0.274   8.161
  443   1HB   LEU  63          2HB       LEU  63  -9.459   0.026  10.808
  444   2HB   LEU  63          1HB       LEU  63  -8.335  -1.319  10.803
  445    HG   LEU  63           HG       LEU  63  -7.179   0.723  11.390
  446   1HD1  LEU  63          1HD1      LEU  63  -6.338  -1.084   9.564
  447   2HD1  LEU  63          2HD1      LEU  63  -5.340   0.224  10.199
  448   3HD1  LEU  63          3HD1      LEU  63  -6.164   0.414   8.651
  449   1HD2  LEU  63          1HD2      LEU  63  -8.589   1.755   8.995
  450   2HD2  LEU  63          2HD2      LEU  63  -6.966   2.367   9.313
  451   3HD2  LEU  63          3HD2      LEU  63  -8.229   2.546  10.530
  452    H    TRP  64           H        TRP  64 -10.855  -2.518   9.024
  453    HA   TRP  64           HA       TRP  64  -9.167  -4.795   8.995
  454   1HB   TRP  64          2HB       TRP  64 -11.364  -6.042   9.153
  455   2HB   TRP  64          1HB       TRP  64 -11.028  -4.923  10.470
  456    HD1  TRP  64           HD       TRP  64 -12.467  -2.579  10.461
  457    HE1  TRP  64           1HE      TRP  64 -14.806  -2.081   9.491
  458    HE3  TRP  64           3HE      TRP  64 -12.930  -6.555   7.325
  459    HZ2  TRP  64           2HZ      TRP  64 -16.610  -3.226   7.683
  460    HZ3  TRP  64           3HZ      TRP  64 -14.999  -6.800   6.005
  461    HH2  TRP  64           HH       TRP  64 -16.797  -5.152   6.188
  462    H    LYS  65           H        LYS  65 -11.872  -3.690   6.944
  463    HA   LYS  65           HA       LYS  65 -11.530  -5.611   4.961
  464   1HB   LYS  65          2HB       LYS  65 -12.642  -3.853   3.451
  465   2HB   LYS  65          1HB       LYS  65 -13.548  -4.412   4.845
  466   1HG   LYS  65          2HG       LYS  65 -12.299  -2.258   5.884
  467   2HG   LYS  65          1HG       LYS  65 -12.491  -1.764   4.205
  468   1HD   LYS  65          2HD       LYS  65 -14.613  -2.512   6.190
  469   2HD   LYS  65          1HD       LYS  65 -14.450  -1.019   5.274
  470   1HE   LYS  65          2HE       LYS  65 -14.645  -2.896   3.293
  471   2HE   LYS  65          1HE       LYS  65 -15.709  -3.555   4.535
  472   1HZ   LYS  65          1HZ       LYS  65 -16.991  -1.577   4.535
  473   2HZ   LYS  65          2HZ       LYS  65 -16.797  -2.028   2.916
  474   3HZ   LYS  65          3HZ       LYS  65 -15.878  -0.760   3.556
  475    H    ARG  66           H        ARG  66 -10.073  -2.445   5.419
  476    HA   ARG  66           HA       ARG  66  -8.638  -2.292   3.024
  477   1HB   ARG  66          2HB       ARG  66  -8.503  -1.059   5.716
  478   2HB   ARG  66          1HB       ARG  66  -7.051  -0.979   4.742
  479   1HG   ARG  66          2HG       ARG  66  -8.699  -0.108   2.899
  480   2HG   ARG  66          1HG       ARG  66  -9.712   0.278   4.288
  481   1HD   ARG  66          2HD       ARG  66  -8.046   2.050   3.351
  482   2HD   ARG  66          1HD       ARG  66  -8.244   1.856   5.091
  483    HE   ARG  66           HE       ARG  66  -6.136   0.247   3.989
  484   1HH1  ARG  66          1HH1      ARG  66  -6.963   3.409   5.220
  485   2HH1  ARG  66          2HH1      ARG  66  -5.348   3.777   5.723
  486   1HH2  ARG  66          1HH2      ARG  66  -4.012   0.726   4.666
  487   2HH2  ARG  66          2HH2      ARG  66  -3.671   2.255   5.404
  488    H    ASN  67           H        ASN  67  -7.890  -3.721   6.190
  489    HA   ASN  67           HA       ASN  67  -5.247  -4.426   5.648
  490   1HB   ASN  67          2HB       ASN  67  -7.316  -5.090   7.638
  491   2HB   ASN  67          1HB       ASN  67  -6.075  -6.310   7.421
  492   1HD2  ASN  67          1HD2      ASN  67  -6.581  -4.692   9.737
  493   2HD2  ASN  67          2HD2      ASN  67  -5.149  -3.770  10.031
  494    H    GLU  68           H        GLU  68  -8.307  -6.166   5.203
  495    HA   GLU  68           HA       GLU  68  -7.163  -8.555   4.313
  496   1HB   GLU  68          2HB       GLU  68  -9.901  -7.456   3.709
  497   2HB   GLU  68          1HB       GLU  68  -9.403  -9.132   3.518
  498   1HG   GLU  68          2HG       GLU  68  -9.243  -7.763   6.173
  499   2HG   GLU  68          1HG       GLU  68 -10.748  -8.477   5.598
  500    H    LEU  69           H        LEU  69  -7.599  -5.554   2.828
  501    HA   LEU  69           HA       LEU  69  -7.407  -6.615   0.119
  502   1HB   LEU  69          2HB       LEU  69  -7.754  -3.817   1.190
  503   2HB   LEU  69          1HB       LEU  69  -7.581  -4.187  -0.520
  504    HG   LEU  69           HG       LEU  69  -9.801  -5.152   1.275
  505   1HD1  LEU  69          1HD1      LEU  69  -9.553  -2.909  -0.676
  506   2HD1  LEU  69          2HD1      LEU  69 -10.324  -2.938   0.911
  507   3HD1  LEU  69          3HD1      LEU  69 -11.106  -3.718  -0.466
  508   1HD2  LEU  69          1HD2      LEU  69  -8.793  -6.238  -1.109
  509   2HD2  LEU  69          2HD2      LEU  69 -10.303  -5.427  -1.527
  510   3HD2  LEU  69          3HD2      LEU  69 -10.285  -6.665  -0.270
  511    H    LYS  70           H        LYS  70  -5.675  -4.259   2.146
  512    HA   LYS  70           HA       LYS  70  -3.557  -3.717   0.515
  513   1HB   LYS  70          2HB       LYS  70  -2.641  -2.716   2.338
  514   2HB   LYS  70          1HB       LYS  70  -4.266  -2.925   2.945
  515   1HG   LYS  70          2HG       LYS  70  -3.604  -4.853   4.213
  516   2HG   LYS  70          1HG       LYS  70  -1.986  -4.803   3.510
  517   1HD   LYS  70          2HD       LYS  70  -2.104  -3.845   5.800
  518   2HD   LYS  70          1HD       LYS  70  -1.518  -2.708   4.586
  519   1HE   LYS  70          2HE       LYS  70  -3.417  -1.422   4.676
  520   2HE   LYS  70          1HE       LYS  70  -4.431  -2.762   5.203
  521   1HZ   LYS  70          1HZ       LYS  70  -3.978  -2.365   7.351
  522   2HZ   LYS  70          2HZ       LYS  70  -3.563  -0.817   6.812
  523   3HZ   LYS  70          3HZ       LYS  70  -2.356  -1.975   7.064
  524    H    LYS  71           H        LYS  71  -4.120  -6.565   2.456
  525    HA   LYS  71           HA       LYS  71  -1.527  -7.639   2.180
  526   1HB   LYS  71          2HB       LYS  71  -4.062  -8.494   3.299
  527   2HB   LYS  71          1HB       LYS  71  -3.254  -9.812   2.462
  528   1HG   LYS  71          2HG       LYS  71  -1.322  -9.605   3.844
  529   2HG   LYS  71          1HG       LYS  71  -1.934  -8.117   4.567
  530   1HD   LYS  71          2HD       LYS  71  -3.133 -10.872   4.844
  531   2HD   LYS  71          1HD       LYS  71  -2.253  -9.982   6.087
  532   1HE   LYS  71          2HE       LYS  71  -4.025  -8.182   5.845
  533   2HE   LYS  71          1HE       LYS  71  -4.942  -9.351   4.896
  534   1HZ   LYS  71          1HZ       LYS  71  -4.384 -10.809   7.040
  535   2HZ   LYS  71          2HZ       LYS  71  -5.775  -9.856   6.912
  536   3HZ   LYS  71          3HZ       LYS  71  -4.429  -9.277   7.756
  537    H    LYS  72           H        LYS  72  -4.345  -7.641   0.225
  538    HA   LYS  72           HA       LYS  72  -3.671  -9.707  -1.521
  539   1HB   LYS  72          2HB       LYS  72  -5.263  -7.239  -2.191
  540   2HB   LYS  72          1HB       LYS  72  -5.309  -8.777  -3.041
  541   1HG   LYS  72          2HG       LYS  72  -6.190  -8.341  -0.198
  542   2HG   LYS  72          1HG       LYS  72  -7.260  -8.438  -1.596
  543   1HD   LYS  72          2HD       LYS  72  -7.183 -10.672  -1.619
  544   2HD   LYS  72          1HD       LYS  72  -5.428 -10.691  -1.439
  545   1HE   LYS  72          2HE       LYS  72  -5.902 -10.079   1.023
  546   2HE   LYS  72          1HE       LYS  72  -7.544 -10.625   0.683
  547   1HZ   LYS  72          1HZ       LYS  72  -6.419 -12.729  -0.174
  548   2HZ   LYS  72          2HZ       LYS  72  -6.465 -12.498   1.500
  549   3HZ   LYS  72          3HZ       LYS  72  -5.039 -12.190   0.643
  550    H    ALA  73           H        ALA  73  -2.838  -6.374  -1.328
  551    HA   ALA  73           HA       ALA  73  -1.325  -6.456  -3.788
  552   1HB   ALA  73          1HB       ALA  73  -1.795  -4.165  -1.896
  553   2HB   ALA  73          2HB       ALA  73  -2.741  -4.510  -3.341
  554   3HB   ALA  73          3HB       ALA  73  -1.040  -4.063  -3.487
  555    H    SER  74           H        SER  74  -0.827  -7.121  -0.526
  556    HA   SER  74           HA       SER  74   1.066  -7.701   0.606
  557   1HB   SER  74          2HB       SER  74   2.841  -6.761  -1.624
  558   2HB   SER  74          1HB       SER  74   3.071  -8.105  -0.506
  559    HG   SER  74           HG       SER  74   1.465  -9.241  -1.617
  560    H    LEU  75           H        LEU  75  -0.125  -4.936   0.314
  561    HA   LEU  75           HA       LEU  75   2.151  -3.244   0.977
  562   1HB   LEU  75          2HB       LEU  75  -0.771  -2.511   0.796
  563   2HB   LEU  75          1HB       LEU  75   0.582  -1.400   0.884
  564    HG   LEU  75           HG       LEU  75  -0.229  -3.155  -1.420
  565   1HD1  LEU  75          1HD1      LEU  75  -0.486  -1.151  -2.621
  566   2HD1  LEU  75          2HD1      LEU  75   0.379  -0.215  -1.399
  567   3HD1  LEU  75          3HD1      LEU  75  -1.227  -0.851  -1.048
  568   1HD2  LEU  75          1HD2      LEU  75   2.028  -3.498  -1.542
  569   2HD2  LEU  75          2HD2      LEU  75   2.420  -1.953  -0.788
  570   3HD2  LEU  75          3HD2      LEU  75   1.873  -2.002  -2.464
  571    H    PHE  76           H        PHE  76   0.772  -5.457   2.680
  572    HA   PHE  76           HA       PHE  76  -0.084  -3.996   4.994
  573   1HB   PHE  76          2HB       PHE  76  -0.951  -6.304   4.140
  574   2HB   PHE  76          1HB       PHE  76   0.457  -6.943   4.982
  575    HD1  PHE  76           1HD      PHE  76   0.685  -5.684   7.443
  576    HD2  PHE  76           2HD      PHE  76  -2.898  -6.545   5.312
  577    HE1  PHE  76           1HE      PHE  76  -0.573  -5.673   9.558
  578    HE2  PHE  76           2HE      PHE  76  -4.157  -6.536   7.420
  579    HZ   PHE  76           HZ       PHE  76  -3.001  -6.099   9.546
  Start of MODEL    6
    1    HA   PRO   9           HA       PRO   9   0.958  15.479   4.832
    2   1HB   PRO   9          2HB       PRO   9   0.526  13.715   7.006
    3   2HB   PRO   9          1HB       PRO   9   1.264  15.322   7.053
    4   1HG   PRO   9          2HG       PRO   9  -1.540  14.510   7.602
    5   2HG   PRO   9          1HG       PRO   9  -0.588  15.825   8.313
    6   1HD   PRO   9          2HD       PRO   9  -2.508  16.347   6.539
    7   2HD   PRO   9          1HD       PRO   9  -0.982  17.252   6.509
    8    H    GLY  10           H        GLY  10   1.156  14.210   3.048
    9   1HA   GLY  10          2HA       GLY  10   0.297  11.403   3.344
   10   2HA   GLY  10          1HA       GLY  10   0.017  12.274   1.843
   11    H    LEU  11           H        LEU  11   1.713   9.872   2.684
   12    HA   LEU  11           HA       LEU  11   4.411  10.614   2.302
   13   1HB   LEU  11          2HB       LEU  11   3.441   7.870   1.652
   14   2HB   LEU  11          1HB       LEU  11   4.928   8.368   2.436
   15    HG   LEU  11           HG       LEU  11   2.836   9.151   4.161
   16   1HD1  LEU  11          1HD1      LEU  11   1.809   7.174   2.583
   17   2HD1  LEU  11          2HD1      LEU  11   1.287   7.541   4.227
   18   3HD1  LEU  11          3HD1      LEU  11   2.467   6.261   3.940
   19   1HD2  LEU  11          1HD2      LEU  11   5.123   7.290   4.147
   20   2HD2  LEU  11          2HD2      LEU  11   3.884   6.990   5.364
   21   3HD2  LEU  11          3HD2      LEU  11   4.693   8.555   5.297
   22    H    GLN  12           H        GLN  12   5.746  10.339   0.485
   23    HA   GLN  12           HA       GLN  12   4.670  11.129  -1.944
   24   1HB   GLN  12          2HB       GLN  12   7.212  10.813  -0.892
   25   2HB   GLN  12          1HB       GLN  12   7.180   9.691  -2.246
   26   1HG   GLN  12          2HG       GLN  12   6.380  12.579  -2.455
   27   2HG   GLN  12          1HG       GLN  12   8.009  11.985  -2.777
   28   1HE2  GLN  12          1HE2      GLN  12   4.649  11.788  -3.792
   29   2HE2  GLN  12          2HE2      GLN  12   4.970  11.277  -5.409
   30    H    ILE  13           H        ILE  13   3.779  10.124  -3.591
   31    HA   ILE  13           HA       ILE  13   3.069   7.389  -3.488
   32    HB   ILE  13           HB       ILE  13   2.968   9.180  -5.903
   33   1HG1  ILE  13          2HG1      ILE  13   1.984  10.218  -3.801
   34   2HG1  ILE  13          1HG1      ILE  13   0.891  10.058  -5.165
   35   1HG2  ILE  13          1HG2      ILE  13   2.491   6.690  -6.088
   36   2HG2  ILE  13          2HG2      ILE  13   1.256   7.794  -6.688
   37   3HG2  ILE  13          3HG2      ILE  13   1.051   7.008  -5.125
   38   1HD1  ILE  13          1HD1      ILE  13   0.536   7.711  -3.769
   39   2HD1  ILE  13          2HD1      ILE  13  -0.524   9.121  -3.739
   40   3HD1  ILE  13          3HD1      ILE  13   0.726   8.929  -2.508
   41    H    TYR  14           H        TYR  14   3.803   5.643  -4.632
   42    HA   TYR  14           HA       TYR  14   6.119   6.013  -6.393
   43   1HB   TYR  14          2HB       TYR  14   5.927   3.872  -4.266
   44   2HB   TYR  14          1HB       TYR  14   7.270   4.134  -5.373
   45    HD1  TYR  14           1HD      TYR  14   6.328   4.541  -2.115
   46    HD2  TYR  14           2HD      TYR  14   8.069   6.762  -5.292
   47    HE1  TYR  14           1HE      TYR  14   7.379   6.041  -0.479
   48    HE2  TYR  14           2HE      TYR  14   9.126   8.275  -3.666
   49    HH   TYR  14           HH       TYR  14   8.833   8.999  -1.365
   50    HA   PRO  15           HA       PRO  15   4.006   3.175  -9.003
   51   1HB   PRO  15          2HB       PRO  15   6.001   1.982 -10.358
   52   2HB   PRO  15          1HB       PRO  15   5.620   3.697 -10.561
   53   1HG   PRO  15          2HG       PRO  15   7.776   2.418  -8.927
   54   2HG   PRO  15          1HG       PRO  15   7.864   3.846  -9.975
   55   1HD   PRO  15          2HD       PRO  15   7.615   3.983  -7.259
   56   2HD   PRO  15          1HD       PRO  15   7.011   5.234  -8.360
   57    H    TYR  16           H        TYR  16   3.995   2.081  -6.490
   58    HA   TYR  16           HA       TYR  16   3.734   0.109  -5.377
   59   1HB   TYR  16          2HB       TYR  16   2.297  -0.295  -7.359
   60   2HB   TYR  16          1HB       TYR  16   3.662  -1.064  -8.153
   61    HD1  TYR  16           1HD      TYR  16   1.816  -1.354  -4.895
   62    HD2  TYR  16           2HD      TYR  16   3.666  -3.365  -8.158
   63    HE1  TYR  16           1HE      TYR  16   1.100  -3.512  -3.963
   64    HE2  TYR  16           2HE      TYR  16   2.959  -5.526  -7.233
   65    HH   TYR  16           HH       TYR  16   1.900  -5.940  -4.121
   66    H    GLU  17           H        GLU  17   5.579  -1.022  -8.121
   67    HA   GLU  17           HA       GLU  17   7.103  -2.923  -6.892
   68   1HB   GLU  17          2HB       GLU  17   7.898  -1.147  -9.201
   69   2HB   GLU  17          1HB       GLU  17   8.727  -2.629  -8.746
   70   1HG   GLU  17          2HG       GLU  17   7.067  -3.971  -9.543
   71   2HG   GLU  17          1HG       GLU  17   5.810  -2.765  -9.269
   72    H    MET  18           H        MET  18   7.469   0.502  -6.718
   73    HA   MET  18           HA       MET  18  10.176   0.597  -5.934
   74   1HB   MET  18          2HB       MET  18   7.921   2.445  -6.084
   75   2HB   MET  18          1HB       MET  18   8.993   2.785  -4.733
   76   1HG   MET  18          2HG       MET  18   9.874   2.507  -7.597
   77   2HG   MET  18          1HG       MET  18   9.557   4.037  -6.781
   78   1HE   MET  18          1HE       MET  18  12.696   4.181  -7.780
   79   2HE   MET  18          2HE       MET  18  11.925   2.703  -8.353
   80   3HE   MET  18          3HE       MET  18  13.437   2.615  -7.449
   81    H    LEU  19           H        LEU  19   7.260  -0.202  -4.329
   82    HA   LEU  19           HA       LEU  19   8.575  -0.181  -1.697
   83   1HB   LEU  19          2HB       LEU  19   5.641  -0.484  -2.272
   84   2HB   LEU  19          1HB       LEU  19   6.393  -0.087  -0.736
   85    HG   LEU  19           HG       LEU  19   6.931   1.846  -2.878
   86   1HD1  LEU  19          1HD1      LEU  19   4.849   2.486  -3.418
   87   2HD1  LEU  19          2HD1      LEU  19   4.224   2.174  -1.804
   88   3HD1  LEU  19          3HD1      LEU  19   4.405   0.849  -2.948
   89   1HD2  LEU  19          1HD2      LEU  19   6.914   1.749  -0.077
   90   2HD2  LEU  19          2HD2      LEU  19   5.615   2.853  -0.529
   91   3HD2  LEU  19          3HD2      LEU  19   7.257   3.142  -1.102
   92    H    VAL  20           H        VAL  20   6.862  -2.104  -4.044
   93    HA   VAL  20           HA       VAL  20   6.401  -4.417  -2.529
   94    HB   VAL  20           HB       VAL  20   6.923  -4.387  -5.490
   95   1HG1  VAL  20          1HG1      VAL  20   6.574  -6.568  -5.024
   96   2HG1  VAL  20          2HG1      VAL  20   4.887  -6.075  -5.123
   97   3HG1  VAL  20          3HG1      VAL  20   5.671  -6.234  -3.551
   98   1HG2  VAL  20          1HG2      VAL  20   5.061  -2.784  -4.164
   99   2HG2  VAL  20          2HG2      VAL  20   4.143  -4.159  -4.762
  100   3HG2  VAL  20          3HG2      VAL  20   5.093  -3.185  -5.880
  101    H    VAL  21           H        VAL  21   7.918  -5.521  -1.501
  102    HA   VAL  21           HA       VAL  21  10.484  -5.975  -2.802
  103    HB   VAL  21           HB       VAL  21   9.820  -6.364   0.113
  104   1HG1  VAL  21          1HG1      VAL  21  11.792  -7.583  -1.090
  105   2HG1  VAL  21          2HG1      VAL  21  12.047  -6.823   0.482
  106   3HG1  VAL  21          3HG1      VAL  21  12.569  -6.002  -0.990
  107   1HG2  VAL  21          1HG2      VAL  21   9.901  -3.950  -1.109
  108   2HG2  VAL  21          2HG2      VAL  21  11.596  -4.156  -0.671
  109   3HG2  VAL  21          3HG2      VAL  21  10.347  -4.225   0.573
  110    H    THR  22           H        THR  22  10.929  -7.961  -3.548
  111    HA   THR  22           HA       THR  22   9.071 -10.090  -3.054
  112    HB   THR  22           HB       THR  22  11.176 -11.016  -4.659
  113    HG1  THR  22           1HG      THR  22  10.352  -8.414  -5.410
  114   1HG2  THR  22          1HG2      THR  22   9.158 -10.101  -6.361
  115   2HG2  THR  22          2HG2      THR  22   8.360 -10.605  -4.870
  116   3HG2  THR  22          3HG2      THR  22   9.396 -11.735  -5.742
  117    H    ASN  23           H        ASN  23  10.471  -9.476  -0.732
  118    HA   ASN  23           HA       ASN  23  11.323 -11.960   0.130
  119   1HB   ASN  23          2HB       ASN  23  13.316 -10.759  -1.415
  120   2HB   ASN  23          1HB       ASN  23  13.833 -10.515   0.250
  121   1HD2  ASN  23          1HD2      ASN  23  13.362 -12.769  -2.287
  122   2HD2  ASN  23          2HD2      ASN  23  13.993 -14.155  -1.473
  123    H    LYS  24           H        LYS  24   9.891  -9.482   0.924
  124    HA   LYS  24           HA       LYS  24   9.668  -8.024   2.687
  125   1HB   LYS  24          2HB       LYS  24  10.532 -10.465   4.236
  126   2HB   LYS  24          1HB       LYS  24   9.463  -9.179   4.780
  127   1HG   LYS  24          2HG       LYS  24   8.807 -10.970   2.458
  128   2HG   LYS  24          1HG       LYS  24   8.358 -11.345   4.123
  129   1HD   LYS  24          2HD       LYS  24   7.246  -9.063   4.182
  130   2HD   LYS  24          1HD       LYS  24   7.465  -9.023   2.431
  131   1HE   LYS  24          2HE       LYS  24   5.305  -9.859   2.707
  132   2HE   LYS  24          1HE       LYS  24   6.284 -11.298   2.428
  133   1HZ   LYS  24          1HZ       LYS  24   5.935 -10.476   5.200
  134   2HZ   LYS  24          2HZ       LYS  24   5.973 -12.027   4.528
  135   3HZ   LYS  24          3HZ       LYS  24   4.565 -11.096   4.423
  136    H    GLY  25           H        GLY  25  11.308  -6.497   2.442
  137   1HA   GLY  25          2HA       GLY  25  12.858  -5.416   4.044
  138   2HA   GLY  25          1HA       GLY  25  13.680  -6.963   4.145
  139    H    ARG  26           H        ARG  26  15.160  -7.528   2.596
  140    HA   ARG  26           HA       ARG  26  16.875  -7.063   1.170
  141   1HB   ARG  26          2HB       ARG  26  14.436  -6.330  -0.425
  142   2HB   ARG  26          1HB       ARG  26  16.036  -6.507  -1.133
  143   1HG   ARG  26          2HG       ARG  26  14.452  -8.645   0.270
  144   2HG   ARG  26          1HG       ARG  26  14.737  -8.515  -1.466
  145   1HD   ARG  26          2HD       ARG  26  17.206  -8.646  -0.940
  146   2HD   ARG  26          1HD       ARG  26  16.743  -9.084   0.704
  147    HE   ARG  26           HE       ARG  26  15.521 -10.722  -1.318
  148   1HH1  ARG  26          1HH1      ARG  26  18.340 -10.286   0.693
  149   2HH1  ARG  26          2HH1      ARG  26  18.796 -11.955   0.631
  150   1HH2  ARG  26          1HH2      ARG  26  16.119 -12.917  -1.400
  151   2HH2  ARG  26          2HH2      ARG  26  17.536 -13.450  -0.557
  152    H    THR  27           H        THR  27  15.826  -4.667  -0.840
  153    HA   THR  27           HA       THR  27  17.672  -2.796   0.162
  154    HB   THR  27           HB       THR  27  17.488  -2.471  -2.069
  155    HG1  THR  27           1HG      THR  27  17.041  -0.466  -1.194
  156   1HG2  THR  27          1HG2      THR  27  15.273  -2.372  -3.294
  157   2HG2  THR  27          2HG2      THR  27  14.559  -3.059  -1.835
  158   3HG2  THR  27          3HG2      THR  27  15.793  -3.956  -2.720
  159    H    LYS  28           H        LYS  28  17.188  -0.562   0.683
  160    HA   LYS  28           HA       LYS  28  15.290  -0.425   2.821
  161   1HB   LYS  28          2HB       LYS  28  17.208   1.534   1.591
  162   2HB   LYS  28          1HB       LYS  28  16.038   2.055   2.796
  163   1HG   LYS  28          2HG       LYS  28  17.114   1.021   4.493
  164   2HG   LYS  28          1HG       LYS  28  17.668  -0.312   3.477
  165   1HD   LYS  28          2HD       LYS  28  19.572   0.995   4.158
  166   2HD   LYS  28          1HD       LYS  28  19.304   1.234   2.430
  167   1HE   LYS  28          2HE       LYS  28  19.772   3.368   3.379
  168   2HE   LYS  28          1HE       LYS  28  18.050   3.323   3.002
  169   1HZ   LYS  28          1HZ       LYS  28  19.111   2.705   5.699
  170   2HZ   LYS  28          2HZ       LYS  28  17.511   3.037   5.261
  171   3HZ   LYS  28          3HZ       LYS  28  18.668   4.270   5.229
  172    H    LEU  29           H        LEU  29  13.443   0.856   2.983
  173    HA   LEU  29           HA       LEU  29  12.011   1.201   0.537
  174   1HB   LEU  29          2HB       LEU  29  11.367   1.417   3.436
  175   2HB   LEU  29          1HB       LEU  29  10.297   2.201   2.282
  176    HG   LEU  29           HG       LEU  29  10.980  -0.741   2.337
  177   1HD1  LEU  29          1HD1      LEU  29   8.800   0.883   3.485
  178   2HD1  LEU  29          2HD1      LEU  29   9.482  -0.651   4.024
  179   3HD1  LEU  29          3HD1      LEU  29   8.329  -0.618   2.690
  180   1HD2  LEU  29          1HD2      LEU  29  10.612  -0.134   0.075
  181   2HD2  LEU  29          2HD2      LEU  29   9.246   0.897   0.502
  182   3HD2  LEU  29          3HD2      LEU  29   9.109  -0.854   0.654
  183    HA   PRO  30           HA       PRO  30  12.476   5.456  -0.456
  184   1HB   PRO  30          2HB       PRO  30   9.559   5.804   0.081
  185   2HB   PRO  30          1HB       PRO  30  10.508   6.276  -1.335
  186   1HG   PRO  30          2HG       PRO  30   8.937   4.134  -1.422
  187   2HG   PRO  30          1HG       PRO  30  10.528   4.122  -2.203
  188   1HD   PRO  30          2HD       PRO  30   9.657   2.837   0.342
  189   2HD   PRO  30          1HD       PRO  30  10.833   2.275  -0.864
  190    HA   PRO  31           HA       PRO  31  13.046   7.691   3.315
  191   1HB   PRO  31          2HB       PRO  31  12.396  10.128   1.745
  192   2HB   PRO  31          1HB       PRO  31  13.833   9.754   2.703
  193   1HG   PRO  31          2HG       PRO  31  13.915   9.705   0.039
  194   2HG   PRO  31          1HG       PRO  31  14.803   8.512   1.004
  195   1HD   PRO  31          2HD       PRO  31  12.238   8.206  -0.500
  196   2HD   PRO  31          1HD       PRO  31  13.578   7.056  -0.304
  197    H    GLY  32           H        GLY  32  11.133   6.939   4.368
  198   1HA   GLY  32          2HA       GLY  32   9.433   7.873   5.781
  199   2HA   GLY  32          1HA       GLY  32   9.048   9.012   4.501
  200    H    VAL  33           H        VAL  33   9.132   5.482   5.005
  201    HA   VAL  33           HA       VAL  33   6.632   5.305   3.558
  202    HB   VAL  33           HB       VAL  33   8.868   3.358   3.701
  203   1HG1  VAL  33          1HG1      VAL  33   6.053   2.936   2.758
  204   2HG1  VAL  33          2HG1      VAL  33   6.961   1.982   3.931
  205   3HG1  VAL  33          3HG1      VAL  33   7.392   1.922   2.222
  206   1HG2  VAL  33          1HG2      VAL  33   8.012   5.336   1.843
  207   2HG2  VAL  33          2HG2      VAL  33   7.971   3.745   1.083
  208   3HG2  VAL  33          3HG2      VAL  33   9.466   4.340   1.809
  209    H    ASP  34           H        ASP  34   5.081   3.861   4.230
  210    HA   ASP  34           HA       ASP  34   5.249   3.276   7.093
  211   1HB   ASP  34          2HB       ASP  34   3.480   4.836   5.729
  212   2HB   ASP  34          1HB       ASP  34   2.605   3.305   5.800
  213    H    ARG  35           H        ARG  35   5.876   1.183   7.243
  214    HA   ARG  35           HA       ARG  35   5.400  -0.888   5.476
  215   1HB   ARG  35          2HB       ARG  35   6.156  -0.675   8.317
  216   2HB   ARG  35          1HB       ARG  35   5.446  -2.214   7.852
  217   1HG   ARG  35          2HG       ARG  35   7.373  -2.864   6.989
  218   2HG   ARG  35          1HG       ARG  35   7.360  -1.490   5.882
  219   1HD   ARG  35          2HD       ARG  35   8.766  -0.260   7.174
  220   2HD   ARG  35          1HD       ARG  35   8.150  -0.941   8.679
  221    HE   ARG  35           HE       ARG  35   9.625  -2.840   7.131
  222   1HH1  ARG  35          1HH1      ARG  35   9.924  -0.212   9.407
  223   2HH1  ARG  35          2HH1      ARG  35  11.455  -0.746  10.014
  224   1HH2  ARG  35          1HH2      ARG  35  11.639  -3.545   7.929
  225   2HH2  ARG  35          2HH2      ARG  35  12.429  -2.638   9.176
  226    H    MET  36           H        MET  36   3.392   0.249   8.145
  227    HA   MET  36           HA       MET  36   1.383  -1.749   7.576
  228   1HB   MET  36          2HB       MET  36   1.308   0.397   9.685
  229   2HB   MET  36          1HB       MET  36   0.312  -1.049   9.604
  230   1HG   MET  36          2HG       MET  36   1.785  -2.115  10.855
  231   2HG   MET  36          1HG       MET  36   2.993  -1.908   9.589
  232   1HE   MET  36          1HE       MET  36   5.272   0.493  10.356
  233   2HE   MET  36          2HE       MET  36   4.852  -1.116   9.767
  234   3HE   MET  36          3HE       MET  36   5.549  -0.919  11.375
  235    H    ARG  37           H        ARG  37   2.122   0.981   6.104
  236    HA   ARG  37           HA       ARG  37  -0.623   1.494   5.318
  237   1HB   ARG  37          2HB       ARG  37   0.697   3.180   7.179
  238   2HB   ARG  37          1HB       ARG  37   0.615   4.060   5.661
  239   1HG   ARG  37          2HG       ARG  37  -1.351   4.680   6.656
  240   2HG   ARG  37          1HG       ARG  37  -1.878   3.308   5.680
  241   1HD   ARG  37          2HD       ARG  37  -2.589   2.256   7.501
  242   2HD   ARG  37          1HD       ARG  37  -0.976   2.343   8.206
  243    HE   ARG  37           HE       ARG  37  -2.501   4.772   8.456
  244   1HH1  ARG  37          1HH1      ARG  37  -1.768   1.678   9.898
  245   2HH1  ARG  37          2HH1      ARG  37  -2.215   2.177  11.495
  246   1HH2  ARG  37          1HH2      ARG  37  -3.089   5.429  10.555
  247   2HH2  ARG  37          2HH2      ARG  37  -2.966   4.306  11.868
  248    H    LEU  38           H        LEU  38   1.249   0.231   3.845
  249    HA   LEU  38           HA       LEU  38   2.801   1.931   2.207
  250   1HB   LEU  38          2HB       LEU  38   2.217  -0.888   2.456
  251   2HB   LEU  38          1HB       LEU  38   2.254  -0.411   0.778
  252    HG   LEU  38           HG       LEU  38   4.435  -1.054   1.093
  253   1HD1  LEU  38          1HD1      LEU  38   4.455   1.834   1.931
  254   2HD1  LEU  38          2HD1      LEU  38   4.499   1.219   0.279
  255   3HD1  LEU  38          3HD1      LEU  38   5.859   0.930   1.366
  256   1HD2  LEU  38          1HD2      LEU  38   3.819  -0.560   3.868
  257   2HD2  LEU  38          2HD2      LEU  38   5.430   0.026   3.453
  258   3HD2  LEU  38          3HD2      LEU  38   4.999  -1.657   3.153
  259    H    GLU  39           H        GLU  39  -0.437   0.829   2.125
  260    HA   GLU  39           HA       GLU  39  -1.140   1.126  -0.537
  261   1HB   GLU  39          2HB       GLU  39  -2.854   1.826   1.852
  262   2HB   GLU  39          1HB       GLU  39  -3.429   1.444   0.234
  263   1HG   GLU  39          2HG       GLU  39  -3.710  -0.602   1.103
  264   2HG   GLU  39          1HG       GLU  39  -1.991  -0.765   0.749
  265    H    ARG  40           H        ARG  40  -0.552   3.557   1.885
  266    HA   ARG  40           HA       ARG  40  -1.737   5.696   0.450
  267   1HB   ARG  40          2HB       ARG  40  -0.074   5.434   2.893
  268   2HB   ARG  40          1HB       ARG  40  -0.098   7.003   2.100
  269   1HG   ARG  40          2HG       ARG  40  -1.935   7.429   3.266
  270   2HG   ARG  40          1HG       ARG  40  -2.763   6.288   2.204
  271   1HD   ARG  40          2HD       ARG  40  -2.309   4.476   3.750
  272   2HD   ARG  40          1HD       ARG  40  -1.388   5.564   4.789
  273    HE   ARG  40           HE       ARG  40  -3.354   6.271   5.698
  274   1HH1  ARG  40          1HH1      ARG  40  -4.042   4.806   2.606
  275   2HH1  ARG  40          2HH1      ARG  40  -5.759   4.921   2.792
  276   1HH2  ARG  40          1HH2      ARG  40  -5.613   6.425   5.944
  277   2HH2  ARG  40          2HH2      ARG  40  -6.652   5.841   4.687
  278    H    HIS  41           H        HIS  41   0.990   3.929  -0.136
  279    HA   HIS  41           HA       HIS  41   2.491   6.152  -1.304
  280   1HB   HIS  41          2HB       HIS  41   3.194   3.295  -0.682
  281   2HB   HIS  41          1HB       HIS  41   4.217   4.302  -1.702
  282    HD1  HIS  41           1HD      HIS  41   5.366   6.356  -0.535
  283    HD2  HIS  41           2HD      HIS  41   3.378   3.771   2.022
  284    HE1  HIS  41           1HE      HIS  41   6.194   6.921   1.769
  285    HE2  HIS  41           2HE      HIS  41   4.773   5.519   3.304
  286    H    LEU  42           H        LEU  42   0.509   3.440  -2.177
  287    HA   LEU  42           HA       LEU  42   1.370   3.034  -4.803
  288   1HB   LEU  42          2HB       LEU  42  -0.969   2.405  -3.158
  289   2HB   LEU  42          1HB       LEU  42  -1.312   2.545  -4.862
  290    HG   LEU  42           HG       LEU  42   0.366   0.525  -3.440
  291   1HD1  LEU  42          1HD1      LEU  42  -1.985   0.631  -5.246
  292   2HD1  LEU  42          2HD1      LEU  42  -1.709  -0.352  -3.803
  293   3HD1  LEU  42          3HD1      LEU  42  -0.939  -0.790  -5.328
  294   1HD2  LEU  42          1HD2      LEU  42   0.868   1.667  -6.120
  295   2HD2  LEU  42          2HD2      LEU  42   0.848  -0.093  -6.016
  296   3HD2  LEU  42          3HD2      LEU  42   1.965   0.836  -5.017
  297    H    SER  43           H        SER  43   0.870   3.969  -6.700
  298    HA   SER  43           HA       SER  43  -0.173   6.619  -6.651
  299   1HB   SER  43          2HB       SER  43   1.247   4.967  -8.505
  300   2HB   SER  43          1HB       SER  43  -0.148   5.708  -9.287
  301    HG   SER  43           HG       SER  43   0.867   7.535  -9.266
  302    H    ALA  44           H        ALA  44  -2.010   7.305  -7.850
  303    HA   ALA  44           HA       ALA  44  -4.322   5.894  -7.216
  304   1HB   ALA  44          1HB       ALA  44  -4.051   7.898  -9.450
  305   2HB   ALA  44          2HB       ALA  44  -4.216   8.330  -7.746
  306   3HB   ALA  44          3HB       ALA  44  -5.525   7.482  -8.573
  307    H    GLU  45           H        GLU  45  -2.316   5.803 -10.048
  308    HA   GLU  45           HA       GLU  45  -4.093   4.278 -11.622
  309   1HB   GLU  45          2HB       GLU  45  -1.118   4.692 -11.918
  310   2HB   GLU  45          1HB       GLU  45  -2.181   4.007 -13.140
  311   1HG   GLU  45          2HG       GLU  45  -3.359   6.104 -13.348
  312   2HG   GLU  45          1HG       GLU  45  -2.403   6.800 -12.040
  313    H    ASP  46           H        ASP  46  -1.866   3.623  -9.100
  314    HA   ASP  46           HA       ASP  46  -1.630   0.863  -9.835
  315   1HB   ASP  46          2HB       ASP  46  -0.387   2.452  -7.603
  316   2HB   ASP  46          1HB       ASP  46  -0.225   0.699  -7.725
  317    H    PHE  47           H        PHE  47  -2.932   2.783  -7.105
  318    HA   PHE  47           HA       PHE  47  -3.880   0.579  -5.676
  319   1HB   PHE  47          2HB       PHE  47  -3.853   2.806  -4.679
  320   2HB   PHE  47          1HB       PHE  47  -5.071   3.348  -5.836
  321    HD1  PHE  47           1HD      PHE  47  -7.341   2.301  -5.783
  322    HD2  PHE  47           2HD      PHE  47  -4.470   1.709  -2.703
  323    HE1  PHE  47           1HE      PHE  47  -9.124   1.526  -4.279
  324    HE2  PHE  47           2HE      PHE  47  -6.242   0.928  -1.197
  325    HZ   PHE  47           HZ       PHE  47  -8.580   0.838  -1.988
  326    H    SER  48           H        SER  48  -5.479   2.596  -8.001
  327    HA   SER  48           HA       SER  48  -7.929   1.359  -8.128
  328   1HB   SER  48          2HB       SER  48  -8.161   2.337 -10.381
  329   2HB   SER  48          1HB       SER  48  -7.501   3.494  -9.225
  330    HG   SER  48           HG       SER  48  -6.323   3.511 -11.172
  331    H    ARG  49           H        ARG  49  -4.960   0.448  -9.653
  332    HA   ARG  49           HA       ARG  49  -6.254  -1.688 -11.072
  333   1HB   ARG  49          2HB       ARG  49  -3.701  -0.276 -11.317
  334   2HB   ARG  49          1HB       ARG  49  -3.623  -1.998 -11.662
  335   1HG   ARG  49          2HG       ARG  49  -4.753  -1.798 -13.591
  336   2HG   ARG  49          1HG       ARG  49  -5.852  -0.581 -12.941
  337   1HD   ARG  49          2HD       ARG  49  -4.434   0.319 -14.731
  338   2HD   ARG  49          1HD       ARG  49  -4.151   1.129 -13.191
  339    HE   ARG  49           HE       ARG  49  -2.009   0.313 -13.187
  340   1HH1  ARG  49          1HH1      ARG  49  -3.873  -1.387 -15.600
  341   2HH1  ARG  49          2HH1      ARG  49  -2.495  -2.187 -16.280
  342   1HH2  ARG  49          1HH2      ARG  49  -0.197  -0.741 -14.079
  343   2HH2  ARG  49          2HH2      ARG  49  -0.409  -1.822 -15.416
  344    H    VAL  50           H        VAL  50  -4.489  -1.160  -8.260
  345    HA   VAL  50           HA       VAL  50  -3.487  -3.805  -7.944
  346    HB   VAL  50           HB       VAL  50  -3.406  -1.312  -6.325
  347   1HG1  VAL  50          1HG1      VAL  50  -2.160  -3.772  -5.242
  348   2HG1  VAL  50          2HG1      VAL  50  -3.843  -3.440  -4.857
  349   3HG1  VAL  50          3HG1      VAL  50  -2.586  -2.286  -4.414
  350   1HG2  VAL  50          1HG2      VAL  50  -1.425  -1.187  -7.238
  351   2HG2  VAL  50          2HG2      VAL  50  -1.748  -2.639  -8.162
  352   3HG2  VAL  50          3HG2      VAL  50  -0.957  -2.744  -6.588
  353    H    PHE  51           H        PHE  51  -6.044  -1.867  -6.405
  354    HA   PHE  51           HA       PHE  51  -7.048  -4.340  -5.187
  355   1HB   PHE  51          2HB       PHE  51  -7.605  -1.509  -4.295
  356   2HB   PHE  51          1HB       PHE  51  -8.039  -2.990  -3.450
  357    HD1  PHE  51           1HD      PHE  51  -6.231  -4.428  -2.505
  358    HD2  PHE  51           2HD      PHE  51  -5.485  -0.521  -4.021
  359    HE1  PHE  51           1HE      PHE  51  -4.104  -4.361  -1.275
  360    HE2  PHE  51           2HE      PHE  51  -3.364  -0.440  -2.778
  361    HZ   PHE  51           HZ       PHE  51  -2.663  -2.366  -1.409
  362    H    ALA  52           H        ALA  52  -7.599  -2.606  -7.829
  363    HA   ALA  52           HA       ALA  52  -9.361  -2.180  -9.192
  364   1HB   ALA  52          1HB       ALA  52  -9.473  -4.723  -8.357
  365   2HB   ALA  52          2HB       ALA  52 -10.572  -4.036  -9.557
  366   3HB   ALA  52          3HB       ALA  52 -11.074  -4.166  -7.868
  367    H    MET  53           H        MET  53  -9.195  -0.524  -6.950
  368    HA   MET  53           HA       MET  53 -11.958   0.306  -6.712
  369   1HB   MET  53          2HB       MET  53 -10.264  -0.645  -4.487
  370   2HB   MET  53          1HB       MET  53 -11.129   0.855  -4.189
  371   1HG   MET  53          2HG       MET  53 -12.805  -0.436  -3.535
  372   2HG   MET  53          1HG       MET  53 -13.079  -0.732  -5.251
  373   1HE   MET  53          1HE       MET  53  -9.843  -2.171  -3.382
  374   2HE   MET  53          2HE       MET  53 -10.605  -3.513  -2.530
  375   3HE   MET  53          3HE       MET  53 -11.063  -1.855  -2.149
  376    H    SER  54           H        SER  54 -12.114   2.578  -5.898
  377    HA   SER  54           HA       SER  54 -10.088   4.180  -7.108
  378   1HB   SER  54          2HB       SER  54 -11.450   6.084  -6.084
  379   2HB   SER  54          1HB       SER  54 -12.305   5.050  -7.227
  380    HG   SER  54           HG       SER  54 -13.644   4.603  -5.686
  381    HA   PRO  55           HA       PRO  55  -7.241   4.634  -3.829
  382   1HB   PRO  55          2HB       PRO  55  -7.320   7.542  -4.497
  383   2HB   PRO  55          1HB       PRO  55  -5.924   6.465  -4.351
  384   1HG   PRO  55          2HG       PRO  55  -6.783   7.182  -6.758
  385   2HG   PRO  55          1HG       PRO  55  -6.284   5.508  -6.457
  386   1HD   PRO  55          2HD       PRO  55  -9.029   6.653  -6.669
  387   2HD   PRO  55          1HD       PRO  55  -8.391   5.113  -7.285
  388    H    GLU  56           H        GLU  56  -9.885   6.829  -4.167
  389    HA   GLU  56           HA       GLU  56  -9.988   7.789  -1.540
  390   1HB   GLU  56          2HB       GLU  56 -12.360   8.370  -2.308
  391   2HB   GLU  56          1HB       GLU  56 -11.025   9.159  -3.120
  392   1HG   GLU  56          2HG       GLU  56 -11.276   7.751  -5.018
  393   2HG   GLU  56          1HG       GLU  56 -12.412   6.706  -4.164
  394    H    GLU  57           H        GLU  57 -11.616   5.214  -3.311
  395    HA   GLU  57           HA       GLU  57 -13.543   4.435  -1.598
  396   1HB   GLU  57          2HB       GLU  57 -11.883   3.102  -3.595
  397   2HB   GLU  57          1HB       GLU  57 -12.544   2.029  -2.388
  398   1HG   GLU  57          2HG       GLU  57 -14.517   3.878  -3.435
  399   2HG   GLU  57          1HG       GLU  57 -13.792   2.865  -4.684
  400    H    PHE  58           H        PHE  58 -10.194   3.755  -1.496
  401    HA   PHE  58           HA       PHE  58 -10.150   2.154   0.816
  402   1HB   PHE  58          2HB       PHE  58  -8.278   2.928  -1.065
  403   2HB   PHE  58          1HB       PHE  58  -7.734   3.743   0.396
  404    HD1  PHE  58           1HD      PHE  58  -9.292   0.429  -0.230
  405    HD2  PHE  58           2HD      PHE  58  -5.983   2.575   1.327
  406    HE1  PHE  58           1HE      PHE  58  -8.310  -1.676   0.562
  407    HE2  PHE  58           2HE      PHE  58  -4.991   0.481   2.129
  408    HZ   PHE  58           HZ       PHE  58  -6.158  -1.640   1.738
  409    H    GLY  59           H        GLY  59  -9.619   5.622   0.238
  410   1HA   GLY  59          2HA       GLY  59  -8.980   6.355   2.863
  411   2HA   GLY  59          1HA       GLY  59  -9.730   7.411   1.675
  412    H    LYS  60           H        LYS  60 -11.994   5.312   1.583
  413    HA   LYS  60           HA       LYS  60 -13.428   6.423   3.811
  414   1HB   LYS  60          2HB       LYS  60 -14.184   5.606   1.096
  415   2HB   LYS  60          1HB       LYS  60 -15.375   5.270   2.347
  416   1HG   LYS  60          2HG       LYS  60 -15.914   7.381   1.442
  417   2HG   LYS  60          1HG       LYS  60 -15.190   7.684   3.023
  418   1HD   LYS  60          2HD       LYS  60 -14.175   9.259   1.628
  419   2HD   LYS  60          1HD       LYS  60 -12.984   7.959   1.734
  420   1HE   LYS  60          2HE       LYS  60 -13.242   8.766  -0.563
  421   2HE   LYS  60          1HE       LYS  60 -13.728   7.078  -0.406
  422   1HZ   LYS  60          1HZ       LYS  60 -15.983   7.655  -0.536
  423   2HZ   LYS  60          2HZ       LYS  60 -15.236   8.567  -1.748
  424   3HZ   LYS  60          3HZ       LYS  60 -15.680   9.302  -0.291
  425    H    LEU  61           H        LEU  61 -12.380   3.435   2.502
  426    HA   LEU  61           HA       LEU  61 -14.068   1.631   3.752
  427   1HB   LEU  61          2HB       LEU  61 -11.173   1.446   2.987
  428   2HB   LEU  61          1HB       LEU  61 -12.019   0.096   3.700
  429    HG   LEU  61           HG       LEU  61 -12.985   1.427   1.186
  430   1HD1  LEU  61          1HD1      LEU  61 -11.508  -1.128   1.049
  431   2HD1  LEU  61          2HD1      LEU  61 -10.559   0.336   1.278
  432   3HD1  LEU  61          3HD1      LEU  61 -11.618   0.184  -0.125
  433   1HD2  LEU  61          1HD2      LEU  61 -13.514  -1.230   2.496
  434   2HD2  LEU  61          2HD2      LEU  61 -14.033  -0.816   0.862
  435   3HD2  LEU  61          3HD2      LEU  61 -14.655   0.090   2.241
  436    H    ALA  62           H        ALA  62 -12.807  -0.041   5.386
  437    HA   ALA  62           HA       ALA  62 -12.401   1.550   7.817
  438   1HB   ALA  62          1HB       ALA  62 -12.865  -1.428   7.661
  439   2HB   ALA  62          2HB       ALA  62 -14.181  -0.248   7.704
  440   3HB   ALA  62          3HB       ALA  62 -13.055  -0.359   9.057
  441    H    LEU  63           H        LEU  63 -11.049  -0.244   9.378
  442    HA   LEU  63           HA       LEU  63  -8.410  -0.143   8.178
  443   1HB   LEU  63          2HB       LEU  63  -9.434   0.115  10.819
  444   2HB   LEU  63          1HB       LEU  63  -8.326  -1.244  10.800
  445    HG   LEU  63           HG       LEU  63  -7.150   0.769  11.442
  446   1HD1  LEU  63          1HD1      LEU  63  -6.312  -1.004   9.581
  447   2HD1  LEU  63          2HD1      LEU  63  -5.307   0.280  10.255
  448   3HD1  LEU  63          3HD1      LEU  63  -6.114   0.514   8.704
  449   1HD2  LEU  63          1HD2      LEU  63  -7.787   1.945   8.751
  450   2HD2  LEU  63          2HD2      LEU  63  -7.054   2.732  10.149
  451   3HD2  LEU  63          3HD2      LEU  63  -8.759   2.283  10.184
  452    H    TRP  64           H        TRP  64 -10.829  -2.378   9.010
  453    HA   TRP  64           HA       TRP  64  -9.173  -4.676   8.943
  454   1HB   TRP  64          2HB       TRP  64 -11.385  -5.895   9.058
  455   2HB   TRP  64          1HB       TRP  64 -11.059  -4.795  10.393
  456    HD1  TRP  64           HD       TRP  64 -12.485  -2.457  10.416
  457    HE1  TRP  64           1HE      TRP  64 -14.797  -1.915   9.406
  458    HE3  TRP  64           3HE      TRP  64 -12.905  -6.337   7.155
  459    HZ2  TRP  64           2HZ      TRP  64 -16.560  -2.984   7.518
  460    HZ3  TRP  64           3HZ      TRP  64 -14.940  -6.522   5.775
  461    HH2  TRP  64           HH       TRP  64 -16.727  -4.863   5.962
  462    H    LYS  65           H        LYS  65 -11.839  -3.498   6.882
  463    HA   LYS  65           HA       LYS  65 -11.493  -5.396   4.875
  464   1HB   LYS  65          2HB       LYS  65 -12.574  -3.558   3.389
  465   2HB   LYS  65          1HB       LYS  65 -13.509  -4.245   4.704
  466   1HG   LYS  65          2HG       LYS  65 -12.266  -2.082   5.863
  467   2HG   LYS  65          1HG       LYS  65 -12.654  -1.530   4.236
  468   1HD   LYS  65          2HD       LYS  65 -14.899  -2.961   5.191
  469   2HD   LYS  65          1HD       LYS  65 -14.399  -1.861   6.471
  470   1HE   LYS  65          2HE       LYS  65 -15.569  -0.308   5.371
  471   2HE   LYS  65          1HE       LYS  65 -14.236  -0.295   4.219
  472   1HZ   LYS  65          1HZ       LYS  65 -16.332  -0.571   3.085
  473   2HZ   LYS  65          2HZ       LYS  65 -16.703  -1.935   4.015
  474   3HZ   LYS  65          3HZ       LYS  65 -15.412  -1.982   2.924
  475    H    ARG  66           H        ARG  66  -9.959  -2.306   5.464
  476    HA   ARG  66           HA       ARG  66  -8.538  -2.074   3.056
  477   1HB   ARG  66          2HB       ARG  66  -8.467  -0.903   5.756
  478   2HB   ARG  66          1HB       ARG  66  -6.928  -0.906   4.921
  479   1HG   ARG  66          2HG       ARG  66  -8.431   0.066   2.956
  480   2HG   ARG  66          1HG       ARG  66  -9.414   0.587   4.323
  481   1HD   ARG  66          2HD       ARG  66  -7.546   2.147   3.401
  482   2HD   ARG  66          1HD       ARG  66  -7.775   1.987   5.141
  483    HE   ARG  66           HE       ARG  66  -5.863   0.139   4.050
  484   1HH1  ARG  66          1HH1      ARG  66  -6.327   3.367   5.300
  485   2HH1  ARG  66          2HH1      ARG  66  -4.680   3.544   5.806
  486   1HH2  ARG  66          1HH2      ARG  66  -3.699   0.368   4.729
  487   2HH2  ARG  66          2HH2      ARG  66  -3.187   1.842   5.479
  488    H    ASN  67           H        ASN  67  -7.836  -3.636   6.161
  489    HA   ASN  67           HA       ASN  67  -5.206  -4.396   5.593
  490   1HB   ASN  67          2HB       ASN  67  -7.270  -5.005   7.595
  491   2HB   ASN  67          1HB       ASN  67  -6.097  -6.285   7.340
  492   1HD2  ASN  67          1HD2      ASN  67  -6.570  -4.497   9.632
  493   2HD2  ASN  67          2HD2      ASN  67  -5.054  -3.728   9.939
  494    H    GLU  68           H        GLU  68  -8.311  -6.077   5.196
  495    HA   GLU  68           HA       GLU  68  -7.259  -8.485   4.275
  496   1HB   GLU  68          2HB       GLU  68  -9.951  -7.211   3.877
  497   2HB   GLU  68          1HB       GLU  68  -9.569  -8.828   3.304
  498   1HG   GLU  68          2HG       GLU  68  -8.796  -8.710   6.012
  499   2HG   GLU  68          1HG       GLU  68 -10.400  -7.988   5.895
  500    H    LEU  69           H        LEU  69  -7.677  -5.476   2.756
  501    HA   LEU  69           HA       LEU  69  -7.498  -6.552   0.062
  502   1HB   LEU  69          2HB       LEU  69  -7.731  -3.747   1.143
  503   2HB   LEU  69          1HB       LEU  69  -7.535  -4.102  -0.568
  504    HG   LEU  69           HG       LEU  69  -9.836  -4.988   1.167
  505   1HD1  LEU  69          1HD1      LEU  69 -10.208  -2.730   0.791
  506   2HD1  LEU  69          2HD1      LEU  69 -11.059  -3.492  -0.553
  507   3HD1  LEU  69          3HD1      LEU  69  -9.469  -2.772  -0.810
  508   1HD2  LEU  69          1HD2      LEU  69  -8.818  -6.100  -1.205
  509   2HD2  LEU  69          2HD2      LEU  69 -10.289  -5.230  -1.644
  510   3HD2  LEU  69          3HD2      LEU  69 -10.340  -6.475  -0.396
  511    H    LYS  70           H        LYS  70  -5.638  -4.291   2.079
  512    HA   LYS  70           HA       LYS  70  -3.500  -3.882   0.418
  513   1HB   LYS  70          2HB       LYS  70  -2.574  -2.842   2.197
  514   2HB   LYS  70          1HB       LYS  70  -4.174  -3.046   2.871
  515   1HG   LYS  70          2HG       LYS  70  -3.176  -5.295   3.767
  516   2HG   LYS  70          1HG       LYS  70  -1.643  -4.452   3.539
  517   1HD   LYS  70          2HD       LYS  70  -3.869  -3.066   4.963
  518   2HD   LYS  70          1HD       LYS  70  -2.933  -4.290   5.821
  519   1HE   LYS  70          2HE       LYS  70  -1.099  -2.987   5.937
  520   2HE   LYS  70          1HE       LYS  70  -1.342  -2.327   4.321
  521   1HZ   LYS  70          1HZ       LYS  70  -3.393  -1.289   5.796
  522   2HZ   LYS  70          2HZ       LYS  70  -1.979  -0.477   5.346
  523   3HZ   LYS  70          3HZ       LYS  70  -2.074  -1.234   6.855
  524    H    LYS  71           H        LYS  71  -4.269  -6.683   2.326
  525    HA   LYS  71           HA       LYS  71  -1.727  -7.898   2.142
  526   1HB   LYS  71          2HB       LYS  71  -4.281  -8.553   3.278
  527   2HB   LYS  71          1HB       LYS  71  -3.674  -9.929   2.367
  528   1HG   LYS  71          2HG       LYS  71  -1.684 -10.013   3.675
  529   2HG   LYS  71          1HG       LYS  71  -2.075  -8.484   4.466
  530   1HD   LYS  71          2HD       LYS  71  -3.762 -10.975   4.670
  531   2HD   LYS  71          1HD       LYS  71  -2.538 -10.509   5.853
  532   1HE   LYS  71          2HE       LYS  71  -3.874  -8.980   6.791
  533   2HE   LYS  71          1HE       LYS  71  -4.401  -8.357   5.229
  534   1HZ   LYS  71          1HZ       LYS  71  -6.197  -9.357   6.591
  535   2HZ   LYS  71          2HZ       LYS  71  -5.436 -10.859   6.442
  536   3HZ   LYS  71          3HZ       LYS  71  -6.025 -10.071   5.067
  537    H    LYS  72           H        LYS  72  -4.513  -7.775   0.140
  538    HA   LYS  72           HA       LYS  72  -3.906  -9.869  -1.594
  539   1HB   LYS  72          2HB       LYS  72  -5.363  -7.326  -2.293
  540   2HB   LYS  72          1HB       LYS  72  -5.467  -8.860  -3.146
  541   1HG   LYS  72          2HG       LYS  72  -6.319  -8.495  -0.288
  542   2HG   LYS  72          1HG       LYS  72  -7.408  -8.321  -1.665
  543   1HD   LYS  72          2HD       LYS  72  -7.354 -10.566  -2.164
  544   2HD   LYS  72          1HD       LYS  72  -5.771 -10.801  -1.422
  545   1HE   LYS  72          2HE       LYS  72  -7.352 -11.873  -0.017
  546   2HE   LYS  72          1HE       LYS  72  -6.870 -10.387   0.801
  547   1HZ   LYS  72          1HZ       LYS  72  -9.398 -11.118   0.472
  548   2HZ   LYS  72          2HZ       LYS  72  -9.195 -10.198  -0.933
  549   3HZ   LYS  72          3HZ       LYS  72  -8.914  -9.500   0.582
  550    H    ALA  73           H        ALA  73  -2.891  -6.595  -1.367
  551    HA   ALA  73           HA       ALA  73  -1.359  -6.732  -3.812
  552   1HB   ALA  73          1HB       ALA  73  -1.800  -4.468  -1.882
  553   2HB   ALA  73          2HB       ALA  73  -2.601  -4.703  -3.435
  554   3HB   ALA  73          3HB       ALA  73  -0.874  -4.353  -3.379
  555    H    SER  74           H        SER  74  -0.935  -7.410  -0.526
  556    HA   SER  74           HA       SER  74   0.901  -8.152   0.604
  557   1HB   SER  74          2HB       SER  74   1.739  -8.431  -2.003
  558   2HB   SER  74          1HB       SER  74   2.971  -7.368  -1.323
  559    HG   SER  74           HG       SER  74   2.204  -9.947  -0.446
  560    H    LEU  75           H        LEU  75   0.000  -5.209   0.104
  561    HA   LEU  75           HA       LEU  75   2.348  -3.703   0.816
  562   1HB   LEU  75          2HB       LEU  75  -0.540  -2.829   0.867
  563   2HB   LEU  75          1HB       LEU  75   0.869  -1.789   0.877
  564    HG   LEU  75           HG       LEU  75  -0.288  -3.364  -1.393
  565   1HD1  LEU  75          1HD1      LEU  75  -0.258  -1.290  -2.539
  566   2HD1  LEU  75          2HD1      LEU  75   0.755  -0.545  -1.301
  567   3HD1  LEU  75          3HD1      LEU  75  -0.915  -0.975  -0.932
  568   1HD2  LEU  75          1HD2      LEU  75   1.856  -4.045  -1.756
  569   2HD2  LEU  75          2HD2      LEU  75   2.562  -2.647  -0.944
  570   3HD2  LEU  75          3HD2      LEU  75   1.897  -2.480  -2.568
  571    H    PHE  76           H        PHE  76   0.307  -5.707   2.500
  572    HA   PHE  76           HA       PHE  76  -0.101  -4.326   4.904
  573   1HB   PHE  76          2HB       PHE  76  -1.113  -6.572   4.020
  574   2HB   PHE  76          1HB       PHE  76   0.270  -7.299   4.830
  575    HD1  PHE  76           1HD      PHE  76   0.573  -5.887   7.281
  576    HD2  PHE  76           2HD      PHE  76  -3.021  -6.920   5.244
  577    HE1  PHE  76           1HE      PHE  76  -0.650  -5.833   9.414
  578    HE2  PHE  76           2HE      PHE  76  -4.244  -6.869   7.373
  579    HZ   PHE  76           HZ       PHE  76  -3.064  -6.322   9.461
  Start of MODEL    7
    1    HA   PRO   9           HA       PRO   9   1.546  14.122   7.587
    2   1HB   PRO   9          2HB       PRO   9   1.537  15.948   5.424
    3   2HB   PRO   9          1HB       PRO   9   1.479  16.325   7.151
    4   1HG   PRO   9          2HG       PRO   9   3.808  16.250   5.307
    5   2HG   PRO   9          1HG       PRO   9   3.521  17.283   6.719
    6   1HD   PRO   9          2HD       PRO   9   5.263  15.269   6.844
    7   2HD   PRO   9          1HD       PRO   9   4.204  15.632   8.220
    8    H    GLY  10           H        GLY  10   2.814  14.445   4.264
    9   1HA   GLY  10          2HA       GLY  10   1.057  12.202   3.488
   10   2HA   GLY  10          1HA       GLY  10   1.149  13.670   2.528
   11    H    LEU  11           H        LEU  11   2.267  10.570   2.810
   12    HA   LEU  11           HA       LEU  11   4.943  10.863   1.962
   13   1HB   LEU  11          2HB       LEU  11   3.335   8.424   1.345
   14   2HB   LEU  11          1HB       LEU  11   5.020   8.548   1.813
   15    HG   LEU  11           HG       LEU  11   3.483   9.529   3.988
   16   1HD1  LEU  11          1HD1      LEU  11   1.834   7.907   2.571
   17   2HD1  LEU  11          2HD1      LEU  11   1.750   8.147   4.316
   18   3HD1  LEU  11          3HD1      LEU  11   2.605   6.752   3.657
   19   1HD2  LEU  11          1HD2      LEU  11   5.391   7.361   3.406
   20   2HD2  LEU  11          2HD2      LEU  11   4.371   7.131   4.826
   21   3HD2  LEU  11          3HD2      LEU  11   5.393   8.562   4.696
   22    H    GLN  12           H        GLN  12   5.851  10.557  -0.107
   23    HA   GLN  12           HA       GLN  12   4.281  11.582  -2.231
   24   1HB   GLN  12          2HB       GLN  12   6.383  12.359  -2.524
   25   2HB   GLN  12          1HB       GLN  12   7.105  11.002  -1.680
   26   1HG   GLN  12          2HG       GLN  12   7.950  10.709  -3.762
   27   2HG   GLN  12          1HG       GLN  12   6.505   9.713  -3.868
   28   1HE2  GLN  12          1HE2      GLN  12   5.270  10.031  -5.584
   29   2HE2  GLN  12          2HE2      GLN  12   5.227  11.456  -6.557
   30    H    ILE  13           H        ILE  13   3.606  10.554  -4.107
   31    HA   ILE  13           HA       ILE  13   2.872   7.836  -3.866
   32    HB   ILE  13           HB       ILE  13   2.846   9.634  -6.281
   33   1HG1  ILE  13          2HG1      ILE  13   1.571  10.309  -4.156
   34   2HG1  ILE  13          1HG1      ILE  13   0.685  10.286  -5.673
   35   1HG2  ILE  13          1HG2      ILE  13   1.970   6.846  -5.880
   36   2HG2  ILE  13          2HG2      ILE  13   2.432   7.703  -7.351
   37   3HG2  ILE  13          3HG2      ILE  13   0.818   7.915  -6.681
   38   1HD1  ILE  13          1HD1      ILE  13   0.558   7.749  -4.279
   39   2HD1  ILE  13          2HD1      ILE  13  -0.740   8.756  -4.919
   40   3HD1  ILE  13          3HD1      ILE  13  -0.073   9.087  -3.320
   41    H    TYR  14           H        TYR  14   3.718   6.022  -4.652
   42    HA   TYR  14           HA       TYR  14   6.108   6.186  -6.357
   43   1HB   TYR  14          2HB       TYR  14   5.573   4.179  -4.155
   44   2HB   TYR  14          1HB       TYR  14   6.984   4.204  -5.203
   45    HD1  TYR  14           1HD      TYR  14   7.200   7.329  -5.097
   46    HD2  TYR  14           2HD      TYR  14   6.870   4.300  -2.133
   47    HE1  TYR  14           1HE      TYR  14   8.373   8.780  -3.492
   48    HE2  TYR  14           2HE      TYR  14   8.037   5.739  -0.519
   49    HH   TYR  14           HH       TYR  14   9.561   7.634  -0.507
   50    HA   PRO  15           HA       PRO  15   3.792   3.532  -9.027
   51   1HB   PRO  15          2HB       PRO  15   5.767   2.456 -10.517
   52   2HB   PRO  15          1HB       PRO  15   5.298   4.154 -10.658
   53   1HG   PRO  15          2HG       PRO  15   7.591   2.941  -9.161
   54   2HG   PRO  15          1HG       PRO  15   7.564   4.391 -10.181
   55   1HD   PRO  15          2HD       PRO  15   7.455   4.485  -7.463
   56   2HD   PRO  15          1HD       PRO  15   6.700   5.706  -8.505
   57    H    TYR  16           H        TYR  16   3.963   2.380  -6.548
   58    HA   TYR  16           HA       TYR  16   3.865   0.385  -5.453
   59   1HB   TYR  16          2HB       TYR  16   2.330  -0.083  -7.355
   60   2HB   TYR  16          1HB       TYR  16   3.683  -0.800  -8.217
   61    HD1  TYR  16           1HD      TYR  16   1.714  -1.142  -5.064
   62    HD2  TYR  16           2HD      TYR  16   4.147  -3.080  -7.968
   63    HE1  TYR  16           1HE      TYR  16   1.189  -3.313  -4.042
   64    HE2  TYR  16           2HE      TYR  16   3.630  -5.253  -6.954
   65    HH   TYR  16           HH       TYR  16   2.390  -5.639  -3.959
   66    H    GLU  17           H        GLU  17   5.619  -0.538  -8.334
   67    HA   GLU  17           HA       GLU  17   7.292  -2.423  -7.305
   68   1HB   GLU  17          2HB       GLU  17   8.768  -2.012  -9.199
   69   2HB   GLU  17          1HB       GLU  17   7.084  -1.955  -9.700
   70   1HG   GLU  17          2HG       GLU  17   7.601  -0.043 -10.699
   71   2HG   GLU  17          1HG       GLU  17   7.627   0.665  -9.084
   72    H    MET  18           H        MET  18   7.518   1.014  -6.953
   73    HA   MET  18           HA       MET  18  10.231   1.192  -6.234
   74   1HB   MET  18          2HB       MET  18   7.988   2.948  -6.380
   75   2HB   MET  18          1HB       MET  18   8.756   3.165  -4.814
   76   1HG   MET  18          2HG       MET  18  10.820   3.062  -6.725
   77   2HG   MET  18          1HG       MET  18   9.571   4.119  -7.376
   78   1HE   MET  18          1HE       MET  18   9.411   6.143  -7.162
   79   2HE   MET  18          2HE       MET  18  10.915   6.956  -6.728
   80   3HE   MET  18          3HE       MET  18   9.491   7.129  -5.702
   81    H    LEU  19           H        LEU  19   7.409   0.163  -4.564
   82    HA   LEU  19           HA       LEU  19   8.825   0.081  -1.993
   83   1HB   LEU  19          2HB       LEU  19   5.908  -0.399  -2.567
   84   2HB   LEU  19          1HB       LEU  19   6.647  -0.209  -0.986
   85    HG   LEU  19           HG       LEU  19   7.026   2.069  -2.813
   86   1HD1  LEU  19          1HD1      LEU  19   4.909   2.560  -3.280
   87   2HD1  LEU  19          2HD1      LEU  19   4.410   2.266  -1.616
   88   3HD1  LEU  19          3HD1      LEU  19   4.489   0.930  -2.760
   89   1HD2  LEU  19          1HD2      LEU  19   7.038   1.502  -0.024
   90   2HD2  LEU  19          2HD2      LEU  19   5.829   2.747  -0.337
   91   3HD2  LEU  19          3HD2      LEU  19   7.497   2.989  -0.850
   92    H    VAL  20           H        VAL  20   7.424  -1.850  -4.509
   93    HA   VAL  20           HA       VAL  20   6.963  -4.273  -3.315
   94    HB   VAL  20           HB       VAL  20   8.116  -3.698  -6.043
   95   1HG1  VAL  20          1HG1      VAL  20   7.086  -6.293  -4.913
   96   2HG1  VAL  20          2HG1      VAL  20   8.706  -5.965  -5.525
   97   3HG1  VAL  20          3HG1      VAL  20   7.331  -5.990  -6.631
   98   1HG2  VAL  20          1HG2      VAL  20   5.798  -2.884  -5.325
   99   2HG2  VAL  20          2HG2      VAL  20   5.336  -4.585  -5.369
  100   3HG2  VAL  20          3HG2      VAL  20   5.921  -3.792  -6.832
  101    H    VAL  21           H        VAL  21   8.197  -5.435  -2.025
  102    HA   VAL  21           HA       VAL  21  11.059  -5.579  -2.570
  103    HB   VAL  21           HB       VAL  21   9.645  -5.886   0.076
  104   1HG1  VAL  21          1HG1      VAL  21  12.231  -6.812  -0.803
  105   2HG1  VAL  21          2HG1      VAL  21  11.403  -7.085   0.729
  106   3HG1  VAL  21          3HG1      VAL  21  12.391  -5.642   0.506
  107   1HG2  VAL  21          1HG2      VAL  21  10.326  -3.576  -1.215
  108   2HG2  VAL  21          2HG2      VAL  21  11.728  -3.858  -0.188
  109   3HG2  VAL  21          3HG2      VAL  21  10.119  -3.748   0.526
  110    H    THR  22           H        THR  22  11.585  -7.436  -3.483
  111    HA   THR  22           HA       THR  22  10.004  -9.706  -3.635
  112    HB   THR  22           HB       THR  22  12.739 -10.447  -3.846
  113    HG1  THR  22           1HG      THR  22  12.141  -8.084  -5.272
  114   1HG2  THR  22          1HG2      THR  22  10.394 -10.570  -5.409
  115   2HG2  THR  22          2HG2      THR  22  11.921 -11.423  -5.642
  116   3HG2  THR  22          3HG2      THR  22  11.667  -9.847  -6.391
  117    H    ASN  23           H        ASN  23  11.693 -11.856  -2.991
  118    HA   ASN  23           HA       ASN  23  10.913 -12.610  -0.503
  119   1HB   ASN  23          2HB       ASN  23  13.553 -13.345  -1.784
  120   2HB   ASN  23          1HB       ASN  23  12.724 -14.255  -0.525
  121   1HD2  ASN  23          1HD2      ASN  23  12.612 -16.087  -1.817
  122   2HD2  ASN  23          2HD2      ASN  23  11.515 -16.208  -3.146
  123    H    LYS  24           H        LYS  24  12.248 -13.007   1.473
  124    HA   LYS  24           HA       LYS  24  12.978 -10.682   2.721
  125   1HB   LYS  24          2HB       LYS  24  14.088 -13.423   3.333
  126   2HB   LYS  24          1HB       LYS  24  14.022 -12.058   4.439
  127   1HG   LYS  24          2HG       LYS  24  11.685 -13.573   3.300
  128   2HG   LYS  24          1HG       LYS  24  12.260 -13.597   4.967
  129   1HD   LYS  24          2HD       LYS  24  11.858 -10.905   4.421
  130   2HD   LYS  24          1HD       LYS  24  10.500 -11.714   3.636
  131   1HE   LYS  24          2HE       LYS  24   9.626 -12.457   5.605
  132   2HE   LYS  24          1HE       LYS  24  11.202 -12.573   6.386
  133   1HZ   LYS  24          1HZ       LYS  24   9.697 -10.771   7.226
  134   2HZ   LYS  24          2HZ       LYS  24   9.915  -9.982   5.747
  135   3HZ   LYS  24          3HZ       LYS  24  11.241 -10.259   6.758
  136    H    GLY  25           H        GLY  25  14.792  -9.479   2.967
  137   1HA   GLY  25          2HA       GLY  25  17.387 -10.445   2.181
  138   2HA   GLY  25          1HA       GLY  25  16.716  -9.279   1.051
  139    H    ARG  26           H        ARG  26  16.024  -9.103   4.461
  140    HA   ARG  26           HA       ARG  26  16.291  -7.364   5.917
  141   1HB   ARG  26          2HB       ARG  26  19.041  -8.133   5.022
  142   2HB   ARG  26          1HB       ARG  26  18.828  -6.842   6.198
  143   1HG   ARG  26          2HG       ARG  26  18.036  -9.731   6.466
  144   2HG   ARG  26          1HG       ARG  26  19.249  -8.849   7.395
  145   1HD   ARG  26          2HD       ARG  26  17.336  -7.355   8.166
  146   2HD   ARG  26          1HD       ARG  26  16.257  -8.577   7.494
  147    HE   ARG  26           HE       ARG  26  18.163  -9.733   9.259
  148   1HH1  ARG  26          1HH1      ARG  26  15.188  -7.911   9.196
  149   2HH1  ARG  26          2HH1      ARG  26  14.657  -8.485  10.740
  150   1HH2  ARG  26          1HH2      ARG  26  17.466 -10.490  11.291
  151   2HH2  ARG  26          2HH2      ARG  26  15.951  -9.947  11.932
  152    H    THR  27           H        THR  27  15.690  -6.511   3.200
  153    HA   THR  27           HA       THR  27  17.278  -4.175   2.720
  154    HB   THR  27           HB       THR  27  16.600  -4.875   0.685
  155    HG1  THR  27           1HG      THR  27  15.753  -2.808   0.847
  156   1HG2  THR  27          1HG2      THR  27  14.353  -5.801   0.157
  157   2HG2  THR  27          2HG2      THR  27  13.996  -5.772   1.883
  158   3HG2  THR  27          3HG2      THR  27  15.303  -6.785   1.270
  159    H    LYS  28           H        LYS  28  16.317  -2.050   2.464
  160    HA   LYS  28           HA       LYS  28  14.309  -1.540   4.563
  161   1HB   LYS  28          2HB       LYS  28  16.648   0.111   3.621
  162   2HB   LYS  28          1HB       LYS  28  15.356   0.783   4.608
  163   1HG   LYS  28          2HG       LYS  28  16.849  -1.655   5.491
  164   2HG   LYS  28          1HG       LYS  28  17.501  -0.038   5.761
  165   1HD   LYS  28          2HD       LYS  28  15.051   0.376   6.699
  166   2HD   LYS  28          1HD       LYS  28  15.131  -1.366   6.968
  167   1HE   LYS  28          2HE       LYS  28  16.303  -1.004   8.818
  168   2HE   LYS  28          1HE       LYS  28  17.584  -0.281   7.847
  169   1HZ   LYS  28          1HZ       LYS  28  15.228   1.198   8.885
  170   2HZ   LYS  28          2HZ       LYS  28  16.559   1.858   8.077
  171   3HZ   LYS  28          3HZ       LYS  28  16.753   1.189   9.619
  172    H    LEU  29           H        LEU  29  12.664  -0.054   4.176
  173    HA   LEU  29           HA       LEU  29  11.875   0.186   1.441
  174   1HB   LEU  29          2HB       LEU  29  10.638   0.765   4.082
  175   2HB   LEU  29          1HB       LEU  29   9.974   1.569   2.668
  176    HG   LEU  29           HG       LEU  29  10.132  -1.404   3.161
  177   1HD1  LEU  29          1HD1      LEU  29   8.044   0.665   3.373
  178   2HD1  LEU  29          2HD1      LEU  29   8.231  -0.859   4.244
  179   3HD1  LEU  29          3HD1      LEU  29   7.561  -0.851   2.613
  180   1HD2  LEU  29          1HD2      LEU  29   8.826  -1.492   0.982
  181   2HD2  LEU  29          2HD2      LEU  29  10.557  -1.181   0.858
  182   3HD2  LEU  29          3HD2      LEU  29   9.407   0.146   0.691
  183    HA   PRO  30           HA       PRO  30  12.969   4.277   0.243
  184   1HB   PRO  30          2HB       PRO  30  10.083   5.044   0.363
  185   2HB   PRO  30          1HB       PRO  30  11.257   5.286  -0.937
  186   1HG   PRO  30          2HG       PRO  30   9.434   3.364  -1.118
  187   2HG   PRO  30          1HG       PRO  30  11.096   3.086  -1.668
  188   1HD   PRO  30          2HD       PRO  30   9.729   2.125   0.801
  189   2HD   PRO  30          1HD       PRO  30  10.961   1.323  -0.194
  190    HA   PRO  31           HA       PRO  31  13.376   6.640   3.966
  191   1HB   PRO  31          2HB       PRO  31  13.442   9.014   2.181
  192   2HB   PRO  31          1HB       PRO  31  14.616   8.480   3.389
  193   1HG   PRO  31          2HG       PRO  31  15.110   8.191   0.786
  194   2HG   PRO  31          1HG       PRO  31  15.596   6.947   1.954
  195   1HD   PRO  31          2HD       PRO  31  13.292   6.967   0.049
  196   2HD   PRO  31          1HD       PRO  31  14.344   5.622   0.535
  197    H    GLY  32           H        GLY  32  11.181   6.286   4.669
  198   1HA   GLY  32          2HA       GLY  32   9.532   7.712   5.748
  199   2HA   GLY  32          1HA       GLY  32   9.500   8.682   4.285
  200    H    VAL  33           H        VAL  33   9.001   5.268   5.197
  201    HA   VAL  33           HA       VAL  33   6.559   5.301   3.642
  202    HB   VAL  33           HB       VAL  33   8.557   3.099   3.739
  203   1HG1  VAL  33          1HG1      VAL  33   5.755   3.169   2.719
  204   2HG1  VAL  33          2HG1      VAL  33   6.542   1.941   3.708
  205   3HG1  VAL  33          3HG1      VAL  33   6.946   2.088   1.999
  206   1HG2  VAL  33          1HG2      VAL  33   8.098   5.291   1.968
  207   2HG2  VAL  33          2HG2      VAL  33   7.940   3.759   1.110
  208   3HG2  VAL  33          3HG2      VAL  33   9.427   4.135   1.984
  209    H    ASP  34           H        ASP  34   4.902   3.977   4.269
  210    HA   ASP  34           HA       ASP  34   4.987   3.291   7.113
  211   1HB   ASP  34          2HB       ASP  34   3.316   4.943   5.713
  212   2HB   ASP  34          1HB       ASP  34   2.376   3.450   5.773
  213    H    ARG  35           H        ARG  35   5.633   1.173   7.110
  214    HA   ARG  35           HA       ARG  35   5.015  -0.818   5.300
  215   1HB   ARG  35          2HB       ARG  35   5.543  -2.417   7.070
  216   2HB   ARG  35          1HB       ARG  35   6.682  -1.079   7.076
  217   1HG   ARG  35          2HG       ARG  35   6.271  -0.800   9.230
  218   2HG   ARG  35          1HG       ARG  35   4.620  -0.333   8.820
  219   1HD   ARG  35          2HD       ARG  35   3.779  -2.252   9.598
  220   2HD   ARG  35          1HD       ARG  35   5.009  -3.216   8.783
  221    HE   ARG  35           HE       ARG  35   5.975  -1.850  11.120
  222   1HH1  ARG  35          1HH1      ARG  35   4.387  -4.727   9.940
  223   2HH1  ARG  35          2HH1      ARG  35   4.862  -5.695  11.296
  224   1HH2  ARG  35          1HH2      ARG  35   6.601  -3.123  12.902
  225   2HH2  ARG  35          2HH2      ARG  35   6.118  -4.785  12.977
  226    H    MET  36           H        MET  36   3.065   0.483   7.883
  227    HA   MET  36           HA       MET  36   1.017  -1.524   7.437
  228   1HB   MET  36          2HB       MET  36   1.777   0.203   9.679
  229   2HB   MET  36          1HB       MET  36   0.043   0.075   9.424
  230   1HG   MET  36          2HG       MET  36   0.735  -2.518   9.261
  231   2HG   MET  36          1HG       MET  36   1.974  -1.931  10.368
  232   1HE   MET  36          1HE       MET  36   0.853   0.299  11.715
  233   2HE   MET  36          2HE       MET  36   1.100  -0.816  13.060
  234   3HE   MET  36          3HE       MET  36  -0.452  -0.001  12.864
  235    H    ARG  37           H        ARG  37   1.801   1.111   5.882
  236    HA   ARG  37           HA       ARG  37  -0.909   1.696   5.091
  237   1HB   ARG  37          2HB       ARG  37   0.275   3.314   7.059
  238   2HB   ARG  37          1HB       ARG  37   0.387   4.239   5.569
  239   1HG   ARG  37          2HG       ARG  37  -1.641   4.868   6.570
  240   2HG   ARG  37          1HG       ARG  37  -2.078   3.779   5.251
  241   1HD   ARG  37          2HD       ARG  37  -2.582   2.026   6.704
  242   2HD   ARG  37          1HD       ARG  37  -1.676   2.745   8.035
  243    HE   ARG  37           HE       ARG  37  -4.403   3.286   7.295
  244   1HH1  ARG  37          1HH1      ARG  37  -1.580   4.519   8.937
  245   2HH1  ARG  37          2HH1      ARG  37  -2.486   5.592   9.951
  246   1HH2  ARG  37          1HH2      ARG  37  -5.595   4.695   8.627
  247   2HH2  ARG  37          2HH2      ARG  37  -4.765   5.692   9.774
  248    H    LEU  38           H        LEU  38   0.975   0.465   3.647
  249    HA   LEU  38           HA       LEU  38   2.654   2.113   2.122
  250   1HB   LEU  38          2HB       LEU  38   1.841  -0.653   2.210
  251   2HB   LEU  38          1HB       LEU  38   1.944  -0.102   0.556
  252    HG   LEU  38           HG       LEU  38   4.058  -0.953   0.900
  253   1HD1  LEU  38          1HD1      LEU  38   4.294   1.914   1.776
  254   2HD1  LEU  38          2HD1      LEU  38   4.283   1.327   0.114
  255   3HD1  LEU  38          3HD1      LEU  38   5.620   0.913   1.187
  256   1HD2  LEU  38          1HD2      LEU  38   3.501  -0.289   3.693
  257   2HD2  LEU  38          2HD2      LEU  38   5.187  -0.075   3.219
  258   3HD2  LEU  38          3HD2      LEU  38   4.402  -1.639   3.002
  259    H    GLU  39           H        GLU  39  -0.663   1.297   1.882
  260    HA   GLU  39           HA       GLU  39  -1.239   1.790  -0.778
  261   1HB   GLU  39          2HB       GLU  39  -2.794   1.982   1.749
  262   2HB   GLU  39          1HB       GLU  39  -3.487   2.714   0.308
  263   1HG   GLU  39          2HG       GLU  39  -4.371   0.616   0.183
  264   2HG   GLU  39          1HG       GLU  39  -2.907   0.408  -0.775
  265    H    ARG  40           H        ARG  40  -0.438   4.025   1.741
  266    HA   ARG  40           HA       ARG  40  -1.443   6.348   0.481
  267   1HB   ARG  40          2HB       ARG  40   0.727   6.088   2.561
  268   2HB   ARG  40          1HB       ARG  40  -0.083   7.583   2.112
  269   1HG   ARG  40          2HG       ARG  40  -1.920   5.458   2.897
  270   2HG   ARG  40          1HG       ARG  40  -0.797   5.936   4.173
  271   1HD   ARG  40          2HD       ARG  40  -2.345   7.521   4.579
  272   2HD   ARG  40          1HD       ARG  40  -1.539   8.359   3.252
  273    HE   ARG  40           HE       ARG  40  -3.521   6.722   2.164
  274   1HH1  ARG  40          1HH1      ARG  40  -3.266   9.546   4.198
  275   2HH1  ARG  40          2HH1      ARG  40  -4.795  10.194   3.702
  276   1HH2  ARG  40          1HH2      ARG  40  -5.530   7.573   1.510
  277   2HH2  ARG  40          2HH2      ARG  40  -6.080   9.074   2.178
  278    H    HIS  41           H        HIS  41   1.020   4.334  -0.384
  279    HA   HIS  41           HA       HIS  41   2.638   6.459  -1.594
  280   1HB   HIS  41          2HB       HIS  41   3.194   3.544  -1.062
  281   2HB   HIS  41          1HB       HIS  41   4.250   4.552  -2.044
  282    HD1  HIS  41           1HD      HIS  41   5.535   6.471  -0.788
  283    HD2  HIS  41           2HD      HIS  41   3.437   3.864   1.663
  284    HE1  HIS  41           1HE      HIS  41   6.411   6.875   1.535
  285    HE2  HIS  41           2HE      HIS  41   4.928   5.475   3.011
  286    H    LEU  42           H        LEU  42   0.727   3.588  -2.342
  287    HA   LEU  42           HA       LEU  42   1.338   3.248  -5.010
  288   1HB   LEU  42          2HB       LEU  42  -0.873   2.605  -3.199
  289   2HB   LEU  42          1HB       LEU  42  -1.330   2.709  -4.877
  290    HG   LEU  42           HG       LEU  42   0.467   0.743  -3.535
  291   1HD1  LEU  42          1HD1      LEU  42  -1.951   0.771  -5.267
  292   2HD1  LEU  42          2HD1      LEU  42  -1.652  -0.114  -3.765
  293   3HD1  LEU  42          3HD1      LEU  42  -0.907  -0.654  -5.272
  294   1HD2  LEU  42          1HD2      LEU  42   0.846   1.887  -6.220
  295   2HD2  LEU  42          2HD2      LEU  42   0.770   0.128  -6.168
  296   3HD2  LEU  42          3HD2      LEU  42   1.970   0.987  -5.203
  297    H    SER  43           H        SER  43   0.750   4.193  -6.864
  298    HA   SER  43           HA       SER  43  -0.439   6.796  -6.759
  299   1HB   SER  43          2HB       SER  43   1.147   5.377  -8.609
  300   2HB   SER  43          1HB       SER  43  -0.372   5.777  -9.413
  301    HG   SER  43           HG       SER  43   0.007   7.969  -8.624
  302    H    ALA  44           H        ALA  44  -2.312   7.340  -8.107
  303    HA   ALA  44           HA       ALA  44  -4.536   5.804  -7.398
  304   1HB   ALA  44          1HB       ALA  44  -4.379   7.769  -9.675
  305   2HB   ALA  44          2HB       ALA  44  -4.588   8.227  -7.983
  306   3HB   ALA  44          3HB       ALA  44  -5.831   7.278  -8.802
  307    H    GLU  45           H        GLU  45  -2.500   5.770 -10.206
  308    HA   GLU  45           HA       GLU  45  -4.163   4.121 -11.774
  309   1HB   GLU  45          2HB       GLU  45  -1.324   5.053 -11.976
  310   2HB   GLU  45          1HB       GLU  45  -1.921   3.796 -13.052
  311   1HG   GLU  45          2HG       GLU  45  -3.773   5.396 -13.682
  312   2HG   GLU  45          1HG       GLU  45  -2.862   6.637 -12.823
  313    H    ASP  46           H        ASP  46  -1.914   3.626  -9.222
  314    HA   ASP  46           HA       ASP  46  -1.560   0.865  -9.914
  315   1HB   ASP  46          2HB       ASP  46  -0.368   2.540  -7.718
  316   2HB   ASP  46          1HB       ASP  46  -0.132   0.793  -7.818
  317    H    PHE  47           H        PHE  47  -2.973   2.794  -7.265
  318    HA   PHE  47           HA       PHE  47  -3.794   0.597  -5.743
  319   1HB   PHE  47          2HB       PHE  47  -3.889   2.875  -4.852
  320   2HB   PHE  47          1HB       PHE  47  -5.148   3.280  -6.019
  321    HD1  PHE  47           1HD      PHE  47  -4.466   2.060  -2.764
  322    HD2  PHE  47           2HD      PHE  47  -7.300   1.879  -5.933
  323    HE1  PHE  47           1HE      PHE  47  -6.175   1.254  -1.191
  324    HE2  PHE  47           2HE      PHE  47  -9.008   1.080  -4.368
  325    HZ   PHE  47           HZ       PHE  47  -8.454   0.767  -1.998
  326    H    SER  48           H        SER  48  -5.523   2.450  -8.113
  327    HA   SER  48           HA       SER  48  -7.882   1.041  -8.196
  328   1HB   SER  48          2HB       SER  48  -7.266   3.239  -9.380
  329   2HB   SER  48          1HB       SER  48  -6.678   2.206 -10.682
  330    HG   SER  48           HG       SER  48  -8.850   1.230 -10.594
  331    H    ARG  49           H        ARG  49  -4.853   0.284  -9.672
  332    HA   ARG  49           HA       ARG  49  -5.999  -1.936 -11.090
  333   1HB   ARG  49          2HB       ARG  49  -3.554  -0.367 -11.334
  334   2HB   ARG  49          1HB       ARG  49  -3.310  -2.092 -11.568
  335   1HG   ARG  49          2HG       ARG  49  -4.553  -2.153 -13.483
  336   2HG   ARG  49          1HG       ARG  49  -5.552  -0.779 -13.009
  337   1HD   ARG  49          2HD       ARG  49  -4.149  -0.080 -14.811
  338   2HD   ARG  49          1HD       ARG  49  -3.563   0.688 -13.338
  339    HE   ARG  49           HE       ARG  49  -2.084  -1.598 -13.557
  340   1HH1  ARG  49          1HH1      ARG  49  -2.686   1.154 -15.618
  341   2HH1  ARG  49          2HH1      ARG  49  -1.138   1.072 -16.390
  342   1HH2  ARG  49          1HH2      ARG  49  -0.048  -1.707 -14.571
  343   2HH2  ARG  49          2HH2      ARG  49   0.360  -0.553 -15.797
  344    H    VAL  50           H        VAL  50  -4.309  -1.263  -8.258
  345    HA   VAL  50           HA       VAL  50  -3.219  -3.864  -7.856
  346    HB   VAL  50           HB       VAL  50  -3.253  -1.330  -6.295
  347   1HG1  VAL  50          1HG1      VAL  50  -1.875  -3.663  -5.117
  348   2HG1  VAL  50          2HG1      VAL  50  -3.603  -3.516  -4.828
  349   3HG1  VAL  50          3HG1      VAL  50  -2.510  -2.226  -4.335
  350   1HG2  VAL  50          1HG2      VAL  50  -1.267  -1.142  -7.186
  351   2HG2  VAL  50          2HG2      VAL  50  -1.513  -2.631  -8.077
  352   3HG2  VAL  50          3HG2      VAL  50  -0.744  -2.661  -6.489
  353    H    PHE  51           H        PHE  51  -5.842  -1.946  -6.423
  354    HA   PHE  51           HA       PHE  51  -6.772  -4.372  -5.075
  355   1HB   PHE  51          2HB       PHE  51  -7.443  -1.492  -4.451
  356   2HB   PHE  51          1HB       PHE  51  -7.937  -2.901  -3.516
  357    HD1  PHE  51           1HD      PHE  51  -6.131  -4.328  -2.468
  358    HD2  PHE  51           2HD      PHE  51  -5.394  -0.437  -4.035
  359    HE1  PHE  51           1HE      PHE  51  -4.056  -4.196  -1.159
  360    HE2  PHE  51           2HE      PHE  51  -3.327  -0.292  -2.708
  361    HZ   PHE  51           HZ       PHE  51  -2.644  -2.181  -1.277
  362    H    ALA  52           H        ALA  52  -7.361  -2.800  -7.843
  363    HA   ALA  52           HA       ALA  52  -9.109  -2.578  -9.273
  364   1HB   ALA  52          1HB       ALA  52  -8.958  -5.106  -8.417
  365   2HB   ALA  52          2HB       ALA  52 -10.104  -4.560  -9.646
  366   3HB   ALA  52          3HB       ALA  52 -10.624  -4.735  -7.967
  367    H    MET  53           H        MET  53  -9.233  -0.864  -7.096
  368    HA   MET  53           HA       MET  53 -12.050  -0.307  -7.048
  369   1HB   MET  53          2HB       MET  53 -12.333  -1.301  -5.054
  370   2HB   MET  53          1HB       MET  53 -10.611  -1.392  -4.753
  371   1HG   MET  53          2HG       MET  53 -10.789   1.081  -4.119
  372   2HG   MET  53          1HG       MET  53 -12.526   0.802  -4.081
  373   1HE   MET  53          1HE       MET  53  -9.254  -0.829  -3.174
  374   2HE   MET  53          2HE       MET  53 -10.137  -2.291  -2.740
  375   3HE   MET  53          3HE       MET  53  -9.403  -1.298  -1.482
  376    H    SER  54           H        SER  54 -12.315   1.920  -5.683
  377    HA   SER  54           HA       SER  54 -10.498   3.696  -7.016
  378   1HB   SER  54          2HB       SER  54 -11.948   5.477  -6.273
  379   2HB   SER  54          1HB       SER  54 -12.943   4.149  -6.870
  380    HG   SER  54           HG       SER  54 -13.841   4.691  -4.963
  381    HA   PRO  55           HA       PRO  55  -7.431   4.118  -3.858
  382   1HB   PRO  55          2HB       PRO  55  -7.144   6.903  -4.327
  383   2HB   PRO  55          1HB       PRO  55  -6.139   5.610  -4.984
  384   1HG   PRO  55          2HG       PRO  55  -8.449   7.024  -6.221
  385   2HG   PRO  55          1HG       PRO  55  -7.000   6.351  -6.989
  386   1HD   PRO  55          2HD       PRO  55  -9.352   5.142  -7.207
  387   2HD   PRO  55          1HD       PRO  55  -7.866   4.192  -6.981
  388    H    GLU  56           H        GLU  56  -9.996   6.406  -4.291
  389    HA   GLU  56           HA       GLU  56 -10.022   7.503  -1.726
  390   1HB   GLU  56          2HB       GLU  56 -12.380   8.148  -2.473
  391   2HB   GLU  56          1HB       GLU  56 -11.034   8.818  -3.368
  392   1HG   GLU  56          2HG       GLU  56 -11.394   7.228  -5.140
  393   2HG   GLU  56          1HG       GLU  56 -12.643   6.417  -4.195
  394    H    GLU  57           H        GLU  57 -11.832   4.907  -3.304
  395    HA   GLU  57           HA       GLU  57 -13.711   4.313  -1.473
  396   1HB   GLU  57          2HB       GLU  57 -12.217   2.780  -3.448
  397   2HB   GLU  57          1HB       GLU  57 -12.865   1.824  -2.140
  398   1HG   GLU  57          2HG       GLU  57 -14.698   3.748  -3.418
  399   2HG   GLU  57          1HG       GLU  57 -14.219   2.339  -4.365
  400    H    PHE  58           H        PHE  58 -10.377   3.575  -1.435
  401    HA   PHE  58           HA       PHE  58 -10.285   2.056   0.932
  402   1HB   PHE  58          2HB       PHE  58  -8.479   2.701  -1.047
  403   2HB   PHE  58          1HB       PHE  58  -7.860   3.577   0.348
  404    HD1  PHE  58           1HD      PHE  58  -6.239   2.462   1.523
  405    HD2  PHE  58           2HD      PHE  58  -9.347   0.229  -0.303
  406    HE1  PHE  58           1HE      PHE  58  -5.247   0.395   2.381
  407    HE2  PHE  58           2HE      PHE  58  -8.359  -1.850   0.548
  408    HZ   PHE  58           HZ       PHE  58  -6.310  -1.758   1.890
  409    H    GLY  59           H        GLY  59  -9.709   5.478   0.201
  410   1HA   GLY  59          2HA       GLY  59  -8.927   6.319   2.745
  411   2HA   GLY  59          1HA       GLY  59  -9.758   7.326   1.569
  412    H    LYS  60           H        LYS  60 -12.022   5.230   1.710
  413    HA   LYS  60           HA       LYS  60 -13.277   6.396   4.024
  414   1HB   LYS  60          2HB       LYS  60 -14.521   6.997   2.143
  415   2HB   LYS  60          1HB       LYS  60 -14.353   5.403   1.427
  416   1HG   LYS  60          2HG       LYS  60 -15.833   5.600   3.988
  417   2HG   LYS  60          1HG       LYS  60 -16.609   6.241   2.541
  418   1HD   LYS  60          2HD       LYS  60 -15.574   3.434   2.944
  419   2HD   LYS  60          1HD       LYS  60 -17.263   3.934   2.860
  420   1HE   LYS  60          2HE       LYS  60 -16.622   4.860   0.530
  421   2HE   LYS  60          1HE       LYS  60 -15.216   3.804   0.677
  422   1HZ   LYS  60          1HZ       LYS  60 -17.514   3.011  -0.365
  423   2HZ   LYS  60          2HZ       LYS  60 -17.807   2.607   1.251
  424   3HZ   LYS  60          3HZ       LYS  60 -16.468   1.957   0.448
  425    H    LEU  61           H        LEU  61 -12.282   3.405   2.726
  426    HA   LEU  61           HA       LEU  61 -13.984   1.597   3.939
  427   1HB   LEU  61          2HB       LEU  61 -11.064   1.438   3.275
  428   2HB   LEU  61          1HB       LEU  61 -11.920   0.084   3.966
  429    HG   LEU  61           HG       LEU  61 -12.808   1.390   1.412
  430   1HD1  LEU  61          1HD1      LEU  61 -11.386  -1.145   1.198
  431   2HD1  LEU  61          2HD1      LEU  61 -10.376   0.199   1.714
  432   3HD1  LEU  61          3HD1      LEU  61 -11.278   0.304   0.206
  433   1HD2  LEU  61          1HD2      LEU  61 -13.337  -1.287   2.682
  434   2HD2  LEU  61          2HD2      LEU  61 -13.843  -0.835   1.056
  435   3HD2  LEU  61          3HD2      LEU  61 -14.489   0.027   2.453
  436    H    ALA  62           H        ALA  62 -12.779  -0.068   5.595
  437    HA   ALA  62           HA       ALA  62 -12.425   1.490   8.056
  438   1HB   ALA  62          1HB       ALA  62 -12.895  -1.486   7.831
  439   2HB   ALA  62          2HB       ALA  62 -14.205  -0.299   7.892
  440   3HB   ALA  62          3HB       ALA  62 -13.093  -0.450   9.251
  441    H    LEU  63           H        LEU  63 -11.102  -0.362   9.601
  442    HA   LEU  63           HA       LEU  63  -8.439  -0.215   8.455
  443   1HB   LEU  63          2HB       LEU  63  -9.414   0.162  11.014
  444   2HB   LEU  63          1HB       LEU  63  -8.634  -1.405  11.104
  445    HG   LEU  63           HG       LEU  63  -7.111   0.374  11.777
  446   1HD1  LEU  63          1HD1      LEU  63  -6.525  -1.700  10.167
  447   2HD1  LEU  63          2HD1      LEU  63  -5.319  -0.583  10.805
  448   3HD1  LEU  63          3HD1      LEU  63  -5.950  -0.362   9.172
  449   1HD2  LEU  63          1HD2      LEU  63  -6.327   1.748   9.599
  450   2HD2  LEU  63          2HD2      LEU  63  -7.525   2.340  10.751
  451   3HD2  LEU  63          3HD2      LEU  63  -8.048   1.572   9.251
  452    H    TRP  64           H        TRP  64 -10.855  -2.489   9.206
  453    HA   TRP  64           HA       TRP  64  -9.193  -4.777   9.086
  454   1HB   TRP  64          2HB       TRP  64 -11.406  -6.004   9.125
  455   2HB   TRP  64          1HB       TRP  64 -11.101  -4.946  10.499
  456    HD1  TRP  64           HD       TRP  64 -12.528  -2.606  10.568
  457    HE1  TRP  64           1HE      TRP  64 -14.825  -2.035   9.539
  458    HE3  TRP  64           3HE      TRP  64 -12.898  -6.391   7.193
  459    HZ2  TRP  64           2HZ      TRP  64 -16.561  -3.051   7.596
  460    HZ3  TRP  64           3HZ      TRP  64 -14.913  -6.539   5.780
  461    HH2  TRP  64           HH       TRP  64 -16.703  -4.887   5.986
  462    H    LYS  65           H        LYS  65 -11.838  -3.575   7.015
  463    HA   LYS  65           HA       LYS  65 -11.452  -5.409   4.961
  464   1HB   LYS  65          2HB       LYS  65 -12.517  -3.531   3.515
  465   2HB   LYS  65          1HB       LYS  65 -13.467  -4.255   4.799
  466   1HG   LYS  65          2HG       LYS  65 -12.254  -2.133   6.045
  467   2HG   LYS  65          1HG       LYS  65 -12.587  -1.528   4.426
  468   1HD   LYS  65          2HD       LYS  65 -14.863  -2.986   5.304
  469   2HD   LYS  65          1HD       LYS  65 -14.399  -1.874   6.589
  470   1HE   LYS  65          2HE       LYS  65 -14.183  -0.276   4.407
  471   2HE   LYS  65          1HE       LYS  65 -15.500  -1.337   3.917
  472   1HZ   LYS  65          1HZ       LYS  65 -16.550   0.405   5.006
  473   2HZ   LYS  65          2HZ       LYS  65 -15.379   0.503   6.223
  474   3HZ   LYS  65          3HZ       LYS  65 -16.469  -0.790   6.202
  475    H    ARG  66           H        ARG  66  -9.944  -2.334   5.657
  476    HA   ARG  66           HA       ARG  66  -8.488  -2.012   3.283
  477   1HB   ARG  66          2HB       ARG  66  -8.468  -0.938   6.023
  478   2HB   ARG  66          1HB       ARG  66  -6.910  -0.904   5.224
  479   1HG   ARG  66          2HG       ARG  66  -8.389   0.126   3.261
  480   2HG   ARG  66          1HG       ARG  66  -9.384   0.608   4.636
  481   1HD   ARG  66          2HD       ARG  66  -7.625   2.269   3.894
  482   2HD   ARG  66          1HD       ARG  66  -7.619   1.842   5.606
  483    HE   ARG  66           HE       ARG  66  -5.872   0.128   4.249
  484   1HH1  ARG  66          1HH1      ARG  66  -6.133   3.492   5.143
  485   2HH1  ARG  66          2HH1      ARG  66  -4.420   3.738   5.206
  486   1HH2  ARG  66          1HH2      ARG  66  -3.618   0.451   4.330
  487   2HH2  ARG  66          2HH2      ARG  66  -2.992   2.012   4.745
  488    H    ASN  67           H        ASN  67  -7.819  -3.695   6.338
  489    HA   ASN  67           HA       ASN  67  -5.177  -4.412   5.762
  490   1HB   ASN  67          2HB       ASN  67  -7.245  -5.107   7.734
  491   2HB   ASN  67          1HB       ASN  67  -6.037  -6.349   7.457
  492   1HD2  ASN  67          1HD2      ASN  67  -6.669  -4.387   9.693
  493   2HD2  ASN  67          2HD2      ASN  67  -5.138  -3.680  10.065
  494    H    GLU  68           H        GLU  68  -8.266  -6.105   5.262
  495    HA   GLU  68           HA       GLU  68  -7.158  -8.476   4.295
  496   1HB   GLU  68          2HB       GLU  68  -9.859  -7.363   3.579
  497   2HB   GLU  68          1HB       GLU  68  -9.370  -9.052   3.551
  498   1HG   GLU  68          2HG       GLU  68  -8.894  -8.125   6.162
  499   2HG   GLU  68          1HG       GLU  68 -10.482  -7.523   5.692
  500    H    LEU  69           H        LEU  69  -7.871  -5.469   2.825
  501    HA   LEU  69           HA       LEU  69  -7.600  -6.397   0.114
  502   1HB   LEU  69          2HB       LEU  69  -7.933  -3.701   1.401
  503   2HB   LEU  69          1HB       LEU  69  -7.617  -3.867  -0.323
  504    HG   LEU  69           HG       LEU  69  -9.890  -5.323   0.971
  505   1HD1  LEU  69          1HD1      LEU  69 -10.104  -2.583  -0.253
  506   2HD1  LEU  69          2HD1      LEU  69 -10.043  -2.872   1.485
  507   3HD1  LEU  69          3HD1      LEU  69 -11.376  -3.519   0.529
  508   1HD2  LEU  69          1HD2      LEU  69  -8.767  -5.326  -1.551
  509   2HD2  LEU  69          2HD2      LEU  69 -10.205  -4.315  -1.724
  510   3HD2  LEU  69          3HD2      LEU  69 -10.352  -5.963  -1.107
  511    H    LYS  70           H        LYS  70  -5.734  -4.232   2.211
  512    HA   LYS  70           HA       LYS  70  -3.607  -3.738   0.536
  513   1HB   LYS  70          2HB       LYS  70  -2.742  -2.684   2.328
  514   2HB   LYS  70          1HB       LYS  70  -4.284  -3.034   3.069
  515   1HG   LYS  70          2HG       LYS  70  -3.083  -5.248   3.796
  516   2HG   LYS  70          1HG       LYS  70  -1.629  -4.283   3.537
  517   1HD   LYS  70          2HD       LYS  70  -3.827  -3.060   5.110
  518   2HD   LYS  70          1HD       LYS  70  -2.896  -4.349   5.876
  519   1HE   LYS  70          2HE       LYS  70  -1.041  -3.080   6.052
  520   2HE   LYS  70          1HE       LYS  70  -1.304  -2.297   4.495
  521   1HZ   LYS  70          1HZ       LYS  70  -2.347  -0.588   5.452
  522   2HZ   LYS  70          2HZ       LYS  70  -1.644  -1.120   6.894
  523   3HZ   LYS  70          3HZ       LYS  70  -3.229  -1.568   6.512
  524    H    LYS  71           H        LYS  71  -4.314  -6.567   2.432
  525    HA   LYS  71           HA       LYS  71  -1.750  -7.728   2.116
  526   1HB   LYS  71          2HB       LYS  71  -2.728  -8.694   3.935
  527   2HB   LYS  71          1HB       LYS  71  -4.341  -8.555   3.260
  528   1HG   LYS  71          2HG       LYS  71  -2.471 -10.516   2.044
  529   2HG   LYS  71          1HG       LYS  71  -3.182 -10.889   3.615
  530   1HD   LYS  71          2HD       LYS  71  -4.721 -10.169   1.119
  531   2HD   LYS  71          1HD       LYS  71  -4.514 -11.801   1.759
  532   1HE   LYS  71          2HE       LYS  71  -5.904  -9.500   3.133
  533   2HE   LYS  71          1HE       LYS  71  -6.681 -10.899   2.393
  534   1HZ   LYS  71          1HZ       LYS  71  -5.179 -12.202   4.037
  535   2HZ   LYS  71          2HZ       LYS  71  -6.615 -11.500   4.590
  536   3HZ   LYS  71          3HZ       LYS  71  -5.133 -10.740   4.886
  537    H    LYS  72           H        LYS  72  -4.571  -7.535   0.209
  538    HA   LYS  72           HA       LYS  72  -4.080  -9.747  -1.443
  539   1HB   LYS  72          2HB       LYS  72  -5.978  -7.565  -1.359
  540   2HB   LYS  72          1HB       LYS  72  -5.446  -7.881  -3.003
  541   1HG   LYS  72          2HG       LYS  72  -6.700  -9.703  -3.139
  542   2HG   LYS  72          1HG       LYS  72  -6.059 -10.336  -1.622
  543   1HD   LYS  72          2HD       LYS  72  -7.851  -8.128  -1.136
  544   2HD   LYS  72          1HD       LYS  72  -8.641  -9.374  -2.104
  545   1HE   LYS  72          2HE       LYS  72  -8.295 -11.020  -0.463
  546   2HE   LYS  72          1HE       LYS  72  -7.100 -10.039   0.385
  547   1HZ   LYS  72          1HZ       LYS  72  -9.135  -8.434   0.630
  548   2HZ   LYS  72          2HZ       LYS  72  -8.914  -9.721   1.704
  549   3HZ   LYS  72          3HZ       LYS  72 -10.024  -9.861   0.435
  550    H    ALA  73           H        ALA  73  -3.020  -6.489  -1.314
  551    HA   ALA  73           HA       ALA  73  -1.627  -6.646  -3.835
  552   1HB   ALA  73          1HB       ALA  73  -2.826  -4.601  -3.242
  553   2HB   ALA  73          2HB       ALA  73  -1.101  -4.306  -3.466
  554   3HB   ALA  73          3HB       ALA  73  -1.777  -4.401  -1.840
  555    H    SER  74           H        SER  74  -1.049  -7.385  -0.585
  556    HA   SER  74           HA       SER  74   0.816  -8.230   0.424
  557   1HB   SER  74          2HB       SER  74   1.518  -8.529  -2.186
  558   2HB   SER  74          1HB       SER  74   2.764  -7.407  -1.641
  559    HG   SER  74           HG       SER  74   3.013  -8.968   0.172
  560    H    LEU  75           H        LEU  75  -0.058  -5.278   0.120
  561    HA   LEU  75           HA       LEU  75   2.376  -3.864   0.782
  562   1HB   LEU  75          2HB       LEU  75  -0.477  -2.883   0.842
  563   2HB   LEU  75          1HB       LEU  75   0.964  -1.890   0.903
  564    HG   LEU  75           HG       LEU  75  -0.274  -3.290  -1.419
  565   1HD1  LEU  75          1HD1      LEU  75  -0.095  -1.223  -2.480
  566   2HD1  LEU  75          2HD1      LEU  75   1.140  -0.649  -1.357
  567   3HD1  LEU  75          3HD1      LEU  75  -0.531  -0.818  -0.819
  568   1HD2  LEU  75          1HD2      LEU  75   1.751  -4.209  -1.834
  569   2HD2  LEU  75          2HD2      LEU  75   2.630  -2.983  -0.920
  570   3HD2  LEU  75          3HD2      LEU  75   2.033  -2.614  -2.536
  571    H    PHE  76           H        PHE  76   0.188  -5.763   2.461
  572    HA   PHE  76           HA       PHE  76  -0.167  -4.427   4.873
  573   1HB   PHE  76          2HB       PHE  76  -1.141  -6.689   4.011
  574   2HB   PHE  76          1HB       PHE  76   0.271  -7.392   4.791
  575    HD1  PHE  76           1HD      PHE  76  -3.039  -6.986   5.262
  576    HD2  PHE  76           2HD      PHE  76   0.614  -6.083   7.255
  577    HE1  PHE  76           1HE      PHE  76  -4.219  -6.969   7.415
  578    HE2  PHE  76           2HE      PHE  76  -0.566  -6.060   9.411
  579    HZ   PHE  76           HZ       PHE  76  -2.988  -6.504   9.493
  Start of MODEL    8
    1    HA   PRO   9           HA       PRO   9   1.317  14.339   6.149
    2   1HB   PRO   9          2HB       PRO   9   2.679  11.789   6.377
    3   2HB   PRO   9          1HB       PRO   9   3.152  13.367   7.017
    4   1HG   PRO   9          2HG       PRO   9   2.314  11.312   8.595
    5   2HG   PRO   9          1HG       PRO   9   2.098  13.020   9.018
    6   1HD   PRO   9          2HD       PRO   9   0.119  11.096   7.832
    7   2HD   PRO   9          1HD       PRO   9  -0.112  12.284   9.130
    8    H    GLY  10           H        GLY  10   1.919  14.109   4.009
    9   1HA   GLY  10          2HA       GLY  10   0.492  11.990   2.536
   10   2HA   GLY  10          1HA       GLY  10   0.906  13.565   1.878
   11    H    LEU  11           H        LEU  11   1.968  10.339   2.446
   12    HA   LEU  11           HA       LEU  11   4.714  10.725   1.914
   13   1HB   LEU  11          2HB       LEU  11   3.308   8.152   1.344
   14   2HB   LEU  11          1HB       LEU  11   4.923   8.411   1.973
   15    HG   LEU  11           HG       LEU  11   3.372   9.486   3.961
   16   1HD1  LEU  11          1HD1      LEU  11   1.729   7.637   2.427
   17   2HD1  LEU  11          2HD1      LEU  11   1.271   8.801   3.672
   18   3HD1  LEU  11          3HD1      LEU  11   1.857   7.202   4.132
   19   1HD2  LEU  11          1HD2      LEU  11   5.230   7.486   3.679
   20   2HD2  LEU  11          2HD2      LEU  11   3.821   6.624   4.297
   21   3HD2  LEU  11          3HD2      LEU  11   4.482   7.990   5.194
   22    H    GLN  12           H        GLN  12   5.872  10.560   0.036
   23    HA   GLN  12           HA       GLN  12   4.678  11.335  -2.345
   24   1HB   GLN  12          2HB       GLN  12   7.266  11.038  -1.410
   25   2HB   GLN  12          1HB       GLN  12   7.176   9.895  -2.743
   26   1HG   GLN  12          2HG       GLN  12   6.255  12.726  -3.042
   27   2HG   GLN  12          1HG       GLN  12   7.948  12.275  -3.243
   28   1HE2  GLN  12          1HE2      GLN  12   4.715  11.926  -4.508
   29   2HE2  GLN  12          2HE2      GLN  12   5.171  11.322  -6.060
   30    H    ILE  13           H        ILE  13   3.900  10.302  -4.088
   31    HA   ILE  13           HA       ILE  13   3.049   7.617  -3.875
   32    HB   ILE  13           HB       ILE  13   3.176   9.373  -6.323
   33   1HG1  ILE  13          2HG1      ILE  13   1.974  10.307  -4.284
   34   2HG1  ILE  13          1HG1      ILE  13   1.034  10.197  -5.765
   35   1HG2  ILE  13          1HG2      ILE  13   2.108   6.692  -5.816
   36   2HG2  ILE  13          2HG2      ILE  13   2.549   7.480  -7.331
   37   3HG2  ILE  13          3HG2      ILE  13   0.981   7.801  -6.596
   38   1HD1  ILE  13          1HD1      ILE  13   0.775   7.796  -4.217
   39   2HD1  ILE  13          2HD1      ILE  13  -0.472   8.909  -4.780
   40   3HD1  ILE  13          3HD1      ILE  13   0.361   9.214  -3.254
   41    H    TYR  14           H        TYR  14   3.876   5.771  -4.649
   42    HA   TYR  14           HA       TYR  14   6.298   5.908  -6.314
   43   1HB   TYR  14          2HB       TYR  14   5.721   3.869  -4.154
   44   2HB   TYR  14          1HB       TYR  14   7.168   3.947  -5.151
   45    HD1  TYR  14           1HD      TYR  14   7.377   7.040  -5.007
   46    HD2  TYR  14           2HD      TYR  14   6.875   4.020  -2.059
   47    HE1  TYR  14           1HE      TYR  14   8.452   8.497  -3.342
   48    HE2  TYR  14           2HE      TYR  14   7.944   5.465  -0.384
   49    HH   TYR  14           HH       TYR  14   9.812   7.737  -0.835
   50    HA   PRO  15           HA       PRO  15   4.048   3.337  -9.111
   51   1HB   PRO  15          2HB       PRO  15   6.566   2.128  -9.998
   52   2HB   PRO  15          1HB       PRO  15   5.461   3.185 -10.879
   53   1HG   PRO  15          2HG       PRO  15   7.895   4.010 -10.057
   54   2HG   PRO  15          1HG       PRO  15   6.503   5.103 -10.151
   55   1HD   PRO  15          2HD       PRO  15   7.694   3.750  -7.758
   56   2HD   PRO  15          1HD       PRO  15   7.090   5.411  -7.929
   57    H    TYR  16           H        TYR  16   3.931   2.224  -6.624
   58    HA   TYR  16           HA       TYR  16   3.674   0.269  -5.489
   59   1HB   TYR  16          2HB       TYR  16   2.148  -0.118  -7.386
   60   2HB   TYR  16          1HB       TYR  16   3.463  -0.883  -8.265
   61    HD1  TYR  16           1HD      TYR  16   2.042  -1.207  -4.810
   62    HD2  TYR  16           2HD      TYR  16   3.249  -3.171  -8.386
   63    HE1  TYR  16           1HE      TYR  16   1.420  -3.369  -3.822
   64    HE2  TYR  16           2HE      TYR  16   2.627  -5.339  -7.409
   65    HH   TYR  16           HH       TYR  16   2.001  -6.410  -5.533
   66    H    GLU  17           H        GLU  17   5.371  -0.976  -8.275
   67    HA   GLU  17           HA       GLU  17   6.869  -2.913  -7.090
   68   1HB   GLU  17          2HB       GLU  17   8.534  -2.518  -8.974
   69   2HB   GLU  17          1HB       GLU  17   6.871  -2.833  -9.446
   70   1HG   GLU  17          2HG       GLU  17   6.634  -0.827 -10.395
   71   2HG   GLU  17          1HG       GLU  17   7.476   0.000  -9.085
   72    H    MET  18           H        MET  18   7.387   0.509  -6.980
   73    HA   MET  18           HA       MET  18  10.092   0.564  -6.260
   74   1HB   MET  18          2HB       MET  18   7.863   2.419  -6.283
   75   2HB   MET  18          1HB       MET  18   8.879   2.667  -4.870
   76   1HG   MET  18          2HG       MET  18   9.955   2.532  -7.671
   77   2HG   MET  18          1HG       MET  18   9.460   4.032  -6.890
   78   1HE   MET  18          1HE       MET  18  11.240   5.491  -5.482
   79   2HE   MET  18          2HE       MET  18  11.551   5.195  -7.192
   80   3HE   MET  18          3HE       MET  18  12.868   5.090  -6.025
   81    H    LEU  19           H        LEU  19   7.256  -0.313  -4.553
   82    HA   LEU  19           HA       LEU  19   8.681  -0.430  -1.987
   83   1HB   LEU  19          2HB       LEU  19   5.732  -0.709  -2.534
   84   2HB   LEU  19          1HB       LEU  19   6.494  -0.539  -0.962
   85    HG   LEU  19           HG       LEU  19   6.989   1.669  -2.858
   86   1HD1  LEU  19          1HD1      LEU  19   4.891   2.310  -3.251
   87   2HD1  LEU  19          2HD1      LEU  19   4.424   2.043  -1.572
   88   3HD1  LEU  19          3HD1      LEU  19   4.391   0.706  -2.718
   89   1HD2  LEU  19          1HD2      LEU  19   6.979   1.167  -0.030
   90   2HD2  LEU  19          2HD2      LEU  19   5.946   2.547  -0.404
   91   3HD2  LEU  19          3HD2      LEU  19   7.632   2.543  -0.920
   92    H    VAL  20           H        VAL  20   6.773  -2.240  -4.300
   93    HA   VAL  20           HA       VAL  20   6.730  -4.696  -2.856
   94    HB   VAL  20           HB       VAL  20   6.326  -4.327  -5.814
   95   1HG1  VAL  20          1HG1      VAL  20   6.285  -6.572  -5.551
   96   2HG1  VAL  20          2HG1      VAL  20   4.615  -6.237  -5.111
   97   3HG1  VAL  20          3HG1      VAL  20   5.827  -6.490  -3.854
   98   1HG2  VAL  20          1HG2      VAL  20   4.936  -2.958  -3.915
   99   2HG2  VAL  20          2HG2      VAL  20   3.963  -4.417  -4.085
  100   3HG2  VAL  20          3HG2      VAL  20   4.306  -3.416  -5.492
  101    H    VAL  21           H        VAL  21   9.239  -4.309  -2.543
  102    HA   VAL  21           HA       VAL  21  10.857  -5.250  -4.709
  103    HB   VAL  21           HB       VAL  21  11.660  -4.822  -1.834
  104   1HG1  VAL  21          1HG1      VAL  21  13.108  -5.529  -4.310
  105   2HG1  VAL  21          2HG1      VAL  21  13.464  -5.932  -2.630
  106   3HG1  VAL  21          3HG1      VAL  21  13.875  -4.337  -3.262
  107   1HG2  VAL  21          1HG2      VAL  21  10.695  -2.878  -3.451
  108   2HG2  VAL  21          2HG2      VAL  21  12.411  -2.824  -3.855
  109   3HG2  VAL  21          3HG2      VAL  21  11.891  -2.610  -2.184
  110    H    THR  22           H        THR  22  10.970  -7.342  -5.215
  111    HA   THR  22           HA       THR  22  10.080  -9.403  -3.521
  112    HB   THR  22           HB       THR  22  11.753 -10.480  -5.527
  113    HG1  THR  22           1HG      THR  22  10.030  -8.477  -6.528
  114   1HG2  THR  22          1HG2      THR  22   8.815 -10.161  -5.886
  115   2HG2  THR  22          2HG2      THR  22   9.450 -11.222  -4.628
  116   3HG2  THR  22          3HG2      THR  22   9.859 -11.515  -6.319
  117    H    ASN  23           H        ASN  23  11.364 -11.269  -2.835
  118    HA   ASN  23           HA       ASN  23  13.001 -12.143  -1.514
  119   1HB   ASN  23          2HB       ASN  23  14.355 -10.953  -3.842
  120   2HB   ASN  23          1HB       ASN  23  15.402 -11.237  -2.455
  121   1HD2  ASN  23          1HD2      ASN  23  14.457 -13.503  -1.381
  122   2HD2  ASN  23          2HD2      ASN  23  14.586 -14.813  -2.500
  123    H    LYS  24           H        LYS  24  15.339 -11.354  -0.485
  124    HA   LYS  24           HA       LYS  24  16.336 -10.070   1.106
  125   1HB   LYS  24          2HB       LYS  24  14.639  -7.780   0.111
  126   2HB   LYS  24          1HB       LYS  24  16.159  -7.682   0.990
  127   1HG   LYS  24          2HG       LYS  24  15.864  -8.843  -1.771
  128   2HG   LYS  24          1HG       LYS  24  16.362  -7.186  -1.424
  129   1HD   LYS  24          2HD       LYS  24  18.063  -8.615   0.155
  130   2HD   LYS  24          1HD       LYS  24  17.872  -9.695  -1.228
  131   1HE   LYS  24          2HE       LYS  24  18.285  -6.869  -1.913
  132   2HE   LYS  24          1HE       LYS  24  19.645  -7.639  -1.098
  133   1HZ   LYS  24          1HZ       LYS  24  20.141  -8.230  -3.203
  134   2HZ   LYS  24          2HZ       LYS  24  18.541  -8.142  -3.743
  135   3HZ   LYS  24          3HZ       LYS  24  19.069  -9.500  -2.885
  136    H    GLY  25           H        GLY  25  15.997  -9.352   3.230
  137   1HA   GLY  25          2HA       GLY  25  13.276  -9.874   4.205
  138   2HA   GLY  25          1HA       GLY  25  14.742  -9.937   5.171
  139    H    ARG  26           H        ARG  26  15.377  -8.156   6.272
  140    HA   ARG  26           HA       ARG  26  13.536  -6.033   6.578
  141   1HB   ARG  26          2HB       ARG  26  16.367  -6.289   7.596
  142   2HB   ARG  26          1HB       ARG  26  15.193  -5.099   8.141
  143   1HG   ARG  26          2HG       ARG  26  14.586  -6.535   9.712
  144   2HG   ARG  26          1HG       ARG  26  13.912  -7.554   8.439
  145   1HD   ARG  26          2HD       ARG  26  15.330  -9.025   9.495
  146   2HD   ARG  26          1HD       ARG  26  16.366  -8.407   8.213
  147    HE   ARG  26           HE       ARG  26  16.524  -7.723  11.061
  148   1HH1  ARG  26          1HH1      ARG  26  17.874  -7.525   7.838
  149   2HH1  ARG  26          2HH1      ARG  26  19.397  -6.916   8.387
  150   1HH2  ARG  26          1HH2      ARG  26  18.528  -6.921  11.769
  151   2HH2  ARG  26          2HH2      ARG  26  19.769  -6.573  10.611
  152    H    THR  27           H        THR  27  13.759  -5.677   4.080
  153    HA   THR  27           HA       THR  27  15.986  -4.236   3.131
  154    HB   THR  27           HB       THR  27  14.881  -5.080   1.346
  155    HG1  THR  27           1HG      THR  27  15.002  -2.893   0.919
  156   1HG2  THR  27          1HG2      THR  27  12.970  -6.099   2.081
  157   2HG2  THR  27          2HG2      THR  27  12.298  -4.772   1.133
  158   3HG2  THR  27          3HG2      THR  27  12.380  -4.649   2.891
  159    H    LYS  28           H        LYS  28  15.932  -2.040   2.319
  160    HA   LYS  28           HA       LYS  28  14.773  -0.257   4.330
  161   1HB   LYS  28          2HB       LYS  28  16.837   0.317   2.195
  162   2HB   LYS  28          1HB       LYS  28  16.336   1.423   3.467
  163   1HG   LYS  28          2HG       LYS  28  17.948   0.613   4.746
  164   2HG   LYS  28          1HG       LYS  28  17.115  -0.942   4.759
  165   1HD   LYS  28          2HD       LYS  28  18.349  -1.041   2.347
  166   2HD   LYS  28          1HD       LYS  28  19.507  -0.088   3.276
  167   1HE   LYS  28          2HE       LYS  28  18.544  -2.344   4.802
  168   2HE   LYS  28          1HE       LYS  28  19.229  -2.863   3.263
  169   1HZ   LYS  28          1HZ       LYS  28  20.708  -2.488   5.398
  170   2HZ   LYS  28          2HZ       LYS  28  20.739  -0.902   4.812
  171   3HZ   LYS  28          3HZ       LYS  28  21.294  -2.171   3.841
  172    H    LEU  29           H        LEU  29  12.865   0.617   3.873
  173    HA   LEU  29           HA       LEU  29  11.892   0.793   1.194
  174   1HB   LEU  29          2HB       LEU  29  10.532   2.092   3.514
  175   2HB   LEU  29          1HB       LEU  29   9.823   1.329   2.100
  176    HG   LEU  29           HG       LEU  29  11.128  -0.105   4.415
  177   1HD1  LEU  29          1HD1      LEU  29   8.629   1.021   4.295
  178   2HD1  LEU  29          2HD1      LEU  29   9.111  -0.313   5.345
  179   3HD1  LEU  29          3HD1      LEU  29   8.332  -0.646   3.798
  180   1HD2  LEU  29          1HD2      LEU  29  10.362  -2.147   3.336
  181   2HD2  LEU  29          2HD2      LEU  29  11.471  -1.266   2.283
  182   3HD2  LEU  29          3HD2      LEU  29   9.734  -1.212   1.979
  183    HA   PRO  30           HA       PRO  30  12.747   4.901  -0.131
  184   1HB   PRO  30          2HB       PRO  30   9.825   5.483   0.136
  185   2HB   PRO  30          1HB       PRO  30  10.917   5.811  -1.217
  186   1HG   PRO  30          2HG       PRO  30   9.228   3.762  -1.321
  187   2HG   PRO  30          1HG       PRO  30  10.879   3.608  -1.953
  188   1HD   PRO  30          2HD       PRO  30   9.698   2.520   0.553
  189   2HD   PRO  30          1HD       PRO  30  10.968   1.843  -0.483
  190    HA   PRO  31           HA       PRO  31  13.227   7.434   3.457
  191   1HB   PRO  31          2HB       PRO  31  12.735   9.743   1.645
  192   2HB   PRO  31          1HB       PRO  31  14.096   9.432   2.728
  193   1HG   PRO  31          2HG       PRO  31  14.357   9.129   0.095
  194   2HG   PRO  31          1HG       PRO  31  15.137   8.006   1.224
  195   1HD   PRO  31          2HD       PRO  31  12.682   7.629  -0.433
  196   2HD   PRO  31          1HD       PRO  31  13.954   6.462  -0.017
  197    H    GLY  32           H        GLY  32  11.204   6.772   4.406
  198   1HA   GLY  32          2HA       GLY  32   9.487   7.880   5.685
  199   2HA   GLY  32          1HA       GLY  32   9.204   8.934   4.309
  200    H    VAL  33           H        VAL  33   9.149   5.446   5.056
  201    HA   VAL  33           HA       VAL  33   6.692   5.252   3.536
  202    HB   VAL  33           HB       VAL  33   8.866   3.252   3.828
  203   1HG1  VAL  33          1HG1      VAL  33   6.078   2.885   2.783
  204   2HG1  VAL  33          2HG1      VAL  33   6.891   1.961   4.046
  205   3HG1  VAL  33          3HG1      VAL  33   7.402   1.798   2.366
  206   1HG2  VAL  33          1HG2      VAL  33   8.145   5.180   1.866
  207   2HG2  VAL  33          2HG2      VAL  33   8.076   3.563   1.167
  208   3HG2  VAL  33          3HG2      VAL  33   9.564   4.138   1.923
  209    H    ASP  34           H        ASP  34   5.093   3.873   4.228
  210    HA   ASP  34           HA       ASP  34   5.177   3.399   7.118
  211   1HB   ASP  34          2HB       ASP  34   3.439   4.886   5.546
  212   2HB   ASP  34          1HB       ASP  34   2.535   3.409   5.894
  213    H    ARG  35           H        ARG  35   5.782   1.296   7.317
  214    HA   ARG  35           HA       ARG  35   5.265  -0.820   5.626
  215   1HB   ARG  35          2HB       ARG  35   5.526  -2.260   7.696
  216   2HB   ARG  35          1HB       ARG  35   6.841  -1.142   7.364
  217   1HG   ARG  35          2HG       ARG  35   5.215   0.348   8.980
  218   2HG   ARG  35          1HG       ARG  35   5.020  -1.278   9.638
  219   1HD   ARG  35          2HD       ARG  35   7.671  -1.264   9.356
  220   2HD   ARG  35          1HD       ARG  35   7.413   0.469   9.550
  221    HE   ARG  35           HE       ARG  35   6.085  -1.133  11.536
  222   1HH1  ARG  35          1HH1      ARG  35   9.061   0.472  10.672
  223   2HH1  ARG  35          2HH1      ARG  35   9.605   0.617  12.310
  224   1HH2  ARG  35          1HH2      ARG  35   6.798  -0.945  13.689
  225   2HH2  ARG  35          2HH2      ARG  35   8.321  -0.188  14.023
  226    H    MET  36           H        MET  36   3.323   0.283   8.384
  227    HA   MET  36           HA       MET  36   1.260  -1.636   7.804
  228   1HB   MET  36          2HB       MET  36   2.128  -0.557  10.128
  229   2HB   MET  36          1HB       MET  36   0.741   0.472   9.797
  230   1HG   MET  36          2HG       MET  36  -0.762  -1.259   9.989
  231   2HG   MET  36          1HG       MET  36   0.448  -2.489   9.629
  232   1HE   MET  36          1HE       MET  36   2.842  -2.226  12.063
  233   2HE   MET  36          2HE       MET  36   2.062  -3.355  10.955
  234   3HE   MET  36          3HE       MET  36   1.918  -3.589  12.697
  235    H    ARG  37           H        ARG  37   2.039   1.038   6.264
  236    HA   ARG  37           HA       ARG  37  -0.675   1.557   5.416
  237   1HB   ARG  37          2HB       ARG  37   0.914   3.493   7.020
  238   2HB   ARG  37          1HB       ARG  37  -0.011   4.134   5.670
  239   1HG   ARG  37          2HG       ARG  37  -1.610   2.326   7.244
  240   2HG   ARG  37          1HG       ARG  37  -0.921   3.605   8.247
  241   1HD   ARG  37          2HD       ARG  37  -2.045   4.462   5.663
  242   2HD   ARG  37          1HD       ARG  37  -3.209   3.852   6.836
  243    HE   ARG  37           HE       ARG  37  -1.441   5.732   8.021
  244   1HH1  ARG  37          1HH1      ARG  37  -4.236   5.488   5.947
  245   2HH1  ARG  37          2HH1      ARG  37  -4.835   7.060   6.360
  246   1HH2  ARG  37          1HH2      ARG  37  -2.227   7.800   8.565
  247   2HH2  ARG  37          2HH2      ARG  37  -3.694   8.372   7.845
  248    H    LEU  38           H        LEU  38   0.955   0.344   3.840
  249    HA   LEU  38           HA       LEU  38   2.690   2.056   2.351
  250   1HB   LEU  38          2HB       LEU  38   2.069  -0.762   2.511
  251   2HB   LEU  38          1HB       LEU  38   2.162  -0.243   0.847
  252    HG   LEU  38           HG       LEU  38   4.324  -0.928   1.229
  253   1HD1  LEU  38          1HD1      LEU  38   4.349   1.956   2.081
  254   2HD1  LEU  38          2HD1      LEU  38   4.409   1.355   0.425
  255   3HD1  LEU  38          3HD1      LEU  38   5.752   1.045   1.526
  256   1HD2  LEU  38          1HD2      LEU  38   3.620  -0.489   3.976
  257   2HD2  LEU  38          2HD2      LEU  38   5.217   0.183   3.641
  258   3HD2  LEU  38          3HD2      LEU  38   4.883  -1.512   3.293
  259    H    GLU  39           H        GLU  39  -0.558   1.001   2.124
  260    HA   GLU  39           HA       GLU  39  -1.187   1.337  -0.541
  261   1HB   GLU  39          2HB       GLU  39  -3.464   1.635   0.116
  262   2HB   GLU  39          1HB       GLU  39  -2.733   0.516   1.256
  263   1HG   GLU  39          2HG       GLU  39  -3.236   3.446   1.727
  264   2HG   GLU  39          1HG       GLU  39  -4.176   2.107   2.385
  265    H    ARG  40           H        ARG  40  -0.470   3.746   1.846
  266    HA   ARG  40           HA       ARG  40  -1.561   5.948   0.438
  267   1HB   ARG  40          2HB       ARG  40   0.474   5.819   2.656
  268   2HB   ARG  40          1HB       ARG  40  -0.202   7.318   2.031
  269   1HG   ARG  40          2HG       ARG  40  -2.263   5.416   2.763
  270   2HG   ARG  40          1HG       ARG  40  -1.195   5.799   4.114
  271   1HD   ARG  40          2HD       ARG  40  -2.319   7.693   4.405
  272   2HD   ARG  40          1HD       ARG  40  -1.740   8.240   2.832
  273    HE   ARG  40           HE       ARG  40  -4.376   7.276   3.479
  274   1HH1  ARG  40          1HH1      ARG  40  -2.057   7.815   0.925
  275   2HH1  ARG  40          2HH1      ARG  40  -3.258   7.885  -0.320
  276   1HH2  ARG  40          1HH2      ARG  40  -5.956   7.368   1.842
  277   2HH2  ARG  40          2HH2      ARG  40  -5.471   7.632   0.200
  278    H    HIS  41           H        HIS  41   1.043   4.037  -0.244
  279    HA   HIS  41           HA       HIS  41   2.613   6.189  -1.458
  280   1HB   HIS  41          2HB       HIS  41   3.219   3.305  -0.846
  281   2HB   HIS  41          1HB       HIS  41   4.260   4.280  -1.879
  282    HD1  HIS  41           1HD      HIS  41   5.523   6.272  -0.723
  283    HD2  HIS  41           2HD      HIS  41   3.455   3.775   1.860
  284    HE1  HIS  41           1HE      HIS  41   6.397   6.802   1.576
  285    HE2  HIS  41           2HE      HIS  41   4.938   5.459   3.124
  286    H    LEU  42           H        LEU  42   0.563   3.488  -2.236
  287    HA   LEU  42           HA       LEU  42   1.298   3.065  -4.897
  288   1HB   LEU  42          2HB       LEU  42  -0.960   2.456  -3.132
  289   2HB   LEU  42          1HB       LEU  42  -1.382   2.571  -4.818
  290    HG   LEU  42           HG       LEU  42   0.292   0.546  -3.424
  291   1HD1  LEU  42          1HD1      LEU  42  -2.042   0.698  -5.230
  292   2HD1  LEU  42          2HD1      LEU  42  -1.752  -0.345  -3.833
  293   3HD1  LEU  42          3HD1      LEU  42  -0.997  -0.717  -5.381
  294   1HD2  LEU  42          1HD2      LEU  42   0.824   1.652  -6.125
  295   2HD2  LEU  42          2HD2      LEU  42   0.850  -0.102  -5.948
  296   3HD2  LEU  42          3HD2      LEU  42   1.924   0.899  -4.971
  297    H    SER  43           H        SER  43   0.810   4.082  -6.750
  298    HA   SER  43           HA       SER  43  -0.312   6.697  -6.649
  299   1HB   SER  43          2HB       SER  43   1.193   5.224  -8.514
  300   2HB   SER  43          1HB       SER  43  -0.329   5.649  -9.298
  301    HG   SER  43           HG       SER  43   0.135   7.845  -8.473
  302    H    ALA  44           H        ALA  44  -2.175   7.323  -7.987
  303    HA   ALA  44           HA       ALA  44  -4.456   5.884  -7.240
  304   1HB   ALA  44          1HB       ALA  44  -4.252   7.855  -9.510
  305   2HB   ALA  44          2HB       ALA  44  -4.415   8.312  -7.813
  306   3HB   ALA  44          3HB       ALA  44  -5.709   7.420  -8.615
  307    H    GLU  45           H        GLU  45  -2.471   5.798 -10.089
  308    HA   GLU  45           HA       GLU  45  -4.217   4.204 -11.627
  309   1HB   GLU  45          2HB       GLU  45  -1.253   4.674 -11.951
  310   2HB   GLU  45          1HB       GLU  45  -2.319   3.966 -13.158
  311   1HG   GLU  45          2HG       GLU  45  -3.612   6.123 -13.120
  312   2HG   GLU  45          1HG       GLU  45  -2.307   6.792 -12.142
  313    H    ASP  46           H        ASP  46  -1.953   3.644  -9.111
  314    HA   ASP  46           HA       ASP  46  -1.651   0.881  -9.808
  315   1HB   ASP  46          2HB       ASP  46  -0.456   2.520  -7.586
  316   2HB   ASP  46          1HB       ASP  46  -0.240   0.773  -7.706
  317    H    PHE  47           H        PHE  47  -3.029   2.814  -7.138
  318    HA   PHE  47           HA       PHE  47  -3.913   0.632  -5.638
  319   1HB   PHE  47          2HB       PHE  47  -3.974   2.903  -4.735
  320   2HB   PHE  47          1HB       PHE  47  -5.204   3.347  -5.918
  321    HD1  PHE  47           1HD      PHE  47  -7.457   2.346  -5.787
  322    HD2  PHE  47           2HD      PHE  47  -4.532   1.740  -2.760
  323    HE1  PHE  47           1HE      PHE  47  -9.214   1.569  -4.253
  324    HE2  PHE  47           2HE      PHE  47  -6.278   0.957  -1.224
  325    HZ   PHE  47           HZ       PHE  47  -8.629   0.873  -1.973
  326    H    SER  48           H        SER  48  -5.608   2.545  -7.982
  327    HA   SER  48           HA       SER  48  -7.973   1.126  -8.094
  328   1HB   SER  48          2HB       SER  48  -6.586   2.770 -10.194
  329   2HB   SER  48          1HB       SER  48  -8.196   2.090 -10.430
  330    HG   SER  48           HG       SER  48  -8.559   4.077  -9.614
  331    H    ARG  49           H        ARG  49  -4.944   0.437  -9.582
  332    HA   ARG  49           HA       ARG  49  -6.077  -1.696 -11.134
  333   1HB   ARG  49          2HB       ARG  49  -3.414  -0.362 -11.086
  334   2HB   ARG  49          1HB       ARG  49  -3.577  -1.947 -11.826
  335   1HG   ARG  49          2HG       ARG  49  -5.618  -0.670 -13.020
  336   2HG   ARG  49          1HG       ARG  49  -4.519   0.685 -12.752
  337   1HD   ARG  49          2HD       ARG  49  -3.431  -1.844 -13.890
  338   2HD   ARG  49          1HD       ARG  49  -4.375  -0.783 -14.935
  339    HE   ARG  49           HE       ARG  49  -2.592   0.905 -13.815
  340   1HH1  ARG  49          1HH1      ARG  49  -2.250  -2.150 -15.468
  341   2HH1  ARG  49          2HH1      ARG  49  -0.682  -1.775 -16.098
  342   1HH2  ARG  49          1HH2      ARG  49  -0.530   1.399 -14.643
  343   2HH2  ARG  49          2HH2      ARG  49   0.296   0.239 -15.629
  344    H    VAL  50           H        VAL  50  -4.507  -1.195  -8.212
  345    HA   VAL  50           HA       VAL  50  -3.441  -3.839  -7.955
  346    HB   VAL  50           HB       VAL  50  -3.369  -1.370  -6.292
  347   1HG1  VAL  50          1HG1      VAL  50  -2.036  -3.787  -5.254
  348   2HG1  VAL  50          2HG1      VAL  50  -3.750  -3.609  -4.916
  349   3HG1  VAL  50          3HG1      VAL  50  -2.609  -2.374  -4.392
  350   1HG2  VAL  50          1HG2      VAL  50  -1.421  -1.196  -7.263
  351   2HG2  VAL  50          2HG2      VAL  50  -1.689  -2.684  -8.148
  352   3HG2  VAL  50          3HG2      VAL  50  -0.894  -2.717  -6.572
  353    H    PHE  51           H        PHE  51  -5.974  -1.897  -6.388
  354    HA   PHE  51           HA       PHE  51  -6.972  -4.365  -5.165
  355   1HB   PHE  51          2HB       PHE  51  -7.554  -1.528  -4.305
  356   2HB   PHE  51          1HB       PHE  51  -7.979  -3.003  -3.444
  357    HD1  PHE  51           1HD      PHE  51  -6.137  -4.441  -2.529
  358    HD2  PHE  51           2HD      PHE  51  -5.466  -0.503  -3.998
  359    HE1  PHE  51           1HE      PHE  51  -4.007  -4.350  -1.309
  360    HE2  PHE  51           2HE      PHE  51  -3.344  -0.398  -2.757
  361    HZ   PHE  51           HZ       PHE  51  -2.603  -2.329  -1.417
  362    H    ALA  52           H        ALA  52  -7.550  -2.595  -7.802
  363    HA   ALA  52           HA       ALA  52  -9.319  -2.208  -9.167
  364   1HB   ALA  52          1HB       ALA  52  -9.384  -4.754  -8.355
  365   2HB   ALA  52          2HB       ALA  52 -10.511  -4.076  -9.535
  366   3HB   ALA  52          3HB       ALA  52 -10.990  -4.231  -7.842
  367    H    MET  53           H        MET  53  -9.184  -0.526  -6.966
  368    HA   MET  53           HA       MET  53 -11.966   0.219  -6.692
  369   1HB   MET  53          2HB       MET  53 -10.219  -0.660  -4.484
  370   2HB   MET  53          1HB       MET  53 -11.110   0.823  -4.186
  371   1HG   MET  53          2HG       MET  53 -12.730  -0.520  -3.478
  372   2HG   MET  53          1HG       MET  53 -13.056  -0.786  -5.191
  373   1HE   MET  53          1HE       MET  53  -9.782  -2.170  -3.376
  374   2HE   MET  53          2HE       MET  53 -10.471  -3.598  -2.605
  375   3HE   MET  53          3HE       MET  53 -11.011  -1.990  -2.123
  376    H    SER  54           H        SER  54 -12.095   2.472  -5.614
  377    HA   SER  54           HA       SER  54 -10.191   4.152  -6.963
  378   1HB   SER  54          2HB       SER  54 -11.625   6.008  -6.163
  379   2HB   SER  54          1HB       SER  54 -12.554   4.775  -7.015
  380    HG   SER  54           HG       SER  54 -13.578   5.395  -5.078
  381    HA   PRO  55           HA       PRO  55  -7.207   4.498  -3.714
  382   1HB   PRO  55          2HB       PRO  55  -7.050   7.343  -4.066
  383   2HB   PRO  55          1HB       PRO  55  -5.909   6.120  -4.627
  384   1HG   PRO  55          2HG       PRO  55  -8.128   7.439  -6.087
  385   2HG   PRO  55          1HG       PRO  55  -6.622   6.751  -6.715
  386   1HD   PRO  55          2HD       PRO  55  -8.963   5.544  -7.099
  387   2HD   PRO  55          1HD       PRO  55  -7.497   4.596  -6.755
  388    H    GLU  56           H        GLU  56  -9.834   6.735  -4.039
  389    HA   GLU  56           HA       GLU  56  -9.909   7.690  -1.414
  390   1HB   GLU  56          2HB       GLU  56 -12.250   8.347  -2.127
  391   2HB   GLU  56          1HB       GLU  56 -10.935   9.039  -3.050
  392   1HG   GLU  56          2HG       GLU  56 -11.670   6.618  -4.290
  393   2HG   GLU  56          1HG       GLU  56 -13.159   7.480  -3.919
  394    H    GLU  57           H        GLU  57 -11.684   5.171  -3.142
  395    HA   GLU  57           HA       GLU  57 -13.566   4.451  -1.374
  396   1HB   GLU  57          2HB       GLU  57 -12.014   3.059  -3.419
  397   2HB   GLU  57          1HB       GLU  57 -12.681   2.012  -2.193
  398   1HG   GLU  57          2HG       GLU  57 -14.407   4.020  -3.562
  399   2HG   GLU  57          1HG       GLU  57 -14.031   2.482  -4.338
  400    H    PHE  58           H        PHE  58 -10.235   3.691  -1.353
  401    HA   PHE  58           HA       PHE  58 -10.178   2.062   0.944
  402   1HB   PHE  58          2HB       PHE  58  -8.323   2.840  -0.967
  403   2HB   PHE  58          1HB       PHE  58  -7.732   3.586   0.513
  404    HD1  PHE  58           1HD      PHE  58  -9.375   0.331  -0.230
  405    HD2  PHE  58           2HD      PHE  58  -6.017   2.344   1.405
  406    HE1  PHE  58           1HE      PHE  58  -8.433  -1.824   0.471
  407    HE2  PHE  58           2HE      PHE  58  -5.064   0.198   2.110
  408    HZ   PHE  58           HZ       PHE  58  -6.278  -1.879   1.637
  409    H    GLY  59           H        GLY  59  -9.574   5.516   0.376
  410   1HA   GLY  59          2HA       GLY  59  -8.890   6.212   3.006
  411   2HA   GLY  59          1HA       GLY  59  -9.613   7.298   1.828
  412    H    LYS  60           H        LYS  60 -11.934   5.232   1.754
  413    HA   LYS  60           HA       LYS  60 -13.297   6.338   4.037
  414   1HB   LYS  60          2HB       LYS  60 -14.650   5.143   1.652
  415   2HB   LYS  60          1HB       LYS  60 -15.340   6.222   2.856
  416   1HG   LYS  60          2HG       LYS  60 -13.285   6.937   0.776
  417   2HG   LYS  60          1HG       LYS  60 -14.985   7.406   0.786
  418   1HD   LYS  60          2HD       LYS  60 -14.609   9.108   2.189
  419   2HD   LYS  60          1HD       LYS  60 -13.609   8.118   3.251
  420   1HE   LYS  60          2HE       LYS  60 -11.665   8.566   2.035
  421   2HE   LYS  60          1HE       LYS  60 -12.567   9.106   0.619
  422   1HZ   LYS  60          1HZ       LYS  60 -11.760  11.047   1.593
  423   2HZ   LYS  60          2HZ       LYS  60 -12.120  10.539   3.165
  424   3HZ   LYS  60          3HZ       LYS  60 -13.369  10.981   2.113
  425    H    LEU  61           H        LEU  61 -12.390   3.386   2.568
  426    HA   LEU  61           HA       LEU  61 -14.182   1.589   3.667
  427   1HB   LEU  61          2HB       LEU  61 -11.299   1.374   2.906
  428   2HB   LEU  61          1HB       LEU  61 -12.123   0.016   3.632
  429    HG   LEU  61           HG       LEU  61 -13.155   1.363   1.152
  430   1HD1  LEU  61          1HD1      LEU  61 -11.678  -1.192   0.982
  431   2HD1  LEU  61          2HD1      LEU  61 -10.736   0.282   1.151
  432   3HD1  LEU  61          3HD1      LEU  61 -11.847   0.099  -0.204
  433   1HD2  LEU  61          1HD2      LEU  61 -13.696  -1.241   2.541
  434   2HD2  LEU  61          2HD2      LEU  61 -14.161  -0.945   0.867
  435   3HD2  LEU  61          3HD2      LEU  61 -14.830   0.052   2.159
  436    H    ALA  62           H        ALA  62 -12.965  -0.220   5.235
  437    HA   ALA  62           HA       ALA  62 -12.685   1.216   7.772
  438   1HB   ALA  62          1HB       ALA  62 -13.027  -1.761   7.453
  439   2HB   ALA  62          2HB       ALA  62 -14.399  -0.647   7.413
  440   3HB   ALA  62          3HB       ALA  62 -13.389  -0.748   8.855
  441    H    LEU  63           H        LEU  63 -11.322  -0.551   9.304
  442    HA   LEU  63           HA       LEU  63  -8.652  -0.364   8.179
  443   1HB   LEU  63          2HB       LEU  63  -9.755  -0.184  10.793
  444   2HB   LEU  63          1HB       LEU  63  -8.629  -1.529  10.780
  445    HG   LEU  63           HG       LEU  63  -7.505   0.491  11.500
  446   1HD1  LEU  63          1HD1      LEU  63  -6.580  -1.242   9.640
  447   2HD1  LEU  63          2HD1      LEU  63  -5.615   0.038  10.374
  448   3HD1  LEU  63          3HD1      LEU  63  -6.367   0.293   8.800
  449   1HD2  LEU  63          1HD2      LEU  63  -7.510   2.499  10.381
  450   2HD2  LEU  63          2HD2      LEU  63  -9.143   1.924  10.047
  451   3HD2  LEU  63          3HD2      LEU  63  -7.882   1.756   8.826
  452    H    TRP  64           H        TRP  64 -11.054  -2.666   8.832
  453    HA   TRP  64           HA       TRP  64  -9.337  -4.924   8.770
  454   1HB   TRP  64          2HB       TRP  64 -11.521  -6.200   8.787
  455   2HB   TRP  64          1HB       TRP  64 -11.252  -5.138  10.165
  456    HD1  TRP  64           HD       TRP  64 -12.720  -2.814  10.206
  457    HE1  TRP  64           1HE      TRP  64 -15.028  -2.303   9.173
  458    HE3  TRP  64           3HE      TRP  64 -13.010  -6.647   6.877
  459    HZ2  TRP  64           2HZ      TRP  64 -16.747  -3.386   7.249
  460    HZ3  TRP  64           3HZ      TRP  64 -15.026  -6.857   5.472
  461    HH2  TRP  64           HH       TRP  64 -16.853  -5.243   5.662
  462    H    LYS  65           H        LYS  65 -11.959  -3.722   6.669
  463    HA   LYS  65           HA       LYS  65 -11.531  -5.552   4.614
  464   1HB   LYS  65          2HB       LYS  65 -12.609  -3.732   3.148
  465   2HB   LYS  65          1HB       LYS  65 -13.557  -4.382   4.473
  466   1HG   LYS  65          2HG       LYS  65 -12.367  -2.257   5.658
  467   2HG   LYS  65          1HG       LYS  65 -12.558  -1.684   4.006
  468   1HD   LYS  65          2HD       LYS  65 -14.661  -2.531   5.960
  469   2HD   LYS  65          1HD       LYS  65 -14.554  -1.043   5.030
  470   1HE   LYS  65          2HE       LYS  65 -14.714  -2.864   3.036
  471   2HE   LYS  65          1HE       LYS  65 -15.662  -3.669   4.287
  472   1HZ   LYS  65          1HZ       LYS  65 -16.226  -1.217   2.815
  473   2HZ   LYS  65          2HZ       LYS  65 -16.687  -1.243   4.443
  474   3HZ   LYS  65          3HZ       LYS  65 -17.285  -2.413   3.377
  475    H    ARG  66           H        ARG  66 -10.052  -2.463   5.340
  476    HA   ARG  66           HA       ARG  66  -8.560  -2.165   2.978
  477   1HB   ARG  66          2HB       ARG  66  -8.611  -1.023   5.691
  478   2HB   ARG  66          1HB       ARG  66  -7.045  -0.979   4.911
  479   1HG   ARG  66          2HG       ARG  66  -8.499  -0.023   2.902
  480   2HG   ARG  66          1HG       ARG  66  -9.548   0.454   4.237
  481   1HD   ARG  66          2HD       ARG  66  -7.700   2.082   3.411
  482   2HD   ARG  66          1HD       ARG  66  -7.970   1.877   5.141
  483    HE   ARG  66           HE       ARG  66  -5.981   0.107   4.063
  484   1HH1  ARG  66          1HH1      ARG  66  -6.567   3.290   5.374
  485   2HH1  ARG  66          2HH1      ARG  66  -4.938   3.502   5.922
  486   1HH2  ARG  66          1HH2      ARG  66  -3.838   0.383   4.793
  487   2HH2  ARG  66          2HH2      ARG  66  -3.389   1.852   5.594
  488    H    ASN  67           H        ASN  67  -7.921  -3.726   6.099
  489    HA   ASN  67           HA       ASN  67  -5.263  -4.443   5.590
  490   1HB   ASN  67          2HB       ASN  67  -7.352  -5.058   7.560
  491   2HB   ASN  67          1HB       ASN  67  -6.169  -6.334   7.332
  492   1HD2  ASN  67          1HD2      ASN  67  -6.645  -4.627   9.637
  493   2HD2  ASN  67          2HD2      ASN  67  -5.155  -3.812   9.952
  494    H    GLU  68           H        GLU  68  -8.342  -6.125   5.088
  495    HA   GLU  68           HA       GLU  68  -7.235  -8.538   4.220
  496   1HB   GLU  68          2HB       GLU  68  -9.945  -7.363   3.639
  497   2HB   GLU  68          1HB       GLU  68  -9.490  -9.035   3.344
  498   1HG   GLU  68          2HG       GLU  68  -8.842  -8.749   5.970
  499   2HG   GLU  68          1HG       GLU  68 -10.250  -7.699   5.830
  500    H    LEU  69           H        LEU  69  -7.652  -5.545   2.682
  501    HA   LEU  69           HA       LEU  69  -7.407  -6.662  -0.001
  502   1HB   LEU  69          2HB       LEU  69  -7.810  -3.849   1.009
  503   2HB   LEU  69          1HB       LEU  69  -7.591  -4.245  -0.691
  504    HG   LEU  69           HG       LEU  69  -9.822  -5.284   1.046
  505   1HD1  LEU  69          1HD1      LEU  69 -10.437  -3.091   0.796
  506   2HD1  LEU  69          2HD1      LEU  69 -11.115  -3.781  -0.679
  507   3HD1  LEU  69          3HD1      LEU  69  -9.582  -2.911  -0.736
  508   1HD2  LEU  69          1HD2      LEU  69  -8.768  -6.315  -1.286
  509   2HD2  LEU  69          2HD2      LEU  69 -10.165  -5.383  -1.830
  510   3HD2  LEU  69          3HD2      LEU  69 -10.367  -6.652  -0.621
  511    H    LYS  70           H        LYS  70  -5.728  -4.281   2.019
  512    HA   LYS  70           HA       LYS  70  -3.584  -3.753   0.386
  513   1HB   LYS  70          2HB       LYS  70  -2.846  -2.555   2.133
  514   2HB   LYS  70          1HB       LYS  70  -4.365  -2.994   2.879
  515   1HG   LYS  70          2HG       LYS  70  -3.104  -5.030   3.796
  516   2HG   LYS  70          1HG       LYS  70  -1.646  -4.141   3.356
  517   1HD   LYS  70          2HD       LYS  70  -3.830  -3.138   5.179
  518   2HD   LYS  70          1HD       LYS  70  -2.269  -3.772   5.702
  519   1HE   LYS  70          2HE       LYS  70  -2.267  -1.554   3.730
  520   2HE   LYS  70          1HE       LYS  70  -2.721  -1.170   5.389
  521   1HZ   LYS  70          1HZ       LYS  70  -0.157  -2.223   4.378
  522   2HZ   LYS  70          2HZ       LYS  70  -0.591  -2.417   6.001
  523   3HZ   LYS  70          3HZ       LYS  70  -0.438  -0.865   5.347
  524    H    LYS  71           H        LYS  71  -4.192  -6.534   2.373
  525    HA   LYS  71           HA       LYS  71  -1.574  -7.579   2.212
  526   1HB   LYS  71          2HB       LYS  71  -2.697  -8.487   4.003
  527   2HB   LYS  71          1HB       LYS  71  -4.217  -8.564   3.133
  528   1HG   LYS  71          2HG       LYS  71  -2.893 -10.432   1.771
  529   2HG   LYS  71          1HG       LYS  71  -2.010 -10.531   3.294
  530   1HD   LYS  71          2HD       LYS  71  -3.937 -12.094   3.157
  531   2HD   LYS  71          1HD       LYS  71  -4.046 -10.960   4.505
  532   1HE   LYS  71          2HE       LYS  71  -5.784  -9.794   3.564
  533   2HE   LYS  71          1HE       LYS  71  -5.311 -10.211   1.919
  534   1HZ   LYS  71          1HZ       LYS  71  -6.058 -12.511   2.397
  535   2HZ   LYS  71          2HZ       LYS  71  -7.309 -11.372   2.451
  536   3HZ   LYS  71          3HZ       LYS  71  -6.655 -11.978   3.888
  537    H    LYS  72           H        LYS  72  -4.362  -7.684   0.207
  538    HA   LYS  72           HA       LYS  72  -3.662  -9.827  -1.431
  539   1HB   LYS  72          2HB       LYS  72  -5.203  -7.356  -2.212
  540   2HB   LYS  72          1HB       LYS  72  -5.200  -8.887  -3.077
  541   1HG   LYS  72          2HG       LYS  72  -6.176  -8.565  -0.254
  542   2HG   LYS  72          1HG       LYS  72  -7.216  -8.478  -1.677
  543   1HD   LYS  72          2HD       LYS  72  -6.963 -10.721  -2.162
  544   2HD   LYS  72          1HD       LYS  72  -5.426 -10.837  -1.301
  545   1HE   LYS  72          2HE       LYS  72  -6.781 -10.383   0.810
  546   2HE   LYS  72          1HE       LYS  72  -8.204 -10.730  -0.169
  547   1HZ   LYS  72          1HZ       LYS  72  -7.180 -12.904  -0.701
  548   2HZ   LYS  72          2HZ       LYS  72  -7.539 -12.718   0.940
  549   3HZ   LYS  72          3HZ       LYS  72  -5.943 -12.566   0.402
  550    H    ALA  73           H        ALA  73  -2.780  -6.507  -1.332
  551    HA   ALA  73           HA       ALA  73  -1.213  -6.688  -3.753
  552   1HB   ALA  73          1HB       ALA  73  -2.666  -4.720  -3.249
  553   2HB   ALA  73          2HB       ALA  73  -0.988  -4.325  -3.627
  554   3HB   ALA  73          3HB       ALA  73  -1.545  -4.309  -1.953
  555    H    SER  74           H        SER  74  -0.781  -7.264  -0.469
  556    HA   SER  74           HA       SER  74   1.083  -7.889   0.689
  557   1HB   SER  74          2HB       SER  74   1.968  -8.210  -1.857
  558   2HB   SER  74          1HB       SER  74   3.070  -6.956  -1.290
  559    HG   SER  74           HG       SER  74   3.724  -9.203  -0.910
  560    H    LEU  75           H        LEU  75  -0.002  -5.013   0.185
  561    HA   LEU  75           HA       LEU  75   2.258  -3.391   0.973
  562   1HB   LEU  75          2HB       LEU  75  -0.662  -2.637   0.817
  563   2HB   LEU  75          1HB       LEU  75   0.694  -1.534   0.935
  564    HG   LEU  75           HG       LEU  75  -0.182  -3.175  -1.416
  565   1HD1  LEU  75          1HD1      LEU  75  -0.329  -1.134  -2.542
  566   2HD1  LEU  75          2HD1      LEU  75   0.668  -0.302  -1.346
  567   3HD1  LEU  75          3HD1      LEU  75  -0.974  -0.794  -0.934
  568   1HD2  LEU  75          1HD2      LEU  75   2.047  -3.687  -1.547
  569   2HD2  LEU  75          2HD2      LEU  75   2.554  -2.186  -0.773
  570   3HD2  LEU  75          3HD2      LEU  75   1.993  -2.169  -2.445
  571    H    PHE  76           H        PHE  76   0.395  -5.528   2.593
  572    HA   PHE  76           HA       PHE  76  -0.357  -4.141   4.915
  573   1HB   PHE  76          2HB       PHE  76  -1.057  -6.496   4.070
  574   2HB   PHE  76          1HB       PHE  76   0.378  -7.051   4.926
  575    HD1  PHE  76           1HD      PHE  76  -3.019  -6.764   5.214
  576    HD2  PHE  76           2HD      PHE  76   0.527  -5.874   7.395
  577    HE1  PHE  76           1HE      PHE  76  -4.295  -6.828   7.313
  578    HE2  PHE  76           2HE      PHE  76  -0.747  -5.934   9.498
  579    HZ   PHE  76           HZ       PHE  76  -3.163  -6.412   9.457
  Start of MODEL    9
    1    HA   PRO   9           HA       PRO   9   1.182  15.451   5.427
    2   1HB   PRO   9          2HB       PRO   9   2.980  13.283   5.723
    3   2HB   PRO   9          1HB       PRO   9   3.155  14.922   6.364
    4   1HG   PRO   9          2HG       PRO   9   2.118  12.472   7.687
    5   2HG   PRO   9          1HG       PRO   9   2.997  13.844   8.385
    6   1HD   PRO   9          2HD       PRO   9   0.381  13.551   8.807
    7   2HD   PRO   9          1HD       PRO   9   1.075  15.161   8.530
    8    H    GLY  10           H        GLY  10   2.223  14.431   3.447
    9   1HA   GLY  10          2HA       GLY  10   0.628  12.131   2.507
   10   2HA   GLY  10          1HA       GLY  10   0.826  13.568   1.515
   11    H    LEU  11           H        LEU  11   2.051  10.529   2.254
   12    HA   LEU  11           HA       LEU  11   4.779  10.927   1.651
   13   1HB   LEU  11          2HB       LEU  11   3.250   8.360   1.318
   14   2HB   LEU  11          1HB       LEU  11   4.968   8.552   1.614
   15    HG   LEU  11           HG       LEU  11   3.920   9.773   3.815
   16   1HD1  LEU  11          1HD1      LEU  11   1.923   7.867   2.765
   17   2HD1  LEU  11          2HD1      LEU  11   1.709   9.299   3.771
   18   3HD1  LEU  11          3HD1      LEU  11   2.267   7.790   4.493
   19   1HD2  LEU  11          1HD2      LEU  11   5.298   7.356   3.168
   20   2HD2  LEU  11          2HD2      LEU  11   4.153   7.043   4.471
   21   3HD2  LEU  11          3HD2      LEU  11   5.365   8.311   4.649
   22    H    GLN  12           H        GLN  12   5.904  10.699  -0.242
   23    HA   GLN  12           HA       GLN  12   4.660  11.387  -2.626
   24   1HB   GLN  12          2HB       GLN  12   7.269  11.131  -1.726
   25   2HB   GLN  12          1HB       GLN  12   7.161   9.955  -3.030
   26   1HG   GLN  12          2HG       GLN  12   6.173  12.745  -3.421
   27   2HG   GLN  12          1HG       GLN  12   7.892  12.373  -3.553
   28   1HE2  GLN  12          1HE2      GLN  12   4.741  11.928  -4.945
   29   2HE2  GLN  12          2HE2      GLN  12   5.270  11.260  -6.447
   30    H    ILE  13           H        ILE  13   3.985  10.293  -4.397
   31    HA   ILE  13           HA       ILE  13   3.057   7.642  -4.092
   32    HB   ILE  13           HB       ILE  13   3.328   9.296  -6.598
   33   1HG1  ILE  13          2HG1      ILE  13   2.039  10.295  -4.636
   34   2HG1  ILE  13          1HG1      ILE  13   1.188  10.181  -6.169
   35   1HG2  ILE  13          1HG2      ILE  13   2.191   6.641  -6.077
   36   2HG2  ILE  13          2HG2      ILE  13   2.721   7.384  -7.585
   37   3HG2  ILE  13          3HG2      ILE  13   1.126   7.750  -6.937
   38   1HD1  ILE  13          1HD1      ILE  13   0.817   7.832  -4.519
   39   2HD1  ILE  13          2HD1      ILE  13  -0.378   8.864  -5.303
   40   3HD1  ILE  13          3HD1      ILE  13   0.278   9.313  -3.728
   41    H    TYR  14           H        TYR  14   3.936   5.747  -4.642
   42    HA   TYR  14           HA       TYR  14   6.439   5.768  -6.195
   43   1HB   TYR  14          2HB       TYR  14   5.628   3.829  -4.017
   44   2HB   TYR  14          1HB       TYR  14   7.122   3.766  -4.941
   45    HD1  TYR  14           1HD      TYR  14   7.310   6.960  -4.830
   46    HD2  TYR  14           2HD      TYR  14   6.924   3.865  -1.939
   47    HE1  TYR  14           1HE      TYR  14   8.402   8.394  -3.156
   48    HE2  TYR  14           2HE      TYR  14   8.009   5.287  -0.259
   49    HH   TYR  14           HH       TYR  14   8.545   8.623  -0.741
   50    HA   PRO  15           HA       PRO  15   4.306   3.200  -9.076
   51   1HB   PRO  15          2HB       PRO  15   6.835   1.930  -9.817
   52   2HB   PRO  15          1HB       PRO  15   5.817   3.023 -10.757
   53   1HG   PRO  15          2HG       PRO  15   8.229   3.759  -9.784
   54   2HG   PRO  15          1HG       PRO  15   6.888   4.902  -9.979
   55   1HD   PRO  15          2HD       PRO  15   7.867   3.532  -7.503
   56   2HD   PRO  15          1HD       PRO  15   7.333   5.211  -7.726
   57    H    TYR  16           H        TYR  16   4.070   2.125  -6.563
   58    HA   TYR  16           HA       TYR  16   3.678   0.176  -5.446
   59   1HB   TYR  16          2HB       TYR  16   2.294  -0.174  -7.462
   60   2HB   TYR  16          1HB       TYR  16   3.651  -0.979  -8.231
   61    HD1  TYR  16           1HD      TYR  16   1.784  -1.255  -4.983
   62    HD2  TYR  16           2HD      TYR  16   3.511  -3.269  -8.310
   63    HE1  TYR  16           1HE      TYR  16   0.975  -3.401  -4.096
   64    HE2  TYR  16           2HE      TYR  16   2.708  -5.416  -7.434
   65    HH   TYR  16           HH       TYR  16   1.816  -5.961  -4.422
   66    H    GLU  17           H        GLU  17   5.578  -1.050  -8.112
   67    HA   GLU  17           HA       GLU  17   6.948  -3.031  -6.836
   68   1HB   GLU  17          2HB       GLU  17   7.087  -1.742  -9.347
   69   2HB   GLU  17          1HB       GLU  17   8.728  -1.795  -8.716
   70   1HG   GLU  17          2HG       GLU  17   7.699  -4.328  -8.218
   71   2HG   GLU  17          1HG       GLU  17   7.109  -3.906  -9.825
   72    H    MET  18           H        MET  18   7.491   0.377  -6.628
   73    HA   MET  18           HA       MET  18  10.147   0.370  -5.726
   74   1HB   MET  18          2HB       MET  18   8.028   2.279  -6.014
   75   2HB   MET  18          1HB       MET  18   8.773   2.487  -4.436
   76   1HG   MET  18          2HG       MET  18  10.650   2.178  -6.672
   77   2HG   MET  18          1HG       MET  18   9.659   3.635  -6.711
   78   1HE   MET  18          1HE       MET  18  10.792   5.974  -5.112
   79   2HE   MET  18          2HE       MET  18  11.149   5.198  -6.655
   80   3HE   MET  18          3HE       MET  18  12.450   5.523  -5.509
   81    H    LEU  19           H        LEU  19   7.168  -0.428  -4.233
   82    HA   LEU  19           HA       LEU  19   8.406  -0.583  -1.570
   83   1HB   LEU  19          2HB       LEU  19   5.493  -0.771  -2.299
   84   2HB   LEU  19          1HB       LEU  19   6.168  -0.577  -0.689
   85    HG   LEU  19           HG       LEU  19   6.861   1.561  -2.592
   86   1HD1  LEU  19          1HD1      LEU  19   4.826   2.252  -3.179
   87   2HD1  LEU  19          2HD1      LEU  19   4.201   2.025  -1.547
   88   3HD1  LEU  19          3HD1      LEU  19   4.239   0.670  -2.669
   89   1HD2  LEU  19          1HD2      LEU  19   7.437   2.323  -0.570
   90   2HD2  LEU  19          2HD2      LEU  19   6.414   1.155   0.262
   91   3HD2  LEU  19          3HD2      LEU  19   5.719   2.657  -0.348
   92    H    VAL  20           H        VAL  20   6.722  -2.339  -4.067
   93    HA   VAL  20           HA       VAL  20   6.214  -4.736  -2.691
   94    HB   VAL  20           HB       VAL  20   6.737  -4.563  -5.644
   95   1HG1  VAL  20          1HG1      VAL  20   6.274  -6.735  -5.320
   96   2HG1  VAL  20          2HG1      VAL  20   4.607  -6.171  -5.319
   97   3HG1  VAL  20          3HG1      VAL  20   5.447  -6.455  -3.794
   98   1HG2  VAL  20          1HG2      VAL  20   4.926  -2.950  -4.247
   99   2HG2  VAL  20          2HG2      VAL  20   3.965  -4.253  -4.932
  100   3HG2  VAL  20          3HG2      VAL  20   4.966  -3.255  -5.983
  101    H    VAL  21           H        VAL  21   8.294  -4.926  -1.537
  102    HA   VAL  21           HA       VAL  21  10.610  -5.693  -3.026
  103    HB   VAL  21           HB       VAL  21  10.130  -5.967  -0.061
  104   1HG1  VAL  21          1HG1      VAL  21  12.019  -7.271  -1.077
  105   2HG1  VAL  21          2HG1      VAL  21  12.495  -6.111   0.163
  106   3HG1  VAL  21          3HG1      VAL  21  12.742  -5.732  -1.542
  107   1HG2  VAL  21          1HG2      VAL  21  10.067  -3.617  -1.406
  108   2HG2  VAL  21          2HG2      VAL  21  11.788  -3.751  -1.050
  109   3HG2  VAL  21          3HG2      VAL  21  10.610  -3.794   0.262
  110    H    THR  22           H        THR  22  10.788  -7.637  -3.938
  111    HA   THR  22           HA       THR  22   9.290  -9.869  -2.890
  112    HB   THR  22           HB       THR  22  10.807 -10.642  -5.141
  113    HG1  THR  22           1HG      THR  22   9.567  -8.117  -5.393
  114   1HG2  THR  22          1HG2      THR  22   8.861 -11.436  -5.862
  115   2HG2  THR  22          2HG2      THR  22   8.059  -9.874  -5.692
  116   3HG2  THR  22          3HG2      THR  22   8.235 -10.934  -4.292
  117    H    ASN  23           H        ASN  23  10.871  -9.611  -0.986
  118    HA   ASN  23           HA       ASN  23  12.521 -11.852  -0.906
  119   1HB   ASN  23          2HB       ASN  23  13.816  -9.936  -2.306
  120   2HB   ASN  23          1HB       ASN  23  14.337  -9.528  -0.674
  121   1HD2  ASN  23          1HD2      ASN  23  15.141 -11.227  -3.328
  122   2HD2  ASN  23          2HD2      ASN  23  16.134 -12.450  -2.618
  123    H    LYS  24           H        LYS  24  11.704 -12.288   1.073
  124    HA   LYS  24           HA       LYS  24  11.173 -10.499   3.116
  125   1HB   LYS  24          2HB       LYS  24  11.538 -13.422   2.907
  126   2HB   LYS  24          1HB       LYS  24  11.751 -12.747   4.516
  127   1HG   LYS  24          2HG       LYS  24   9.544 -12.982   4.701
  128   2HG   LYS  24          1HG       LYS  24   9.449 -11.532   3.701
  129   1HD   LYS  24          2HD       LYS  24   8.700 -12.669   1.907
  130   2HD   LYS  24          1HD       LYS  24   9.773 -14.038   2.204
  131   1HE   LYS  24          2HE       LYS  24   7.644 -13.736   4.190
  132   2HE   LYS  24          1HE       LYS  24   7.060 -14.044   2.555
  133   1HZ   LYS  24          1HZ       LYS  24   8.662 -15.951   2.504
  134   2HZ   LYS  24          2HZ       LYS  24   7.369 -16.131   3.580
  135   3HZ   LYS  24          3HZ       LYS  24   8.902 -15.718   4.162
  136    H    GLY  25           H        GLY  25  12.274 -10.269   5.215
  137   1HA   GLY  25          2HA       GLY  25  14.623 -10.868   6.178
  138   2HA   GLY  25          1HA       GLY  25  15.159  -9.940   4.787
  139    H    ARG  26           H        ARG  26  16.182  -8.697   6.606
  140    HA   ARG  26           HA       ARG  26  14.359  -6.942   8.007
  141   1HB   ARG  26          2HB       ARG  26  16.344  -6.194   9.247
  142   2HB   ARG  26          1HB       ARG  26  16.145  -7.939   9.319
  143   1HG   ARG  26          2HG       ARG  26  17.838  -6.982   7.121
  144   2HG   ARG  26          1HG       ARG  26  18.466  -6.673   8.740
  145   1HD   ARG  26          2HD       ARG  26  17.765  -9.192   9.109
  146   2HD   ARG  26          1HD       ARG  26  17.949  -9.257   7.357
  147    HE   ARG  26           HE       ARG  26  20.040  -9.018   9.315
  148   1HH1  ARG  26          1HH1      ARG  26  19.149  -8.435   5.992
  149   2HH1  ARG  26          2HH1      ARG  26  20.784  -8.446   5.421
  150   1HH2  ARG  26          1HH2      ARG  26  22.190  -9.033   8.567
  151   2HH2  ARG  26          2HH2      ARG  26  22.511  -8.785   6.883
  152    H    THR  27           H        THR  27  14.527  -6.612   5.195
  153    HA   THR  27           HA       THR  27  16.277  -4.522   4.486
  154    HB   THR  27           HB       THR  27  15.579  -5.523   2.583
  155    HG1  THR  27           1HG      THR  27  15.056  -3.372   2.283
  156   1HG2  THR  27          1HG2      THR  27  13.169  -6.127   2.115
  157   2HG2  THR  27          2HG2      THR  27  12.873  -5.841   3.829
  158   3HG2  THR  27          3HG2      THR  27  14.005  -7.096   3.328
  159    H    LYS  28           H        LYS  28  15.622  -2.385   3.778
  160    HA   LYS  28           HA       LYS  28  13.639  -1.229   5.629
  161   1HB   LYS  28          2HB       LYS  28  16.179  -0.076   4.482
  162   2HB   LYS  28          1HB       LYS  28  14.967   0.909   5.290
  163   1HG   LYS  28          2HG       LYS  28  15.238  -0.604   7.287
  164   2HG   LYS  28          1HG       LYS  28  16.639  -1.293   6.465
  165   1HD   LYS  28          2HD       LYS  28  17.128   1.386   6.260
  166   2HD   LYS  28          1HD       LYS  28  16.329   1.282   7.830
  167   1HE   LYS  28          2HE       LYS  28  18.209   0.532   8.742
  168   2HE   LYS  28          1HE       LYS  28  18.192  -0.853   7.651
  169   1HZ   LYS  28          1HZ       LYS  28  20.244   0.390   7.446
  170   2HZ   LYS  28          2HZ       LYS  28  19.391   1.800   7.068
  171   3HZ   LYS  28          3HZ       LYS  28  19.362   0.485   6.005
  172    H    LEU  29           H        LEU  29  12.079   0.125   4.864
  173    HA   LEU  29           HA       LEU  29  11.527   0.019   2.064
  174   1HB   LEU  29          2HB       LEU  29  10.106   0.890   4.507
  175   2HB   LEU  29          1HB       LEU  29   9.619   1.663   3.008
  176    HG   LEU  29           HG       LEU  29   9.632  -1.320   3.482
  177   1HD1  LEU  29          1HD1      LEU  29   7.627   0.789   3.963
  178   2HD1  LEU  29          2HD1      LEU  29   7.837  -0.781   4.741
  179   3HD1  LEU  29          3HD1      LEU  29   7.047  -0.675   3.168
  180   1HD2  LEU  29          1HD2      LEU  29   8.456  -1.479   1.394
  181   2HD2  LEU  29          2HD2      LEU  29   9.953  -0.589   1.125
  182   3HD2  LEU  29          3HD2      LEU  29   8.420   0.276   1.228
  183    HA   PRO  30           HA       PRO  30  12.805   3.898   0.400
  184   1HB   PRO  30          2HB       PRO  30   9.947   4.792   0.404
  185   2HB   PRO  30          1HB       PRO  30  11.148   4.874  -0.893
  186   1HG   PRO  30          2HG       PRO  30   9.268   3.002  -0.933
  187   2HG   PRO  30          1HG       PRO  30  10.932   2.615  -1.409
  188   1HD   PRO  30          2HD       PRO  30   9.473   1.939   1.099
  189   2HD   PRO  30          1HD       PRO  30  10.710   1.013   0.228
  190    HA   PRO  31           HA       PRO  31  13.077   6.875   3.645
  191   1HB   PRO  31          2HB       PRO  31  13.253   9.235   2.302
  192   2HB   PRO  31          1HB       PRO  31  14.574   8.063   2.371
  193   1HG   PRO  31          2HG       PRO  31  12.564   8.526   0.201
  194   2HG   PRO  31          1HG       PRO  31  14.310   8.240   0.068
  195   1HD   PRO  31          2HD       PRO  31  12.488   6.292  -0.367
  196   2HD   PRO  31          1HD       PRO  31  14.084   5.959   0.334
  197    H    GLY  32           H        GLY  32  11.112   6.780   4.711
  198   1HA   GLY  32          2HA       GLY  32   9.358   8.076   5.620
  199   2HA   GLY  32          1HA       GLY  32   9.290   8.992   4.123
  200    H    VAL  33           H        VAL  33   8.726   5.692   5.333
  201    HA   VAL  33           HA       VAL  33   6.387   5.556   3.630
  202    HB   VAL  33           HB       VAL  33   8.289   3.349   4.225
  203   1HG1  VAL  33          1HG1      VAL  33   5.581   3.336   2.984
  204   2HG1  VAL  33          2HG1      VAL  33   6.258   2.236   4.182
  205   3HG1  VAL  33          3HG1      VAL  33   6.784   2.143   2.502
  206   1HG2  VAL  33          1HG2      VAL  33   8.026   5.241   2.083
  207   2HG2  VAL  33          2HG2      VAL  33   7.965   3.582   1.494
  208   3HG2  VAL  33          3HG2      VAL  33   9.349   4.135   2.439
  209    H    ASP  34           H        ASP  34   4.644   4.377   4.318
  210    HA   ASP  34           HA       ASP  34   4.491   4.144   7.228
  211   1HB   ASP  34          2HB       ASP  34   2.976   5.570   5.454
  212   2HB   ASP  34          1HB       ASP  34   2.000   4.114   5.665
  213    H    ARG  35           H        ARG  35   5.082   2.042   7.607
  214    HA   ARG  35           HA       ARG  35   4.589  -0.204   6.095
  215   1HB   ARG  35          2HB       ARG  35   5.863   0.183   8.393
  216   2HB   ARG  35          1HB       ARG  35   4.366  -0.456   9.057
  217   1HG   ARG  35          2HG       ARG  35   5.437  -2.020   6.833
  218   2HG   ARG  35          1HG       ARG  35   6.494  -1.948   8.242
  219   1HD   ARG  35          2HD       ARG  35   3.821  -2.373   9.131
  220   2HD   ARG  35          1HD       ARG  35   4.177  -3.533   7.853
  221    HE   ARG  35           HE       ARG  35   5.313  -3.456  10.493
  222   1HH1  ARG  35          1HH1      ARG  35   5.773  -4.538   7.208
  223   2HH1  ARG  35          2HH1      ARG  35   6.853  -5.818   7.648
  224   1HH2  ARG  35          1HH2      ARG  35   6.737  -5.135  11.074
  225   2HH2  ARG  35          2HH2      ARG  35   7.403  -6.156   9.843
  226    H    MET  36           H        MET  36   2.497   1.268   8.541
  227    HA   MET  36           HA       MET  36   0.428  -0.681   8.068
  228   1HB   MET  36          2HB       MET  36   0.610   1.676   9.934
  229   2HB   MET  36          1HB       MET  36  -0.807   0.642   9.815
  230   1HG   MET  36          2HG       MET  36   0.444  -1.257  10.573
  231   2HG   MET  36          1HG       MET  36   1.947  -0.336  10.530
  232   1HE   MET  36          1HE       MET  36   1.702   2.342  12.616
  233   2HE   MET  36          2HE       MET  36   2.763   1.122  11.912
  234   3HE   MET  36          3HE       MET  36   2.449   1.120  13.647
  235    H    ARG  37           H        ARG  37   1.382   1.735   6.251
  236    HA   ARG  37           HA       ARG  37  -1.244   2.206   5.156
  237   1HB   ARG  37          2HB       ARG  37  -0.341   4.031   7.020
  238   2HB   ARG  37          1HB       ARG  37   0.135   4.768   5.498
  239   1HG   ARG  37          2HG       ARG  37  -1.951   5.647   5.735
  240   2HG   ARG  37          1HG       ARG  37  -2.340   4.189   4.821
  241   1HD   ARG  37          2HD       ARG  37  -3.625   3.444   6.473
  242   2HD   ARG  37          1HD       ARG  37  -2.297   3.587   7.623
  243    HE   ARG  37           HE       ARG  37  -4.486   5.420   7.254
  244   1HH1  ARG  37          1HH1      ARG  37  -1.227   5.044   8.446
  245   2HH1  ARG  37          2HH1      ARG  37  -1.336   6.387   9.532
  246   1HH2  ARG  37          1HH2      ARG  37  -4.630   7.187   8.682
  247   2HH2  ARG  37          2HH2      ARG  37  -3.266   7.605   9.667
  248    H    LEU  38           H        LEU  38   0.566   0.789   3.928
  249    HA   LEU  38           HA       LEU  38   2.446   2.227   2.378
  250   1HB   LEU  38          2HB       LEU  38   1.546  -0.509   2.713
  251   2HB   LEU  38          1HB       LEU  38   1.847  -0.141   1.034
  252    HG   LEU  38           HG       LEU  38   3.878  -1.001   1.713
  253   1HD1  LEU  38          1HD1      LEU  38   4.105   1.951   2.236
  254   2HD1  LEU  38          2HD1      LEU  38   4.277   1.142   0.678
  255   3HD1  LEU  38          3HD1      LEU  38   5.462   0.860   1.954
  256   1HD2  LEU  38          1HD2      LEU  38   3.085   0.064   4.332
  257   2HD2  LEU  38          2HD2      LEU  38   4.817   0.091   4.001
  258   3HD2  LEU  38          3HD2      LEU  38   3.926  -1.429   3.917
  259    H    GLU  39           H        GLU  39  -0.853   1.364   1.994
  260    HA   GLU  39           HA       GLU  39  -1.220   1.573  -0.745
  261   1HB   GLU  39          2HB       GLU  39  -2.925   1.756   1.638
  262   2HB   GLU  39          1HB       GLU  39  -3.549   2.622   0.242
  263   1HG   GLU  39          2HG       GLU  39  -4.475   0.608  -0.176
  264   2HG   GLU  39          1HG       GLU  39  -2.919   0.344  -0.964
  265    H    ARG  40           H        ARG  40  -0.587   4.054   1.570
  266    HA   ARG  40           HA       ARG  40  -1.610   6.213   0.052
  267   1HB   ARG  40          2HB       ARG  40  -0.466   5.857   2.617
  268   2HB   ARG  40          1HB       ARG  40   0.482   7.084   1.789
  269   1HG   ARG  40          2HG       ARG  40  -2.511   7.211   1.890
  270   2HG   ARG  40          1HG       ARG  40  -1.502   7.858   3.187
  271   1HD   ARG  40          2HD       ARG  40  -0.545   9.472   1.794
  272   2HD   ARG  40          1HD       ARG  40  -1.041   8.632   0.327
  273    HE   ARG  40           HE       ARG  40  -3.041   9.728   0.431
  274   1HH1  ARG  40          1HH1      ARG  40  -1.523   9.896   3.569
  275   2HH1  ARG  40          2HH1      ARG  40  -2.705  10.980   4.221
  276   1HH2  ARG  40          1HH2      ARG  40  -4.597  11.153   1.287
  277   2HH2  ARG  40          2HH2      ARG  40  -4.453  11.690   2.927
  278    H    HIS  41           H        HIS  41   0.975   4.232  -0.502
  279    HA   HIS  41           HA       HIS  41   2.628   6.304  -1.740
  280   1HB   HIS  41          2HB       HIS  41   3.096   3.398  -1.111
  281   2HB   HIS  41          1HB       HIS  41   4.192   4.318  -2.138
  282    HD1  HIS  41           1HD      HIS  41   5.491   6.303  -0.965
  283    HD2  HIS  41           2HD      HIS  41   3.387   3.795   1.583
  284    HE1  HIS  41           1HE      HIS  41   6.381   6.777   1.341
  285    HE2  HIS  41           2HE      HIS  41   4.885   5.450   2.865
  286    H    LEU  42           H        LEU  42   0.639   3.517  -2.509
  287    HA   LEU  42           HA       LEU  42   1.327   3.090  -5.153
  288   1HB   LEU  42          2HB       LEU  42  -0.954   2.560  -3.393
  289   2HB   LEU  42          1HB       LEU  42  -1.361   2.647  -5.085
  290    HG   LEU  42           HG       LEU  42   0.319   0.644  -3.651
  291   1HD1  LEU  42          1HD1      LEU  42  -2.064   0.739  -5.420
  292   2HD1  LEU  42          2HD1      LEU  42  -1.788  -0.189  -3.940
  293   3HD1  LEU  42          3HD1      LEU  42  -1.052  -0.708  -5.456
  294   1HD2  LEU  42          1HD2      LEU  42   0.761   1.666  -6.399
  295   2HD2  LEU  42          2HD2      LEU  42   0.755  -0.086  -6.192
  296   3HD2  LEU  42          3HD2      LEU  42   1.889   0.907  -5.276
  297    H    SER  43           H        SER  43   0.879   4.074  -7.027
  298    HA   SER  43           HA       SER  43  -0.209   6.706  -6.992
  299   1HB   SER  43          2HB       SER  43   1.301   5.170  -8.805
  300   2HB   SER  43          1HB       SER  43  -0.195   5.624  -9.622
  301    HG   SER  43           HG       SER  43   0.306   7.717  -9.429
  302    H    ALA  44           H        ALA  44  -2.047   7.329  -8.346
  303    HA   ALA  44           HA       ALA  44  -4.357   5.947  -7.600
  304   1HB   ALA  44          1HB       ALA  44  -4.094   7.851  -9.920
  305   2HB   ALA  44          2HB       ALA  44  -4.261   8.355  -8.237
  306   3HB   ALA  44          3HB       ALA  44  -5.566   7.467  -9.026
  307    H    GLU  45           H        GLU  45  -2.351   5.743 -10.429
  308    HA   GLU  45           HA       GLU  45  -4.114   4.176 -11.963
  309   1HB   GLU  45          2HB       GLU  45  -1.186   4.817 -12.171
  310   2HB   GLU  45          1HB       GLU  45  -1.960   3.685 -13.273
  311   1HG   GLU  45          2HG       GLU  45  -3.615   5.905 -13.310
  312   2HG   GLU  45          1HG       GLU  45  -1.985   6.577 -13.264
  313    H    ASP  46           H        ASP  46  -1.908   3.561  -9.392
  314    HA   ASP  46           HA       ASP  46  -1.800   0.765 -10.038
  315   1HB   ASP  46          2HB       ASP  46  -0.388   2.383  -7.934
  316   2HB   ASP  46          1HB       ASP  46  -0.328   0.619  -7.966
  317    H    PHE  47           H        PHE  47  -2.979   2.868  -7.416
  318    HA   PHE  47           HA       PHE  47  -3.925   0.798  -5.793
  319   1HB   PHE  47          2HB       PHE  47  -3.845   3.085  -4.968
  320   2HB   PHE  47          1HB       PHE  47  -5.049   3.573  -6.161
  321    HD1  PHE  47           1HD      PHE  47  -7.358   2.538  -6.028
  322    HD2  PHE  47           2HD      PHE  47  -4.489   2.244  -2.897
  323    HE1  PHE  47           1HE      PHE  47  -9.139   1.976  -4.452
  324    HE2  PHE  47           2HE      PHE  47  -6.272   1.662  -1.317
  325    HZ   PHE  47           HZ       PHE  47  -8.613   1.524  -2.093
  326    H    SER  48           H        SER  48  -5.629   2.737  -8.101
  327    HA   SER  48           HA       SER  48  -8.063   1.478  -8.105
  328   1HB   SER  48          2HB       SER  48  -6.597   2.984 -10.236
  329   2HB   SER  48          1HB       SER  48  -8.176   2.274 -10.567
  330    HG   SER  48           HG       SER  48  -9.001   3.496  -8.816
  331    H    ARG  49           H        ARG  49  -5.146   0.497  -9.677
  332    HA   ARG  49           HA       ARG  49  -6.501  -1.647 -11.024
  333   1HB   ARG  49          2HB       ARG  49  -3.967  -0.257 -11.382
  334   2HB   ARG  49          1HB       ARG  49  -3.849  -1.996 -11.602
  335   1HG   ARG  49          2HG       ARG  49  -4.927  -1.939 -13.555
  336   2HG   ARG  49          1HG       ARG  49  -6.145  -0.814 -12.953
  337   1HD   ARG  49          2HD       ARG  49  -4.939   0.254 -14.725
  338   2HD   ARG  49          1HD       ARG  49  -4.490   1.021 -13.204
  339    HE   ARG  49           HE       ARG  49  -2.346   0.247 -13.474
  340   1HH1  ARG  49          1HH1      ARG  49  -4.443  -1.361 -15.754
  341   2HH1  ARG  49          2HH1      ARG  49  -3.138  -2.072 -16.643
  342   1HH2  ARG  49          1HH2      ARG  49  -0.629  -0.689 -14.642
  343   2HH2  ARG  49          2HH2      ARG  49  -0.974  -1.693 -16.012
  344    H    VAL  50           H        VAL  50  -4.674  -1.087  -8.255
  345    HA   VAL  50           HA       VAL  50  -3.755  -3.762  -7.883
  346    HB   VAL  50           HB       VAL  50  -3.547  -1.228  -6.337
  347   1HG1  VAL  50          1HG1      VAL  50  -2.315  -3.647  -5.176
  348   2HG1  VAL  50          2HG1      VAL  50  -4.020  -3.378  -4.843
  349   3HG1  VAL  50          3HG1      VAL  50  -2.827  -2.165  -4.388
  350   1HG2  VAL  50          1HG2      VAL  50  -1.594  -1.200  -7.313
  351   2HG2  VAL  50          2HG2      VAL  50  -1.959  -2.699  -8.144
  352   3HG2  VAL  50          3HG2      VAL  50  -1.147  -2.725  -6.577
  353    H    PHE  51           H        PHE  51  -6.170  -1.656  -6.361
  354    HA   PHE  51           HA       PHE  51  -7.234  -4.007  -4.977
  355   1HB   PHE  51          2HB       PHE  51  -7.772  -1.108  -4.328
  356   2HB   PHE  51          1HB       PHE  51  -8.167  -2.514  -3.342
  357    HD1  PHE  51           1HD      PHE  51  -5.676  -0.064  -4.158
  358    HD2  PHE  51           2HD      PHE  51  -6.287  -3.888  -2.393
  359    HE1  PHE  51           1HE      PHE  51  -3.505   0.121  -3.016
  360    HE2  PHE  51           2HE      PHE  51  -4.114  -3.716  -1.263
  361    HZ   PHE  51           HZ       PHE  51  -2.715  -1.712  -1.568
  362    H    ALA  52           H        ALA  52  -7.787  -2.350  -7.706
  363    HA   ALA  52           HA       ALA  52  -9.522  -2.088  -9.125
  364   1HB   ALA  52          1HB       ALA  52  -9.598  -4.560  -8.180
  365   2HB   ALA  52          2HB       ALA  52 -10.756  -3.954  -9.369
  366   3HB   ALA  52          3HB       ALA  52 -11.194  -4.020  -7.658
  367    H    MET  53           H        MET  53  -9.457  -0.236  -7.005
  368    HA   MET  53           HA       MET  53 -12.155   0.664  -7.134
  369   1HB   MET  53          2HB       MET  53 -12.769   0.666  -4.889
  370   2HB   MET  53          1HB       MET  53 -12.023  -0.908  -5.105
  371   1HG   MET  53          2HG       MET  53  -9.900   0.137  -4.207
  372   2HG   MET  53          1HG       MET  53 -10.902   1.510  -3.737
  373   1HE   MET  53          1HE       MET  53 -10.131  -2.030  -3.644
  374   2HE   MET  53          2HE       MET  53 -11.132  -2.780  -2.401
  375   3HE   MET  53          3HE       MET  53  -9.631  -1.970  -1.953
  376    H    SER  54           H        SER  54 -12.335   2.867  -5.880
  377    HA   SER  54           HA       SER  54 -10.247   4.488  -6.912
  378   1HB   SER  54          2HB       SER  54 -11.522   6.358  -5.885
  379   2HB   SER  54          1HB       SER  54 -12.523   5.313  -6.892
  380    HG   SER  54           HG       SER  54 -13.698   4.946  -5.205
  381    HA   PRO  55           HA       PRO  55  -7.228   4.495  -3.705
  382   1HB   PRO  55          2HB       PRO  55  -6.870   7.313  -3.807
  383   2HB   PRO  55          1HB       PRO  55  -5.886   6.089  -4.613
  384   1HG   PRO  55          2HG       PRO  55  -8.150   7.703  -5.682
  385   2HG   PRO  55          1HG       PRO  55  -6.710   7.097  -6.518
  386   1HD   PRO  55          2HD       PRO  55  -9.085   5.983  -6.907
  387   2HD   PRO  55          1HD       PRO  55  -7.626   4.972  -6.782
  388    H    GLU  56           H        GLU  56  -9.715   6.910  -3.832
  389    HA   GLU  56           HA       GLU  56  -9.730   7.679  -1.152
  390   1HB   GLU  56          2HB       GLU  56 -12.083   8.420  -1.792
  391   2HB   GLU  56          1HB       GLU  56 -10.753   9.169  -2.647
  392   1HG   GLU  56          2HG       GLU  56 -11.662   6.803  -3.996
  393   2HG   GLU  56          1HG       GLU  56 -13.001   7.908  -3.712
  394    H    GLU  57           H        GLU  57 -11.526   5.296  -3.017
  395    HA   GLU  57           HA       GLU  57 -13.442   4.497  -1.321
  396   1HB   GLU  57          2HB       GLU  57 -11.883   3.206  -3.422
  397   2HB   GLU  57          1HB       GLU  57 -12.574   2.099  -2.265
  398   1HG   GLU  57          2HG       GLU  57 -14.315   4.195  -3.436
  399   2HG   GLU  57          1HG       GLU  57 -13.869   2.807  -4.429
  400    H    PHE  58           H        PHE  58 -10.096   3.874  -1.198
  401    HA   PHE  58           HA       PHE  58 -10.124   2.060   0.991
  402   1HB   PHE  58          2HB       PHE  58  -8.203   2.937  -0.855
  403   2HB   PHE  58          1HB       PHE  58  -7.610   3.448   0.715
  404    HD1  PHE  58           1HD      PHE  58  -6.095   2.004   1.628
  405    HD2  PHE  58           2HD      PHE  58  -9.326   0.412  -0.619
  406    HE1  PHE  58           1HE      PHE  58  -5.285  -0.262   2.078
  407    HE2  PHE  58           2HE      PHE  58  -8.521  -1.858  -0.173
  408    HZ   PHE  58           HZ       PHE  58  -6.506  -2.186   1.185
  409    H    GLY  59           H        GLY  59  -9.413   5.498   0.551
  410   1HA   GLY  59          2HA       GLY  59  -8.651   6.136   3.150
  411   2HA   GLY  59          1HA       GLY  59  -9.474   7.239   2.057
  412    H    LYS  60           H        LYS  60 -11.757   5.173   2.028
  413    HA   LYS  60           HA       LYS  60 -13.011   6.162   4.422
  414   1HB   LYS  60          2HB       LYS  60 -14.127   6.827   2.386
  415   2HB   LYS  60          1HB       LYS  60 -14.236   5.148   1.876
  416   1HG   LYS  60          2HG       LYS  60 -15.445   5.432   4.451
  417   2HG   LYS  60          1HG       LYS  60 -16.107   6.642   3.349
  418   1HD   LYS  60          2HD       LYS  60 -17.413   4.580   3.275
  419   2HD   LYS  60          1HD       LYS  60 -16.623   4.885   1.727
  420   1HE   LYS  60          2HE       LYS  60 -14.806   3.329   2.426
  421   2HE   LYS  60          1HE       LYS  60 -15.752   2.945   3.865
  422   1HZ   LYS  60          1HZ       LYS  60 -17.161   1.672   2.697
  423   2HZ   LYS  60          2HZ       LYS  60 -15.906   1.594   1.567
  424   3HZ   LYS  60          3HZ       LYS  60 -17.169   2.696   1.350
  425    H    LEU  61           H        LEU  61 -12.054   3.265   2.889
  426    HA   LEU  61           HA       LEU  61 -13.743   1.383   4.012
  427   1HB   LEU  61          2HB       LEU  61 -10.861   1.276   3.209
  428   2HB   LEU  61          1HB       LEU  61 -11.655  -0.122   3.891
  429    HG   LEU  61           HG       LEU  61 -12.766   1.273   1.482
  430   1HD1  LEU  61          1HD1      LEU  61 -11.244  -1.156   0.979
  431   2HD1  LEU  61          2HD1      LEU  61 -10.255   0.189   1.530
  432   3HD1  LEU  61          3HD1      LEU  61 -11.269   0.370   0.099
  433   1HD2  LEU  61          1HD2      LEU  61 -13.166  -1.359   2.835
  434   2HD2  LEU  61          2HD2      LEU  61 -13.509  -1.181   1.115
  435   3HD2  LEU  61          3HD2      LEU  61 -14.364  -0.185   2.293
  436    H    ALA  62           H        ALA  62 -12.434  -0.403   5.513
  437    HA   ALA  62           HA       ALA  62 -12.059   1.006   8.059
  438   1HB   ALA  62          1HB       ALA  62 -12.498  -1.957   7.714
  439   2HB   ALA  62          2HB       ALA  62 -13.836  -0.803   7.764
  440   3HB   ALA  62          3HB       ALA  62 -12.758  -0.960   9.150
  441    H    LEU  63           H        LEU  63 -10.693  -0.868   9.493
  442    HA   LEU  63           HA       LEU  63  -8.064  -0.701   8.275
  443   1HB   LEU  63          2HB       LEU  63  -9.005  -0.451  10.894
  444   2HB   LEU  63          1HB       LEU  63  -8.106  -1.957  10.877
  445    HG   LEU  63           HG       LEU  63  -6.668  -0.134  11.567
  446   1HD1  LEU  63          1HD1      LEU  63  -6.038  -2.013   9.744
  447   2HD1  LEU  63          2HD1      LEU  63  -4.879  -0.861  10.410
  448   3HD1  LEU  63          3HD1      LEU  63  -5.630  -0.552   8.845
  449   1HD2  LEU  63          1HD2      LEU  63  -7.259   1.111   8.885
  450   2HD2  LEU  63          2HD2      LEU  63  -6.161   1.735  10.117
  451   3HD2  LEU  63          3HD2      LEU  63  -7.896   1.676  10.429
  452    H    TRP  64           H        TRP  64 -10.480  -2.976   8.990
  453    HA   TRP  64           HA       TRP  64  -8.827  -5.268   8.783
  454   1HB   TRP  64          2HB       TRP  64 -11.041  -6.490   8.847
  455   2HB   TRP  64          1HB       TRP  64 -10.698  -5.470  10.241
  456    HD1  TRP  64           HD       TRP  64 -12.112  -3.130  10.412
  457    HE1  TRP  64           1HE      TRP  64 -14.430  -2.518   9.456
  458    HE3  TRP  64           3HE      TRP  64 -12.584  -6.819   6.939
  459    HZ2  TRP  64           2HZ      TRP  64 -16.219  -3.473   7.530
  460    HZ3  TRP  64           3HZ      TRP  64 -14.634  -6.914   5.573
  461    HH2  TRP  64           HH       TRP  64 -16.410  -5.261   5.872
  462    H    LYS  65           H        LYS  65 -11.500  -3.968   6.808
  463    HA   LYS  65           HA       LYS  65 -11.198  -5.761   4.704
  464   1HB   LYS  65          2HB       LYS  65 -12.270  -3.877   3.313
  465   2HB   LYS  65          1HB       LYS  65 -13.191  -4.524   4.656
  466   1HG   LYS  65          2HG       LYS  65 -11.966  -2.490   5.887
  467   2HG   LYS  65          1HG       LYS  65 -12.042  -1.856   4.248
  468   1HD   LYS  65          2HD       LYS  65 -14.272  -2.588   6.097
  469   2HD   LYS  65          1HD       LYS  65 -14.047  -1.121   5.153
  470   1HE   LYS  65          2HE       LYS  65 -14.240  -2.974   3.183
  471   2HE   LYS  65          1HE       LYS  65 -15.291  -3.679   4.410
  472   1HZ   LYS  65          1HZ       LYS  65 -16.742  -1.927   4.306
  473   2HZ   LYS  65          2HZ       LYS  65 -16.232  -1.993   2.695
  474   3HZ   LYS  65          3HZ       LYS  65 -15.581  -0.834   3.739
  475    H    ARG  66           H        ARG  66  -9.709  -2.631   5.319
  476    HA   ARG  66           HA       ARG  66  -8.244  -2.396   2.948
  477   1HB   ARG  66          2HB       ARG  66  -8.180  -1.255   5.666
  478   2HB   ARG  66          1HB       ARG  66  -6.667  -1.194   4.796
  479   1HG   ARG  66          2HG       ARG  66  -8.207  -0.225   2.883
  480   2HG   ARG  66          1HG       ARG  66  -9.233   0.197   4.255
  481   1HD   ARG  66          2HD       ARG  66  -7.591   1.967   3.525
  482   2HD   ARG  66          1HD       ARG  66  -7.539   1.528   5.233
  483    HE   ARG  66           HE       ARG  66  -5.690  -0.070   3.922
  484   1HH1  ARG  66          1HH1      ARG  66  -6.182   3.328   4.556
  485   2HH1  ARG  66          2HH1      ARG  66  -4.493   3.706   4.532
  486   1HH2  ARG  66          1HH2      ARG  66  -3.467   0.426   3.891
  487   2HH2  ARG  66          2HH2      ARG  66  -2.950   2.059   4.153
  488    H    ASN  67           H        ASN  67  -7.597  -4.005   6.041
  489    HA   ASN  67           HA       ASN  67  -4.945  -4.721   5.490
  490   1HB   ASN  67          2HB       ASN  67  -7.002  -5.352   7.493
  491   2HB   ASN  67          1HB       ASN  67  -5.812  -6.618   7.236
  492   1HD2  ASN  67          1HD2      ASN  67  -6.181  -5.089   9.604
  493   2HD2  ASN  67          2HD2      ASN  67  -4.723  -4.205   9.884
  494    H    GLU  68           H        GLU  68  -8.022  -6.494   5.158
  495    HA   GLU  68           HA       GLU  68  -6.902  -8.847   4.169
  496   1HB   GLU  68          2HB       GLU  68  -9.585  -7.703   4.401
  497   2HB   GLU  68          1HB       GLU  68  -9.399  -8.800   3.042
  498   1HG   GLU  68          2HG       GLU  68  -8.381  -9.683   5.683
  499   2HG   GLU  68          1HG       GLU  68 -10.127  -9.636   5.437
  500    H    LEU  69           H        LEU  69  -7.434  -5.828   2.749
  501    HA   LEU  69           HA       LEU  69  -7.315  -6.800   0.013
  502   1HB   LEU  69          2HB       LEU  69  -7.624  -4.061   1.232
  503   2HB   LEU  69          1HB       LEU  69  -7.462  -4.324  -0.500
  504    HG   LEU  69           HG       LEU  69  -9.621  -5.632   1.130
  505   1HD1  LEU  69          1HD1      LEU  69  -9.523  -2.993   1.035
  506   2HD1  LEU  69          2HD1      LEU  69 -11.043  -3.869   0.858
  507   3HD1  LEU  69          3HD1      LEU  69 -10.201  -3.267  -0.569
  508   1HD2  LEU  69          1HD2      LEU  69  -8.686  -6.045  -1.430
  509   2HD2  LEU  69          2HD2      LEU  69 -10.113  -5.031  -1.664
  510   3HD2  LEU  69          3HD2      LEU  69 -10.250  -6.561  -0.793
  511    H    LYS  70           H        LYS  70  -5.496  -4.522   2.039
  512    HA   LYS  70           HA       LYS  70  -3.399  -4.000   0.357
  513   1HB   LYS  70          2HB       LYS  70  -2.458  -2.980   2.156
  514   2HB   LYS  70          1HB       LYS  70  -4.065  -3.194   2.803
  515   1HG   LYS  70          2HG       LYS  70  -3.151  -5.403   3.761
  516   2HG   LYS  70          1HG       LYS  70  -1.566  -4.690   3.452
  517   1HD   LYS  70          2HD       LYS  70  -3.710  -3.262   5.006
  518   2HD   LYS  70          1HD       LYS  70  -2.538  -4.335   5.773
  519   1HE   LYS  70          2HE       LYS  70  -0.910  -2.807   5.658
  520   2HE   LYS  70          1HE       LYS  70  -1.300  -2.396   3.988
  521   1HZ   LYS  70          1HZ       LYS  70  -2.091  -1.096   6.438
  522   2HZ   LYS  70          2HZ       LYS  70  -3.357  -1.310   5.337
  523   3HZ   LYS  70          3HZ       LYS  70  -1.966  -0.469   4.871
  524    H    LYS  71           H        LYS  71  -4.042  -6.862   2.215
  525    HA   LYS  71           HA       LYS  71  -1.449  -7.966   1.969
  526   1HB   LYS  71          2HB       LYS  71  -3.935  -8.722   3.185
  527   2HB   LYS  71          1HB       LYS  71  -3.306 -10.072   2.252
  528   1HG   LYS  71          2HG       LYS  71  -1.269 -10.075   3.490
  529   2HG   LYS  71          1HG       LYS  71  -1.701  -8.570   4.303
  530   1HD   LYS  71          2HD       LYS  71  -3.284 -11.123   4.540
  531   2HD   LYS  71          1HD       LYS  71  -2.029 -10.635   5.680
  532   1HE   LYS  71          2HE       LYS  71  -3.362  -9.134   6.679
  533   2HE   LYS  71          1HE       LYS  71  -4.008  -8.551   5.146
  534   1HZ   LYS  71          1HZ       LYS  71  -5.163 -10.943   5.296
  535   2HZ   LYS  71          2HZ       LYS  71  -5.870  -9.530   5.901
  536   3HZ   LYS  71          3HZ       LYS  71  -5.047 -10.577   6.945
  537    H    LYS  72           H        LYS  72  -4.288  -7.940   0.036
  538    HA   LYS  72           HA       LYS  72  -3.584 -10.012  -1.710
  539   1HB   LYS  72          2HB       LYS  72  -5.672  -8.014  -1.543
  540   2HB   LYS  72          1HB       LYS  72  -5.123  -8.227  -3.199
  541   1HG   LYS  72          2HG       LYS  72  -6.194 -10.159  -3.395
  542   2HG   LYS  72          1HG       LYS  72  -5.515 -10.770  -1.886
  543   1HD   LYS  72          2HD       LYS  72  -7.491  -8.749  -1.345
  544   2HD   LYS  72          1HD       LYS  72  -8.167 -10.001  -2.388
  545   1HE   LYS  72          2HE       LYS  72  -6.595 -10.731   0.054
  546   2HE   LYS  72          1HE       LYS  72  -8.296 -10.287   0.183
  547   1HZ   LYS  72          1HZ       LYS  72  -7.830 -12.719  -0.062
  548   2HZ   LYS  72          2HZ       LYS  72  -7.317 -12.407  -1.643
  549   3HZ   LYS  72          3HZ       LYS  72  -8.916 -12.085  -1.194
  550    H    ALA  73           H        ALA  73  -2.782  -6.702  -1.431
  551    HA   ALA  73           HA       ALA  73  -1.368  -6.668  -3.953
  552   1HB   ALA  73          1HB       ALA  73  -2.858  -4.783  -3.338
  553   2HB   ALA  73          2HB       ALA  73  -1.194  -4.292  -3.662
  554   3HB   ALA  73          3HB       ALA  73  -1.771  -4.419  -1.999
  555    H    SER  74           H        SER  74  -0.782  -7.372  -0.708
  556    HA   SER  74           HA       SER  74   1.145  -7.945   0.365
  557   1HB   SER  74          2HB       SER  74   1.908  -8.381  -2.133
  558   2HB   SER  74          1HB       SER  74   2.902  -6.955  -1.839
  559    HG   SER  74           HG       SER  74   3.578  -8.133   0.137
  560    H    LEU  75           H        LEU  75  -0.006  -5.080  -0.061
  561    HA   LEU  75           HA       LEU  75   2.252  -3.404   0.559
  562   1HB   LEU  75          2HB       LEU  75  -0.698  -2.777   0.722
  563   2HB   LEU  75          1HB       LEU  75   0.611  -1.614   0.758
  564    HG   LEU  75           HG       LEU  75  -0.490  -3.140  -1.556
  565   1HD1  LEU  75          1HD1      LEU  75  -0.613  -1.043  -2.587
  566   2HD1  LEU  75          2HD1      LEU  75   0.523  -0.320  -1.448
  567   3HD1  LEU  75          3HD1      LEU  75  -1.103  -0.751  -0.917
  568   1HD2  LEU  75          1HD2      LEU  75   1.663  -3.755  -1.990
  569   2HD2  LEU  75          2HD2      LEU  75   2.352  -2.371  -1.141
  570   3HD2  LEU  75          3HD2      LEU  75   1.643  -2.160  -2.742
  571    H    PHE  76           H        PHE  76   0.450  -5.572   2.308
  572    HA   PHE  76           HA       PHE  76   0.087  -4.237   4.756
  573   1HB   PHE  76          2HB       PHE  76  -0.867  -6.518   3.861
  574   2HB   PHE  76          1HB       PHE  76   0.567  -7.188   4.632
  575    HD1  PHE  76           1HD      PHE  76  -2.691  -7.063   5.146
  576    HD2  PHE  76           2HD      PHE  76   0.842  -5.665   7.066
  577    HE1  PHE  76           1HE      PHE  76  -3.864  -7.074   7.307
  578    HE2  PHE  76           2HE      PHE  76  -0.327  -5.671   9.229
  579    HZ   PHE  76           HZ       PHE  76  -2.684  -6.378   9.352
  Start of MODEL   10
    1    HA   PRO   9           HA       PRO   9   0.553  16.900   2.749
    2   1HB   PRO   9          2HB       PRO   9  -1.452  14.912   2.586
    3   2HB   PRO   9          1HB       PRO   9  -1.669  16.664   2.501
    4   1HG   PRO   9          2HG       PRO   9  -1.432  14.678   0.302
    5   2HG   PRO   9          1HG       PRO   9  -2.357  16.189   0.363
    6   1HD   PRO   9          2HD       PRO   9  -0.109  16.030  -1.063
    7   2HD   PRO   9          1HD       PRO   9  -0.494  17.497  -0.142
    8    H    GLY  10           H        GLY  10   0.408  13.595   1.390
    9   1HA   GLY  10          2HA       GLY  10   1.662  12.613   3.865
   10   2HA   GLY  10          1HA       GLY  10   0.735  11.635   2.738
   11    H    LEU  11           H        LEU  11   2.404  10.104   2.588
   12    HA   LEU  11           HA       LEU  11   5.048  10.778   1.865
   13   1HB   LEU  11          2HB       LEU  11   3.806   8.107   1.323
   14   2HB   LEU  11          1HB       LEU  11   5.467   8.477   1.746
   15    HG   LEU  11           HG       LEU  11   4.004   9.360   3.943
   16   1HD1  LEU  11          1HD1      LEU  11   2.263   7.740   2.627
   17   2HD1  LEU  11          2HD1      LEU  11   2.263   8.016   4.368
   18   3HD1  LEU  11          3HD1      LEU  11   3.067   6.595   3.700
   19   1HD2  LEU  11          1HD2      LEU  11   5.932   7.283   3.276
   20   2HD2  LEU  11          2HD2      LEU  11   4.901   6.857   4.641
   21   3HD2  LEU  11          3HD2      LEU  11   5.849   8.344   4.682
   22    H    GLN  12           H        GLN  12   6.086  10.694  -0.114
   23    HA   GLN  12           HA       GLN  12   4.660  11.491  -2.359
   24   1HB   GLN  12          2HB       GLN  12   7.333  11.283  -1.654
   25   2HB   GLN  12          1HB       GLN  12   7.176  10.189  -3.022
   26   1HG   GLN  12          2HG       GLN  12   6.068  12.957  -3.157
   27   2HG   GLN  12          1HG       GLN  12   7.782  12.659  -3.436
   28   1HE2  GLN  12          1HE2      GLN  12   4.551  12.169  -4.621
   29   2HE2  GLN  12          2HE2      GLN  12   4.991  11.623  -6.200
   30    H    ILE  13           H        ILE  13   3.901  10.476  -4.152
   31    HA   ILE  13           HA       ILE  13   3.092   7.781  -3.935
   32    HB   ILE  13           HB       ILE  13   3.132   9.560  -6.367
   33   1HG1  ILE  13          2HG1      ILE  13   1.942  10.420  -4.280
   34   2HG1  ILE  13          1HG1      ILE  13   0.992  10.334  -5.755
   35   1HG2  ILE  13          1HG2      ILE  13   2.148   6.840  -5.890
   36   2HG2  ILE  13          2HG2      ILE  13   2.533   7.671  -7.398
   37   3HG2  ILE  13          3HG2      ILE  13   0.973   7.933  -6.626
   38   1HD1  ILE  13          1HD1      ILE  13   0.803   7.892  -4.246
   39   2HD1  ILE  13          2HD1      ILE  13  -0.474   8.967  -4.813
   40   3HD1  ILE  13          3HD1      ILE  13   0.334   9.289  -3.279
   41    H    TYR  14           H        TYR  14   3.970   5.962  -4.646
   42    HA   TYR  14           HA       TYR  14   6.306   6.106  -6.429
   43   1HB   TYR  14          2HB       TYR  14   5.850   4.130  -4.179
   44   2HB   TYR  14          1HB       TYR  14   7.237   4.159  -5.261
   45    HD1  TYR  14           1HD      TYR  14   7.381   7.297  -5.209
   46    HD2  TYR  14           2HD      TYR  14   7.223   4.304  -2.193
   47    HE1  TYR  14           1HE      TYR  14   8.560   8.804  -3.664
   48    HE2  TYR  14           2HE      TYR  14   8.400   5.801  -0.637
   49    HH   TYR  14           HH       TYR  14   9.918   7.753  -0.752
   50    HA   PRO  15           HA       PRO  15   3.928   3.439  -9.026
   51   1HB   PRO  15          2HB       PRO  15   5.891   2.278 -10.491
   52   2HB   PRO  15          1HB       PRO  15   5.413   3.967 -10.702
   53   1HG   PRO  15          2HG       PRO  15   7.726   2.829  -9.177
   54   2HG   PRO  15          1HG       PRO  15   7.682   4.235 -10.259
   55   1HD   PRO  15          2HD       PRO  15   7.612   4.461  -7.556
   56   2HD   PRO  15          1HD       PRO  15   6.802   5.613  -8.636
   57    H    TYR  16           H        TYR  16   4.078   2.355  -6.530
   58    HA   TYR  16           HA       TYR  16   4.007   0.409  -5.354
   59   1HB   TYR  16          2HB       TYR  16   2.376  -0.083  -7.170
   60   2HB   TYR  16          1HB       TYR  16   3.671  -0.870  -8.061
   61    HD1  TYR  16           1HD      TYR  16   3.865  -3.163  -7.873
   62    HD2  TYR  16           2HD      TYR  16   2.076  -1.004  -4.672
   63    HE1  TYR  16           1HE      TYR  16   3.361  -5.276  -6.734
   64    HE2  TYR  16           2HE      TYR  16   1.571  -3.114  -3.517
   65    HH   TYR  16           HH       TYR  16   2.012  -6.201  -5.070
   66    H    GLU  17           H        GLU  17   5.588  -0.687  -8.270
   67    HA   GLU  17           HA       GLU  17   7.258  -2.582  -7.282
   68   1HB   GLU  17          2HB       GLU  17   7.837  -0.637  -9.517
   69   2HB   GLU  17          1HB       GLU  17   8.746  -2.112  -9.219
   70   1HG   GLU  17          2HG       GLU  17   6.770  -3.448  -9.637
   71   2HG   GLU  17          1HG       GLU  17   5.807  -1.988  -9.858
   72    H    MET  18           H        MET  18   7.604   0.854  -6.998
   73    HA   MET  18           HA       MET  18  10.338   0.974  -6.375
   74   1HB   MET  18          2HB       MET  18   8.107   2.772  -6.398
   75   2HB   MET  18          1HB       MET  18   8.998   2.987  -4.897
   76   1HG   MET  18          2HG       MET  18  10.593   2.844  -7.378
   77   2HG   MET  18          1HG       MET  18   9.591   4.277  -7.155
   78   1HE   MET  18          1HE       MET  18  13.293   3.168  -6.466
   79   2HE   MET  18          2HE       MET  18  12.179   1.956  -5.833
   80   3HE   MET  18          3HE       MET  18  13.180   2.896  -4.726
   81    H    LEU  19           H        LEU  19   7.616  -0.110  -4.627
   82    HA   LEU  19           HA       LEU  19   9.131  -0.212  -2.108
   83   1HB   LEU  19          2HB       LEU  19   6.167  -0.539  -2.530
   84   2HB   LEU  19          1HB       LEU  19   6.996  -0.386  -0.991
   85    HG   LEU  19           HG       LEU  19   7.409   1.876  -2.822
   86   1HD1  LEU  19          1HD1      LEU  19   5.305   2.475  -3.227
   87   2HD1  LEU  19          2HD1      LEU  19   4.831   2.181  -1.556
   88   3HD1  LEU  19          3HD1      LEU  19   4.824   0.859  -2.718
   89   1HD2  LEU  19          1HD2      LEU  19   7.666   1.349  -0.113
   90   2HD2  LEU  19          2HD2      LEU  19   6.254   2.401  -0.214
   91   3HD2  LEU  19          3HD2      LEU  19   7.795   2.924  -0.893
   92    H    VAL  20           H        VAL  20   7.451  -2.055  -4.531
   93    HA   VAL  20           HA       VAL  20   6.927  -4.453  -3.336
   94    HB   VAL  20           HB       VAL  20   8.020  -3.991  -6.111
   95   1HG1  VAL  20          1HG1      VAL  20   6.821  -6.436  -4.843
   96   2HG1  VAL  20          2HG1      VAL  20   8.352  -6.289  -5.704
   97   3HG1  VAL  20          3HG1      VAL  20   6.828  -6.185  -6.587
   98   1HG2  VAL  20          1HG2      VAL  20   5.223  -4.213  -5.022
   99   2HG2  VAL  20          2HG2      VAL  20   5.624  -4.220  -6.739
  100   3HG2  VAL  20          3HG2      VAL  20   5.978  -2.801  -5.755
  101    H    VAL  21           H        VAL  21   8.434  -5.031  -1.762
  102    HA   VAL  21           HA       VAL  21  11.015  -5.923  -2.790
  103    HB   VAL  21           HB       VAL  21  10.346  -5.140   0.046
  104   1HG1  VAL  21          1HG1      VAL  21  12.762  -6.330  -1.230
  105   2HG1  VAL  21          2HG1      VAL  21  12.029  -6.675   0.336
  106   3HG1  VAL  21          3HG1      VAL  21  12.968  -5.200   0.107
  107   1HG2  VAL  21          1HG2      VAL  21  10.781  -3.449  -2.052
  108   2HG2  VAL  21          2HG2      VAL  21  12.402  -3.629  -1.382
  109   3HG2  VAL  21          3HG2      VAL  21  11.082  -3.064  -0.358
  110    H    THR  22           H        THR  22  11.037  -8.050  -3.062
  111    HA   THR  22           HA       THR  22   9.656  -9.726  -1.122
  112    HB   THR  22           HB       THR  22  10.169 -10.926  -3.721
  113    HG1  THR  22           1HG      THR  22   8.530  -8.662  -3.437
  114   1HG2  THR  22          1HG2      THR  22   7.487 -10.686  -2.470
  115   2HG2  THR  22          2HG2      THR  22   8.693 -11.755  -1.750
  116   3HG2  THR  22          3HG2      THR  22   8.175 -12.004  -3.419
  117    H    ASN  23           H        ASN  23  11.229 -10.341   0.213
  118    HA   ASN  23           HA       ASN  23  13.026 -12.336  -0.510
  119   1HB   ASN  23          2HB       ASN  23  14.063 -10.151  -1.542
  120   2HB   ASN  23          1HB       ASN  23  14.585  -9.857   0.113
  121   1HD2  ASN  23          1HD2      ASN  23  16.747 -10.050  -0.496
  122   2HD2  ASN  23          2HD2      ASN  23  17.466 -11.585  -0.829
  123    H    LYS  24           H        LYS  24  14.034 -13.261   1.271
  124    HA   LYS  24           HA       LYS  24  12.846 -12.947   3.743
  125   1HB   LYS  24          2HB       LYS  24  15.635 -14.008   3.283
  126   2HB   LYS  24          1HB       LYS  24  14.566 -14.390   4.625
  127   1HG   LYS  24          2HG       LYS  24  14.210 -15.169   1.740
  128   2HG   LYS  24          1HG       LYS  24  14.576 -16.230   3.102
  129   1HD   LYS  24          2HD       LYS  24  12.382 -15.499   4.110
  130   2HD   LYS  24          1HD       LYS  24  12.024 -14.723   2.566
  131   1HE   LYS  24          2HE       LYS  24  12.752 -17.632   2.802
  132   2HE   LYS  24          1HE       LYS  24  11.089 -17.055   2.901
  133   1HZ   LYS  24          1HZ       LYS  24  12.267 -17.769   0.627
  134   2HZ   LYS  24          2HZ       LYS  24  12.621 -16.116   0.620
  135   3HZ   LYS  24          3HZ       LYS  24  11.013 -16.634   0.706
  136    H    GLY  25           H        GLY  25  14.282 -12.562   5.815
  137   1HA   GLY  25          2HA       GLY  25  15.443 -11.079   7.136
  138   2HA   GLY  25          1HA       GLY  25  16.282 -10.547   5.688
  139    H    ARG  26           H        ARG  26  14.796  -9.257   8.107
  140    HA   ARG  26           HA       ARG  26  12.623  -7.796   7.222
  141   1HB   ARG  26          2HB       ARG  26  13.406  -6.082   8.958
  142   2HB   ARG  26          1HB       ARG  26  13.060  -7.710   9.523
  143   1HG   ARG  26          2HG       ARG  26  15.844  -7.264   8.722
  144   2HG   ARG  26          1HG       ARG  26  15.305  -6.311  10.106
  145   1HD   ARG  26          2HD       ARG  26  15.288  -8.094  11.446
  146   2HD   ARG  26          1HD       ARG  26  14.420  -9.070  10.262
  147    HE   ARG  26           HE       ARG  26  17.206  -8.693   9.648
  148   1HH1  ARG  26          1HH1      ARG  26  14.891 -10.650  11.378
  149   2HH1  ARG  26          2HH1      ARG  26  15.913 -12.048  11.413
  150   1HH2  ARG  26          1HH2      ARG  26  18.550 -10.531   9.694
  151   2HH2  ARG  26          2HH2      ARG  26  17.989 -11.981  10.458
  152    H    THR  27           H        THR  27  12.902  -7.068   5.113
  153    HA   THR  27           HA       THR  27  15.112  -5.541   4.261
  154    HB   THR  27           HB       THR  27  14.096  -6.400   2.430
  155    HG1  THR  27           1HG      THR  27  14.169  -4.207   2.028
  156   1HG2  THR  27          1HG2      THR  27  11.480  -6.094   2.173
  157   2HG2  THR  27          2HG2      THR  27  11.564  -6.127   3.935
  158   3HG2  THR  27          3HG2      THR  27  12.186  -7.484   2.996
  159    H    LYS  28           H        LYS  28  15.016  -3.338   3.473
  160    HA   LYS  28           HA       LYS  28  13.564  -1.624   5.375
  161   1HB   LYS  28          2HB       LYS  28  16.105  -1.142   3.814
  162   2HB   LYS  28          1HB       LYS  28  15.295   0.093   4.768
  163   1HG   LYS  28          2HG       LYS  28  15.544  -1.436   6.752
  164   2HG   LYS  28          1HG       LYS  28  16.593  -2.433   5.745
  165   1HD   LYS  28          2HD       LYS  28  17.998  -0.398   5.347
  166   2HD   LYS  28          1HD       LYS  28  17.015   0.442   6.547
  167   1HE   LYS  28          2HE       LYS  28  18.339  -2.163   7.206
  168   2HE   LYS  28          1HE       LYS  28  19.245  -0.651   7.280
  169   1HZ   LYS  28          1HZ       LYS  28  16.669  -0.650   8.620
  170   2HZ   LYS  28          2HZ       LYS  28  18.143   0.023   9.105
  171   3HZ   LYS  28          3HZ       LYS  28  17.857  -1.630   9.321
  172    H    LEU  29           H        LEU  29  12.172  -0.100   4.672
  173    HA   LEU  29           HA       LEU  29  11.356  -0.169   1.934
  174   1HB   LEU  29          2HB       LEU  29  10.345   1.796   3.949
  175   2HB   LEU  29          1HB       LEU  29   9.500   1.101   2.576
  176    HG   LEU  29           HG       LEU  29  10.307  -0.543   4.966
  177   1HD1  LEU  29          1HD1      LEU  29   8.407   1.560   4.900
  178   2HD1  LEU  29          2HD1      LEU  29   8.717   0.395   6.191
  179   3HD1  LEU  29          3HD1      LEU  29   7.521   0.032   4.947
  180   1HD2  LEU  29          1HD2      LEU  29   8.760  -2.128   4.145
  181   2HD2  LEU  29          2HD2      LEU  29   9.706  -1.613   2.748
  182   3HD2  LEU  29          3HD2      LEU  29   8.079  -0.979   2.993
  183    HA   PRO  30           HA       PRO  30  13.281   3.356   0.114
  184   1HB   PRO  30          2HB       PRO  30  10.577   4.581  -0.201
  185   2HB   PRO  30          1HB       PRO  30  11.837   4.311  -1.412
  186   1HG   PRO  30          2HG       PRO  30   9.701   2.746  -1.349
  187   2HG   PRO  30          1HG       PRO  30  11.308   2.054  -1.644
  188   1HD   PRO  30          2HD       PRO  30   9.659   2.023   0.851
  189   2HD   PRO  30          1HD       PRO  30  10.687   0.749   0.163
  190    HA   PRO  31           HA       PRO  31  13.724   6.726   2.928
  191   1HB   PRO  31          2HB       PRO  31  13.189   8.714   0.801
  192   2HB   PRO  31          1HB       PRO  31  14.630   8.494   1.798
  193   1HG   PRO  31          2HG       PRO  31  14.621   7.805  -0.783
  194   2HG   PRO  31          1HG       PRO  31  15.493   6.842   0.425
  195   1HD   PRO  31          2HD       PRO  31  12.852   6.309  -0.881
  196   2HD   PRO  31          1HD       PRO  31  14.161   5.178  -0.481
  197    H    GLY  32           H        GLY  32  11.960   6.639   4.277
  198   1HA   GLY  32          2HA       GLY  32  10.163   7.679   5.319
  199   2HA   GLY  32          1HA       GLY  32   9.978   8.710   3.909
  200    H    VAL  33           H        VAL  33   9.554   5.311   4.877
  201    HA   VAL  33           HA       VAL  33   7.074   5.279   3.386
  202    HB   VAL  33           HB       VAL  33   9.102   3.114   3.486
  203   1HG1  VAL  33          1HG1      VAL  33   6.276   3.085   2.518
  204   2HG1  VAL  33          2HG1      VAL  33   7.073   1.946   3.599
  205   3HG1  VAL  33          3HG1      VAL  33   7.479   1.965   1.884
  206   1HG2  VAL  33          1HG2      VAL  33   8.535   5.234   1.679
  207   2HG2  VAL  33          2HG2      VAL  33   8.360   3.680   0.865
  208   3HG2  VAL  33          3HG2      VAL  33   9.879   4.097   1.663
  209    H    ASP  34           H        ASP  34   5.448   3.957   4.090
  210    HA   ASP  34           HA       ASP  34   5.605   3.361   6.950
  211   1HB   ASP  34          2HB       ASP  34   3.879   4.941   5.526
  212   2HB   ASP  34          1HB       ASP  34   2.961   3.440   5.674
  213    H    ARG  35           H        ARG  35   6.284   1.252   6.989
  214    HA   ARG  35           HA       ARG  35   5.610  -0.797   5.253
  215   1HB   ARG  35          2HB       ARG  35   6.999  -0.553   7.695
  216   2HB   ARG  35          1HB       ARG  35   5.808  -1.823   7.939
  217   1HG   ARG  35          2HG       ARG  35   7.032  -2.231   5.408
  218   2HG   ARG  35          1HG       ARG  35   8.301  -1.963   6.604
  219   1HD   ARG  35          2HD       ARG  35   6.202  -3.722   7.582
  220   2HD   ARG  35          1HD       ARG  35   6.970  -4.340   6.120
  221    HE   ARG  35           HE       ARG  35   8.836  -3.443   8.113
  222   1HH1  ARG  35          1HH1      ARG  35   6.902  -6.130   7.008
  223   2HH1  ARG  35          2HH1      ARG  35   7.907  -7.324   7.756
  224   1HH2  ARG  35          1HH2      ARG  35  10.160  -5.014   9.097
  225   2HH2  ARG  35          2HH2      ARG  35   9.757  -6.691   8.943
  226    H    MET  36           H        MET  36   3.831   0.515   7.960
  227    HA   MET  36           HA       MET  36   1.816  -1.534   7.829
  228   1HB   MET  36          2HB       MET  36   2.019   0.947   9.532
  229   2HB   MET  36          1HB       MET  36   0.745  -0.256   9.671
  230   1HG   MET  36          2HG       MET  36   2.001  -1.551  10.949
  231   2HG   MET  36          1HG       MET  36   3.333  -1.504   9.796
  232   1HE   MET  36          1HE       MET  36   4.875   1.306   9.879
  233   2HE   MET  36          2HE       MET  36   5.282  -0.409   9.927
  234   3HE   MET  36          3HE       MET  36   5.880   0.675  11.183
  235    H    ARG  37           H        ARG  37   2.422   1.512   6.420
  236    HA   ARG  37           HA       ARG  37  -0.285   1.531   5.297
  237   1HB   ARG  37          2HB       ARG  37   1.167   3.931   6.421
  238   2HB   ARG  37          1HB       ARG  37  -0.299   4.022   5.456
  239   1HG   ARG  37          2HG       ARG  37  -0.389   2.274   7.835
  240   2HG   ARG  37          1HG       ARG  37  -0.302   4.013   8.123
  241   1HD   ARG  37          2HD       ARG  37  -2.202   4.092   6.321
  242   2HD   ARG  37          1HD       ARG  37  -2.435   2.409   6.787
  243    HE   ARG  37           HE       ARG  37  -3.167   4.721   8.288
  244   1HH1  ARG  37          1HH1      ARG  37  -2.114   1.407   8.587
  245   2HH1  ARG  37          2HH1      ARG  37  -2.840   1.185  10.143
  246   1HH2  ARG  37          1HH2      ARG  37  -4.122   4.432  10.335
  247   2HH2  ARG  37          2HH2      ARG  37  -3.982   2.901  11.135
  248    H    LEU  38           H        LEU  38   1.176   0.419   3.670
  249    HA   LEU  38           HA       LEU  38   2.975   2.058   2.168
  250   1HB   LEU  38          2HB       LEU  38   2.163  -0.720   2.287
  251   2HB   LEU  38          1HB       LEU  38   2.280  -0.171   0.635
  252    HG   LEU  38           HG       LEU  38   4.402  -0.954   0.916
  253   1HD1  LEU  38          1HD1      LEU  38   4.652   1.789   2.127
  254   2HD1  LEU  38          2HD1      LEU  38   4.637   1.413   0.403
  255   3HD1  LEU  38          3HD1      LEU  38   5.965   0.851   1.418
  256   1HD2  LEU  38          1HD2      LEU  38   3.808  -0.538   3.764
  257   2HD2  LEU  38          2HD2      LEU  38   5.507  -0.393   3.312
  258   3HD2  LEU  38          3HD2      LEU  38   4.623  -1.875   2.953
  259    H    GLU  39           H        GLU  39  -0.328   1.190   2.026
  260    HA   GLU  39           HA       GLU  39  -1.010   1.630  -0.615
  261   1HB   GLU  39          2HB       GLU  39  -3.255   2.400   0.328
  262   2HB   GLU  39          1HB       GLU  39  -2.710   0.789   0.770
  263   1HG   GLU  39          2HG       GLU  39  -1.958   2.971   2.604
  264   2HG   GLU  39          1HG       GLU  39  -3.672   2.567   2.520
  265    H    ARG  40           H        ARG  40  -0.097   3.922   1.811
  266    HA   ARG  40           HA       ARG  40  -1.156   6.218   0.546
  267   1HB   ARG  40          2HB       ARG  40   1.143   6.106   2.488
  268   2HB   ARG  40          1HB       ARG  40   0.126   7.495   2.136
  269   1HG   ARG  40          2HG       ARG  40  -1.563   5.371   2.954
  270   2HG   ARG  40          1HG       ARG  40  -0.230   5.484   4.104
  271   1HD   ARG  40          2HD       ARG  40  -1.321   7.166   5.068
  272   2HD   ARG  40          1HD       ARG  40  -0.984   8.123   3.626
  273    HE   ARG  40           HE       ARG  40  -3.215   6.770   2.940
  274   1HH1  ARG  40          1HH1      ARG  40  -2.386   8.725   5.710
  275   2HH1  ARG  40          2HH1      ARG  40  -4.013   9.253   5.982
  276   1HH2  ARG  40          1HH2      ARG  40  -5.355   7.464   3.295
  277   2HH2  ARG  40          2HH2      ARG  40  -5.698   8.539   4.609
  278    H    HIS  41           H        HIS  41   1.338   4.211  -0.322
  279    HA   HIS  41           HA       HIS  41   2.894   6.328  -1.619
  280   1HB   HIS  41          2HB       HIS  41   3.457   3.413  -1.094
  281   2HB   HIS  41          1HB       HIS  41   4.471   4.400  -2.142
  282    HD1  HIS  41           1HD      HIS  41   5.803   6.355  -0.974
  283    HD2  HIS  41           2HD      HIS  41   3.866   3.745   1.603
  284    HE1  HIS  41           1HE      HIS  41   6.785   6.794   1.300
  285    HE2  HIS  41           2HE      HIS  41   5.384   5.406   2.859
  286    H    LEU  42           H        LEU  42   0.831   3.577  -2.293
  287    HA   LEU  42           HA       LEU  42   1.367   3.173  -4.980
  288   1HB   LEU  42          2HB       LEU  42  -0.808   2.636  -3.091
  289   2HB   LEU  42          1HB       LEU  42  -1.311   2.738  -4.755
  290    HG   LEU  42           HG       LEU  42   0.378   0.693  -3.414
  291   1HD1  LEU  42          1HD1      LEU  42  -1.981   0.870  -5.205
  292   2HD1  LEU  42          2HD1      LEU  42  -1.753  -0.079  -3.733
  293   3HD1  LEU  42          3HD1      LEU  42  -1.004  -0.600  -5.244
  294   1HD2  LEU  42          1HD2      LEU  42   0.798   1.725  -6.176
  295   2HD2  LEU  42          2HD2      LEU  42   0.866  -0.017  -5.913
  296   3HD2  LEU  42          3HD2      LEU  42   1.960   1.051  -5.034
  297    H    SER  43           H        SER  43   0.804   4.172  -6.812
  298    HA   SER  43           HA       SER  43  -0.294   6.808  -6.675
  299   1HB   SER  43          2HB       SER  43   1.196   5.351  -8.564
  300   2HB   SER  43          1HB       SER  43  -0.338   5.768  -9.328
  301    HG   SER  43           HG       SER  43   0.121   7.964  -8.507
  302    H    ALA  44           H        ALA  44  -2.177   7.427  -7.993
  303    HA   ALA  44           HA       ALA  44  -4.443   5.980  -7.217
  304   1HB   ALA  44          1HB       ALA  44  -4.278   7.949  -9.492
  305   2HB   ALA  44          2HB       ALA  44  -4.419   8.406  -7.792
  306   3HB   ALA  44          3HB       ALA  44  -5.720   7.507  -8.575
  307    H    GLU  45           H        GLU  45  -2.500   5.902 -10.096
  308    HA   GLU  45           HA       GLU  45  -4.263   4.301 -11.607
  309   1HB   GLU  45          2HB       GLU  45  -1.307   4.779 -11.985
  310   2HB   GLU  45          1HB       GLU  45  -2.399   4.085 -13.177
  311   1HG   GLU  45          2HG       GLU  45  -3.560   6.144 -13.432
  312   2HG   GLU  45          1HG       GLU  45  -2.723   6.853 -12.051
  313    H    ASP  46           H        ASP  46  -1.946   3.744  -9.135
  314    HA   ASP  46           HA       ASP  46  -1.670   0.979  -9.849
  315   1HB   ASP  46          2HB       ASP  46  -0.359   2.648  -7.723
  316   2HB   ASP  46          1HB       ASP  46  -0.202   0.891  -7.756
  317    H    PHE  47           H        PHE  47  -2.981   2.937  -7.181
  318    HA   PHE  47           HA       PHE  47  -3.802   0.768  -5.613
  319   1HB   PHE  47          2HB       PHE  47  -3.828   3.041  -4.733
  320   2HB   PHE  47          1HB       PHE  47  -5.073   3.490  -5.897
  321    HD1  PHE  47           1HD      PHE  47  -7.292   2.212  -5.783
  322    HD2  PHE  47           2HD      PHE  47  -4.420   2.242  -2.642
  323    HE1  PHE  47           1HE      PHE  47  -9.026   1.533  -4.195
  324    HE2  PHE  47           2HE      PHE  47  -6.155   1.549  -1.046
  325    HZ   PHE  47           HZ       PHE  47  -8.469   1.193  -1.829
  326    H    SER  48           H        SER  48  -5.639   2.701  -7.834
  327    HA   SER  48           HA       SER  48  -7.977   1.262  -7.894
  328   1HB   SER  48          2HB       SER  48  -6.644   3.013  -9.917
  329   2HB   SER  48          1HB       SER  48  -8.137   2.171 -10.330
  330    HG   SER  48           HG       SER  48  -8.930   3.950  -9.462
  331    H    ARG  49           H        ARG  49  -4.986   0.563  -9.448
  332    HA   ARG  49           HA       ARG  49  -6.155  -1.577 -10.966
  333   1HB   ARG  49          2HB       ARG  49  -3.513  -0.218 -10.999
  334   2HB   ARG  49          1HB       ARG  49  -3.644  -1.834 -11.677
  335   1HG   ARG  49          2HG       ARG  49  -5.637  -0.829 -13.008
  336   2HG   ARG  49          1HG       ARG  49  -4.881   0.716 -12.612
  337   1HD   ARG  49          2HD       ARG  49  -2.857  -1.073 -13.512
  338   2HD   ARG  49          1HD       ARG  49  -4.191  -1.119 -14.664
  339    HE   ARG  49           HE       ARG  49  -2.400   1.077 -14.165
  340   1HH1  ARG  49          1HH1      ARG  49  -5.538   0.155 -15.384
  341   2HH1  ARG  49          2HH1      ARG  49  -5.700   1.559 -16.384
  342   1HH2  ARG  49          1HH2      ARG  49  -2.614   2.925 -15.476
  343   2HH2  ARG  49          2HH2      ARG  49  -4.040   3.132 -16.436
  344    H    VAL  50           H        VAL  50  -4.507  -1.063  -8.086
  345    HA   VAL  50           HA       VAL  50  -3.453  -3.713  -7.824
  346    HB   VAL  50           HB       VAL  50  -3.343  -1.220  -6.203
  347   1HG1  VAL  50          1HG1      VAL  50  -1.971  -3.499  -5.003
  348   2HG1  VAL  50          2HG1      VAL  50  -3.718  -3.557  -4.850
  349   3HG1  VAL  50          3HG1      VAL  50  -2.824  -2.170  -4.240
  350   1HG2  VAL  50          1HG2      VAL  50  -1.404  -1.111  -7.204
  351   2HG2  VAL  50          2HG2      VAL  50  -1.650  -2.668  -7.974
  352   3HG2  VAL  50          3HG2      VAL  50  -0.882  -2.573  -6.387
  353    H    PHE  51           H        PHE  51  -5.928  -1.727  -6.250
  354    HA   PHE  51           HA       PHE  51  -6.905  -4.114  -4.886
  355   1HB   PHE  51          2HB       PHE  51  -7.507  -1.203  -4.334
  356   2HB   PHE  51          1HB       PHE  51  -8.059  -2.571  -3.370
  357    HD1  PHE  51           1HD      PHE  51  -6.308  -4.041  -2.280
  358    HD2  PHE  51           2HD      PHE  51  -5.426  -0.209  -3.917
  359    HE1  PHE  51           1HE      PHE  51  -4.247  -3.950  -0.949
  360    HE2  PHE  51           2HE      PHE  51  -3.369  -0.105  -2.569
  361    HZ   PHE  51           HZ       PHE  51  -2.769  -1.981  -1.087
  362    H    ALA  52           H        ALA  52  -7.497  -2.530  -7.658
  363    HA   ALA  52           HA       ALA  52  -9.205  -2.423  -9.129
  364   1HB   ALA  52          1HB       ALA  52  -9.183  -4.862  -8.068
  365   2HB   ALA  52          2HB       ALA  52 -10.305  -4.370  -9.342
  366   3HB   ALA  52          3HB       ALA  52 -10.831  -4.383  -7.655
  367    H    MET  53           H        MET  53  -9.276  -0.539  -7.004
  368    HA   MET  53           HA       MET  53 -11.975   0.303  -7.270
  369   1HB   MET  53          2HB       MET  53 -12.714   0.289  -5.053
  370   2HB   MET  53          1HB       MET  53 -11.972  -1.288  -5.263
  371   1HG   MET  53          2HG       MET  53  -9.884  -0.255  -4.247
  372   2HG   MET  53          1HG       MET  53 -10.925   1.088  -3.773
  373   1HE   MET  53          1HE       MET  53  -9.993  -2.367  -3.732
  374   2HE   MET  53          2HE       MET  53 -11.192  -3.246  -2.783
  375   3HE   MET  53          3HE       MET  53  -9.792  -2.525  -1.988
  376    H    SER  54           H        SER  54 -12.290   2.530  -6.360
  377    HA   SER  54           HA       SER  54 -10.143   4.161  -7.110
  378   1HB   SER  54          2HB       SER  54 -11.514   5.995  -6.006
  379   2HB   SER  54          1HB       SER  54 -12.331   5.076  -7.268
  380    HG   SER  54           HG       SER  54 -13.675   5.283  -5.468
  381    HA   PRO  55           HA       PRO  55  -7.571   4.551  -3.613
  382   1HB   PRO  55          2HB       PRO  55  -7.661   7.495  -3.955
  383   2HB   PRO  55          1HB       PRO  55  -6.267   6.407  -4.000
  384   1HG   PRO  55          2HG       PRO  55  -7.196   7.486  -6.253
  385   2HG   PRO  55          1HG       PRO  55  -6.653   5.797  -6.221
  386   1HD   PRO  55          2HD       PRO  55  -9.441   6.882  -6.128
  387   2HD   PRO  55          1HD       PRO  55  -8.787   5.528  -7.077
  388    H    GLU  56           H        GLU  56 -10.207   6.773  -3.931
  389    HA   GLU  56           HA       GLU  56 -10.514   7.494  -1.254
  390   1HB   GLU  56          2HB       GLU  56 -12.875   8.007  -2.109
  391   2HB   GLU  56          1HB       GLU  56 -11.547   8.929  -2.780
  392   1HG   GLU  56          2HG       GLU  56 -12.252   6.479  -4.229
  393   2HG   GLU  56          1HG       GLU  56 -13.501   7.721  -4.208
  394    H    GLU  57           H        GLU  57 -11.842   4.977  -3.306
  395    HA   GLU  57           HA       GLU  57 -13.839   3.953  -1.839
  396   1HB   GLU  57          2HB       GLU  57 -11.929   2.877  -3.754
  397   2HB   GLU  57          1HB       GLU  57 -12.601   1.677  -2.679
  398   1HG   GLU  57          2HG       GLU  57 -14.624   3.447  -3.757
  399   2HG   GLU  57          1HG       GLU  57 -13.720   2.607  -5.015
  400    H    PHE  58           H        PHE  58 -10.471   3.627  -1.394
  401    HA   PHE  58           HA       PHE  58 -10.496   1.828   0.787
  402   1HB   PHE  58          2HB       PHE  58  -8.545   2.901  -0.865
  403   2HB   PHE  58          1HB       PHE  58  -8.199   3.622   0.700
  404    HD1  PHE  58           1HD      PHE  58  -9.457   0.261  -0.248
  405    HD2  PHE  58           2HD      PHE  58  -6.390   2.526   1.611
  406    HE1  PHE  58           1HE      PHE  58  -8.365  -1.817   0.477
  407    HE2  PHE  58           2HE      PHE  58  -5.291   0.459   2.339
  408    HZ   PHE  58           HZ       PHE  58  -6.287  -1.706   1.768
  409    H    GLY  59           H        GLY  59 -10.123   5.341   0.463
  410   1HA   GLY  59          2HA       GLY  59  -9.788   5.977   3.157
  411   2HA   GLY  59          1HA       GLY  59 -10.516   7.040   1.962
  412    H    LYS  60           H        LYS  60 -12.628   4.868   1.546
  413    HA   LYS  60           HA       LYS  60 -14.325   5.762   3.680
  414   1HB   LYS  60          2HB       LYS  60 -14.738   5.033   0.889
  415   2HB   LYS  60          1HB       LYS  60 -15.979   4.415   1.971
  416   1HG   LYS  60          2HG       LYS  60 -16.905   6.422   2.222
  417   2HG   LYS  60          1HG       LYS  60 -15.345   7.203   2.486
  418   1HD   LYS  60          2HD       LYS  60 -16.040   6.325  -0.273
  419   2HD   LYS  60          1HD       LYS  60 -16.834   7.762   0.375
  420   1HE   LYS  60          2HE       LYS  60 -14.439   8.498   1.022
  421   2HE   LYS  60          1HE       LYS  60 -13.923   7.281  -0.145
  422   1HZ   LYS  60          1HZ       LYS  60 -14.298   9.715  -0.900
  423   2HZ   LYS  60          2HZ       LYS  60 -15.933   9.279  -0.932
  424   3HZ   LYS  60          3HZ       LYS  60 -14.817   8.446  -1.892
  425    H    LEU  61           H        LEU  61 -12.949   2.892   2.410
  426    HA   LEU  61           HA       LEU  61 -14.569   0.922   3.467
  427   1HB   LEU  61          2HB       LEU  61 -11.611   1.022   2.984
  428   2HB   LEU  61          1HB       LEU  61 -12.385  -0.416   3.601
  429    HG   LEU  61           HG       LEU  61 -13.301   0.853   1.045
  430   1HD1  LEU  61          1HD1      LEU  61 -11.543  -1.452   0.770
  431   2HD1  LEU  61          2HD1      LEU  61 -10.730  -0.026   1.409
  432   3HD1  LEU  61          3HD1      LEU  61 -11.579   0.063  -0.131
  433   1HD2  LEU  61          1HD2      LEU  61 -13.530  -1.880   2.273
  434   2HD2  LEU  61          2HD2      LEU  61 -13.934  -1.538   0.593
  435   3HD2  LEU  61          3HD2      LEU  61 -14.826  -0.749   1.893
  436    H    ALA  62           H        ALA  62 -13.309  -0.682   5.171
  437    HA   ALA  62           HA       ALA  62 -13.269   0.854   7.669
  438   1HB   ALA  62          1HB       ALA  62 -13.446  -2.146   7.432
  439   2HB   ALA  62          2HB       ALA  62 -14.869  -1.105   7.298
  440   3HB   ALA  62          3HB       ALA  62 -13.922  -1.112   8.785
  441    H    LEU  63           H        LEU  63 -11.898  -0.875   9.292
  442    HA   LEU  63           HA       LEU  63  -9.190  -0.520   8.305
  443   1HB   LEU  63          2HB       LEU  63 -10.442  -0.480  10.877
  444   2HB   LEU  63          1HB       LEU  63  -9.172  -1.691  10.883
  445    HG   LEU  63           HG       LEU  63  -8.302   0.420  11.681
  446   1HD1  LEU  63          1HD1      LEU  63  -7.131  -1.147   9.814
  447   2HD1  LEU  63          2HD1      LEU  63  -6.340   0.216  10.605
  448   3HD1  LEU  63          3HD1      LEU  63  -7.070   0.423   9.014
  449   1HD2  LEU  63          1HD2      LEU  63  -8.143   2.209   9.704
  450   2HD2  LEU  63          2HD2      LEU  63  -9.467   2.186  10.869
  451   3HD2  LEU  63          3HD2      LEU  63  -9.679   1.456   9.277
  452    H    TRP  64           H        TRP  64 -11.474  -2.967   8.870
  453    HA   TRP  64           HA       TRP  64  -9.630  -5.121   8.868
  454   1HB   TRP  64          2HB       TRP  64 -11.742  -6.519   8.793
  455   2HB   TRP  64          1HB       TRP  64 -11.587  -5.448  10.183
  456    HD1  TRP  64           HD       TRP  64 -13.184  -3.222  10.183
  457    HE1  TRP  64           1HE      TRP  64 -15.459  -2.808   9.040
  458    HE3  TRP  64           3HE      TRP  64 -13.115  -7.014   6.789
  459    HZ2  TRP  64           2HZ      TRP  64 -17.020  -3.940   7.015
  460    HZ3  TRP  64           3HZ      TRP  64 -15.045  -7.294   5.279
  461    HH2  TRP  64           HH       TRP  64 -16.955  -5.773   5.399
  462    H    LYS  65           H        LYS  65 -12.244  -4.110   6.657
  463    HA   LYS  65           HA       LYS  65 -11.618  -5.923   4.643
  464   1HB   LYS  65          2HB       LYS  65 -12.765  -4.211   3.115
  465   2HB   LYS  65          1HB       LYS  65 -13.713  -4.872   4.435
  466   1HG   LYS  65          2HG       LYS  65 -12.796  -2.707   5.654
  467   2HG   LYS  65          1HG       LYS  65 -12.712  -2.139   3.990
  468   1HD   LYS  65          2HD       LYS  65 -15.103  -2.964   5.589
  469   2HD   LYS  65          1HD       LYS  65 -14.854  -1.503   4.639
  470   1HE   LYS  65          2HE       LYS  65 -14.686  -3.416   2.717
  471   2HE   LYS  65          1HE       LYS  65 -15.848  -4.145   3.824
  472   1HZ   LYS  65          1HZ       LYS  65 -16.556  -2.467   1.919
  473   2HZ   LYS  65          2HZ       LYS  65 -16.257  -1.340   3.145
  474   3HZ   LYS  65          3HZ       LYS  65 -17.391  -2.572   3.388
  475    H    ARG  66           H        ARG  66 -10.424  -2.681   5.308
  476    HA   ARG  66           HA       ARG  66  -8.841  -2.373   3.015
  477   1HB   ARG  66          2HB       ARG  66  -9.046  -1.147   5.694
  478   2HB   ARG  66          1HB       ARG  66  -7.491  -0.989   4.907
  479   1HG   ARG  66          2HG       ARG  66  -8.941  -0.194   2.875
  480   2HG   ARG  66          1HG       ARG  66 -10.135   0.137   4.130
  481   1HD   ARG  66          2HD       ARG  66  -8.545   2.030   3.463
  482   2HD   ARG  66          1HD       ARG  66  -8.767   1.709   5.183
  483    HE   ARG  66           HE       ARG  66  -6.565   0.250   4.161
  484   1HH1  ARG  66          1HH1      ARG  66  -7.526   3.471   5.104
  485   2HH1  ARG  66          2HH1      ARG  66  -5.920   3.963   5.525
  486   1HH2  ARG  66          1HH2      ARG  66  -4.453   0.895   4.718
  487   2HH2  ARG  66          2HH2      ARG  66  -4.174   2.500   5.305
  488    H    ASN  67           H        ASN  67  -8.243  -3.819   6.211
  489    HA   ASN  67           HA       ASN  67  -5.513  -4.310   5.836
  490   1HB   ASN  67          2HB       ASN  67  -7.627  -5.093   7.720
  491   2HB   ASN  67          1HB       ASN  67  -6.332  -6.266   7.554
  492   1HD2  ASN  67          1HD2      ASN  67  -6.968  -4.730   9.868
  493   2HD2  ASN  67          2HD2      ASN  67  -5.599  -3.736  10.222
  494    H    GLU  68           H        GLU  68  -8.407  -6.279   5.224
  495    HA   GLU  68           HA       GLU  68  -7.019  -8.559   4.386
  496   1HB   GLU  68          2HB       GLU  68  -9.800  -7.757   3.566
  497   2HB   GLU  68          1HB       GLU  68  -9.134  -9.385   3.590
  498   1HG   GLU  68          2HG       GLU  68  -8.813  -8.443   6.188
  499   2HG   GLU  68          1HG       GLU  68 -10.410  -7.887   5.692
  500    H    LEU  69           H        LEU  69  -7.824  -5.630   2.864
  501    HA   LEU  69           HA       LEU  69  -7.397  -6.613   0.170
  502   1HB   LEU  69          2HB       LEU  69  -8.048  -3.903   1.315
  503   2HB   LEU  69          1HB       LEU  69  -7.708  -4.151  -0.393
  504    HG   LEU  69           HG       LEU  69  -9.909  -5.557   1.108
  505   1HD1  LEU  69          1HD1      LEU  69  -9.791  -2.892  -0.078
  506   2HD1  LEU  69          2HD1      LEU  69 -10.958  -3.583   1.047
  507   3HD1  LEU  69          3HD1      LEU  69 -11.118  -3.881  -0.684
  508   1HD2  LEU  69          1HD2      LEU  69  -8.670  -6.200  -1.256
  509   2HD2  LEU  69          2HD2      LEU  69 -10.096  -5.301  -1.782
  510   3HD2  LEU  69          3HD2      LEU  69 -10.278  -6.723  -0.754
  511    H    LYS  70           H        LYS  70  -5.903  -4.179   2.285
  512    HA   LYS  70           HA       LYS  70  -3.760  -3.488   0.720
  513   1HB   LYS  70          2HB       LYS  70  -3.066  -2.346   2.541
  514   2HB   LYS  70          1HB       LYS  70  -4.645  -2.773   3.151
  515   1HG   LYS  70          2HG       LYS  70  -3.459  -4.848   4.123
  516   2HG   LYS  70          1HG       LYS  70  -1.984  -3.915   3.864
  517   1HD   LYS  70          2HD       LYS  70  -4.343  -2.770   5.330
  518   2HD   LYS  70          1HD       LYS  70  -3.122  -3.736   6.157
  519   1HE   LYS  70          2HE       LYS  70  -1.559  -2.110   6.031
  520   2HE   LYS  70          1HE       LYS  70  -2.094  -1.575   4.438
  521   1HZ   LYS  70          1HZ       LYS  70  -3.028  -0.749   7.089
  522   2HZ   LYS  70          2HZ       LYS  70  -4.144  -0.746   5.816
  523   3HZ   LYS  70          3HZ       LYS  70  -2.736   0.185   5.708
  524    H    LYS  71           H        LYS  71  -4.256  -6.367   2.609
  525    HA   LYS  71           HA       LYS  71  -1.575  -7.259   2.495
  526   1HB   LYS  71          2HB       LYS  71  -4.042  -8.197   3.615
  527   2HB   LYS  71          1HB       LYS  71  -3.274  -9.504   2.727
  528   1HG   LYS  71          2HG       LYS  71  -1.289  -9.325   4.045
  529   2HG   LYS  71          1HG       LYS  71  -1.887  -7.863   4.832
  530   1HD   LYS  71          2HD       LYS  71  -3.064 -10.633   5.058
  531   2HD   LYS  71          1HD       LYS  71  -2.154  -9.776   6.302
  532   1HE   LYS  71          2HE       LYS  71  -4.109  -7.976   5.731
  533   2HE   LYS  71          1HE       LYS  71  -4.959  -9.499   5.480
  534   1HZ   LYS  71          1HZ       LYS  71  -4.804 -10.054   7.662
  535   2HZ   LYS  71          2HZ       LYS  71  -4.807  -8.372   7.836
  536   3HZ   LYS  71          3HZ       LYS  71  -3.348  -9.225   7.904
  537    H    LYS  72           H        LYS  72  -4.328  -7.519   0.456
  538    HA   LYS  72           HA       LYS  72  -3.411  -9.543  -1.227
  539   1HB   LYS  72          2HB       LYS  72  -5.612  -7.681  -1.190
  540   2HB   LYS  72          1HB       LYS  72  -4.955  -7.828  -2.813
  541   1HG   LYS  72          2HG       LYS  72  -5.915  -9.803  -3.099
  542   2HG   LYS  72          1HG       LYS  72  -5.235 -10.419  -1.592
  543   1HD   LYS  72          2HD       LYS  72  -7.390  -8.544  -1.106
  544   2HD   LYS  72          1HD       LYS  72  -7.914  -9.890  -2.120
  545   1HE   LYS  72          2HE       LYS  72  -7.133 -11.481  -0.479
  546   2HE   LYS  72          1HE       LYS  72  -6.463 -10.182   0.507
  547   1HZ   LYS  72          1HZ       LYS  72  -8.631  -9.378   0.977
  548   2HZ   LYS  72          2HZ       LYS  72  -8.652 -11.043   1.269
  549   3HZ   LYS  72          3HZ       LYS  72  -9.347 -10.424  -0.144
  550    H    ALA  73           H        ALA  73  -2.821  -6.168  -1.015
  551    HA   ALA  73           HA       ALA  73  -1.284  -6.120  -3.459
  552   1HB   ALA  73          1HB       ALA  73  -1.887  -3.892  -1.530
  553   2HB   ALA  73          2HB       ALA  73  -2.809  -4.262  -2.985
  554   3HB   ALA  73          3HB       ALA  73  -1.135  -3.722  -3.116
  555    H    SER  74           H        SER  74  -0.779  -6.798  -0.196
  556    HA   SER  74           HA       SER  74   1.131  -7.286   0.952
  557   1HB   SER  74          2HB       SER  74   2.941  -6.259  -1.185
  558   2HB   SER  74          1HB       SER  74   3.101  -7.690  -0.167
  559    HG   SER  74           HG       SER  74   1.420  -8.644  -1.422
  560    H    LEU  75           H        LEU  75  -0.157  -4.541   0.543
  561    HA   LEU  75           HA       LEU  75   2.038  -2.784   1.304
  562   1HB   LEU  75          2HB       LEU  75  -0.882  -2.118   0.944
  563   2HB   LEU  75          1HB       LEU  75   0.449  -0.983   1.047
  564    HG   LEU  75           HG       LEU  75  -0.306  -2.789  -1.223
  565   1HD1  LEU  75          1HD1      LEU  75  -0.452  -0.834  -2.478
  566   2HD1  LEU  75          2HD1      LEU  75   0.513   0.091  -1.324
  567   3HD1  LEU  75          3HD1      LEU  75  -1.136  -0.384  -0.914
  568   1HD2  LEU  75          1HD2      LEU  75   1.903  -3.273  -1.337
  569   2HD2  LEU  75          2HD2      LEU  75   2.391  -1.810  -0.482
  570   3HD2  LEU  75          3HD2      LEU  75   1.924  -1.725  -2.181
  571    H    PHE  76           H        PHE  76   0.538  -4.991   2.951
  572    HA   PHE  76           HA       PHE  76  -0.553  -3.563   5.159
  573   1HB   PHE  76          2HB       PHE  76  -1.141  -5.944   4.353
  574   2HB   PHE  76          1HB       PHE  76   0.306  -6.442   5.223
  575    HD1  PHE  76           1HD      PHE  76   0.372  -5.257   7.704
  576    HD2  PHE  76           2HD      PHE  76  -3.096  -6.303   5.468
  577    HE1  PHE  76           1HE      PHE  76  -0.931  -5.385   9.788
  578    HE2  PHE  76           2HE      PHE  76  -4.400  -6.433   7.546
  579    HZ   PHE  76           HZ       PHE  76  -3.323  -5.972   9.708
  Start of MODEL   11
    1    HA   PRO   9           HA       PRO   9   4.055  15.972   5.764
    2   1HB   PRO   9          2HB       PRO   9   1.509  15.180   6.690
    3   2HB   PRO   9          1HB       PRO   9   2.485  16.533   7.272
    4   1HG   PRO   9          2HG       PRO   9   0.272  16.512   5.285
    5   2HG   PRO   9          1HG       PRO   9   0.727  17.767   6.452
    6   1HD   PRO   9          2HD       PRO   9   1.270  18.065   3.859
    7   2HD   PRO   9          1HD       PRO   9   2.437  18.587   5.090
    8    H    GLY  10           H        GLY  10   1.241  14.660   4.002
    9   1HA   GLY  10          2HA       GLY  10   1.589  11.972   4.604
   10   2HA   GLY  10          1HA       GLY  10   0.848  12.572   3.129
   11    H    LEU  11           H        LEU  11   2.339  10.215   3.215
   12    HA   LEU  11           HA       LEU  11   5.011  10.670   2.367
   13   1HB   LEU  11          2HB       LEU  11   3.614   8.137   1.686
   14   2HB   LEU  11          1HB       LEU  11   5.243   8.389   2.282
   15    HG   LEU  11           HG       LEU  11   3.520   9.194   4.368
   16   1HD1  LEU  11          1HD1      LEU  11   2.053   7.533   2.778
   17   2HD1  LEU  11          2HD1      LEU  11   1.803   7.775   4.507
   18   3HD1  LEU  11          3HD1      LEU  11   2.760   6.408   3.936
   19   1HD2  LEU  11          1HD2      LEU  11   5.754   7.537   3.951
   20   2HD2  LEU  11          2HD2      LEU  11   4.551   6.560   4.787
   21   3HD2  LEU  11          3HD2      LEU  11   5.083   8.090   5.483
   22    H    GLN  12           H        GLN  12   5.885  10.443   0.264
   23    HA   GLN  12           HA       GLN  12   4.223  11.447  -1.788
   24   1HB   GLN  12          2HB       GLN  12   6.286  12.279  -2.154
   25   2HB   GLN  12          1HB       GLN  12   7.074  10.935  -1.346
   26   1HG   GLN  12          2HG       GLN  12   7.859  10.638  -3.438
   27   2HG   GLN  12          1HG       GLN  12   6.401   9.662  -3.546
   28   1HE2  GLN  12          1HE2      GLN  12   5.008  10.106  -5.132
   29   2HE2  GLN  12          2HE2      GLN  12   5.021  11.530  -6.108
   30    H    ILE  13           H        ILE  13   3.465  10.464  -3.618
   31    HA   ILE  13           HA       ILE  13   2.835   7.707  -3.464
   32    HB   ILE  13           HB       ILE  13   2.596   9.521  -5.854
   33   1HG1  ILE  13          2HG1      ILE  13   1.579  10.389  -3.681
   34   2HG1  ILE  13          1HG1      ILE  13   0.493  10.241  -5.053
   35   1HG2  ILE  13          1HG2      ILE  13   2.288   6.993  -6.087
   36   2HG2  ILE  13          2HG2      ILE  13   1.010   8.041  -6.692
   37   3HG2  ILE  13          3HG2      ILE  13   0.816   7.216  -5.148
   38   1HD1  ILE  13          1HD1      ILE  13   0.299   7.798  -3.755
   39   2HD1  ILE  13          2HD1      ILE  13  -0.868   9.122  -3.711
   40   3HD1  ILE  13          3HD1      ILE  13   0.368   8.995  -2.459
   41    H    TYR  14           H        TYR  14   3.746   5.960  -4.356
   42    HA   TYR  14           HA       TYR  14   6.028   6.350  -6.180
   43   1HB   TYR  14          2HB       TYR  14   5.659   4.110  -4.179
   44   2HB   TYR  14          1HB       TYR  14   7.045   4.347  -5.235
   45    HD1  TYR  14           1HD      TYR  14   7.215   7.393  -4.841
   46    HD2  TYR  14           2HD      TYR  14   6.828   4.152  -2.117
   47    HE1  TYR  14           1HE      TYR  14   8.317   8.734  -3.098
   48    HE2  TYR  14           2HE      TYR  14   7.923   5.481  -0.366
   49    HH   TYR  14           HH       TYR  14   9.742   7.998  -0.834
   50    HA   PRO  15           HA       PRO  15   3.879   3.735  -9.006
   51   1HB   PRO  15          2HB       PRO  15   5.884   2.676 -10.449
   52   2HB   PRO  15          1HB       PRO  15   5.494   4.400 -10.513
   53   1HG   PRO  15          2HG       PRO  15   7.655   3.002  -8.984
   54   2HG   PRO  15          1HG       PRO  15   7.738   4.512  -9.910
   55   1HD   PRO  15          2HD       PRO  15   7.477   4.419  -7.190
   56   2HD   PRO  15          1HD       PRO  15   6.884   5.759  -8.188
   57    H    TYR  16           H        TYR  16   3.880   2.461  -6.586
   58    HA   TYR  16           HA       TYR  16   3.682   0.431  -5.586
   59   1HB   TYR  16          2HB       TYR  16   2.156   0.064  -7.460
   60   2HB   TYR  16          1HB       TYR  16   3.496  -0.511  -8.444
   61    HD1  TYR  16           1HD      TYR  16   1.925  -1.259  -5.126
   62    HD2  TYR  16           2HD      TYR  16   3.726  -2.802  -8.661
   63    HE1  TYR  16           1HE      TYR  16   1.501  -3.549  -4.336
   64    HE2  TYR  16           2HE      TYR  16   3.304  -5.093  -7.879
   65    HH   TYR  16           HH       TYR  16   2.247  -5.781  -4.671
   66    H    GLU  17           H        GLU  17   5.446  -0.556  -8.432
   67    HA   GLU  17           HA       GLU  17   7.014  -2.506  -7.370
   68   1HB   GLU  17          2HB       GLU  17   8.700  -1.858  -9.194
   69   2HB   GLU  17          1HB       GLU  17   7.075  -2.297  -9.702
   70   1HG   GLU  17          2HG       GLU  17   6.550  -0.176 -10.349
   71   2HG   GLU  17          1HG       GLU  17   7.658   0.570  -9.199
   72    H    MET  18           H        MET  18   7.407   0.922  -7.046
   73    HA   MET  18           HA       MET  18  10.093   1.010  -6.254
   74   1HB   MET  18          2HB       MET  18   7.788   2.800  -6.186
   75   2HB   MET  18          1HB       MET  18   8.876   3.043  -4.828
   76   1HG   MET  18          2HG       MET  18  10.646   2.929  -6.859
   77   2HG   MET  18          1HG       MET  18   9.250   3.617  -7.684
   78   1HE   MET  18          1HE       MET  18   9.541   5.986  -8.158
   79   2HE   MET  18          2HE       MET  18  11.265   5.639  -8.037
   80   3HE   MET  18          3HE       MET  18  10.598   7.073  -7.257
   81    H    LEU  19           H        LEU  19   7.164   0.200  -4.597
   82    HA   LEU  19           HA       LEU  19   8.514  -0.004  -2.007
   83   1HB   LEU  19          2HB       LEU  19   5.618  -0.436  -2.724
   84   2HB   LEU  19          1HB       LEU  19   6.281  -0.312  -1.103
   85    HG   LEU  19           HG       LEU  19   6.791   2.016  -2.831
   86   1HD1  LEU  19          1HD1      LEU  19   4.709   2.584  -3.366
   87   2HD1  LEU  19          2HD1      LEU  19   4.112   2.196  -1.754
   88   3HD1  LEU  19          3HD1      LEU  19   4.244   0.930  -2.971
   89   1HD2  LEU  19          1HD2      LEU  19   7.275   2.736  -0.784
   90   2HD2  LEU  19          2HD2      LEU  19   6.497   1.345  -0.035
   91   3HD2  LEU  19          3HD2      LEU  19   5.541   2.763  -0.463
   92    H    VAL  20           H        VAL  20   6.918  -1.869  -4.490
   93    HA   VAL  20           HA       VAL  20   6.951  -4.361  -3.086
   94    HB   VAL  20           HB       VAL  20   6.611  -3.945  -6.046
   95   1HG1  VAL  20          1HG1      VAL  20   6.714  -6.200  -5.799
   96   2HG1  VAL  20          2HG1      VAL  20   4.999  -5.961  -5.473
   97   3HG1  VAL  20          3HG1      VAL  20   6.133  -6.167  -4.137
   98   1HG2  VAL  20          1HG2      VAL  20   5.086  -2.712  -4.138
   99   2HG2  VAL  20          2HG2      VAL  20   4.193  -4.204  -4.423
  100   3HG2  VAL  20          3HG2      VAL  20   4.553  -3.121  -5.762
  101    H    VAL  21           H        VAL  21   9.453  -3.702  -2.754
  102    HA   VAL  21           HA       VAL  21  11.136  -4.607  -4.895
  103    HB   VAL  21           HB       VAL  21  11.985  -3.973  -2.075
  104   1HG1  VAL  21          1HG1      VAL  21  13.408  -5.054  -4.154
  105   2HG1  VAL  21          2HG1      VAL  21  14.096  -4.184  -2.783
  106   3HG1  VAL  21          3HG1      VAL  21  13.771  -3.334  -4.293
  107   1HG2  VAL  21          1HG2      VAL  21  10.699  -2.198  -3.697
  108   2HG2  VAL  21          2HG2      VAL  21  12.387  -1.903  -4.106
  109   3HG2  VAL  21          3HG2      VAL  21  11.848  -1.764  -2.433
  110    H    THR  22           H        THR  22  11.461  -6.700  -5.260
  111    HA   THR  22           HA       THR  22  10.958  -8.646  -3.214
  112    HB   THR  22           HB       THR  22  11.940  -9.919  -5.504
  113    HG1  THR  22           1HG      THR  22  10.087  -7.895  -6.188
  114   1HG2  THR  22          1HG2      THR  22  10.090 -10.726  -4.124
  115   2HG2  THR  22          2HG2      THR  22   9.675 -10.675  -5.837
  116   3HG2  THR  22          3HG2      THR  22   9.076  -9.424  -4.747
  117    H    ASN  23           H        ASN  23  13.457  -6.817  -3.336
  118    HA   ASN  23           HA       ASN  23  15.713  -8.361  -3.827
  119   1HB   ASN  23          2HB       ASN  23  15.114  -5.833  -2.529
  120   2HB   ASN  23          1HB       ASN  23  16.429  -6.682  -1.722
  121   1HD2  ASN  23          1HD2      ASN  23  15.453  -6.459  -5.123
  122   2HD2  ASN  23          2HD2      ASN  23  16.971  -5.866  -5.696
  123    H    LYS  24           H        LYS  24  15.453 -10.447  -3.021
  124    HA   LYS  24           HA       LYS  24  14.641 -11.210  -0.503
  125   1HB   LYS  24          2HB       LYS  24  16.413 -12.428  -2.566
  126   2HB   LYS  24          1HB       LYS  24  16.380 -13.162  -0.968
  127   1HG   LYS  24          2HG       LYS  24  14.647 -14.332  -1.735
  128   2HG   LYS  24          1HG       LYS  24  13.719 -12.848  -1.513
  129   1HD   LYS  24          2HD       LYS  24  14.065 -12.225  -3.812
  130   2HD   LYS  24          1HD       LYS  24  15.162 -13.585  -4.057
  131   1HE   LYS  24          2HE       LYS  24  12.295 -13.944  -3.226
  132   2HE   LYS  24          1HE       LYS  24  12.788 -13.861  -4.917
  133   1HZ   LYS  24          1HZ       LYS  24  12.667 -16.138  -4.256
  134   2HZ   LYS  24          2HZ       LYS  24  13.654 -15.869  -2.910
  135   3HZ   LYS  24          3HZ       LYS  24  14.299 -15.745  -4.470
  136    H    GLY  25           H        GLY  25  15.371 -10.426   1.368
  137   1HA   GLY  25          2HA       GLY  25  17.456 -10.967   2.809
  138   2HA   GLY  25          1HA       GLY  25  18.248  -9.900   1.660
  139    H    ARG  26           H        ARG  26  15.043  -9.631   3.157
  140    HA   ARG  26           HA       ARG  26  14.034  -7.847   4.166
  141   1HB   ARG  26          2HB       ARG  26  16.553  -8.386   5.670
  142   2HB   ARG  26          1HB       ARG  26  15.563  -7.012   6.143
  143   1HG   ARG  26          2HG       ARG  26  14.396  -8.426   7.394
  144   2HG   ARG  26          1HG       ARG  26  13.752  -9.089   5.891
  145   1HD   ARG  26          2HD       ARG  26  15.097 -10.924   5.960
  146   2HD   ARG  26          1HD       ARG  26  16.399 -10.074   6.789
  147    HE   ARG  26           HE       ARG  26  14.209 -11.503   7.995
  148   1HH1  ARG  26          1HH1      ARG  26  16.637  -9.039   8.463
  149   2HH1  ARG  26          2HH1      ARG  26  16.646  -9.200  10.186
  150   1HH2  ARG  26          1HH2      ARG  26  14.220 -11.715  10.262
  151   2HH2  ARG  26          2HH2      ARG  26  15.276 -10.719  11.208
  152    H    THR  27           H        THR  27  14.482  -6.688   2.025
  153    HA   THR  27           HA       THR  27  16.517  -4.745   1.896
  154    HB   THR  27           HB       THR  27  15.776  -5.134  -0.207
  155    HG1  THR  27           1HG      THR  27  15.570  -2.925   0.037
  156   1HG2  THR  27          1HG2      THR  27  13.969  -6.598   0.088
  157   2HG2  THR  27          2HG2      THR  27  13.324  -5.240  -0.832
  158   3HG2  THR  27          3HG2      THR  27  13.000  -5.367   0.897
  159    H    LYS  28           H        LYS  28  16.178  -2.432   1.754
  160    HA   LYS  28           HA       LYS  28  14.589  -1.518   4.021
  161   1HB   LYS  28          2HB       LYS  28  15.854   0.563   3.823
  162   2HB   LYS  28          1HB       LYS  28  16.934  -0.822   3.883
  163   1HG   LYS  28          2HG       LYS  28  17.777  -0.399   1.861
  164   2HG   LYS  28          1HG       LYS  28  16.190  -0.051   1.171
  165   1HD   LYS  28          2HD       LYS  28  17.120   1.987   3.049
  166   2HD   LYS  28          1HD       LYS  28  18.169   1.792   1.643
  167   1HE   LYS  28          2HE       LYS  28  16.348   2.194   0.145
  168   2HE   LYS  28          1HE       LYS  28  15.184   2.154   1.468
  169   1HZ   LYS  28          1HZ       LYS  28  17.312   4.111   1.720
  170   2HZ   LYS  28          2HZ       LYS  28  15.663   4.254   2.068
  171   3HZ   LYS  28          3HZ       LYS  28  16.206   4.398   0.472
  172    H    LEU  29           H        LEU  29  12.944  -0.040   3.905
  173    HA   LEU  29           HA       LEU  29  11.602   0.173   1.393
  174   1HB   LEU  29          2HB       LEU  29  10.987   0.888   4.214
  175   2HB   LEU  29          1HB       LEU  29  10.074   1.685   2.943
  176    HG   LEU  29           HG       LEU  29  10.206  -1.282   3.484
  177   1HD1  LEU  29          1HD1      LEU  29   8.354   0.886   4.173
  178   2HD1  LEU  29          2HD1      LEU  29   8.599  -0.687   4.933
  179   3HD1  LEU  29          3HD1      LEU  29   7.592  -0.552   3.492
  180   1HD2  LEU  29          1HD2      LEU  29   8.428  -1.331   1.661
  181   2HD2  LEU  29          2HD2      LEU  29  10.101  -1.121   1.142
  182   3HD2  LEU  29          3HD2      LEU  29   9.015   0.268   1.202
  183    HA   PRO  30           HA       PRO  30  12.808   4.130  -0.108
  184   1HB   PRO  30          2HB       PRO  30   9.951   4.970   0.044
  185   2HB   PRO  30          1HB       PRO  30  11.069   5.022  -1.325
  186   1HG   PRO  30          2HG       PRO  30   9.167   3.168  -1.207
  187   2HG   PRO  30          1HG       PRO  30  10.785   2.770  -1.814
  188   1HD   PRO  30          2HD       PRO  30   9.544   2.147   0.831
  189   2HD   PRO  30          1HD       PRO  30  10.647   1.168  -0.158
  190    HA   PRO  31           HA       PRO  31  13.345   6.845   3.330
  191   1HB   PRO  31          2HB       PRO  31  13.033   9.083   1.399
  192   2HB   PRO  31          1HB       PRO  31  14.361   8.733   2.511
  193   1HG   PRO  31          2HG       PRO  31  14.618   8.293  -0.107
  194   2HG   PRO  31          1HG       PRO  31  15.326   7.185   1.082
  195   1HD   PRO  31          2HD       PRO  31  12.859   6.869  -0.574
  196   2HD   PRO  31          1HD       PRO  31  14.062   5.654  -0.096
  197    H    GLY  32           H        GLY  32  11.448   6.586   4.484
  198   1HA   GLY  32          2HA       GLY  32   9.699   7.725   5.579
  199   2HA   GLY  32          1HA       GLY  32   9.534   8.772   4.178
  200    H    VAL  33           H        VAL  33   9.094   5.374   5.128
  201    HA   VAL  33           HA       VAL  33   6.704   5.315   3.502
  202    HB   VAL  33           HB       VAL  33   8.740   3.187   3.824
  203   1HG1  VAL  33          1HG1      VAL  33   5.937   2.953   2.783
  204   2HG1  VAL  33          2HG1      VAL  33   6.681   2.028   4.088
  205   3HG1  VAL  33          3HG1      VAL  33   7.200   1.777   2.421
  206   1HG2  VAL  33          1HG2      VAL  33   8.173   5.139   1.878
  207   2HG2  VAL  33          2HG2      VAL  33   7.878   3.553   1.165
  208   3HG2  VAL  33          3HG2      VAL  33   9.453   3.929   1.868
  209    H    ASP  34           H        ASP  34   5.000   4.053   4.157
  210    HA   ASP  34           HA       ASP  34   4.923   3.664   7.054
  211   1HB   ASP  34          2HB       ASP  34   3.332   5.141   5.375
  212   2HB   ASP  34          1HB       ASP  34   2.382   3.668   5.591
  213    H    ARG  35           H        ARG  35   5.494   1.557   7.371
  214    HA   ARG  35           HA       ARG  35   5.009  -0.622   5.747
  215   1HB   ARG  35          2HB       ARG  35   5.484  -0.282   8.671
  216   2HB   ARG  35          1HB       ARG  35   4.959  -1.859   8.096
  217   1HG   ARG  35          2HG       ARG  35   7.117  -0.769   6.492
  218   2HG   ARG  35          1HG       ARG  35   7.553  -0.922   8.195
  219   1HD   ARG  35          2HD       ARG  35   7.945  -3.077   7.811
  220   2HD   ARG  35          1HD       ARG  35   6.209  -3.286   7.584
  221    HE   ARG  35           HE       ARG  35   7.571  -2.395   5.219
  222   1HH1  ARG  35          1HH1      ARG  35   6.682  -5.187   7.115
  223   2HH1  ARG  35          2HH1      ARG  35   6.765  -6.279   5.775
  224   1HH2  ARG  35          1HH2      ARG  35   7.680  -3.830   3.455
  225   2HH2  ARG  35          2HH2      ARG  35   7.332  -5.510   3.696
  226    H    MET  36           H        MET  36   2.956   0.694   8.320
  227    HA   MET  36           HA       MET  36   0.882  -1.225   7.739
  228   1HB   MET  36          2HB       MET  36   1.400   0.746   9.898
  229   2HB   MET  36          1HB       MET  36  -0.271   0.297   9.590
  230   1HG   MET  36          2HG       MET  36   0.736  -1.053  11.357
  231   2HG   MET  36          1HG       MET  36   0.248  -2.032   9.974
  232   1HE   MET  36          1HE       MET  36   2.630  -3.376   8.300
  233   2HE   MET  36          2HE       MET  36   1.253  -3.703   9.351
  234   3HE   MET  36          3HE       MET  36   2.858  -4.281   9.797
  235    H    ARG  37           H        ARG  37   1.790   1.389   6.159
  236    HA   ARG  37           HA       ARG  37  -0.891   1.953   5.211
  237   1HB   ARG  37          2HB       ARG  37   0.454   3.719   7.020
  238   2HB   ARG  37          1HB       ARG  37   0.337   4.507   5.454
  239   1HG   ARG  37          2HG       ARG  37  -1.658   5.162   6.251
  240   2HG   ARG  37          1HG       ARG  37  -2.168   3.573   5.675
  241   1HD   ARG  37          2HD       ARG  37  -1.362   2.840   8.083
  242   2HD   ARG  37          1HD       ARG  37  -1.691   4.534   8.450
  243    HE   ARG  37           HE       ARG  37  -3.616   2.468   7.915
  244   1HH1  ARG  37          1HH1      ARG  37  -3.027   5.907   7.872
  245   2HH1  ARG  37          2HH1      ARG  37  -4.704   6.322   8.000
  246   1HH2  ARG  37          1HH2      ARG  37  -5.821   3.011   8.083
  247   2HH2  ARG  37          2HH2      ARG  37  -6.290   4.678   8.120
  248    H    LEU  38           H        LEU  38   0.758   0.566   3.773
  249    HA   LEU  38           HA       LEU  38   2.539   2.126   2.175
  250   1HB   LEU  38          2HB       LEU  38   1.831  -0.659   2.538
  251   2HB   LEU  38          1HB       LEU  38   2.006  -0.268   0.846
  252    HG   LEU  38           HG       LEU  38   4.128  -0.987   1.369
  253   1HD1  LEU  38          1HD1      LEU  38   4.196   1.952   1.996
  254   2HD1  LEU  38          2HD1      LEU  38   4.356   1.208   0.406
  255   3HD1  LEU  38          3HD1      LEU  38   5.607   0.965   1.624
  256   1HD2  LEU  38          1HD2      LEU  38   3.324  -0.351   4.044
  257   2HD2  LEU  38          2HD2      LEU  38   4.946   0.271   3.741
  258   3HD2  LEU  38          3HD2      LEU  38   4.595  -1.438   3.487
  259    H    GLU  39           H        GLU  39  -0.721   1.072   1.986
  260    HA   GLU  39           HA       GLU  39  -1.257   1.304  -0.739
  261   1HB   GLU  39          2HB       GLU  39  -3.592   1.613  -0.118
  262   2HB   GLU  39          1HB       GLU  39  -2.850   0.369   0.881
  263   1HG   GLU  39          2HG       GLU  39  -4.091   1.586   2.394
  264   2HG   GLU  39          1HG       GLU  39  -2.476   2.262   2.580
  265    H    ARG  40           H        ARG  40  -0.742   3.772   1.661
  266    HA   ARG  40           HA       ARG  40  -1.914   5.885   0.211
  267   1HB   ARG  40          2HB       ARG  40  -1.835   6.265   2.493
  268   2HB   ARG  40          1HB       ARG  40  -0.212   5.613   2.643
  269   1HG   ARG  40          2HG       ARG  40   0.156   7.826   2.981
  270   2HG   ARG  40          1HG       ARG  40   0.447   7.701   1.251
  271   1HD   ARG  40          2HD       ARG  40  -2.322   8.280   2.131
  272   2HD   ARG  40          1HD       ARG  40  -1.133   9.568   2.314
  273    HE   ARG  40           HE       ARG  40  -1.133   8.361  -0.293
  274   1HH1  ARG  40          1HH1      ARG  40  -2.591  10.803   1.728
  275   2HH1  ARG  40          2HH1      ARG  40  -3.102  11.782   0.395
  276   1HH2  ARG  40          1HH2      ARG  40  -1.807   9.646  -2.049
  277   2HH2  ARG  40          2HH2      ARG  40  -2.658  11.124  -1.750
  278    H    HIS  41           H        HIS  41   0.974   4.183  -0.070
  279    HA   HIS  41           HA       HIS  41   2.485   6.327  -1.314
  280   1HB   HIS  41          2HB       HIS  41   3.036   3.428  -0.735
  281   2HB   HIS  41          1HB       HIS  41   4.077   4.340  -1.821
  282    HD1  HIS  41           1HD      HIS  41   5.421   6.337  -0.740
  283    HD2  HIS  41           2HD      HIS  41   3.447   3.862   1.938
  284    HE1  HIS  41           1HE      HIS  41   6.427   6.833   1.510
  285    HE2  HIS  41           2HE      HIS  41   4.985   5.555   3.125
  286    H    LEU  42           H        LEU  42   0.599   3.521  -2.205
  287    HA   LEU  42           HA       LEU  42   1.318   3.186  -4.842
  288   1HB   LEU  42          2HB       LEU  42  -0.978   2.601  -3.122
  289   2HB   LEU  42          1HB       LEU  42  -1.352   2.690  -4.823
  290    HG   LEU  42           HG       LEU  42   0.415   0.747  -3.395
  291   1HD1  LEU  42          1HD1      LEU  42  -1.969   0.663  -5.206
  292   2HD1  LEU  42          2HD1      LEU  42  -1.810   0.056  -3.552
  293   3HD1  LEU  42          3HD1      LEU  42  -0.988  -0.772  -4.872
  294   1HD2  LEU  42          1HD2      LEU  42   0.714   1.767  -6.144
  295   2HD2  LEU  42          2HD2      LEU  42   0.674   0.013  -5.986
  296   3HD2  LEU  42          3HD2      LEU  42   1.879   0.951  -5.105
  297    H    SER  43           H        SER  43   0.779   4.124  -6.731
  298    HA   SER  43           HA       SER  43  -0.350   6.750  -6.655
  299   1HB   SER  43          2HB       SER  43   1.158   5.194  -8.518
  300   2HB   SER  43          1HB       SER  43  -0.278   5.855  -9.299
  301    HG   SER  43           HG       SER  43   1.221   7.424  -9.492
  302    H    ALA  44           H        ALA  44  -2.230   7.356  -7.835
  303    HA   ALA  44           HA       ALA  44  -4.456   5.800  -7.219
  304   1HB   ALA  44          1HB       ALA  44  -4.289   7.878  -9.398
  305   2HB   ALA  44          2HB       ALA  44  -4.517   8.241  -7.685
  306   3HB   ALA  44          3HB       ALA  44  -5.750   7.339  -8.569
  307    H    GLU  45           H        GLU  45  -2.454   5.885 -10.051
  308    HA   GLU  45           HA       GLU  45  -4.125   4.341 -11.700
  309   1HB   GLU  45          2HB       GLU  45  -1.136   4.715 -11.883
  310   2HB   GLU  45          1HB       GLU  45  -2.200   4.167 -13.171
  311   1HG   GLU  45          2HG       GLU  45  -2.554   6.849 -11.886
  312   2HG   GLU  45          1HG       GLU  45  -1.411   6.597 -13.203
  313    H    ASP  46           H        ASP  46  -2.003   3.661  -9.093
  314    HA   ASP  46           HA       ASP  46  -1.698   0.926  -9.878
  315   1HB   ASP  46          2HB       ASP  46  -0.591   2.454  -7.536
  316   2HB   ASP  46          1HB       ASP  46  -0.381   0.712  -7.733
  317    H    PHE  47           H        PHE  47  -3.004   2.701  -7.034
  318    HA   PHE  47           HA       PHE  47  -3.995   0.495  -5.713
  319   1HB   PHE  47          2HB       PHE  47  -4.080   2.739  -4.730
  320   2HB   PHE  47          1HB       PHE  47  -5.329   3.194  -5.891
  321    HD1  PHE  47           1HD      PHE  47  -7.559   2.177  -5.773
  322    HD2  PHE  47           2HD      PHE  47  -4.588   1.412  -2.829
  323    HE1  PHE  47           1HE      PHE  47  -9.284   1.277  -4.277
  324    HE2  PHE  47           2HE      PHE  47  -6.303   0.499  -1.330
  325    HZ   PHE  47           HZ       PHE  47  -8.662   0.432  -2.055
  326    H    SER  48           H        SER  48  -5.450   2.361  -8.219
  327    HA   SER  48           HA       SER  48  -7.922   1.161  -8.405
  328   1HB   SER  48          2HB       SER  48  -8.005   1.952 -10.722
  329   2HB   SER  48          1HB       SER  48  -7.323   3.185  -9.661
  330    HG   SER  48           HG       SER  48  -6.211   2.617 -11.759
  331    H    ARG  49           H        ARG  49  -4.891   0.143  -9.741
  332    HA   ARG  49           HA       ARG  49  -6.098  -2.162 -10.951
  333   1HB   ARG  49          2HB       ARG  49  -3.457  -0.834 -11.190
  334   2HB   ARG  49          1HB       ARG  49  -3.584  -2.534 -11.622
  335   1HG   ARG  49          2HG       ARG  49  -4.810  -2.115 -13.481
  336   2HG   ARG  49          1HG       ARG  49  -5.599  -0.702 -12.779
  337   1HD   ARG  49          2HD       ARG  49  -4.248   0.373 -14.249
  338   2HD   ARG  49          1HD       ARG  49  -3.112   0.244 -12.906
  339    HE   ARG  49           HE       ARG  49  -1.835  -1.142 -14.188
  340   1HH1  ARG  49          1HH1      ARG  49  -5.059  -1.072 -15.522
  341   2HH1  ARG  49          2HH1      ARG  49  -4.639  -2.014 -16.913
  342   1HH2  ARG  49          1HH2      ARG  49  -1.280  -2.381 -16.016
  343   2HH2  ARG  49          2HH2      ARG  49  -2.493  -2.757 -17.194
  344    H    VAL  50           H        VAL  50  -4.430  -1.317  -8.159
  345    HA   VAL  50           HA       VAL  50  -3.260  -3.844  -7.585
  346    HB   VAL  50           HB       VAL  50  -3.720  -1.426  -5.840
  347   1HG1  VAL  50          1HG1      VAL  50  -2.136  -3.909  -5.270
  348   2HG1  VAL  50          2HG1      VAL  50  -3.612  -3.410  -4.451
  349   3HG1  VAL  50          3HG1      VAL  50  -2.136  -2.458  -4.276
  350   1HG2  VAL  50          1HG2      VAL  50  -1.853  -1.943  -7.854
  351   2HG2  VAL  50          2HG2      VAL  50  -0.979  -2.079  -6.341
  352   3HG2  VAL  50          3HG2      VAL  50  -1.862  -0.602  -6.725
  353    H    PHE  51           H        PHE  51  -6.072  -2.065  -6.346
  354    HA   PHE  51           HA       PHE  51  -6.994  -4.581  -5.153
  355   1HB   PHE  51          2HB       PHE  51  -7.662  -1.806  -4.176
  356   2HB   PHE  51          1HB       PHE  51  -7.978  -3.336  -3.362
  357    HD1  PHE  51           1HD      PHE  51  -6.162  -4.596  -2.337
  358    HD2  PHE  51           2HD      PHE  51  -5.471  -0.795  -4.128
  359    HE1  PHE  51           1HE      PHE  51  -3.991  -4.455  -1.198
  360    HE2  PHE  51           2HE      PHE  51  -3.310  -0.636  -2.960
  361    HZ   PHE  51           HZ       PHE  51  -2.556  -2.476  -1.505
  362    H    ALA  52           H        ALA  52  -7.530  -2.906  -7.788
  363    HA   ALA  52           HA       ALA  52  -9.272  -2.511  -9.188
  364   1HB   ALA  52          1HB       ALA  52  -9.383  -5.036  -8.312
  365   2HB   ALA  52          2HB       ALA  52 -10.477  -4.375  -9.533
  366   3HB   ALA  52          3HB       ALA  52 -10.993  -4.481  -7.847
  367    H    MET  53           H        MET  53  -9.157  -0.834  -6.924
  368    HA   MET  53           HA       MET  53 -11.944  -0.045  -6.761
  369   1HB   MET  53          2HB       MET  53 -10.238  -0.877  -4.501
  370   2HB   MET  53          1HB       MET  53 -11.120   0.623  -4.259
  371   1HG   MET  53          2HG       MET  53 -12.762  -0.680  -3.539
  372   2HG   MET  53          1HG       MET  53 -13.064  -0.999  -5.246
  373   1HE   MET  53          1HE       MET  53  -9.851  -2.343  -3.290
  374   2HE   MET  53          2HE       MET  53 -10.571  -3.753  -2.510
  375   3HE   MET  53          3HE       MET  53 -11.123  -2.133  -2.085
  376    H    SER  54           H        SER  54 -12.075   2.242  -5.761
  377    HA   SER  54           HA       SER  54 -10.157   3.871  -7.143
  378   1HB   SER  54          2HB       SER  54 -11.559   5.762  -6.223
  379   2HB   SER  54          1HB       SER  54 -12.438   4.615  -7.234
  380    HG   SER  54           HG       SER  54 -13.644   4.973  -5.400
  381    HA   PRO  55           HA       PRO  55  -7.131   4.231  -3.933
  382   1HB   PRO  55          2HB       PRO  55  -6.928   7.064  -4.346
  383   2HB   PRO  55          1HB       PRO  55  -5.816   5.809  -4.897
  384   1HG   PRO  55          2HG       PRO  55  -8.025   7.142  -6.357
  385   2HG   PRO  55          1HG       PRO  55  -6.540   6.413  -6.988
  386   1HD   PRO  55          2HD       PRO  55  -8.910   5.246  -7.320
  387   2HD   PRO  55          1HD       PRO  55  -7.457   4.276  -6.981
  388    H    GLU  56           H        GLU  56  -9.744   6.477  -4.285
  389    HA   GLU  56           HA       GLU  56  -9.778   7.503  -1.685
  390   1HB   GLU  56          2HB       GLU  56 -12.141   8.144  -2.419
  391   2HB   GLU  56          1HB       GLU  56 -10.801   8.853  -3.292
  392   1HG   GLU  56          2HG       GLU  56 -11.145   7.363  -5.123
  393   2HG   GLU  56          1HG       GLU  56 -12.329   6.431  -4.206
  394    H    GLU  57           H        GLU  57 -11.569   4.942  -3.333
  395    HA   GLU  57           HA       GLU  57 -13.458   4.292  -1.528
  396   1HB   GLU  57          2HB       GLU  57 -11.930   2.831  -3.545
  397   2HB   GLU  57          1HB       GLU  57 -12.596   1.825  -2.284
  398   1HG   GLU  57          2HG       GLU  57 -14.361   3.804  -3.618
  399   2HG   GLU  57          1HG       GLU  57 -13.938   2.319  -4.469
  400    H    PHE  58           H        PHE  58 -10.131   3.502  -1.515
  401    HA   PHE  58           HA       PHE  58 -10.081   1.948   0.835
  402   1HB   PHE  58          2HB       PHE  58  -8.229   2.626  -1.119
  403   2HB   PHE  58          1HB       PHE  58  -7.608   3.403   0.332
  404    HD1  PHE  58           1HD      PHE  58  -9.376   0.183  -0.217
  405    HD2  PHE  58           2HD      PHE  58  -5.873   2.134   1.166
  406    HE1  PHE  58           1HE      PHE  58  -8.486  -1.972   0.548
  407    HE2  PHE  58           2HE      PHE  58  -4.970  -0.016   1.931
  408    HZ   PHE  58           HZ       PHE  58  -6.281  -2.060   1.617
  409    H    GLY  59           H        GLY  59  -9.435   5.373   0.145
  410   1HA   GLY  59          2HA       GLY  59  -8.709   6.140   2.746
  411   2HA   GLY  59          1HA       GLY  59  -9.418   7.202   1.538
  412    H    LYS  60           H        LYS  60 -11.780   5.191   1.539
  413    HA   LYS  60           HA       LYS  60 -13.123   6.421   3.766
  414   1HB   LYS  60          2HB       LYS  60 -13.854   6.050   1.056
  415   2HB   LYS  60          1HB       LYS  60 -14.987   5.147   2.051
  416   1HG   LYS  60          2HG       LYS  60 -16.019   6.997   2.715
  417   2HG   LYS  60          1HG       LYS  60 -14.495   7.791   3.120
  418   1HD   LYS  60          2HD       LYS  60 -15.547   7.537   0.308
  419   2HD   LYS  60          1HD       LYS  60 -15.856   8.932   1.343
  420   1HE   LYS  60          2HE       LYS  60 -13.278   8.989   1.610
  421   2HE   LYS  60          1HE       LYS  60 -13.274   7.985   0.159
  422   1HZ   LYS  60          1HZ       LYS  60 -13.945   9.690  -1.131
  423   2HZ   LYS  60          2HZ       LYS  60 -13.242  10.629   0.087
  424   3HZ   LYS  60          3HZ       LYS  60 -14.916  10.386   0.067
  425    H    LEU  61           H        LEU  61 -12.274   3.376   2.443
  426    HA   LEU  61           HA       LEU  61 -14.046   1.665   3.698
  427   1HB   LEU  61          2HB       LEU  61 -11.194   1.376   2.851
  428   2HB   LEU  61          1HB       LEU  61 -12.005   0.067   3.672
  429    HG   LEU  61           HG       LEU  61 -13.104   1.302   1.161
  430   1HD1  LEU  61          1HD1      LEU  61 -11.666  -1.285   1.089
  431   2HD1  LEU  61          2HD1      LEU  61 -10.705   0.186   1.136
  432   3HD1  LEU  61          3HD1      LEU  61 -11.866  -0.065  -0.167
  433   1HD2  LEU  61          1HD2      LEU  61 -13.635  -1.229   2.689
  434   2HD2  LEU  61          2HD2      LEU  61 -14.170  -0.985   1.027
  435   3HD2  LEU  61          3HD2      LEU  61 -14.760   0.073   2.308
  436    H    ALA  62           H        ALA  62 -12.778  -0.075   5.313
  437    HA   ALA  62           HA       ALA  62 -12.405   1.485   7.763
  438   1HB   ALA  62          1HB       ALA  62 -12.800  -1.500   7.584
  439   2HB   ALA  62          2HB       ALA  62 -14.151  -0.359   7.576
  440   3HB   ALA  62          3HB       ALA  62 -13.068  -0.432   8.966
  441    H    LEU  63           H        LEU  63 -11.016  -0.242   9.330
  442    HA   LEU  63           HA       LEU  63  -8.379  -0.124   8.119
  443   1HB   LEU  63          2HB       LEU  63  -9.411   0.140  10.769
  444   2HB   LEU  63          1HB       LEU  63  -8.242  -1.167  10.752
  445    HG   LEU  63           HG       LEU  63  -7.146   0.897  11.359
  446   1HD1  LEU  63          1HD1      LEU  63  -6.255  -0.844   9.495
  447   2HD1  LEU  63          2HD1      LEU  63  -5.302   0.493  10.138
  448   3HD1  LEU  63          3HD1      LEU  63  -6.151   0.674   8.603
  449   1HD2  LEU  63          1HD2      LEU  63  -7.876   2.032   8.675
  450   2HD2  LEU  63          2HD2      LEU  63  -7.164   2.857  10.062
  451   3HD2  LEU  63          3HD2      LEU  63  -8.845   2.329  10.119
  452    H    TRP  64           H        TRP  64 -10.776  -2.374   8.953
  453    HA   TRP  64           HA       TRP  64  -9.082  -4.649   8.936
  454   1HB   TRP  64          2HB       TRP  64 -11.276  -5.901   9.067
  455   2HB   TRP  64          1HB       TRP  64 -10.956  -4.788  10.392
  456    HD1  TRP  64           HD       TRP  64 -12.403  -2.454  10.387
  457    HE1  TRP  64           1HE      TRP  64 -14.736  -1.959   9.399
  458    HE3  TRP  64           3HE      TRP  64 -12.819  -6.404   7.209
  459    HZ2  TRP  64           2HZ      TRP  64 -16.515  -3.094   7.562
  460    HZ3  TRP  64           3HZ      TRP  64 -14.873  -6.645   5.867
  461    HH2  TRP  64           HH       TRP  64 -16.680  -5.007   6.048
  462    H    LYS  65           H        LYS  65 -11.756  -3.517   6.861
  463    HA   LYS  65           HA       LYS  65 -11.397  -5.436   4.874
  464   1HB   LYS  65          2HB       LYS  65 -12.517  -3.683   3.365
  465   2HB   LYS  65          1HB       LYS  65 -13.424  -4.253   4.753
  466   1HG   LYS  65          2HG       LYS  65 -12.177  -2.085   5.790
  467   2HG   LYS  65          1HG       LYS  65 -12.413  -1.594   4.116
  468   1HD   LYS  65          2HD       LYS  65 -14.472  -2.344   6.159
  469   2HD   LYS  65          1HD       LYS  65 -14.364  -0.879   5.196
  470   1HE   LYS  65          2HE       LYS  65 -14.580  -2.853   3.293
  471   2HE   LYS  65          1HE       LYS  65 -15.630  -3.433   4.586
  472   1HZ   LYS  65          1HZ       LYS  65 -15.903  -0.626   3.901
  473   2HZ   LYS  65          2HZ       LYS  65 -17.093  -1.775   4.257
  474   3HZ   LYS  65          3HZ       LYS  65 -16.410  -1.716   2.710
  475    H    ARG  66           H        ARG  66  -9.878  -2.338   5.443
  476    HA   ARG  66           HA       ARG  66  -8.458  -2.124   3.028
  477   1HB   ARG  66          2HB       ARG  66  -8.420  -0.900   5.705
  478   2HB   ARG  66          1HB       ARG  66  -6.873  -0.899   4.884
  479   1HG   ARG  66          2HG       ARG  66  -8.374   0.013   2.887
  480   2HG   ARG  66          1HG       ARG  66  -9.370   0.552   4.239
  481   1HD   ARG  66          2HD       ARG  66  -7.560   2.145   3.333
  482   2HD   ARG  66          1HD       ARG  66  -7.701   1.937   5.078
  483    HE   ARG  66           HE       ARG  66  -5.833   0.121   3.910
  484   1HH1  ARG  66          1HH1      ARG  66  -6.236   3.395   5.055
  485   2HH1  ARG  66          2HH1      ARG  66  -4.555   3.614   5.407
  486   1HH2  ARG  66          1HH2      ARG  66  -3.619   0.408   4.375
  487   2HH2  ARG  66          2HH2      ARG  66  -3.068   1.916   5.022
  488    H    ASN  67           H        ASN  67  -7.732  -3.599   6.173
  489    HA   ASN  67           HA       ASN  67  -5.097  -4.348   5.588
  490   1HB   ASN  67          2HB       ASN  67  -7.107  -4.869   7.667
  491   2HB   ASN  67          1HB       ASN  67  -5.936  -6.158   7.447
  492   1HD2  ASN  67          1HD2      ASN  67  -6.323  -4.337   9.688
  493   2HD2  ASN  67          2HD2      ASN  67  -4.818  -3.519   9.909
  494    H    GLU  68           H        GLU  68  -8.202  -6.037   5.270
  495    HA   GLU  68           HA       GLU  68  -7.135  -8.488   4.468
  496   1HB   GLU  68          2HB       GLU  68  -9.842  -7.263   3.999
  497   2HB   GLU  68          1HB       GLU  68  -9.441  -8.917   3.556
  498   1HG   GLU  68          2HG       GLU  68  -8.996  -8.005   6.357
  499   2HG   GLU  68          1HG       GLU  68 -10.628  -8.398   5.814
  500    H    LEU  69           H        LEU  69  -7.684  -5.558   2.823
  501    HA   LEU  69           HA       LEU  69  -7.454  -6.733   0.177
  502   1HB   LEU  69          2HB       LEU  69  -7.834  -3.908   1.156
  503   2HB   LEU  69          1HB       LEU  69  -7.612  -4.308  -0.541
  504    HG   LEU  69           HG       LEU  69  -9.860  -5.308   1.203
  505   1HD1  LEU  69          1HD1      LEU  69 -10.423  -3.102   0.859
  506   2HD1  LEU  69          2HD1      LEU  69 -11.150  -3.871  -0.553
  507   3HD1  LEU  69          3HD1      LEU  69  -9.608  -3.026  -0.703
  508   1HD2  LEU  69          1HD2      LEU  69  -8.778  -6.381  -1.128
  509   2HD2  LEU  69          2HD2      LEU  69 -10.235  -5.526  -1.644
  510   3HD2  LEU  69          3HD2      LEU  69 -10.336  -6.771  -0.396
  511    H    LYS  70           H        LYS  70  -5.694  -4.375   2.149
  512    HA   LYS  70           HA       LYS  70  -3.584  -3.884   0.453
  513   1HB   LYS  70          2HB       LYS  70  -2.672  -2.758   2.213
  514   2HB   LYS  70          1HB       LYS  70  -4.308  -2.908   2.801
  515   1HG   LYS  70          2HG       LYS  70  -3.693  -4.743   4.221
  516   2HG   LYS  70          1HG       LYS  70  -2.061  -4.762   3.551
  517   1HD   LYS  70          2HD       LYS  70  -2.243  -3.634   5.771
  518   2HD   LYS  70          1HD       LYS  70  -1.574  -2.618   4.494
  519   1HE   LYS  70          2HE       LYS  70  -3.781  -1.578   4.191
  520   2HE   LYS  70          1HE       LYS  70  -4.418  -2.571   5.499
  521   1HZ   LYS  70          1HZ       LYS  70  -2.371  -0.438   5.684
  522   2HZ   LYS  70          2HZ       LYS  70  -2.678  -1.526   6.941
  523   3HZ   LYS  70          3HZ       LYS  70  -3.897  -0.477   6.415
  524    H    LYS  71           H        LYS  71  -4.218  -6.658   2.417
  525    HA   LYS  71           HA       LYS  71  -1.574  -7.689   2.202
  526   1HB   LYS  71          2HB       LYS  71  -2.683  -8.426   4.129
  527   2HB   LYS  71          1HB       LYS  71  -4.167  -8.752   3.254
  528   1HG   LYS  71          2HG       LYS  71  -2.117 -10.439   2.218
  529   2HG   LYS  71          1HG       LYS  71  -2.113 -10.549   3.976
  530   1HD   LYS  71          2HD       LYS  71  -3.611 -12.198   2.849
  531   2HD   LYS  71          1HD       LYS  71  -4.425 -11.156   4.017
  532   1HE   LYS  71          2HE       LYS  71  -5.447  -9.877   2.330
  533   2HE   LYS  71          1HE       LYS  71  -4.353 -10.489   1.089
  534   1HZ   LYS  71          1HZ       LYS  71  -6.011 -11.883   0.616
  535   2HZ   LYS  71          2HZ       LYS  71  -6.805 -11.615   2.085
  536   3HZ   LYS  71          3HZ       LYS  71  -5.544 -12.738   1.999
  537    H    LYS  72           H        LYS  72  -4.438  -7.768   0.338
  538    HA   LYS  72           HA       LYS  72  -3.876 -10.026  -1.212
  539   1HB   LYS  72          2HB       LYS  72  -5.816  -7.874  -1.245
  540   2HB   LYS  72          1HB       LYS  72  -5.288  -8.290  -2.868
  541   1HG   LYS  72          2HG       LYS  72  -6.442 -10.193  -2.870
  542   2HG   LYS  72          1HG       LYS  72  -5.905 -10.624  -1.245
  543   1HD   LYS  72          2HD       LYS  72  -7.705  -8.402  -1.094
  544   2HD   LYS  72          1HD       LYS  72  -8.445  -9.690  -2.048
  545   1HE   LYS  72          2HE       LYS  72  -7.128 -10.227   0.592
  546   2HE   LYS  72          1HE       LYS  72  -8.810  -9.713   0.485
  547   1HZ   LYS  72          1HZ       LYS  72  -9.193 -11.641  -1.003
  548   2HZ   LYS  72          2HZ       LYS  72  -8.748 -12.080   0.569
  549   3HZ   LYS  72          3HZ       LYS  72  -7.615 -12.165  -0.684
  550    H    ALA  73           H        ALA  73  -2.979  -6.704  -1.330
  551    HA   ALA  73           HA       ALA  73  -1.559  -7.004  -3.822
  552   1HB   ALA  73          1HB       ALA  73  -2.920  -4.999  -3.362
  553   2HB   ALA  73          2HB       ALA  73  -1.232  -4.627  -3.723
  554   3HB   ALA  73          3HB       ALA  73  -1.810  -4.587  -2.056
  555    H    SER  74           H        SER  74  -0.924  -7.479  -0.547
  556    HA   SER  74           HA       SER  74   1.014  -8.051   0.517
  557   1HB   SER  74          2HB       SER  74   2.661  -7.224  -1.862
  558   2HB   SER  74          1HB       SER  74   3.004  -8.463  -0.655
  559    HG   SER  74           HG       SER  74   1.846  -9.855  -1.747
  560    H    LEU  75           H        LEU  75  -0.146  -5.245  -0.019
  561    HA   LEU  75           HA       LEU  75   2.158  -3.580   0.613
  562   1HB   LEU  75          2HB       LEU  75  -0.732  -2.772   0.280
  563   2HB   LEU  75          1HB       LEU  75   0.655  -1.702   0.325
  564    HG   LEU  75           HG       LEU  75  -0.169  -3.593  -1.861
  565   1HD1  LEU  75          1HD1      LEU  75  -0.349  -1.703  -3.208
  566   2HD1  LEU  75          2HD1      LEU  75   0.627  -0.718  -2.113
  567   3HD1  LEU  75          3HD1      LEU  75  -1.013  -1.179  -1.658
  568   1HD2  LEU  75          1HD2      LEU  75   2.035  -4.068  -1.973
  569   2HD2  LEU  75          2HD2      LEU  75   2.523  -2.571  -1.179
  570   3HD2  LEU  75          3HD2      LEU  75   2.051  -2.554  -2.878
  571    H    PHE  76           H        PHE  76   0.765  -5.638   2.417
  572    HA   PHE  76           HA       PHE  76  -0.258  -4.075   4.580
  573   1HB   PHE  76          2HB       PHE  76  -0.980  -6.449   3.919
  574   2HB   PHE  76          1HB       PHE  76   0.495  -6.984   4.718
  575    HD1  PHE  76           1HD      PHE  76  -2.893  -6.611   5.155
  576    HD2  PHE  76           2HD      PHE  76   0.778  -5.804   7.155
  577    HE1  PHE  76           1HE      PHE  76  -4.068  -6.619   7.312
  578    HE2  PHE  76           2HE      PHE  76  -0.397  -5.807   9.317
  579    HZ   PHE  76           HZ       PHE  76  -2.825  -6.215   9.395
  Start of MODEL   12
    1    HA   PRO   9           HA       PRO   9  -1.347  14.415   0.439
    2   1HB   PRO   9          2HB       PRO   9   0.742  16.260   1.249
    3   2HB   PRO   9          1HB       PRO   9  -0.118  16.153  -0.293
    4   1HG   PRO   9          2HG       PRO   9  -0.473  18.197   1.469
    5   2HG   PRO   9          1HG       PRO   9  -1.732  17.641   0.353
    6   1HD   PRO   9          2HD       PRO   9  -1.374  17.019   3.270
    7   2HD   PRO   9          1HD       PRO   9  -2.857  17.429   2.385
    8    H    GLY  10           H        GLY  10  -1.109  12.470   1.617
    9   1HA   GLY  10          2HA       GLY  10   0.609  12.270   3.891
   10   2HA   GLY  10          1HA       GLY  10  -0.054  10.930   2.970
   11    H    LEU  11           H        LEU  11   1.715   9.681   2.678
   12    HA   LEU  11           HA       LEU  11   4.284  10.699   2.104
   13   1HB   LEU  11          2HB       LEU  11   3.404   7.903   1.477
   14   2HB   LEU  11          1HB       LEU  11   4.992   8.465   1.962
   15    HG   LEU  11           HG       LEU  11   3.496   9.149   4.142
   16   1HD1  LEU  11          1HD1      LEU  11   2.108   6.996   2.709
   17   2HD1  LEU  11          2HD1      LEU  11   1.510   8.126   3.923
   18   3HD1  LEU  11          3HD1      LEU  11   2.406   6.691   4.420
   19   1HD2  LEU  11          1HD2      LEU  11   5.418   7.095   3.410
   20   2HD2  LEU  11          2HD2      LEU  11   4.366   6.603   4.737
   21   3HD2  LEU  11          3HD2      LEU  11   5.316   8.083   4.866
   22    H    GLN  12           H        GLN  12   5.467  10.641   0.169
   23    HA   GLN  12           HA       GLN  12   4.117  11.422  -2.122
   24   1HB   GLN  12          2HB       GLN  12   6.759  11.307  -1.295
   25   2HB   GLN  12          1HB       GLN  12   6.713  10.238  -2.691
   26   1HG   GLN  12          2HG       GLN  12   5.484  12.952  -2.838
   27   2HG   GLN  12          1HG       GLN  12   7.228  12.751  -3.010
   28   1HE2  GLN  12          1HE2      GLN  12   4.116  12.154  -4.423
   29   2HE2  GLN  12          2HE2      GLN  12   4.684  11.654  -5.976
   30    H    ILE  13           H        ILE  13   3.506  10.426  -3.981
   31    HA   ILE  13           HA       ILE  13   2.781   7.701  -3.871
   32    HB   ILE  13           HB       ILE  13   2.892   9.533  -6.261
   33   1HG1  ILE  13          2HG1      ILE  13   1.579  10.326  -4.220
   34   2HG1  ILE  13          1HG1      ILE  13   0.708  10.248  -5.744
   35   1HG2  ILE  13          1HG2      ILE  13   1.961   6.781  -5.888
   36   2HG2  ILE  13          2HG2      ILE  13   2.380   7.658  -7.360
   37   3HG2  ILE  13          3HG2      ILE  13   0.784   7.857  -6.643
   38   1HD1  ILE  13          1HD1      ILE  13   0.516   7.786  -4.234
   39   2HD1  ILE  13          2HD1      ILE  13  -0.756   8.787  -4.934
   40   3HD1  ILE  13          3HD1      ILE  13  -0.096   9.180  -3.345
   41    H    TYR  14           H        TYR  14   3.776   5.926  -4.564
   42    HA   TYR  14           HA       TYR  14   6.203   6.209  -6.207
   43   1HB   TYR  14          2HB       TYR  14   5.679   4.150  -4.050
   44   2HB   TYR  14          1HB       TYR  14   7.118   4.238  -5.059
   45    HD1  TYR  14           1HD      TYR  14   7.115   7.409  -4.872
   46    HD2  TYR  14           2HD      TYR  14   7.027   4.250  -2.029
   47    HE1  TYR  14           1HE      TYR  14   8.184   8.879  -3.215
   48    HE2  TYR  14           2HE      TYR  14   8.091   5.705  -0.365
   49    HH   TYR  14           HH       TYR  14   9.434   7.694  -0.243
   50    HA   PRO  15           HA       PRO  15   4.180   3.485  -9.020
   51   1HB   PRO  15          2HB       PRO  15   6.278   2.346 -10.285
   52   2HB   PRO  15          1HB       PRO  15   5.842   4.044 -10.511
   53   1HG   PRO  15          2HG       PRO  15   7.968   2.852  -8.773
   54   2HG   PRO  15          1HG       PRO  15   8.051   4.278  -9.822
   55   1HD   PRO  15          2HD       PRO  15   7.686   4.435  -7.132
   56   2HD   PRO  15          1HD       PRO  15   7.040   5.635  -8.267
   57    H    TYR  16           H        TYR  16   4.069   2.367  -6.524
   58    HA   TYR  16           HA       TYR  16   3.851   0.384  -5.417
   59   1HB   TYR  16          2HB       TYR  16   2.466  -0.029  -7.445
   60   2HB   TYR  16          1HB       TYR  16   3.857  -0.804  -8.186
   61    HD1  TYR  16           1HD      TYR  16   3.841  -3.106  -8.172
   62    HD2  TYR  16           2HD      TYR  16   1.962  -1.048  -4.956
   63    HE1  TYR  16           1HE      TYR  16   3.113  -5.252  -7.228
   64    HE2  TYR  16           2HE      TYR  16   1.236  -3.190  -3.999
   65    HH   TYR  16           HH       TYR  16   2.321  -5.811  -4.327
   66    H    GLU  17           H        GLU  17   5.741  -0.724  -8.136
   67    HA   GLU  17           HA       GLU  17   7.295  -2.585  -6.889
   68   1HB   GLU  17          2HB       GLU  17   8.824  -2.434  -8.749
   69   2HB   GLU  17          1HB       GLU  17   7.179  -2.240  -9.337
   70   1HG   GLU  17          2HG       GLU  17   7.733   0.316  -9.035
   71   2HG   GLU  17          1HG       GLU  17   9.391  -0.264  -9.192
   72    H    MET  18           H        MET  18   7.592   0.849  -6.715
   73    HA   MET  18           HA       MET  18  10.288   1.050  -5.964
   74   1HB   MET  18          2HB       MET  18   8.010   2.789  -6.120
   75   2HB   MET  18          1HB       MET  18   8.844   3.061  -4.596
   76   1HG   MET  18          2HG       MET  18  10.237   3.051  -7.258
   77   2HG   MET  18          1HG       MET  18   9.568   4.503  -6.516
   78   1HE   MET  18          1HE       MET  18  13.515   2.568  -5.869
   79   2HE   MET  18          2HE       MET  18  12.209   2.126  -6.969
   80   3HE   MET  18          3HE       MET  18  12.242   1.472  -5.331
   81    H    LEU  19           H        LEU  19   7.469   0.024  -4.310
   82    HA   LEU  19           HA       LEU  19   8.863  -0.028  -1.720
   83   1HB   LEU  19          2HB       LEU  19   5.941  -0.470  -2.276
   84   2HB   LEU  19          1HB       LEU  19   6.691  -0.175  -0.715
   85    HG   LEU  19           HG       LEU  19   7.131   1.977  -2.646
   86   1HD1  LEU  19          1HD1      LEU  19   5.048   2.496  -3.245
   87   2HD1  LEU  19          2HD1      LEU  19   4.409   2.148  -1.641
   88   3HD1  LEU  19          3HD1      LEU  19   4.630   0.845  -2.802
   89   1HD2  LEU  19          1HD2      LEU  19   7.636   2.738  -0.594
   90   2HD2  LEU  19          2HD2      LEU  19   6.579   1.583   0.211
   91   3HD2  LEU  19          3HD2      LEU  19   5.905   3.054  -0.486
   92    H    VAL  20           H        VAL  20   6.718  -1.896  -3.807
   93    HA   VAL  20           HA       VAL  20   6.580  -4.312  -2.574
   94    HB   VAL  20           HB       VAL  20   6.985  -3.928  -5.534
   95   1HG1  VAL  20          1HG1      VAL  20   7.059  -6.202  -5.211
   96   2HG1  VAL  20          2HG1      VAL  20   5.342  -5.934  -5.496
   97   3HG1  VAL  20          3HG1      VAL  20   5.941  -6.163  -3.852
   98   1HG2  VAL  20          1HG2      VAL  20   5.007  -2.834  -3.887
   99   2HG2  VAL  20          2HG2      VAL  20   4.255  -4.206  -4.692
  100   3HG2  VAL  20          3HG2      VAL  20   5.006  -2.930  -5.646
  101    H    VAL  21           H        VAL  21   7.890  -5.965  -2.113
  102    HA   VAL  21           HA       VAL  21  10.676  -5.695  -2.371
  103    HB   VAL  21           HB       VAL  21   9.161  -8.222  -1.723
  104   1HG1  VAL  21          1HG1      VAL  21  12.003  -7.396  -1.587
  105   2HG1  VAL  21          2HG1      VAL  21  11.294  -8.977  -1.916
  106   3HG1  VAL  21          3HG1      VAL  21  11.380  -8.378  -0.260
  107   1HG2  VAL  21          1HG2      VAL  21   8.867  -5.910  -0.359
  108   2HG2  VAL  21          2HG2      VAL  21  10.274  -6.588   0.460
  109   3HG2  VAL  21          3HG2      VAL  21   8.772  -7.508   0.380
  110    H    THR  22           H        THR  22  11.782  -5.930  -4.173
  111    HA   THR  22           HA       THR  22  10.866  -7.739  -6.241
  112    HB   THR  22           HB       THR  22  13.151  -6.306  -7.078
  113    HG1  THR  22           1HG      THR  22  11.209  -4.677  -5.821
  114   1HG2  THR  22          1HG2      THR  22  10.498  -5.302  -7.863
  115   2HG2  THR  22          2HG2      THR  22  10.850  -6.992  -8.225
  116   3HG2  THR  22          3HG2      THR  22  11.898  -5.719  -8.852
  117    H    ASN  23           H        ASN  23  13.354  -8.151  -7.522
  118    HA   ASN  23           HA       ASN  23  14.275 -10.477  -6.446
  119   1HB   ASN  23          2HB       ASN  23  14.931  -9.043  -8.640
  120   2HB   ASN  23          1HB       ASN  23  16.379  -8.787  -7.671
  121   1HD2  ASN  23          1HD2      ASN  23  14.204 -11.552  -8.130
  122   2HD2  ASN  23          2HD2      ASN  23  15.442 -12.667  -8.590
  123    H    LYS  24           H        LYS  24  15.808 -11.124  -4.975
  124    HA   LYS  24           HA       LYS  24  17.223 -11.030  -3.192
  125   1HB   LYS  24          2HB       LYS  24  17.735  -8.137  -3.876
  126   2HB   LYS  24          1HB       LYS  24  18.784  -9.237  -2.992
  127   1HG   LYS  24          2HG       LYS  24  18.051  -9.594  -5.887
  128   2HG   LYS  24          1HG       LYS  24  19.499  -8.752  -5.331
  129   1HD   LYS  24          2HD       LYS  24  18.832 -11.587  -4.562
  130   2HD   LYS  24          1HD       LYS  24  19.823 -11.170  -5.960
  131   1HE   LYS  24          2HE       LYS  24  21.548 -11.275  -4.539
  132   2HE   LYS  24          1HE       LYS  24  20.989  -9.704  -3.968
  133   1HZ   LYS  24          1HZ       LYS  24  20.354 -12.356  -2.800
  134   2HZ   LYS  24          2HZ       LYS  24  19.618 -10.914  -2.316
  135   3HZ   LYS  24          3HZ       LYS  24  21.281 -11.127  -2.098
  136    H    GLY  25           H        GLY  25  16.547 -10.989  -1.149
  137   1HA   GLY  25          2HA       GLY  25  14.388  -9.214  -0.398
  138   2HA   GLY  25          1HA       GLY  25  15.061 -10.509   0.576
  139    H    ARG  26           H        ARG  26  17.586  -8.643  -0.536
  140    HA   ARG  26           HA       ARG  26  17.951  -7.476   2.053
  141   1HB   ARG  26          2HB       ARG  26  19.661  -7.514  -0.423
  142   2HB   ARG  26          1HB       ARG  26  20.130  -6.684   1.053
  143   1HG   ARG  26          2HG       ARG  26  21.047  -8.581   1.733
  144   2HG   ARG  26          1HG       ARG  26  19.419  -9.247   1.873
  145   1HD   ARG  26          2HD       ARG  26  19.519 -10.101  -0.373
  146   2HD   ARG  26          1HD       ARG  26  21.064  -9.301  -0.652
  147    HE   ARG  26           HE       ARG  26  20.619 -11.788   0.717
  148   1HH1  ARG  26          1HH1      ARG  26  22.780  -9.071   0.351
  149   2HH1  ARG  26          2HH1      ARG  26  24.171  -9.943   0.900
  150   1HH2  ARG  26          1HH2      ARG  26  22.449 -12.937   1.441
  151   2HH2  ARG  26          2HH2      ARG  26  23.984 -12.137   1.517
  152    H    THR  27           H        THR  27  16.125  -6.485  -0.410
  153    HA   THR  27           HA       THR  27  16.957  -3.829  -0.832
  154    HB   THR  27           HB       THR  27  15.537  -4.436  -2.497
  155    HG1  THR  27           1HG      THR  27  14.696  -2.530  -1.730
  156   1HG2  THR  27          1HG2      THR  27  14.190  -6.081  -0.473
  157   2HG2  THR  27          2HG2      THR  27  14.529  -6.415  -2.171
  158   3HG2  THR  27          3HG2      THR  27  13.151  -5.408  -1.729
  159    H    LYS  28           H        LYS  28  15.740  -1.920  -0.255
  160    HA   LYS  28           HA       LYS  28  14.537  -2.078   2.428
  161   1HB   LYS  28          2HB       LYS  28  15.704  -0.050   3.090
  162   2HB   LYS  28          1HB       LYS  28  16.863  -1.280   2.606
  163   1HG   LYS  28          2HG       LYS  28  16.903  -0.155   0.338
  164   2HG   LYS  28          1HG       LYS  28  16.024   1.174   1.096
  165   1HD   LYS  28          2HD       LYS  28  18.409   0.262   2.555
  166   2HD   LYS  28          1HD       LYS  28  18.728   0.991   0.980
  167   1HE   LYS  28          2HE       LYS  28  16.990   2.277   3.074
  168   2HE   LYS  28          1HE       LYS  28  18.723   2.574   2.946
  169   1HZ   LYS  28          1HZ       LYS  28  18.452   3.543   0.832
  170   2HZ   LYS  28          2HZ       LYS  28  17.234   4.215   1.794
  171   3HZ   LYS  28          3HZ       LYS  28  16.856   2.997   0.684
  172    H    LEU  29           H        LEU  29  12.989  -0.453   2.915
  173    HA   LEU  29           HA       LEU  29  11.512   0.412   0.630
  174   1HB   LEU  29          2HB       LEU  29  11.080   0.447   3.579
  175   2HB   LEU  29          1HB       LEU  29  10.100   1.497   2.568
  176    HG   LEU  29           HG       LEU  29  10.229  -1.515   2.485
  177   1HD1  LEU  29          1HD1      LEU  29   8.309   0.513   3.484
  178   2HD1  LEU  29          2HD1      LEU  29   8.731  -1.070   4.139
  179   3HD1  LEU  29          3HD1      LEU  29   7.655  -0.950   2.745
  180   1HD2  LEU  29          1HD2      LEU  29   8.265  -0.973   0.780
  181   2HD2  LEU  29          2HD2      LEU  29   9.938  -1.165   0.256
  182   3HD2  LEU  29          3HD2      LEU  29   9.265   0.449   0.485
  183    HA   PRO  30           HA       PRO  30  12.783   4.575  -0.002
  184   1HB   PRO  30          2HB       PRO  30   9.942   5.334   0.548
  185   2HB   PRO  30          1HB       PRO  30  10.983   5.782  -0.811
  186   1HG   PRO  30          2HG       PRO  30   9.110   3.935  -1.125
  187   2HG   PRO  30          1HG       PRO  30  10.707   3.725  -1.865
  188   1HD   PRO  30          2HD       PRO  30   9.549   2.414   0.553
  189   2HD   PRO  30          1HD       PRO  30  10.638   1.748  -0.681
  190    HA   PRO  31           HA       PRO  31  13.432   6.400   3.975
  191   1HB   PRO  31          2HB       PRO  31  13.901   8.987   3.276
  192   2HB   PRO  31          1HB       PRO  31  15.075   7.691   3.020
  193   1HG   PRO  31          2HG       PRO  31  13.160   8.924   1.076
  194   2HG   PRO  31          1HG       PRO  31  14.861   8.480   0.843
  195   1HD   PRO  31          2HD       PRO  31  12.830   6.935  -0.043
  196   2HD   PRO  31          1HD       PRO  31  14.366   6.249   0.523
  197    H    GLY  32           H        GLY  32  11.083   5.993   4.421
  198   1HA   GLY  32          2HA       GLY  32   9.648   7.457   5.875
  199   2HA   GLY  32          1HA       GLY  32   9.563   8.527   4.482
  200    H    VAL  33           H        VAL  33   9.049   5.074   5.187
  201    HA   VAL  33           HA       VAL  33   6.598   5.200   3.649
  202    HB   VAL  33           HB       VAL  33   8.556   2.972   3.838
  203   1HG1  VAL  33          1HG1      VAL  33   5.761   2.984   2.781
  204   2HG1  VAL  33          2HG1      VAL  33   6.498   1.854   3.915
  205   3HG1  VAL  33          3HG1      VAL  33   6.963   1.826   2.215
  206   1HG2  VAL  33          1HG2      VAL  33   8.093   5.085   1.984
  207   2HG2  VAL  33          2HG2      VAL  33   7.888   3.525   1.189
  208   3HG2  VAL  33          3HG2      VAL  33   9.400   3.905   2.015
  209    H    ASP  34           H        ASP  34   4.876   3.950   4.277
  210    HA   ASP  34           HA       ASP  34   4.871   3.388   7.143
  211   1HB   ASP  34          2HB       ASP  34   3.278   5.001   5.632
  212   2HB   ASP  34          1HB       ASP  34   2.308   3.527   5.703
  213    H    ARG  35           H        ARG  35   5.471   1.261   7.278
  214    HA   ARG  35           HA       ARG  35   4.910  -0.820   5.574
  215   1HB   ARG  35          2HB       ARG  35   6.042  -0.549   8.109
  216   2HB   ARG  35          1HB       ARG  35   4.724  -1.690   8.338
  217   1HG   ARG  35          2HG       ARG  35   5.697  -2.897   6.284
  218   2HG   ARG  35          1HG       ARG  35   7.142  -1.934   6.595
  219   1HD   ARG  35          2HD       ARG  35   6.098  -3.178   9.005
  220   2HD   ARG  35          1HD       ARG  35   6.499  -4.359   7.758
  221    HE   ARG  35           HE       ARG  35   8.668  -2.725   7.827
  222   1HH1  ARG  35          1HH1      ARG  35   6.942  -4.565  10.238
  223   2HH1  ARG  35          2HH1      ARG  35   8.344  -4.829  11.220
  224   1HH2  ARG  35          1HH2      ARG  35  10.513  -3.071   9.117
  225   2HH2  ARG  35          2HH2      ARG  35  10.371  -3.981  10.584
  226    H    MET  36           H        MET  36   2.912   0.383   8.238
  227    HA   MET  36           HA       MET  36   0.815  -1.496   7.622
  228   1HB   MET  36          2HB       MET  36   1.044   0.638   9.736
  229   2HB   MET  36          1HB       MET  36  -0.342  -0.430   9.563
  230   1HG   MET  36          2HG       MET  36   0.690  -2.125  10.575
  231   2HG   MET  36          1HG       MET  36   2.196  -1.853   9.700
  232   1HE   MET  36          1HE       MET  36   3.905  -0.049  10.288
  233   2HE   MET  36          2HE       MET  36   4.007   0.815  11.821
  234   3HE   MET  36          3HE       MET  36   2.816   1.300  10.613
  235    H    ARG  37           H        ARG  37   1.720   1.122   6.080
  236    HA   ARG  37           HA       ARG  37  -0.953   1.740   5.169
  237   1HB   ARG  37          2HB       ARG  37   0.285   3.399   7.099
  238   2HB   ARG  37          1HB       ARG  37   0.362   4.269   5.574
  239   1HG   ARG  37          2HG       ARG  37  -1.642   4.949   6.563
  240   2HG   ARG  37          1HG       ARG  37  -2.120   3.768   5.343
  241   1HD   ARG  37          2HD       ARG  37  -2.745   2.215   6.893
  242   2HD   ARG  37          1HD       ARG  37  -1.570   2.773   8.083
  243    HE   ARG  37           HE       ARG  37  -3.693   4.647   7.582
  244   1HH1  ARG  37          1HH1      ARG  37  -2.713   1.865   9.447
  245   2HH1  ARG  37          2HH1      ARG  37  -3.817   2.187  10.741
  246   1HH2  ARG  37          1HH2      ARG  37  -5.147   5.072   9.283
  247   2HH2  ARG  37          2HH2      ARG  37  -5.200   4.007  10.648
  248    H    LEU  38           H        LEU  38   0.794   0.407   3.738
  249    HA   LEU  38           HA       LEU  38   2.601   1.968   2.219
  250   1HB   LEU  38          2HB       LEU  38   1.705  -0.785   2.375
  251   2HB   LEU  38          1HB       LEU  38   1.923  -0.283   0.719
  252    HG   LEU  38           HG       LEU  38   3.980  -1.196   1.213
  253   1HD1  LEU  38          1HD1      LEU  38   4.244   1.699   1.979
  254   2HD1  LEU  38          2HD1      LEU  38   4.364   1.019   0.356
  255   3HD1  LEU  38          3HD1      LEU  38   5.588   0.635   1.568
  256   1HD2  LEU  38          1HD2      LEU  38   3.306  -0.405   3.951
  257   2HD2  LEU  38          2HD2      LEU  38   5.021  -0.297   3.555
  258   3HD2  LEU  38          3HD2      LEU  38   4.163  -1.825   3.353
  259    H    GLU  39           H        GLU  39  -0.721   1.152   1.932
  260    HA   GLU  39           HA       GLU  39  -1.223   1.552  -0.760
  261   1HB   GLU  39          2HB       GLU  39  -3.515   1.914  -0.182
  262   2HB   GLU  39          1HB       GLU  39  -2.864   0.725   0.938
  263   1HG   GLU  39          2HG       GLU  39  -4.066   2.082   2.337
  264   2HG   GLU  39          1HG       GLU  39  -2.452   2.778   2.470
  265    H    ARG  40           H        ARG  40  -0.533   3.882   1.715
  266    HA   ARG  40           HA       ARG  40  -1.529   6.149   0.367
  267   1HB   ARG  40          2HB       ARG  40   0.194   5.666   2.724
  268   2HB   ARG  40          1HB       ARG  40   0.322   7.245   1.960
  269   1HG   ARG  40          2HG       ARG  40  -1.455   7.888   3.105
  270   2HG   ARG  40          1HG       ARG  40  -2.421   6.733   2.185
  271   1HD   ARG  40          2HD       ARG  40  -2.726   5.480   3.993
  272   2HD   ARG  40          1HD       ARG  40  -0.986   5.358   4.250
  273    HE   ARG  40           HE       ARG  40  -1.233   6.812   5.977
  274   1HH1  ARG  40          1HH1      ARG  40  -3.846   7.366   3.730
  275   2HH1  ARG  40          2HH1      ARG  40  -4.594   8.583   4.708
  276   1HH2  ARG  40          1HH2      ARG  40  -2.216   8.411   7.264
  277   2HH2  ARG  40          2HH2      ARG  40  -3.670   9.177   6.714
  278    H    HIS  41           H        HIS  41   1.004   4.167  -0.401
  279    HA   HIS  41           HA       HIS  41   2.608   6.298  -1.613
  280   1HB   HIS  41          2HB       HIS  41   3.149   3.377  -1.104
  281   2HB   HIS  41          1HB       HIS  41   4.209   4.380  -2.088
  282    HD1  HIS  41           1HD      HIS  41   5.491   6.310  -0.821
  283    HD2  HIS  41           2HD      HIS  41   3.449   3.641   1.610
  284    HE1  HIS  41           1HE      HIS  41   6.411   6.663   1.495
  285    HE2  HIS  41           2HE      HIS  41   4.952   5.237   2.965
  286    H    LEU  42           H        LEU  42   0.675   3.458  -2.390
  287    HA   LEU  42           HA       LEU  42   1.296   3.142  -5.065
  288   1HB   LEU  42          2HB       LEU  42  -0.907   2.462  -3.258
  289   2HB   LEU  42          1HB       LEU  42  -1.367   2.583  -4.934
  290    HG   LEU  42           HG       LEU  42   0.433   0.610  -3.612
  291   1HD1  LEU  42          1HD1      LEU  42  -1.988   0.658  -5.331
  292   2HD1  LEU  42          2HD1      LEU  42  -1.648  -0.296  -3.883
  293   3HD1  LEU  42          3HD1      LEU  42  -0.920  -0.746  -5.426
  294   1HD2  LEU  42          1HD2      LEU  42   0.784   1.757  -6.317
  295   2HD2  LEU  42          2HD2      LEU  42   0.824  -0.001  -6.202
  296   3HD2  LEU  42          3HD2      LEU  42   1.954   0.970  -5.260
  297    H    SER  43           H        SER  43   0.742   4.151  -6.895
  298    HA   SER  43           HA       SER  43  -0.470   6.731  -6.745
  299   1HB   SER  43          2HB       SER  43   1.103   5.348  -8.631
  300   2HB   SER  43          1HB       SER  43  -0.426   5.752  -9.414
  301    HG   SER  43           HG       SER  43   1.531   7.343  -9.216
  302    H    ALA  44           H        ALA  44  -2.352   7.298  -8.061
  303    HA   ALA  44           HA       ALA  44  -4.576   5.765  -7.351
  304   1HB   ALA  44          1HB       ALA  44  -4.436   7.748  -9.615
  305   2HB   ALA  44          2HB       ALA  44  -4.622   8.193  -7.916
  306   3HB   ALA  44          3HB       ALA  44  -5.878   7.256  -8.726
  307    H    GLU  45           H        GLU  45  -2.579   5.752 -10.190
  308    HA   GLU  45           HA       GLU  45  -4.264   4.133 -11.758
  309   1HB   GLU  45          2HB       GLU  45  -1.331   4.790 -11.997
  310   2HB   GLU  45          1HB       GLU  45  -2.230   3.867 -13.194
  311   1HG   GLU  45          2HG       GLU  45  -2.262   5.978 -14.094
  312   2HG   GLU  45          1HG       GLU  45  -3.800   5.929 -13.234
  313    H    ASP  46           H        ASP  46  -2.016   3.575  -9.218
  314    HA   ASP  46           HA       ASP  46  -1.725   0.814  -9.945
  315   1HB   ASP  46          2HB       ASP  46  -0.437   2.445  -7.775
  316   2HB   ASP  46          1HB       ASP  46  -0.255   0.692  -7.879
  317    H    PHE  47           H        PHE  47  -3.041   2.756  -7.260
  318    HA   PHE  47           HA       PHE  47  -3.857   0.587  -5.705
  319   1HB   PHE  47          2HB       PHE  47  -3.932   2.838  -4.801
  320   2HB   PHE  47          1HB       PHE  47  -5.144   3.300  -5.996
  321    HD1  PHE  47           1HD      PHE  47  -4.530   1.736  -2.815
  322    HD2  PHE  47           2HD      PHE  47  -7.412   2.278  -5.899
  323    HE1  PHE  47           1HE      PHE  47  -6.297   0.977  -1.294
  324    HE2  PHE  47           2HE      PHE  47  -9.187   1.543  -4.375
  325    HZ   PHE  47           HZ       PHE  47  -8.638   0.886  -2.073
  326    H    SER  48           H        SER  48  -5.658   2.466  -7.998
  327    HA   SER  48           HA       SER  48  -7.999   1.012  -8.023
  328   1HB   SER  48          2HB       SER  48  -6.693   2.784 -10.043
  329   2HB   SER  48          1HB       SER  48  -8.168   1.913 -10.467
  330    HG   SER  48           HG       SER  48  -8.818   3.845  -9.639
  331    H    ARG  49           H        ARG  49  -5.007   0.335  -9.583
  332    HA   ARG  49           HA       ARG  49  -6.160  -1.818 -11.094
  333   1HB   ARG  49          2HB       ARG  49  -3.593  -0.357 -11.170
  334   2HB   ARG  49          1HB       ARG  49  -3.575  -2.027 -11.714
  335   1HG   ARG  49          2HG       ARG  49  -5.583  -1.316 -13.184
  336   2HG   ARG  49          1HG       ARG  49  -5.000   0.321 -12.884
  337   1HD   ARG  49          2HD       ARG  49  -2.883  -1.536 -13.640
  338   2HD   ARG  49          1HD       ARG  49  -4.129  -1.366 -14.875
  339    HE   ARG  49           HE       ARG  49  -2.216   0.621 -14.046
  340   1HH1  ARG  49          1HH1      ARG  49  -5.298   0.063 -15.586
  341   2HH1  ARG  49          2HH1      ARG  49  -5.269   1.554 -16.466
  342   1HH2  ARG  49          1HH2      ARG  49  -2.177   2.582 -15.201
  343   2HH2  ARG  49          2HH2      ARG  49  -3.497   2.984 -16.248
  344    H    VAL  50           H        VAL  50  -4.520  -1.274  -8.215
  345    HA   VAL  50           HA       VAL  50  -3.433  -3.904  -7.948
  346    HB   VAL  50           HB       VAL  50  -3.355  -1.417  -6.312
  347   1HG1  VAL  50          1HG1      VAL  50  -1.994  -3.813  -5.253
  348   2HG1  VAL  50          2HG1      VAL  50  -3.709  -3.647  -4.904
  349   3HG1  VAL  50          3HG1      VAL  50  -2.578  -2.392  -4.406
  350   1HG2  VAL  50          1HG2      VAL  50  -1.424  -1.250  -7.323
  351   2HG2  VAL  50          2HG2      VAL  50  -1.683  -2.767  -8.159
  352   3HG2  VAL  50          3HG2      VAL  50  -0.874  -2.745  -6.591
  353    H    PHE  51           H        PHE  51  -5.970  -1.979  -6.358
  354    HA   PHE  51           HA       PHE  51  -6.912  -4.445  -5.100
  355   1HB   PHE  51          2HB       PHE  51  -7.563  -1.609  -4.292
  356   2HB   PHE  51          1HB       PHE  51  -7.926  -3.079  -3.393
  357    HD1  PHE  51           1HD      PHE  51  -6.039  -4.424  -2.453
  358    HD2  PHE  51           2HD      PHE  51  -5.484  -0.523  -4.065
  359    HE1  PHE  51           1HE      PHE  51  -3.893  -4.244  -1.271
  360    HE2  PHE  51           2HE      PHE  51  -3.346  -0.326  -2.862
  361    HZ   PHE  51           HZ       PHE  51  -2.539  -2.195  -1.472
  362    H    ALA  52           H        ALA  52  -7.545  -2.671  -7.743
  363    HA   ALA  52           HA       ALA  52  -9.317  -2.373  -9.123
  364   1HB   ALA  52          1HB       ALA  52  -9.309  -4.904  -8.308
  365   2HB   ALA  52          2HB       ALA  52 -10.490  -4.265  -9.457
  366   3HB   ALA  52          3HB       ALA  52 -10.916  -4.431  -7.750
  367    H    MET  53           H        MET  53  -9.244  -0.602  -7.034
  368    HA   MET  53           HA       MET  53 -12.065  -0.025  -6.668
  369   1HB   MET  53          2HB       MET  53 -10.217  -0.757  -4.558
  370   2HB   MET  53          1HB       MET  53 -10.866   0.852  -4.298
  371   1HG   MET  53          2HG       MET  53 -13.012   0.102  -4.034
  372   2HG   MET  53          1HG       MET  53 -12.724  -1.381  -4.944
  373   1HE   MET  53          1HE       MET  53  -9.784  -2.155  -3.267
  374   2HE   MET  53          2HE       MET  53 -10.969  -3.160  -4.107
  375   3HE   MET  53          3HE       MET  53 -10.598  -3.470  -2.414
  376    H    SER  54           H        SER  54 -11.880   2.270  -5.225
  377    HA   SER  54           HA       SER  54 -10.315   3.989  -6.985
  378   1HB   SER  54          2HB       SER  54 -11.886   5.788  -5.937
  379   2HB   SER  54          1HB       SER  54 -12.529   4.714  -7.176
  380    HG   SER  54           HG       SER  54 -13.199   4.938  -4.536
  381    HA   PRO  55           HA       PRO  55  -7.276   4.636  -3.843
  382   1HB   PRO  55          2HB       PRO  55  -7.308   7.469  -4.376
  383   2HB   PRO  55          1HB       PRO  55  -6.078   6.287  -4.825
  384   1HG   PRO  55          2HG       PRO  55  -8.322   7.359  -6.422
  385   2HG   PRO  55          1HG       PRO  55  -6.794   6.650  -6.968
  386   1HD   PRO  55          2HD       PRO  55  -9.115   5.360  -7.242
  387   2HD   PRO  55          1HD       PRO  55  -7.620   4.485  -6.834
  388    H    GLU  56           H        GLU  56 -10.001   6.773  -4.173
  389    HA   GLU  56           HA       GLU  56  -9.985   7.814  -1.580
  390   1HB   GLU  56          2HB       GLU  56 -12.374   8.406  -2.232
  391   2HB   GLU  56          1HB       GLU  56 -11.085   9.125  -3.171
  392   1HG   GLU  56          2HG       GLU  56 -12.140   6.581  -4.181
  393   2HG   GLU  56          1HG       GLU  56 -13.275   7.926  -4.195
  394    H    GLU  57           H        GLU  57 -11.765   5.194  -3.143
  395    HA   GLU  57           HA       GLU  57 -13.575   4.549  -1.259
  396   1HB   GLU  57          2HB       GLU  57 -12.127   3.087  -3.331
  397   2HB   GLU  57          1HB       GLU  57 -12.719   2.082  -2.033
  398   1HG   GLU  57          2HG       GLU  57 -14.565   4.030  -3.307
  399   2HG   GLU  57          1HG       GLU  57 -14.173   2.533  -4.150
  400    H    PHE  58           H        PHE  58 -10.247   3.772  -1.394
  401    HA   PHE  58           HA       PHE  58 -10.075   2.234   0.957
  402   1HB   PHE  58          2HB       PHE  58  -8.317   2.933  -1.070
  403   2HB   PHE  58          1HB       PHE  58  -7.649   3.729   0.350
  404    HD1  PHE  58           1HD      PHE  58  -9.304   0.454  -0.271
  405    HD2  PHE  58           2HD      PHE  58  -5.935   2.515   1.276
  406    HE1  PHE  58           1HE      PHE  58  -8.341  -1.681   0.456
  407    HE2  PHE  58           2HE      PHE  58  -4.961   0.385   2.007
  408    HZ   PHE  58           HZ       PHE  58  -6.169  -1.706   1.592
  409    H    GLY  59           H        GLY  59  -9.582   5.675   0.244
  410   1HA   GLY  59          2HA       GLY  59  -8.739   6.459   2.810
  411   2HA   GLY  59          1HA       GLY  59  -9.533   7.500   1.639
  412    H    LYS  60           H        LYS  60 -11.814   5.363   1.786
  413    HA   LYS  60           HA       LYS  60 -13.064   6.532   4.104
  414   1HB   LYS  60          2HB       LYS  60 -14.424   5.382   1.687
  415   2HB   LYS  60          1HB       LYS  60 -15.209   6.224   3.016
  416   1HG   LYS  60          2HG       LYS  60 -13.124   7.534   1.300
  417   2HG   LYS  60          1HG       LYS  60 -14.837   7.533   0.879
  418   1HD   LYS  60          2HD       LYS  60 -14.989   9.388   2.118
  419   2HD   LYS  60          1HD       LYS  60 -14.844   8.324   3.518
  420   1HE   LYS  60          2HE       LYS  60 -12.236   8.659   2.809
  421   2HE   LYS  60          1HE       LYS  60 -12.922  10.225   2.377
  422   1HZ   LYS  60          1HZ       LYS  60 -13.281  10.754   4.519
  423   2HZ   LYS  60          2HZ       LYS  60 -12.069   9.614   4.819
  424   3HZ   LYS  60          3HZ       LYS  60 -13.696   9.177   4.972
  425    H    LEU  61           H        LEU  61 -12.181   3.571   2.659
  426    HA   LEU  61           HA       LEU  61 -13.920   1.772   3.840
  427   1HB   LEU  61          2HB       LEU  61 -11.064   1.583   2.979
  428   2HB   LEU  61          1HB       LEU  61 -11.838   0.225   3.758
  429    HG   LEU  61           HG       LEU  61 -12.963   1.519   1.287
  430   1HD1  LEU  61          1HD1      LEU  61 -11.494  -1.047   1.148
  431   2HD1  LEU  61          2HD1      LEU  61 -10.553   0.434   1.232
  432   3HD1  LEU  61          3HD1      LEU  61 -11.711   0.200  -0.077
  433   1HD2  LEU  61          1HD2      LEU  61 -13.470  -1.058   2.744
  434   2HD2  LEU  61          2HD2      LEU  61 -14.001  -0.776   1.088
  435   3HD2  LEU  61          3HD2      LEU  61 -14.608   0.241   2.393
  436    H    ALA  62           H        ALA  62 -12.596   0.001   5.388
  437    HA   ALA  62           HA       ALA  62 -12.218   1.494   7.886
  438   1HB   ALA  62          1HB       ALA  62 -12.692  -1.474   7.628
  439   2HB   ALA  62          2HB       ALA  62 -14.010  -0.296   7.673
  440   3HB   ALA  62          3HB       ALA  62 -12.915  -0.441   9.046
  441    H    LEU  63           H        LEU  63 -10.863  -0.295   9.408
  442    HA   LEU  63           HA       LEU  63  -8.231  -0.212   8.192
  443   1HB   LEU  63          2HB       LEU  63  -9.222   0.081  10.823
  444   2HB   LEU  63          1HB       LEU  63  -8.199  -1.344  10.821
  445    HG   LEU  63           HG       LEU  63  -6.892   0.579  11.457
  446   1HD1  LEU  63          1HD1      LEU  63  -6.157  -1.224   9.598
  447   2HD1  LEU  63          2HD1      LEU  63  -5.084   0.021  10.236
  448   3HD1  LEU  63          3HD1      LEU  63  -5.910   0.272   8.698
  449   1HD2  LEU  63          1HD2      LEU  63  -8.248   1.797   9.132
  450   2HD2  LEU  63          2HD2      LEU  63  -6.566   2.255   9.395
  451   3HD2  LEU  63          3HD2      LEU  63  -7.759   2.514  10.667
  452    H    TRP  64           H        TRP  64 -10.672  -2.435   8.986
  453    HA   TRP  64           HA       TRP  64  -9.033  -4.745   8.903
  454   1HB   TRP  64          2HB       TRP  64 -11.258  -5.948   8.977
  455   2HB   TRP  64          1HB       TRP  64 -10.921  -4.884  10.337
  456    HD1  TRP  64           HD       TRP  64 -12.312  -2.512  10.389
  457    HE1  TRP  64           1HE      TRP  64 -14.629  -1.938   9.407
  458    HE3  TRP  64           3HE      TRP  64 -12.802  -6.364   7.106
  459    HZ2  TRP  64           2HZ      TRP  64 -16.425  -2.981   7.533
  460    HZ3  TRP  64           3HZ      TRP  64 -14.856  -6.521   5.748
  461    HH2  TRP  64           HH       TRP  64 -16.625  -4.849   5.966
  462    H    LYS  65           H        LYS  65 -11.660  -3.494   6.839
  463    HA   LYS  65           HA       LYS  65 -11.321  -5.362   4.800
  464   1HB   LYS  65          2HB       LYS  65 -12.410  -3.551   3.339
  465   2HB   LYS  65          1HB       LYS  65 -13.329  -4.143   4.712
  466   1HG   LYS  65          2HG       LYS  65 -12.059  -2.029   5.814
  467   2HG   LYS  65          1HG       LYS  65 -12.260  -1.485   4.152
  468   1HD   LYS  65          2HD       LYS  65 -14.356  -2.228   6.156
  469   2HD   LYS  65          1HD       LYS  65 -14.216  -0.758   5.202
  470   1HE   LYS  65          2HE       LYS  65 -14.454  -2.678   3.267
  471   2HE   LYS  65          1HE       LYS  65 -15.484  -3.314   4.549
  472   1HZ   LYS  65          1HZ       LYS  65 -15.771  -0.486   3.883
  473   2HZ   LYS  65          2HZ       LYS  65 -16.945  -1.613   4.346
  474   3HZ   LYS  65          3HZ       LYS  65 -16.363  -1.605   2.759
  475    H    ARG  66           H        ARG  66  -9.746  -2.308   5.464
  476    HA   ARG  66           HA       ARG  66  -8.315  -2.074   3.052
  477   1HB   ARG  66          2HB       ARG  66  -8.251  -0.896   5.756
  478   2HB   ARG  66          1HB       ARG  66  -6.718  -0.887   4.909
  479   1HG   ARG  66          2HG       ARG  66  -8.227   0.079   2.953
  480   2HG   ARG  66          1HG       ARG  66  -9.226   0.580   4.319
  481   1HD   ARG  66          2HD       ARG  66  -7.448   2.218   3.477
  482   2HD   ARG  66          1HD       ARG  66  -7.537   1.923   5.213
  483    HE   ARG  66           HE       ARG  66  -5.697   0.165   3.952
  484   1HH1  ARG  66          1HH1      ARG  66  -6.066   3.448   5.084
  485   2HH1  ARG  66          2HH1      ARG  66  -4.372   3.677   5.356
  486   1HH2  ARG  66          1HH2      ARG  66  -3.466   0.469   4.308
  487   2HH2  ARG  66          2HH2      ARG  66  -2.896   1.987   4.914
  488    H    ASN  67           H        ASN  67  -7.702  -3.672   6.144
  489    HA   ASN  67           HA       ASN  67  -5.054  -4.422   5.652
  490   1HB   ASN  67          2HB       ASN  67  -7.169  -5.035   7.595
  491   2HB   ASN  67          1HB       ASN  67  -5.992  -6.317   7.366
  492   1HD2  ASN  67          1HD2      ASN  67  -6.466  -4.654   9.690
  493   2HD2  ASN  67          2HD2      ASN  67  -4.980  -3.840  10.022
  494    H    GLU  68           H        GLU  68  -8.140  -6.138   5.134
  495    HA   GLU  68           HA       GLU  68  -6.943  -8.490   4.214
  496   1HB   GLU  68          2HB       GLU  68  -9.083  -9.281   3.714
  497   2HB   GLU  68          1HB       GLU  68  -9.307  -8.211   5.091
  498   1HG   GLU  68          2HG       GLU  68 -10.136  -6.481   3.699
  499   2HG   GLU  68          1HG       GLU  68  -9.710  -7.374   2.245
  500    H    LEU  69           H        LEU  69  -7.521  -5.507   2.740
  501    HA   LEU  69           HA       LEU  69  -7.337  -6.547   0.032
  502   1HB   LEU  69          2HB       LEU  69  -7.667  -3.767   1.152
  503   2HB   LEU  69          1HB       LEU  69  -7.470  -4.090  -0.566
  504    HG   LEU  69           HG       LEU  69  -9.709  -5.142   1.157
  505   1HD1  LEU  69          1HD1      LEU  69  -9.497  -2.812  -0.712
  506   2HD1  LEU  69          2HD1      LEU  69 -10.165  -2.872   0.919
  507   3HD1  LEU  69          3HD1      LEU  69 -11.041  -3.610  -0.421
  508   1HD2  LEU  69          1HD2      LEU  69  -8.675  -6.116  -1.238
  509   2HD2  LEU  69          2HD2      LEU  69 -10.125  -5.219  -1.690
  510   3HD2  LEU  69          3HD2      LEU  69 -10.227  -6.520  -0.504
  511    H    LYS  70           H        LYS  70  -5.539  -4.280   2.082
  512    HA   LYS  70           HA       LYS  70  -3.416  -3.774   0.401
  513   1HB   LYS  70          2HB       LYS  70  -2.605  -2.630   2.158
  514   2HB   LYS  70          1HB       LYS  70  -4.128  -3.024   2.917
  515   1HG   LYS  70          2HG       LYS  70  -2.869  -5.154   3.724
  516   2HG   LYS  70          1HG       LYS  70  -1.431  -4.192   3.383
  517   1HD   LYS  70          2HD       LYS  70  -3.673  -3.099   5.048
  518   2HD   LYS  70          1HD       LYS  70  -2.417  -4.113   5.759
  519   1HE   LYS  70          2HE       LYS  70  -0.838  -2.506   5.587
  520   2HE   LYS  70          1HE       LYS  70  -1.470  -1.902   4.056
  521   1HZ   LYS  70          1HZ       LYS  70  -3.402  -1.077   5.571
  522   2HZ   LYS  70          2HZ       LYS  70  -1.970  -0.186   5.458
  523   3HZ   LYS  70          3HZ       LYS  70  -2.239  -1.185   6.796
  524    H    LYS  71           H        LYS  71  -4.052  -6.544   2.412
  525    HA   LYS  71           HA       LYS  71  -1.480  -7.680   2.151
  526   1HB   LYS  71          2HB       LYS  71  -2.630  -8.474   4.010
  527   2HB   LYS  71          1HB       LYS  71  -4.134  -8.638   3.125
  528   1HG   LYS  71          2HG       LYS  71  -2.439 -10.464   1.905
  529   2HG   LYS  71          1HG       LYS  71  -2.041 -10.576   3.618
  530   1HD   LYS  71          2HD       LYS  71  -3.832 -12.140   2.941
  531   2HD   LYS  71          1HD       LYS  71  -4.352 -10.992   4.175
  532   1HE   LYS  71          2HE       LYS  71  -5.640  -9.764   2.661
  533   2HE   LYS  71          1HE       LYS  71  -4.802 -10.436   1.264
  534   1HZ   LYS  71          1HZ       LYS  71  -6.144 -12.407   2.883
  535   2HZ   LYS  71          2HZ       LYS  71  -6.162 -12.191   1.206
  536   3HZ   LYS  71          3HZ       LYS  71  -7.191 -11.275   2.186
  537    H    LYS  72           H        LYS  72  -4.328  -7.658   0.244
  538    HA   LYS  72           HA       LYS  72  -3.739  -9.858  -1.382
  539   1HB   LYS  72          2HB       LYS  72  -5.723  -7.762  -1.318
  540   2HB   LYS  72          1HB       LYS  72  -5.172  -8.049  -2.962
  541   1HG   LYS  72          2HG       LYS  72  -6.322  -9.940  -3.110
  542   2HG   LYS  72          1HG       LYS  72  -5.696 -10.526  -1.567
  543   1HD   LYS  72          2HD       LYS  72  -7.577  -8.392  -1.133
  544   2HD   LYS  72          1HD       LYS  72  -8.302  -9.648  -2.139
  545   1HE   LYS  72          2HE       LYS  72  -6.842 -10.245   0.420
  546   2HE   LYS  72          1HE       LYS  72  -8.572  -9.910   0.366
  547   1HZ   LYS  72          1HZ       LYS  72  -8.469 -11.773  -1.470
  548   2HZ   LYS  72          2HZ       LYS  72  -8.602 -12.160   0.172
  549   3HZ   LYS  72          3HZ       LYS  72  -7.099 -12.245  -0.598
  550    H    ALA  73           H        ALA  73  -2.787  -6.569  -1.308
  551    HA   ALA  73           HA       ALA  73  -1.351  -6.772  -3.811
  552   1HB   ALA  73          1HB       ALA  73  -2.764  -4.793  -3.344
  553   2HB   ALA  73          2HB       ALA  73  -1.077  -4.392  -3.676
  554   3HB   ALA  73          3HB       ALA  73  -1.677  -4.383  -2.019
  555    H    SER  74           H        SER  74  -0.802  -7.363  -0.563
  556    HA   SER  74           HA       SER  74   1.105  -7.948   0.545
  557   1HB   SER  74          2HB       SER  74   2.794  -6.997  -1.760
  558   2HB   SER  74          1HB       SER  74   3.153  -8.251  -0.573
  559    HG   SER  74           HG       SER  74   1.921  -8.471  -2.954
  560    H    LEU  75           H        LEU  75  -0.102  -5.183   0.257
  561    HA   LEU  75           HA       LEU  75   2.165  -3.477   0.915
  562   1HB   LEU  75          2HB       LEU  75  -0.772  -2.804   0.723
  563   2HB   LEU  75          1HB       LEU  75   0.540  -1.656   0.881
  564    HG   LEU  75           HG       LEU  75  -0.194  -3.326  -1.498
  565   1HD1  LEU  75          1HD1      LEU  75  -0.557  -1.332  -2.582
  566   2HD1  LEU  75          2HD1      LEU  75   0.512  -0.429  -1.507
  567   3HD1  LEU  75          3HD1      LEU  75  -1.079  -0.940  -0.942
  568   1HD2  LEU  75          1HD2      LEU  75   2.076  -3.691  -1.546
  569   2HD2  LEU  75          2HD2      LEU  75   2.452  -2.142  -0.791
  570   3HD2  LEU  75          3HD2      LEU  75   1.933  -2.200  -2.476
  571    H    PHE  76           H        PHE  76   0.750  -5.699   2.628
  572    HA   PHE  76           HA       PHE  76  -0.108  -4.240   4.932
  573   1HB   PHE  76          2HB       PHE  76  -0.910  -6.573   4.104
  574   2HB   PHE  76          1HB       PHE  76   0.514  -7.172   4.949
  575    HD1  PHE  76           1HD      PHE  76   0.728  -5.940   7.404
  576    HD2  PHE  76           2HD      PHE  76  -2.859  -6.797   5.275
  577    HE1  PHE  76           1HE      PHE  76  -0.527  -5.936   9.520
  578    HE2  PHE  76           2HE      PHE  76  -4.115  -6.796   7.387
  579    HZ   PHE  76           HZ       PHE  76  -2.954  -6.363   9.512
  Start of MODEL   13
    1    HA   PRO   9           HA       PRO   9   0.349  15.831   5.942
    2   1HB   PRO   9          2HB       PRO   9   2.515  16.197   4.154
    3   2HB   PRO   9          1HB       PRO   9   2.005  17.272   5.462
    4   1HG   PRO   9          2HG       PRO   9   4.116  15.181   5.446
    5   2HG   PRO   9          1HG       PRO   9   4.050  16.710   6.341
    6   1HD   PRO   9          2HD       PRO   9   3.649  14.387   7.588
    7   2HD   PRO   9          1HD       PRO   9   2.683  15.815   8.009
    8    H    GLY  10           H        GLY  10   2.636  13.609   4.328
    9   1HA   GLY  10          2HA       GLY  10   0.859  11.949   3.082
   10   2HA   GLY  10          1HA       GLY  10   0.944  13.347   2.020
   11    H    LEU  11           H        LEU  11   2.219  10.358   2.620
   12    HA   LEU  11           HA       LEU  11   4.941  10.773   2.002
   13   1HB   LEU  11          2HB       LEU  11   3.502   8.209   1.447
   14   2HB   LEU  11          1HB       LEU  11   5.158   8.450   1.969
   15    HG   LEU  11           HG       LEU  11   3.482   9.499   4.004
   16   1HD1  LEU  11          1HD1      LEU  11   2.000   7.664   2.641
   17   2HD1  LEU  11          2HD1      LEU  11   1.803   8.059   4.349
   18   3HD1  LEU  11          3HD1      LEU  11   2.772   6.664   3.873
   19   1HD2  LEU  11          1HD2      LEU  11   5.558   7.458   3.645
   20   2HD2  LEU  11          2HD2      LEU  11   4.473   7.181   5.007
   21   3HD2  LEU  11          3HD2      LEU  11   5.378   8.691   4.894
   22    H    GLN  12           H        GLN  12   6.037  10.658   0.085
   23    HA   GLN  12           HA       GLN  12   4.724  11.429  -2.247
   24   1HB   GLN  12          2HB       GLN  12   7.355  11.262  -1.386
   25   2HB   GLN  12          1HB       GLN  12   7.287  10.157  -2.751
   26   1HG   GLN  12          2HG       GLN  12   6.203  12.939  -2.928
   27   2HG   GLN  12          1HG       GLN  12   7.908  12.586  -3.203
   28   1HE2  GLN  12          1HE2      GLN  12   4.650  12.065  -4.356
   29   2HE2  GLN  12          2HE2      GLN  12   5.083  11.543  -5.945
   30    H    ILE  13           H        ILE  13   3.970  10.385  -3.982
   31    HA   ILE  13           HA       ILE  13   3.261   7.659  -3.806
   32    HB   ILE  13           HB       ILE  13   3.236   9.476  -6.210
   33   1HG1  ILE  13          2HG1      ILE  13   2.039  10.282  -4.102
   34   2HG1  ILE  13          1HG1      ILE  13   1.087  10.200  -5.577
   35   1HG2  ILE  13          1HG2      ILE  13   2.260   6.740  -5.736
   36   2HG2  ILE  13          2HG2      ILE  13   2.714   7.551  -7.235
   37   3HG2  ILE  13          3HG2      ILE  13   1.127   7.836  -6.527
   38   1HD1  ILE  13          1HD1      ILE  13   0.919   7.723  -4.159
   39   2HD1  ILE  13          2HD1      ILE  13  -0.365   8.839  -4.616
   40   3HD1  ILE  13          3HD1      ILE  13   0.502   9.067  -3.098
   41    H    TYR  14           H        TYR  14   4.063   5.871  -4.772
   42    HA   TYR  14           HA       TYR  14   6.440   6.143  -6.484
   43   1HB   TYR  14          2HB       TYR  14   6.068   3.902  -4.496
   44   2HB   TYR  14          1HB       TYR  14   7.509   4.288  -5.424
   45    HD1  TYR  14           1HD      TYR  14   7.558   7.267  -4.933
   46    HD2  TYR  14           2HD      TYR  14   6.920   3.987  -2.311
   47    HE1  TYR  14           1HE      TYR  14   8.418   8.604  -3.056
   48    HE2  TYR  14           2HE      TYR  14   7.762   5.304  -0.431
   49    HH   TYR  14           HH       TYR  14   9.367   8.312  -0.866
   50    HA   PRO  15           HA       PRO  15   4.267   3.344  -9.104
   51   1HB   PRO  15          2HB       PRO  15   6.212   2.042 -10.409
   52   2HB   PRO  15          1HB       PRO  15   5.964   3.780 -10.610
   53   1HG   PRO  15          2HG       PRO  15   7.997   2.332  -8.969
   54   2HG   PRO  15          1HG       PRO  15   8.184   3.797  -9.949
   55   1HD   PRO  15          2HD       PRO  15   7.841   3.765  -7.206
   56   2HD   PRO  15          1HD       PRO  15   7.483   5.151  -8.252
   57    H    TYR  16           H        TYR  16   4.221   2.323  -6.542
   58    HA   TYR  16           HA       TYR  16   3.848   0.402  -5.368
   59   1HB   TYR  16          2HB       TYR  16   2.327  -0.028  -7.237
   60   2HB   TYR  16          1HB       TYR  16   3.639  -0.779  -8.133
   61    HD1  TYR  16           1HD      TYR  16   2.129  -1.154  -4.709
   62    HD2  TYR  16           2HD      TYR  16   3.532  -3.063  -8.242
   63    HE1  TYR  16           1HE      TYR  16   1.495  -3.337  -3.770
   64    HE2  TYR  16           2HE      TYR  16   2.904  -5.249  -7.316
   65    HH   TYR  16           HH       TYR  16   1.245  -6.111  -5.595
   66    H    GLU  17           H        GLU  17   5.634  -0.824  -8.112
   67    HA   GLU  17           HA       GLU  17   7.032  -2.852  -6.985
   68   1HB   GLU  17          2HB       GLU  17   7.700  -0.977  -9.216
   69   2HB   GLU  17          1HB       GLU  17   8.882  -2.173  -8.704
   70   1HG   GLU  17          2HG       GLU  17   6.935  -3.855  -8.983
   71   2HG   GLU  17          1HG       GLU  17   6.205  -2.581  -9.958
   72    H    MET  18           H        MET  18   7.619   0.535  -6.578
   73    HA   MET  18           HA       MET  18  10.270   0.362  -5.622
   74   1HB   MET  18          2HB       MET  18   8.195   2.413  -5.816
   75   2HB   MET  18          1HB       MET  18   9.212   2.595  -4.394
   76   1HG   MET  18          2HG       MET  18  10.649   2.079  -6.902
   77   2HG   MET  18          1HG       MET  18   9.784   3.612  -6.827
   78   1HE   MET  18          1HE       MET  18  12.760   1.773  -6.333
   79   2HE   MET  18          2HE       MET  18  13.824   2.770  -5.341
   80   3HE   MET  18          3HE       MET  18  13.272   3.359  -6.909
   81    H    LEU  19           H        LEU  19   7.183  -0.191  -4.212
   82    HA   LEU  19           HA       LEU  19   8.357  -0.447  -1.531
   83   1HB   LEU  19          2HB       LEU  19   5.450  -0.223  -2.268
   84   2HB   LEU  19          1HB       LEU  19   6.155  -0.076  -0.665
   85    HG   LEU  19           HG       LEU  19   7.370   1.879  -2.343
   86   1HD1  LEU  19          1HD1      LEU  19   4.361   1.847  -2.474
   87   2HD1  LEU  19          2HD1      LEU  19   5.481   1.718  -3.826
   88   3HD1  LEU  19          3HD1      LEU  19   5.373   3.218  -2.911
   89   1HD2  LEU  19          1HD2      LEU  19   6.692   1.687   0.210
   90   2HD2  LEU  19          2HD2      LEU  19   5.301   2.614  -0.353
   91   3HD2  LEU  19          3HD2      LEU  19   6.933   3.241  -0.581
   92    H    VAL  20           H        VAL  20   7.046  -2.193  -4.152
   93    HA   VAL  20           HA       VAL  20   5.710  -4.306  -2.997
   94    HB   VAL  20           HB       VAL  20   7.485  -4.243  -5.433
   95   1HG1  VAL  20          1HG1      VAL  20   5.697  -6.483  -4.498
   96   2HG1  VAL  20          2HG1      VAL  20   7.452  -6.539  -4.647
   97   3HG1  VAL  20          3HG1      VAL  20   6.448  -6.381  -6.088
   98   1HG2  VAL  20          1HG2      VAL  20   4.522  -4.118  -4.964
   99   2HG2  VAL  20          2HG2      VAL  20   5.228  -4.428  -6.550
  100   3HG2  VAL  20          3HG2      VAL  20   5.558  -2.912  -5.717
  101    H    VAL  21           H        VAL  21   6.244  -5.829  -1.614
  102    HA   VAL  21           HA       VAL  21   9.053  -6.562  -1.323
  103    HB   VAL  21           HB       VAL  21   6.899  -6.698   0.786
  104   1HG1  VAL  21          1HG1      VAL  21   9.663  -7.723   0.636
  105   2HG1  VAL  21          2HG1      VAL  21   8.281  -8.311   1.560
  106   3HG1  VAL  21          3HG1      VAL  21   9.206  -6.927   2.142
  107   1HG2  VAL  21          1HG2      VAL  21   8.152  -4.445  -0.071
  108   2HG2  VAL  21          2HG2      VAL  21   9.228  -4.971   1.222
  109   3HG2  VAL  21          3HG2      VAL  21   7.520  -4.683   1.558
  110    H    THR  22           H        THR  22   9.442  -8.493  -2.191
  111    HA   THR  22           HA       THR  22   7.630 -10.672  -1.659
  112    HB   THR  22           HB       THR  22   8.647 -10.713  -4.381
  113    HG1  THR  22           1HG      THR  22   8.037  -8.474  -4.048
  114   1HG2  THR  22          1HG2      THR  22   5.903 -10.939  -4.449
  115   2HG2  THR  22          2HG2      THR  22   6.364 -11.691  -2.921
  116   3HG2  THR  22          3HG2      THR  22   7.070 -12.262  -4.433
  117    H    ASN  23           H        ASN  23   8.954 -12.518  -3.406
  118    HA   ASN  23           HA       ASN  23  11.149 -13.200  -1.740
  119   1HB   ASN  23          2HB       ASN  23  10.269 -14.483  -4.326
  120   2HB   ASN  23          1HB       ASN  23  11.338 -15.194  -3.120
  121   1HD2  ASN  23          1HD2      ASN  23  10.470 -16.355  -1.539
  122   2HD2  ASN  23          2HD2      ASN  23   8.783 -16.463  -1.187
  123    H    LYS  24           H        LYS  24  11.070 -10.899  -3.998
  124    HA   LYS  24           HA       LYS  24  13.371 -11.534  -5.536
  125   1HB   LYS  24          2HB       LYS  24  11.788  -9.003  -5.176
  126   2HB   LYS  24          1HB       LYS  24  13.208  -9.091  -6.209
  127   1HG   LYS  24          2HG       LYS  24  11.961  -9.847  -7.869
  128   2HG   LYS  24          1HG       LYS  24  11.506 -11.249  -6.898
  129   1HD   LYS  24          2HD       LYS  24   9.685  -9.929  -5.891
  130   2HD   LYS  24          1HD       LYS  24  10.127  -8.564  -6.918
  131   1HE   LYS  24          2HE       LYS  24   8.874  -9.376  -8.559
  132   2HE   LYS  24          1HE       LYS  24   9.823 -10.862  -8.566
  133   1HZ   LYS  24          1HZ       LYS  24   8.354 -11.895  -7.112
  134   2HZ   LYS  24          2HZ       LYS  24   7.330 -11.042  -8.153
  135   3HZ   LYS  24          3HZ       LYS  24   7.655 -10.440  -6.605
  136    H    GLY  25           H        GLY  25  13.181 -10.893  -2.371
  137   1HA   GLY  25          2HA       GLY  25  15.348 -10.748  -1.219
  138   2HA   GLY  25          1HA       GLY  25  15.776  -9.485  -2.364
  139    H    ARG  26           H        ARG  26  15.357  -9.733   0.692
  140    HA   ARG  26           HA       ARG  26  13.257  -7.967   1.344
  141   1HB   ARG  26          2HB       ARG  26  14.864  -7.721   3.499
  142   2HB   ARG  26          1HB       ARG  26  13.750  -9.055   3.259
  143   1HG   ARG  26          2HG       ARG  26  15.984  -9.770   4.002
  144   2HG   ARG  26          1HG       ARG  26  15.524 -10.461   2.446
  145   1HD   ARG  26          2HD       ARG  26  17.164  -9.377   1.339
  146   2HD   ARG  26          1HD       ARG  26  16.987  -7.914   2.304
  147    HE   ARG  26           HE       ARG  26  18.124  -9.651   4.032
  148   1HH1  ARG  26          1HH1      ARG  26  18.939  -8.638   0.794
  149   2HH1  ARG  26          2HH1      ARG  26  20.641  -8.862   1.017
  150   1HH2  ARG  26          1HH2      ARG  26  20.364  -9.944   4.329
  151   2HH2  ARG  26          2HH2      ARG  26  21.451  -9.603   3.024
  152    H    THR  27           H        THR  27  13.976  -6.453  -0.479
  153    HA   THR  27           HA       THR  27  16.190  -4.760  -0.072
  154    HB   THR  27           HB       THR  27  15.583  -4.620  -2.248
  155    HG1  THR  27           1HG      THR  27  15.569  -2.502  -1.551
  156   1HG2  THR  27          1HG2      THR  27  13.678  -5.831  -2.580
  157   2HG2  THR  27          2HG2      THR  27  13.073  -4.200  -2.873
  158   3HG2  THR  27          3HG2      THR  27  12.788  -4.980  -1.317
  159    H    LYS  28           H        LYS  28  16.085  -2.446   0.266
  160    HA   LYS  28           HA       LYS  28  14.612  -1.860   2.673
  161   1HB   LYS  28          2HB       LYS  28  15.840   0.268   2.646
  162   2HB   LYS  28          1HB       LYS  28  16.918  -1.106   2.449
  163   1HG   LYS  28          2HG       LYS  28  15.929   0.102  -0.045
  164   2HG   LYS  28          1HG       LYS  28  17.005   1.108   0.926
  165   1HD   LYS  28          2HD       LYS  28  18.800  -0.169   0.474
  166   2HD   LYS  28          1HD       LYS  28  17.888  -1.672   0.630
  167   1HE   LYS  28          2HE       LYS  28  16.847  -0.649  -1.663
  168   2HE   LYS  28          1HE       LYS  28  18.512  -0.073  -1.753
  169   1HZ   LYS  28          1HZ       LYS  28  19.134  -2.470  -1.230
  170   2HZ   LYS  28          2HZ       LYS  28  18.547  -2.145  -2.784
  171   3HZ   LYS  28          3HZ       LYS  28  17.536  -2.860  -1.632
  172    H    LEU  29           H        LEU  29  13.079  -0.229   2.965
  173    HA   LEU  29           HA       LEU  29  11.387   0.229   0.711
  174   1HB   LEU  29          2HB       LEU  29  11.232   0.744   3.637
  175   2HB   LEU  29          1HB       LEU  29  10.173   1.661   2.576
  176    HG   LEU  29           HG       LEU  29  10.264  -1.341   2.882
  177   1HD1  LEU  29          1HD1      LEU  29   8.564   0.828   3.937
  178   2HD1  LEU  29          2HD1      LEU  29   8.959  -0.746   4.627
  179   3HD1  LEU  29          3HD1      LEU  29   7.730  -0.618   3.369
  180   1HD2  LEU  29          1HD2      LEU  29   9.819  -0.991   0.600
  181   2HD2  LEU  29          2HD2      LEU  29   8.799   0.410   0.929
  182   3HD2  LEU  29          3HD2      LEU  29   8.238  -1.208   1.353
  183    HA   PRO  30           HA       PRO  30  12.632   4.208  -0.697
  184   1HB   PRO  30          2HB       PRO  30   9.822   5.096  -0.256
  185   2HB   PRO  30          1HB       PRO  30  10.819   5.200  -1.712
  186   1HG   PRO  30          2HG       PRO  30   8.888   3.381  -1.525
  187   2HG   PRO  30          1HG       PRO  30  10.438   2.985  -2.291
  188   1HD   PRO  30          2HD       PRO  30   9.412   2.239   0.411
  189   2HD   PRO  30          1HD       PRO  30  10.408   1.299  -0.717
  190    HA   PRO  31           HA       PRO  31  13.270   6.942   2.706
  191   1HB   PRO  31          2HB       PRO  31  13.034   9.421   1.608
  192   2HB   PRO  31          1HB       PRO  31  14.425   8.367   1.328
  193   1HG   PRO  31          2HG       PRO  31  12.034   8.847  -0.407
  194   2HG   PRO  31          1HG       PRO  31  13.743   8.725  -0.865
  195   1HD   PRO  31          2HD       PRO  31  12.012   6.676  -1.184
  196   2HD   PRO  31          1HD       PRO  31  13.725   6.417  -0.799
  197    H    GLY  32           H        GLY  32  11.635   6.722   4.171
  198   1HA   GLY  32          2HA       GLY  32   9.935   7.647   5.469
  199   2HA   GLY  32          1HA       GLY  32   9.610   8.797   4.180
  200    H    VAL  33           H        VAL  33   9.317   5.327   4.898
  201    HA   VAL  33           HA       VAL  33   6.821   5.307   3.432
  202    HB   VAL  33           HB       VAL  33   8.851   3.161   3.715
  203   1HG1  VAL  33          1HG1      VAL  33   6.036   2.945   2.693
  204   2HG1  VAL  33          2HG1      VAL  33   6.763   2.049   4.026
  205   3HG1  VAL  33          3HG1      VAL  33   7.286   1.745   2.370
  206   1HG2  VAL  33          1HG2      VAL  33   8.227   5.100   1.737
  207   2HG2  VAL  33          2HG2      VAL  33   7.998   3.484   1.068
  208   3HG2  VAL  33          3HG2      VAL  33   9.554   3.939   1.767
  209    H    ASP  34           H        ASP  34   5.135   4.057   4.181
  210    HA   ASP  34           HA       ASP  34   5.211   3.709   7.081
  211   1HB   ASP  34          2HB       ASP  34   3.556   5.195   5.498
  212   2HB   ASP  34          1HB       ASP  34   2.603   3.725   5.719
  213    H    ARG  35           H        ARG  35   5.843   1.605   7.335
  214    HA   ARG  35           HA       ARG  35   5.163  -0.587   5.780
  215   1HB   ARG  35          2HB       ARG  35   6.902  -0.602   7.534
  216   2HB   ARG  35          1HB       ARG  35   5.646  -0.550   8.765
  217   1HG   ARG  35          2HG       ARG  35   5.129  -2.723   6.982
  218   2HG   ARG  35          1HG       ARG  35   6.798  -2.809   7.549
  219   1HD   ARG  35          2HD       ARG  35   4.488  -2.375   9.422
  220   2HD   ARG  35          1HD       ARG  35   5.025  -3.987   8.952
  221    HE   ARG  35           HE       ARG  35   6.252  -2.280  10.853
  222   1HH1  ARG  35          1HH1      ARG  35   6.997  -4.620   8.373
  223   2HH1  ARG  35          2HH1      ARG  35   8.493  -5.099   9.099
  224   1HH2  ARG  35          1HH2      ARG  35   8.220  -2.910  11.810
  225   2HH2  ARG  35          2HH2      ARG  35   9.188  -4.128  11.051
  226    H    MET  36           H        MET  36   3.355   1.025   8.293
  227    HA   MET  36           HA       MET  36   1.291  -0.999   8.257
  228   1HB   MET  36          2HB       MET  36   1.280   1.525   9.887
  229   2HB   MET  36          1HB       MET  36   0.387   0.039  10.185
  230   1HG   MET  36          2HG       MET  36   2.396  -1.120  10.781
  231   2HG   MET  36          1HG       MET  36   3.384   0.262  10.311
  232   1HE   MET  36          1HE       MET  36   3.501   2.412  11.395
  233   2HE   MET  36          2HE       MET  36   3.026   2.792  13.050
  234   3HE   MET  36          3HE       MET  36   1.831   2.855  11.754
  235    H    ARG  37           H        ARG  37   2.005   1.423   6.272
  236    HA   ARG  37           HA       ARG  37  -0.714   1.728   5.385
  237   1HB   ARG  37          2HB       ARG  37   0.085   3.583   7.218
  238   2HB   ARG  37          1HB       ARG  37   0.554   4.370   5.718
  239   1HG   ARG  37          2HG       ARG  37  -1.549   5.150   5.779
  240   2HG   ARG  37          1HG       ARG  37  -1.936   3.579   5.074
  241   1HD   ARG  37          2HD       ARG  37  -3.420   3.594   6.808
  242   2HD   ARG  37          1HD       ARG  37  -2.033   2.858   7.612
  243    HE   ARG  37           HE       ARG  37  -1.826   4.734   8.914
  244   1HH1  ARG  37          1HH1      ARG  37  -3.980   5.422   6.256
  245   2HH1  ARG  37          2HH1      ARG  37  -4.485   6.949   6.897
  246   1HH2  ARG  37          1HH2      ARG  37  -2.489   6.743   9.759
  247   2HH2  ARG  37          2HH2      ARG  37  -3.638   7.700   8.885
  248    H    LEU  38           H        LEU  38   1.071   0.458   4.003
  249    HA   LEU  38           HA       LEU  38   2.771   1.999   2.364
  250   1HB   LEU  38          2HB       LEU  38   1.976  -0.763   2.671
  251   2HB   LEU  38          1HB       LEU  38   2.107  -0.341   0.983
  252    HG   LEU  38           HG       LEU  38   4.215  -1.153   1.427
  253   1HD1  LEU  38          1HD1      LEU  38   4.414   1.777   2.069
  254   2HD1  LEU  38          2HD1      LEU  38   4.472   1.042   0.467
  255   3HD1  LEU  38          3HD1      LEU  38   5.770   0.742   1.623
  256   1HD2  LEU  38          1HD2      LEU  38   3.620  -0.270   4.154
  257   2HD2  LEU  38          2HD2      LEU  38   5.313  -0.114   3.686
  258   3HD2  LEU  38          3HD2      LEU  38   4.510  -1.681   3.583
  259    H    GLU  39           H        GLU  39  -0.531   1.097   2.201
  260    HA   GLU  39           HA       GLU  39  -1.115   1.383  -0.496
  261   1HB   GLU  39          2HB       GLU  39  -2.908   2.229   1.785
  262   2HB   GLU  39          1HB       GLU  39  -3.409   1.763   0.165
  263   1HG   GLU  39          2HG       GLU  39  -3.785  -0.225   1.119
  264   2HG   GLU  39          1HG       GLU  39  -2.049  -0.443   0.908
  265    H    ARG  40           H        ARG  40  -0.447   3.808   1.898
  266    HA   ARG  40           HA       ARG  40  -1.528   5.994   0.466
  267   1HB   ARG  40          2HB       ARG  40   0.220   5.674   2.849
  268   2HB   ARG  40          1HB       ARG  40   0.195   7.241   2.051
  269   1HG   ARG  40          2HG       ARG  40  -2.463   6.134   2.526
  270   2HG   ARG  40          1HG       ARG  40  -1.533   6.418   3.999
  271   1HD   ARG  40          2HD       ARG  40  -1.665   8.648   3.792
  272   2HD   ARG  40          1HD       ARG  40  -1.370   8.597   2.055
  273    HE   ARG  40           HE       ARG  40  -3.973   7.659   2.633
  274   1HH1  ARG  40          1HH1      ARG  40  -2.098  10.600   2.503
  275   2HH1  ARG  40          2HH1      ARG  40  -3.465  11.605   2.158
  276   1HH2  ARG  40          1HH2      ARG  40  -5.773   8.979   2.177
  277   2HH2  ARG  40          2HH2      ARG  40  -5.552  10.685   1.972
  278    H    HIS  41           H        HIS  41   1.095   4.081  -0.175
  279    HA   HIS  41           HA       HIS  41   2.662   6.223  -1.406
  280   1HB   HIS  41          2HB       HIS  41   3.266   3.332  -0.806
  281   2HB   HIS  41          1HB       HIS  41   4.306   4.321  -1.825
  282    HD1  HIS  41           1HD      HIS  41   5.525   6.333  -0.655
  283    HD2  HIS  41           2HD      HIS  41   3.523   3.756   1.904
  284    HE1  HIS  41           1HE      HIS  41   6.410   6.841   1.640
  285    HE2  HIS  41           2HE      HIS  41   4.953   5.487   3.178
  286    H    LEU  42           H        LEU  42   0.653   3.477  -2.184
  287    HA   LEU  42           HA       LEU  42   1.375   3.052  -4.837
  288   1HB   LEU  42          2HB       LEU  42  -0.900   2.488  -3.079
  289   2HB   LEU  42          1HB       LEU  42  -1.313   2.598  -4.769
  290    HG   LEU  42           HG       LEU  42   0.349   0.568  -3.361
  291   1HD1  LEU  42          1HD1      LEU  42  -1.983   0.717  -5.187
  292   2HD1  LEU  42          2HD1      LEU  42  -1.754  -0.250  -3.725
  293   3HD1  LEU  42          3HD1      LEU  42  -0.979  -0.736  -5.233
  294   1HD2  LEU  42          1HD2      LEU  42   0.839   1.634  -6.090
  295   2HD2  LEU  42          2HD2      LEU  42   0.871  -0.116  -5.880
  296   3HD2  LEU  42          3HD2      LEU  42   1.961   0.904  -4.942
  297    H    SER  43           H        SER  43   0.956   4.099  -6.684
  298    HA   SER  43           HA       SER  43  -0.165   6.711  -6.602
  299   1HB   SER  43          2HB       SER  43   1.369   5.238  -8.440
  300   2HB   SER  43          1HB       SER  43  -0.136   5.669  -9.253
  301    HG   SER  43           HG       SER  43   0.278   7.852  -8.579
  302    H    ALA  44           H        ALA  44  -2.003   7.345  -7.965
  303    HA   ALA  44           HA       ALA  44  -4.303   5.925  -7.250
  304   1HB   ALA  44          1HB       ALA  44  -4.057   7.889  -9.521
  305   2HB   ALA  44          2HB       ALA  44  -4.232   8.350  -7.826
  306   3HB   ALA  44          3HB       ALA  44  -5.526   7.468  -8.638
  307    H    GLU  45           H        GLU  45  -2.297   5.820 -10.086
  308    HA   GLU  45           HA       GLU  45  -4.043   4.255 -11.645
  309   1HB   GLU  45          2HB       GLU  45  -1.098   4.844 -11.879
  310   2HB   GLU  45          1HB       GLU  45  -1.987   3.889 -13.057
  311   1HG   GLU  45          2HG       GLU  45  -1.952   5.994 -14.004
  312   2HG   GLU  45          1HG       GLU  45  -3.536   5.933 -13.232
  313    H    ASP  46           H        ASP  46  -1.829   3.634  -9.095
  314    HA   ASP  46           HA       ASP  46  -1.621   0.862  -9.810
  315   1HB   ASP  46          2HB       ASP  46  -0.292   2.474  -7.649
  316   2HB   ASP  46          1HB       ASP  46  -0.174   0.714  -7.718
  317    H    PHE  47           H        PHE  47  -2.900   2.857  -7.151
  318    HA   PHE  47           HA       PHE  47  -3.809   0.716  -5.601
  319   1HB   PHE  47          2HB       PHE  47  -3.784   2.983  -4.716
  320   2HB   PHE  47          1HB       PHE  47  -4.991   3.475  -5.904
  321    HD1  PHE  47           1HD      PHE  47  -7.261   2.316  -5.829
  322    HD2  PHE  47           2HD      PHE  47  -4.431   2.148  -2.654
  323    HE1  PHE  47           1HE      PHE  47  -9.044   1.687  -4.276
  324    HE2  PHE  47           2HE      PHE  47  -6.215   1.500  -1.097
  325    HZ   PHE  47           HZ       PHE  47  -8.533   1.270  -1.911
  326    H    SER  48           H        SER  48  -5.558   2.702  -7.842
  327    HA   SER  48           HA       SER  48  -7.937   1.335  -7.932
  328   1HB   SER  48          2HB       SER  48  -8.479   2.560  -9.853
  329   2HB   SER  48          1HB       SER  48  -7.286   3.574  -9.043
  330    HG   SER  48           HG       SER  48  -6.586   3.460 -11.100
  331    H    ARG  49           H        ARG  49  -4.954   0.558  -9.473
  332    HA   ARG  49           HA       ARG  49  -6.179  -1.546 -10.996
  333   1HB   ARG  49          2HB       ARG  49  -3.411  -0.405 -10.978
  334   2HB   ARG  49          1HB       ARG  49  -3.799  -1.880 -11.853
  335   1HG   ARG  49          2HG       ARG  49  -5.619  -0.503 -13.004
  336   2HG   ARG  49          1HG       ARG  49  -4.780   0.907 -12.353
  337   1HD   ARG  49          2HD       ARG  49  -2.716  -0.491 -13.435
  338   2HD   ARG  49          1HD       ARG  49  -4.027  -0.906 -14.538
  339    HE   ARG  49           HE       ARG  49  -3.780   1.912 -13.970
  340   1HH1  ARG  49          1HH1      ARG  49  -2.792  -0.710 -16.054
  341   2HH1  ARG  49          2HH1      ARG  49  -2.391   0.329 -17.378
  342   1HH2  ARG  49          1HH2      ARG  49  -3.252   3.279 -15.713
  343   2HH2  ARG  49          2HH2      ARG  49  -2.653   2.593 -17.187
  344    H    VAL  50           H        VAL  50  -4.524  -1.088  -8.111
  345    HA   VAL  50           HA       VAL  50  -3.525  -3.757  -7.860
  346    HB   VAL  50           HB       VAL  50  -3.404  -1.288  -6.201
  347   1HG1  VAL  50          1HG1      VAL  50  -2.104  -3.678  -5.092
  348   2HG1  VAL  50          2HG1      VAL  50  -3.838  -3.567  -4.848
  349   3HG1  VAL  50          3HG1      VAL  50  -2.780  -2.285  -4.269
  350   1HG2  VAL  50          1HG2      VAL  50  -1.439  -1.173  -7.144
  351   2HG2  VAL  50          2HG2      VAL  50  -1.736  -2.660  -8.025
  352   3HG2  VAL  50          3HG2      VAL  50  -0.962  -2.705  -6.439
  353    H    PHE  51           H        PHE  51  -5.994  -1.755  -6.288
  354    HA   PHE  51           HA       PHE  51  -7.029  -4.159  -4.990
  355   1HB   PHE  51          2HB       PHE  51  -7.607  -1.267  -4.331
  356   2HB   PHE  51          1HB       PHE  51  -8.087  -2.676  -3.387
  357    HD1  PHE  51           1HD      PHE  51  -5.540  -0.232  -3.955
  358    HD2  PHE  51           2HD      PHE  51  -6.250  -4.143  -2.429
  359    HE1  PHE  51           1HE      PHE  51  -3.433  -0.119  -2.691
  360    HE2  PHE  51           2HE      PHE  51  -4.140  -4.043  -1.179
  361    HZ   PHE  51           HZ       PHE  51  -2.719  -2.032  -1.306
  362    H    ALA  52           H        ALA  52  -7.562  -2.475  -7.709
  363    HA   ALA  52           HA       ALA  52  -9.258  -2.267  -9.179
  364   1HB   ALA  52          1HB       ALA  52  -9.313  -4.738  -8.212
  365   2HB   ALA  52          2HB       ALA  52 -10.429  -4.165  -9.458
  366   3HB   ALA  52          3HB       ALA  52 -10.942  -4.225  -7.767
  367    H    MET  53           H        MET  53  -9.291  -0.436  -7.012
  368    HA   MET  53           HA       MET  53 -11.981   0.450  -7.254
  369   1HB   MET  53          2HB       MET  53 -12.694   0.437  -5.033
  370   2HB   MET  53          1HB       MET  53 -11.970  -1.146  -5.252
  371   1HG   MET  53          2HG       MET  53  -9.857  -0.111  -4.263
  372   2HG   MET  53          1HG       MET  53 -10.907   1.211  -3.750
  373   1HE   MET  53          1HE       MET  53 -10.082  -2.382  -3.767
  374   2HE   MET  53          2HE       MET  53 -11.768  -2.881  -3.635
  375   3HE   MET  53          3HE       MET  53 -10.686  -3.054  -2.253
  376    H    SER  54           H        SER  54 -12.254   2.677  -6.289
  377    HA   SER  54           HA       SER  54 -10.086   4.274  -7.079
  378   1HB   SER  54          2HB       SER  54 -11.525   6.030  -5.663
  379   2HB   SER  54          1HB       SER  54 -12.026   5.473  -7.258
  380    HG   SER  54           HG       SER  54 -13.107   4.940  -4.769
  381    HA   PRO  55           HA       PRO  55  -7.456   4.574  -3.619
  382   1HB   PRO  55          2HB       PRO  55  -7.488   7.521  -3.992
  383   2HB   PRO  55          1HB       PRO  55  -6.113   6.408  -3.998
  384   1HG   PRO  55          2HG       PRO  55  -6.988   7.451  -6.284
  385   2HG   PRO  55          1HG       PRO  55  -6.493   5.750  -6.208
  386   1HD   PRO  55          2HD       PRO  55  -9.247   6.914  -6.187
  387   2HD   PRO  55          1HD       PRO  55  -8.620   5.510  -7.079
  388    H    GLU  56           H        GLU  56 -10.042   6.855  -3.909
  389    HA   GLU  56           HA       GLU  56 -10.298   7.580  -1.228
  390   1HB   GLU  56          2HB       GLU  56 -12.653   8.170  -2.057
  391   2HB   GLU  56          1HB       GLU  56 -11.301   9.056  -2.728
  392   1HG   GLU  56          2HG       GLU  56 -11.421   7.814  -4.750
  393   2HG   GLU  56          1HG       GLU  56 -12.572   6.676  -4.048
  394    H    GLU  57           H        GLU  57 -11.741   5.116  -3.274
  395    HA   GLU  57           HA       GLU  57 -13.741   4.134  -1.770
  396   1HB   GLU  57          2HB       GLU  57 -11.895   3.016  -3.728
  397   2HB   GLU  57          1HB       GLU  57 -12.588   1.832  -2.650
  398   1HG   GLU  57          2HG       GLU  57 -14.476   3.749  -3.829
  399   2HG   GLU  57          1HG       GLU  57 -13.718   2.619  -4.950
  400    H    PHE  58           H        PHE  58 -10.377   3.738  -1.372
  401    HA   PHE  58           HA       PHE  58 -10.432   1.917   0.797
  402   1HB   PHE  58          2HB       PHE  58  -8.461   2.946  -0.870
  403   2HB   PHE  58          1HB       PHE  58  -8.074   3.622   0.705
  404    HD1  PHE  58           1HD      PHE  58  -6.315   2.441   1.601
  405    HD2  PHE  58           2HD      PHE  58  -9.452   0.330  -0.320
  406    HE1  PHE  58           1HE      PHE  58  -5.285   0.321   2.272
  407    HE2  PHE  58           2HE      PHE  58  -8.432  -1.801   0.346
  408    HZ   PHE  58           HZ       PHE  58  -6.351  -1.796   1.642
  409    H    GLY  59           H        GLY  59  -9.944   5.417   0.481
  410   1HA   GLY  59          2HA       GLY  59  -9.561   6.035   3.172
  411   2HA   GLY  59          1HA       GLY  59 -10.278   7.122   1.991
  412    H    LYS  60           H        LYS  60 -12.450   5.016   1.586
  413    HA   LYS  60           HA       LYS  60 -14.096   5.932   3.749
  414   1HB   LYS  60          2HB       LYS  60 -14.687   4.885   1.023
  415   2HB   LYS  60          1HB       LYS  60 -15.946   4.901   2.250
  416   1HG   LYS  60          2HG       LYS  60 -16.001   7.218   2.347
  417   2HG   LYS  60          1HG       LYS  60 -14.397   7.383   1.631
  418   1HD   LYS  60          2HD       LYS  60 -16.545   6.100   0.018
  419   2HD   LYS  60          1HD       LYS  60 -16.587   7.851   0.231
  420   1HE   LYS  60          2HE       LYS  60 -14.826   8.177  -1.120
  421   2HE   LYS  60          1HE       LYS  60 -13.947   6.795  -0.466
  422   1HZ   LYS  60          1HZ       LYS  60 -14.376   6.181  -2.638
  423   2HZ   LYS  60          2HZ       LYS  60 -15.924   6.859  -2.652
  424   3HZ   LYS  60          3HZ       LYS  60 -15.637   5.426  -1.802
  425    H    LEU  61           H        LEU  61 -12.809   3.038   2.431
  426    HA   LEU  61           HA       LEU  61 -14.441   1.093   3.507
  427   1HB   LEU  61          2HB       LEU  61 -11.500   1.163   2.944
  428   2HB   LEU  61          1HB       LEU  61 -12.254  -0.266   3.605
  429    HG   LEU  61           HG       LEU  61 -13.241   0.981   1.062
  430   1HD1  LEU  61          1HD1      LEU  61 -11.539  -1.359   0.764
  431   2HD1  LEU  61          2HD1      LEU  61 -10.678   0.051   1.371
  432   3HD1  LEU  61          3HD1      LEU  61 -11.566   0.148  -0.149
  433   1HD2  LEU  61          1HD2      LEU  61 -13.485  -1.728   2.340
  434   2HD2  LEU  61          2HD2      LEU  61 -13.935  -1.404   0.668
  435   3HD2  LEU  61          3HD2      LEU  61 -14.771  -0.577   1.983
  436    H    ALA  62           H        ALA  62 -13.138  -0.544   5.170
  437    HA   ALA  62           HA       ALA  62 -13.076   0.958   7.685
  438   1HB   ALA  62          1HB       ALA  62 -13.221  -2.041   7.390
  439   2HB   ALA  62          2HB       ALA  62 -14.655  -1.008   7.331
  440   3HB   ALA  62          3HB       ALA  62 -13.659  -1.047   8.785
  441    H    LEU  63           H        LEU  63 -11.654  -0.739   9.276
  442    HA   LEU  63           HA       LEU  63  -8.968  -0.354   8.244
  443   1HB   LEU  63          2HB       LEU  63 -10.174  -0.277  10.824
  444   2HB   LEU  63          1HB       LEU  63  -8.930  -1.514  10.841
  445    HG   LEU  63           HG       LEU  63  -7.958   0.539  11.596
  446   1HD1  LEU  63          1HD1      LEU  63  -6.893  -0.978   9.649
  447   2HD1  LEU  63          2HD1      LEU  63  -6.062   0.392  10.386
  448   3HD1  LEU  63          3HD1      LEU  63  -6.900   0.592   8.846
  449   1HD2  LEU  63          1HD2      LEU  63  -7.877   2.430   9.766
  450   2HD2  LEU  63          2HD2      LEU  63  -9.232   2.302  10.889
  451   3HD2  LEU  63          3HD2      LEU  63  -9.385   1.677   9.247
  452    H    TRP  64           H        TRP  64 -11.212  -2.827   8.856
  453    HA   TRP  64           HA       TRP  64  -9.345  -4.958   8.843
  454   1HB   TRP  64          2HB       TRP  64 -11.434  -6.381   8.803
  455   2HB   TRP  64          1HB       TRP  64 -11.289  -5.291  10.178
  456    HD1  TRP  64           HD       TRP  64 -12.922  -3.091  10.161
  457    HE1  TRP  64           1HE      TRP  64 -15.215  -2.736   9.031
  458    HE3  TRP  64           3HE      TRP  64 -12.804  -6.918   6.815
  459    HZ2  TRP  64           2HZ      TRP  64 -16.769  -3.924   7.033
  460    HZ3  TRP  64           3HZ      TRP  64 -14.738  -7.259   5.323
  461    HH2  TRP  64           HH       TRP  64 -16.678  -5.776   5.439
  462    H    LYS  65           H        LYS  65 -11.970  -3.955   6.641
  463    HA   LYS  65           HA       LYS  65 -11.361  -5.783   4.632
  464   1HB   LYS  65          2HB       LYS  65 -12.481  -4.034   3.101
  465   2HB   LYS  65          1HB       LYS  65 -13.443  -4.733   4.389
  466   1HG   LYS  65          2HG       LYS  65 -12.465  -2.551   5.629
  467   2HG   LYS  65          1HG       LYS  65 -12.551  -1.982   3.965
  468   1HD   LYS  65          2HD       LYS  65 -14.762  -2.942   5.743
  469   2HD   LYS  65          1HD       LYS  65 -14.651  -1.440   4.836
  470   1HE   LYS  65          2HE       LYS  65 -14.549  -3.310   2.848
  471   2HE   LYS  65          1HE       LYS  65 -15.632  -4.072   4.011
  472   1HZ   LYS  65          1HZ       LYS  65 -17.196  -2.452   3.759
  473   2HZ   LYS  65          2HZ       LYS  65 -16.532  -2.432   2.204
  474   3HZ   LYS  65          3HZ       LYS  65 -16.077  -1.257   3.333
  475    H    ARG  66           H        ARG  66 -10.190  -2.532   5.263
  476    HA   ARG  66           HA       ARG  66  -8.589  -2.186   3.007
  477   1HB   ARG  66          2HB       ARG  66  -8.834  -1.040   5.701
  478   2HB   ARG  66          1HB       ARG  66  -7.231  -0.912   5.012
  479   1HG   ARG  66          2HG       ARG  66  -8.646  -0.059   2.918
  480   2HG   ARG  66          1HG       ARG  66  -9.759   0.391   4.209
  481   1HD   ARG  66          2HD       ARG  66  -7.988   2.105   3.442
  482   2HD   ARG  66          1HD       ARG  66  -8.246   1.869   5.169
  483    HE   ARG  66           HE       ARG  66  -6.186   0.179   4.154
  484   1HH1  ARG  66          1HH1      ARG  66  -6.865   3.447   5.184
  485   2HH1  ARG  66          2HH1      ARG  66  -5.234   3.766   5.672
  486   1HH2  ARG  66          1HH2      ARG  66  -4.043   0.598   4.808
  487   2HH2  ARG  66          2HH2      ARG  66  -3.631   2.150   5.455
  488    H    ASN  67           H        ASN  67  -7.967  -3.702   6.164
  489    HA   ASN  67           HA       ASN  67  -5.254  -4.247   5.746
  490   1HB   ASN  67          2HB       ASN  67  -7.365  -4.999   7.643
  491   2HB   ASN  67          1HB       ASN  67  -6.110  -6.210   7.444
  492   1HD2  ASN  67          1HD2      ASN  67  -6.782  -4.483   9.720
  493   2HD2  ASN  67          2HD2      ASN  67  -5.335  -3.619  10.097
  494    H    GLU  68           H        GLU  68  -8.172  -6.248   5.285
  495    HA   GLU  68           HA       GLU  68  -6.840  -8.515   4.377
  496   1HB   GLU  68          2HB       GLU  68  -9.652  -7.587   3.830
  497   2HB   GLU  68          1HB       GLU  68  -9.046  -9.194   3.450
  498   1HG   GLU  68          2HG       GLU  68  -8.398  -9.080   6.045
  499   2HG   GLU  68          1HG       GLU  68  -9.802  -8.014   6.042
  500    H    LEU  69           H        LEU  69  -7.593  -5.583   2.839
  501    HA   LEU  69           HA       LEU  69  -7.293  -6.621   0.149
  502   1HB   LEU  69          2HB       LEU  69  -7.774  -3.866   1.269
  503   2HB   LEU  69          1HB       LEU  69  -7.504  -4.157  -0.444
  504    HG   LEU  69           HG       LEU  69  -9.733  -5.400   1.160
  505   1HD1  LEU  69          1HD1      LEU  69  -9.674  -2.965  -0.604
  506   2HD1  LEU  69          2HD1      LEU  69 -10.191  -3.078   1.078
  507   3HD1  LEU  69          3HD1      LEU  69 -11.159  -3.823  -0.194
  508   1HD2  LEU  69          1HD2      LEU  69  -8.605  -6.175  -1.232
  509   2HD2  LEU  69          2HD2      LEU  69 -10.012  -5.229  -1.724
  510   3HD2  LEU  69          3HD2      LEU  69 -10.210  -6.613  -0.646
  511    H    LYS  70           H        LYS  70  -5.636  -4.206   2.153
  512    HA   LYS  70           HA       LYS  70  -3.537  -3.626   0.489
  513   1HB   LYS  70          2HB       LYS  70  -2.820  -2.396   2.226
  514   2HB   LYS  70          1HB       LYS  70  -4.314  -2.887   2.989
  515   1HG   LYS  70          2HG       LYS  70  -2.809  -4.929   3.766
  516   2HG   LYS  70          1HG       LYS  70  -1.537  -3.728   3.545
  517   1HD   LYS  70          2HD       LYS  70  -3.942  -2.829   5.001
  518   2HD   LYS  70          1HD       LYS  70  -2.927  -4.012   5.827
  519   1HE   LYS  70          2HE       LYS  70  -1.101  -2.593   5.896
  520   2HE   LYS  70          1HE       LYS  70  -1.684  -1.615   4.550
  521   1HZ   LYS  70          1HZ       LYS  70  -2.240  -0.216   6.202
  522   2HZ   LYS  70          2HZ       LYS  70  -2.304  -1.429   7.379
  523   3HZ   LYS  70          3HZ       LYS  70  -3.611  -1.198   6.331
  524    H    LYS  71           H        LYS  71  -4.031  -6.466   2.426
  525    HA   LYS  71           HA       LYS  71  -1.347  -7.380   2.183
  526   1HB   LYS  71          2HB       LYS  71  -2.225  -9.538   3.043
  527   2HB   LYS  71          1HB       LYS  71  -2.649  -8.168   4.062
  528   1HG   LYS  71          2HG       LYS  71  -4.869  -8.117   3.148
  529   2HG   LYS  71          1HG       LYS  71  -4.463  -9.395   2.004
  530   1HD   LYS  71          2HD       LYS  71  -5.625 -10.469   3.752
  531   2HD   LYS  71          1HD       LYS  71  -3.920 -10.831   4.030
  532   1HE   LYS  71          2HE       LYS  71  -3.794  -9.483   5.879
  533   2HE   LYS  71          1HE       LYS  71  -5.090  -8.422   5.328
  534   1HZ   LYS  71          1HZ       LYS  71  -6.243  -9.528   6.893
  535   2HZ   LYS  71          2HZ       LYS  71  -5.235 -10.886   6.858
  536   3HZ   LYS  71          3HZ       LYS  71  -6.429 -10.689   5.677
  537    H    LYS  72           H        LYS  72  -4.235  -7.649   0.343
  538    HA   LYS  72           HA       LYS  72  -3.460  -9.782  -1.289
  539   1HB   LYS  72          2HB       LYS  72  -5.618  -7.864  -1.201
  540   2HB   LYS  72          1HB       LYS  72  -5.078  -8.131  -2.853
  541   1HG   LYS  72          2HG       LYS  72  -6.216 -10.021  -2.931
  542   2HG   LYS  72          1HG       LYS  72  -5.273 -10.654  -1.581
  543   1HD   LYS  72          2HD       LYS  72  -7.699 -10.703  -1.144
  544   2HD   LYS  72          1HD       LYS  72  -6.826  -9.687   0.002
  545   1HE   LYS  72          2HE       LYS  72  -8.751  -8.466  -0.589
  546   2HE   LYS  72          1HE       LYS  72  -7.427  -7.729  -1.489
  547   1HZ   LYS  72          1HZ       LYS  72  -9.725  -9.219  -2.457
  548   2HZ   LYS  72          2HZ       LYS  72  -8.262  -9.536  -3.246
  549   3HZ   LYS  72          3HZ       LYS  72  -8.866  -7.957  -3.187
  550    H    ALA  73           H        ALA  73  -2.762  -6.442  -1.176
  551    HA   ALA  73           HA       ALA  73  -1.421  -6.440  -3.735
  552   1HB   ALA  73          1HB       ALA  73  -2.852  -4.546  -3.112
  553   2HB   ALA  73          2HB       ALA  73  -1.181  -4.053  -3.399
  554   3HB   ALA  73          3HB       ALA  73  -1.787  -4.211  -1.749
  555    H    SER  74           H        SER  74  -0.684  -7.270  -0.585
  556    HA   SER  74           HA       SER  74   1.290  -7.851   0.394
  557   1HB   SER  74          2HB       SER  74   2.813  -6.701  -1.940
  558   2HB   SER  74          1HB       SER  74   3.291  -8.001  -0.847
  559    HG   SER  74           HG       SER  74   2.088  -9.388  -1.941
  560    H    LEU  75           H        LEU  75   0.048  -5.002   0.107
  561    HA   LEU  75           HA       LEU  75   2.269  -3.303   0.795
  562   1HB   LEU  75          2HB       LEU  75  -0.698  -2.748   0.884
  563   2HB   LEU  75          1HB       LEU  75   0.576  -1.553   1.015
  564    HG   LEU  75           HG       LEU  75  -0.333  -3.075  -1.394
  565   1HD1  LEU  75          1HD1      LEU  75  -0.480  -0.933  -2.401
  566   2HD1  LEU  75          2HD1      LEU  75   0.390  -0.174  -1.066
  567   3HD1  LEU  75          3HD1      LEU  75  -1.236  -0.810  -0.812
  568   1HD2  LEU  75          1HD2      LEU  75   1.909  -3.507  -1.621
  569   2HD2  LEU  75          2HD2      LEU  75   2.396  -2.004  -0.838
  570   3HD2  LEU  75          3HD2      LEU  75   1.745  -1.972  -2.477
  571    H    PHE  76           H        PHE  76   0.033  -5.323   2.455
  572    HA   PHE  76           HA       PHE  76  -0.178  -4.083   4.926
  573   1HB   PHE  76          2HB       PHE  76  -1.207  -6.315   4.000
  574   2HB   PHE  76          1HB       PHE  76   0.191  -7.049   4.777
  575    HD1  PHE  76           1HD      PHE  76  -3.091  -6.678   5.254
  576    HD2  PHE  76           2HD      PHE  76   0.537  -5.674   7.239
  577    HE1  PHE  76           1HE      PHE  76  -4.277  -6.652   7.404
  578    HE2  PHE  76           2HE      PHE  76  -0.647  -5.644   9.394
  579    HZ   PHE  76           HZ       PHE  76  -3.060  -6.134   9.479