*HEADER    METAL BINDING PROTEIN, ONCOPROTEIN      04-JAN-06   2FK4              
*TITLE     SOLUTION STRUCTURE OF THE C-TERMINAL ZINC BINDING DOMAIN OF           
*TITLE    2 THE HPV16 E6 ONCOPROTEIN                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PROTEIN E6;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: C-TERMINAL DOMAIN;                                         
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HUMAN PAPILLOMAVIRUS TYPE 16;                   
*SOURCE   3 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   4 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   5 EXPRESSION_SYSTEM_STRAIN: BL21 DE2;                                  
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID                               
*KEYWDS    ZINC BINDING DOMAIN, ONCOPROTEIN                                      
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    Y.NOMINE, S.CHARBONNIER                                               
*REVDAT   1   24-JAN-06 2FK4    0                                                


! NOE between residues that do not display exchange contribution in 15N dispersion experiment
! For these distances the parameter SQOFFSET is set to -0.2
! Other parameters are :
!   averaging  * sum
!   potential  * square
!   sqconstant * 1.
!   sqexponent * 2
!   scale      * 50.     

assign (resid   2 and name   HA ) ( resid   3 and name    HN )  5.00  3.10  1.00 ! 3833_3D          
assign (resid   2 and name   HA ) ( resid   4 and name    HN )  5.00  3.10  1.00 ! 3931_3D
assign (resid   2 and name   HA ) ( resid   4 and name   HD# )  6.00  4.10  1.01 ! 3516_2D ! no amb.         
assign (resid   3 and name   HA ) ( resid   4 and name    HN )  5.00  3.10  1.00 ! 3574_3D          
assign (resid   3 and name   HA ) ( resid   4 and name   HD# )  5.00  3.10  1.01 ! 3515_2D          
assign (resid   3 and name  HB# ) ( resid   4 and name    HN )  5.00  3.10  2.00 ! 3831_3D          
assign (resid   3 and name  HB# ) ( resid   4 and name   HD# )  5.00  3.10  1.61 ! 3806_2D  BK ADD 0.5        
assign (resid   3 and name  HB# ) ( resid   4 and name   HE# )  5.00  3.10  1.61 ! 3807_2D  BK ADD 0.5       
assign (resid   3 and name  HB# ) ( resid  51 and name  HD1# )  4.45  2.60  1.01 ! 3758_2D          
assign (resid   3 and name  HB# ) ( resid  51 and name  HG11 )  5.00  3.10  0.99 ! 3855_2D          
assign (resid   4 and name   HA ) ( resid   5 and name    HN )  2.50  0.60  1.00 ! 5    ! beta1
assign (resid   4 and name  HB1 ) ( resid   5 and name    HN )  5.00  3.10  1.00 ! 3576_3D          
assign (resid   4 and name  HB2 ) ( resid   5 and name    HN )  5.00  3.10  1.00 ! 3575_3D          
assign (resid   4 and name  HD# ) ( resid   5 and name    HN )  5.00  3.10  1.01 ! 3579_3D          
assign (resid   4 and name  HE# ) ( resid   5 and name    HN )  5.00  3.10  1.01 ! 3580_3D          
assign (resid   4 and name  HD# ) ( resid  50 and name    HN )  5.00  3.10  1.01 ! 3863_2D          
assign (resid   4 and name  HB1 ) ( resid  50 and name    HN )  5.00  3.10  1.00 ! 3872_3D          
assign (resid   4 and name  HB2 ) ( resid  50 and name    HN )  5.00  3.10  1.00 ! 3592_3D          
assign (resid   5 and name   HA ) ( resid   6 and name    HN )  2.50  0.60  1.00 ! 2291_3D ! beta1 
assign (resid   5 and name   HN ) ( resid   6 and name    HN )  4.50  2.60  1.00 ! 3581_3D ! beta1
assign (resid   5 and name  HB1 ) ( resid   6 and name    HN )  5.00  3.10  1.00 ! 2292_3D          
assign (resid   5 and name  HB2 ) ( resid   6 and name    HN )  5.00  3.10  1.00 ! 2293_3D          
assign (resid   5 and name   HA ) ( resid  49 and name   HB# )  5.00  3.10  0.99 ! 3921_2D          
assign (resid   5 and name   HA ) ( resid  55 and name   HE3 )  5.00  3.10  0.99 ! 3799_2D          
assign (resid   5 and name   HA ) ( resid  55 and name   HH2 )  5.00  3.10  1.00 ! 3804_2D          
assign (resid   5 and name   HA ) ( resid  55 and name   HZ2 )  5.00  3.10  1.00 ! 3800_2D          
assign (resid   5 and name   HA ) ( resid  55 and name   HZ3 )  5.00  3.10  1.00 ! 3798_2D          
assign (resid   5 and name  HB1 ) ( resid  55 and name   HZ2 )  5.00  3.10  1.00 ! 3803_2D          
assign (resid   5 and name  HB2 ) ( resid  55 and name   HZ2 )  5.00  3.10  1.00 ! 3802_2D          
assign (resid   6 and name   HA ) ( resid   4 and name   HE# )  5.00  3.10  1.01 ! 3511_2D          
assign (resid   6 and name  HB2 ) ( resid   4 and name   HD# )  5.00  3.10  1.01 ! 3614_2D          
assign (resid   6 and name  HB2 ) ( resid   4 and name   HE# )  5.00  3.10  1.01 ! 3613_2D          
assign (resid   6 and name HD1# ) ( resid   4 and name   HD# )  5.00  3.10  1.11 ! 3578_2D          
assign (resid   6 and name HD1# ) ( resid   4 and name   HE# )  5.00  3.10  1.11 ! 3579_2D          
assign (resid   6 and name HD2# ) ( resid   4 and name   HD# )  4.45  2.60  1.75 ! 3576_2D ! calib.
assign (resid   6 and name HD2# ) ( resid   4 and name   HE# )  3.70  1.80  1.21 ! 3577_2D     
assign (resid   6 and name HD## ) ( resid  14 and name    HN )  5.00  3.10  0.99 ! 2337_3D          
assign (resid   6 and name HD## ) ( resid  15 and name   HD# )  5.00  3.10  1.11 ! 3619_2D          
assign (resid   6 and name HD## ) ( resid  15 and name   HE# )  5.00  3.10  1.11 ! 3618_2D          
assign (resid   6 and name HD## ) ( resid  49 and name    HN )  5.00  3.10  0.99 ! 3857_3D          
assign (resid   6 and name   HG ) ( resid  55 and name   HZ2 )  5.00  3.10  1.00 ! 3805_2D          
assign (resid   6 and name   HG ) ( resid  55 and name   HZ3 )  5.00  3.10  1.00 ! 3761_2D          
assign (resid   6 and name  HB2 ) ( resid  55 and name   HZ2 )  5.00  3.10  1.00 ! 3955_2D          
assign (resid   6 and name  HB2 ) ( resid  55 and name   HZ3 )  5.00  3.10  1.00 ! 3989_2D          
assign (resid   6 and name HD2# ) ( resid  55 and name   HE1 )  6.00  4.10  1.01 ! 3601_3D          
assign (resid   6 and name HD2# ) ( resid  55 and name   HZ2 )  4.05  2.10  1.50 ! 3610_2D ! calib.
assign (resid   6 and name HD2# ) ( resid  55 and name   HZ3 )  5.00  3.10  0.99 ! 3624_2D
assign (resid  14 and name   HA ) ( resid  15 and name    HN )  3.50  1.60  1.00 ! 1784_3D ! alpha1       
assign (resid  14 and name   HN ) ( resid  15 and name    HN )  3.00  1.10  1.00 ! 3616_3D ! alpha1       
assign (resid  14 and name   HN ) ( resid  15 and name   HD# )  5.00  3.10  1.01 ! 3792_2D          
assign (resid  14 and name   HN ) ( resid  15 and name   HE# )  5.00  3.10  1.01 ! 3791_2D          
assign (resid  14 and name  HB# ) ( resid  15 and name   HE# )  5.00  3.10  1.11 ! 3574_2D          
assign (resid  14 and name  HB1 ) ( resid  15 and name    HN )  5.00  3.10  1.00 ! 3623_3D          
assign (resid  14 and name  HB2 ) ( resid  15 and name    HN )  5.00  3.10  1.00 ! 2743_3D          
assign (resid  14 and name  HG1 ) ( resid  15 and name    HN )  5.00  3.10  1.00 ! 2741_3D          
assign (resid  14 and name  HG1 ) ( resid  15 and name   HD# )  5.00  3.10  1.01 ! 3571_2D          
assign (resid  14 and name  HG1 ) ( resid  15 and name   HE# )  5.00  3.10  1.01 ! 3572_2D          
assign (resid  14 and name  HG2 ) ( resid  15 and name    HN )  5.00  3.10  1.00 ! 2742_3D          
assign (resid  14 and name  HG2 ) ( resid  15 and name   HD# )  5.00  3.10  1.01 ! 3575_2D          
assign (resid  14 and name  HG2 ) ( resid  15 and name   HE# )  5.00  3.10  1.01 ! 3573_2D          
assign (resid  14 and name  HB1 ) ( resid  16 and name    HN )  5.00  3.10  1.00 ! 3919_3D          
assign (resid  14 and name  HG1 ) ( resid  16 and name    HN )  5.00  3.10  1.00 ! 2329_3D          
assign (resid  14 and name  HG2 ) ( resid  16 and name    HN )  5.00  3.10  1.00 ! 2330_3D          
assign (resid  15 and name  HB# ) ( resid   6 and name  HD1# )  5.00  3.10  0.99 ! 3977_2D          
assign (resid  15 and name  HB# ) ( resid   6 and name  HD2# )  5.00  3.10  0.99 ! 3978_2D          
assign (resid  15 and name  HD# ) ( resid  14 and name    HN )  5.00  3.10  1.01 ! 3614_3D          
assign (resid  15 and name   HA ) ( resid  16 and name    HN )  3.50  1.80  0.80 ! 2488_3D ! alpha1
assign (resid  15 and name  HB1 ) ( resid  16 and name    HN )  5.00  3.10  1.00 ! 2490_3D          
assign (resid  15 and name  HB2 ) ( resid  16 and name    HN )  5.00  3.10  1.00 ! 2489_3D          
assign (resid  15 and name  HD# ) ( resid  16 and name    HN )  5.00  3.10  1.01 ! 3620_3D
assign (resid  13 and name   HA ) ( resid  15 and name    HN )  4.50  2.60  1.00 ! 3972_3D ! alpha1
assign (resid  13 and name   HA ) ( resid  16 and name    HN )  3.50  1.60  1.00 ! 3973_3D ! alpha1       
assign (resid  14 and name   HN ) ( resid  12 and name    HN )  4.20  2.30  1.00 ! 3855_3D ! alpha1
assign (resid  14 and name   HN ) ( resid  13 and name    HN )  3.00  1.10  1.00 ! 3630_3D ! alpha1
assign (resid  12 and name   HA ) ( resid  15 and name    HN )  5.00  3.10  1.00 !     ! alpha1
assign (resid  13 and name   HN ) ( resid  12 and name    HN )  3.00  1.10  1.00 ! 3854_3D ! alpha1
assign (resid  17 and name   HN ) ( resid  15 and name    HN )  4.20  2.30  1.00 ! 3933_2D ! alpha1
assign (resid  17 and name   HN ) ( resid  16 and name    HN )  3.00  1.10  1.00 ! 3617_3D ! alpha1
assign (resid  13 and name   HA ) ( resid  14 and name    HN )  3.50  1.60  0.80 ! 2334_3D ! alpha1               
assign (resid  15 and name   HA ) ( resid  22 and name  HD1# )  5.00  3.10  0.99 ! 3680_2D          
assign (resid  15 and name   HA ) ( resid  22 and name  HD2# )  5.00  3.10  0.99 ! 3679_2D          
assign (resid  15 and name  HB1 ) ( resid  22 and name  HD1# )  4.45  2.60  1.50 ! 3676_2D ! calib.
assign (resid  15 and name  HB1 ) ( resid  22 and name  HD2# )  4.45  2.60  1.50 ! 3677_2D ! calib.
assign (resid  15 and name  HB2 ) ( resid  22 and name  HD1# )  4.45  2.60  1.50 ! 3675_2D ! calib.
assign (resid  15 and name  HB2 ) ( resid  22 and name  HD2# )  4.45  2.60  1.50 ! 3678_2D ! calib.
assign (resid  15 and name  HE# ) ( resid  55 and name   HE1 )  4.05  2.10  1.50 ! 4057_2D ! calib.
assign (resid  16 and name   HN ) ( resid  14 and name    HN )  4.50  2.60  1.00 ! 2331_3D ! alpha1   
assign (resid  16 and name   HN ) ( resid  15 and name    HN )  3.00  1.10  1.00 ! 3619_3D ! alpha1          
assign (resid  21 and name   HA ) ( resid  22 and name    HN )  3.70  1.80  0.80 ! 1850_3D          
assign (resid  21 and name   HN ) ( resid  22 and name    HN )  3.70  1.80  0.80 ! 3635_3D          
assign (resid  21 and name  HB1 ) ( resid  22 and name    HN )  5.00  3.10  1.00 ! 3542_2D          
assign (resid  21 and name  HB2 ) ( resid  22 and name    HN )  5.00  3.10  1.00 ! 1851_3D          
assign (resid  21 and name  HB# ) ( resid  24 and name    HN )  6.00  4.10  1.50 ! 3839_3D ! de-stereo (run 78)
assign (resid  22 and name HD1# ) ( resid  15 and name    HN )  5.00  3.10  0.99 ! 3633_3D          
assign (resid  22 and name HD1# ) ( resid  15 and name   HD# )  5.00  3.10  1.11 ! 3590_2D          
assign (resid  22 and name HD1# ) ( resid  15 and name   HE# )  5.00  3.10  1.11 ! 3591_2D          
assign (resid  22 and name HD2# ) ( resid  15 and name    HN )  5.00  3.10  0.99 ! 3634_3D          
assign (resid  22 and name HD2# ) ( resid  15 and name   HD# )  5.00  3.10  1.11 ! 3592_2D          
assign (resid  22 and name HD2# ) ( resid  15 and name   HE# )  5.00  3.10  1.11 ! 3593_2D          
assign (resid  22 and name   HA ) ( resid  21 and name    HN )  5.00  3.10  1.00 ! 3650_3D          
assign (resid  22 and name   HG ) ( resid  21 and name    HN )  5.00  3.10  1.00 ! 3647_3D          
assign (resid  22 and name HD1# ) ( resid  21 and name    HN )  5.00  3.10  0.99 ! 2443_3D          
assign (resid  22 and name HD2# ) ( resid  21 and name    HN )  5.00  3.10  0.99 ! 2444_3D          
assign (resid  22 and name   HG ) ( resid  24 and name  HD1# )  5.00  3.10  0.99 ! 3659_2D          
assign (resid  22 and name  HB1 ) ( resid  24 and name  HD1# )  5.00  3.10  0.99 ! 3658_2D          
assign (resid  22 and name HD1# ) ( resid  24 and name  HD1# )  5.00  3.10  1.01 ! 3656_2D          
assign (resid  22 and name HD2# ) ( resid  24 and name  HD1# )  5.00  3.10  1.01 ! 3657_2D          
assign (resid  22 and name HD1# ) ( resid  55 and name   HD1 )  6.00  4.10  1.01 ! 3585_2D          
assign (resid  22 and name HD1# ) ( resid  55 and name   HE1 )  6.00  4.10  1.01 ! 3631_3D          
assign (resid  22 and name HD1# ) ( resid  55 and name   HH2 )  6.00  4.10  0.99 ! 3598_2D          
assign (resid  22 and name HD2# ) ( resid  55 and name   HD1 )  6.00  4.10  1.01 ! 3586_2D          
assign (resid  22 and name HD2# ) ( resid  55 and name   HE1 )  6.00  4.10  1.01 ! 3632_3D          
assign (resid  24 and name HD1# ) ( resid  22 and name    HN )  5.00  3.10  0.99 ! 3864_3D          
assign (resid  24 and name HG12 ) ( resid  22 and name  HD1# )  5.00  3.10  1.01 ! 3684_2D ! ancien 6/22
assign (resid  24 and name HG12 ) ( resid  22 and name  HD2# )  5.00  3.10  1.01 ! 3685_2D ! ancien 6/22
assign (resid  24 and name HG11 ) ( resid  22 and name  HD## )  5.00  3.10  1.01 ! test   
assign (resid  24 and name   HA ) ( resid  25 and name    HN )  3.70  1.80  0.80 ! 2524_3D          
assign (resid  24 and name   HB ) ( resid  25 and name    HN )  5.00  3.10  1.00 ! 2525_3D          
assign (resid  24 and name HD1# ) ( resid  25 and name    HN )  5.00  3.10  0.99 ! 2528_3D          
assign (resid  24 and name HG11 ) ( resid  25 and name    HN )  5.00  3.10  1.00 ! 2527_3D          
assign (resid  24 and name HG2# ) ( resid  25 and name    HN )  5.00  3.10  0.99 ! 2526_3D          
assign (resid  24 and name HG2# ) ( resid  48 and name    HZ )  5.00  3.10  1.20 ! test        
assign (resid  24 and name HG2# ) ( resid  48 and name   HD# )  5.00  3.10  1.20 ! test   
assign (resid  24 and name HG2# ) ( resid  48 and name   HE# )  5.00  3.10  1.20 ! test
assign (resid  24 and name HD1# ) ( resid  48 and name    HZ )  5.00  3.10  0.99 ! 3600_2D          
assign (resid  24 and name HD1# ) ( resid  48 and name   HD# )  4.45  2.60  1.50 ! 3599_2D ! calib.
assign (resid  24 and name HD1# ) ( resid  55 and name    HN )  5.00  3.10  0.99 ! 2232_3D          
assign (resid  24 and name HD1# ) ( resid  55 and name   HD1 )  5.00  3.10  1.01 ! 3587_2D          
assign (resid  24 and name HD1# ) ( resid  55 and name   HE3 )  5.00  3.10  1.01 ! 3584_2D          
assign (resid  24 and name HD1# ) ( resid  55 and name   HZ3 )  5.00  3.10  0.99 ! 3583_2D          
assign (resid  24 and name HG11 ) ( resid  55 and name   HB1 )  5.00  3.10  1.00 ! 3643_2D          
assign (resid  24 and name HG11 ) ( resid  55 and name   HB2 )  5.00  3.10  1.00 ! 3639_2D          
assign (resid  24 and name HG11 ) ( resid  55 and name   HD1 )  5.00  3.10  0.99 ! 3607_2D          
assign (resid  24 and name HG12 ) ( resid  55 and name   HB1 )  5.00  3.10  1.00 ! 3642_2D          
assign (resid  24 and name HG12 ) ( resid  55 and name   HD1 )  5.00  3.10  0.99 ! 3609_2D          
assign (resid  24 and name HG2# ) ( resid  55 and name    HN )  5.00  3.10  0.99 ! 2233_3D          
assign (resid  24 and name HG2# ) ( resid  55 and name   HB1 )  5.00  3.10  0.99 ! 3644_2D          
assign (resid  24 and name HG2# ) ( resid  55 and name   HD1 )  5.00  3.10  1.01 ! 3608_2D          
assign (resid  24 and name HD1# ) ( resid  56 and name    HN )  5.00  3.10  0.99 ! 3782_3D          
assign (resid  25 and name   HN ) ( resid  24 and name    HN )  5.00  3.10  1.00 ! 3656_3D          
assign (resid  25 and name   HA ) ( resid  26 and name    HN )  3.50  1.60  1.00 ! 2237_3D          
assign (resid  25 and name   HA ) ( resid  26 and name   HB1 )  5.00  3.10  1.00 ! 3527_2D          
assign (resid  25 and name   HA ) ( resid  26 and name   HB2 )  5.00  3.10  1.00 ! 3526_2D          
assign (resid  25 and name  HB1 ) ( resid  26 and name    HN )  3.01  1.10  1.50 ! 2139_3D ! calib82
assign (resid  25 and name  HB2 ) ( resid  26 and name    HN )  3.01  1.10  1.50 ! 2138_3D ! calib82
assign (resid  25 and name  HG1 ) ( resid  26 and name    HN )  5.00  3.10  1.00 ! 2164_3D          
assign (resid  25 and name  HG2 ) ( resid  26 and name    HN )  3.70  1.80  0.98 ! 2140_3D     
assign (resid  25 and name  HB1 ) ( resid  28 and name    HN )  5.00  3.10  1.00 ! 4100_2D          
assign (resid  25 and name  HD1 ) ( resid  30 and name   HB1 )  5.00  3.10  1.00 ! 3536_2D          
assign (resid  25 and name  HD1 ) ( resid  30 and name   HB2 )  5.00  3.10  1.00 ! 3535_2D          
assign (resid  25 and name  HD1 ) ( resid  30 and name   HG1 )  5.00  3.10  1.00 ! 3534_2D          
assign (resid  25 and name  HD1 ) ( resid  30 and name   HG2 )  5.00  3.10  1.00 ! 3532_2D          
assign (resid  25 and name  HD2 ) ( resid  30 and name   HB1 )  5.00  3.10  1.00 ! 3539_2D          
assign (resid  25 and name  HD2 ) ( resid  30 and name   HB2 )  5.00  3.10  1.00 ! 3538_2D          
assign (resid  25 and name  HD2 ) ( resid  30 and name   HG1 )  5.00  3.10  1.00 ! 3537_2D          
assign (resid  25 and name  HD2 ) ( resid  30 and name   HG2 )  5.00  3.10  1.00 ! 3533_2D          
assign (resid  25 and name  HB# ) ( resid  30 and name    HN )  5.00  3.10  1.00 ! 4097_2D          
assign (resid  25 and name  HD1 ) ( resid  30 and name  HE21 )  5.00  3.10  1.00 ! 3958_3D          
assign (resid  25 and name  HD2 ) ( resid  30 and name  HE21 )  5.00  3.10  1.00 ! 3957_3D          
assign (resid  25 and name  HG# ) ( resid  30 and name    HN )  5.00  3.10  1.00 ! 4098_2D ! de-stereo          
assign (resid  25 and name  HG# ) ( resid  30 and name  HE21 )  5.00  3.10  1.00 ! 3959_3D ! de-stereo
assign (resid  25 and name  HG# ) ( resid  30 and name  HE22 )  5.00  3.10  1.00 ! 3960_3D ! de-stereo
assign (resid  25 and name   HA ) ( resid  32 and name   HB# )  6.00  4.10  1.00 ! 4211_2D ! mvt <- run 78          
assign (resid  25 and name   HA ) ( resid  32 and name   HG# )  6.00  4.10  1.00 ! 4212_2D ! mvt <- run 78
assign (resid  25 and name   HA ) ( resid  33 and name  HD2# )  5.00  3.10  0.99 ! 4213_2D          
assign (resid  25 and name   HA ) ( resid  33 and name    HN )  5.00  3.10  1.11 ! 2137_3D          
assign (resid  25 and name  HG1 ) ( resid  33 and name    HN )  5.00  3.10  1.00 ! 3946_3D          
assign (resid  25 and name  HG2 ) ( resid  33 and name    HN )  5.00  3.10  1.00 ! 3945_3D          
assign (resid  26 and name   HN ) ( resid  25 and name    HN )  5.00  3.10  1.00 ! 3788_3D          
assign (resid  26 and name  HB2 ) ( resid  25 and name   HG2 )  5.00  3.10  1.00 ! 3767_2D          
assign (resid  26 and name   HA ) ( resid  28 and name    HN )  5.00  3.10  1.00 ! 2189_3D          
assign (resid  26 and name   HA ) ( resid  28 and name  HD21 )  5.00  3.10  1.00 ! 3898_2D          
assign (resid  26 and name  HB1 ) ( resid  28 and name    HN )  5.01  3.10  1.50 ! 2187_3D ! calib82
assign (resid  26 and name  HB1 ) ( resid  28 and name  HD21 )  5.00  3.10  1.00 ! 3899_2D          
assign (resid  26 and name  HB2 ) ( resid  28 and name    HN )  5.01  3.10  1.50 ! 2188_3D ! calib82
assign (resid  26 and name   HN ) ( resid  29 and name    HN )  5.00  3.10  1.00 ! 3567_3D          
assign (resid  26 and name  HB2 ) ( resid  29 and name   HB2 )  5.00  3.10  1.00 ! 3524_2D          
assign (resid  26 and name   HN ) ( resid  30 and name    HN )  4.45  2.60  1.50 ! 3553_3D ! calib.
assign (resid  26 and name  HB1 ) ( resid  30 and name    HN )  3.70  1.80  0.80 ! 2056_3D          
assign (resid  26 and name  HB2 ) ( resid  30 and name    HN )  3.70  1.80  0.80 ! 2057_3D          
assign (resid  26 and name  HB2 ) ( resid  30 and name   HB2 )  5.00  3.10  1.00 ! 3901_2D          
assign (resid  26 and name  HB2 ) ( resid  30 and name   HG1 )  5.00  3.10  1.00 ! 3531_2D          
assign (resid  26 and name  HB2 ) ( resid  30 and name   HG2 )  5.00  3.10  1.00 ! 3530_2D          
assign (resid  26 and name   HN ) ( resid  31 and name    HN )  5.00  3.10  1.00 ! 3544_3D          
assign (resid  26 and name  HB1 ) ( resid  31 and name    HN )  4.41  2.60  1.50 ! 2054_3D ! calib82
assign (resid  26 and name  HB2 ) ( resid  31 and name    HN )  4.45  2.60  1.00 ! 2055_3D          
assign (resid  26 and name   HN ) ( resid  33 and name    HN )  5.00  3.10  1.00 ! 3830_3D          
assign (resid  26 and name   HA ) ( resid  33 and name  HD1# )  4.45  2.60  2.00 ! 4157_2D ! ancien 12/19 ! calib.
assign (resid  26 and name   HA ) ( resid  33 and name  HD2# )  4.45  2.60  2.00 ! 3712_2D ! ancien 12/19 ! calib.
assign (resid  26 and name  HB1 ) ( resid  33 and name  HD1# )  4.45  2.60  1.50 ! 3713_2D ! calib.
assign (resid  26 and name  HB1 ) ( resid  33 and name  HD2# )  4.45  2.60  1.50 ! 3715_2D ! calib.
assign (resid  26 and name  HB2 ) ( resid  33 and name  HD1# )  4.45  2.60  1.50 ! 3709_2D ! calib.
assign (resid  26 and name  HB2 ) ( resid  33 and name  HD2# )  4.45  2.60  1.50 ! 3710_2D ! calib.
assign (resid  26 and name  HB# ) ( resid  60 and name    HN )  6.00  4.10  1.00 ! 3924_3D          
assign (resid  28 and name   HA ) ( resid  29 and name    HN )  3.70  1.80  1.00 ! 2474_3D          
assign (resid  28 and name   HN ) ( resid  29 and name    HN )  3.01  1.10  1.50 ! 3548_3D ! calib82
assign (resid  28 and name  HB1 ) ( resid  29 and name    HN )  3.01  1.10  1.50 ! 2476_3D ! calib82
assign (resid  28 and name  HB1 ) ( resid  29 and name   HB# )  5.00  3.10  1.00 ! 3541_2D          
assign (resid  28 and name  HB2 ) ( resid  29 and name    HN )  3.01  1.10  1.50 ! 2475_3D ! calib82
assign (resid  28 and name  HB2 ) ( resid  29 and name   HB# )  5.00  3.10  1.00 ! 3529_2D          
assign (resid  28 and name  HB1 ) ( resid  30 and name  HE22 )  5.00  3.10  1.00 ! 3787_3D          
assign (resid  28 and name  HB2 ) ( resid  62 and name   HB2 )  5.00  3.10  1.00 ! 3523_2D          
assign (resid  28 and name HD21 ) ( resid  62 and name    HN )  5.00  3.10  1.00 ! 3923_3D          
assign (resid  28 and name HD22 ) ( resid  62 and name    HN )  5.00  3.10  1.00 ! 3929_3D          
assign (resid  29 and name   HA ) ( resid  26 and name   HB1 )  5.00  3.10  1.00 ! 3900_2D          
assign (resid  29 and name  HB2 ) ( resid  26 and name   HB1 )  5.00  3.10  1.00 ! 3540_2D          
assign (resid  29 and name   HN ) ( resid  28 and name  HD21 )  5.00  3.10  1.00 ! 2196_3D          
assign (resid  29 and name   HN ) ( resid  28 and name  HD22 )  5.00  3.10  1.00 ! 3893_3D          
assign (resid  29 and name  HB1 ) ( resid  28 and name    HN )  5.00  3.10  1.00 ! 3892_3D          
assign (resid  29 and name  HB1 ) ( resid  28 and name  HD21 )  5.00  3.10  1.00 ! 3681_3D          
assign (resid  29 and name  HB1 ) ( resid  28 and name  HD22 )  5.00  3.10  1.00 ! 3684_3D          
assign (resid  29 and name  HB1 ) ( resid  28 and name  HD22 )  5.00  3.10  1.00 ! 3762_2D          
assign (resid  29 and name  HB2 ) ( resid  28 and name    HN )  5.00  3.10  1.00 ! 3891_3D          
assign (resid  29 and name  HB2 ) ( resid  28 and name  HD21 )  5.00  3.10  1.00 ! 3679_3D          
assign (resid  29 and name  HB2 ) ( resid  28 and name  HD22 )  5.00  3.10  1.00 ! 3570_2D          
assign (resid  29 and name  HB2 ) ( resid  28 and name  HD22 )  5.00  3.10  1.00 ! 3682_3D          
assign (resid  29 and name   HA ) ( resid  30 and name    HN )  3.70  1.80  0.80 ! 1783_3D          
assign (resid  29 and name   HA ) ( resid  30 and name  HE21 )  4.70  2.80  0.80 ! 3905_2D          
assign (resid  29 and name   HA ) ( resid  30 and name  HE22 )  4.70  2.80  0.80 ! 3906_2D          
assign (resid  29 and name   HN ) ( resid  30 and name  HE21 )  5.00  3.10  1.00 ! 3894_3D          
assign (resid  29 and name  HB1 ) ( resid  30 and name    HN )  3.70  1.80  0.98 ! 3023_3D     
assign (resid  29 and name  HB2 ) ( resid  30 and name    HN )  4.45  2.60  1.00 ! 2243_3D          
assign (resid  29 and name   HN ) ( resid  31 and name    HN )  5.00  3.10  1.00 ! 3556_3D          
assign (resid  29 and name  HB1 ) ( resid  31 and name    HN )  5.00  3.10  1.00 ! 3022_3D          
assign (resid  29 and name  HB2 ) ( resid  31 and name    HN )  5.00  3.10  1.00 ! 2312_3D          
assign (resid  30 and name   HA ) ( resid  26 and name    HN )  5.00  3.10  1.00 ! 3551_2D          
assign (resid  30 and name   HA ) ( resid  26 and name   HB1 )  4.44  2.50  1.58 ! 3779_2D ! mean    
assign (resid  30 and name   HA ) ( resid  26 and name   HB2 )  4.44  2.50  1.58 ! 3521_2D ! mean   
assign (resid  30 and name  HB1 ) ( resid  26 and name    HN )  5.00  3.10  1.00 ! 3553_2D          
assign (resid  30 and name  HG1 ) ( resid  26 and name    HN )  5.00  3.10  1.00 ! 3552_2D          
assign (resid  30 and name   HN ) ( resid  28 and name    HN )  4.45  2.60  1.50 ! 3549_3D ! calib.
assign (resid  30 and name   HN ) ( resid  29 and name    HN )  3.70  1.80  0.80 ! 3550_3D          
assign (resid  30 and name   HA ) ( resid  31 and name    HN )  5.00  3.10  1.00 ! 1782_3D          
assign (resid  30 and name   HN ) ( resid  31 and name    HN )  5.00  3.10  1.00 ! 2310_3D          
assign (resid  30 and name HE21 ) ( resid  31 and name    HN )  5.00  3.10  1.00 ! 3550_2D          
assign (resid  30 and name HE22 ) ( resid  31 and name    HN )  5.00  3.10  1.00 ! 3549_2D          
assign (resid  31 and name   HA ) ( resid  26 and name    HN )  4.01  2.10  2.00 ! 3554_2D ! calib82
assign (resid  31 and name   HA ) ( resid  30 and name   HB1 )  5.00  3.10  1.00 ! 3908_2D          
assign (resid  31 and name   HA ) ( resid  32 and name   HB2 )  5.00  3.10  1.00 ! 3648_2D          
assign (resid  31 and name   HA ) ( resid  32 and name   HG1 )  4.05  2.10  1.50 ! 3650_2D ! calib.
assign (resid  31 and name   HA ) ( resid  32 and name   HG2 )  4.05  2.10  1.50 ! 3649_2D ! calib.
assign (resid  31 and name   HA ) ( resid  32 and name   HD1 )  3.70  1.80  1.00 ! 4115_2D          
assign (resid  32 and name   HA ) ( resid  25 and name   HG# )  6.00  4.10  1.00 ! 4060_2D ! mvt <- run 78  
assign (resid  32 and name   HA ) ( resid  25 and name   HB# )  6.00  4.10  1.00 ! 4061_2D ! mvt <- run 78
assign (resid  32 and name  HB# ) ( resid  25 and name   HG# )  4.50  2.60  1.01 ! 3652_2D ! mvt <- run 78
assign (resid  32 and name  HD1 ) ( resid  25 and name   HG# )  6.00  4.10  1.00 ! 3646_2D ! mvt <- run 78
assign (resid  32 and name  HD2 ) ( resid  25 and name   HG# )  6.00  4.10  1.00 ! 3645_2D ! mvt <- run 78
assign (resid  32 and name  HG2 ) ( resid  25 and name   HG# )  4.70  2.80  0.98 ! 3653_2D ! mvt <- run 78
assign (resid  32 and name   HA ) ( resid  26 and name    HN )  5.00  3.10  1.50 ! 2977_3D          
assign (resid  32 and name  HD1 ) ( resid  31 and name    HN )  5.00  3.10  1.00 ! 2015_3D          
assign (resid  32 and name  HD2 ) ( resid  31 and name    HN )  5.00  3.10  1.00 ! 2946_3D          
assign (resid  32 and name   HA ) ( resid  33 and name    HN )  3.70  1.80  0.80 ! 2018_3D          
assign (resid  32 and name  HB2 ) ( resid  33 and name    HN )  5.00  3.10  1.00 ! 2013_3D          
assign (resid  32 and name  HG1 ) ( resid  33 and name    HN )  5.00  3.10  1.00 ! 2011_3D          
assign (resid  32 and name  HG2 ) ( resid  33 and name    HN )  5.00  3.10  1.00 ! 2943_3D          
assign (resid  33 and name   HG ) ( resid  26 and name    HN )  5.00  3.10  1.00 ! 4034_2D          
assign (resid  33 and name HD1# ) ( resid  26 and name    HN )  3.70  1.80  1.98 ! 3364_3D ! calib.
assign (resid  33 and name HD2# ) ( resid  26 and name    HN )  3.70  1.80  1.98 ! 2144_3D ! calib.
assign (resid  33 and name HD1# ) ( resid  28 and name    HN )  5.00  3.10  0.99 ! 3949_3D          
assign (resid  33 and name HD1# ) ( resid  29 and name    HN )  5.00  3.10  0.99 ! 3783_3D          
assign (resid  33 and name HD1# ) ( resid  30 and name    HN )  5.00  3.10  0.99 ! 3665_3D          
assign (resid  33 and name HD1# ) ( resid  31 and name    HN )  5.00  3.10  0.99 ! 3666_3D          
assign (resid  33 and name   HA ) ( resid  34 and name    HG )  5.00  3.10  1.00 ! 3833_2D          
assign (resid  33 and name   HA ) ( resid  34 and name   HB# )  5.00  3.10  1.00 ! 4217_2D         
assign (resid  33 and name   HA ) ( resid  34 and name    HN )  2.50  0.60  0.50 !  970_3D          
assign (resid  33 and name   HG ) ( resid  34 and name    HN )  3.70  1.80  0.80 ! 2020_3D          
assign (resid  33 and name  HB1 ) ( resid  34 and name    HN )  5.00  3.10  1.00 !  971_3D          
assign (resid  33 and name  HB2 ) ( resid  34 and name    HN )  4.05  2.10  1.50 ! 3948_3D ! calib.
assign (resid  33 and name HD1# ) ( resid  34 and name    HN )  5.00  3.10  0.99 ! 3659_3D          
assign (resid  33 and name HD2# ) ( resid  34 and name    HN )  3.70  1.80  1.11 ! 2019_3D     
assign (resid  33 and name   HA ) ( resid  35 and name   HB# )  6.00  4.10  1.00 ! 4135_2D          
assign (resid  33 and name   HA ) ( resid  35 and name   HB# )  6.00  4.10  1.00 ! 3839_2D          
assign (resid  33 and name   HA ) ( resid  35 and name   HG# )  6.00  4.10  1.00 ! 4133_2D          
assign (resid  33 and name   HA ) ( resid  35 and name   HG# )  6.00  4.10  1.00 ! 4131_2D          
assign (resid  33 and name   HA ) ( resid  36 and name    HN )  5.00  3.10  1.00 ! 2175_3D          
assign (resid  33 and name   HA ) ( resid  37 and name    HN )  5.00  3.10  1.00 ! 2446_3D          
assign (resid  33 and name   HA ) ( resid  37 and name   HB# )  5.00  3.10  0.99 ! 3763_2D          
assign (resid  33 and name   HG ) ( resid  37 and name    HN )  4.45  3.10  1.00 ! 3704_3D          
assign (resid  33 and name  HB1 ) ( resid  37 and name    HN )  5.00  3.10  1.00 ! 3703_3D          
assign (resid  33 and name HD1# ) ( resid  37 and name    HN )  5.00  3.10  0.99 ! 3701_3D          
assign (resid  33 and name HD2# ) ( resid  37 and name    HN )  5.00  3.10  0.99 ! 3702_3D          
assign (resid  33 and name   HA ) ( resid  38 and name    HN )  5.00  3.10  1.00 ! 3715_3D          
assign (resid  33 and name  HB# ) ( resid  38 and name    HN )  4.05  2.10  1.75 ! 3944_3D ! calib.
assign (resid  33 and name HD1# ) ( resid  38 and name    HN )  5.00  3.10  0.99 ! 3699_3D          
assign (resid  33 and name HD2# ) ( resid  38 and name    HN )  5.00  3.10  0.99 ! 3700_3D          
assign (resid  33 and name HD1# ) ( resid  48 and name    HZ )  5.00  3.10  0.99 ! test
assign (resid  33 and name HD## ) ( resid  56 and name    HN )  5.00  3.10  1.00 ! 3669_3D ! suite OR run 79
assign (resid  33 and name HD1# ) ( resid  60 and name    HN )  5.00  3.10  0.99 ! 3898_3D          
assign (resid  33 and name HD## ) ( resid  61 and name    HN )  6.00  4.10  2.00 ! 3661_3D          
assign (resid  34 and name   HN ) ( resid  33 and name    HN )  5.00  3.10  1.00 ! 3566_3D          
assign (resid  34 and name   HA ) ( resid  35 and name   HB1 )  5.00  3.10  1.00 ! 4136_2D          
assign (resid  34 and name   HA ) ( resid  35 and name   HB2 )  5.00  3.10  1.00 ! 3840_2D          
assign (resid  34 and name   HA ) ( resid  35 and name   HD1 )  5.00  3.10  1.00 ! 4140_2D          
assign (resid  34 and name   HA ) ( resid  35 and name   HG1 )  4.05  2.10  1.75 ! 4134_2D ! calib.
assign (resid  34 and name   HA ) ( resid  35 and name   HG2 )  4.05  2.10  1.75 ! 4132_2D ! calib.
assign (resid  34 and name   HG ) ( resid  35 and name   HB1 )  6.00  4.10  1.00 ! 4155_2D ! HG34
assign (resid  34 and name   HG ) ( resid  35 and name   HG1 )  6.00  4.10  1.00 ! 3861_2D ! HG34
assign (resid  34 and name   HA ) ( resid  36 and name    HN )  4.41  2.60  1.50 ! 1574_3D ! calib82
assign (resid  34 and name   HG ) ( resid  36 and name    HN )  6.00  4.10  1.00 ! 3838_2D ! HG34
assign (resid  34 and name   HG ) ( resid  36 and name   HB1 )  6.00  4.10  1.00 ! 3860_2D ! HG34
assign (resid  34 and name   HG ) ( resid  36 and name   HG1 )  6.00  4.10  1.00 ! 3862_2D ! HG34
assign (resid  34 and name   HA ) ( resid  37 and name    HN )  5.00  3.10  1.00 ! 2447_3D          
assign (resid  34 and name   HA ) ( resid  37 and name   HB# )  5.00  3.10  0.99 ! 3843_2D          
assign (resid  34 and name   HG ) ( resid  37 and name    HN )  6.00  4.10  1.00 ! 3836_2D ! HG34
assign (resid  34 and name   HG ) ( resid  37 and name   HG# )  6.00  4.10  0.99 ! 3841_2D ! HG34
assign (resid  35 and name  HB1 ) ( resid  34 and name    HN )  5.00  3.10  1.50 ! 4156_2D ! 34/35 + 0.5 ang BK        
assign (resid  35 and name  HD2 ) ( resid  34 and name    HG )  5.00  3.10  1.50 ! 4144_2D          
assign (resid  35 and name  HD2 ) ( resid  34 and name    HN )  5.00  3.10  1.50 ! 4145_2D          
assign (resid  35 and name  HG1 ) ( resid  34 and name    HN )  5.00  3.10  1.50 ! 4153_2D          
assign (resid  35 and name  HB1 ) ( resid  36 and name    HN )  3.70  1.80  0.98 ! 2101_3D     
assign (resid  35 and name  HB2 ) ( resid  36 and name    HN )  5.00  3.10  1.00 ! 2099_3D          
assign (resid  35 and name  HG# ) ( resid  36 and name    HN )  3.70  1.80  1.80 ! 2102_3D          
assign (resid  35 and name  HB1 ) ( resid  42 and name   HD# )  4.50  3.60  1.00 ! 4150_2D ! ancien 12/42
assign (resid  35 and name  HB2 ) ( resid  42 and name   HD# )  4.50  3.60  1.00 ! 4151_2D ! ancien 12/42
assign (resid  35 and name  HG# ) ( resid  42 and name   HD# )  5.00  4.10  1.00 ! 4152_2D ! ancien 12/42
assign (resid  36 and name   HA ) ( resid  37 and name    HN )  3.70  1.80  0.80 ! 3694_3D          
assign (resid  36 and name  HB1 ) ( resid  37 and name    HN )  3.70  1.80  0.80 ! 3698_3D          
assign (resid  36 and name  HB2 ) ( resid  37 and name    HN )  3.70  1.80  0.80 ! 3697_3D          
assign (resid  36 and name  HG1 ) ( resid  37 and name    HN )  5.00  3.10  1.00 ! 3696_3D          
assign (resid  36 and name  HG2 ) ( resid  37 and name    HN )  3.70  1.80  0.98 ! 3695_3D     
assign (resid  36 and name   HN ) ( resid  38 and name    HN )  4.20  2.30  1.00 ! 3234_3D ! alpha 
assign (resid  36 and name   HA ) ( resid  39 and name    HN )  3.50  2.60  1.00 ! 3938_2D ! alpha
assign (resid  36 and name   HN ) ( resid  40 and name    HN )  5.00  3.10  1.00 ! 3235_3D          
assign (resid  37 and name   HN ) ( resid  34 and name    HN )  5.00  3.10  1.00 ! 2035_3D          
assign (resid  37 and name  HB# ) ( resid  34 and name    HG )  5.00  3.10  0.99 ! 3868_2D          
assign (resid  37 and name  HB# ) ( resid  34 and name    HN )  3.70  1.80  1.80 ! 1617_3D          
assign (resid  37 and name   HN ) ( resid  36 and name    HN )  3.00  1.10  1.00 ! 3707_3D ! alpha2
assign (resid  37 and name   HA ) ( resid  38 and name    HN )  3.50  1.80  0.80 ! 3713_3D          
assign (resid  37 and name  HB# ) ( resid  38 and name    HN )  3.70  1.80  1.80 ! 3714_3D          
assign (resid  37 and name   HA ) ( resid  39 and name    HN )  4.50  2.60  1.00 ! 3939_2D ! alpha2
assign (resid  37 and name   HA ) ( resid  40 and name    HN )  3.50  1.60  1.00 ! 3921_3D ! alpha2
assign (resid  38 and name   HA ) ( resid  24 and name  HD1# )  5.00  3.10  0.99 ! 3663_2D          
assign (resid  38 and name   HA ) ( resid  24 and name  HG2# )  5.00  3.10  0.99 ! 4027_2D          
assign (resid  38 and name  HB1 ) ( resid  24 and name  HD1# )  5.00  3.10  0.99 ! 3662_2D          
assign (resid  38 and name  HB2 ) ( resid  24 and name  HD1# )  5.00  3.10  0.99 ! 4009_2D          
assign (resid  38 and name  HD# ) ( resid  24 and name  HD1# )  5.00  3.10  1.01 ! 3668_2D          
assign (resid  38 and name  HE1 ) ( resid  24 and name    HB )  5.00  3.10  1.00 ! 4020_2D          
assign (resid  38 and name  HE1 ) ( resid  24 and name  HD1# )  5.00  3.10  0.99 ! 3665_2D          
assign (resid  38 and name  HE1 ) ( resid  24 and name  HG2# )  5.00  3.10  1.00 ! 4017_2D
assign (resid  38 and name  HE1 ) ( resid  24 and name  HG12 )  5.00  3.10  1.00 ! 4019_2D          
assign (resid  38 and name  HE2 ) ( resid  24 and name    HB )  5.00  3.10  1.00 ! 4018_2D          
assign (resid  38 and name  HE2 ) ( resid  24 and name  HD1# )  5.00  3.10  0.99 ! 3660_2D          
assign (resid  38 and name  HE2 ) ( resid  24 and name  HG11 )  5.00  3.10  1.00 ! 3718_2D          
assign (resid  38 and name  HE2 ) ( resid  24 and name  HG12 )  5.00  3.10  1.00 ! 3722_2D          
assign (resid  38 and name  HE2 ) ( resid  24 and name  HG2# )  5.00  3.10  0.99 ! 3721_2D          
assign (resid  38 and name  HG# ) ( resid  24 and name  HD1# )  5.00  3.10  1.01 ! 4010_2D          
assign (resid  38 and name   HN ) ( resid  34 and name    HN )  5.00  3.10  1.00 ! 3705_3D          
assign (resid  38 and name  HE2 ) ( resid  34 and name    HN )  5.00  3.10  1.00 ! 3938_3D          
assign (resid  38 and name  HG# ) ( resid  34 and name    HN )  5.00  3.10  0.99 ! 3939_3D          
assign (resid  38 and name   HN ) ( resid  37 and name    HN )  3.00  1.10  0.80 ! 3708_3D ! alpha3  
assign (resid  38 and name  HE2 ) ( resid  37 and name    HN )  5.00  3.10  1.00 ! 3941_3D          
assign (resid  38 and name  HG# ) ( resid  37 and name    HN )  5.00  3.10  0.99 ! 3940_3D          refine_87_noexc.tbl
assign (resid  38 and name   HA ) ( resid  39 and name    HN )  3.50  1.60  1.00 ! 3726_3D ! alpha3
assign (resid  38 and name  HB1 ) ( resid  39 and name    HN )  5.00  3.10  1.00 ! 3725_3D          
assign (resid  38 and name  HB2 ) ( resid  39 and name    HN )  5.00  3.10  1.00 ! 3723_3D          
assign (resid  38 and name  HD# ) ( resid  39 and name    HN )  5.00  3.10  0.99 ! 3943_3D          
assign (resid  38 and name  HE2 ) ( resid  39 and name    HN )  5.00  3.10  1.00 ! 3942_3D          
assign (resid  38 and name  HG# ) ( resid  39 and name    HN )  5.00  3.10  0.99 ! 3724_3D          
assign (resid  38 and name   HA ) ( resid  41 and name    HN )  3.50  1.60  1.00 ! 3940_2D ! alpha3
assign (resid  38 and name   HA ) ( resid  41 and name   HE1 )  5.00  3.10  1.00 ! 3507_2D          
assign (resid  38 and name   HA ) ( resid  42 and name    HN )  4.20  2.70  1.00 ! 3508_2D ! alpha3
assign (resid  38 and name   HA ) ( resid  48 and name    HZ )  5.00  3.10  1.00 ! 3817_2D          
assign (resid  38 and name   HA ) ( resid  48 and name   HE# )  5.00  3.10  1.01 ! 3874_2D          
assign (resid  39 and name   HA ) ( resid  40 and name    HN )  3.50  1.60  1.00 ! 3736_3D ! alpha3
assign (resid  39 and name  HB# ) ( resid  40 and name    HN )  4.45  2.60  1.50 ! 3737_3D ! calib.
assign (resid  39 and name  HG# ) ( resid  40 and name    HN )  3.70  1.80  1.80 ! 3738_3D          
assign (resid  39 and name HE2# ) ( resid  38 and name    HN )  5.00  3.10  1.01 ! 3733_3D          
assign (resid  39 and name HE22 ) ( resid  40 and name    HN )  5.00  3.10  1.00 ! 3757_3D          
assign (resid  39 and name   HN ) ( resid  41 and name    HN )  4.20  2.40  1.00 ! 3754_3D ! alpha3
assign (resid  39 and name HE22 ) ( resid  41 and name    HN )  5.00  3.10  1.00 ! 3760_3D          
assign (resid  39 and name   HA ) ( resid  42 and name    HN )  3.50  1.60  1.00 ! 3746_3D ! alpha3 
assign (resid  39 and name HE22 ) ( resid  42 and name    HN )  5.00  3.10  1.00 ! 3762_3D          
assign (resid  39 and name   HA ) ( resid  43 and name    HN )  4.20  2.30  1.00 ! 3747_3D ! alpha3
assign (resid  40 and name   HN ) ( resid  39 and name    HN )  3.00  1.10  1.00 ! 3727_3D ! alpha3
assign (resid  40 and name  HB# ) ( resid  41 and name    HN )  3.70  1.80  1.80 ! 3742_3D          
assign (resid  40 and name   HA ) ( resid  41 and name    HN )  3.70  1.80  1.80 ! 4247_2D ! alpha3
assign (resid  40 and name  HD# ) ( resid  41 and name    HN )  5.00  3.10  0.99 ! 3798_3D          
assign (resid  40 and name  HG# ) ( resid  41 and name    HN )  3.70  1.80  1.80 ! 3743_3D          
assign (resid  40 and name   HN ) ( resid  42 and name    HN )  4.20  2.30  1.00 ! 3761_3D ! alpha3
assign (resid  40 and name   HA ) ( resid  43 and name   HB# )  4.05  2.10  1.50 ! 3937_2D ! calib.
assign (resid  41 and name  HD2 ) ( resid  38 and name    HN )  5.00  3.10  1.00 ! 3734_3D          
assign (resid  41 and name  HE1 ) ( resid  38 and name    HN )  5.00  3.10  1.00 ! 3732_3D          
assign (resid  41 and name   HN ) ( resid  40 and name    HN )  3.00  1.10  1.00 ! 3729_3D ! alpha3
assign (resid  41 and name  HD2 ) ( resid  40 and name    HN )  5.00  3.10  1.00 ! 3758_3D          
assign (resid  41 and name   HA ) ( resid  42 and name    HN )  3.50  1.60  1.00 ! 3922_3D ! alpha3
assign (resid  41 and name  HB1 ) ( resid  42 and name    HN )  4.45  2.60  1.50 ! 3744_3D ! calib.
assign (resid  41 and name  HB2 ) ( resid  42 and name    HN )  4.45  2.60  1.50 ! 3354_3D ! calib. 
assign (resid  41 and name  HD2 ) ( resid  42 and name    HN )  5.00  3.10  1.00 ! 3763_3D          
assign (resid  41 and name   HN ) ( resid  48 and name    HZ )  6.00  4.10  1.00 ! 3501_2D newpeak (old intra 135)
assign (resid  41 and name  HB1 ) ( resid  48 and name    HZ )  5.00  3.10  1.00 ! 3992_2D          
assign (resid  41 and name  HB1 ) ( resid  48 and name   HE# )  5.00  3.10  1.01 ! 3506_2D          
assign (resid  41 and name  HB2 ) ( resid  48 and name    HZ )  5.00  3.10  1.00 ! 3988_2D          
assign (resid  41 and name  HB2 ) ( resid  48 and name   HE# )  5.00  3.10  1.01 ! 3503_2D          
assign (resid  41 and name  HB1 ) ( resid  55 and name   HZ3 )  5.00  3.10  1.00 ! 3563_2D          
assign (resid  41 and name  HB2 ) ( resid  55 and name   HZ3 )  5.00  3.10  1.00 ! 3564_2D          
assign (resid  42 and name   HG ) ( resid  39 and name    HA )  5.00  3.10  1.00 ! 3770_2D          
assign (resid  42 and name   HG ) ( resid  39 and name  HE21 )  5.00  3.10  1.00 ! 3718_3D          
assign (resid  42 and name   HG ) ( resid  39 and name  HE21 )  5.00  3.10  1.00 ! 3771_2D          
assign (resid  42 and name   HG ) ( resid  39 and name  HE22 )  5.00  3.10  1.00 ! 3580_2D          
assign (resid  42 and name   HG ) ( resid  39 and name  HE22 )  5.00  3.10  1.00 ! 3716_3D          
assign (resid  42 and name  HB1 ) ( resid  39 and name    HA )  5.00  3.10  1.00 ! 3769_2D          
assign (resid  42 and name  HD# ) ( resid  39 and name    HA )  4.45  2.60  1.50 ! 3768_2D ! calib.
assign (resid  42 and name  HD# ) ( resid  39 and name  HE21 )  5.00  3.10  0.99 ! 3719_3D          
assign (resid  42 and name  HD# ) ( resid  39 and name  HE22 )  4.45  2.60  1.50 ! 3581_2D ! calib.
assign (resid  42 and name  HD# ) ( resid  39 and name  HE22 )  4.05  2.10  1.50 ! 3717_3D ! calib.
assign (resid  42 and name  HD# ) ( resid  40 and name    HN )  5.00  3.10  0.99 ! 3739_3D          
assign (resid  42 and name   HN ) ( resid  41 and name    HN )  3.00  1.10  0.80 ! 3352_3D ! alpha3
assign (resid  42 and name  HD# ) ( resid  41 and name    HN )  5.00  3.10  0.99 ! 3935_3D          
assign (resid  42 and name   HN ) ( resid  43 and name    HN )  3.00  1.10  1.00 ! 3753_3D ! alpha3
assign (resid  42 and name  HD# ) ( resid  48 and name    HZ )  5.00  3.10  0.99 ! 3890_2D ! ancien 11/48
assign (resid  42 and name  HD# ) ( resid  48 and name   HE# )  5.00  3.10  1.11 ! 3889_2D ! ancien 11/48
assign (resid  42 and name  HD# ) ( resid  55 and name   HH2 )  6.00  4.10  0.99 ! 3986_2D ! retry bc 3889-90
assign (resid  43 and name   HN ) ( resid  41 and name    HN )  4.20  2.30  1.00 ! 3755_3D ! alpha3
assign (resid  43 and name   HA ) ( resid  44 and name    HN )  3.50  1.60  1.00 ! 4161_2D ! alpha3
assign (resid  43 and name   HN ) ( resid  44 and name    HN )  3.00  1.10  1.00 ! 3202_3D ! alpha3
assign (resid  43 and name  HB# ) ( resid  44 and name    HN )  5.00  3.10  0.99 ! 3764_3D
assign (resid  43 and name   HA ) ( resid  45 and name    HN )  4.50  2.60  1.00 ! 4162_2D ! alpha3
assign (resid  43 and name   HN ) ( resid  45 and name    HN )  4.20  2.30  1.00 ! 3312_3D ! alpha3
assign (resid  48 and name  HB1 ) ( resid   6 and name    HN )  5.00  3.10  1.00 ! 3896_3D          
assign (resid  48 and name   HA ) ( resid  49 and name    HN )  2.50  0.60  0.80 ! 1621_3D ! beta2
assign (resid  48 and name   HN ) ( resid  49 and name    HN )  4.50  2.60  1.00 ! 3480_3D ! beta2
assign (resid  48 and name  HB1 ) ( resid  49 and name    HN )  5.00  3.10  1.00 ! 1629_3D          
assign (resid  48 and name  HB2 ) ( resid  49 and name    HN )  5.00  3.10  1.00 ! 1628_3D          
assign (resid  48 and name  HD# ) ( resid  49 and name    HN )  4.05  2.10  1.01 ! 1627_3D          
assign (resid  48 and name  HD# ) ( resid  49 and name    HN )  4.45  2.60  1.50 ! 3746_2D ! calib.
assign (resid  48 and name   HA ) ( resid  55 and name   HE3 )  5.00  3.10  0.99 ! 3922_2D          
assign (resid  48 and name   HA ) ( resid  55 and name   HH2 )  5.00  3.10  1.00 ! 3923_2D          
assign (resid  48 and name  HB# ) ( resid  55 and name   HE3 )  4.70  1.80  0.99 ! test
assign (resid  48 and name  HD# ) ( resid  55 and name   HE3 )  6.00  4.10  0.99 ! 4246_2D
assign (resid  48 and name  HB# ) ( resid  55 and name   HE3 )  4.70  1.80  0.99 ! 3569_2D          
assign (resid  48 and name  HB# ) ( resid  56 and name    HN )  5.00  3.10  1.00 ! 3849_3D          
assign (resid  48 and name  HB# ) ( resid  56 and name    HN )  5.00  3.10  1.00 ! 3848_3D          
assign (resid  49 and name   HA ) ( resid   5 and name   HB1 )  5.00  3.10  1.00 ! 3859_2D          
assign (resid  49 and name   HA ) ( resid   5 and name   HB2 )  5.00  3.10  1.00 ! 3920_2D          
assign (resid  49 and name   HA ) ( resid   6 and name    HN )  5.00  3.10  1.00 ! 3583_3D          
assign (resid  49 and name   HA ) ( resid   6 and name  HD## )  5.00  3.10  0.99 ! 3790_2D          
assign (resid  49 and name   HA ) ( resid  50 and name    HN )  2.50  0.60  1.00 ! 1396_3D ! beta2
assign (resid  49 and name  HB# ) ( resid  50 and name    HN )  5.00  3.10  0.99 ! 1397_3D          
assign (resid  49 and name  HB# ) ( resid  51 and name  HD1# )  3.70  1.80  0.98 ! 3755_2D          
assign (resid  49 and name   HA ) ( resid  55 and name   HE3 )  5.00  3.10  0.98 ! 3544_2D          
assign (resid  49 and name   HA ) ( resid  55 and name   HZ2 )  5.00  3.10  1.00 ! 3801_2D          
assign (resid  49 and name   HA ) ( resid  55 and name   HZ3 )  5.00  3.10  1.00 ! 3797_2D          
assign (resid  49 and name   HA ) ( resid  56 and name   HG# )  5.00  3.10  0.99 ! 3858_2D          
assign (resid  50 and name  HB1 ) ( resid   4 and name   HD# )  5.00  3.10  1.01 ! 3545_2D          
assign (resid  50 and name  HB1 ) ( resid   4 and name   HE# )  5.00  3.10  1.01 ! 3546_2D          
assign (resid  50 and name  HB2 ) ( resid   4 and name   HD# )  5.00  3.10  1.01 ! 3547_2D          
assign (resid  50 and name HD22 ) ( resid   4 and name   HE# )  5.00  3.10  1.01 ! 4053_2D          
assign (resid  50 and name   HA ) ( resid   4 and name    HN )  5.00  3.10  1.00 ! 3975_3D ! new peak
assign (resid  50 and name  HB# ) ( resid   4 and name    HN )  5.00  3.10  1.00 ! 3976_3D ! new peak
assign (resid  50 and name   HN ) ( resid   5 and name    HN )  5.00  3.10  1.00 ! 3866_3D          
assign (resid  50 and name   HA ) ( resid  49 and name   HB# )  5.00  3.10  0.99 ! 3735_2D          
assign (resid  50 and name   HA ) ( resid  51 and name    HN )  2.50  0.60  0.50 ! 3611_3D ! beta2
assign (resid  50 and name   HA ) ( resid  51 and name  HG12 )  5.00  3.10  1.00 ! 4062_2D          
assign (resid  50 and name   HA ) ( resid  51 and name  HD1# )  5.00  3.10  0.99 ! 3757_2D          
assign (resid  50 and name  HB1 ) ( resid  51 and name    HN )  5.00  3.10  1.00 ! 2166_3D          
assign (resid  50 and name  HB2 ) ( resid  51 and name    HN )  3.70  1.80  0.98 ! 2167_3D     
assign (resid  50 and name HD22 ) ( resid  51 and name    HN )  5.00  3.10  1.00 ! 3955_3D          
assign (resid  50 and name   HA ) ( resid  55 and name    HN )  5.00  3.10  1.00 ! 4103_2D          
assign (resid  50 and name   HA ) ( resid  55 and name   HE1 )  5.00  3.10  0.99 ! 3602_3D          
assign (resid  50 and name   HA ) ( resid  55 and name   HE3 )  5.00  3.10  0.99 ! 3857_2D          
assign (resid  50 and name  HB1 ) ( resid  55 and name   HE1 )  5.00  3.10  0.99 ! 3604_3D          
assign (resid  50 and name  HB# ) ( resid  55 and name   HZ2 )  5.00  3.10  1.00 ! 3606_2D          
assign (resid  50 and name  HB2 ) ( resid  55 and name   HE1 )  5.00  3.10  0.99 ! 3603_3D          
assign (resid  50 and name  HB# ) ( resid  55 and name   HE3 )  5.00  3.10  0.99 ! 3856_2D          
assign (resid  50 and name HD21 ) ( resid  55 and name    HN )  5.00  3.10  1.00 ! 4102_2D          
assign (resid  50 and name HD22 ) ( resid  55 and name    HN )  5.00  3.10  1.00 ! 4104_2D          
assign (resid  50 and name HD21 ) ( resid  55 and name   HD1 )  5.00  3.10  0.99 ! 3774_2D          
assign (resid  50 and name HD21 ) ( resid  55 and name   HE1 )  5.00  3.10  0.99 ! 3970_2D          
assign (resid  50 and name HD22 ) ( resid  55 and name   HD1 )  5.00  3.10  0.99 ! 4052_2D          
assign (resid  50 and name HD22 ) ( resid  55 and name   HE1 )  5.00  3.10  0.99 ! 3954_3D          
assign (resid  51 and name   HN ) ( resid  50 and name    HN )  4.50  2.60  1.00 ! 3847_3D ! beta2
assign (resid  51 and name   HA ) ( resid  53 and name    HN )  5.00  3.10  1.00 ! 1069_3D          
assign (resid  51 and name   HN ) ( resid  53 and name    HN )  5.00  3.10  1.00 ! 3519_3D          
assign (resid  51 and name HG2# ) ( resid  53 and name    HN )  5.00  3.10  0.99 ! 2129_3D          
assign (resid  51 and name HG11 ) ( resid  54 and name    HN )  5.00  3.10  1.00 ! 3897_3D          
assign (resid  51 and name HG2# ) ( resid  54 and name    HN )  5.00  3.10  0.99 ! 2571_3D          
assign (resid  51 and name   HN ) ( resid  56 and name    HN )  5.00  3.10  1.00 ! 3607_3D          
assign (resid  53 and name  HA1 ) ( resid  54 and name    HN )  4.05  2.10  1.75 !  978_3D ! calib.
assign (resid  53 and name  HA2 ) ( resid  54 and name    HN )  4.05  2.10  1.75 !  977_3D ! calib. 
assign (resid  54 and name   HA ) ( resid  50 and name  HD21 )  5.00  3.10  1.00 ! 3934_3D          
assign (resid  54 and name   HA ) ( resid  53 and name    HN )  5.00  3.10  1.00 ! 3800_3D          
assign (resid  54 and name   HN ) ( resid  53 and name    HN )  3.70  1.80  0.80 !  991_3D          
assign (resid  54 and name   HA ) ( resid  55 and name    HN )  2.50  0.60  0.50 ! 3524_3D ! beta3
assign (resid  54 and name  HB1 ) ( resid  55 and name    HN )  3.70  1.80  0.80 ! 3526_3D          
assign (resid  54 and name  HB2 ) ( resid  55 and name    HN )  3.70  1.80  0.80 ! 3525_3D          
assign (resid  54 and name  HG# ) ( resid  55 and name    HN )  3.70  1.80  1.80 ! 3527_3D          
assign (resid  55 and name  HE3 ) ( resid   6 and name    HN )  5.00  3.10  0.99 ! 3819_3D          
assign (resid  55 and name  HZ2 ) ( resid   6 and name    HN )  5.00  3.10  1.00 ! 3903_3D          
assign (resid  55 and name  HZ3 ) ( resid   6 and name    HN )  5.00  3.10  1.00 ! 3818_3D          
assign (resid  55 and name  HD1 ) ( resid  15 and name   HE# )  4.70  1.80  1.01 ! 4056_2D          
assign (resid  55 and name  HE1 ) ( resid  15 and name   HD# )  6.00  4.10  1.11 ! 4164_2D          
assign (resid  55 and name  HZ2 ) ( resid  15 and name   HE# )  6.00  4.10  1.01 ! 4055_2D          
assign (resid  55 and name  HB2 ) ( resid  24 and name  HD1# )  5.00  3.10  0.99 ! 3661_2D          
assign (resid  55 and name  HB2 ) ( resid  24 and name  HG12 )  5.00  3.10  1.00 ! 3720_2D          
assign (resid  55 and name  HB2 ) ( resid  24 and name  HG2# )  5.00  3.10  0.99 ! 3719_2D          
assign (resid  55 and name   HA ) ( resid  50 and name    HN )  5.00  3.10  1.00 ! 3871_3D          
assign (resid  55 and name   HA ) ( resid  50 and name   HB1 )  5.00  3.10  1.00 ! 3925_2D          
assign (resid  55 and name  HE3 ) ( resid  50 and name    HN )  5.00  3.10  0.99 ! 3957_2D          
assign (resid  55 and name  HZ3 ) ( resid  50 and name    HN )  5.00  3.10  1.00 ! 3778_3D          
assign (resid  55 and name  HZ3 ) ( resid  50 and name    HN )  5.00  3.10  1.00 ! 3956_2D          
assign (resid  55 and name   HN ) ( resid  51 and name    HN )  5.00  3.10  1.00 ! 3605_3D          
assign (resid  55 and name  HB1 ) ( resid  51 and name    HN )  5.00  3.10  1.00 ! 3609_3D          
assign (resid  55 and name  HB2 ) ( resid  51 and name    HN )  5.00  3.10  1.00 ! 3912_3D          
assign (resid  55 and name  HE3 ) ( resid  51 and name    HN )  5.00  3.10  0.99 ! 3913_3D          
assign (resid  55 and name   HN ) ( resid  54 and name    HN )  4.50  2.60  1.00 ! 3521_3D ! beta3
assign (resid  55 and name   HA ) ( resid  56 and name    HN )  2.50  0.60  0.80 ! 1819_3D ! beta3 
assign (resid  55 and name   HN ) ( resid  56 and name    HN )  4.50  2.60  1.00 ! 3475_3D ! beta3  
assign (resid  55 and name  HB1 ) ( resid  56 and name    HN )  5.00  3.10  1.00 ! 1836_3D          
assign (resid  55 and name  HB2 ) ( resid  56 and name    HN )  5.00  3.10  1.00 ! 1837_3D          
assign (resid  55 and name  HE3 ) ( resid  56 and name    HN )  5.00  3.10  0.99 ! 3779_3D          
assign (resid  55 and name  HZ3 ) ( resid  56 and name    HN )  5.00  3.10  1.00 ! 3780_3D          
assign (resid  56 and name   HA ) ( resid  25 and name    HN )  5.00  3.10  1.00 ! 3658_3D          
assign (resid  56 and name   HA ) ( resid  33 and name  HD1# )  5.00  3.10  0.99 ! 3702_2D          
assign (resid  56 and name   HA ) ( resid  33 and name  HD2# )  5.00  3.10  0.99 ! 3701_2D          
assign (resid  56 and name   HB ) ( resid  49 and name    HN )  5.00  3.10  1.00 ! 3961_3D          
assign (resid  56 and name  HG# ) ( resid  49 and name    HN )  5.00  3.10  0.99 ! 3865_3D          
assign (resid  56 and name  HG# ) ( resid  51 and name    HN )  5.00  3.10  0.99 ! 3951_2D          
assign (resid  56 and name  HG# ) ( resid  55 and name    HN )  5.00  3.10  0.99 ! 4092_2D          
assign (resid  60 and name   HA ) ( resid  61 and name    HN )  3.50  0.60  0.50 ! 1363_3D ! alpha         
assign (resid  60 and name  HE# ) ( resid  61 and name    HN )  5.00  3.10  0.99 ! 4166_2D          
assign (resid  60 and name  HB1 ) ( resid  61 and name    HN )  4.35  2.40  1.00 ! 1367_3D ! amb. B2      
assign (resid  60 and name  HB2 ) ( resid  61 and name    HN )  4.35  2.40  0.98 ! 1366_3D ! amb. B1
assign (resid  60 and name  HG1 ) ( resid  61 and name    HN )  5.00  3.10  1.00 ! 1365_3D          
assign (resid  60 and name  HG2 ) ( resid  61 and name    HN )  5.00  3.10  1.00 ! 1364_3D          
assign (resid  60 and name   HN ) ( resid  62 and name    HN )  4.20  2.30  1.00 ! 3538_3D ! alpha 
assign (resid  60 and name  HB1 ) ( resid  62 and name    HN )  5.00  3.10  1.00 ! 3790_3D          
assign (resid  60 and name  HB2 ) ( resid  62 and name    HN )  5.00  3.10  1.00 ! 3789_3D          
assign (resid  60 and name   HA ) ( resid  63 and name   HB1 )  5.00  3.10  1.00 ! 3915_2D          
assign (resid  60 and name   HN ) ( resid  63 and name    HN )  5.00  3.10  1.00 ! 3540_3D          
assign (resid  60 and name  HB1 ) ( resid  63 and name    HN )  5.00  3.10  1.00 ! 3916_2D          
assign (resid  60 and name  HB2 ) ( resid  63 and name    HN )  5.00  3.10  1.00 ! 3917_2D          
assign (resid  60 and name  HG1 ) ( resid  63 and name    HN )  5.00  3.10  1.00 ! 3556_2D          
assign (resid  61 and name   HA ) ( resid  60 and name    HA )  5.00  3.10  1.00 ! 3911_2D          
assign (resid  61 and name   HN ) ( resid  60 and name    HN )  3.00  1.10  1.00 ! 1379_3D ! alpha3
assign (resid  61 and name   HA ) ( resid  62 and name    HN )  3.50  0.60  0.50 !  988_3D ! alpha3 
assign (resid  61 and name  HB# ) ( resid  62 and name    HN )  3.20  0.60  1.50 ! 1342_3D ! calib. 
assign (resid  62 and name   HA ) ( resid  28 and name  HD21 )  5.00  3.10  1.00 ! 3925_3D          
assign (resid  62 and name   HA ) ( resid  28 and name  HD22 )  5.00  3.10  1.00 ! 3877_2D          
assign (resid  62 and name   HA ) ( resid  28 and name  HD22 )  5.00  3.10  1.00 ! 3928_3D          
assign (resid  62 and name  HB2 ) ( resid  28 and name  HD21 )  5.00  3.10  1.00 ! 3926_3D          
assign (resid  62 and name  HB2 ) ( resid  28 and name    HN )  5.00  3.10  1.00 ! 4167_2D          
assign (resid  62 and name  HB2 ) ( resid  28 and name  HD22 )  5.00  3.10  1.00 ! 3876_2D          
assign (resid  62 and name  HB2 ) ( resid  28 and name  HD22 )  5.00  3.10  1.00 ! 3927_3D          
assign (resid  62 and name  HB2 ) ( resid  29 and name   HB2 )  5.00  3.10  1.00 ! 3907_2D          
assign (resid  62 and name   HN ) ( resid  61 and name    HN )  3.70  1.80  0.80 ! 3536_3D          
assign (resid  62 and name  HB1 ) ( resid  61 and name    HN )  5.00  3.10  1.00 ! 2263_3D          
assign (resid  62 and name  HB2 ) ( resid  61 and name    HN )  5.00  3.10  1.00 ! 2262_3D          
assign (resid  62 and name   HA ) ( resid  63 and name    HN )  3.70  1.80  0.80 ! 1368_3D          
assign (resid  62 and name  HB1 ) ( resid  63 and name    HN )  4.25  2.10  1.50 ! 1370_3D ! calib.
assign (resid  62 and name  HB2 ) ( resid  63 and name    HN )  4.25  2.10  1.50 ! 1380_3D ! calib. 
assign (resid  63 and name   HN ) ( resid  61 and name    HN )  5.00  3.10  1.00 ! 2259_3D          
assign (resid  63 and name   HN ) ( resid  62 and name    HN )  3.70  1.80  0.80 ! 3484_3D          
assign (resid  63 and name   HA ) ( resid  64 and name    HN )  5.00  3.10  1.00 ! 1846_3D          
assign (resid  63 and name  HB1 ) ( resid  64 and name    HN )  5.00  3.10  1.00 ! 1844_3D          
assign (resid  63 and name  HB2 ) ( resid  64 and name    HN )  5.00  3.10  1.00 ! 1845_3D          
assign (resid  64 and name   HN ) ( resid  63 and name    HN )  5.00  3.10  1.00 ! 3563_3D          
assign (resid  64 and name   HA ) ( resid  65 and name    HN )  5.00  3.10  1.00 ! 3560_2D          
assign (resid  65 and name   HN ) ( resid  64 and name    HN )  5.00  3.10  1.00 ! 4168_2D          
assign (resid  66 and name   HA ) ( resid  67 and name    HN )  5.00  3.10  1.00 ! 3561_2D          
assign (resid  66 and name  HB# ) ( resid  67 and name    HN )  5.00  3.10  0.99 ! 3562_2D

! NOE between residues that do display exchange contribution in 15N dispersion experiment
! for these constraints, the parameter SQOFFSET is set to -1.0

         
assign (resid   6 and name   HA ) ( resid   7 and name    HN )  5.00  3.10  1.00 ! 1564_3D          
assign (resid   6 and name   HG ) ( resid   7 and name    HN )  5.00  3.10  1.00 ! 2234_3D          
assign (resid   6 and name   HN ) ( resid   7 and name    HN )  5.00  3.10  1.00 ! 3589_3D          
assign (resid   6 and name  HB# ) ( resid   7 and name    HN )  5.00  3.10  0.99 ! 3588_3D          
assign (resid   6 and name HD1# ) ( resid   7 and name    HN )  5.00  3.10  0.99 ! 2301_3D          
assign (resid   6 and name HD2# ) ( resid   7 and name    HN )  5.00  3.10  0.99 ! 1959_3D          
assign (resid   6 and name HD## ) ( resid  11 and name    HN )  5.00  3.10  1.00 ! 3917_3D ! ancien 23/11
assign (resid   7 and name   HA ) ( resid   8 and name    HN )  5.00  3.10  1.00 ! 3596_3D          
assign (resid   7 and name  HB1 ) ( resid   8 and name    HN )  5.00  3.10  1.00 ! 3595_3D          
assign (resid   7 and name  HB2 ) ( resid   8 and name    HN )  5.00  3.10  1.00 ! 3594_3D          
assign (resid   7 and name   HN ) ( resid  45 and name    HN )  5.00  3.10  1.00 ! 3769_3D
assign (resid   7 and name  HD# ) ( resid  45 and name    HN )  5.00  3.10  1.01 ! 3514_2D ! double
assign (resid   7 and name  HE# ) ( resid  45 and name    HN )  5.00  3.10  1.01 ! 3513_2D ! double
assign (resid   7 and name   HA ) ( resid  47 and name    HE )  5.00  3.10  2.00 ! 3965_2D          
assign (resid   7 and name   HA ) ( resid  48 and name    HN )  5.00  3.10  1.00 ! 3853_2D          
assign (resid   7 and name  HB1 ) ( resid  48 and name    HN )  5.00  3.10  1.00 ! 3911_3D          
assign (resid   7 and name  HD# ) ( resid  48 and name    HN )  5.00  3.10  1.01 ! 3773_3D          
assign (resid   7 and name   HA ) ( resid  48 and name   HD# )  5.00  3.10  3.00 ! 4058_2D ! non used from 62
assign (resid   8 and name  HA2 ) ( resid   7 and name   HD# )  5.00  3.10  1.01 ! 3827_2D          
assign (resid   8 and name  HA1 ) ( resid   9 and name    HN )  5.00  3.10  1.00 ! 4223_2D
assign (resid   8 and name  HA# ) ( resid  42 and name   HD# )  5.00  3.10  0.99 ! 3885_2D ! 11 -> intra42
assign ((resid  8 and name  HA# ) or (resid 59 and name  HB# )) 
      ( resid  48 and name   HD# )  6.00  3.10  1.01 ! 3820_2D ! add 1 ang. BK         
assign ((resid  8 and name  HA# ) or (resid 59 and name  HB# )) 
      ( resid  48 and name   HE# )  6.00  3.10  1.01 ! 3821_2D   BK + 1 ang. 
assign ((resid  8 and name  HA# ) or (resid 59 and name  HB# )) 
      ( resid  48 and name    HZ )  6.00  3.10  1.00 ! 3822_2D ! Cf 3875_2D BK
assign (resid   9 and name   HN ) ( resid  10 and name    HN )  5.00  3.10  1.00 ! 3948_2D          
assign (resid   9 and name   HA ) ( resid  10 and name    HN )  5.00  3.10  1.00 ! 4224_3D          
assign (resid  10 and name   HA ) ( resid  11 and name    HN )  5.00  3.10  1.00 ! 3945_2D          
assign (resid  10 and name  HB# ) ( resid  11 and name    HN )  5.00  3.10  0.99 ! 3946_2D          
assign (resid  10 and name   HN ) ( resid   8 and name    HN )  5.00  3.10  1.00 ! 3597_3D          
assign (resid  10 and name   HA ) ( resid  11 and name    HN )  5.00  3.10  1.00 ! 3879_3D          
assign (resid  10 and name   HN ) ( resid  11 and name    HN )  5.00  3.10  1.00 ! 3885_3D          
assign (resid  10 and name   HA ) ( resid  12 and name    HN )  5.00  3.10  1.00 ! 4096_2D          
assign (resid  10 and name  HG# ) ( resid  12 and name    HN )  5.00  3.10  1.00 ! 4222_2D          
assign (resid  11 and name   HA ) ( resid   8 and name    HN )  5.00  3.10  1.00 ! 3838_3D          
assign (resid  11 and name  HB# ) ( resid   8 and name    HN )  5.00  3.10  0.99 ! 3887_3D          
assign (resid  11 and name  HG# ) ( resid   8 and name    HN )  5.00  3.10  0.99 ! 3888_3D          
assign (resid  11 and name   HA ) ( resid  12 and name    HN )  5.00  3.10  1.00 ! 3858_3D          
assign (resid  11 and name  HD# ) ( resid  12 and name    HN )  5.00  3.10  0.99 ! 3916_3D          
assign (resid  11 and name  HG# ) ( resid  12 and name    HN )  5.00  3.10  0.99 ! 3859_3D          
assign (resid  11 and name  HB# ) ( resid  13 and name  HE21 )  5.00  3.10  0.99 ! 3861_3D          
assign (resid  11 and name  HB# ) ( resid  13 and name  HE22 )  5.00  3.10  0.99 ! 3860_3D          
assign (resid  11 and name   HA ) ( resid  14 and name    HN )  5.00  3.10  1.00 ! 3850_3D          
assign (resid  12 and name   HN ) ( resid  11 and name    HN )  5.00  3.10  1.00 ! 3886_3D          
assign (resid  12 and name   HA ) ( resid  13 and name    HN )  5.00  3.10  1.00 ! 3624_3D          
assign (resid  13 and name HE21 ) ( resid  12 and name    HN )  5.00  3.10  1.00 ! 3842_3D          
assign (resid  13 and name  HB1 ) ( resid  14 and name    HN )  3.70  1.80  0.80 ! 1674_3D          
assign (resid  13 and name  HB2 ) ( resid  14 and name    HN )  2.50  0.60  1.70 ! 1675_3D     
assign (resid  13 and name  HG1 ) ( resid  14 and name    HN )  5.00  3.10  1.00 ! 1676_3D          
assign (resid  13 and name  HG2 ) ( resid  14 and name    HN )  5.00  3.10  1.00 ! 1677_3D          
assign (resid  15 and name  HD# ) ( resid  12 and name    HN )  6.00  4.10  1.01 ! 3841_3D          
assign (resid  15 and name  HB1 ) ( resid  17 and name    HN )  5.00  3.10  1.00 ! 2530_3D          
assign (resid  15 and name  HB2 ) ( resid  17 and name    HN )  5.00  3.10  1.00 ! 2529_3D          
assign (resid  15 and name  HD# ) ( resid  17 and name    HN )  5.00  3.10  1.01 ! 3621_3D          
assign (resid  16 and name   HA ) ( resid  17 and name    HN )  3.50  1.80  0.80 !  983_3D          
assign (resid  16 and name  HB1 ) ( resid  17 and name    HN )  5.00  3.10  1.00 ! 2532_3D          
assign (resid  16 and name  HB2 ) ( resid  17 and name    HN )  5.00  3.10  1.00 ! 2531_3D          
assign (resid  17 and name   HA ) ( resid  18 and name   HB1 )  5.00  3.10  1.00 ! 4073_2D          
assign (resid  17 and name   HA ) ( resid  18 and name   HB2 )  5.00  3.10  1.00 ! 4085_2D          
assign (resid  17 and name   HA ) ( resid  18 and name   HD1 )  3.75  1.80  1.50 ! 3780_2D ! calib.
assign (resid  17 and name   HA ) ( resid  18 and name   HD2 )  3.75  1.80  1.50 ! 3781_2D ! calib.
assign (resid  17 and name  HB1 ) ( resid  18 and name   HD1 )  5.00  3.10  1.00 ! 3786_2D          
assign (resid  17 and name  HB1 ) ( resid  18 and name   HD2 )  5.00  3.10  1.00 ! 3787_2D          
assign (resid  17 and name  HG# ) ( resid  18 and name   HD1 )  5.00  3.10  0.99 ! 3789_2D          
assign (resid  17 and name  HG# ) ( resid  18 and name   HD2 )  5.00  3.10  0.99 ! 3788_2D          
assign (resid  17 and name  HZ# ) ( resid  21 and name   OD1 )  6.00  4.10  0.99 ! test_HH ! liaison H 17/21 mvt
assign (resid  17 and name  HB# ) ( resid  22 and name  HD1# )  6.00  4.10  0.99 ! 3669_2D          
assign (resid  17 and name  HB# ) ( resid  22 and name  HD2# )  6.00  4.10  0.99 ! 3672_2D          
assign (resid  17 and name  HD1 ) ( resid  22 and name  HD## )  5.00  3.10  0.99 ! 3686_2D ! ancien 6/22          
assign (resid  17 and name  HD2 ) ( resid  22 and name  HD## )  5.00  3.10  0.99 ! 3687_2D ! ancien 6/22
assign (resid  17 and name  HE# ) ( resid  22 and name  HD2# )  5.00  3.10  0.99 ! 4021_2D          
assign (resid  17 and name  HE# ) ( resid  22 and name  HD1# )  5.00  3.10  0.99 ! 3673_2D          
assign (resid  17 and name  HE# ) ( resid  22 and name  HD2# )  5.00  3.10  0.99 ! 3674_2D          
assign (resid  18 and name  HD1 ) ( resid  17 and name    HN )  5.00  3.10  1.00 ! 3101_3D          
assign (resid  18 and name  HD2 ) ( resid  17 and name    HN )  5.00  3.10  1.00 ! 3102_3D          
assign (resid  18 and name   HA ) ( resid  19 and name    HN )  5.00  3.10  1.00 ! 1976_3D          
assign (resid  18 and name  HB1 ) ( resid  19 and name    HN )  5.00  3.10  1.00 ! 1980_3D          
assign (resid  18 and name  HB2 ) ( resid  19 and name    HN )  5.00  3.10  1.00 ! 1981_3D          
assign (resid  18 and name  HG2 ) ( resid  19 and name    HN )  5.00  3.10  1.00 ! 1979_3D          
assign (resid  18 and name  HB1 ) ( resid  20 and name    HN )  5.00  3.10  1.00 ! 1984_3D          
assign (resid  18 and name  HB2 ) ( resid  20 and name    HN )  5.00  3.10  1.00 ! 1985_3D          
assign (resid  18 and name  HG2 ) ( resid  20 and name    HN )  5.00  3.10  1.00 ! 1983_3D          
assign (resid  18 and name  HB1 ) ( resid  21 and name    HN )  3.70  1.80  0.98 ! 3639_3D     
assign (resid  18 and name  HB2 ) ( resid  21 and name    HN )  5.00  3.10  1.00 ! 3638_3D          
assign (resid  18 and name  HG1 ) ( resid  21 and name    HN )  5.00  3.10  1.00 ! 3970_3D          
assign (resid  18 and name  HD1 ) ( resid  21 and name   HB1 )  5.00  3.10  1.00 ! 3782_2D          
assign (resid  18 and name  HD1 ) ( resid  21 and name   HB2 )  5.00  3.10  1.00 ! 3784_2D          
assign (resid  18 and name  HD2 ) ( resid  21 and name   HB1 )  5.00  3.10  1.00 ! 3783_2D          
assign (resid  18 and name  HD2 ) ( resid  21 and name   HB2 )  5.00  3.10  1.00 ! 3785_2D          
assign (resid  18 and name  HG2 ) ( resid  21 and name    HN )  3.70  1.80  0.80 ! 3640_3D          
assign (resid  19 and name   HA ) ( resid  15 and name   HD# )  6.00  4.10  1.01 ! 3567_2D          
assign (resid  19 and name   HA ) ( resid  15 and name   HE# )  6.00  4.10  1.01 ! 3568_2D          
assign (resid  19 and name   HG ) ( resid  15 and name   HB1 )  6.00  4.10  1.00 ! 3973_2D          
assign (resid  19 and name  HB2 ) ( resid  15 and name   HB1 )  6.00  4.10  1.00 ! 3974_2D          
assign (resid  19 and name   HA ) ( resid  20 and name    HN )  5.00  3.10  1.00 ! 1839_3D          
assign (resid  19 and name   HG ) ( resid  20 and name    HN )  5.00  3.10  1.00 ! 1982_3D          
assign (resid  19 and name   HN ) ( resid  20 and name    HN )  5.00  3.10  1.00 ! 3654_3D          
assign (resid  19 and name  HB1 ) ( resid  20 and name    HN )  5.00  3.10  1.00 ! 1842_3D          
assign (resid  19 and name  HB2 ) ( resid  20 and name    HN )  5.00  3.10  1.00 ! 1843_3D          
assign (resid  19 and name HD1# ) ( resid  20 and name    HN )  5.00  3.10  0.99 ! 1840_3D          
assign (resid  19 and name HD2# ) ( resid  20 and name    HN )  5.00  3.10  0.99 ! 1841_3D          
assign (resid  19 and name   HA ) ( resid  21 and name    HN )  3.70  1.80  1.50 ! 3637_3D ! calib.
assign (resid  19 and name  HB# ) ( resid  21 and name    HN )  3.70  1.80  1.50 ! 3643_3D ! calib.
assign (resid  19 and name HD1# ) ( resid  21 and name    HN )  6.00  4.10  0.99 ! 3641_3D          
assign (resid  19 and name HD2# ) ( resid  21 and name    HN )  6.00  4.10  0.99 ! 3642_3D          
assign (resid  19 and name   HA ) ( resid  22 and name    HN )  4.45  2.60  1.50 ! 2904_3D ! calib.
assign (resid  19 and name   HA ) ( resid  22 and name  HD1# )  5.00  3.10  0.99 ! 3681_2D          
assign (resid  19 and name   HG ) ( resid  22 and name  HD1# )  4.70  1.80  0.98 ! 3975_2D          
assign (resid  19 and name   HG ) ( resid  22 and name  HD2# )  4.70  1.80  0.98 ! 3976_2D          
assign (resid  19 and name HD1# ) ( resid  22 and name    HN )  6.00  4.10  0.99 ! 3648_3D          
assign (resid  19 and name HD1# ) ( resid  22 and name  HD1# )  6.00  4.10  1.01 ! 3683_2D          
assign (resid  19 and name HD2# ) ( resid  22 and name    HN )  6.00  4.10  0.99 ! 3649_3D          
assign (resid  19 and name HD2# ) ( resid  22 and name  HD1# )  6.00  4.10  1.01 ! 3682_2D          
assign (resid  19 and name HD2# ) ( resid  23 and name  HD1# )  6.00  4.10  1.01 ! 3727_2D          
assign (resid  19 and name   HA ) ( resid  24 and name  HD1# )  6.00  4.10  0.99 ! 3828_2D          
assign (resid  19 and name HD1# ) ( resid  24 and name  HD1# )  6.00  4.10  1.01 ! 3726_2D          
assign (resid  19 and name HD## ) ( resid  41 and name    HN )  6.00  4.10  0.99 ! 3952_3D          
assign (resid  19 and name HD1# ) ( resid  42 and name    HN )  6.00  4.10  0.99 ! 3950_3D          
assign (resid  19 and name HD2# ) ( resid  42 and name    HN )  6.00  4.10  0.99 ! 3951_3D          
assign (resid  19 and name HD1# ) ( resid  48 and name    HZ )  6.00  4.10  0.99 ! 3630_2D          
assign (resid  19 and name HD1# ) ( resid  48 and name   HD# )  6.00  4.10  1.11 ! 3627_2D          
assign (resid  19 and name HD2# ) ( resid  48 and name    HZ )  6.00  4.10  0.99 ! 3629_2D          
assign (resid  19 and name HD1# ) ( resid  55 and name   HZ3 )  6.00  4.10  0.99 ! 3625_2D          
assign (resid  19 and name HD2# ) ( resid  55 and name   HZ3 )  6.00  4.10  0.99 ! 3626_2D          
assign (resid  20 and name   HN ) ( resid  16 and name  HD2# )  6.00  4.10  1.00 ! 3837_3D          
assign (resid  20 and name   HA ) ( resid  21 and name    HN )  5.00  3.10  1.00 ! 3636_3D          
assign (resid  20 and name   HA ) ( resid  22 and name    HN )  5.00  3.10  1.00 ! 3914_3D          
assign (resid  21 and name  HB# ) ( resid  17 and name   HB1 )  6.00  4.10  1.00 ! 4089_2D ! mvt <- (run 78)
assign (resid  21 and name  HB# ) ( resid  17 and name   HB2 )  6.00  4.10  1.00 ! 4088_2D ! mvt <- (run 78)
assign (resid  21 and name  HB# ) ( resid  17 and name   HD1 )  6.00  4.10  1.00 ! 4087_2D ! mvt <- (run 78)
assign (resid  21 and name  HB# ) ( resid  17 and name   HD2 )  6.00  4.10  1.00 ! 4086_2D ! mvt <- (run 78)
assign (resid  21 and name  HB# ) ( resid  17 and name   HG# )  6.00  4.10  0.99 ! 4090_2D ! mvt <- (run 78)
assign (resid  21 and name   HN ) ( resid  19 and name    HN )  5.00  3.10  1.00 ! 3652_3D         
assign (resid  21 and name  HB1 ) ( resid  19 and name    HN )  5.00  3.10  1.00 ! 2264_3D          
assign (resid  21 and name  HB2 ) ( resid  19 and name    HN )  5.00  3.10  1.00 ! 2265_3D          
assign (resid  22 and name HD1# ) ( resid  17 and name    HN )  5.00  3.10  0.99 ! 2534_3D          
assign (resid  22 and name HD2# ) ( resid  17 and name    HN )  5.00  3.10  0.99 ! 2533_3D          
assign (resid  23 and name HD1# ) ( resid  19 and name  HD1# )  6.00  4.10  1.01 ! 3635_2D          
assign (resid  23 and name HD2# ) ( resid  19 and name  HD2# )  6.00  4.10  1.01 ! 3636_2D          
assign (resid  26 and name   HA ) ( resid  27 and name    HN )  3.50  1.60  1.00 !  975_3D          
assign (resid  26 and name   HA ) ( resid  27 and name  HG2# )  4.05  2.10  1.75 ! 3866_2D ! calib.
assign (resid  26 and name   HN ) ( resid  27 and name    HN )  5.00  3.10  1.00 ! 2111_3D          
assign (resid  26 and name  HB1 ) ( resid  27 and name    HN )  5.00  3.10  1.00 ! 2113_3D          
assign (resid  26 and name  HB2 ) ( resid  27 and name    HN )  5.00  3.10  1.00 ! 2112_3D          
assign (resid  26 and name   HA ) ( resid  58 and name    HA )  5.00  3.10  2.00 ! 3831_2D          
assign (resid  26 and name   HA ) ( resid  59 and name    HN )  4.41  2.60  1.50 ! 2037_3D ! calib82
assign (resid  26 and name   HN ) ( resid  59 and name    HN )  5.00  3.10  1.00 ! 2032_3D          
assign (resid  26 and name  HB1 ) ( resid  59 and name    HN )  5.00  3.10  1.00 ! 2050_3D          
assign (resid  26 and name  HB1 ) ( resid  59 and name   HB1 )  5.00  3.10  1.00 ! 3902_2D          
assign (resid  26 and name  HB2 ) ( resid  59 and name    HN )  5.00  3.10  1.00 ! 2048_3D          
assign (resid  26 and name  HB2 ) ( resid  59 and name   HB1 )  5.00  3.10  1.00 ! 3528_2D          
assign (resid  27 and name   HA ) ( resid  28 and name    HN )  3.70  1.80  0.80 ! 3564_3D          
assign (resid  27 and name   HB ) ( resid  28 and name    HN )  5.00  3.10  1.00 ! 2179_3D          
assign (resid  27 and name HD1# ) ( resid  28 and name    HN )  5.00  3.10  0.99 ! 2180_3D          
assign (resid  27 and name HG11 ) ( resid  28 and name    HN )  5.00  3.10  1.00 ! 2177_3D          
assign (resid  27 and name HG12 ) ( resid  28 and name    HN )  5.00  3.10  1.00 ! 2178_3D          
assign (resid  27 and name HG2# ) ( resid  28 and name    HN )  2.50  0.60  1.11 ! 2181_3D     
assign (resid  27 and name HG2# ) ( resid  28 and name  HD21 )  5.00  3.10  0.99 ! 3687_3D          
assign (resid  27 and name HG2# ) ( resid  28 and name  HD22 )  5.00  3.10  0.99 ! 3582_2D          
assign (resid  27 and name   HA ) ( resid  29 and name    HN )  3.70  1.80  1.80 ! 3840_3D          
assign (resid  27 and name   HB ) ( resid  29 and name    HN )  5.00  3.10  1.00 ! 3890_3D          
assign (resid  27 and name HD1# ) ( resid  29 and name    HN )  5.00  3.10  0.99 ! 2733_3D          
assign (resid  27 and name HG11 ) ( resid  29 and name    HN )  5.00  3.10  1.00 ! 2815_3D          
assign (resid  27 and name HG12 ) ( resid  29 and name    HN )  5.00  3.10  1.00 ! 2816_3D          
assign (resid  27 and name HG2# ) ( resid  29 and name    HN )  5.00  3.10  0.99 ! 3672_3D          
assign (resid  27 and name   HN ) ( resid  30 and name    HN )  5.00  3.10  1.00 ! 3565_3D          
assign (resid  27 and name HD1# ) ( resid  30 and name  HE21 )  5.00  3.10  0.99 ! 3829_3D          
assign (resid  27 and name HD1# ) ( resid  30 and name  HE22 )  5.00  3.10  0.99 ! 3828_3D          
assign (resid  27 and name HG11 ) ( resid  30 and name    HN )  5.00  3.10  1.50 ! 3909_3D          
assign (resid  27 and name HG11 ) ( resid  30 and name  HE21 )  5.00  3.10  1.00 ! 3904_3D          
assign (resid  27 and name HG12 ) ( resid  30 and name    HN )  4.45  2.60  2.00 ! 3908_3D          
assign (resid  27 and name HG12 ) ( resid  30 and name  HE21 )  5.00  3.10  1.00 ! 3905_3D          
assign (resid  27 and name HG2# ) ( resid  30 and name    HN )  5.00  3.10  0.99 ! 3910_3D          
assign (resid  27 and name HD1# ) ( resid  49 and name   HD2 )  5.00  3.10  0.99 ! 3847_2D          
assign (resid  27 and name   HA ) ( resid  56 and name   HG# )  3.70  1.80  1.80 ! 3651_2D          
assign (resid  27 and name   HB ) ( resid  57 and name    HN )  5.00  3.10  1.00 ! 3786_3D          
assign (resid  27 and name   HB ) ( resid  58 and name   HD# )  6.00  4.10  0.99 ! 4110_2D          
assign (resid  27 and name   HB ) ( resid  59 and name    HN )  6.00  4.10  1.00 ! 3962_3D ! look spectra         
assign (resid  27 and name HG12 ) ( resid  59 and name    HN )  6.00  4.10  1.00 ! 3963_3D ! look spectra
assign (resid  27 and name HG2# ) ( resid  59 and name    HN )  6.00  4.10  0.99 ! 3784_3D ! look spectra  
assign (resid  28 and name   HA ) ( resid  27 and name    HA )  5.00  3.10  1.00 ! 3904_2D          
assign (resid  28 and name   HN ) ( resid  27 and name    HN )  4.01  2.10  2.00 ! 2110_3D ! calib82
assign (resid  28 and name  HB1 ) ( resid  27 and name  HG2# )  4.45  2.60  1.50 ! 3692_2D ! calib.
assign (resid  28 and name  HB2 ) ( resid  27 and name  HG2# )  4.45  2.60  1.50 ! 3691_2D ! calib.
assign (resid  29 and name   HN ) ( resid  59 and name    HN )  5.00  3.10  1.00 ! 3542_3D          
assign (resid  33 and name HD1# ) ( resid  27 and name    HN )  5.00  3.10  0.99 ! 3663_3D          
assign (resid  33 and name HD1# ) ( resid  57 and name    HN )  5.00  3.10  0.99 ! 3667_3D          
assign (resid  33 and name HD2# ) ( resid  57 and name    HN )  5.00  3.10  0.99 ! 3668_3D          
assign (resid  33 and name HD1# ) ( resid  58 and name    HN )  5.00  3.10  0.99 ! 2092_3D          
assign (resid  33 and name HD2# ) ( resid  58 and name    HN )  5.00  3.10  0.99 ! 2093_3D          
assign (resid  33 and name HD1# ) ( resid  58 and name   HH# )  5.00  3.10  1.01 ! 3750_2D          
assign (resid  33 and name HD2# ) ( resid  58 and name   HH# )  5.00  3.10  1.01 ! 3751_2D          
assign (resid  33 and name HD1# ) ( resid  59 and name    HN )  5.00  3.10  0.99 ! 3405_3D          
assign (resid  33 and name HD2# ) ( resid  59 and name    HN )  5.00  3.10  0.99 ! 3404_3D

assign (resid  35 and name  HG# )
      (( resid 33 and name HD1# ) or (resid 19 and name HD1# )) 5.00  3.10  0.99 ! 4024_2D ! ancien 12/19
assign (resid  35 and name  HG# )
      (( resid 33 and name HD2# ) or (resid 19 and name HD2# )) 5.00  3.10  0.99 ! 4025_2D ! ancien 12/19
             
assign (resid 38 and name   HA ) 
      ((resid 33 and name HD2# ) or (resid 19 and name  HD2# )) 5.00  3.10  2.00 ! 4066_2D
assign (resid 38 and name  HE# )
      ((resid 33 and name HD1# ) or (resid 19 and name  HD1# )) 5.00  3.10  1.01 ! 4040_2D ! ancien 12/19
assign (resid 38 and name  HG# )
      ((resid 33 and name HD1# ) or (resid 19 and name HD1# ))  5.00  3.10  1.01 ! 4029_2D ! ancien 38/19
assign (resid 38 and name  HG# ) 
      ((resid 33 and name HD2# ) or (resid 19 and name HD2# ))  5.00  3.10  1.01 ! 4030_2D ! ancien 38/19
assign ((resid 38 and name HB# ) or (resid 35 and name   HB# ))
      ((resid 33 and name HD1# ) or (resid 19 and name  HD1# )) 5.00  3.10  0.99 ! 4042_2D ! ancien 12/19
assign ((resid 38 and name HB# ) or (resid 35 and name   HB# ))
      ((resid 33 and name HD2# ) or (resid 19 and name  HD2# )) 5.00  3.10  0.99 ! 4068_2D ! ancien 12/19
assign ((resid 38 and name HD# ) or (resid 58 and name  HB# ))
      ((resid 33 and name HD1# ) or (resid 19 and name HD1# ))  4.05  2.10  1.75 ! 4022_2D ! ancien 38/19 calib.
assign ((resid 38 and name HD# ) or (resid 58 and name  HB# ))
      ((resid 33 and name HD2# ) or (resid 19 and name HD2# ))  4.05  2.10  1.75 ! 4023_2D ! ancien 38/19 calib.
      
assign (resid  39 and name  HB# ) ( resid  43 and name    HN )  5.00  3.10  0.99 ! 3749_3D          
assign (resid  39 and name HE22 ) ( resid  43 and name    HN )  5.00  3.10  1.00 ! 3752_3D          
assign (resid  40 and name   HA ) ( resid  43 and name   HB# )  4.05  2.10  1.50 ! 3937_2D ! calib.
assign (resid  41 and name   HA ) ( resid  47 and name   HB# )  6.00  4.10  1.00 ! 3772_2D ! retry bc 40-48
assign (resid  42 and name  HD# ) ( resid  19 and name  HD1# )  3.75  2.10  1.50 ! 3724_2D ! calib.
assign (resid  42 and name  HD# ) ( resid  19 and name  HD2# )  3.75  2.10  1.50 ! 3725_2D ! calib.
assign (resid  42 and name   HA ) ( resid  43 and name    HN )  3.50  1.80  0.80 ! 2182_3D          
assign (resid  42 and name   HG ) ( resid  43 and name    HN )  5.00  3.10  1.00 ! 2170_3D          
assign (resid  42 and name  HB1 ) ( resid  43 and name    HN )  5.00  3.10  1.00 ! 2169_3D          
assign (resid  42 and name  HB2 ) ( resid  43 and name    HN )  5.00  3.10  1.00 ! 3748_3D          
assign (resid  42 and name  HD# ) ( resid  43 and name    HN )  5.00  3.10  0.99 ! 2171_3D          
assign (resid  43 and name   HA ) ( resid  39 and name  HE22 )  5.00  3.10  1.00 ! 3750_3D          
assign (resid  43 and name  HB# ) ( resid  39 and name  HE22 )  5.00  3.10  0.99 ! 3741_3D          
assign (resid  43 and name  HB# ) ( resid  40 and name    HN )  5.00  3.10  0.99 ! 3740_3D          
assign (resid  43 and name  HB# ) ( resid  45 and name    HN )  5.00  3.10  0.99 ! 3765_3D          
assign (resid  44 and name   HA ) ( resid   8 and name    HN )  5.00  3.10  1.00 ! 4244_2D          
assign (resid  44 and name  HB# ) ( resid   8 and name    HN )  5.00  3.10  1.00 ! 4235_2D          
assign (resid  44 and name  HD2 ) ( resid   8 and name    HN )  5.00  3.10  1.00 ! 4236_2D          
assign (resid  44 and name  HD1 ) ( resid   8 and name    HN )  5.00  3.10  1.00 ! 4237_2D          
assign (resid  44 and name   HA ) ( resid   9 and name    HN )  5.00  3.10  1.00 ! 4245_2D          
assign (resid  44 and name  HD1 ) ( resid  43 and name    HN )  5.00  3.10  1.00 ! 3557_2D    SUPP BK 
assign (resid  44 and name   HA ) ( resid  45 and name    HN )  5.00  3.10  1.00 ! 3768_3D          
assign (resid  44 and name  HB# ) ( resid  45 and name    HN )  5.00  3.10  0.99 ! 3766_3D   SUPP BK       
assign (resid  44 and name  HG# ) ( resid  45 and name    HN )  5.00  3.10  0.99 ! 3767_3D   SUPP BK      
assign (resid  45 and name   HA ) ( resid   7 and name   HE# )  6.00  4.10  1.01 ! 3611_2D ! mvt ?
assign (resid  45 and name  HG2 ) ( resid   7 and name   HD# )  6.00  4.10  1.01 ! 3962_2D ! mvt ?  
assign (resid  45 and name  HB1 ) ( resid   7 and name   HE# )  4.70  2.80  1.01 ! 3612_2D ! mvt ?
assign (resid  45 and name  HB2 ) ( resid   7 and name   HE# )  6.00  4.10  0.99 ! 3620_2D ! mvt ?  
assign (resid  45 and name  HD1 ) ( resid   7 and name   HE# )  6.00  4.10  0.99 ! 3616_2D ! mvt ?  
assign (resid  45 and name  HG1 ) ( resid   7 and name   HE# )  6.00  4.10  0.99 ! 3615_2D ! mvt ?  
assign (resid  45 and name  HG2 ) ( resid   7 and name   HE# )  6.00  4.10  0.99 ! 3617_2D ! mvt ?  
assign (resid  45 and name   HN ) ( resid  44 and name    HN )  4.01  2.10  1.75 ! 3771_3D ! calib82 SUPP BK
assign (resid  45 and name  HG1 ) ( resid  46 and name    HN )  5.00  3.10  1.00 ! 3853_3D          
assign (resid  45 and name  HG2 ) ( resid  46 and name  HE21 )  5.00  3.10  1.00 ! 3863_3D          
assign (resid  45 and name  HD2 ) ( resid  48 and name    HZ )  5.00  3.10  1.00 ! 3990_2D ! ancien 38/48
assign (resid  45 and name  HD2 ) ( resid  48 and name   HD# )  5.00  3.10  1.11 ! 3888_2D ! ancien 11/48
assign (resid  45 and name  HD1 ) ( resid  48 and name   HD# )  5.00  3.10  1.11 ! 3888_2Dbis ! ancien 11/48
assign (resid  46 and name   HN ) ( resid  45 and name    HN )  5.00  3.10  1.00 ! 3851_3D          
assign (resid  46 and name   HA ) ( resid  47 and name    HN )  5.00  3.10  1.00 ! 3852_3D          
assign (resid  47 and name   HE ) ( resid   7 and name   HD# )  5.00  3.10  1.01 ! 3960_2D          
assign (resid  47 and name   HE ) ( resid   7 and name   HE# )  5.00  3.10  1.01 ! 3961_2D          
assign (resid  47 and name HH2# ) ( resid  46 and name  HE21 )  5.00  3.10  0.99 ! 3809_3D          
assign (resid  47 and name HH2# ) ( resid  46 and name  HE22 )  5.00  3.10  0.99 ! 3810_3D          
assign (resid  47 and name   HE ) ( resid  48 and name    HN )  5.00  3.10  1.00 ! 3932_3D          
assign (resid  47 and name   HE ) ( resid  48 and name    HN )  5.00  3.10  1.00 ! 3959_2D          
assign (resid  48 and name  HD# ) ( resid  19 and name  HD2# )  4.70  1.80  1.21 ! 4050_2D          
assign (resid  48 and name   HN ) ( resid  47 and name    HN )  5.00  3.10  1.00 ! 3920_3D          
assign (resid  48 and name  HD# ) ( resid  57 and name    HN )  5.00  3.10  1.01 ! 3748_2D          
assign (resid  48 and name   HZ ) ( resid  58 and name    HN )  5.00  3.10  1.00 ! 3849_2D          
assign (resid  48 and name   HZ ) ( resid  58 and name   HH# )  5.00  3.10  0.99 ! 3809_2D          
assign (resid  48 and name  HD# ) ( resid  58 and name    HN )  5.00  3.10  1.01 ! 3850_2D          
assign (resid  48 and name   HZ ) ( resid  59 and name   HB2 )  6.00  4.10  1.00 ! 3875_2D          
assign (resid  49 and name   HN ) ( resid  57 and name    HN )  5.00  3.10  1.00 ! 3867_3D          
assign (resid  51 and name   HA ) ( resid  52 and name    HA )  5.00  3.10  1.00 ! 3913_2D          
assign (resid  51 and name   HA ) ( resid  52 and name    HN )  4.01  2.10  1.75 ! 1068_3D ! calib82
assign (resid  51 and name   HB ) ( resid  52 and name    HN )  5.00  3.10  1.00 ! 4163_2D          
assign (resid  51 and name HD1# ) ( resid  52 and name    HN )  5.00  3.10  0.99 ! 2123_3D          
assign (resid  51 and name HG11 ) ( resid  52 and name    HN )  5.00  3.10  1.00 ! 2121_3D          
assign (resid  51 and name HG12 ) ( resid  52 and name    HN )  5.00  3.10  1.00 ! 2120_3D          
assign (resid  51 and name HG2# ) ( resid  52 and name    HN )  5.00  3.10  0.99 ! 2122_3D          
assign (resid  52 and name   HA ) ( resid  51 and name  HG2# )  4.45  2.60  1.50 ! 3952_2D ! calib.
assign (resid  52 and name  HB1 ) ( resid  51 and name  HG2# )  5.00  3.10  0.99 ! 3927_2D          
assign (resid  52 and name   HA ) ( resid  53 and name    HN )  3.70  1.80  0.80 !  979_3D          
assign (resid  52 and name   HN ) ( resid  53 and name    HN )  5.00  3.10  1.00 ! 1344_3D          
assign (resid  52 and name  HB1 ) ( resid  53 and name    HN )  5.00  3.10  1.00 ! 2125_3D          
assign (resid  52 and name  HB2 ) ( resid  53 and name    HN )  5.00  3.10  1.00 ! 2126_3D          
assign (resid  52 and name  HD1 ) ( resid  53 and name    HN )  5.00  3.10  1.00 ! 2495_3D          
assign (resid  52 and name  HG# ) ( resid  53 and name    HN )  5.00  3.10  0.99 ! 2127_3D          
assign (resid  52 and name   HA ) ( resid  54 and name    HN )  5.00  3.10  1.00 ! 3781_3D          
assign (resid  53 and name  HA1 ) ( resid  52 and name    HA )  5.0  3.1  1.0 ! 3914_2D          
assign (resid  53 and name  HA2 ) ( resid  52 and name    HA )  5.0  3.1  1.0 ! 3912_2D         
assign (resid  55 and name  HE3 ) ( resid  57 and name    HN )  5.00  3.10  0.99 ! 3919_2D          
assign (resid  56 and name   HA ) ( resid  27 and name  HD1# )  5.00  3.10  0.99 ! 3695_2D          
assign (resid  56 and name   HA ) ( resid  27 and name  HG12 )  5.00  3.10  1.00 ! 3694_2D          
assign (resid  56 and name   HA ) ( resid  27 and name  HG2# )  5.00  3.10  0.99 ! 3693_2D          
assign (resid  56 and name   HB ) ( resid  27 and name    HA )  5.00  3.10  1.00 ! 4113_2D          
assign (resid  56 and name   HB ) ( resid  27 and name  HD1# )  5.00  3.10  0.99 ! 3697_2D          
assign (resid  56 and name   HB ) ( resid  27 and name  HG2# )  5.00  3.10  0.99 ! 3696_2D          
assign (resid  56 and name  HG# ) ( resid  27 and name    HN )  5.00  3.10  0.99 ! 3801_3D          
assign (resid  56 and name  HG# ) ( resid  27 and name  HD1# )  4.05  2.10  1.75 ! 3700_2D ! calib.
assign (resid  56 and name   HA ) ( resid  57 and name    HN )  2.50  0.60  1.00 ! 1404_3D ! beta3
assign (resid  56 and name   HB ) ( resid  57 and name    HN )  5.00  3.10  1.00 ! 3477_3D          
assign (resid  56 and name  HG# ) ( resid  57 and name    HN )  5.00  3.10  0.99 ! 1401_3D          
assign (resid  57 and name   HN ) ( resid  27 and name    HN )  5.00  3.10  1.00 ! 3785_3D          
assign (resid  57 and name  HA# ) ( resid  33 and name  HD1# )  5.00  3.10  0.99 ! 4048_2D          
assign (resid  57 and name  HA# ) ( resid  33 and name  HD2# )  5.00  3.10  0.99 ! 4047_2D          
assign (resid  57 and name  HA1 ) ( resid  48 and name    HZ )  5.00  3.10  1.00 ! 3816_2D          
assign (resid  57 and name  HA1 ) ( resid  48 and name   HD# )  5.00  3.10  1.01 ! 3795_2D          
assign (resid  57 and name  HA1 ) ( resid  48 and name   HE# )  5.00  3.10  1.01 ! 3815_2D          
assign (resid  57 and name  HA2 ) ( resid  48 and name   HD# )  5.00  3.10  1.01 ! 3794_2D          
assign (resid  57 and name   HN ) ( resid  56 and name    HN )  4.50  2.60  1.00 ! 3482_3D ! beta3
assign (resid  57 and name   HN ) ( resid  58 and name    HN )  5.00  3.10  1.00 ! 1919_3D          
assign (resid  57 and name  HA1 ) ( resid  58 and name    HN )  5.00  3.10  1.00 ! 1915_3D          
assign (resid  57 and name  HA1 ) ( resid  58 and name   HH# )  5.00  3.10  0.99 ! 3818_2D          
assign (resid  57 and name  HA2 ) ( resid  58 and name    HN )  5.00  3.10  1.00 ! 1914_3D          
assign (resid  57 and name  HA2 ) ( resid  58 and name   HH# )  5.00  3.10  0.99 ! 3754_2D          
assign (resid  58 and name   HA ) ( resid  26 and name    HN )  6.00  4.14  1.00 ! 2043_3D ! mvt <- run 78
assign (resid  58 and name   HA ) ( resid  26 and name   HB# )  6.00  4.10  1.00 ! 3740_2D ! mvt <- run 78
assign (resid  58 and name  HB# ) ( resid  26 and name   HB# )  5.00  3.10  0.99 ! 3778_2D          
assign (resid  58 and name   HA ) ( resid  27 and name    HN )  5.51  3.60  1.25 ! 3562_3D ! mvt <- run 78 puis calib82
assign (resid  58 and name   HA ) ( resid  27 and name  HG2# )  6.00  4.10  0.99 ! 3744_2D ! mvt <- run 78
assign (resid  58 and name  HD# ) ( resid  27 and name  HG2# )  5.00  3.10  1.01 ! 3867_2D          
assign (resid  58 and name  HG# ) ( resid  27 and name    HN )  5.00  3.10  0.99 ! 3662_3D          
assign (resid  58 and name  HG# ) ( resid  27 and name  HD1# )  5.00  3.10  1.01 ! 3730_2D          
assign (resid  58 and name  HG# ) ( resid  27 and name  HG2# )  3.70  1.80  0.98 ! 3729_2D          
assign (resid  58 and name   HA ) ( resid  28 and name    HN )  7.00  4.10  1.00 ! 2041_3D ! BK+1 mvt <- run 78
assign (resid  58 and name  HG# ) ( resid  28 and name    HN )  5.00  3.10  0.99 ! 3664_3D          
assign (resid  58 and name  HG# ) ( resid  28 and name  HD21 )  5.00  3.10  0.99 ! 3686_3D          
assign (resid  58 and name  HG# ) ( resid  29 and name    HN )  5.00  3.10  0.99 ! 3670_3D          
assign (resid  58 and name  HG# ) ( resid  30 and name    HN )  5.00  3.10  0.99 ! 3907_3D          
assign (resid  58 and name  HG# ) ( resid  30 and name  HE2# )  5.00  3.10  0.99 ! 3906_3D          
assign (resid  58 and name   HA ) ( resid  33 and name  HD1# )  6.00  4.10  0.99 ! 3703_2D ! mvt <- run 78 no amb   
assign (resid  58 and name   HA ) ( resid  33 and name  HD2# )  6.00  4.10  0.99 ! 3704_2D ! mvt <- run 78 no amb
assign (resid  58 and name  HH# ) ( resid  48 and name   HD# )  5.00  3.10  1.11 ! 3812_2D          
assign (resid  58 and name   HA ) ( resid  59 and name    HN )  3.70  1.80  0.80 !  981_3D ! i/i+1
assign (resid  58 and name   HA ) ( resid  59 and name   HB1 )  5.00  3.10  1.00 ! 3743_2D ! i/i+1
assign (resid  58 and name   HN ) ( resid  59 and name    HN )  5.00  3.10  1.00 ! 3531_3D          
assign (resid  58 and name  HB# ) ( resid  59 and name    HN )  3.70  1.80  1.80 ! 3370_3D          
assign (resid  58 and name  HG# ) ( resid  59 and name    HN )  5.00  3.10  0.99 ! 4165_2D          
assign (resid  58 and name  HD# ) ( resid  59 and name    HN )  5.00  3.10  0.99 ! 2062_3D          
assign (resid  58 and name  HG# ) ( resid  61 and name    HN )  5.00  3.10  0.99 ! 3660_3D          
assign (resid  58 and name   HA ) ( resid  62 and name    HN )  6.00  4.10  1.00 ! 2042_3D ! mvt <- run 78
assign (resid  58 and name   HA ) ( resid  62 and name   HB1 )  6.00  4.10  1.00 ! 3742_2D ! mvt <- run 78
assign (resid  58 and name   HA ) ( resid  62 and name   HB2 )  6.00  4.10  1.00 ! 3741_2D ! mvt <- run 78
assign (resid  58 and name  HG# ) ( resid  62 and name    HN )  3.70  1.80  1.80 ! 3671_3D          
assign (resid  58 and name  HG# ) ( resid  63 and name    HN )  5.00  3.10  0.99 ! 3685_3D          
assign (resid  59 and name   HA ) ( resid  26 and name   HB1 )  5.00  3.10  1.00 ! 3520_2D          
assign (resid  59 and name   HA ) ( resid  26 and name   HB2 )  5.00  3.10  1.00 ! 3519_2D          
assign (resid  59 and name  HB1 ) ( resid  26 and name    HN )  5.00  3.10  1.00 ! 2253_3D          
assign (resid  59 and name  HB2 ) ( resid  26 and name    HN )  5.00  3.10  1.00 ! 2978_3D          
assign (resid  59 and name  HB2 ) ( resid  26 and name   HB1 )  5.00  3.10  1.00 ! 3525_2D          
assign (resid  59 and name  HB# ) ( resid  29 and name    HN )  5.51  3.10  1.00 ! 3977_3D ! new peak 
assign (resid  59 and name   HA ) ( resid  33 and name  HD1# )  4.70  2.80  1.02 ! 3705_2D     
assign (resid  59 and name   HA ) ( resid  33 and name  HD2# )  4.45  2.60  1.50 ! 3706_2D ! calib.
assign (resid  59 and name  HB1 ) ( resid  33 and name  HD1# )  4.45  2.60  1.50 ! 3714_2D ! calib.
assign (resid  59 and name  HB1 ) ( resid  33 and name  HD2# )  4.45  2.60  1.50 ! 3716_2D ! calib. 
assign (resid  59 and name  HB2 ) ( resid  33 and name  HD1# )  4.05  2.10  1.75 ! 3707_2D ! ancien 14/19 calib.
assign (resid  59 and name  HB2 ) ( resid  33 and name  HD2# )  4.05  2.10  1.75 ! 3708_2D ! ancien 14/19 calib.
assign (resid  59 and name   HA ) ( resid  60 and name    HN )  3.55  1.60  1.50 ! 1412_3D ! alpha3 + calib.  
assign (resid  59 and name  HB1 ) ( resid  60 and name    HN )  5.00  3.10  1.00 ! 1408_3D          
assign (resid  59 and name  HB2 ) ( resid  60 and name    HN )  5.00  3.10  1.00 ! 2975_3D          
assign (resid  59 and name   HA ) ( resid  61 and name    HN )  4.50  2.60  1.00 ! 2261_3D ! alpha 
assign (resid  59 and name  HB1 ) ( resid  61 and name    HN )  5.00  3.10  1.00 ! 2260_3D          
assign (resid  59 and name  HB2 ) ( resid  62 and name   HB2 )  5.00  3.10  1.00 ! 3522_2D          
assign (resid  59 and name   HN ) ( resid  63 and name    HN )  5.00  3.10  1.00 ! 3539_3D          
assign (resid  60 and name   HN ) ( resid  59 and name    HN )  5.00  3.10  1.00 ! 3532_3D          
assign (resid  61 and name   HN ) ( resid  59 and name    HN )  5.00  3.10  1.00 ! 2034_3D          
assign (resid  62 and name   HN ) ( resid  59 and name    HN )  5.00  3.10  1.00 ! 2033_3D          
assign (resid  62 and name  HB1 ) ( resid  59 and name    HN )  5.00  3.10  1.00 ! 2059_3D          
assign (resid  62 and name  HB2 ) ( resid  59 and name    HN )  5.00  3.10  1.00 ! 2060_3D          
assign (resid   6 and name HD## ) ( resid  23 and name  HD1# )  5.00  3.10  1.01 ! 3637_2D          
assign (resid   6 and name HD## ) ( resid  23 and name  HD2# )  5.00  3.10  1.01 ! 3638_2D          
assign (resid  21 and name   HA ) ( resid  23 and name    HN )  5.00  3.10  1.00 ! 3651_3D          
assign (resid  21 and name   HN ) ( resid  23 and name    HN )  5.00  3.10  1.00 ! 3877_3D          
assign (resid  22 and name   HA ) ( resid  23 and name    HN )  3.70  1.80  0.80 ! 1858_3D          
assign (resid  22 and name   HG ) ( resid  23 and name    HN )  5.00  3.10  1.00 ! 1862_3D          
assign (resid  22 and name   HN ) ( resid  23 and name    HN )  5.00  3.10  1.00 ! 3655_3D          
assign (resid  22 and name  HB# ) ( resid  23 and name    HN )  5.00  3.10  0.99 ! 1861_3D          
assign (resid  22 and name HD1# ) ( resid  23 and name    HN )  5.00  3.10  0.99 ! 1860_3D          
assign (resid  22 and name HD2# ) ( resid  23 and name    HN )  5.00  3.10  0.99 ! 1859_3D          
assign (resid  23 and name HD1# ) ( resid  15 and name   HD# )  5.00  3.10  1.11 ! 3594_2D          
assign (resid  23 and name HD1# ) ( resid  15 and name   HE# )  5.00  3.10  1.11 ! 3595_2D          
assign (resid  23 and name HD2# ) ( resid  15 and name   HD# )  5.00  3.10  1.11 ! 3596_2D          
assign (resid  23 and name HD2# ) ( resid  15 and name   HE# )  5.00  3.10  1.11 ! 3597_2D          
assign (resid  23 and name HD1# ) ( resid  22 and name  HD1# )  5.00  3.10  1.01 ! 3631_2D          
assign (resid  23 and name HD2# ) ( resid  22 and name  HD1# )  5.00  3.10  1.01 ! 3632_2D          
assign (resid  23 and name   HA ) ( resid  24 and name    HN )  2.50  0.60  0.50 ! 1857_3D          
assign (resid  23 and name   HG ) ( resid  24 and name    HN )  3.70  1.80  0.80 ! 1865_3D          
assign (resid  23 and name  HB1 ) ( resid  24 and name    HN )  3.70  1.80  0.98 ! 1864_3D     
assign (resid  23 and name  HB1 ) ( resid  24 and name  HD1# )  5.00  3.10  0.99 ! 3667_2D          
assign (resid  23 and name  HB2 ) ( resid  24 and name    HN )  5.00  3.10  1.00 ! 1863_3D          
assign (resid  23 and name HD## ) ( resid  48 and name   HD# )  6.00  4.10  1.11 ! 3601_2D          
assign (resid  23 and name HD## ) ( resid  48 and name   HD# )  6.00  4.10  1.11 ! 3602_2D          
assign (resid  23 and name HD1# ) ( resid  55 and name   HD1 )  5.00  3.10  1.01 ! 3588_2D          
assign (resid  23 and name HD1# ) ( resid  55 and name   HE1 )  5.00  3.10  1.01 ! 1946_3D          
assign (resid  23 and name HD1# ) ( resid  55 and name   HZ2 )  5.00  3.10  0.99 ! 3604_2D          
assign (resid  23 and name HD2# ) ( resid  55 and name   HD1 )  5.00  3.10  1.01 ! 3589_2D          
assign (resid  23 and name HD2# ) ( resid  55 and name   HE1 )  5.00  3.10  1.01 ! 1947_3D          
assign (resid  23 and name HD2# ) ( resid  55 and name   HZ2 )  5.00  3.10  0.99 ! 3605_2D          
assign (resid  24 and name HD1# ) ( resid  23 and name  HD1# )  5.00  3.10  1.01 ! 3633_2D          
assign (resid  24 and name HD1# ) ( resid  23 and name  HD2# )  5.00  3.10  1.01 ! 3634_2D       

! HBonds in helices

assign (resid  12 and name     O ) ( resid  16 and name    HN )  1.90  0.50  0.10 !
assign (resid  12 and name     O ) ( resid  16 and name     N )  2.90  0.30  0.50 !
assign (resid  37 and name     O ) ( resid  41 and name    HN )  1.90  0.50  0.10 !
assign (resid  37 and name     O ) ( resid  41 and name     N )  2.90  0.30  0.50 !
assign (resid  38 and name     O ) ( resid  42 and name    HN )  1.90  0.50  0.10 !
assign (resid  38 and name     O ) ( resid  42 and name     N )  2.90  0.30  0.50 !
assign (resid  39 and name     O ) ( resid  43 and name    HN )  1.90  0.50  0.10 !
assign (resid  39 and name     O ) ( resid  43 and name     N )  2.90  0.30  0.50 !
assign (resid  40 and name     O ) ( resid  44 and name    HN )  1.90  0.50  0.10 !
assign (resid  40 and name     O ) ( resid  44 and name     N )  2.90  0.30  0.50 !
assign (resid  59 and name     O ) ( resid  63 and name    HN )  1.90  0.50  0.50 !
assign (resid  59 and name     O ) ( resid  63 and name     N )  2.90  0.30  0.90 !


! HBonds and topology of the beta sheets

assign (resid  48 and name    O ) ( resid   6 and name   HN )  2.0  0.6  0.3 !
assign (resid  48 and name    O ) ( resid   6 and name    N )  3.0  0.6  0.4 !
assign (resid  50 and name   HN ) ( resid   4 and name    O )  2.0  0.6  0.3 !
assign (resid  50 and name    N ) ( resid   4 and name    O )  3.0  0.6  0.4 !
assign (resid  50 and name    O ) ( resid   4 and name   HN )  2.0  0.6  0.3 !
assign (resid  50 and name    O ) ( resid   4 and name    N )  3.0  0.6  0.4 !
assign (resid  56 and name    O ) ( resid  49 and name   HN )  2.0  0.6  0.3 !
assign (resid  56 and name    O ) ( resid  49 and name    N )  3.0  0.6  0.4 !
assign (resid  56 and name   HN ) ( resid  49 and name    O )  2.0  0.6  0.3 !
assign (resid  56 and name    N ) ( resid  49 and name    O )  3.0  0.6  0.4 !
assign (resid  54 and name    O ) ( resid  51 and name   HN )  2.0  0.6  0.3 !
assign (resid  54 and name    O ) ( resid  51 and name    N )  3.0  0.6  0.4 !
assign (resid  54 and name   HN ) ( resid  51 and name    O )  2.0  0.6  0.3 !
assign (resid  54 and name    N ) ( resid  51 and name    O )  3.0  0.6  0.4 !  

assign (resid  55 and name   HA ) ( resid  50 and name   HA )  2.3  0.5  0.30 ! 3924_2D
assign (resid  49 and name   HA ) ( resid   5 and name   HA )  2.3  0.5  0.30 ! 3851_2D
assign (resid   5 and name   HA ) ( resid  50 and name   HN )  3.2  1.4  0.75 ! 4054_2D          
assign (resid  49 and name   HA ) ( resid   6 and name   HN )  3.2  1.4  0.75 ! 3775_2D          
assign (resid  50 and name   HA ) ( resid  56 and name   HN )  3.2  1.4  0.75 ! 3931_2D          
assign (resid  55 and name   HA ) ( resid  51 and name   HN )  3.2  1.4  0.75 ! 3799_3D          
assign (resid  57 and name  HA# ) ( resid  49 and name   HN )  3.2  1.4  0.75 ! 3868_3D          
assign (resid   6 and name   HN ) ( resid  48 and name   HN )  3.3  1.5  0.75 ! 3854_2D          
assign (resid  56 and name   HN ) ( resid  49 and name   HN )  3.3  1.5  0.75 ! 3870_3D          
assign (resid  51 and name   HN ) ( resid  54 and name   HN )  3.3  1.5  0.75 ! 3520_3D          

! Geometry of the zinc coordination

assign (resid  26 and name SG ) (name  ZN)  2.5  0.2  0.2
assign (resid  29 and name SG ) (name  ZN)  2.5  0.2  0.2
assign (resid  59 and name SG ) (name  ZN)  2.5  0.2  0.2
assign (resid  62 and name SG ) (name  ZN)  2.5  0.2  0.2
assign (resid  26 and name SG ) ( resid 29 and name SG )  4.1  0.5  0.5
assign (resid  26 and name SG ) ( resid 59 and name SG )  4.1  0.5  0.5
assign (resid  26 and name SG ) ( resid 62 and name SG )  4.1  0.5  0.5
assign (resid  29 and name SG ) ( resid 59 and name SG )  4.1  0.5  0.5
assign (resid  29 and name SG ) ( resid 62 and name SG )  4.1  0.5  0.5
assign (resid  59 and name SG ) ( resid 62 and name SG )  4.1  0.5  0.5
 !!     Y4
 assign (resid   3 and name c )   (resid   4 and name n ) 
   (resid   4 and name ca)   (resid   4 and name c )  1.6 -140.0 30.0 2
 assign (resid   4 and name n )   (resid   4 and name ca )
   (resid   4 and name c )   (resid   5 and name n)  1.6 135.0 30.0 2
 !!     S5
 assign (resid   4 and name c )   (resid   5 and name n ) 
   (resid   5 and name ca)   (resid   5 and name c )  1.6 -140.0 30.0 2
 assign (resid   5 and name n )   (resid   5 and name ca )
   (resid   5 and name c )   (resid   6 and name n)  1.6 135.0 30.0 2
 !!     L6
 assign (resid   5 and name c )   (resid   6 and name n ) 
   (resid   6 and name ca)   (resid   6 and name c )  1.6 -140.0 30.0 2
 assign (resid   6 and name n )   (resid   6 and name ca )
   (resid   6 and name c )   (resid   7 and name n)  1.6 135.0 30.0 2
 !!    F48
 assign (resid   47 and name c )   (resid   48 and name n ) 
   (resid   48 and name ca)   (resid   48 and name c )  1.6 -130.0 40.0 2
 assign (resid   48 and name n )   (resid   48 and name ca )
   (resid   48 and name c )   (resid   49 and name n)  1.6 135.0 30.0 2
 !!    H49
 assign (resid   48 and name c )   (resid   49 and name n ) 
   (resid   49 and name ca)   (resid   49 and name c )  1.6 -140.0 30.0 2
 assign (resid   49 and name n )   (resid   49 and name ca )
   (resid   49 and name c )   (resid   50 and name n)  1.6 135.0 30.0 2
 !!    N50
 assign (resid   49 and name c )   (resid   50 and name n ) 
   (resid   50 and name ca)   (resid   50 and name c )  1.6 -140.0 30.0 2
 assign (resid   50 and name n )   (resid   50 and name ca )
   (resid   50 and name c )   (resid   51 and name n)  1.6 135.0 30.0 2
 !!    I51
 assign (resid   50 and name c )   (resid   51 and name n ) 
   (resid   51 and name ca)   (resid   51 and name c )  1.6 -140.0 30.0 2
 assign (resid   51 and name n )   (resid   51 and name ca )
   (resid   51 and name c )   (resid   52 and name n)  1.6 135.0 30.0 2
 !!    R52 TURN II
 assign (resid   51 and name c )   (resid   52 and name n ) 
   (resid   52 and name ca)   (resid   52 and name c )  1.6  -60.0 30.0 2
 assign (resid   52 and name n )   (resid   52 and name ca )
   (resid   52 and name c )   (resid   53 and name n)  1.6 120.0 30.0 2
 !!    G53 TURN II
 assign (resid   52 and name c )   (resid   53 and name n ) 
   (resid   53 and name ca)   (resid   53 and name c )  1.6   85.0 30.0 2
 assign (resid   53 and name n )   (resid   53 and name ca )
   (resid   53 and name c )   (resid   54 and name n)  1.6   0.0 30.0 2
 !!    R54
 assign (resid   53 and name c )   (resid   54 and name n ) 
   (resid   54 and name ca)   (resid   54 and name c )  1.6 -140.0 30.0 2
 assign (resid   54 and name n )   (resid   54 and name ca )
   (resid   54 and name c )   (resid   55 and name n)  1.6 135.0 30.0 2
 !!    W55
 assign (resid   54 and name c )   (resid   55 and name n ) 
   (resid   55 and name ca)   (resid   55 and name c )  1.6 -140.0 30.0 2
 assign (resid   55 and name n )   (resid   55 and name ca )
   (resid   55 and name c )   (resid   56 and name n)  1.6 135.0 30.0 2
 !!    T56
 assign (resid   55 and name c )   (resid   56 and name n ) 
   (resid   56 and name ca)   (resid   56 and name c )  1.6 -140.0 30.0 2

!!     E12 ALPHA1
 assign (resid   11 and name c )   (resid   12 and name n ) 
   (resid   12 and name ca)   (resid   12 and name c )  1.6 -60.0 30.0 2
 assign (resid   12 and name n )   (resid   12 and name ca )
   (resid   12 and name c )   (resid   13 and name n)  1.6 -50.0 30.0 2
 !!    Q13 ALPHA1
 assign (resid   12 and name c )   (resid   13 and name n ) 
   (resid   13 and name ca)   (resid   13 and name c )  1.6 -60.0 30.0 2
 assign (resid   13 and name n )   (resid   13 and name ca )
   (resid   13 and name c )   (resid   14 and name n)  1.6 -50.0 30.0 2
 !!    Q14 ALPHA1
 assign (resid   13 and name c )   (resid   14 and name n ) 
   (resid   14 and name ca)   (resid   14 and name c )  1.6 -60.0 30.0 2
 assign (resid   14 and name n )   (resid   14 and name ca )
   (resid   14 and name c )   (resid   15 and name n)  1.6 -50.0 30.0 2
 !!    Y15 ALPHA1
 assign (resid   14 and name c )   (resid   15 and name n ) 
   (resid   15 and name ca)   (resid   15 and name c )  1.6 -60.0 30.0 2
 assign (resid   15 and name n )   (resid   15 and name ca )
   (resid   15 and name c )   (resid   16 and name n)  1.6 -50.0 30.0 2
 !!    N16 ALPHA1
 assign (resid   15 and name c )   (resid   16 and name n ) 
   (resid   16 and name ca)   (resid   16 and name c )  1.6 -60.0 30.0 2
 assign (resid   16 and name n )   (resid   16 and name ca )
   (resid   16 and name c )   (resid   17 and name n)  1.6 -50.0 30.0 2
 !!    K17 ALPHA1
 assign (resid   16 and name c )   (resid   17 and name n ) 
   (resid   17 and name ca)   (resid   17 and name c )  1.6 -60.0 35.0 2
 assign (resid   17 and name n )   (resid   17 and name ca )
   (resid   17 and name c )   (resid   18 and name n)  1.6 -50.0 40.0 2
 !!    E36 ALPHA3b
 assign (resid   35 and name c )   (resid   36 and name n ) 
   (resid   36 and name ca)   (resid   36 and name c )  1.0 -70.0 45.0 2
 !!    E37 ALPHA3b
 assign (resid   36 and name c )   (resid   37 and name n ) 
   (resid   37 and name ca)   (resid   37 and name c )  1.6 -60.0 30.0 2
 assign (resid   37 and name n )   (resid   37 and name ca )
   (resid   37 and name c )   (resid   38 and name n)  1.6 -50.0 30.0 2
 !!    K38 ALPHA3b
 assign (resid   37 and name c )   (resid   38 and name n ) 
   (resid   38 and name ca)   (resid   38 and name c )  1.6 -60.0 30.0 2
 assign (resid   38 and name n )   (resid   38 and name ca )
   (resid   38 and name c )   (resid   39 and name n)  1.6 -50.0 30.0 2
 !!    Q39 ALPHA3b
 assign (resid   38 and name c )   (resid   39 and name n ) 
   (resid   39 and name ca)   (resid   39 and name c )  1.6 -60.0 30.0 2
 assign (resid   39 and name n )   (resid   39 and name ca )
   (resid   39 and name c )   (resid   40 and name n)  1.6 -50.0 30.0 2
 !!    R40 ALPHA3b
 assign (resid   39 and name c )   (resid   40 and name n ) 
   (resid   40 and name ca)   (resid   40 and name c )  1.6 -60.0 30.0 2
 assign (resid   40 and name n )   (resid   40 and name ca )
   (resid   40 and name c )   (resid   41 and name n)  1.6 -50.0 30.0 2
 !!    H41 ALPHA3b
 assign (resid   40 and name c )   (resid   41 and name n ) 
   (resid   41 and name ca)   (resid   41 and name c )  1.6 -60.0 30.0 2
 assign (resid   41 and name n )   (resid   41 and name ca )
   (resid   41 and name c )   (resid   42 and name n)  1.6 -50.0 30.0 2
 !!    L42 ALPHA3b
 assign (resid   41 and name c )   (resid   42 and name n ) 
   (resid   42 and name ca)   (resid   42 and name c )  1.6 -60.0 30.0 2
 assign (resid   42 and name n )   (resid   42 and name ca )
   (resid   42 and name c )   (resid   43 and name n)  1.6 -50.0 30.0 2

 !!    C59 ALPHA4
 assign (resid   58 and name c )   (resid   59 and name n ) 
   (resid   59 and name ca)   (resid   59 and name c )  1.6 -60.0 50.0 2
 assign (resid   59 and name n )   (resid   59 and name ca )
   (resid   59 and name c )   (resid   60 and name n)  1.6 -50.0 50.0 2
 !!    M60 ALPHA4
 assign (resid   59 and name c )   (resid   60 and name n ) 
   (resid   60 and name ca)   (resid   60 and name c )  1.6 -60.0 35.0 2
 assign (resid   60 and name n )   (resid   60 and name ca )
   (resid   60 and name c )   (resid   61 and name n)  1.6 -50.0 30.0 2
 !!    S61 ALPHA4
 assign (resid   60 and name c )   (resid   61 and name n ) 
   (resid   61 and name ca)   (resid   61 and name c )  1.6 -60.0 30.0 2
 assign (resid   61 and name n )   (resid   61 and name ca )
   (resid   61 and name c )   (resid   62 and name n)  1.6 -50.0 30.0 2
 !!    C62 ALPHA4
 assign (resid   61 and name c )   (resid   62 and name n ) 
   (resid   62 and name ca)   (resid   62 and name c )  1.6 -60.0 30.0 2
 assign (resid   62 and name n )   (resid   62 and name ca )
   (resid   62 and name c )   (resid   63 and name n)  1.6 -50.0 30.0 2

 !!    D21
 assign (resid   20 and name c )   (resid   21 and name n ) 
   (resid   21 and name ca)   (resid   21 and name c )  1.0 -102.0 45.0 2 
 !!    L22
 assign (resid   21 and name c )   (resid   22 and name n ) 
   (resid   22 and name ca)   (resid   22 and name c )  1.0  -91.0 45.0 2
 !!    I24
 assign (resid   23 and name c )   (resid   24 and name n ) 
   (resid   24 and name ca)   (resid   24 and name c )  1.0 -119.0 45.0 2
 !!    C26
 assign (resid   25 and name c )   (resid   26 and name n ) 
   (resid   26 and name ca)   (resid   26 and name c )  1.0  -62.0 45.0 2
 !!    N28
 assign (resid   27 and name c )   (resid   28 and name n ) 
   (resid   28 and name ca)   (resid   28 and name c )  1.0 -119.0 45.0 2
 !!    K31
 assign (resid   30 and name c )   (resid   31 and name n ) 
   (resid   31 and name ca)   (resid   31 and name c )  1.0  -59.0 45.0 2
 !!    S34
 assign (resid   33 and name c )   (resid   34 and name n ) 
   (resid   34 and name ca)   (resid   34 and name c )  1.0  -75.0 45.0 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    ALA   1           HT1      ALA   1  53.454  -3.275  -7.500
    2    HA   ALA   1           HA       ALA   1  55.064  -0.857  -8.069
    3   1HB   ALA   1          HB1       ALA   1  56.425  -3.012  -8.048
    4   2HB   ALA   1          HB2       ALA   1  56.399  -2.146  -9.583
    5   3HB   ALA   1          HB3       ALA   1  55.387  -3.572  -9.360
    6    H    MET   2           HN       MET   2  54.685  -2.734 -10.730
    7    HA   MET   2           HA       MET   2  52.879  -0.956 -11.979
    8   1HB   MET   2          HB2       MET   2  54.437  -2.539 -13.152
    9   2HB   MET   2          HB1       MET   2  53.339  -3.855 -12.731
   10   1HG   MET   2          HG2       MET   2  51.499  -2.613 -13.903
   11   2HG   MET   2          HG1       MET   2  52.698  -1.434 -14.438
   12   1HE   MET   2          HE1       MET   2  55.322  -3.426 -14.990
   13   2HE   MET   2          HE2       MET   2  54.720  -1.889 -15.605
   14   3HE   MET   2          HE3       MET   2  55.042  -3.211 -16.724
   15    H    SER   3           HN       SER   3  52.185  -4.077 -10.313
   16    HA   SER   3           HA       SER   3  49.429  -4.145 -11.105
   17   1HB   SER   3          HB2       SER   3  50.570  -5.049  -8.443
   18   2HB   SER   3          HB1       SER   3  49.069  -5.596  -9.184
   19    HG   SER   3           HG       SER   3  50.289  -6.514 -10.850
   20    H    TYR   4           HN       TYR   4  51.032  -2.781  -8.218
   21    HA   TYR   4           HA       TYR   4  49.146  -0.564  -8.205
   22   1HB   TYR   4          HB2       TYR   4  47.816  -2.339  -7.092
   23   2HB   TYR   4          HB1       TYR   4  49.075  -2.505  -5.875
   24    HD1  TYR   4           HD1      TYR   4  49.349  -0.866  -4.127
   25    HD2  TYR   4           HD2      TYR   4  46.556  -0.224  -7.319
   26    HE1  TYR   4           HE1      TYR   4  48.385   1.042  -2.890
   27    HE2  TYR   4           HE2      TYR   4  45.580   1.686  -6.080
   28    HH   TYR   4           HH       TYR   4  47.098   3.042  -3.303
   29    H    SER   5           HN       SER   5  49.904   1.154  -6.756
   30    HA   SER   5           HA       SER   5  52.212   0.632  -5.047
   31   1HB   SER   5          HB2       SER   5  53.832   1.925  -6.305
   32   2HB   SER   5          HB1       SER   5  53.205   0.637  -7.318
   33    HG   SER   5           HG       SER   5  53.231   2.642  -8.412
   34    H    LEU   6           HN       LEU   6  52.822   2.543  -3.781
   35    HA   LEU   6           HA       LEU   6  50.749   4.703  -3.975
   36   1HB   LEU   6          HB2       LEU   6  52.449   3.919  -1.585
   37   2HB   LEU   6          HB1       LEU   6  51.165   5.129  -1.599
   38    HG   LEU   6           HG       LEU   6  50.839   2.156  -2.098
   39   1HD1  LEU   6          HD11      LEU   6  50.783   2.209   0.181
   40   2HD1  LEU   6          HD12      LEU   6  49.158   2.849  -0.061
   41   3HD1  LEU   6          HD13      LEU   6  50.504   3.950   0.231
   42   1HD2  LEU   6          HD21      LEU   6  48.327   3.050  -1.903
   43   2HD2  LEU   6          HD22      LEU   6  49.171   3.014  -3.452
   44   3HD2  LEU   6          HD23      LEU   6  49.064   4.521  -2.541
   45    H    TYR   7           HN       TYR   7  51.725   6.341  -5.191
   46    HA   TYR   7           HA       TYR   7  54.566   6.770  -5.236
   47   1HB   TYR   7          HB2       TYR   7  53.058   7.565  -7.051
   48   2HB   TYR   7          HB1       TYR   7  52.417   8.783  -5.941
   49    HD1  TYR   7           HD1      TYR   7  55.462   7.621  -7.705
   50    HD2  TYR   7           HD2      TYR   7  53.686  10.734  -5.339
   51    HE1  TYR   7           HE1      TYR   7  57.406   9.086  -8.174
   52    HE2  TYR   7           HE2      TYR   7  55.628  12.200  -5.812
   53    HH   TYR   7           HH       TYR   7  57.769  11.692  -8.238
   54    H    GLY   8           HN       GLY   8  51.951   8.307  -3.407
   55   1HA   GLY   8          HA2       GLY   8  53.792   9.120  -1.316
   56   2HA   GLY   8          HA1       GLY   8  53.236  10.478  -2.293
   57    H    THR   9           HN       THR   9  52.322  11.115  -0.146
   58    HA   THR   9           HA       THR   9  50.317   9.740   1.248
   59    HB   THR   9           HB       THR   9  50.485  12.731   0.825
   60    HG1  THR   9           HG1      THR   9  51.632  11.183   2.889
   61   1HG2  THR   9          HG21      THR   9  49.612  12.545   3.288
   62   2HG2  THR   9          HG22      THR   9  49.089  10.937   2.788
   63   3HG2  THR   9          HG23      THR   9  48.474  12.364   1.953
   64    H    THR  10           HN       THR  10  49.859  11.845  -1.649
   65    HA   THR  10           HA       THR  10  47.042  12.010  -1.471
   66    HB   THR  10           HB       THR  10  48.638  11.682  -4.028
   67    HG1  THR  10           HG1      THR  10  49.193  13.385  -2.361
   68   1HG2  THR  10          HG21      THR  10  46.684  13.388  -4.651
   69   2HG2  THR  10          HG22      THR  10  45.862  12.536  -3.346
   70   3HG2  THR  10          HG23      THR  10  46.448  11.644  -4.749
   71    H    LEU  11           HN       LEU  11  49.006   9.431  -2.996
   72    HA   LEU  11           HA       LEU  11  46.700   7.855  -3.742
   73   1HB   LEU  11          HB2       LEU  11  49.565   6.971  -3.317
   74   2HB   LEU  11          HB1       LEU  11  48.304   6.028  -4.111
   75    HG   LEU  11           HG       LEU  11  49.450   8.678  -5.033
   76   1HD1  LEU  11          HD11      LEU  11  49.404   6.695  -7.061
   77   2HD1  LEU  11          HD12      LEU  11  50.034   5.917  -5.613
   78   3HD1  LEU  11          HD13      LEU  11  50.815   7.361  -6.246
   79   1HD2  LEU  11          HD21      LEU  11  47.196   8.905  -5.614
   80   2HD2  LEU  11          HD22      LEU  11  46.970   7.167  -5.814
   81   3HD2  LEU  11          HD23      LEU  11  47.845   8.089  -7.037
   82    H    GLU  12           HN       GLU  12  48.637   8.166  -0.873
   83    HA   GLU  12           HA       GLU  12  48.032   5.834   0.562
   84   1HB   GLU  12          HB2       GLU  12  49.527   7.677   1.375
   85   2HB   GLU  12          HB1       GLU  12  48.087   8.637   1.717
   86   1HG   GLU  12          HG2       GLU  12  47.262   6.787   3.189
   87   2HG   GLU  12          HG1       GLU  12  48.799   5.960   2.940
   88    H    GLN  13           HN       GLN  13  45.967   8.555  -0.180
   89    HA   GLN  13           HA       GLN  13  44.060   8.414   1.842
   90   1HB   GLN  13          HB2       GLN  13  43.642   8.819  -1.134
   91   2HB   GLN  13          HB1       GLN  13  42.484   9.268   0.120
   92   1HG   GLN  13          HG2       GLN  13  44.171  10.762   1.137
   93   2HG   GLN  13          HG1       GLN  13  45.311  10.331  -0.138
   94   1HE2  GLN  13          HE21      GLN  13  45.088  11.336  -2.170
   95   2HE2  GLN  13          HE22      GLN  13  43.892  12.482  -2.527
   96    H    GLN  14           HN       GLN  14  44.249   6.290  -1.074
   97    HA   GLN  14           HA       GLN  14  41.767   4.951  -0.481
   98   1HB   GLN  14          HB2       GLN  14  42.946   4.857  -2.691
   99   2HB   GLN  14          HB1       GLN  14  44.165   3.821  -1.948
  100   1HG   GLN  14          HG2       GLN  14  42.444   2.165  -1.382
  101   2HG   GLN  14          HG1       GLN  14  41.198   3.206  -2.070
  102   1HE2  GLN  14          HE21      GLN  14  41.371   0.718  -3.221
  103   2HE2  GLN  14          HE22      GLN  14  42.121   0.800  -4.741
  104    H    TYR  15           HN       TYR  15  45.160   4.113   0.270
  105    HA   TYR  15           HA       TYR  15  44.373   1.796   1.847
  106   1HB   TYR  15          HB2       TYR  15  47.035   3.172   1.455
  107   2HB   TYR  15          HB1       TYR  15  46.831   1.787   2.518
  108    HD1  TYR  15           HD1      TYR  15  44.624   1.813  -0.370
  109    HD2  TYR  15           HD2      TYR  15  48.547   0.644   0.985
  110    HE1  TYR  15           HE1      TYR  15  44.826   0.267  -2.281
  111    HE2  TYR  15           HE2      TYR  15  48.734  -0.890  -0.946
  112    HH   TYR  15           HH       TYR  15  47.473  -1.998  -2.546
  113    H    ASN  16           HN       ASN  16  44.759   5.148   2.511
  114    HA   ASN  16           HA       ASN  16  45.593   5.143   5.184
  115   1HB   ASN  16          HB2       ASN  16  45.159   7.148   3.697
  116   2HB   ASN  16          HB1       ASN  16  43.450   6.973   4.097
  117   1HD2  ASN  16          HD21      ASN  16  42.814   8.180   5.881
  118   2HD2  ASN  16          HD22      ASN  16  43.832   8.659   7.152
  119    H    LYS  17           HN       LYS  17  42.248   4.600   3.982
  120    HA   LYS  17           HA       LYS  17  41.175   4.628   6.654
  121   1HB   LYS  17          HB2       LYS  17  39.337   4.846   5.398
  122   2HB   LYS  17          HB1       LYS  17  40.103   4.161   3.978
  123   1HG   LYS  17          HG2       LYS  17  39.705   1.867   4.944
  124   2HG   LYS  17          HG1       LYS  17  38.854   2.627   6.285
  125   1HD   LYS  17          HD2       LYS  17  37.474   3.785   4.372
  126   2HD   LYS  17          HD1       LYS  17  38.061   2.439   3.397
  127   1HE   LYS  17          HE2       LYS  17  37.217   0.889   5.224
  128   2HE   LYS  17          HE1       LYS  17  36.424   2.292   5.939
  129   1HZ   LYS  17          HZ1       LYS  17  35.838   0.903   3.426
  130   2HZ   LYS  17          HZ2       LYS  17  35.536   2.572   3.512
  131   3HZ   LYS  17          HZ3       LYS  17  34.773   1.511   4.597
  132    HA   PRO  18           HA       PRO  18  41.793  -0.016   6.789
  133   1HB   PRO  18          HB2       PRO  18  41.851  -1.462   4.512
  134   2HB   PRO  18          HB1       PRO  18  40.361  -0.686   5.074
  135   1HG   PRO  18          HG2       PRO  18  42.021  -0.037   2.767
  136   2HG   PRO  18          HG1       PRO  18  40.378   0.497   3.154
  137   1HD   PRO  18          HD2       PRO  18  42.937   1.873   3.653
  138   2HD   PRO  18          HD1       PRO  18  41.299   2.539   3.642
  139    H    LEU  19           HN       LEU  19  44.272   1.730   6.135
  140    HA   LEU  19           HA       LEU  19  46.184   0.277   4.681
  141   1HB   LEU  19          HB2       LEU  19  46.596   2.555   5.609
  142   2HB   LEU  19          HB1       LEU  19  46.741   1.846   7.216
  143    HG   LEU  19           HG       LEU  19  48.562   0.334   6.218
  144   1HD1  LEU  19          HD11      LEU  19  49.707   1.385   4.221
  145   2HD1  LEU  19          HD12      LEU  19  48.279   2.398   4.020
  146   3HD1  LEU  19          HD13      LEU  19  48.148   0.646   3.861
  147   1HD2  LEU  19          HD21      LEU  19  49.281   2.060   7.682
  148   2HD2  LEU  19          HD22      LEU  19  48.864   3.325   6.525
  149   3HD2  LEU  19          HD23      LEU  19  50.253   2.278   6.225
  150    H    SER  20           HN       SER  20  45.289  -0.163   8.131
  151    HA   SER  20           HA       SER  20  47.315  -2.101   8.690
  152   1HB   SER  20          HB2       SER  20  44.498  -2.025   9.815
  153   2HB   SER  20          HB1       SER  20  45.895  -2.811  10.544
  154    HG   SER  20           HG       SER  20  45.914  -0.064   9.893
  155    H    ASP  21           HN       ASP  21  44.076  -2.383   7.305
  156    HA   ASP  21           HA       ASP  21  43.943  -5.233   7.096
  157   1HB   ASP  21          HB2       ASP  21  42.094  -3.517   6.682
  158   2HB   ASP  21          HB1       ASP  21  42.842  -3.273   5.103
  159    H    LEU  22           HN       LEU  22  45.302  -2.722   5.051
  160    HA   LEU  22           HA       LEU  22  45.994  -4.559   2.898
  161   1HB   LEU  22          HB2       LEU  22  46.970  -1.732   3.422
  162   2HB   LEU  22          HB1       LEU  22  47.053  -2.607   1.890
  163    HG   LEU  22           HG       LEU  22  44.518  -1.817   3.353
  164   1HD1  LEU  22          HD11      LEU  22  45.618   0.045   2.227
  165   2HD1  LEU  22          HD12      LEU  22  44.145  -0.398   1.370
  166   3HD1  LEU  22          HD13      LEU  22  45.718  -0.891   0.739
  167   1HD2  LEU  22          HD21      LEU  22  45.051  -3.511   0.928
  168   2HD2  LEU  22          HD22      LEU  22  43.543  -2.607   1.075
  169   3HD2  LEU  22          HD23      LEU  22  43.962  -3.826   2.280
  170    H    LEU  23           HN       LEU  23  48.092  -5.326   2.465
  171    HA   LEU  23           HA       LEU  23  49.711  -5.525   4.903
  172   1HB   LEU  23          HB2       LEU  23  49.132  -7.574   3.847
  173   2HB   LEU  23          HB1       LEU  23  49.636  -6.989   2.272
  174    HG   LEU  23           HG       LEU  23  51.137  -8.586   3.967
  175   1HD1  LEU  23          HD11      LEU  23  51.579  -8.570   1.673
  176   2HD1  LEU  23          HD12      LEU  23  53.018  -7.801   2.343
  177   3HD1  LEU  23          HD13      LEU  23  51.747  -6.813   1.618
  178   1HD2  LEU  23          HD21      LEU  23  51.586  -6.201   5.180
  179   2HD2  LEU  23          HD22      LEU  23  52.775  -6.097   3.883
  180   3HD2  LEU  23          HD23      LEU  23  52.812  -7.439   5.020
  181    H    ILE  24           HN       ILE  24  51.442  -4.309   5.201
  182    HA   ILE  24           HA       ILE  24  53.137  -3.564   2.833
  183    HB   ILE  24           HB       ILE  24  52.859  -2.001   5.407
  184   1HG1  ILE  24          HG12      ILE  24  50.794  -1.743   4.203
  185   2HG1  ILE  24          HG11      ILE  24  51.752  -0.296   3.914
  186   1HG2  ILE  24          HG21      ILE  24  54.983  -2.037   3.760
  187   2HG2  ILE  24          HG22      ILE  24  54.454  -0.560   4.563
  188   3HG2  ILE  24          HG23      ILE  24  53.989  -0.869   2.892
  189   1HD1  ILE  24          HD11      ILE  24  51.085  -2.517   2.042
  190   2HD1  ILE  24          HD12      ILE  24  52.632  -1.691   1.847
  191   3HD1  ILE  24          HD13      ILE  24  51.128  -0.778   1.756
  192    H    ARG  25           HN       ARG  25  55.225  -4.502   3.005
  193    HA   ARG  25           HA       ARG  25  56.418  -4.857   5.682
  194   1HB   ARG  25          HB2       ARG  25  54.861  -6.860   5.207
  195   2HB   ARG  25          HB1       ARG  25  56.054  -7.315   3.983
  196   1HG   ARG  25          HG2       ARG  25  57.811  -7.354   5.718
  197   2HG   ARG  25          HG1       ARG  25  56.611  -6.951   6.950
  198   1HD   ARG  25          HD2       ARG  25  56.545  -9.405   5.162
  199   2HD   ARG  25          HD1       ARG  25  56.995  -9.388   6.865
  200    HE   ARG  25           HE       ARG  25  54.374  -8.231   6.437
  201   1HH1  ARG  25          HH21      ARG  25  56.201 -11.144   6.728
  202   2HH1  ARG  25          HH22      ARG  25  54.867 -12.075   7.323
  203   1HH2  ARG  25          HH11      ARG  25  52.628  -9.430   7.217
  204   2HH2  ARG  25          HH12      ARG  25  52.845 -11.105   7.600
  205    H    CYS  26           HN       CYS  26  58.674  -5.769   5.484
  206    HA   CYS  26           HA       CYS  26  60.237  -4.559   3.468
  207   1HB   CYS  26          HB2       CYS  26  60.605  -6.541   5.600
  208   2HB   CYS  26          HB1       CYS  26  61.615  -6.874   4.207
  209    H    ILE  27           HN       ILE  27  60.784  -5.236   1.407
  210    HA   ILE  27           HA       ILE  27  59.266  -7.185   0.003
  211    HB   ILE  27           HB       ILE  27  60.771  -5.197  -0.864
  212   1HG1  ILE  27          HG12      ILE  27  60.848  -7.840  -2.339
  213   2HG1  ILE  27          HG11      ILE  27  59.420  -6.809  -2.252
  214   1HG2  ILE  27          HG21      ILE  27  62.741  -7.371  -1.425
  215   2HG2  ILE  27          HG22      ILE  27  62.807  -6.621   0.161
  216   3HG2  ILE  27          HG23      ILE  27  63.006  -5.636  -1.285
  217   1HD1  ILE  27          HD11      ILE  27  60.233  -5.489  -3.895
  218   2HD1  ILE  27          HD12      ILE  27  61.608  -6.579  -4.050
  219   3HD1  ILE  27          HD13      ILE  27  61.703  -5.198  -2.957
  220    H    ASN  28           HN       ASN  28  62.179  -7.415   1.912
  221    HA   ASN  28           HA       ASN  28  62.412 -10.287   1.062
  222   1HB   ASN  28          HB2       ASN  28  64.633 -10.049   0.581
  223   2HB   ASN  28          HB1       ASN  28  64.207  -8.356   0.384
  224   1HD2  ASN  28          HD21      ASN  28  65.634  -7.019   1.495
  225   2HD2  ASN  28          HD22      ASN  28  66.400  -7.409   2.959
  226    H    CYS  29           HN       CYS  29  63.199  -7.969   3.685
  227    HA   CYS  29           HA       CYS  29  64.019 -10.022   5.523
  228   1HB   CYS  29          HB2       CYS  29  62.734  -7.365   6.211
  229   2HB   CYS  29          HB1       CYS  29  63.773  -8.341   7.253
  230    H    GLN  30           HN       GLN  30  60.913  -8.659   4.648
  231    HA   GLN  30           HA       GLN  30  58.741  -9.265   5.254
  232   1HB   GLN  30          HB2       GLN  30  60.188 -11.897   5.395
  233   2HB   GLN  30          HB1       GLN  30  58.463 -11.774   5.759
  234   1HG   GLN  30          HG2       GLN  30  58.707 -12.259   3.403
  235   2HG   GLN  30          HG1       GLN  30  58.149 -10.601   3.565
  236   1HE2  GLN  30          HE21      GLN  30  59.760  -8.882   3.275
  237   2HE2  GLN  30          HE22      GLN  30  61.175  -9.182   2.405
  238    H    LYS  31           HN       LYS  31  60.193  -8.052   7.268
  239    HA   LYS  31           HA       LYS  31  59.253  -9.499   9.705
  240   1HB   LYS  31          HB2       LYS  31  61.495  -7.604   9.147
  241   2HB   LYS  31          HB1       LYS  31  60.670  -7.413  10.694
  242   1HG   LYS  31          HG2       LYS  31  62.550  -8.962  10.945
  243   2HG   LYS  31          HG1       LYS  31  61.028  -9.830  11.157
  244   1HD   LYS  31          HD2       LYS  31  61.130 -10.658   8.867
  245   2HD   LYS  31          HD1       LYS  31  62.579  -9.702   8.554
  246   1HE   LYS  31          HE2       LYS  31  63.940 -11.137   9.704
  247   2HE   LYS  31          HE1       LYS  31  62.701 -11.518  10.900
  248   1HZ   LYS  31          HZ1       LYS  31  63.438 -12.990   8.636
  249   2HZ   LYS  31          HZ2       LYS  31  61.839 -12.461   8.413
  250   3HZ   LYS  31          HZ3       LYS  31  62.253 -13.363   9.791
  251    HA   PRO  32           HA       PRO  32  55.977  -6.569  10.124
  252   1HB   PRO  32          HB2       PRO  32  56.488  -5.447  12.645
  253   2HB   PRO  32          HB1       PRO  32  55.577  -6.944  12.361
  254   1HG   PRO  32          HG2       PRO  32  58.439  -6.580  13.085
  255   2HG   PRO  32          HG1       PRO  32  57.280  -7.788  13.670
  256   1HD   PRO  32          HD2       PRO  32  59.131  -8.456  11.859
  257   2HD   PRO  32          HD1       PRO  32  57.466  -9.078  11.699
  258    H    LEU  33           HN       LEU  33  55.808  -4.425   9.392
  259    HA   LEU  33           HA       LEU  33  58.359  -2.862   9.394
  260   1HB   LEU  33          HB2       LEU  33  57.043  -3.510   7.249
  261   2HB   LEU  33          HB1       LEU  33  55.862  -2.323   7.780
  262    HG   LEU  33           HG       LEU  33  57.824  -0.660   7.898
  263   1HD1  LEU  33          HD11      LEU  33  59.810  -1.855   7.719
  264   2HD1  LEU  33          HD12      LEU  33  59.539  -1.528   6.004
  265   3HD1  LEU  33          HD13      LEU  33  59.099  -3.093   6.682
  266   1HD2  LEU  33          HD21      LEU  33  57.481  -1.621   5.083
  267   2HD2  LEU  33          HD22      LEU  33  57.353   0.016   5.727
  268   3HD2  LEU  33          HD23      LEU  33  56.036  -1.132   5.965
  269    H    SER  34           HN       SER  34  58.498  -1.213  10.748
  270    HA   SER  34           HA       SER  34  56.405  -0.551  12.522
  271   1HB   SER  34          HB2       SER  34  58.034   0.649  13.553
  272   2HB   SER  34          HB1       SER  34  59.125   0.057  12.305
  273    HG   SER  34           HG       SER  34  59.039   2.374  12.485
  274    HA   PRO  35           HA       PRO  35  54.167   1.756   9.484
  275   1HB   PRO  35          HB2       PRO  35  52.529   3.099  11.324
  276   2HB   PRO  35          HB1       PRO  35  52.179   1.558  10.524
  277   1HG   PRO  35          HG2       PRO  35  53.048   2.072  13.267
  278   2HG   PRO  35          HG1       PRO  35  52.186   0.690  12.586
  279   1HD   PRO  35          HD2       PRO  35  54.854   0.680  13.323
  280   2HD   PRO  35          HD1       PRO  35  54.101  -0.482  12.208
  281    H    GLU  36           HN       GLU  36  56.097   2.848  12.018
  282    HA   GLU  36           HA       GLU  36  55.854   5.708  11.558
  283   1HB   GLU  36          HB2       GLU  36  58.182   4.054  12.609
  284   2HB   GLU  36          HB1       GLU  36  58.111   5.817  12.642
  285   1HG   GLU  36          HG2       GLU  36  56.129   3.957  13.990
  286   2HG   GLU  36          HG1       GLU  36  57.408   4.854  14.810
  287    H    GLU  37           HN       GLU  37  57.779   3.068  10.255
  288    HA   GLU  37           HA       GLU  37  59.342   4.681   8.434
  289   1HB   GLU  37          HB2       GLU  37  58.590   1.739   8.432
  290   2HB   GLU  37          HB1       GLU  37  59.775   2.461   7.347
  291   1HG   GLU  37          HG2       GLU  37  61.099   3.204   9.309
  292   2HG   GLU  37          HG1       GLU  37  59.924   2.435  10.376
  293    H    LYS  38           HN       LYS  38  56.307   2.853   8.222
  294    HA   LYS  38           HA       LYS  38  55.889   3.248   5.430
  295   1HB   LYS  38          HB2       LYS  38  53.833   2.857   7.623
  296   2HB   LYS  38          HB1       LYS  38  53.532   2.682   5.899
  297   1HG   LYS  38          HG2       LYS  38  55.381   0.953   5.865
  298   2HG   LYS  38          HG1       LYS  38  55.361   1.002   7.624
  299   1HD   LYS  38          HD2       LYS  38  52.970   0.325   5.882
  300   2HD   LYS  38          HD1       LYS  38  53.996  -0.848   6.700
  301   1HE   LYS  38          HE2       LYS  38  53.305  -0.088   8.859
  302   2HE   LYS  38          HE1       LYS  38  52.492   1.320   8.176
  303   1HZ   LYS  38          HZ1       LYS  38  51.333  -0.697   6.849
  304   2HZ   LYS  38          HZ2       LYS  38  50.699   0.022   8.251
  305   3HZ   LYS  38          HZ3       LYS  38  51.601  -1.413   8.363
  306    H    GLN  39           HN       GLN  39  55.036   5.104   8.325
  307    HA   GLN  39           HA       GLN  39  53.385   6.939   6.992
  308   1HB   GLN  39          HB2       GLN  39  53.581   6.842   9.468
  309   2HB   GLN  39          HB1       GLN  39  55.184   7.582   9.339
  310   1HG   GLN  39          HG2       GLN  39  53.505   9.324   9.752
  311   2HG   GLN  39          HG1       GLN  39  54.164   9.501   8.121
  312   1HE2  GLN  39          HE21      GLN  39  52.886   8.610   6.334
  313   2HE2  GLN  39          HE22      GLN  39  51.210   8.436   6.473
  314    H    ARG  40           HN       ARG  40  56.915   7.003   7.436
  315    HA   ARG  40           HA       ARG  40  57.242   9.525   6.088
  316   1HB   ARG  40          HB2       ARG  40  59.132   7.152   6.285
  317   2HB   ARG  40          HB1       ARG  40  59.582   8.751   5.689
  318   1HG   ARG  40          HG2       ARG  40  58.890   9.724   7.878
  319   2HG   ARG  40          HG1       ARG  40  58.562   8.094   8.467
  320   1HD   ARG  40          HD2       ARG  40  60.785   8.696   9.197
  321   2HD   ARG  40          HD1       ARG  40  60.951   7.501   7.910
  322    HE   ARG  40           HE       ARG  40  61.008  10.187   6.844
  323   1HH1  ARG  40          HH21      ARG  40  62.803   7.786   8.546
  324   2HH1  ARG  40          HH22      ARG  40  64.342   8.347   7.982
  325   1HH2  ARG  40          HH11      ARG  40  63.004  10.933   6.098
  326   2HH2  ARG  40          HH12      ARG  40  64.456  10.130   6.596
  327    H    HIS  41           HN       HIS  41  57.015   6.158   5.052
  328    HA   HIS  41           HA       HIS  41  57.663   6.549   2.307
  329   1HB   HIS  41          HB2       HIS  41  55.666   4.572   3.467
  330   2HB   HIS  41          HB1       HIS  41  56.458   4.452   1.900
  331    HD1  HIS  41           HD1      HIS  41  56.820   2.256   4.057
  332    HD2  HIS  41           HD2      HIS  41  59.448   5.444   3.518
  333    HE1  HIS  41           HE1      HIS  41  59.007   1.559   5.108
  334    H    LEU  42           HN       LEU  42  54.604   6.524   4.041
  335    HA   LEU  42           HA       LEU  42  52.921   7.237   1.843
  336   1HB   LEU  42          HB2       LEU  42  52.536   7.662   4.819
  337   2HB   LEU  42          HB1       LEU  42  51.277   7.755   3.596
  338    HG   LEU  42           HG       LEU  42  52.937   5.292   4.188
  339   1HD1  LEU  42          HD11      LEU  42  50.831   6.309   5.663
  340   2HD1  LEU  42          HD12      LEU  42  51.322   4.617   5.628
  341   3HD1  LEU  42          HD13      LEU  42  50.032   5.181   4.567
  342   1HD2  LEU  42          HD21      LEU  42  50.743   4.495   2.767
  343   2HD2  LEU  42          HD22      LEU  42  52.321   4.817   2.050
  344   3HD2  LEU  42          HD23      LEU  42  51.074   6.064   2.034
  345    H    ASP  43           HN       ASP  43  54.729   9.162   4.209
  346    HA   ASP  43           HA       ASP  43  53.481  11.643   3.732
  347   1HB   ASP  43          HB2       ASP  43  56.352  11.010   4.465
  348   2HB   ASP  43          HB1       ASP  43  55.666  12.635   4.489
  349    H    LYS  44           HN       LYS  44  56.184  10.046   2.042
  350    HA   LYS  44           HA       LYS  44  55.494  11.103  -0.480
  351   1HB   LYS  44          HB2       LYS  44  56.045  13.309   0.646
  352   2HB   LYS  44          HB1       LYS  44  57.700  12.742   0.786
  353   1HG   LYS  44          HG2       LYS  44  57.617  14.053  -1.201
  354   2HG   LYS  44          HG1       LYS  44  57.628  12.370  -1.738
  355   1HD   LYS  44          HD2       LYS  44  55.291  12.376  -2.164
  356   2HD   LYS  44          HD1       LYS  44  55.051  13.870  -1.260
  357   1HE   LYS  44          HE2       LYS  44  56.831  13.782  -3.701
  358   2HE   LYS  44          HE1       LYS  44  55.086  13.981  -3.865
  359   1HZ   LYS  44          HZ1       LYS  44  56.678  15.689  -2.053
  360   2HZ   LYS  44          HZ2       LYS  44  55.127  15.975  -2.685
  361   3HZ   LYS  44          HZ3       LYS  44  56.490  16.074  -3.694
  362    H    LYS  45           HN       LYS  45  56.291   8.735  -0.416
  363    HA   LYS  45           HA       LYS  45  59.211   8.436  -0.329
  364   1HB   LYS  45          HB2       LYS  45  57.642   6.556   0.293
  365   2HB   LYS  45          HB1       LYS  45  57.243   6.423  -1.412
  366   1HG   LYS  45          HG2       LYS  45  59.641   6.114  -1.960
  367   2HG   LYS  45          HG1       LYS  45  60.027   6.211  -0.239
  368   1HD   LYS  45          HD2       LYS  45  58.532   4.264   0.178
  369   2HD   LYS  45          HD1       LYS  45  58.293   4.112  -1.563
  370   1HE   LYS  45          HE2       LYS  45  60.047   2.595  -1.099
  371   2HE   LYS  45          HE1       LYS  45  60.876   4.027  -1.707
  372   1HZ   LYS  45          HZ1       LYS  45  60.694   4.556   0.919
  373   2HZ   LYS  45          HZ2       LYS  45  62.048   3.854   0.172
  374   3HZ   LYS  45          HZ3       LYS  45  60.894   2.872   0.938
  375    H    GLN  46           HN       GLN  46  60.571   8.243  -2.088
  376    HA   GLN  46           HA       GLN  46  59.887   9.508  -4.519
  377   1HB   GLN  46          HB2       GLN  46  62.208   8.934  -3.714
  378   2HB   GLN  46          HB1       GLN  46  61.880   7.251  -4.128
  379   1HG   GLN  46          HG2       GLN  46  61.470   7.911  -6.463
  380   2HG   GLN  46          HG1       GLN  46  61.814   9.587  -6.047
  381   1HE2  GLN  46          HE21      GLN  46  63.325   8.032  -7.926
  382   2HE2  GLN  46          HE22      GLN  46  64.912   7.894  -7.337
  383    H    ARG  47           HN       ARG  47  59.778   6.078  -3.545
  384    HA   ARG  47           HA       ARG  47  57.572   5.603  -5.393
  385   1HB   ARG  47          HB2       ARG  47  60.225   4.211  -5.818
  386   2HB   ARG  47          HB1       ARG  47  58.705   3.695  -6.543
  387   1HG   ARG  47          HG2       ARG  47  58.493   5.955  -7.595
  388   2HG   ARG  47          HG1       ARG  47  60.089   6.350  -6.963
  389   1HD   ARG  47          HD2       ARG  47  60.993   4.336  -8.170
  390   2HD   ARG  47          HD1       ARG  47  59.412   4.158  -8.932
  391    HE   ARG  47           HE       ARG  47  59.983   6.723  -9.570
  392   1HH1  ARG  47          HH21      ARG  47  61.883   3.847  -9.579
  393   2HH1  ARG  47          HH22      ARG  47  62.898   4.361 -10.885
  394   1HH2  ARG  47          HH11      ARG  47  61.303   7.416 -11.270
  395   2HH2  ARG  47          HH12      ARG  47  62.570   6.383 -11.841
  396    H    PHE  48           HN       PHE  48  56.210   4.430  -4.125
  397    HA   PHE  48           HA       PHE  48  57.379   2.289  -2.375
  398   1HB   PHE  48          HB2       PHE  48  55.808   4.317  -1.496
  399   2HB   PHE  48          HB1       PHE  48  54.548   3.246  -2.085
  400    HD1  PHE  48           HD1      PHE  48  53.486   2.475  -0.155
  401    HD2  PHE  48           HD2      PHE  48  57.781   2.332  -0.354
  402    HE1  PHE  48           HE1      PHE  48  53.550   1.189   1.961
  403    HE2  PHE  48           HE2      PHE  48  57.829   1.057   1.767
  404    HZ   PHE  48           HZ       PHE  48  55.727   0.474   2.915
  405    H    HIS  49           HN       HIS  49  56.848   0.176  -3.184
  406    HA   HIS  49           HA       HIS  49  54.766   0.207  -5.339
  407   1HB   HIS  49          HB2       HIS  49  57.324  -1.359  -5.172
  408   2HB   HIS  49          HB1       HIS  49  56.084  -1.661  -6.374
  409    HD1  HIS  49           HD1      HIS  49  55.347   0.770  -7.645
  410    HD2  HIS  49           HD2      HIS  49  59.196   0.423  -6.083
  411    HE1  HIS  49           HE1      HIS  49  56.756   2.514  -8.821
  412    H    ASN  50           HN       ASN  50  53.280  -1.345  -5.513
  413    HA   ASN  50           HA       ASN  50  53.130  -3.361  -3.319
  414   1HB   ASN  50          HB2       ASN  50  51.288  -1.756  -3.273
  415   2HB   ASN  50          HB1       ASN  50  50.912  -2.122  -4.937
  416   1HD2  ASN  50          HD21      ASN  50  51.448  -3.989  -1.922
  417   2HD2  ASN  50          HD22      ASN  50  50.140  -5.039  -2.161
  418    H    ILE  51           HN       ILE  51  53.368  -5.385  -3.883
  419    HA   ILE  51           HA       ILE  51  52.771  -6.256  -6.680
  420    HB   ILE  51           HB       ILE  51  54.653  -7.547  -4.676
  421   1HG1  ILE  51          HG12      ILE  51  55.649  -5.461  -5.324
  422   2HG1  ILE  51          HG11      ILE  51  56.428  -6.713  -6.293
  423   1HG2  ILE  51          HG21      ILE  51  55.413  -8.519  -7.043
  424   2HG2  ILE  51          HG22      ILE  51  53.731  -8.174  -7.447
  425   3HG2  ILE  51          HG23      ILE  51  54.112  -9.268  -6.117
  426   1HD1  ILE  51          HD11      ILE  51  55.908  -5.122  -7.915
  427   2HD1  ILE  51          HD12      ILE  51  54.395  -4.669  -7.132
  428   3HD1  ILE  51          HD13      ILE  51  54.513  -6.193  -8.009
  429    H    ARG  52           HN       ARG  52  51.282  -8.013  -6.815
  430    HA   ARG  52           HA       ARG  52  49.478  -8.365  -4.692
  431   1HB   ARG  52          HB2       ARG  52  50.209 -10.333  -6.884
  432   2HB   ARG  52          HB1       ARG  52  48.790 -10.475  -5.845
  433   1HG   ARG  52          HG2       ARG  52  48.043  -8.222  -6.630
  434   2HG   ARG  52          HG1       ARG  52  49.406  -8.198  -7.750
  435   1HD   ARG  52          HD2       ARG  52  47.168 -10.243  -7.710
  436   2HD   ARG  52          HD1       ARG  52  47.391  -8.973  -8.912
  437    HE   ARG  52           HE       ARG  52  49.017 -11.433  -8.669
  438   1HH1  ARG  52          HH21      ARG  52  48.452  -8.326 -10.056
  439   2HH1  ARG  52          HH22      ARG  52  49.461  -8.611 -11.435
  440   1HH2  ARG  52          HH11      ARG  52  50.339 -11.822 -10.460
  441   2HH2  ARG  52          HH12      ARG  52  50.530 -10.592 -11.664
  442    H    GLY  53           HN       GLY  53  49.367  -9.753  -2.958
  443   1HA   GLY  53          HA2       GLY  53  50.106 -11.218  -1.297
  444   2HA   GLY  53          HA1       GLY  53  50.996 -12.059  -2.563
  445    H    ARG  54           HN       ARG  54  52.407  -9.289  -3.080
  446    HA   ARG  54           HA       ARG  54  54.188  -9.409  -0.679
  447   1HB   ARG  54          HB2       ARG  54  55.097 -10.777  -2.552
  448   2HB   ARG  54          HB1       ARG  54  55.129  -9.333  -3.556
  449   1HG   ARG  54          HG2       ARG  54  56.651  -8.250  -1.920
  450   2HG   ARG  54          HG1       ARG  54  56.654  -9.738  -0.968
  451   1HD   ARG  54          HD2       ARG  54  57.489 -10.965  -2.984
  452   2HD   ARG  54          HD1       ARG  54  57.614  -9.423  -3.826
  453    HE   ARG  54           HE       ARG  54  59.087  -9.085  -1.476
  454   1HH1  ARG  54          HH21      ARG  54  59.006 -11.226  -4.175
  455   2HH1  ARG  54          HH22      ARG  54  60.709 -11.539  -4.150
  456   1HH2  ARG  54          HH11      ARG  54  61.318  -9.483  -1.429
  457   2HH2  ARG  54          HH12      ARG  54  62.017 -10.554  -2.597
  458    H    TRP  55           HN       TRP  55  54.938  -7.427   0.026
  459    HA   TRP  55           HA       TRP  55  54.263  -5.045  -1.661
  460   1HB   TRP  55          HB2       TRP  55  53.520  -5.637   1.028
  461   2HB   TRP  55          HB1       TRP  55  54.700  -4.330   1.094
  462    HD1  TRP  55           HD1      TRP  55  51.160  -5.103   0.100
  463    HE1  TRP  55           HE1      TRP  55  50.025  -2.945  -0.733
  464    HE3  TRP  55           HE3      TRP  55  55.227  -2.047  -0.276
  465    HZ2  TRP  55           HZ2      TRP  55  50.764  -0.305  -1.484
  466    HZ3  TRP  55           HZ3      TRP  55  54.983   0.269  -1.065
  467    HH2  TRP  55           HH2      TRP  55  52.749   1.156  -1.679
  468    H    THR  56           HN       THR  56  55.900  -3.359  -1.810
  469    HA   THR  56           HA       THR  56  58.480  -4.043  -0.486
  470    HB   THR  56           HB       THR  56  58.387  -4.960  -2.849
  471    HG1  THR  56           HG1      THR  56  60.396  -3.144  -2.989
  472   1HG2  THR  56          HG21      THR  56  58.620  -3.377  -4.665
  473   2HG2  THR  56          HG22      THR  56  58.603  -2.025  -3.531
  474   3HG2  THR  56          HG23      THR  56  57.150  -2.999  -3.766
  475    H    GLY  57           HN       GLY  57  60.026  -2.296  -0.486
  476   1HA   GLY  57          HA2       GLY  57  59.815   0.298  -1.379
  477   2HA   GLY  57          HA1       GLY  57  58.778   0.277   0.042
  478    H    ARG  58           HN       ARG  58  59.741  -0.161   2.107
  479    HA   ARG  58           HA       ARG  58  62.276   0.947   2.551
  480   1HB   ARG  58          HB2       ARG  58  60.875   0.776   4.422
  481   2HB   ARG  58          HB1       ARG  58  60.686  -0.970   4.219
  482   1HG   ARG  58          HG2       ARG  58  62.977  -1.384   4.749
  483   2HG   ARG  58          HG1       ARG  58  63.365   0.345   4.710
  484   1HD   ARG  58          HD2       ARG  58  61.524  -1.035   6.682
  485   2HD   ARG  58          HD1       ARG  58  63.157  -0.478   7.030
  486    HE   ARG  58           HE       ARG  58  60.826   1.178   7.071
  487   1HH1  ARG  58          HH21      ARG  58  64.108   1.069   6.007
  488   2HH1  ARG  58          HH22      ARG  58  64.301   2.789   6.005
  489   1HH2  ARG  58          HH11      ARG  58  61.074   3.432   7.067
  490   2HH2  ARG  58          HH12      ARG  58  62.592   4.120   6.605
  491    H    CYS  59           HN       CYS  59  61.521  -2.464   2.052
  492    HA   CYS  59           HA       CYS  59  64.011  -3.381   2.934
  493   1HB   CYS  59          HB2       CYS  59  61.922  -4.645   2.079
  494   2HB   CYS  59          HB1       CYS  59  62.777  -4.592   0.539
  495    H    MET  60           HN       MET  60  63.115  -1.785  -0.039
  496    HA   MET  60           HA       MET  60  65.431  -2.399  -1.580
  497   1HB   MET  60          HB2       MET  60  63.436  -1.045  -2.379
  498   2HB   MET  60          HB1       MET  60  64.061   0.311  -1.440
  499   1HG   MET  60          HG2       MET  60  66.217   0.115  -2.717
  500   2HG   MET  60          HG1       MET  60  65.446  -1.100  -3.737
  501   1HE   MET  60          HE1       MET  60  62.784   0.544  -5.668
  502   2HE   MET  60          HE2       MET  60  62.307   0.222  -4.002
  503   3HE   MET  60          HE3       MET  60  63.387  -0.895  -4.834
  504    H    SER  61           HN       SER  61  64.823  -0.112   1.039
  505    HA   SER  61           HA       SER  61  67.390   1.179   0.981
  506   1HB   SER  61          HB2       SER  61  66.831   1.977   3.199
  507   2HB   SER  61          HB1       SER  61  65.362   2.013   2.229
  508    HG   SER  61           HG       SER  61  66.163   0.110   4.170
  509    H    CYS  62           HN       CYS  62  66.214  -1.864   2.316
  510    HA   CYS  62           HA       CYS  62  68.371  -2.381   4.113
  511   1HB   CYS  62          HB2       CYS  62  66.734  -4.371   2.486
  512   2HB   CYS  62          HB1       CYS  62  67.805  -4.783   3.819
  513    H    SER  63           HN       SER  63  68.084  -2.614   0.633
  514    HA   SER  63           HA       SER  63  70.953  -3.475   0.546
  515   1HB   SER  63          HB2       SER  63  70.472  -4.692  -1.515
  516   2HB   SER  63          HB1       SER  63  69.393  -5.257  -0.242
  517    HG   SER  63           HG       SER  63  67.975  -3.469  -1.158
  518    H    ARG  64           HN       ARG  64  72.193  -2.556  -1.222
  519    HA   ARG  64           HA       ARG  64  70.919  -0.141  -2.442
  520   1HB   ARG  64          HB2       ARG  64  73.742  -0.431  -1.376
  521   2HB   ARG  64          HB1       ARG  64  73.157   0.959  -2.292
  522   1HG   ARG  64          HG2       ARG  64  71.393   1.313  -0.570
  523   2HG   ARG  64          HG1       ARG  64  72.077  -0.017   0.367
  524   1HD   ARG  64          HD2       ARG  64  72.980   2.039   1.254
  525   2HD   ARG  64          HD1       ARG  64  74.272   1.225   0.375
  526    HE   ARG  64           HE       ARG  64  72.842   3.669  -0.522
  527   1HH1  ARG  64          HH21      ARG  64  75.193   1.183  -1.009
  528   2HH1  ARG  64          HH22      ARG  64  76.033   2.044  -2.253
  529   1HH2  ARG  64          HH11      ARG  64  73.932   4.797  -2.146
  530   2HH2  ARG  64          HH12      ARG  64  75.322   4.086  -2.896
  531    H    SER  65           HN       SER  65  71.623   0.381  -4.570
  532    HA   SER  65           HA       SER  65  73.113  -1.824  -5.942
  533   1HB   SER  65          HB2       SER  65  70.936  -0.038  -7.074
  534   2HB   SER  65          HB1       SER  65  71.781  -1.312  -7.949
  535    HG   SER  65           HG       SER  65  70.997  -2.684  -6.113
  536    H    SER  66           HN       SER  66  74.648  -1.168  -7.525
  537    HA   SER  66           HA       SER  66  75.291   1.755  -7.477
  538   1HB   SER  66          HB2       SER  66  77.207  -0.581  -7.735
  539   2HB   SER  66          HB1       SER  66  77.655   1.122  -7.729
  540    HG   SER  66           HG       SER  66  77.205  -0.519  -5.661
  541    H    ARG  67           HN       ARG  67  75.959   2.685  -9.460
  542    HA   ARG  67           HA       ARG  67  75.027   1.211 -11.844
  543   1HB   ARG  67          HB2       ARG  67  74.369   3.594 -11.454
  544   2HB   ARG  67          HB1       ARG  67  76.066   4.051 -11.611
  545   1HG   ARG  67          HG2       ARG  67  76.091   3.043 -13.892
  546   2HG   ARG  67          HG1       ARG  67  74.366   2.711 -13.735
  547   1HD   ARG  67          HD2       ARG  67  75.649   5.455 -13.581
  548   2HD   ARG  67          HD1       ARG  67  74.752   4.820 -14.961
  549    HE   ARG  67           HE       ARG  67  73.109   4.654 -12.625
  550   1HH1  ARG  67          HH21      ARG  67  74.546   6.886 -14.824
  551   2HH1  ARG  67          HH22      ARG  67  73.311   8.084 -14.622
  552   1HH2  ARG  67          HH11      ARG  67  71.488   6.203 -12.349
  553   2HH2  ARG  67          HH12      ARG  67  71.579   7.697 -13.220
  Start of MODEL    2
    1    H    ALA   1           HT1      ALA   1  54.122  -1.172  -7.321
    2    HA   ALA   1           HA       ALA   1  55.957  -0.727  -8.724
    3   1HB   ALA   1          HB1       ALA   1  55.894  -3.702  -9.310
    4   2HB   ALA   1          HB2       ALA   1  57.137  -2.854  -8.387
    5   3HB   ALA   1          HB3       ALA   1  56.943  -2.532 -10.110
    6    H    MET   2           HN       MET   2  55.475  -2.771 -11.165
    7    HA   MET   2           HA       MET   2  53.816  -1.004 -12.625
    8   1HB   MET   2          HB2       MET   2  55.302  -2.752 -13.628
    9   2HB   MET   2          HB1       MET   2  54.147  -3.978 -13.106
   10   1HG   MET   2          HG2       MET   2  52.376  -2.807 -14.428
   11   2HG   MET   2          HG1       MET   2  53.605  -1.691 -15.022
   12   1HE   MET   2          HE1       MET   2  52.613  -5.052 -14.289
   13   2HE   MET   2          HE2       MET   2  53.844  -6.086 -15.007
   14   3HE   MET   2          HE3       MET   2  52.367  -5.739 -15.900
   15    H    SER   3           HN       SER   3  52.927  -3.916 -10.717
   16    HA   SER   3           HA       SER   3  50.195  -3.957 -11.572
   17   1HB   SER   3          HB2       SER   3  51.242  -4.653  -8.811
   18   2HB   SER   3          HB1       SER   3  49.742  -5.216  -9.542
   19    HG   SER   3           HG       SER   3  52.381  -5.971 -10.021
   20    H    TYR   4           HN       TYR   4  51.757  -2.347  -8.770
   21    HA   TYR   4           HA       TYR   4  49.966  -0.094  -9.051
   22   1HB   TYR   4          HB2       TYR   4  48.442  -1.720  -7.978
   23   2HB   TYR   4          HB1       TYR   4  49.555  -1.856  -6.621
   24    HD1  TYR   4           HD1      TYR   4  49.678  -0.166  -4.941
   25    HD2  TYR   4           HD2      TYR   4  47.393   0.473  -8.514
   26    HE1  TYR   4           HE1      TYR   4  48.708   1.880  -3.951
   27    HE2  TYR   4           HE2      TYR   4  46.416   2.523  -7.526
   28    HH   TYR   4           HH       TYR   4  47.683   4.082  -4.913
   29    H    SER   5           HN       SER   5  50.610   1.694  -7.655
   30    HA   SER   5           HA       SER   5  52.774   1.251  -5.724
   31   1HB   SER   5          HB2       SER   5  54.448   2.557  -6.882
   32   2HB   SER   5          HB1       SER   5  53.928   1.229  -7.907
   33    HG   SER   5           HG       SER   5  53.189   2.637  -9.284
   34    H    LEU   6           HN       LEU   6  53.333   3.267  -4.546
   35    HA   LEU   6           HA       LEU   6  51.148   5.299  -4.807
   36   1HB   LEU   6          HB2       LEU   6  52.843   4.656  -2.377
   37   2HB   LEU   6          HB1       LEU   6  51.548   5.852  -2.444
   38    HG   LEU   6           HG       LEU   6  51.232   2.868  -2.893
   39   1HD1  LEU   6          HD11      LEU   6  49.590   3.952  -0.816
   40   2HD1  LEU   6          HD12      LEU   6  51.249   4.476  -0.524
   41   3HD1  LEU   6          HD13      LEU   6  50.878   2.757  -0.668
   42   1HD2  LEU   6          HD21      LEU   6  49.420   5.240  -3.218
   43   2HD2  LEU   6          HD22      LEU   6  48.741   3.688  -2.735
   44   3HD2  LEU   6          HD23      LEU   6  49.604   3.836  -4.267
   45    H    TYR   7           HN       TYR   7  51.703   7.355  -5.276
   46    HA   TYR   7           HA       TYR   7  54.457   8.323  -4.808
   47   1HB   TYR   7          HB2       TYR   7  53.121   8.579  -7.522
   48   2HB   TYR   7          HB1       TYR   7  54.738   9.120  -7.083
   49    HD1  TYR   7           HD1      TYR   7  53.299   6.851  -9.049
   50    HD2  TYR   7           HD2      TYR   7  55.900   6.886  -5.631
   51    HE1  TYR   7           HE1      TYR   7  54.188   4.637  -9.707
   52    HE2  TYR   7           HE2      TYR   7  56.783   4.659  -6.289
   53    HH   TYR   7           HH       TYR   7  55.991   3.206  -9.363
   54    H    GLY   8           HN       GLY   8  51.421   8.781  -4.069
   55   1HA   GLY   8          HA2       GLY   8  50.556  10.874  -3.201
   56   2HA   GLY   8          HA1       GLY   8  51.536  11.736  -4.402
   57    H    THR   9           HN       THR   9  50.666   9.226  -6.095
   58    HA   THR   9           HA       THR   9  48.671  10.507  -7.703
   59    HB   THR   9           HB       THR   9  49.159   7.520  -7.407
   60    HG1  THR   9           HG1      THR   9  50.301   8.869  -9.500
   61   1HG2  THR   9          HG21      THR   9  48.419   7.543  -9.815
   62   2HG2  THR   9          HG22      THR   9  47.981   9.238  -9.604
   63   3HG2  THR   9          HG23      THR   9  47.157   7.991  -8.667
   64    H    THR  10           HN       THR  10  48.628   8.302  -5.002
   65    HA   THR  10           HA       THR  10  45.680   8.694  -4.744
   66    HB   THR  10           HB       THR  10  45.509   6.534  -3.741
   67    HG1  THR  10           HG1      THR  10  48.117   7.026  -3.173
   68   1HG2  THR  10          HG21      THR  10  45.833   5.322  -5.623
   69   2HG2  THR  10          HG22      THR  10  47.568   5.643  -5.632
   70   3HG2  THR  10          HG23      THR  10  46.450   6.822  -6.317
   71    H    LEU  11           HN       LEU  11  45.023   8.852  -2.418
   72    HA   LEU  11           HA       LEU  11  47.124  10.336  -0.959
   73   1HB   LEU  11          HB2       LEU  11  44.144  10.281  -0.525
   74   2HB   LEU  11          HB1       LEU  11  45.300  11.351   0.274
   75    HG   LEU  11           HG       LEU  11  44.831  11.200  -2.719
   76   1HD1  LEU  11          HD11      LEU  11  43.225  12.427  -0.854
   77   2HD1  LEU  11          HD12      LEU  11  43.415  12.991  -2.515
   78   3HD1  LEU  11          HD13      LEU  11  44.371  13.715  -1.223
   79   1HD2  LEU  11          HD21      LEU  11  47.025  11.902  -2.584
   80   2HD2  LEU  11          HD22      LEU  11  46.824  12.568  -0.964
   81   3HD2  LEU  11          HD23      LEU  11  46.221  13.455  -2.364
   82    H    GLU  12           HN       GLU  12  47.611  10.010   1.149
   83    HA   GLU  12           HA       GLU  12  47.889   7.406   2.139
   84   1HB   GLU  12          HB2       GLU  12  49.153   9.405   2.897
   85   2HB   GLU  12          HB1       GLU  12  47.707   9.984   3.721
   86   1HG   GLU  12          HG2       GLU  12  47.687   7.887   5.073
   87   2HG   GLU  12          HG1       GLU  12  49.204   7.420   4.310
   88    H    GLN  13           HN       GLN  13  45.200   9.673   2.661
   89    HA   GLN  13           HA       GLN  13  44.079   8.441   4.928
   90   1HB   GLN  13          HB2       GLN  13  42.655   9.784   2.620
   91   2HB   GLN  13          HB1       GLN  13  41.929   9.432   4.188
   92   1HG   GLN  13          HG2       GLN  13  44.354  11.191   3.713
   93   2HG   GLN  13          HG1       GLN  13  42.733  11.756   4.119
   94   1HE2  GLN  13          HE21      GLN  13  45.604  11.443   5.583
   95   2HE2  GLN  13          HE22      GLN  13  45.125  10.966   7.140
   96    H    GLN  14           HN       GLN  14  43.588   7.473   1.478
   97    HA   GLN  14           HA       GLN  14  41.514   5.588   2.108
   98   1HB   GLN  14          HB2       GLN  14  42.099   6.347  -0.208
   99   2HB   GLN  14          HB1       GLN  14  43.563   5.368  -0.114
  100   1HG   GLN  14          HG2       GLN  14  42.212   3.348   0.239
  101   2HG   GLN  14          HG1       GLN  14  40.738   4.314   0.191
  102   1HE2  GLN  14          HE21      GLN  14  40.867   2.330  -1.704
  103   2HE2  GLN  14          HE22      GLN  14  41.206   2.974  -3.238
  104    H    TYR  15           HN       TYR  15  45.031   5.147   1.768
  105    HA   TYR  15           HA       TYR  15  45.009   2.374   2.574
  106   1HB   TYR  15          HB2       TYR  15  47.234   4.425   2.432
  107   2HB   TYR  15          HB1       TYR  15  47.486   2.712   2.756
  108    HD1  TYR  15           HD1      TYR  15  47.549   1.131   0.980
  109    HD2  TYR  15           HD2      TYR  15  46.079   5.101   0.254
  110    HE1  TYR  15           HE1      TYR  15  47.432   0.636  -1.437
  111    HE2  TYR  15           HE2      TYR  15  45.981   4.611  -2.177
  112    HH   TYR  15           HH       TYR  15  45.717   2.345  -3.578
  113    H    ASN  16           HN       ASN  16  45.314   5.440   4.253
  114    HA   ASN  16           HA       ASN  16  46.502   4.647   6.652
  115   1HB   ASN  16          HB2       ASN  16  45.894   6.981   6.014
  116   2HB   ASN  16          HB1       ASN  16  44.214   6.608   6.395
  117   1HD2  ASN  16          HD21      ASN  16  47.485   6.611   7.903
  118   2HD2  ASN  16          HD22      ASN  16  46.921   6.919   9.474
  119    H    LYS  17           HN       LYS  17  43.016   4.345   5.834
  120    HA   LYS  17           HA       LYS  17  42.385   3.424   8.492
  121   1HB   LYS  17          HB2       LYS  17  40.496   2.288   6.673
  122   2HB   LYS  17          HB1       LYS  17  40.276   3.599   7.814
  123   1HG   LYS  17          HG2       LYS  17  40.596   5.246   6.226
  124   2HG   LYS  17          HG1       LYS  17  41.637   4.248   5.224
  125   1HD   LYS  17          HD2       LYS  17  39.276   4.730   4.332
  126   2HD   LYS  17          HD1       LYS  17  39.808   3.062   4.292
  127   1HE   LYS  17          HE2       LYS  17  37.438   3.631   5.244
  128   2HE   LYS  17          HE1       LYS  17  38.434   2.436   6.067
  129   1HZ   LYS  17          HZ1       LYS  17  37.442   4.869   7.060
  130   2HZ   LYS  17          HZ2       LYS  17  39.139   4.947   7.050
  131   3HZ   LYS  17          HZ3       LYS  17  38.349   3.689   7.874
  132    HA   PRO  18           HA       PRO  18  42.681  -0.980   6.838
  133   1HB   PRO  18          HB2       PRO  18  42.999  -1.531   4.236
  134   2HB   PRO  18          HB1       PRO  18  41.440  -0.965   4.871
  135   1HG   PRO  18          HG2       PRO  18  43.545   0.536   3.398
  136   2HG   PRO  18          HG1       PRO  18  41.782   0.626   3.249
  137   1HD   PRO  18          HD2       PRO  18  43.350   2.399   4.729
  138   2HD   PRO  18          HD1       PRO  18  41.614   2.154   4.923
  139    H    LEU  19           HN       LEU  19  45.241   1.207   6.045
  140    HA   LEU  19           HA       LEU  19  47.097  -0.453   4.804
  141   1HB   LEU  19          HB2       LEU  19  47.608   1.907   5.454
  142   2HB   LEU  19          HB1       LEU  19  47.807   1.373   7.122
  143    HG   LEU  19           HG       LEU  19  49.606  -0.181   6.379
  144   1HD1  LEU  19          HD11      LEU  19  50.425   0.611   3.935
  145   2HD1  LEU  19          HD12      LEU  19  48.690   0.861   3.737
  146   3HD1  LEU  19          HD13      LEU  19  49.310  -0.737   4.157
  147   1HD2  LEU  19          HD21      LEU  19  49.772   2.770   5.796
  148   2HD2  LEU  19          HD22      LEU  19  51.166   1.737   5.482
  149   3HD2  LEU  19          HD23      LEU  19  50.508   1.865   7.118
  150    H    SER  20           HN       SER  20  46.235  -0.468   8.295
  151    HA   SER  20           HA       SER  20  48.067  -2.607   8.935
  152   1HB   SER  20          HB2       SER  20  45.320  -2.107  10.139
  153   2HB   SER  20          HB1       SER  20  46.637  -3.017  10.873
  154    HG   SER  20           HG       SER  20  46.168  -0.494  11.167
  155    H    ASP  21           HN       ASP  21  44.786  -2.398   7.678
  156    HA   ASP  21           HA       ASP  21  44.236  -5.209   7.470
  157   1HB   ASP  21          HB2       ASP  21  43.114  -2.854   5.924
  158   2HB   ASP  21          HB1       ASP  21  42.485  -4.489   5.822
  159    H    LEU  22           HN       LEU  22  45.887  -2.895   5.410
  160    HA   LEU  22           HA       LEU  22  45.980  -4.603   3.074
  161   1HB   LEU  22          HB2       LEU  22  47.786  -2.276   3.802
  162   2HB   LEU  22          HB1       LEU  22  47.561  -2.963   2.195
  163    HG   LEU  22           HG       LEU  22  45.404  -1.613   3.842
  164   1HD1  LEU  22          HD11      LEU  22  46.211  -0.576   1.209
  165   2HD1  LEU  22          HD12      LEU  22  47.410  -0.400   2.491
  166   3HD1  LEU  22          HD13      LEU  22  45.799   0.297   2.688
  167   1HD2  LEU  22          HD21      LEU  22  45.411  -3.066   1.223
  168   2HD2  LEU  22          HD22      LEU  22  44.305  -1.711   1.469
  169   3HD2  LEU  22          HD23      LEU  22  44.218  -3.126   2.523
  170    H    LEU  23           HN       LEU  23  47.726  -5.802   2.312
  171    HA   LEU  23           HA       LEU  23  49.253  -7.274   4.252
  172   1HB   LEU  23          HB2       LEU  23  50.380  -8.120   2.111
  173   2HB   LEU  23          HB1       LEU  23  48.623  -8.307   2.172
  174    HG   LEU  23           HG       LEU  23  49.427  -5.679   1.159
  175   1HD1  LEU  23          HD11      LEU  23  50.403  -6.316  -0.901
  176   2HD1  LEU  23          HD12      LEU  23  50.074  -8.026  -0.620
  177   3HD1  LEU  23          HD13      LEU  23  51.304  -7.196   0.333
  178   1HD2  LEU  23          HD21      LEU  23  47.698  -6.068  -0.398
  179   2HD2  LEU  23          HD22      LEU  23  47.160  -6.897   1.065
  180   3HD2  LEU  23          HD23      LEU  23  47.856  -7.820  -0.268
  181    H    ILE  24           HN       ILE  24  50.815  -5.951   5.393
  182    HA   ILE  24           HA       ILE  24  52.859  -4.724   3.581
  183    HB   ILE  24           HB       ILE  24  52.203  -3.781   6.386
  184   1HG1  ILE  24          HG12      ILE  24  50.287  -3.292   4.950
  185   2HG1  ILE  24          HG11      ILE  24  51.197  -1.803   5.195
  186   1HG2  ILE  24          HG21      ILE  24  54.397  -3.121   5.882
  187   2HG2  ILE  24          HG22      ILE  24  53.457  -1.739   5.319
  188   3HG2  ILE  24          HG23      ILE  24  54.049  -2.933   4.166
  189   1HD1  ILE  24          HD11      ILE  24  52.449  -2.668   2.991
  190   2HD1  ILE  24          HD12      ILE  24  50.982  -1.695   2.915
  191   3HD1  ILE  24          HD13      ILE  24  50.887  -3.445   2.731
  192    H    ARG  25           HN       ARG  25  54.794  -5.633   3.705
  193    HA   ARG  25           HA       ARG  25  55.936  -6.532   6.260
  194   1HB   ARG  25          HB2       ARG  25  55.609  -8.458   3.940
  195   2HB   ARG  25          HB1       ARG  25  56.735  -8.701   5.269
  196   1HG   ARG  25          HG2       ARG  25  54.827  -8.614   6.859
  197   2HG   ARG  25          HG1       ARG  25  53.725  -8.495   5.480
  198   1HD   ARG  25          HD2       ARG  25  54.769 -10.644   4.607
  199   2HD   ARG  25          HD1       ARG  25  55.593 -10.778   6.157
  200    HE   ARG  25           HE       ARG  25  52.842 -10.417   6.713
  201   1HH1  ARG  25          HH21      ARG  25  54.982 -12.638   5.171
  202   2HH1  ARG  25          HH22      ARG  25  54.021 -14.029   5.546
  203   1HH2  ARG  25          HH11      ARG  25  51.580 -12.222   7.216
  204   2HH2  ARG  25          HH12      ARG  25  52.095 -13.794   6.704
  205    H    CYS  26           HN       CYS  26  58.337  -7.197   5.683
  206    HA   CYS  26           HA       CYS  26  59.358  -5.148   3.853
  207   1HB   CYS  26          HB2       CYS  26  60.295  -6.750   6.074
  208   2HB   CYS  26          HB1       CYS  26  61.486  -6.581   4.812
  209    H    ILE  27           HN       ILE  27  60.867  -5.752   2.121
  210    HA   ILE  27           HA       ILE  27  60.226  -8.239   0.802
  211    HB   ILE  27           HB       ILE  27  61.231  -6.136  -0.287
  212   1HG1  ILE  27          HG12      ILE  27  62.829  -8.612  -0.879
  213   2HG1  ILE  27          HG11      ILE  27  61.091  -8.587  -1.164
  214   1HG2  ILE  27          HG21      ILE  27  63.924  -7.250   0.258
  215   2HG2  ILE  27          HG22      ILE  27  63.165  -6.410   1.609
  216   3HG2  ILE  27          HG23      ILE  27  63.418  -5.572   0.079
  217   1HD1  ILE  27          HD11      ILE  27  61.329  -7.308  -3.023
  218   2HD1  ILE  27          HD12      ILE  27  63.058  -7.639  -2.913
  219   3HD1  ILE  27          HD13      ILE  27  62.392  -6.178  -2.185
  220    H    ASN  28           HN       ASN  28  62.476  -7.181   3.214
  221    HA   ASN  28           HA       ASN  28  63.761  -9.874   3.269
  222   1HB   ASN  28          HB2       ASN  28  65.726  -8.807   3.651
  223   2HB   ASN  28          HB1       ASN  28  64.896  -7.294   3.345
  224   1HD2  ASN  28          HD21      ASN  28  65.563  -5.898   5.005
  225   2HD2  ASN  28          HD22      ASN  28  65.570  -6.286   6.653
  226    H    CYS  29           HN       CYS  29  62.900  -7.271   5.564
  227    HA   CYS  29           HA       CYS  29  62.633  -9.141   7.748
  228   1HB   CYS  29          HB2       CYS  29  61.400  -6.403   7.871
  229   2HB   CYS  29          HB1       CYS  29  62.259  -7.290   9.122
  230    H    GLN  30           HN       GLN  30  61.123 -10.413   6.220
  231    HA   GLN  30           HA       GLN  30  58.526  -9.851   5.557
  232   1HB   GLN  30          HB2       GLN  30  59.416 -12.385   6.965
  233   2HB   GLN  30          HB1       GLN  30  58.019 -12.218   5.893
  234   1HG   GLN  30          HG2       GLN  30  60.908 -11.777   5.139
  235   2HG   GLN  30          HG1       GLN  30  59.903 -13.120   4.648
  236   1HE2  GLN  30          HE21      GLN  30  60.920 -10.062   3.805
  237   2HE2  GLN  30          HE22      GLN  30  59.782  -9.711   2.617
  238    H    LYS  31           HN       LYS  31  59.785 -10.422   8.815
  239    HA   LYS  31           HA       LYS  31  57.352 -10.741  10.204
  240   1HB   LYS  31          HB2       LYS  31  60.008  -9.532  10.862
  241   2HB   LYS  31          HB1       LYS  31  58.660  -9.116  11.921
  242   1HG   LYS  31          HG2       LYS  31  59.600 -11.067  12.889
  243   2HG   LYS  31          HG1       LYS  31  58.180 -11.645  12.017
  244   1HD   LYS  31          HD2       LYS  31  59.670 -12.162  10.062
  245   2HD   LYS  31          HD1       LYS  31  61.057 -11.747  11.070
  246   1HE   LYS  31          HE2       LYS  31  60.225 -13.472  12.737
  247   2HE   LYS  31          HE1       LYS  31  59.067 -13.985  11.508
  248   1HZ   LYS  31          HZ1       LYS  31  61.026 -14.258   9.993
  249   2HZ   LYS  31          HZ2       LYS  31  60.955 -15.359  11.286
  250   3HZ   LYS  31          HZ3       LYS  31  62.026 -14.041  11.344
  251    HA   PRO  32           HA       PRO  32  54.918  -7.152   9.570
  252   1HB   PRO  32          HB2       PRO  32  55.359  -6.418  12.449
  253   2HB   PRO  32          HB1       PRO  32  53.844  -6.469  11.519
  254   1HG   PRO  32          HG2       PRO  32  54.430  -8.427  13.172
  255   2HG   PRO  32          HG1       PRO  32  53.728  -8.784  11.590
  256   1HD   PRO  32          HD2       PRO  32  56.552  -9.146  12.521
  257   2HD   PRO  32          HD1       PRO  32  55.606 -10.119  11.370
  258    H    LEU  33           HN       LEU  33  55.190  -5.010   9.003
  259    HA   LEU  33           HA       LEU  33  57.945  -3.923   9.194
  260   1HB   LEU  33          HB2       LEU  33  56.608  -4.167   7.034
  261   2HB   LEU  33          HB1       LEU  33  55.572  -2.902   7.663
  262    HG   LEU  33           HG       LEU  33  57.717  -1.510   7.944
  263   1HD1  LEU  33          HD11      LEU  33  59.647  -2.572   7.437
  264   2HD1  LEU  33          HD12      LEU  33  59.110  -2.664   5.758
  265   3HD1  LEU  33          HD13      LEU  33  58.764  -3.989   6.872
  266   1HD2  LEU  33          HD21      LEU  33  55.947  -1.186   6.180
  267   2HD2  LEU  33          HD22      LEU  33  56.859  -2.265   5.126
  268   3HD2  LEU  33          HD23      LEU  33  57.561  -0.730   5.637
  269    H    SER  34           HN       SER  34  58.459  -2.337  10.519
  270    HA   SER  34           HA       SER  34  56.630  -1.263  12.377
  271   1HB   SER  34          HB2       SER  34  58.615  -0.618  13.271
  272   2HB   SER  34          HB1       SER  34  59.447  -0.990  11.764
  273    HG   SER  34           HG       SER  34  59.518   1.068  11.381
  274    HA   PRO  35           HA       PRO  35  54.581   1.300   9.490
  275   1HB   PRO  35          HB2       PRO  35  53.653   3.198  11.321
  276   2HB   PRO  35          HB1       PRO  35  52.845   1.697  10.841
  277   1HG   PRO  35          HG2       PRO  35  54.337   2.304  13.289
  278   2HG   PRO  35          HG1       PRO  35  53.051   1.131  12.999
  279   1HD   PRO  35          HD2       PRO  35  55.709   0.479  13.280
  280   2HD   PRO  35          HD1       PRO  35  54.500  -0.533  12.459
  281    H    GLU  36           HN       GLU  36  57.251   2.202  11.349
  282    HA   GLU  36           HA       GLU  36  57.430   4.990  10.673
  283   1HB   GLU  36          HB2       GLU  36  58.917   3.809  12.322
  284   2HB   GLU  36          HB1       GLU  36  59.724   3.022  10.965
  285   1HG   GLU  36          HG2       GLU  36  60.285   5.270  10.040
  286   2HG   GLU  36          HG1       GLU  36  59.569   6.008  11.473
  287    H    GLU  37           HN       GLU  37  58.505   2.035   8.974
  288    HA   GLU  37           HA       GLU  37  59.581   3.494   6.710
  289   1HB   GLU  37          HB2       GLU  37  58.656   0.616   6.970
  290   2HB   GLU  37          HB1       GLU  37  59.494   1.273   5.562
  291   1HG   GLU  37          HG2       GLU  37  61.398   1.916   7.032
  292   2HG   GLU  37          HG1       GLU  37  60.569   1.162   8.395
  293    H    LYS  38           HN       LYS  38  56.458   2.038   7.519
  294    HA   LYS  38           HA       LYS  38  55.179   2.376   4.990
  295   1HB   LYS  38          HB2       LYS  38  53.991   2.675   7.775
  296   2HB   LYS  38          HB1       LYS  38  53.072   2.452   6.295
  297   1HG   LYS  38          HG2       LYS  38  54.189   0.254   5.977
  298   2HG   LYS  38          HG1       LYS  38  55.004   0.473   7.526
  299   1HD   LYS  38          HD2       LYS  38  52.710   0.768   8.579
  300   2HD   LYS  38          HD1       LYS  38  52.022   0.278   7.034
  301   1HE   LYS  38          HE2       LYS  38  53.874  -1.667   7.440
  302   2HE   LYS  38          HE1       LYS  38  53.353  -1.348   9.087
  303   1HZ   LYS  38          HZ1       LYS  38  51.988  -3.040   7.987
  304   2HZ   LYS  38          HZ2       LYS  38  51.533  -1.905   6.811
  305   3HZ   LYS  38          HZ3       LYS  38  51.078  -1.680   8.430
  306    H    GLN  39           HN       GLN  39  55.679   4.410   7.805
  307    HA   GLN  39           HA       GLN  39  54.156   6.615   6.933
  308   1HB   GLN  39          HB2       GLN  39  55.021   6.388   9.248
  309   2HB   GLN  39          HB1       GLN  39  56.649   6.726   8.646
  310   1HG   GLN  39          HG2       GLN  39  55.640   8.801   9.464
  311   2HG   GLN  39          HG1       GLN  39  55.812   8.880   7.705
  312   1HE2  GLN  39          HE21      GLN  39  53.894   8.411   6.407
  313   2HE2  GLN  39          HE22      GLN  39  52.343   8.636   7.041
  314    H    ARG  40           HN       ARG  40  57.570   5.841   6.328
  315    HA   ARG  40           HA       ARG  40  58.192   8.265   4.968
  316   1HB   ARG  40          HB2       ARG  40  59.869   6.515   5.621
  317   2HB   ARG  40          HB1       ARG  40  59.218   5.467   4.364
  318   1HG   ARG  40          HG2       ARG  40  61.125   6.503   3.388
  319   2HG   ARG  40          HG1       ARG  40  59.740   7.362   2.719
  320   1HD   ARG  40          HD2       ARG  40  60.041   9.149   4.414
  321   2HD   ARG  40          HD1       ARG  40  61.441   8.290   5.056
  322    HE   ARG  40           HE       ARG  40  62.175   8.576   2.470
  323   1HH1  ARG  40          HH21      ARG  40  60.672  10.732   4.702
  324   2HH1  ARG  40          HH22      ARG  40  61.365  12.154   3.997
  325   1HH2  ARG  40          HH11      ARG  40  63.092  10.418   1.542
  326   2HH2  ARG  40          HH12      ARG  40  62.735  11.976   2.208
  327    H    HIS  41           HN       HIS  41  56.731   5.227   3.919
  328    HA   HIS  41           HA       HIS  41  56.592   5.793   1.118
  329   1HB   HIS  41          HB2       HIS  41  54.574   4.227   2.757
  330   2HB   HIS  41          HB1       HIS  41  54.925   4.043   1.046
  331    HD1  HIS  41           HD1      HIS  41  55.264   1.655   2.982
  332    HD2  HIS  41           HD2      HIS  41  58.356   4.251   1.963
  333    HE1  HIS  41           HE1      HIS  41  57.420   0.411   3.434
  334    H    LEU  42           HN       LEU  42  54.239   6.265   3.726
  335    HA   LEU  42           HA       LEU  42  52.264   7.609   2.136
  336   1HB   LEU  42          HB2       LEU  42  52.784   7.801   5.123
  337   2HB   LEU  42          HB1       LEU  42  51.278   8.214   4.301
  338    HG   LEU  42           HG       LEU  42  52.552   5.464   4.406
  339   1HD1  LEU  42          HD11      LEU  42  51.301   5.084   6.232
  340   2HD1  LEU  42          HD12      LEU  42  49.851   5.653   5.406
  341   3HD1  LEU  42          HD13      LEU  42  50.892   6.797   6.251
  342   1HD2  LEU  42          HD21      LEU  42  51.432   5.219   2.441
  343   2HD2  LEU  42          HD22      LEU  42  50.430   6.641   2.718
  344   3HD2  LEU  42          HD23      LEU  42  50.012   5.108   3.478
  345    H    ASP  43           HN       ASP  43  55.074   8.646   3.934
  346    HA   ASP  43           HA       ASP  43  54.630  11.427   4.026
  347   1HB   ASP  43          HB2       ASP  43  57.212   9.866   3.780
  348   2HB   ASP  43          HB1       ASP  43  57.138  11.596   4.115
  349    H    LYS  44           HN       LYS  44  55.889   9.338   1.536
  350    HA   LYS  44           HA       LYS  44  55.270  10.034  -0.804
  351   1HB   LYS  44          HB2       LYS  44  54.882  12.408  -0.212
  352   2HB   LYS  44          HB1       LYS  44  56.619  12.621   0.034
  353   1HG   LYS  44          HG2       LYS  44  56.161  13.392  -2.175
  354   2HG   LYS  44          HG1       LYS  44  56.888  11.796  -2.374
  355   1HD   LYS  44          HD2       LYS  44  54.767  10.768  -2.752
  356   2HD   LYS  44          HD1       LYS  44  53.898  12.205  -2.218
  357   1HE   LYS  44          HE2       LYS  44  55.529  13.153  -4.263
  358   2HE   LYS  44          HE1       LYS  44  55.040  11.564  -4.846
  359   1HZ   LYS  44          HZ1       LYS  44  53.553  13.872  -4.913
  360   2HZ   LYS  44          HZ2       LYS  44  52.859  12.954  -3.663
  361   3HZ   LYS  44          HZ3       LYS  44  52.996  12.300  -5.224
  362    H    LYS  45           HN       LYS  45  56.824   8.219  -0.377
  363    HA   LYS  45           HA       LYS  45  59.666   8.698  -0.410
  364   1HB   LYS  45          HB2       LYS  45  58.594   6.496   0.197
  365   2HB   LYS  45          HB1       LYS  45  58.227   6.270  -1.516
  366   1HG   LYS  45          HG2       LYS  45  60.657   6.517  -2.042
  367   2HG   LYS  45          HG1       LYS  45  60.987   6.633  -0.310
  368   1HD   LYS  45          HD2       LYS  45  59.919   4.396   0.007
  369   2HD   LYS  45          HD1       LYS  45  59.749   4.268  -1.744
  370   1HE   LYS  45          HE2       LYS  45  62.363   4.594  -0.240
  371   2HE   LYS  45          HE1       LYS  45  61.783   3.106  -0.987
  372   1HZ   LYS  45          HZ1       LYS  45  63.324   4.966  -2.201
  373   2HZ   LYS  45          HZ2       LYS  45  61.770   5.363  -2.765
  374   3HZ   LYS  45          HZ3       LYS  45  62.389   3.799  -3.002
  375    H    GLN  46           HN       GLN  46  61.097   8.724  -2.227
  376    HA   GLN  46           HA       GLN  46  60.218  10.063  -4.525
  377   1HB   GLN  46          HB2       GLN  46  62.626   9.613  -3.839
  378   2HB   GLN  46          HB1       GLN  46  62.433   7.990  -4.499
  379   1HG   GLN  46          HG2       GLN  46  61.785   9.014  -6.689
  380   2HG   GLN  46          HG1       GLN  46  62.153  10.600  -6.009
  381   1HE2  GLN  46          HE21      GLN  46  64.334  11.225  -5.896
  382   2HE2  GLN  46          HE22      GLN  46  65.631  10.245  -6.385
  383    H    ARG  47           HN       ARG  47  60.401   6.567  -3.873
  384    HA   ARG  47           HA       ARG  47  58.264   6.161  -5.825
  385   1HB   ARG  47          HB2       ARG  47  60.984   4.896  -6.235
  386   2HB   ARG  47          HB1       ARG  47  59.516   4.384  -7.069
  387   1HG   ARG  47          HG2       ARG  47  59.245   6.715  -7.927
  388   2HG   ARG  47          HG1       ARG  47  60.793   7.128  -7.191
  389   1HD   ARG  47          HD2       ARG  47  61.849   5.285  -8.536
  390   2HD   ARG  47          HD1       ARG  47  60.308   5.089  -9.374
  391    HE   ARG  47           HE       ARG  47  60.743   7.729  -9.750
  392   1HH1  ARG  47          HH21      ARG  47  62.819   4.982  -9.948
  393   2HH1  ARG  47          HH22      ARG  47  63.847   5.678 -11.155
  394   1HH2  ARG  47          HH11      ARG  47  62.074   8.654 -11.325
  395   2HH2  ARG  47          HH12      ARG  47  63.425   7.758 -11.934
  396    H    PHE  48           HN       PHE  48  56.896   5.007  -4.546
  397    HA   PHE  48           HA       PHE  48  58.062   2.746  -2.969
  398   1HB   PHE  48          HB2       PHE  48  56.806   4.603  -1.701
  399   2HB   PHE  48          HB1       PHE  48  55.352   4.039  -2.515
  400    HD1  PHE  48           HD1      PHE  48  54.008   2.820  -1.061
  401    HD2  PHE  48           HD2      PHE  48  58.269   2.281  -0.906
  402    HE1  PHE  48           HE1      PHE  48  53.727   1.029   0.635
  403    HE2  PHE  48           HE2      PHE  48  57.983   0.493   0.778
  404    HZ   PHE  48           HZ       PHE  48  55.721  -0.141   1.549
  405    H    HIS  49           HN       HIS  49  57.415   0.681  -3.679
  406    HA   HIS  49           HA       HIS  49  55.396   0.723  -5.896
  407   1HB   HIS  49          HB2       HIS  49  57.764  -1.097  -5.450
  408   2HB   HIS  49          HB1       HIS  49  56.634  -1.240  -6.783
  409    HD1  HIS  49           HD1      HIS  49  56.369   1.274  -8.104
  410    HD2  HIS  49           HD2      HIS  49  59.947   0.386  -6.153
  411    HE1  HIS  49           HE1      HIS  49  58.119   2.823  -9.081
  412    H    ASN  50           HN       ASN  50  53.792  -0.763  -6.009
  413    HA   ASN  50           HA       ASN  50  53.484  -2.602  -3.678
  414   1HB   ASN  50          HB2       ASN  50  51.696  -0.869  -3.959
  415   2HB   ASN  50          HB1       ASN  50  51.323  -1.568  -5.513
  416   1HD2  ASN  50          HD21      ASN  50  51.688  -2.622  -2.087
  417   2HD2  ASN  50          HD22      ASN  50  50.444  -3.773  -2.161
  418    H    ILE  51           HN       ILE  51  53.585  -4.708  -4.096
  419    HA   ILE  51           HA       ILE  51  53.249  -5.665  -6.912
  420    HB   ILE  51           HB       ILE  51  54.660  -7.060  -4.614
  421   1HG1  ILE  51          HG12      ILE  51  55.982  -5.122  -5.095
  422   2HG1  ILE  51          HG11      ILE  51  56.749  -6.461  -5.948
  423   1HG2  ILE  51          HG21      ILE  51  53.646  -8.179  -6.843
  424   2HG2  ILE  51          HG22      ILE  51  55.137  -8.748  -6.093
  425   3HG2  ILE  51          HG23      ILE  51  55.207  -7.656  -7.475
  426   1HD1  ILE  51          HD11      ILE  51  55.134  -4.189  -7.060
  427   2HD1  ILE  51          HD12      ILE  51  55.184  -5.725  -7.928
  428   3HD1  ILE  51          HD13      ILE  51  56.676  -4.842  -7.614
  429    H    ARG  52           HN       ARG  52  51.601  -7.246  -7.208
  430    HA   ARG  52           HA       ARG  52  49.546  -7.345  -5.276
  431   1HB   ARG  52          HB2       ARG  52  49.278  -7.974  -7.686
  432   2HB   ARG  52          HB1       ARG  52  50.161  -9.463  -7.361
  433   1HG   ARG  52          HG2       ARG  52  47.864 -10.068  -7.235
  434   2HG   ARG  52          HG1       ARG  52  48.397  -9.938  -5.561
  435   1HD   ARG  52          HD2       ARG  52  47.468  -7.629  -5.466
  436   2HD   ARG  52          HD1       ARG  52  46.894  -7.814  -7.122
  437    HE   ARG  52           HE       ARG  52  45.203  -9.303  -6.326
  438   1HH1  ARG  52          HH21      ARG  52  47.489  -8.360  -3.924
  439   2HH1  ARG  52          HH22      ARG  52  46.555  -8.977  -2.601
  440   1HH2  ARG  52          HH11      ARG  52  43.971 -10.118  -4.615
  441   2HH2  ARG  52          HH12      ARG  52  44.563  -9.972  -2.993
  442    H    GLY  53           HN       GLY  53  49.606  -8.221  -3.317
  443   1HA   GLY  53          HA2       GLY  53  49.712 -10.068  -1.797
  444   2HA   GLY  53          HA1       GLY  53  50.765 -10.913  -2.933
  445    H    ARG  54           HN       ARG  54  52.339  -8.272  -3.183
  446    HA   ARG  54           HA       ARG  54  53.680  -8.299  -0.524
  447   1HB   ARG  54          HB2       ARG  54  54.831  -9.916  -2.027
  448   2HB   ARG  54          HB1       ARG  54  55.145  -8.602  -3.157
  449   1HG   ARG  54          HG2       ARG  54  56.361  -7.386  -1.349
  450   2HG   ARG  54          HG1       ARG  54  56.124  -8.781  -0.295
  451   1HD   ARG  54          HD2       ARG  54  57.580  -8.814  -2.956
  452   2HD   ARG  54          HD1       ARG  54  58.345  -8.859  -1.368
  453    HE   ARG  54           HE       ARG  54  56.636 -11.012  -1.278
  454   1HH1  ARG  54          HH21      ARG  54  59.000  -9.853  -3.500
  455   2HH1  ARG  54          HH22      ARG  54  59.432 -11.431  -4.071
  456   1HH2  ARG  54          HH11      ARG  54  57.181 -13.079  -2.012
  457   2HH2  ARG  54          HH12      ARG  54  58.401 -13.257  -3.229
  458    H    TRP  55           HN       TRP  55  54.691  -6.347   0.033
  459    HA   TRP  55           HA       TRP  55  54.231  -4.079  -1.865
  460   1HB   TRP  55          HB2       TRP  55  53.600  -4.410   0.908
  461   2HB   TRP  55          HB1       TRP  55  54.848  -3.167   0.787
  462    HD1  TRP  55           HD1      TRP  55  51.200  -3.618   0.423
  463    HE1  TRP  55           HE1      TRP  55  50.153  -1.565  -0.737
  464    HE3  TRP  55           HE3      TRP  55  55.423  -1.332  -1.250
  465    HZ2  TRP  55           HZ2      TRP  55  51.021   0.745  -2.215
  466    HZ3  TRP  55           HZ3      TRP  55  55.294   0.788  -2.503
  467    HH2  TRP  55           HH2      TRP  55  53.113   1.827  -3.000
  468    H    THR  56           HN       THR  56  56.072  -2.711  -2.354
  469    HA   THR  56           HA       THR  56  58.600  -3.595  -1.038
  470    HB   THR  56           HB       THR  56  59.777  -3.689  -3.123
  471    HG1  THR  56           HG1      THR  56  57.444  -2.461  -4.094
  472   1HG2  THR  56          HG21      THR  56  58.241  -5.287  -4.453
  473   2HG2  THR  56          HG22      THR  56  57.072  -5.017  -3.160
  474   3HG2  THR  56          HG23      THR  56  58.642  -5.731  -2.795
  475    H    GLY  57           HN       GLY  57  60.457  -2.046  -1.485
  476   1HA   GLY  57          HA2       GLY  57  61.284   0.206  -1.774
  477   2HA   GLY  57          HA1       GLY  57  59.612   0.790  -1.824
  478    H    ARG  58           HN       ARG  58  59.862  -1.532   0.388
  479    HA   ARG  58           HA       ARG  58  59.781   0.299   2.700
  480   1HB   ARG  58          HB2       ARG  58  58.708  -1.618   3.749
  481   2HB   ARG  58          HB1       ARG  58  57.960  -1.298   2.182
  482   1HG   ARG  58          HG2       ARG  58  59.680  -2.982   1.233
  483   2HG   ARG  58          HG1       ARG  58  59.919  -3.474   2.915
  484   1HD   ARG  58          HD2       ARG  58  57.465  -3.799   3.086
  485   2HD   ARG  58          HD1       ARG  58  57.335  -3.500   1.361
  486    HE   ARG  58           HE       ARG  58  59.310  -5.551   1.887
  487   1HH1  ARG  58          HH21      ARG  58  55.925  -4.917   1.710
  488   2HH1  ARG  58          HH22      ARG  58  55.514  -6.525   1.214
  489   1HH2  ARG  58          HH11      ARG  58  58.785  -7.654   1.249
  490   2HH2  ARG  58          HH12      ARG  58  57.134  -8.072   0.951
  491    H    CYS  59           HN       CYS  59  61.255  -2.865   1.982
  492    HA   CYS  59           HA       CYS  59  62.881  -2.768   4.291
  493   1HB   CYS  59          HB2       CYS  59  62.236  -4.769   2.758
  494   2HB   CYS  59          HB1       CYS  59  63.685  -4.310   1.860
  495    H    MET  60           HN       MET  60  63.302  -1.478   1.039
  496    HA   MET  60           HA       MET  60  66.109  -1.049   1.170
  497   1HB   MET  60          HB2       MET  60  63.969   0.733  -0.043
  498   2HB   MET  60          HB1       MET  60  65.702   0.903  -0.330
  499   1HG   MET  60          HG2       MET  60  63.987  -1.496  -1.022
  500   2HG   MET  60          HG1       MET  60  64.729  -0.365  -2.147
  501   1HE   MET  60          HE1       MET  60  68.349  -0.875  -2.110
  502   2HE   MET  60          HE2       MET  60  67.855  -0.059  -0.628
  503   3HE   MET  60          HE3       MET  60  67.000   0.270  -2.133
  504    H    SER  61           HN       SER  61  63.367   0.623   2.627
  505    HA   SER  61           HA       SER  61  64.787   2.868   3.666
  506   1HB   SER  61          HB2       SER  61  62.550   1.324   5.028
  507   2HB   SER  61          HB1       SER  61  63.021   2.989   5.355
  508    HG   SER  61           HG       SER  61  61.202   2.323   3.734
  509    H    CYS  62           HN       CYS  62  64.480  -0.507   4.661
  510    HA   CYS  62           HA       CYS  62  65.847  -0.275   7.168
  511   1HB   CYS  62          HB2       CYS  62  65.743  -2.670   5.279
  512   2HB   CYS  62          HB1       CYS  62  66.304  -2.690   6.924
  513    H    SER  63           HN       SER  63  66.914  -0.280   3.835
  514    HA   SER  63           HA       SER  63  69.747  -0.330   4.828
  515   1HB   SER  63          HB2       SER  63  69.136  -2.150   3.228
  516   2HB   SER  63          HB1       SER  63  68.732  -0.921   2.033
  517    HG   SER  63           HG       SER  63  71.194  -1.779   2.974
  518    H    ARG  64           HN       ARG  64  71.099   1.379   4.240
  519    HA   ARG  64           HA       ARG  64  69.810   3.573   2.668
  520   1HB   ARG  64          HB2       ARG  64  71.637   3.794   5.080
  521   2HB   ARG  64          HB1       ARG  64  71.098   5.161   4.102
  522   1HG   ARG  64          HG2       ARG  64  68.731   4.524   4.596
  523   2HG   ARG  64          HG1       ARG  64  69.332   3.263   5.673
  524   1HD   ARG  64          HD2       ARG  64  69.833   6.241   5.955
  525   2HD   ARG  64          HD1       ARG  64  68.777   5.262   6.973
  526    HE   ARG  64           HE       ARG  64  71.726   5.273   7.046
  527   1HH1  ARG  64          HH21      ARG  64  68.719   3.831   7.918
  528   2HH1  ARG  64          HH22      ARG  64  69.370   2.973   9.274
  529   1HH2  ARG  64          HH11      ARG  64  72.596   4.163   8.812
  530   2HH2  ARG  64          HH12      ARG  64  71.567   3.162   9.782
  531    H    SER  65           HN       SER  65  71.213   4.774   1.296
  532    HA   SER  65           HA       SER  65  73.292   3.289   0.036
  533   1HB   SER  65          HB2       SER  65  73.741   5.309  -1.224
  534   2HB   SER  65          HB1       SER  65  71.999   5.181  -1.000
  535    HG   SER  65           HG       SER  65  72.477   6.508   0.982
  536    H    SER  66           HN       SER  66  73.325   5.482   2.764
  537    HA   SER  66           HA       SER  66  76.101   6.137   2.773
  538   1HB   SER  66          HB2       SER  66  75.791   6.685   5.115
  539   2HB   SER  66          HB1       SER  66  74.341   7.175   4.245
  540    HG   SER  66           HG       SER  66  73.704   4.850   4.844
  541    H    ARG  67           HN       ARG  67  74.372   3.234   3.670
  542    HA   ARG  67           HA       ARG  67  75.974   1.849   5.390
  543   1HB   ARG  67          HB2       ARG  67  75.417  -0.200   4.202
  544   2HB   ARG  67          HB1       ARG  67  74.030   0.888   4.127
  545   1HG   ARG  67          HG2       ARG  67  74.905   1.684   1.883
  546   2HG   ARG  67          HG1       ARG  67  76.072   0.363   1.954
  547   1HD   ARG  67          HD2       ARG  67  74.174  -1.242   2.216
  548   2HD   ARG  67          HD1       ARG  67  73.051   0.102   2.002
  549    HE   ARG  67           HE       ARG  67  74.807   0.146  -0.211
  550   1HH1  ARG  67          HH21      ARG  67  72.468  -1.906   1.273
  551   2HH1  ARG  67          HH22      ARG  67  71.976  -2.644  -0.214
  552   1HH2  ARG  67          HH11      ARG  67  74.179  -0.806  -2.162
  553   2HH2  ARG  67          HH12      ARG  67  72.945  -2.021  -2.161
  Start of MODEL    3
    1    H    ALA   1           HT1      ALA   1  54.354  -5.113  -7.447
    2    HA   ALA   1           HA       ALA   1  55.686  -3.476  -6.019
    3   1HB   ALA   1          HB1       ALA   1  58.078  -3.625  -7.372
    4   2HB   ALA   1          HB2       ALA   1  57.719  -5.326  -7.077
    5   3HB   ALA   1          HB3       ALA   1  57.826  -4.199  -5.725
    6    H    MET   2           HN       MET   2  57.185  -4.179  -9.133
    7    HA   MET   2           HA       MET   2  56.429  -1.693 -10.293
    8   1HB   MET   2          HB2       MET   2  58.223  -3.236 -11.181
    9   2HB   MET   2          HB1       MET   2  56.941  -4.290 -11.782
   10   1HG   MET   2          HG2       MET   2  56.027  -2.332 -13.067
   11   2HG   MET   2          HG1       MET   2  57.448  -1.409 -12.577
   12   1HE   MET   2          HE1       MET   2  59.605  -2.251 -12.584
   13   2HE   MET   2          HE2       MET   2  60.353  -2.616 -14.136
   14   3HE   MET   2          HE3       MET   2  59.975  -3.925 -13.020
   15    H    SER   3           HN       SER   3  54.815  -4.818 -10.071
   16    HA   SER   3           HA       SER   3  52.788  -4.435 -12.006
   17   1HB   SER   3          HB2       SER   3  52.549  -5.760  -9.284
   18   2HB   SER   3          HB1       SER   3  51.462  -6.011 -10.651
   19    HG   SER   3           HG       SER   3  53.592  -7.366 -10.131
   20    H    TYR   4           HN       TYR   4  52.903  -3.373  -8.572
   21    HA   TYR   4           HA       TYR   4  50.994  -1.256  -9.352
   22   1HB   TYR   4          HB2       TYR   4  49.598  -3.130  -8.494
   23   2HB   TYR   4          HB1       TYR   4  50.453  -3.034  -6.958
   24    HD1  TYR   4           HD1      TYR   4  50.021  -1.234  -5.395
   25    HD2  TYR   4           HD2      TYR   4  48.267  -1.230  -9.309
   26    HE1  TYR   4           HE1      TYR   4  48.553   0.643  -4.732
   27    HE2  TYR   4           HE2      TYR   4  46.794   0.642  -8.652
   28    HH   TYR   4           HH       TYR   4  45.866   1.482  -6.189
   29    H    SER   5           HN       SER   5  51.464   0.683  -8.287
   30    HA   SER   5           HA       SER   5  53.381   0.506  -5.993
   31   1HB   SER   5          HB2       SER   5  53.549   2.411  -8.304
   32   2HB   SER   5          HB1       SER   5  54.653   2.363  -6.946
   33    HG   SER   5           HG       SER   5  55.702   0.954  -8.098
   34    H    LEU   6           HN       LEU   6  53.292   2.267  -4.507
   35    HA   LEU   6           HA       LEU   6  50.885   4.031  -4.807
   36   1HB   LEU   6          HB2       LEU   6  50.905   2.459  -2.832
   37   2HB   LEU   6          HB1       LEU   6  52.361   3.259  -2.266
   38    HG   LEU   6           HG       LEU   6  51.049   5.424  -2.324
   39   1HD1  LEU   6          HD11      LEU   6  48.985   5.348  -3.239
   40   2HD1  LEU   6          HD12      LEU   6  48.479   4.298  -1.916
   41   3HD1  LEU   6          HD13      LEU   6  49.095   3.596  -3.411
   42   1HD2  LEU   6          HD21      LEU   6  51.217   4.858  -0.130
   43   2HD2  LEU   6          HD22      LEU   6  50.889   3.156  -0.462
   44   3HD2  LEU   6          HD23      LEU   6  49.553   4.295  -0.284
   45    H    TYR   7           HN       TYR   7  51.533   6.094  -5.380
   46    HA   TYR   7           HA       TYR   7  54.276   6.915  -5.313
   47   1HB   TYR   7          HB2       TYR   7  52.567   7.878  -6.872
   48   2HB   TYR   7          HB1       TYR   7  51.885   8.749  -5.493
   49    HD1  TYR   7           HD1      TYR   7  54.664   8.531  -7.848
   50    HD2  TYR   7           HD2      TYR   7  53.293  10.398  -4.233
   51    HE1  TYR   7           HE1      TYR   7  56.481  10.207  -8.026
   52    HE2  TYR   7           HE2      TYR   7  55.096  12.091  -4.427
   53    HH   TYR   7           HH       TYR   7  57.735  11.772  -6.096
   54    H    GLY   8           HN       GLY   8  51.545   7.524  -3.148
   55   1HA   GLY   8          HA2       GLY   8  51.947   7.907  -0.760
   56   2HA   GLY   8          HA1       GLY   8  53.462   8.706  -1.190
   57    H    THR   9           HN       THR   9  51.071   9.473  -3.405
   58    HA   THR   9           HA       THR   9  50.846  12.238  -2.466
   59    HB   THR   9           HB       THR   9  49.485  12.603  -4.480
   60    HG1  THR   9           HG1      THR   9  49.803  10.230  -5.647
   61   1HG2  THR   9          HG21      THR   9  51.650  10.894  -5.558
   62   2HG2  THR   9          HG22      THR   9  52.128  12.172  -4.442
   63   3HG2  THR   9          HG23      THR   9  51.252  12.571  -5.914
   64    H    THR  10           HN       THR  10  48.456  13.148  -2.781
   65    HA   THR  10           HA       THR  10  46.900  12.548  -0.582
   66    HB   THR  10           HB       THR  10  45.830  13.273  -3.331
   67    HG1  THR  10           HG1      THR  10  46.154  15.406  -2.597
   68   1HG2  THR  10          HG21      THR  10  44.625  14.420  -0.898
   69   2HG2  THR  10          HG22      THR  10  44.387  12.683  -1.095
   70   3HG2  THR  10          HG23      THR  10  43.852  13.793  -2.352
   71    H    LEU  11           HN       LEU  11  46.946  10.874  -3.679
   72    HA   LEU  11           HA       LEU  11  44.664   9.236  -3.380
   73   1HB   LEU  11          HB2       LEU  11  47.318   8.554  -4.630
   74   2HB   LEU  11          HB1       LEU  11  45.796   7.720  -4.936
   75    HG   LEU  11           HG       LEU  11  46.440  10.613  -5.566
   76   1HD1  LEU  11          HD11      LEU  11  45.566   8.426  -7.457
   77   2HD1  LEU  11          HD12      LEU  11  47.267   8.693  -7.077
   78   3HD1  LEU  11          HD13      LEU  11  46.326   9.969  -7.847
   79   1HD2  LEU  11          HD21      LEU  11  43.870   9.070  -5.456
   80   2HD2  LEU  11          HD22      LEU  11  44.070  10.292  -6.712
   81   3HD2  LEU  11          HD23      LEU  11  44.184  10.748  -5.012
   82    H    GLU  12           HN       GLU  12  47.866   8.949  -1.932
   83    HA   GLU  12           HA       GLU  12  47.785   6.242  -1.060
   84   1HB   GLU  12          HB2       GLU  12  49.534   6.841   0.432
   85   2HB   GLU  12          HB1       GLU  12  49.698   8.003  -0.887
   86   1HG   GLU  12          HG2       GLU  12  48.279   9.609   0.439
   87   2HG   GLU  12          HG1       GLU  12  48.315   8.470   1.778
   88    H    GLN  13           HN       GLN  13  46.070   9.024   0.018
   89    HA   GLN  13           HA       GLN  13  45.522   8.458   2.712
   90   1HB   GLN  13          HB2       GLN  13  43.802   9.709   0.558
   91   2HB   GLN  13          HB1       GLN  13  43.499   9.851   2.294
   92   1HG   GLN  13          HG2       GLN  13  45.646  10.913   2.643
   93   2HG   GLN  13          HG1       GLN  13  46.099  10.654   0.962
   94   1HE2  GLN  13          HE21      GLN  13  46.344  13.091   0.986
   95   2HE2  GLN  13          HE22      GLN  13  44.966  14.011   0.654
   96    H    GLN  14           HN       GLN  14  43.875   7.149  -0.207
   97    HA   GLN  14           HA       GLN  14  41.725   5.888   1.196
   98   1HB   GLN  14          HB2       GLN  14  41.942   6.056  -1.318
   99   2HB   GLN  14          HB1       GLN  14  43.173   4.795  -1.240
  100   1HG   GLN  14          HG2       GLN  14  41.550   3.260  -0.200
  101   2HG   GLN  14          HG1       GLN  14  40.316   4.520  -0.258
  102   1HE2  GLN  14          HE21      GLN  14  39.691   2.205  -1.618
  103   2HE2  GLN  14          HE22      GLN  14  39.823   2.436  -3.295
  104    H    TYR  15           HN       TYR  15  45.009   4.859   0.449
  105    HA   TYR  15           HA       TYR  15  44.854   2.255   1.656
  106   1HB   TYR  15          HB2       TYR  15  47.211   4.081   1.086
  107   2HB   TYR  15          HB1       TYR  15  47.346   2.383   1.550
  108    HD1  TYR  15           HD1      TYR  15  46.858   0.619  -0.006
  109    HD2  TYR  15           HD2      TYR  15  46.119   4.706  -1.074
  110    HE1  TYR  15           HE1      TYR  15  46.451  -0.080  -2.340
  111    HE2  TYR  15           HE2      TYR  15  45.722   4.014  -3.423
  112    HH   TYR  15           HH       TYR  15  45.346   0.707  -4.318
  113    H    ASN  16           HN       ASN  16  45.573   5.479   2.858
  114    HA   ASN  16           HA       ASN  16  46.860   4.866   5.277
  115   1HB   ASN  16          HB2       ASN  16  46.517   7.150   4.332
  116   2HB   ASN  16          HB1       ASN  16  44.833   7.073   4.853
  117   1HD2  ASN  16          HD21      ASN  16  48.180   6.842   6.159
  118   2HD2  ASN  16          HD22      ASN  16  47.782   7.439   7.697
  119    H    LYS  17           HN       LYS  17  43.300   4.951   4.712
  120    HA   LYS  17           HA       LYS  17  42.655   4.605   7.470
  121   1HB   LYS  17          HB2       LYS  17  40.667   3.213   5.976
  122   2HB   LYS  17          HB1       LYS  17  40.560   4.791   6.732
  123   1HG   LYS  17          HG2       LYS  17  41.037   5.934   4.775
  124   2HG   LYS  17          HG1       LYS  17  41.932   4.597   4.070
  125   1HD   LYS  17          HD2       LYS  17  39.696   4.986   2.998
  126   2HD   LYS  17          HD1       LYS  17  39.882   3.365   3.643
  127   1HE   LYS  17          HE2       LYS  17  37.698   4.227   4.272
  128   2HE   LYS  17          HE1       LYS  17  38.698   4.082   5.714
  129   1HZ   LYS  17          HZ1       LYS  17  37.803   6.488   4.306
  130   2HZ   LYS  17          HZ2       LYS  17  39.311   6.533   5.085
  131   3HZ   LYS  17          HZ3       LYS  17  37.904   6.187   5.971
  132    HA   PRO  18           HA       PRO  18  42.648  -0.103   6.867
  133   1HB   PRO  18          HB2       PRO  18  42.993  -1.224   4.452
  134   2HB   PRO  18          HB1       PRO  18  41.444  -0.475   4.896
  135   1HG   PRO  18          HG2       PRO  18  43.663   0.603   3.222
  136   2HG   PRO  18          HG1       PRO  18  41.911   0.689   2.964
  137   1HD   PRO  18          HD2       PRO  18  43.418   2.738   4.056
  138   2HD   PRO  18          HD1       PRO  18  41.684   2.517   4.299
  139    H    LEU  19           HN       LEU  19  45.199   1.844   5.837
  140    HA   LEU  19           HA       LEU  19  47.132   0.123   4.874
  141   1HB   LEU  19          HB2       LEU  19  47.512   2.545   5.295
  142   2HB   LEU  19          HB1       LEU  19  47.657   2.193   7.018
  143    HG   LEU  19           HG       LEU  19  49.500   0.567   6.451
  144   1HD1  LEU  19          HD11      LEU  19  48.888   1.687   3.729
  145   2HD1  LEU  19          HD12      LEU  19  49.224   0.020   4.194
  146   3HD1  LEU  19          HD13      LEU  19  50.537   1.194   4.114
  147   1HD2  LEU  19          HD21      LEU  19  49.527   3.450   6.434
  148   2HD2  LEU  19          HD22      LEU  19  50.795   2.843   5.366
  149   3HD2  LEU  19          HD23      LEU  19  50.747   2.344   7.058
  150    H    SER  20           HN       SER  20  46.224   0.450   8.362
  151    HA   SER  20           HA       SER  20  48.143  -1.562   9.166
  152   1HB   SER  20          HB2       SER  20  46.840  -1.740  11.210
  153   2HB   SER  20          HB1       SER  20  46.878  -0.038  10.757
  154    HG   SER  20           HG       SER  20  44.795  -0.116  10.568
  155    H    ASP  21           HN       ASP  21  44.872  -1.523   7.931
  156    HA   ASP  21           HA       ASP  21  44.348  -4.354   8.082
  157   1HB   ASP  21          HB2       ASP  21  43.127  -2.175   6.368
  158   2HB   ASP  21          HB1       ASP  21  42.530  -3.827   6.428
  159    H    LEU  22           HN       LEU  22  45.907  -2.259   5.730
  160    HA   LEU  22           HA       LEU  22  45.955  -4.246   3.614
  161   1HB   LEU  22          HB2       LEU  22  47.679  -1.774   3.920
  162   2HB   LEU  22          HB1       LEU  22  47.420  -2.692   2.440
  163    HG   LEU  22           HG       LEU  22  45.325  -1.144   3.976
  164   1HD1  LEU  22          HD11      LEU  22  47.122  -0.507   1.809
  165   2HD1  LEU  22          HD12      LEU  22  46.027   0.554   2.697
  166   3HD1  LEU  22          HD13      LEU  22  45.438  -0.352   1.302
  167   1HD2  LEU  22          HD21      LEU  22  43.968  -1.752   1.853
  168   2HD2  LEU  22          HD22      LEU  22  44.136  -2.979   3.109
  169   3HD2  LEU  22          HD23      LEU  22  45.144  -3.054   1.662
  170    H    LEU  23           HN       LEU  23  47.736  -5.400   2.871
  171    HA   LEU  23           HA       LEU  23  49.458  -6.518   4.912
  172   1HB   LEU  23          HB2       LEU  23  50.373  -7.754   2.899
  173   2HB   LEU  23          HB1       LEU  23  48.618  -7.870   3.070
  174    HG   LEU  23           HG       LEU  23  49.334  -5.481   1.580
  175   1HD1  LEU  23          HD11      LEU  23  50.142  -6.678  -0.462
  176   2HD1  LEU  23          HD12      LEU  23  50.349  -8.126   0.523
  177   3HD1  LEU  23          HD13      LEU  23  51.306  -6.684   0.864
  178   1HD2  LEU  23          HD21      LEU  23  47.722  -6.318   0.014
  179   2HD2  LEU  23          HD22      LEU  23  47.124  -6.662   1.638
  180   3HD2  LEU  23          HD23      LEU  23  47.848  -7.951   0.675
  181    H    ILE  24           HN       ILE  24  51.190  -5.153   5.637
  182    HA   ILE  24           HA       ILE  24  52.860  -3.992   3.428
  183    HB   ILE  24           HB       ILE  24  52.670  -2.948   6.261
  184   1HG1  ILE  24          HG12      ILE  24  50.510  -2.555   5.254
  185   2HG1  ILE  24          HG11      ILE  24  51.403  -1.040   5.161
  186   1HG2  ILE  24          HG21      ILE  24  54.391  -1.636   5.657
  187   2HG2  ILE  24          HG22      ILE  24  53.498  -1.057   4.255
  188   3HG2  ILE  24          HG23      ILE  24  54.489  -2.509   4.129
  189   1HD1  ILE  24          HD11      ILE  24  52.160  -2.035   2.812
  190   2HD1  ILE  24          HD12      ILE  24  50.635  -1.170   2.990
  191   3HD1  ILE  24          HD13      ILE  24  50.649  -2.930   2.976
  192    H    ARG  25           HN       ARG  25  54.857  -4.911   3.279
  193    HA   ARG  25           HA       ARG  25  56.326  -5.664   5.706
  194   1HB   ARG  25          HB2       ARG  25  55.538  -7.747   3.660
  195   2HB   ARG  25          HB1       ARG  25  56.821  -7.978   4.848
  196   1HG   ARG  25          HG2       ARG  25  55.186  -7.546   6.671
  197   2HG   ARG  25          HG1       ARG  25  53.906  -7.399   5.461
  198   1HD   ARG  25          HD2       ARG  25  54.502  -9.728   4.678
  199   2HD   ARG  25          HD1       ARG  25  55.583  -9.848   6.066
  200    HE   ARG  25           HE       ARG  25  53.037  -9.072   7.041
  201   1HH1  ARG  25          HH21      ARG  25  54.603 -11.683   5.423
  202   2HH1  ARG  25          HH22      ARG  25  53.557 -12.895   6.085
  203   1HH2  ARG  25          HH11      ARG  25  51.660 -10.639   7.912
  204   2HH2  ARG  25          HH12      ARG  25  51.890 -12.305   7.493
  205    H    CYS  26           HN       CYS  26  58.540  -6.491   5.138
  206    HA   CYS  26           HA       CYS  26  59.905  -4.734   3.326
  207   1HB   CYS  26          HB2       CYS  26  60.519  -6.880   5.211
  208   2HB   CYS  26          HB1       CYS  26  61.527  -6.970   3.776
  209    H    ILE  27           HN       ILE  27  60.781  -5.249   1.273
  210    HA   ILE  27           HA       ILE  27  59.341  -7.096  -0.377
  211    HB   ILE  27           HB       ILE  27  60.833  -5.002  -1.014
  212   1HG1  ILE  27          HG12      ILE  27  61.205  -7.421  -2.769
  213   2HG1  ILE  27          HG11      ILE  27  59.601  -6.741  -2.528
  214   1HG2  ILE  27          HG21      ILE  27  63.097  -5.425  -1.434
  215   2HG2  ILE  27          HG22      ILE  27  62.843  -7.160  -1.575
  216   3HG2  ILE  27          HG23      ILE  27  62.842  -6.406   0.012
  217   1HD1  ILE  27          HD11      ILE  27  61.420  -4.582  -3.037
  218   2HD1  ILE  27          HD12      ILE  27  60.054  -5.113  -4.020
  219   3HD1  ILE  27          HD13      ILE  27  61.650  -5.812  -4.282
  220    H    ASN  28           HN       ASN  28  62.164  -7.356   1.677
  221    HA   ASN  28           HA       ASN  28  62.556 -10.165   0.689
  222   1HB   ASN  28          HB2       ASN  28  64.762  -9.751   0.323
  223   2HB   ASN  28          HB1       ASN  28  64.319  -8.055   0.392
  224   1HD2  ASN  28          HD21      ASN  28  65.646  -6.916   1.799
  225   2HD2  ASN  28          HD22      ASN  28  66.334  -7.540   3.220
  226    H    CYS  29           HN       CYS  29  63.061  -7.999   3.503
  227    HA   CYS  29           HA       CYS  29  63.824 -10.116   5.270
  228   1HB   CYS  29          HB2       CYS  29  62.439  -7.519   5.986
  229   2HB   CYS  29          HB1       CYS  29  63.418  -8.520   7.060
  230    H    GLN  30           HN       GLN  30  60.691  -8.869   4.279
  231    HA   GLN  30           HA       GLN  30  58.518  -9.665   4.696
  232   1HB   GLN  30          HB2       GLN  30  60.103 -12.197   5.138
  233   2HB   GLN  30          HB1       GLN  30  58.344 -12.149   5.208
  234   1HG   GLN  30          HG2       GLN  30  59.458 -12.775   2.964
  235   2HG   GLN  30          HG1       GLN  30  58.143 -11.611   2.928
  236   1HE2  GLN  30          HE21      GLN  30  59.088  -9.217   3.290
  237   2HE2  GLN  30          HE22      GLN  30  60.442  -8.851   2.349
  238    H    LYS  31           HN       LYS  31  59.786  -8.343   6.862
  239    HA   LYS  31           HA       LYS  31  58.656  -9.858   9.178
  240   1HB   LYS  31          HB2       LYS  31  60.850  -7.814   8.922
  241   2HB   LYS  31          HB1       LYS  31  59.954  -7.926  10.438
  242   1HG   LYS  31          HG2       LYS  31  60.481 -10.349  10.552
  243   2HG   LYS  31          HG1       LYS  31  61.423 -10.200   9.067
  244   1HD   LYS  31          HD2       LYS  31  63.133  -9.051  10.102
  245   2HD   LYS  31          HD1       LYS  31  62.061  -8.320  11.296
  246   1HE   LYS  31          HE2       LYS  31  61.877 -10.435  12.491
  247   2HE   LYS  31          HE1       LYS  31  62.835 -11.251  11.254
  248   1HZ   LYS  31          HZ1       LYS  31  63.760  -9.929  13.511
  249   2HZ   LYS  31          HZ2       LYS  31  64.214  -8.973  12.183
  250   3HZ   LYS  31          HZ3       LYS  31  64.682 -10.604  12.258
  251    HA   PRO  32           HA       PRO  32  55.315  -6.952   9.370
  252   1HB   PRO  32          HB2       PRO  32  56.161  -6.301  12.170
  253   2HB   PRO  32          HB1       PRO  32  54.560  -6.771  11.560
  254   1HG   PRO  32          HG2       PRO  32  56.052  -8.498  12.886
  255   2HG   PRO  32          HG1       PRO  32  55.096  -9.014  11.496
  256   1HD   PRO  32          HD2       PRO  32  58.054  -8.581  11.691
  257   2HD   PRO  32          HD1       PRO  32  57.145  -9.773  10.732
  258    H    LEU  33           HN       LEU  33  55.195  -4.734   8.849
  259    HA   LEU  33           HA       LEU  33  57.785  -3.269   9.071
  260   1HB   LEU  33          HB2       LEU  33  56.515  -3.750   6.849
  261   2HB   LEU  33          HB1       LEU  33  55.395  -2.512   7.398
  262    HG   LEU  33           HG       LEU  33  57.365  -0.941   7.627
  263   1HD1  LEU  33          HD11      LEU  33  59.339  -2.116   7.686
  264   2HD1  LEU  33          HD12      LEU  33  59.225  -2.014   5.925
  265   3HD1  LEU  33          HD13      LEU  33  58.683  -3.465   6.762
  266   1HD2  LEU  33          HD21      LEU  33  56.400  -2.154   5.069
  267   2HD2  LEU  33          HD22      LEU  33  57.789  -1.084   4.975
  268   3HD2  LEU  33          HD23      LEU  33  56.261  -0.486   5.629
  269    H    SER  34           HN       SER  34  58.009  -1.728  10.459
  270    HA   SER  34           HA       SER  34  56.054  -1.082  12.344
  271   1HB   SER  34          HB2       SER  34  58.770  -0.423  11.880
  272   2HB   SER  34          HB1       SER  34  57.908   1.108  11.995
  273    HG   SER  34           HG       SER  34  57.924  -1.039  13.853
  274    HA   PRO  35           HA       PRO  35  53.587   1.434   9.743
  275   1HB   PRO  35          HB2       PRO  35  52.274   2.822  11.755
  276   2HB   PRO  35          HB1       PRO  35  51.808   1.243  11.098
  277   1HG   PRO  35          HG2       PRO  35  53.188   1.884  13.616
  278   2HG   PRO  35          HG1       PRO  35  52.115   0.539  13.213
  279   1HD   PRO  35          HD2       PRO  35  54.838   0.315  13.424
  280   2HD   PRO  35          HD1       PRO  35  53.814  -0.781  12.467
  281    H    GLU  36           HN       GLU  36  55.884   2.502  12.003
  282    HA   GLU  36           HA       GLU  36  55.663   5.363  11.453
  283   1HB   GLU  36          HB2       GLU  36  58.006   3.691  12.434
  284   2HB   GLU  36          HB1       GLU  36  57.996   5.455  12.369
  285   1HG   GLU  36          HG2       GLU  36  56.046   3.748  13.946
  286   2HG   GLU  36          HG1       GLU  36  57.405   4.641  14.629
  287    H    GLU  37           HN       GLU  37  57.423   2.635  10.169
  288    HA   GLU  37           HA       GLU  37  58.939   4.076   8.190
  289   1HB   GLU  37          HB2       GLU  37  58.086   1.171   8.460
  290   2HB   GLU  37          HB1       GLU  37  59.274   1.755   7.287
  291   1HG   GLU  37          HG2       GLU  37  60.658   2.659   9.117
  292   2HG   GLU  37          HG1       GLU  37  59.477   2.100  10.298
  293    H    LYS  38           HN       LYS  38  55.785   2.485   8.271
  294    HA   LYS  38           HA       LYS  38  55.123   2.691   5.493
  295   1HB   LYS  38          HB2       LYS  38  53.313   2.922   7.929
  296   2HB   LYS  38          HB1       LYS  38  52.778   2.624   6.281
  297   1HG   LYS  38          HG2       LYS  38  54.066   0.507   6.269
  298   2HG   LYS  38          HG1       LYS  38  54.507   0.784   7.953
  299   1HD   LYS  38          HD2       LYS  38  51.997   0.957   8.446
  300   2HD   LYS  38          HD1       LYS  38  51.733   0.368   6.810
  301   1HE   LYS  38          HE2       LYS  38  53.506  -1.458   7.636
  302   2HE   LYS  38          HE1       LYS  38  52.769  -1.071   9.184
  303   1HZ   LYS  38          HZ1       LYS  38  50.588  -1.467   8.193
  304   2HZ   LYS  38          HZ2       LYS  38  51.568  -2.854   8.122
  305   3HZ   LYS  38          HZ3       LYS  38  51.324  -1.910   6.731
  306    H    GLN  39           HN       GLN  39  54.867   4.726   8.323
  307    HA   GLN  39           HA       GLN  39  53.386   6.832   7.214
  308   1HB   GLN  39          HB2       GLN  39  53.953   6.648   9.640
  309   2HB   GLN  39          HB1       GLN  39  55.606   7.136   9.254
  310   1HG   GLN  39          HG2       GLN  39  54.315   9.101   9.930
  311   2HG   GLN  39          HG1       GLN  39  54.715   9.212   8.210
  312   1HE2  GLN  39          HE21      GLN  39  53.062   8.702   6.671
  313   2HE2  GLN  39          HE22      GLN  39  51.423   8.707   7.075
  314    H    ARG  40           HN       ARG  40  56.899   6.282   7.122
  315    HA   ARG  40           HA       ARG  40  57.504   8.735   5.781
  316   1HB   ARG  40          HB2       ARG  40  59.216   7.156   6.729
  317   2HB   ARG  40          HB1       ARG  40  58.862   6.045   5.407
  318   1HG   ARG  40          HG2       ARG  40  59.497   7.807   3.779
  319   2HG   ARG  40          HG1       ARG  40  59.902   8.879   5.120
  320   1HD   ARG  40          HD2       ARG  40  61.549   7.175   5.923
  321   2HD   ARG  40          HD1       ARG  40  61.206   6.216   4.483
  322    HE   ARG  40           HE       ARG  40  62.046   8.991   3.973
  323   1HH1  ARG  40          HH21      ARG  40  62.848   5.656   4.316
  324   2HH1  ARG  40          HH22      ARG  40  64.329   5.784   3.427
  325   1HH2  ARG  40          HH11      ARG  40  63.976   9.179   2.813
  326   2HH2  ARG  40          HH12      ARG  40  64.968   7.777   2.574
  327    H    HIS  41           HN       HIS  41  56.495   5.528   4.658
  328    HA   HIS  41           HA       HIS  41  56.663   6.109   1.854
  329   1HB   HIS  41          HB2       HIS  41  54.680   4.211   3.146
  330   2HB   HIS  41          HB1       HIS  41  55.328   4.142   1.514
  331    HD1  HIS  41           HD1      HIS  41  55.809   1.712   3.278
  332    HD2  HIS  41           HD2      HIS  41  58.430   4.944   3.151
  333    HE1  HIS  41           HE1      HIS  41  58.040   0.865   4.115
  334    H    LEU  42           HN       LEU  42  54.054   6.339   4.195
  335    HA   LEU  42           HA       LEU  42  52.077   7.398   2.423
  336   1HB   LEU  42          HB2       LEU  42  52.380   7.724   5.409
  337   2HB   LEU  42          HB1       LEU  42  50.917   8.071   4.496
  338    HG   LEU  42           HG       LEU  42  52.270   5.370   4.747
  339   1HD1  LEU  42          HD11      LEU  42  49.531   5.448   5.584
  340   2HD1  LEU  42          HD12      LEU  42  50.400   6.743   6.405
  341   3HD1  LEU  42          HD13      LEU  42  50.959   5.078   6.553
  342   1HD2  LEU  42          HD21      LEU  42  51.296   5.197   2.659
  343   2HD2  LEU  42          HD22      LEU  42  50.093   6.441   3.005
  344   3HD2  LEU  42          HD23      LEU  42  49.894   4.814   3.658
  345    H    ASP  43           HN       ASP  43  54.614   8.973   4.380
  346    HA   ASP  43           HA       ASP  43  53.512  11.566   4.215
  347   1HB   ASP  43          HB2       ASP  43  55.670  12.446   4.844
  348   2HB   ASP  43          HB1       ASP  43  55.385  10.967   5.753
  349    H    LYS  44           HN       LYS  44  55.646   9.842   1.953
  350    HA   LYS  44           HA       LYS  44  54.696  10.927  -0.388
  351   1HB   LYS  44          HB2       LYS  44  55.082  13.211   0.665
  352   2HB   LYS  44          HB1       LYS  44  56.799  12.875   0.589
  353   1HG   LYS  44          HG2       LYS  44  56.294  14.131  -1.358
  354   2HG   LYS  44          HG1       LYS  44  56.411  12.457  -1.912
  355   1HD   LYS  44          HD2       LYS  44  54.059  12.202  -2.013
  356   2HD   LYS  44          HD1       LYS  44  53.776  13.638  -1.029
  357   1HE   LYS  44          HE2       LYS  44  55.303  14.129  -3.512
  358   2HE   LYS  44          HE1       LYS  44  53.650  13.575  -3.773
  359   1HZ   LYS  44          HZ1       LYS  44  52.775  15.421  -2.841
  360   2HZ   LYS  44          HZ2       LYS  44  54.235  16.105  -3.375
  361   3HZ   LYS  44          HZ3       LYS  44  54.058  15.635  -1.752
  362    H    LYS  45           HN       LYS  45  55.884   8.681  -0.348
  363    HA   LYS  45           HA       LYS  45  58.800   8.896  -0.739
  364   1HB   LYS  45          HB2       LYS  45  57.720   6.836   0.211
  365   2HB   LYS  45          HB1       LYS  45  57.021   6.527  -1.376
  366   1HG   LYS  45          HG2       LYS  45  59.313   6.527  -2.346
  367   2HG   LYS  45          HG1       LYS  45  59.975   6.752  -0.726
  368   1HD   LYS  45          HD2       LYS  45  58.821   4.639  -0.023
  369   2HD   LYS  45          HD1       LYS  45  58.349   4.394  -1.704
  370   1HE   LYS  45          HE2       LYS  45  61.001   4.836  -2.029
  371   2HE   LYS  45          HE1       LYS  45  61.010   4.099  -0.428
  372   1HZ   LYS  45          HZ1       LYS  45  60.678   2.851  -2.915
  373   2HZ   LYS  45          HZ2       LYS  45  59.243   2.652  -2.028
  374   3HZ   LYS  45          HZ3       LYS  45  60.726   2.138  -1.377
  375    H    GLN  46           HN       GLN  46  59.829   9.044  -2.755
  376    HA   GLN  46           HA       GLN  46  58.392  10.067  -4.957
  377   1HB   GLN  46          HB2       GLN  46  60.912  10.080  -4.667
  378   2HB   GLN  46          HB1       GLN  46  60.910   8.386  -5.159
  379   1HG   GLN  46          HG2       GLN  46  59.776   9.048  -7.285
  380   2HG   GLN  46          HG1       GLN  46  59.922  10.737  -6.799
  381   1HE2  GLN  46          HE21      GLN  46  61.406   8.522  -8.739
  382   2HE2  GLN  46          HE22      GLN  46  63.003   9.093  -8.670
  383    H    ARG  47           HN       ARG  47  59.255   6.704  -4.142
  384    HA   ARG  47           HA       ARG  47  56.949   5.836  -5.744
  385   1HB   ARG  47          HB2       ARG  47  59.760   4.890  -6.353
  386   2HB   ARG  47          HB1       ARG  47  58.298   4.104  -6.953
  387   1HG   ARG  47          HG2       ARG  47  57.611   6.279  -7.984
  388   2HG   ARG  47          HG1       ARG  47  59.160   6.959  -7.490
  389   1HD   ARG  47          HD2       ARG  47  58.757   4.599  -9.349
  390   2HD   ARG  47          HD1       ARG  47  59.300   6.211  -9.814
  391    HE   ARG  47           HE       ARG  47  61.161   5.466  -7.934
  392   1HH1  ARG  47          HH21      ARG  47  59.793   3.994 -10.736
  393   2HH1  ARG  47          HH22      ARG  47  61.221   3.092 -11.124
  394   1HH2  ARG  47          HH11      ARG  47  63.036   4.299  -8.427
  395   2HH2  ARG  47          HH12      ARG  47  63.056   3.266  -9.818
  396    H    PHE  48           HN       PHE  48  55.891   4.368  -4.559
  397    HA   PHE  48           HA       PHE  48  57.443   2.654  -2.659
  398   1HB   PHE  48          HB2       PHE  48  55.650   4.359  -1.776
  399   2HB   PHE  48          HB1       PHE  48  54.480   3.250  -2.467
  400    HD1  PHE  48           HD1      PHE  48  53.420   2.110  -0.729
  401    HD2  PHE  48           HD2      PHE  48  57.683   2.646  -0.567
  402    HE1  PHE  48           HE1      PHE  48  53.525   0.706   1.309
  403    HE2  PHE  48           HE2      PHE  48  57.777   1.236   1.461
  404    HZ   PHE  48           HZ       PHE  48  55.708   0.259   2.398
  405    H    HIS  49           HN       HIS  49  57.216   0.361  -3.146
  406    HA   HIS  49           HA       HIS  49  55.538  -0.111  -5.578
  407   1HB   HIS  49          HB2       HIS  49  58.116  -1.398  -4.687
  408   2HB   HIS  49          HB1       HIS  49  57.185  -1.933  -6.084
  409    HD1  HIS  49           HD1      HIS  49  59.331   0.876  -4.840
  410    HD2  HIS  49           HD2      HIS  49  57.229  -0.128  -8.297
  411    HE1  HIS  49           HE1      HIS  49  60.082   2.501  -6.632
  412    H    ASN  50           HN       ASN  50  54.156  -1.760  -5.743
  413    HA   ASN  50           HA       ASN  50  53.748  -3.489  -3.341
  414   1HB   ASN  50          HB2       ASN  50  51.943  -1.876  -3.790
  415   2HB   ASN  50          HB1       ASN  50  51.734  -2.569  -5.376
  416   1HD2  ASN  50          HD21      ASN  50  51.776  -3.603  -1.934
  417   2HD2  ASN  50          HD22      ASN  50  50.574  -4.785  -2.125
  418    H    ILE  51           HN       ILE  51  53.863  -5.618  -3.599
  419    HA   ILE  51           HA       ILE  51  53.693  -6.824  -6.340
  420    HB   ILE  51           HB       ILE  51  54.997  -7.984  -3.845
  421   1HG1  ILE  51          HG12      ILE  51  56.340  -7.011  -6.374
  422   2HG1  ILE  51          HG11      ILE  51  56.268  -6.064  -4.884
  423   1HG2  ILE  51          HG21      ILE  51  55.164  -8.970  -6.698
  424   2HG2  ILE  51          HG22      ILE  51  53.953  -9.558  -5.557
  425   3HG2  ILE  51          HG23      ILE  51  55.668  -9.808  -5.230
  426   1HD1  ILE  51          HD11      ILE  51  58.380  -7.322  -5.059
  427   2HD1  ILE  51          HD12      ILE  51  57.469  -8.824  -5.198
  428   3HD1  ILE  51          HD13      ILE  51  57.416  -7.897  -3.699
  429    H    ARG  52           HN       ARG  52  52.086  -8.518  -6.540
  430    HA   ARG  52           HA       ARG  52  49.870  -8.372  -4.811
  431   1HB   ARG  52          HB2       ARG  52  50.809 -10.748  -6.450
  432   2HB   ARG  52          HB1       ARG  52  49.210 -10.606  -5.720
  433   1HG   ARG  52          HG2       ARG  52  48.833  -8.518  -7.023
  434   2HG   ARG  52          HG1       ARG  52  50.400  -8.749  -7.803
  435   1HD   ARG  52          HD2       ARG  52  48.719  -9.661  -9.278
  436   2HD   ARG  52          HD1       ARG  52  49.588 -11.018  -8.563
  437    HE   ARG  52           HE       ARG  52  47.128 -10.194  -7.160
  438   1HH1  ARG  52          HH21      ARG  52  48.729 -12.247  -9.421
  439   2HH1  ARG  52          HH22      ARG  52  47.533 -13.496  -9.335
  440   1HH2  ARG  52          HH11      ARG  52  45.557 -11.814  -7.036
  441   2HH2  ARG  52          HH12      ARG  52  45.737 -13.252  -7.985
  442    H    GLY  53           HN       GLY  53  49.301  -9.420  -2.930
  443   1HA   GLY  53          HA2       GLY  53  49.501 -10.816  -1.048
  444   2HA   GLY  53          HA1       GLY  53  50.816 -11.658  -1.862
  445    H    ARG  54           HN       ARG  54  52.370  -9.138  -2.296
  446    HA   ARG  54           HA       ARG  54  53.075  -8.532   0.547
  447   1HB   ARG  54          HB2       ARG  54  54.988  -9.208  -1.701
  448   2HB   ARG  54          HB1       ARG  54  55.478  -8.606  -0.117
  449   1HG   ARG  54          HG2       ARG  54  54.316 -10.558   0.932
  450   2HG   ARG  54          HG1       ARG  54  53.988 -11.184  -0.685
  451   1HD   ARG  54          HD2       ARG  54  56.725 -10.654   0.508
  452   2HD   ARG  54          HD1       ARG  54  56.012 -12.237   0.204
  453    HE   ARG  54           HE       ARG  54  56.972 -10.349  -1.885
  454   1HH1  ARG  54          HH21      ARG  54  55.623 -13.380  -0.910
  455   2HH1  ARG  54          HH22      ARG  54  55.947 -14.153  -2.424
  456   1HH2  ARG  54          HH11      ARG  54  57.391 -11.351  -3.860
  457   2HH2  ARG  54          HH12      ARG  54  56.944 -13.008  -4.090
  458    H    TRP  55           HN       TRP  55  54.009  -6.461   0.927
  459    HA   TRP  55           HA       TRP  55  53.706  -4.541  -1.351
  460   1HB   TRP  55          HB2       TRP  55  52.696  -4.433   1.298
  461   2HB   TRP  55          HB1       TRP  55  53.978  -3.231   1.215
  462    HD1  TRP  55           HD1      TRP  55  50.433  -3.818   0.190
  463    HE1  TRP  55           HE1      TRP  55  49.632  -1.912  -1.351
  464    HE3  TRP  55           HE3      TRP  55  54.879  -1.498  -0.700
  465    HZ2  TRP  55           HZ2      TRP  55  50.757   0.311  -2.797
  466    HZ3  TRP  55           HZ3      TRP  55  54.978   0.522  -2.121
  467    HH2  TRP  55           HH2      TRP  55  52.937   1.408  -3.167
  468    H    THR  56           HN       THR  56  55.555  -3.226  -1.845
  469    HA   THR  56           HA       THR  56  57.983  -3.929  -0.239
  470    HB   THR  56           HB       THR  56  59.241  -4.141  -2.229
  471    HG1  THR  56           HG1      THR  56  57.202  -2.561  -3.216
  472   1HG2  THR  56          HG21      THR  56  57.968  -5.776  -3.549
  473   2HG2  THR  56          HG22      THR  56  56.469  -5.208  -2.820
  474   3HG2  THR  56          HG23      THR  56  57.677  -6.018  -1.826
  475    H    GLY  57           HN       GLY  57  59.759  -2.364  -0.404
  476   1HA   GLY  57          HA2       GLY  57  59.994   0.103  -1.437
  477   2HA   GLY  57          HA1       GLY  57  58.745   0.400  -0.240
  478    H    ARG  58           HN       ARG  58  59.392  -0.652   2.010
  479    HA   ARG  58           HA       ARG  58  61.640   0.721   2.994
  480   1HB   ARG  58          HB2       ARG  58  59.969  -0.078   4.526
  481   2HB   ARG  58          HB1       ARG  58  60.351  -1.756   4.099
  482   1HG   ARG  58          HG2       ARG  58  62.581  -1.563   4.919
  483   2HG   ARG  58          HG1       ARG  58  62.410   0.179   5.166
  484   1HD   ARG  58          HD2       ARG  58  60.499  -0.487   6.782
  485   2HD   ARG  58          HD1       ARG  58  61.203  -2.108   6.692
  486    HE   ARG  58           HE       ARG  58  62.864  -1.341   8.152
  487   1HH1  ARG  58          HH21      ARG  58  61.573   1.213   6.213
  488   2HH1  ARG  58          HH22      ARG  58  62.555   2.442   6.944
  489   1HH2  ARG  58          HH11      ARG  58  64.158   0.256   9.113
  490   2HH2  ARG  58          HH12      ARG  58  64.018   1.899   8.584
  491    H    CYS  59           HN       CYS  59  61.463  -2.623   1.935
  492    HA   CYS  59           HA       CYS  59  63.927  -3.374   2.994
  493   1HB   CYS  59          HB2       CYS  59  62.058  -4.620   1.588
  494   2HB   CYS  59          HB1       CYS  59  63.261  -4.381   0.334
  495    H    MET  60           HN       MET  60  63.247  -1.323   0.265
  496    HA   MET  60           HA       MET  60  65.744  -1.572  -1.096
  497   1HB   MET  60          HB2       MET  60  63.789  -0.175  -1.890
  498   2HB   MET  60          HB1       MET  60  64.212   1.013  -0.656
  499   1HG   MET  60          HG2       MET  60  66.513   1.139  -1.658
  500   2HG   MET  60          HG1       MET  60  65.952   0.095  -2.963
  501   1HE   MET  60          HE1       MET  60  62.743   1.497  -3.527
  502   2HE   MET  60          HE2       MET  60  63.954   0.352  -4.099
  503   3HE   MET  60          HE3       MET  60  63.629   1.816  -5.024
  504    H    SER  61           HN       SER  61  64.747   0.243   1.766
  505    HA   SER  61           HA       SER  61  67.212   1.623   2.231
  506   1HB   SER  61          HB2       SER  61  65.246   0.587   4.298
  507   2HB   SER  61          HB1       SER  61  66.426   1.875   4.528
  508    HG   SER  61           HG       SER  61  64.064   1.838   2.998
  509    H    CYS  62           HN       CYS  62  66.068  -1.627   2.991
  510    HA   CYS  62           HA       CYS  62  68.156  -2.403   4.761
  511   1HB   CYS  62          HB2       CYS  62  66.638  -4.148   2.770
  512   2HB   CYS  62          HB1       CYS  62  67.587  -4.716   4.135
  513    H    SER  63           HN       SER  63  68.066  -2.017   1.295
  514    HA   SER  63           HA       SER  63  70.270  -3.624   0.534
  515   1HB   SER  63          HB2       SER  63  69.521  -0.916  -0.602
  516   2HB   SER  63          HB1       SER  63  70.465  -2.163  -1.410
  517    HG   SER  63           HG       SER  63  68.594  -2.849  -2.071
  518    H    ARG  64           HN       ARG  64  70.178  -0.411   2.008
  519    HA   ARG  64           HA       ARG  64  72.858   0.375   1.605
  520   1HB   ARG  64          HB2       ARG  64  71.089   1.793   2.660
  521   2HB   ARG  64          HB1       ARG  64  71.214   0.807   4.118
  522   1HG   ARG  64          HG2       ARG  64  73.640   1.387   4.253
  523   2HG   ARG  64          HG1       ARG  64  73.427   2.461   2.870
  524   1HD   ARG  64          HD2       ARG  64  71.956   2.688   5.512
  525   2HD   ARG  64          HD1       ARG  64  73.293   3.714   4.995
  526    HE   ARG  64           HE       ARG  64  71.414   3.944   2.955
  527   1HH1  ARG  64          HH21      ARG  64  71.510   4.354   6.376
  528   2HH1  ARG  64          HH22      ARG  64  70.305   5.598   6.395
  529   1HH2  ARG  64          HH11      ARG  64  69.843   5.569   2.959
  530   2HH2  ARG  64          HH12      ARG  64  69.362   6.287   4.460
  531    H    SER  65           HN       SER  65  71.486  -1.824   4.030
  532    HA   SER  65           HA       SER  65  74.289  -2.585   4.751
  533   1HB   SER  65          HB2       SER  65  73.542  -2.991   7.037
  534   2HB   SER  65          HB1       SER  65  73.133  -1.339   6.583
  535    HG   SER  65           HG       SER  65  71.261  -2.068   7.354
  536    H    SER  66           HN       SER  66  74.534  -4.866   5.354
  537    HA   SER  66           HA       SER  66  73.145  -6.649   3.615
  538   1HB   SER  66          HB2       SER  66  74.639  -7.323   6.167
  539   2HB   SER  66          HB1       SER  66  74.256  -8.443   4.864
  540    HG   SER  66           HG       SER  66  75.409  -6.534   3.636
  541    H    ARG  67           HN       ARG  67  71.591  -8.320   4.167
  542    HA   ARG  67           HA       ARG  67  69.416  -8.745   5.026
  543   1HB   ARG  67          HB2       ARG  67  70.989 -10.087   6.424
  544   2HB   ARG  67          HB1       ARG  67  71.074  -8.746   7.568
  545   1HG   ARG  67          HG2       ARG  67  68.601  -8.883   7.859
  546   2HG   ARG  67          HG1       ARG  67  68.581 -10.294   6.801
  547   1HD   ARG  67          HD2       ARG  67  70.128 -10.077   9.401
  548   2HD   ARG  67          HD1       ARG  67  68.616 -10.958   9.186
  549    HE   ARG  67           HE       ARG  67  70.370 -11.986   7.255
  550   1HH1  ARG  67          HH21      ARG  67  70.220 -11.603  10.677
  551   2HH1  ARG  67          HH22      ARG  67  71.144 -13.029  11.011
  552   1HH2  ARG  67          HH11      ARG  67  71.577 -13.852   7.671
  553   2HH2  ARG  67          HH12      ARG  67  71.911 -14.304   9.309
  Start of MODEL    4
    1    H    ALA   1           HT1      ALA   1  55.365  -6.030  -8.178
    2    HA   ALA   1           HA       ALA   1  55.484  -4.225  -6.625
    3   1HB   ALA   1          HB1       ALA   1  57.560  -3.527  -6.053
    4   2HB   ALA   1          HB2       ALA   1  57.628  -2.686  -7.603
    5   3HB   ALA   1          HB3       ALA   1  58.269  -4.321  -7.458
    6    H    MET   2           HN       MET   2  56.638  -4.229  -9.951
    7    HA   MET   2           HA       MET   2  55.575  -1.744 -10.789
    8   1HB   MET   2          HB2       MET   2  56.010  -4.304 -12.348
    9   2HB   MET   2          HB1       MET   2  55.655  -2.738 -13.079
   10   1HG   MET   2          HG2       MET   2  57.674  -1.807 -11.910
   11   2HG   MET   2          HG1       MET   2  58.061  -3.444 -11.378
   12   1HE   MET   2          HE1       MET   2  56.749  -2.146 -15.156
   13   2HE   MET   2          HE2       MET   2  58.346  -1.439 -15.381
   14   3HE   MET   2          HE3       MET   2  57.394  -1.012 -13.961
   15    H    SER   3           HN       SER   3  53.973  -4.892 -10.411
   16    HA   SER   3           HA       SER   3  51.717  -4.438 -12.017
   17   1HB   SER   3          HB2       SER   3  51.740  -5.738  -9.277
   18   2HB   SER   3          HB1       SER   3  50.513  -5.966 -10.521
   19    HG   SER   3           HG       SER   3  51.888  -7.145 -11.677
   20    H    TYR   4           HN       TYR   4  52.221  -3.326  -8.615
   21    HA   TYR   4           HA       TYR   4  50.368  -1.142  -9.266
   22   1HB   TYR   4          HB2       TYR   4  48.899  -2.995  -8.396
   23   2HB   TYR   4          HB1       TYR   4  49.752  -2.876  -6.859
   24    HD1  TYR   4           HD1      TYR   4  49.329  -1.022  -5.341
   25    HD2  TYR   4           HD2      TYR   4  47.697  -1.040  -9.308
   26    HE1  TYR   4           HE1      TYR   4  47.941   0.947  -4.780
   27    HE2  TYR   4           HE2      TYR   4  46.301   0.921  -8.746
   28    HH   TYR   4           HH       TYR   4  45.637   2.302  -7.138
   29    H    SER   5           HN       SER   5  50.743   0.711  -7.896
   30    HA   SER   5           HA       SER   5  52.593   0.412  -5.626
   31   1HB   SER   5          HB2       SER   5  54.072   0.379  -7.614
   32   2HB   SER   5          HB1       SER   5  53.399   1.928  -8.085
   33    HG   SER   5           HG       SER   5  54.148   2.092  -5.558
   34    H    LEU   6           HN       LEU   6  52.739   2.342  -4.340
   35    HA   LEU   6           HA       LEU   6  50.763   4.455  -5.122
   36   1HB   LEU   6          HB2       LEU   6  51.869   3.800  -2.372
   37   2HB   LEU   6          HB1       LEU   6  50.606   4.980  -2.737
   38    HG   LEU   6           HG       LEU   6  50.438   2.014  -3.281
   39   1HD1  LEU   6          HD11      LEU   6  49.204   1.790  -1.341
   40   2HD1  LEU   6          HD12      LEU   6  48.609   3.448  -1.412
   41   3HD1  LEU   6          HD13      LEU   6  50.247   3.121  -0.845
   42   1HD2  LEU   6          HD21      LEU   6  47.937   2.821  -3.547
   43   2HD2  LEU   6          HD22      LEU   6  49.064   2.945  -4.897
   44   3HD2  LEU   6          HD23      LEU   6  48.704   4.366  -3.916
   45    H    TYR   7           HN       TYR   7  51.611   6.428  -5.574
   46    HA   TYR   7           HA       TYR   7  54.435   6.876  -5.619
   47   1HB   TYR   7          HB2       TYR   7  52.821   8.040  -7.149
   48   2HB   TYR   7          HB1       TYR   7  52.266   8.985  -5.761
   49    HD1  TYR   7           HD1      TYR   7  55.109   8.288  -8.005
   50    HD2  TYR   7           HD2      TYR   7  53.703  10.650  -4.712
   51    HE1  TYR   7           HE1      TYR   7  57.079   9.775  -8.232
   52    HE2  TYR   7           HE2      TYR   7  55.666  12.145  -4.946
   53    HH   TYR   7           HH       TYR   7  57.858  12.170  -5.856
   54    H    GLY   8           HN       GLY   8  51.853   7.637  -3.375
   55   1HA   GLY   8          HA2       GLY   8  52.376   7.931  -0.993
   56   2HA   GLY   8          HA1       GLY   8  53.911   8.660  -1.462
   57    H    THR   9           HN       THR   9  51.477   9.522  -3.551
   58    HA   THR   9           HA       THR   9  51.422  12.285  -2.588
   59    HB   THR   9           HB       THR   9  49.658  11.339  -4.810
   60    HG1  THR   9           HG1      THR   9  52.035  11.788  -5.835
   61   1HG2  THR   9          HG21      THR   9  50.827  13.819  -3.917
   62   2HG2  THR   9          HG22      THR   9  49.629  13.551  -5.179
   63   3HG2  THR   9          HG23      THR   9  51.346  13.481  -5.568
   64    H    THR  10           HN       THR  10  48.965  13.207  -3.030
   65    HA   THR  10           HA       THR  10  47.447  12.603  -0.770
   66    HB   THR  10           HB       THR  10  46.375  13.506  -3.459
   67    HG1  THR  10           HG1      THR  10  47.041  15.245  -1.384
   68   1HG2  THR  10          HG21      THR  10  44.899  12.821  -1.318
   69   2HG2  THR  10          HG22      THR  10  44.451  14.140  -2.399
   70   3HG2  THR  10          HG23      THR  10  45.276  14.487  -0.881
   71    H    LEU  11           HN       LEU  11  47.360  11.072  -3.947
   72    HA   LEU  11           HA       LEU  11  44.997   9.560  -3.663
   73   1HB   LEU  11          HB2       LEU  11  47.552   8.813  -5.062
   74   2HB   LEU  11          HB1       LEU  11  45.972   8.087  -5.357
   75    HG   LEU  11           HG       LEU  11  46.757  10.978  -5.812
   76   1HD1  LEU  11          HD11      LEU  11  45.905  10.269  -8.169
   77   2HD1  LEU  11          HD12      LEU  11  46.152   8.622  -7.591
   78   3HD1  LEU  11          HD13      LEU  11  47.511   9.744  -7.667
   79   1HD2  LEU  11          HD21      LEU  11  44.538  11.181  -5.122
   80   2HD2  LEU  11          HD22      LEU  11  44.103   9.577  -5.711
   81   3HD2  LEU  11          HD23      LEU  11  44.329  10.903  -6.851
   82    H    GLU  12           HN       GLU  12  48.245   8.862  -2.403
   83    HA   GLU  12           HA       GLU  12  47.886   6.137  -1.703
   84   1HB   GLU  12          HB2       GLU  12  50.041   7.421  -1.441
   85   2HB   GLU  12          HB1       GLU  12  49.345   8.189  -0.011
   86   1HG   GLU  12          HG2       GLU  12  48.946   5.918   0.959
   87   2HG   GLU  12          HG1       GLU  12  49.781   5.218  -0.426
   88    H    GLN  13           HN       GLN  13  46.586   9.017  -0.345
   89    HA   GLN  13           HA       GLN  13  45.979   8.350   2.285
   90   1HB   GLN  13          HB2       GLN  13  44.334   9.843   0.228
   91   2HB   GLN  13          HB1       GLN  13  44.071   9.923   1.973
   92   1HG   GLN  13          HG2       GLN  13  46.279  10.828   2.334
   93   2HG   GLN  13          HG1       GLN  13  46.709  10.591   0.643
   94   1HE2  GLN  13          HE21      GLN  13  47.082  13.101   1.107
   95   2HE2  GLN  13          HE22      GLN  13  45.779  14.079   0.652
   96    H    GLN  14           HN       GLN  14  44.212   7.317  -0.673
   97    HA   GLN  14           HA       GLN  14  41.965   6.210   0.711
   98   1HB   GLN  14          HB2       GLN  14  43.315   5.282  -1.848
   99   2HB   GLN  14          HB1       GLN  14  41.732   4.735  -1.294
  100   1HG   GLN  14          HG2       GLN  14  40.892   7.039  -1.365
  101   2HG   GLN  14          HG1       GLN  14  42.477   7.615  -1.879
  102   1HE2  GLN  14          HE21      GLN  14  40.197   8.035  -3.535
  103   2HE2  GLN  14          HE22      GLN  14  40.354   7.083  -4.932
  104    H    TYR  15           HN       TYR  15  45.156   4.927  -0.079
  105    HA   TYR  15           HA       TYR  15  44.738   2.312   1.064
  106   1HB   TYR  15          HB2       TYR  15  47.226   3.891   0.374
  107   2HB   TYR  15          HB1       TYR  15  47.276   2.245   1.009
  108    HD1  TYR  15           HD1      TYR  15  45.417   4.189  -1.628
  109    HD2  TYR  15           HD2      TYR  15  47.373   0.530  -0.536
  110    HE1  TYR  15           HE1      TYR  15  44.968   3.268  -3.889
  111    HE2  TYR  15           HE2      TYR  15  46.923  -0.398  -2.781
  112    HH   TYR  15           HH       TYR  15  44.703   0.839  -4.853
  113    H    ASN  16           HN       ASN  16  45.684   5.440   2.330
  114    HA   ASN  16           HA       ASN  16  46.985   4.672   4.701
  115   1HB   ASN  16          HB2       ASN  16  46.680   7.011   3.839
  116   2HB   ASN  16          HB1       ASN  16  45.046   6.977   4.504
  117   1HD2  ASN  16          HD21      ASN  16  46.551   8.893   5.661
  118   2HD2  ASN  16          HD22      ASN  16  47.134   8.422   7.184
  119    H    LYS  17           HN       LYS  17  43.418   4.907   4.214
  120    HA   LYS  17           HA       LYS  17  42.822   4.443   6.970
  121   1HB   LYS  17          HB2       LYS  17  40.769   3.181   5.446
  122   2HB   LYS  17          HB1       LYS  17  40.722   4.727   6.275
  123   1HG   LYS  17          HG2       LYS  17  41.265   5.938   4.361
  124   2HG   LYS  17          HG1       LYS  17  42.024   4.562   3.571
  125   1HD   LYS  17          HD2       LYS  17  39.899   3.516   3.154
  126   2HD   LYS  17          HD1       LYS  17  39.067   4.681   4.177
  127   1HE   LYS  17          HE2       LYS  17  40.070   6.450   2.523
  128   2HE   LYS  17          HE1       LYS  17  40.239   5.068   1.440
  129   1HZ   LYS  17          HZ1       LYS  17  37.683   5.481   2.820
  130   2HZ   LYS  17          HZ2       LYS  17  37.994   4.770   1.308
  131   3HZ   LYS  17          HZ3       LYS  17  38.050   6.459   1.484
  132    HA   PRO  18           HA       PRO  18  42.697  -0.252   6.009
  133   1HB   PRO  18          HB2       PRO  18  43.366  -1.132   3.535
  134   2HB   PRO  18          HB1       PRO  18  41.727  -0.571   3.923
  135   1HG   PRO  18          HG2       PRO  18  43.938   0.860   2.531
  136   2HG   PRO  18          HG1       PRO  18  42.206   0.818   2.155
  137   1HD   PRO  18          HD2       PRO  18  43.398   2.888   3.494
  138   2HD   PRO  18          HD1       PRO  18  41.697   2.442   3.693
  139    H    LEU  19           HN       LEU  19  45.272   1.830   5.316
  140    HA   LEU  19           HA       LEU  19  47.375   0.218   4.525
  141   1HB   LEU  19          HB2       LEU  19  47.573   2.636   5.080
  142   2HB   LEU  19          HB1       LEU  19  47.529   2.224   6.793
  143    HG   LEU  19           HG       LEU  19  49.531   0.721   6.371
  144   1HD1  LEU  19          HD11      LEU  19  49.517   0.360   4.036
  145   2HD1  LEU  19          HD12      LEU  19  50.826   1.522   4.258
  146   3HD1  LEU  19          HD13      LEU  19  49.250   2.068   3.685
  147   1HD2  LEU  19          HD21      LEU  19  50.865   3.077   5.685
  148   2HD2  LEU  19          HD22      LEU  19  50.460   2.554   7.321
  149   3HD2  LEU  19          HD23      LEU  19  49.376   3.634   6.448
  150    H    SER  20           HN       SER  20  46.044   0.412   7.882
  151    HA   SER  20           HA       SER  20  47.894  -1.596   8.856
  152   1HB   SER  20          HB2       SER  20  46.383  -1.826  10.744
  153   2HB   SER  20          HB1       SER  20  46.449  -0.114  10.332
  154    HG   SER  20           HG       SER  20  44.300  -0.851  10.612
  155    H    ASP  21           HN       ASP  21  44.770  -1.574   7.261
  156    HA   ASP  21           HA       ASP  21  44.238  -4.404   7.334
  157   1HB   ASP  21          HB2       ASP  21  43.341  -2.263   5.399
  158   2HB   ASP  21          HB1       ASP  21  42.724  -3.901   5.413
  159    H    LEU  22           HN       LEU  22  46.024  -2.285   5.173
  160    HA   LEU  22           HA       LEU  22  46.448  -4.305   3.132
  161   1HB   LEU  22          HB2       LEU  22  48.054  -1.781   3.659
  162   2HB   LEU  22          HB1       LEU  22  48.002  -2.699   2.157
  163    HG   LEU  22           HG       LEU  22  45.693  -1.194   3.412
  164   1HD1  LEU  22          HD11      LEU  22  45.971  -0.173   0.954
  165   2HD1  LEU  22          HD12      LEU  22  47.647  -0.639   1.257
  166   3HD1  LEU  22          HD13      LEU  22  46.831   0.478   2.350
  167   1HD2  LEU  22          HD21      LEU  22  44.613  -2.971   2.358
  168   2HD2  LEU  22          HD22      LEU  22  45.868  -3.129   1.128
  169   3HD2  LEU  22          HD23      LEU  22  44.716  -1.793   1.048
  170    H    LEU  23           HN       LEU  23  48.368  -5.519   2.838
  171    HA   LEU  23           HA       LEU  23  49.815  -5.943   5.354
  172   1HB   LEU  23          HB2       LEU  23  50.866  -7.895   4.042
  173   2HB   LEU  23          HB1       LEU  23  49.171  -8.016   4.473
  174    HG   LEU  23           HG       LEU  23  49.486  -8.787   2.201
  175   1HD1  LEU  23          HD11      LEU  23  47.647  -7.815   1.337
  176   2HD1  LEU  23          HD12      LEU  23  48.312  -6.189   1.468
  177   3HD1  LEU  23          HD13      LEU  23  47.577  -6.968   2.879
  178   1HD2  LEU  23          HD21      LEU  23  50.683  -7.744   0.562
  179   2HD2  LEU  23          HD22      LEU  23  51.553  -7.132   1.966
  180   3HD2  LEU  23          HD23      LEU  23  50.329  -6.133   1.172
  181    H    ILE  24           HN       ILE  24  51.742  -5.114   5.727
  182    HA   ILE  24           HA       ILE  24  53.371  -4.149   3.388
  183    HB   ILE  24           HB       ILE  24  53.427  -3.095   6.231
  184   1HG1  ILE  24          HG12      ILE  24  51.264  -2.531   5.347
  185   2HG1  ILE  24          HG11      ILE  24  52.265  -1.089   5.175
  186   1HG2  ILE  24          HG21      ILE  24  55.487  -2.678   5.077
  187   2HG2  ILE  24          HG22      ILE  24  54.573  -1.169   5.071
  188   3HG2  ILE  24          HG23      ILE  24  54.635  -2.169   3.619
  189   1HD1  ILE  24          HD11      ILE  24  52.807  -2.128   2.805
  190   2HD1  ILE  24          HD12      ILE  24  51.322  -1.214   3.059
  191   3HD1  ILE  24          HD13      ILE  24  51.282  -2.976   3.066
  192    H    ARG  25           HN       ARG  25  55.405  -5.140   3.188
  193    HA   ARG  25           HA       ARG  25  56.727  -6.208   5.615
  194   1HB   ARG  25          HB2       ARG  25  55.080  -7.952   4.736
  195   2HB   ARG  25          HB1       ARG  25  56.107  -8.037   3.298
  196   1HG   ARG  25          HG2       ARG  25  58.023  -8.611   4.693
  197   2HG   ARG  25          HG1       ARG  25  56.997  -8.600   6.131
  198   1HD   ARG  25          HD2       ARG  25  56.623 -10.381   3.700
  199   2HD   ARG  25          HD1       ARG  25  57.250 -10.899   5.262
  200    HE   ARG  25           HE       ARG  25  54.830  -9.827   5.947
  201   1HH1  ARG  25          HH21      ARG  25  55.900 -12.033   3.522
  202   2HH1  ARG  25          HH22      ARG  25  54.406 -12.910   3.471
  203   1HH2  ARG  25          HH11      ARG  25  52.873 -10.961   5.897
  204   2HH2  ARG  25          HH12      ARG  25  52.693 -12.303   4.817
  205    H    CYS  26           HN       CYS  26  59.003  -6.895   5.160
  206    HA   CYS  26           HA       CYS  26  60.232  -5.423   2.944
  207   1HB   CYS  26          HB2       CYS  26  61.162  -6.683   5.369
  208   2HB   CYS  26          HB1       CYS  26  62.026  -7.380   4.020
  209    H    ILE  27           HN       ILE  27  60.891  -6.413   1.022
  210    HA   ILE  27           HA       ILE  27  59.563  -8.888   0.351
  211    HB   ILE  27           HB       ILE  27  60.282  -8.444  -1.808
  212   1HG1  ILE  27          HG12      ILE  27  62.625  -6.942  -0.644
  213   2HG1  ILE  27          HG11      ILE  27  62.711  -8.545  -1.345
  214   1HG2  ILE  27          HG21      ILE  27  59.532  -6.309  -2.077
  215   2HG2  ILE  27          HG22      ILE  27  60.745  -5.656  -0.975
  216   3HG2  ILE  27          HG23      ILE  27  59.277  -6.392  -0.335
  217   1HD1  ILE  27          HD11      ILE  27  61.484  -7.185  -3.355
  218   2HD1  ILE  27          HD12      ILE  27  63.228  -7.432  -3.252
  219   3HD1  ILE  27          HD13      ILE  27  62.516  -5.923  -2.681
  220    H    ASN  28           HN       ASN  28  62.389  -8.187   2.008
  221    HA   ASN  28           HA       ASN  28  63.391 -10.964   1.553
  222   1HB   ASN  28          HB2       ASN  28  65.435 -10.301   0.783
  223   2HB   ASN  28          HB1       ASN  28  64.628  -8.786   0.409
  224   1HD2  ASN  28          HD21      ASN  28  65.898  -7.076   1.117
  225   2HD2  ASN  28          HD22      ASN  28  66.772  -7.045   2.572
  226    H    CYS  29           HN       CYS  29  63.509  -8.042   3.569
  227    HA   CYS  29           HA       CYS  29  64.403  -9.685   5.894
  228   1HB   CYS  29          HB2       CYS  29  64.011  -6.745   6.124
  229   2HB   CYS  29          HB1       CYS  29  65.326  -7.760   6.738
  230    H    GLN  30           HN       GLN  30  62.123 -10.396   5.221
  231    HA   GLN  30           HA       GLN  30  59.713  -9.440   5.517
  232   1HB   GLN  30          HB2       GLN  30  60.568 -11.890   7.040
  233   2HB   GLN  30          HB1       GLN  30  58.981 -11.573   6.336
  234   1HG   GLN  30          HG2       GLN  30  61.595 -11.943   4.854
  235   2HG   GLN  30          HG1       GLN  30  60.180 -12.981   4.796
  236   1HE2  GLN  30          HE21      GLN  30  61.715 -10.808   2.925
  237   2HE2  GLN  30          HE22      GLN  30  60.400 -10.093   2.129
  238    H    LYS  31           HN       LYS  31  61.919  -8.981   8.109
  239    HA   LYS  31           HA       LYS  31  60.160  -9.150  10.317
  240   1HB   LYS  31          HB2       LYS  31  61.476  -6.944  11.046
  241   2HB   LYS  31          HB1       LYS  31  62.270  -8.517  11.042
  242   1HG   LYS  31          HG2       LYS  31  63.161  -8.071   8.791
  243   2HG   LYS  31          HG1       LYS  31  62.357  -6.500   8.780
  244   1HD   LYS  31          HD2       LYS  31  63.657  -5.844  10.791
  245   2HD   LYS  31          HD1       LYS  31  64.495  -7.395  10.736
  246   1HE   LYS  31          HE2       LYS  31  64.519  -5.948   8.175
  247   2HE   LYS  31          HE1       LYS  31  65.357  -5.106   9.477
  248   1HZ   LYS  31          HZ1       LYS  31  66.526  -7.238   9.937
  249   2HZ   LYS  31          HZ2       LYS  31  66.906  -6.543   8.434
  250   3HZ   LYS  31          HZ3       LYS  31  65.847  -7.867   8.515
  251    HA   PRO  32           HA       PRO  32  56.854  -6.542   8.778
  252   1HB   PRO  32          HB2       PRO  32  56.404  -6.049  11.686
  253   2HB   PRO  32          HB1       PRO  32  55.255  -6.563  10.435
  254   1HG   PRO  32          HG2       PRO  32  56.235  -8.269  12.234
  255   2HG   PRO  32          HG1       PRO  32  55.877  -8.757  10.573
  256   1HD   PRO  32          HD2       PRO  32  58.520  -8.335  11.872
  257   2HD   PRO  32          HD1       PRO  32  58.073  -9.384  10.507
  258    H    LEU  33           HN       LEU  33  56.399  -4.328   8.543
  259    HA   LEU  33           HA       LEU  33  58.556  -2.497   9.335
  260   1HB   LEU  33          HB2       LEU  33  56.056  -2.178   7.674
  261   2HB   LEU  33          HB1       LEU  33  57.085  -0.812   8.092
  262    HG   LEU  33           HG       LEU  33  58.989  -1.974   7.040
  263   1HD1  LEU  33          HD11      LEU  33  58.280  -4.295   7.234
  264   2HD1  LEU  33          HD12      LEU  33  58.467  -3.913   5.521
  265   3HD1  LEU  33          HD13      LEU  33  56.857  -3.972   6.245
  266   1HD2  LEU  33          HD21      LEU  33  58.343  -0.646   5.346
  267   2HD2  LEU  33          HD22      LEU  33  56.641  -0.929   5.698
  268   3HD2  LEU  33          HD23      LEU  33  57.527  -2.055   4.663
  269    H    SER  34           HN       SER  34  58.505  -1.120  10.948
  270    HA   SER  34           HA       SER  34  56.324  -1.108  12.808
  271   1HB   SER  34          HB2       SER  34  58.216  -0.397  13.956
  272   2HB   SER  34          HB1       SER  34  58.950   0.285  12.508
  273    HG   SER  34           HG       SER  34  58.231   2.132  13.178
  274    HA   PRO  35           HA       PRO  35  53.892   1.359  10.199
  275   1HB   PRO  35          HB2       PRO  35  52.682   2.911  12.233
  276   2HB   PRO  35          HB1       PRO  35  52.071   1.437  11.470
  277   1HG   PRO  35          HG2       PRO  35  53.296   1.776  14.089
  278   2HG   PRO  35          HG1       PRO  35  52.286   0.471  13.466
  279   1HD   PRO  35          HD2       PRO  35  55.007   0.281  13.910
  280   2HD   PRO  35          HD1       PRO  35  54.061  -0.791  12.853
  281    H    GLU  36           HN       GLU  36  56.258   2.593  12.320
  282    HA   GLU  36           HA       GLU  36  56.026   5.391  11.720
  283   1HB   GLU  36          HB2       GLU  36  58.476   3.711  12.353
  284   2HB   GLU  36          HB1       GLU  36  58.438   5.475  12.349
  285   1HG   GLU  36          HG2       GLU  36  56.662   5.416  14.077
  286   2HG   GLU  36          HG1       GLU  36  56.782   3.658  14.122
  287    H    GLU  37           HN       GLU  37  57.704   2.665  10.085
  288    HA   GLU  37           HA       GLU  37  58.820   4.379   8.024
  289   1HB   GLU  37          HB2       GLU  37  58.301   1.391   8.089
  290   2HB   GLU  37          HB1       GLU  37  59.176   2.221   6.800
  291   1HG   GLU  37          HG2       GLU  37  59.951   2.231   9.734
  292   2HG   GLU  37          HG1       GLU  37  60.740   1.288   8.473
  293    H    LYS  38           HN       LYS  38  55.859   2.524   8.449
  294    HA   LYS  38           HA       LYS  38  54.813   2.817   5.818
  295   1HB   LYS  38          HB2       LYS  38  53.335   2.753   8.469
  296   2HB   LYS  38          HB1       LYS  38  52.602   2.515   6.885
  297   1HG   LYS  38          HG2       LYS  38  54.092   0.548   6.536
  298   2HG   LYS  38          HG1       LYS  38  54.688   0.753   8.185
  299   1HD   LYS  38          HD2       LYS  38  52.304   0.558   8.990
  300   2HD   LYS  38          HD1       LYS  38  51.841   0.156   7.339
  301   1HE   LYS  38          HE2       LYS  38  53.992  -1.508   7.803
  302   2HE   LYS  38          HE1       LYS  38  53.154  -1.508   9.352
  303   1HZ   LYS  38          HZ1       LYS  38  52.413  -3.180   7.588
  304   2HZ   LYS  38          HZ2       LYS  38  51.672  -1.855   6.825
  305   3HZ   LYS  38          HZ3       LYS  38  51.211  -2.299   8.398
  306    H    GLN  39           HN       GLN  39  54.829   4.729   8.724
  307    HA   GLN  39           HA       GLN  39  53.116   6.781   7.845
  308   1HB   GLN  39          HB2       GLN  39  53.939   6.566  10.191
  309   2HB   GLN  39          HB1       GLN  39  55.527   7.127   9.648
  310   1HG   GLN  39          HG2       GLN  39  54.236   9.028  10.501
  311   2HG   GLN  39          HG1       GLN  39  54.447   9.190   8.753
  312   1HE2  GLN  39          HE21      GLN  39  52.654   8.601   7.378
  313   2HE2  GLN  39          HE22      GLN  39  51.068   8.553   7.959
  314    H    ARG  40           HN       ARG  40  56.610   6.358   7.365
  315    HA   ARG  40           HA       ARG  40  56.991   8.873   6.057
  316   1HB   ARG  40          HB2       ARG  40  58.439   6.238   5.651
  317   2HB   ARG  40          HB1       ARG  40  58.991   7.796   5.035
  318   1HG   ARG  40          HG2       ARG  40  59.022   8.668   7.373
  319   2HG   ARG  40          HG1       ARG  40  58.587   7.058   7.948
  320   1HD   ARG  40          HD2       ARG  40  60.977   7.241   8.127
  321   2HD   ARG  40          HD1       ARG  40  60.645   6.188   6.752
  322    HE   ARG  40           HE       ARG  40  61.704   8.945   6.606
  323   1HH1  ARG  40          HH21      ARG  40  60.445   6.121   5.074
  324   2HH1  ARG  40          HH22      ARG  40  61.039   6.549   3.504
  325   1HH2  ARG  40          HH11      ARG  40  62.483   9.517   4.567
  326   2HH2  ARG  40          HH12      ARG  40  62.192   8.471   3.217
  327    H    HIS  41           HN       HIS  41  55.927   5.676   4.913
  328    HA   HIS  41           HA       HIS  41  55.918   6.413   2.133
  329   1HB   HIS  41          HB2       HIS  41  54.078   4.345   3.359
  330   2HB   HIS  41          HB1       HIS  41  54.671   4.424   1.706
  331    HD1  HIS  41           HD1      HIS  41  57.667   5.100   2.441
  332    HD2  HIS  41           HD2      HIS  41  55.445   1.956   4.032
  333    HE1  HIS  41           HE1      HIS  41  59.336   3.412   3.324
  334    H    LEU  42           HN       LEU  42  53.453   6.504   4.649
  335    HA   LEU  42           HA       LEU  42  51.366   7.608   3.017
  336   1HB   LEU  42          HB2       LEU  42  51.869   8.029   5.978
  337   2HB   LEU  42          HB1       LEU  42  50.338   8.263   5.142
  338    HG   LEU  42           HG       LEU  42  51.811   5.639   5.487
  339   1HD1  LEU  42          HD11      LEU  42  49.066   5.790   6.420
  340   2HD1  LEU  42          HD12      LEU  42  50.080   6.999   7.205
  341   3HD1  LEU  42          HD13      LEU  42  50.516   5.293   7.293
  342   1HD2  LEU  42          HD21      LEU  42  49.622   6.487   3.684
  343   2HD2  LEU  42          HD22      LEU  42  49.336   4.989   4.569
  344   3HD2  LEU  42          HD23      LEU  42  50.753   5.139   3.532
  345    H    ASP  43           HN       ASP  43  54.072   8.940   4.798
  346    HA   ASP  43           HA       ASP  43  53.385  11.663   4.773
  347   1HB   ASP  43          HB2       ASP  43  56.101  10.354   4.734
  348   2HB   ASP  43          HB1       ASP  43  55.844  12.076   5.001
  349    H    LYS  44           HN       LYS  44  55.029   9.721   2.346
  350    HA   LYS  44           HA       LYS  44  54.313  10.657  -0.003
  351   1HB   LYS  44          HB2       LYS  44  54.292  13.007   0.808
  352   2HB   LYS  44          HB1       LYS  44  56.036  12.923   1.053
  353   1HG   LYS  44          HG2       LYS  44  55.691  13.965  -1.061
  354   2HG   LYS  44          HG1       LYS  44  56.163  12.302  -1.428
  355   1HD   LYS  44          HD2       LYS  44  53.960  11.651  -1.921
  356   2HD   LYS  44          HD1       LYS  44  53.262  13.046  -1.097
  357   1HE   LYS  44          HE2       LYS  44  53.670  14.455  -2.889
  358   2HE   LYS  44          HE1       LYS  44  55.105  13.567  -3.395
  359   1HZ   LYS  44          HZ1       LYS  44  53.878  12.475  -4.855
  360   2HZ   LYS  44          HZ2       LYS  44  52.501  13.348  -4.375
  361   3HZ   LYS  44          HZ3       LYS  44  52.885  11.878  -3.617
  362    H    LYS  45           HN       LYS  45  55.606   8.597   0.114
  363    HA   LYS  45           HA       LYS  45  58.536   8.911   0.013
  364   1HB   LYS  45          HB2       LYS  45  57.470   6.817   0.860
  365   2HB   LYS  45          HB1       LYS  45  56.912   6.479  -0.778
  366   1HG   LYS  45          HG2       LYS  45  59.280   6.588  -1.550
  367   2HG   LYS  45          HG1       LYS  45  59.786   6.816   0.124
  368   1HD   LYS  45          HD2       LYS  45  58.639   4.650   0.691
  369   2HD   LYS  45          HD1       LYS  45  58.359   4.414  -1.036
  370   1HE   LYS  45          HE2       LYS  45  60.682   3.735   0.426
  371   2HE   LYS  45          HE1       LYS  45  60.456   3.655  -1.321
  372   1HZ   LYS  45          HZ1       LYS  45  62.349   5.040  -0.729
  373   2HZ   LYS  45          HZ2       LYS  45  61.343   6.050   0.195
  374   3HZ   LYS  45          HZ3       LYS  45  61.143   5.958  -1.489
  375    H    GLN  46           HN       GLN  46  59.796   8.948  -1.873
  376    HA   GLN  46           HA       GLN  46  58.630   9.965  -4.232
  377   1HB   GLN  46          HB2       GLN  46  61.108   9.933  -3.648
  378   2HB   GLN  46          HB1       GLN  46  61.126   8.244  -4.158
  379   1HG   GLN  46          HG2       GLN  46  60.239   8.949  -6.384
  380   2HG   GLN  46          HG1       GLN  46  60.358  10.628  -5.865
  381   1HE2  GLN  46          HE21      GLN  46  61.981   8.504  -7.735
  382   2HE2  GLN  46          HE22      GLN  46  63.579   9.012  -7.468
  383    H    ARG  47           HN       ARG  47  59.293   6.569  -3.274
  384    HA   ARG  47           HA       ARG  47  57.173   5.740  -5.130
  385   1HB   ARG  47          HB2       ARG  47  60.022   4.793  -5.506
  386   2HB   ARG  47          HB1       ARG  47  58.620   4.049  -6.272
  387   1HG   ARG  47          HG2       ARG  47  58.063   6.258  -7.299
  388   2HG   ARG  47          HG1       ARG  47  59.550   6.908  -6.617
  389   1HD   ARG  47          HD2       ARG  47  60.813   5.098  -7.834
  390   2HD   ARG  47          HD1       ARG  47  59.304   4.677  -8.646
  391    HE   ARG  47           HE       ARG  47  59.417   7.283  -9.261
  392   1HH1  ARG  47          HH21      ARG  47  61.906   4.900  -9.105
  393   2HH1  ARG  47          HH22      ARG  47  62.888   5.660 -10.311
  394   1HH2  ARG  47          HH11      ARG  47  60.691   8.291 -10.828
  395   2HH2  ARG  47          HH12      ARG  47  62.203   7.580 -11.286
  396    H    PHE  48           HN       PHE  48  55.973   4.408  -3.888
  397    HA   PHE  48           HA       PHE  48  57.369   2.386  -2.153
  398   1HB   PHE  48          HB2       PHE  48  55.692   4.220  -1.155
  399   2HB   PHE  48          HB1       PHE  48  54.463   3.153  -1.824
  400    HD1  PHE  48           HD1      PHE  48  53.484   1.838  -0.171
  401    HD2  PHE  48           HD2      PHE  48  57.716   2.576   0.012
  402    HE1  PHE  48           HE1      PHE  48  53.661   0.359   1.807
  403    HE2  PHE  48           HE2      PHE  48  57.880   1.106   1.991
  404    HZ   PHE  48           HZ       PHE  48  55.868  -0.018   2.879
  405    H    HIS  49           HN       HIS  49  56.913   0.187  -2.942
  406    HA   HIS  49           HA       HIS  49  55.001   0.149  -5.248
  407   1HB   HIS  49          HB2       HIS  49  57.427  -1.578  -4.767
  408   2HB   HIS  49          HB1       HIS  49  56.323  -1.736  -6.132
  409    HD1  HIS  49           HD1      HIS  49  55.929   0.840  -7.332
  410    HD2  HIS  49           HD2      HIS  49  59.571  -0.023  -5.504
  411    HE1  HIS  49           HE1      HIS  49  57.617   2.462  -8.298
  412    H    ASN  50           HN       ASN  50  53.529  -1.408  -5.556
  413    HA   ASN  50           HA       ASN  50  52.964  -3.253  -3.279
  414   1HB   ASN  50          HB2       ASN  50  51.207  -1.607  -3.744
  415   2HB   ASN  50          HB1       ASN  50  51.124  -2.163  -5.399
  416   1HD2  ASN  50          HD21      ASN  50  50.931  -3.551  -2.086
  417   2HD2  ASN  50          HD22      ASN  50  49.709  -4.663  -2.460
  418    H    ILE  51           HN       ILE  51  52.865  -5.402  -3.610
  419    HA   ILE  51           HA       ILE  51  52.936  -6.427  -6.422
  420    HB   ILE  51           HB       ILE  51  53.979  -7.802  -3.929
  421   1HG1  ILE  51          HG12      ILE  51  55.485  -6.511  -6.206
  422   2HG1  ILE  51          HG11      ILE  51  55.331  -5.823  -4.594
  423   1HG2  ILE  51          HG21      ILE  51  53.138  -9.273  -5.771
  424   2HG2  ILE  51          HG22      ILE  51  54.871  -9.442  -5.488
  425   3HG2  ILE  51          HG23      ILE  51  54.289  -8.498  -6.860
  426   1HD1  ILE  51          HD11      ILE  51  56.649  -8.445  -5.330
  427   2HD1  ILE  51          HD12      ILE  51  56.375  -7.907  -3.673
  428   3HD1  ILE  51          HD13      ILE  51  57.451  -6.995  -4.732
  429    H    ARG  52           HN       ARG  52  51.305  -7.952  -6.924
  430    HA   ARG  52           HA       ARG  52  48.913  -7.897  -5.480
  431   1HB   ARG  52          HB2       ARG  52  49.151  -8.754  -7.807
  432   2HB   ARG  52          HB1       ARG  52  49.922 -10.204  -7.173
  433   1HG   ARG  52          HG2       ARG  52  47.644 -10.805  -7.499
  434   2HG   ARG  52          HG1       ARG  52  47.802 -10.533  -5.767
  435   1HD   ARG  52          HD2       ARG  52  46.904  -8.233  -6.063
  436   2HD   ARG  52          HD1       ARG  52  46.715  -8.545  -7.786
  437    HE   ARG  52           HE       ARG  52  45.305 -10.602  -6.587
  438   1HH1  ARG  52          HH21      ARG  52  45.389  -7.165  -6.349
  439   2HH1  ARG  52          HH22      ARG  52  43.708  -7.017  -5.955
  440   1HH2  ARG  52          HH11      ARG  52  43.111 -10.434  -6.075
  441   2HH2  ARG  52          HH12      ARG  52  42.418  -8.870  -5.801
  442    H    GLY  53           HN       GLY  53  48.859  -8.352  -3.337
  443   1HA   GLY  53          HA2       GLY  53  48.461  -9.968  -1.608
  444   2HA   GLY  53          HA1       GLY  53  49.428 -11.135  -2.509
  445    H    ARG  54           HN       ARG  54  51.418  -8.701  -2.795
  446    HA   ARG  54           HA       ARG  54  52.510  -8.790  -0.029
  447   1HB   ARG  54          HB2       ARG  54  53.569 -10.614  -1.359
  448   2HB   ARG  54          HB1       ARG  54  54.162  -9.404  -2.494
  449   1HG   ARG  54          HG2       ARG  54  55.379  -8.283  -0.651
  450   2HG   ARG  54          HG1       ARG  54  54.810  -9.527   0.464
  451   1HD   ARG  54          HD2       ARG  54  55.913 -11.249  -0.971
  452   2HD   ARG  54          HD1       ARG  54  56.576  -9.953  -1.964
  453    HE   ARG  54           HE       ARG  54  57.674  -9.154   0.230
  454   1HH1  ARG  54          HH21      ARG  54  56.817 -12.448  -0.427
  455   2HH1  ARG  54          HH22      ARG  54  58.016 -13.098   0.636
  456   1HH2  ARG  54          HH11      ARG  54  59.231 -10.006   1.611
  457   2HH2  ARG  54          HH12      ARG  54  59.377 -11.723   1.785
  458    H    TRP  55           HN       TRP  55  53.773  -6.946   0.520
  459    HA   TRP  55           HA       TRP  55  53.634  -4.773  -1.519
  460   1HB   TRP  55          HB2       TRP  55  52.886  -4.821   1.240
  461   2HB   TRP  55          HB1       TRP  55  54.197  -3.665   1.040
  462    HD1  TRP  55           HD1      TRP  55  50.552  -4.236   0.121
  463    HE1  TRP  55           HE1      TRP  55  49.686  -2.185  -1.175
  464    HE3  TRP  55           HE3      TRP  55  54.921  -1.703  -0.514
  465    HZ2  TRP  55           HZ2      TRP  55  50.734   0.199  -2.353
  466    HZ3  TRP  55           HZ3      TRP  55  54.953   0.463  -1.693
  467    HH2  TRP  55           HH2      TRP  55  52.870   1.426  -2.620
  468    H    THR  56           HN       THR  56  55.427  -3.450  -1.884
  469    HA   THR  56           HA       THR  56  57.993  -4.476  -0.742
  470    HB   THR  56           HB       THR  56  57.505  -3.381  -3.523
  471    HG1  THR  56           HG1      THR  56  58.441  -5.865  -3.452
  472   1HG2  THR  56          HG21      THR  56  59.932  -4.694  -3.496
  473   2HG2  THR  56          HG22      THR  56  59.911  -3.880  -1.931
  474   3HG2  THR  56          HG23      THR  56  59.718  -2.947  -3.413
  475    H    GLY  57           HN       GLY  57  59.462  -2.904  -0.075
  476   1HA   GLY  57          HA2       GLY  57  59.638  -0.232  -0.763
  477   2HA   GLY  57          HA1       GLY  57  58.358  -0.277   0.429
  478    H    ARG  58           HN       ARG  58  59.154  -1.955   2.359
  479    HA   ARG  58           HA       ARG  58  61.189  -0.566   3.763
  480   1HB   ARG  58          HB2       ARG  58  59.682  -2.277   4.789
  481   2HB   ARG  58          HB1       ARG  58  60.581  -3.530   3.955
  482   1HG   ARG  58          HG2       ARG  58  62.634  -2.792   5.069
  483   2HG   ARG  58          HG1       ARG  58  61.741  -1.543   5.901
  484   1HD   ARG  58          HD2       ARG  58  60.253  -3.515   6.748
  485   2HD   ARG  58          HD1       ARG  58  61.582  -4.529   6.274
  486    HE   ARG  58           HE       ARG  58  62.677  -3.804   8.215
  487   1HH1  ARG  58          HH21      ARG  58  60.501  -1.424   6.960
  488   2HH1  ARG  58          HH22      ARG  58  60.746  -0.317   8.269
  489   1HH2  ARG  58          HH11      ARG  58  63.030  -2.341   9.925
  490   2HH2  ARG  58          HH12      ARG  58  62.187  -0.828   9.938
  491    H    CYS  59           HN       CYS  59  61.243  -3.331   1.643
  492    HA   CYS  59           HA       CYS  59  64.062  -3.735   1.895
  493   1HB   CYS  59          HB2       CYS  59  61.922  -5.160   0.883
  494   2HB   CYS  59          HB1       CYS  59  62.937  -4.823  -0.513
  495    H    MET  60           HN       MET  60  62.110  -1.595   0.039
  496    HA   MET  60           HA       MET  60  63.849  -1.250  -2.208
  497   1HB   MET  60          HB2       MET  60  61.590  -0.148  -1.933
  498   2HB   MET  60          HB1       MET  60  62.338   0.967  -0.789
  499   1HG   MET  60          HG2       MET  60  63.998   1.585  -2.573
  500   2HG   MET  60          HG1       MET  60  63.075   0.600  -3.707
  501   1HE   MET  60          HE1       MET  60  59.985   2.050  -4.450
  502   2HE   MET  60          HE2       MET  60  59.731   1.583  -2.770
  503   3HE   MET  60          HE3       MET  60  60.760   0.597  -3.803
  504    H    SER  61           HN       SER  61  63.906   0.143   1.060
  505    HA   SER  61           HA       SER  61  66.239   1.785   0.612
  506   1HB   SER  61          HB2       SER  61  66.299   2.020   3.023
  507   2HB   SER  61          HB1       SER  61  64.612   2.069   2.518
  508    HG   SER  61           HG       SER  61  64.473  -0.144   3.068
  509    H    CYS  62           HN       CYS  62  65.710  -1.577   1.471
  510    HA   CYS  62           HA       CYS  62  68.335  -2.162   2.444
  511   1HB   CYS  62          HB2       CYS  62  66.432  -4.046   0.994
  512   2HB   CYS  62          HB1       CYS  62  67.790  -4.506   2.018
  513    H    SER  63           HN       SER  63  67.083  -1.692  -0.766
  514    HA   SER  63           HA       SER  63  69.761  -2.465  -1.859
  515   1HB   SER  63          HB2       SER  63  68.649  -3.078  -3.942
  516   2HB   SER  63          HB1       SER  63  67.899  -3.954  -2.611
  517    HG   SER  63           HG       SER  63  66.472  -1.921  -2.626
  518    H    ARG  64           HN       ARG  64  70.534  -1.113  -3.626
  519    HA   ARG  64           HA       ARG  64  69.218   1.575  -3.695
  520   1HB   ARG  64          HB2       ARG  64  72.174   0.897  -3.772
  521   2HB   ARG  64          HB1       ARG  64  71.511   2.513  -4.014
  522   1HG   ARG  64          HG2       ARG  64  70.439   2.365  -1.761
  523   2HG   ARG  64          HG1       ARG  64  71.240   0.812  -1.518
  524   1HD   ARG  64          HD2       ARG  64  72.611   3.475  -1.999
  525   2HD   ARG  64          HD1       ARG  64  72.560   2.589  -0.475
  526    HE   ARG  64           HE       ARG  64  73.741   1.164  -2.780
  527   1HH1  ARG  64          HH21      ARG  64  74.096   3.013   0.108
  528   2HH1  ARG  64          HH22      ARG  64  75.729   2.508   0.389
  529   1HH2  ARG  64          HH11      ARG  64  75.874   0.493  -2.428
  530   2HH2  ARG  64          HH12      ARG  64  76.735   1.082  -1.045
  531    H    SER  65           HN       SER  65  69.165   2.610  -5.728
  532    HA   SER  65           HA       SER  65  69.997   0.896  -8.036
  533   1HB   SER  65          HB2       SER  65  67.626   2.783  -7.880
  534   2HB   SER  65          HB1       SER  65  68.078   1.807  -9.274
  535    HG   SER  65           HG       SER  65  67.404   0.038  -8.270
  536    H    SER  66           HN       SER  66  70.914   2.016  -9.833
  537    HA   SER  66           HA       SER  66  72.451   4.338  -9.209
  538   1HB   SER  66          HB2       SER  66  73.034   4.382 -11.562
  539   2HB   SER  66          HB1       SER  66  72.950   2.696 -11.055
  540    HG   SER  66           HG       SER  66  71.761   3.567 -13.069
  541    H    ARG  67           HN       ARG  67  69.211   3.924 -10.444
  542    HA   ARG  67           HA       ARG  67  68.768   6.471 -11.603
  543   1HB   ARG  67          HB2       ARG  67  66.859   4.720 -10.021
  544   2HB   ARG  67          HB1       ARG  67  66.373   6.084 -11.028
  545   1HG   ARG  67          HG2       ARG  67  67.450   4.974 -12.986
  546   2HG   ARG  67          HG1       ARG  67  67.803   3.580 -11.964
  547   1HD   ARG  67          HD2       ARG  67  65.329   3.434 -11.467
  548   2HD   ARG  67          HD1       ARG  67  65.075   4.665 -12.703
  549    HE   ARG  67           HE       ARG  67  66.633   2.413 -13.686
  550   1HH1  ARG  67          HH21      ARG  67  63.497   3.656 -12.985
  551   2HH1  ARG  67          HH22      ARG  67  62.694   2.649 -14.143
  552   1HH2  ARG  67          HH11      ARG  67  65.608   1.089 -15.195
  553   2HH2  ARG  67          HH12      ARG  67  63.890   1.193 -15.396
  Start of MODEL    5
    1    H    ALA   1           HT1      ALA   1  55.338  -4.663  -6.482
    2    HA   ALA   1           HA       ALA   1  54.848  -2.575  -7.644
    3   1HB   ALA   1          HB1       ALA   1  57.161  -3.697  -7.557
    4   2HB   ALA   1          HB2       ALA   1  56.914  -2.517  -8.846
    5   3HB   ALA   1          HB3       ALA   1  56.835  -4.243  -9.202
    6    H    MET   2           HN       MET   2  55.080  -5.345  -9.897
    7    HA   MET   2           HA       MET   2  54.088  -3.947 -12.155
    8   1HB   MET   2          HB2       MET   2  53.849  -6.886 -11.438
    9   2HB   MET   2          HB1       MET   2  53.487  -6.215 -13.028
   10   1HG   MET   2          HG2       MET   2  55.825  -5.301 -13.108
   11   2HG   MET   2          HG1       MET   2  56.161  -6.162 -11.606
   12   1HE   MET   2          HE1       MET   2  54.263  -8.953 -12.238
   13   2HE   MET   2          HE2       MET   2  55.621  -8.498 -11.212
   14   3HE   MET   2          HE3       MET   2  55.803  -9.812 -12.370
   15    H    SER   3           HN       SER   3  52.350  -5.625  -9.521
   16    HA   SER   3           HA       SER   3  49.774  -5.533 -10.756
   17   1HB   SER   3          HB2       SER   3  48.900  -5.902  -8.541
   18   2HB   SER   3          HB1       SER   3  50.441  -6.756  -8.613
   19    HG   SER   3           HG       SER   3  51.274  -4.606  -7.794
   20    H    TYR   4           HN       TYR   4  51.294  -3.265  -8.430
   21    HA   TYR   4           HA       TYR   4  50.414  -0.965  -9.862
   22   1HB   TYR   4          HB2       TYR   4  48.640  -0.090  -8.555
   23   2HB   TYR   4          HB1       TYR   4  48.199  -1.758  -8.902
   24    HD1  TYR   4           HD1      TYR   4  49.292   0.611  -6.317
   25    HD2  TYR   4           HD2      TYR   4  48.240  -3.465  -7.164
   26    HE1  TYR   4           HE1      TYR   4  49.045   0.172  -3.892
   27    HE2  TYR   4           HE2      TYR   4  47.997  -3.906  -4.738
   28    HH   TYR   4           HH       TYR   4  48.240  -3.086  -2.689
   29    H    SER   5           HN       SER   5  50.887   1.088  -8.558
   30    HA   SER   5           HA       SER   5  52.636   0.583  -6.221
   31   1HB   SER   5          HB2       SER   5  54.481   1.853  -7.205
   32   2HB   SER   5          HB1       SER   5  54.100   0.440  -8.163
   33    HG   SER   5           HG       SER   5  54.360   2.669  -9.187
   34    H    LEU   6           HN       LEU   6  53.025   2.515  -4.949
   35    HA   LEU   6           HA       LEU   6  51.103   4.712  -5.620
   36   1HB   LEU   6          HB2       LEU   6  52.099   3.853  -2.889
   37   2HB   LEU   6          HB1       LEU   6  50.857   5.063  -3.225
   38    HG   LEU   6           HG       LEU   6  50.718   2.124  -3.934
   39   1HD1  LEU   6          HD11      LEU   6  49.249   1.853  -2.160
   40   2HD1  LEU   6          HD12      LEU   6  48.743   3.541  -2.189
   41   3HD1  LEU   6          HD13      LEU   6  50.302   3.099  -1.490
   42   1HD2  LEU   6          HD21      LEU   6  49.057   4.503  -4.660
   43   2HD2  LEU   6          HD22      LEU   6  48.263   2.946  -4.428
   44   3HD2  LEU   6          HD23      LEU   6  49.525   3.121  -5.648
   45    H    TYR   7           HN       TYR   7  51.974   6.722  -5.873
   46    HA   TYR   7           HA       TYR   7  54.809   7.119  -5.874
   47   1HB   TYR   7          HB2       TYR   7  53.191   8.471  -7.244
   48   2HB   TYR   7          HB1       TYR   7  52.685   9.270  -5.752
   49    HD1  TYR   7           HD1      TYR   7  55.376   8.880  -8.209
   50    HD2  TYR   7           HD2      TYR   7  54.267  10.682  -4.476
   51    HE1  TYR   7           HE1      TYR   7  57.365  10.356  -8.333
   52    HE2  TYR   7           HE2      TYR   7  56.244  12.174  -4.609
   53    HH   TYR   7           HH       TYR   7  58.272  12.288  -7.475
   54    H    GLY   8           HN       GLY   8  52.234   7.849  -3.536
   55   1HA   GLY   8          HA2       GLY   8  52.960   7.784  -1.113
   56   2HA   GLY   8          HA1       GLY   8  54.372   8.717  -1.617
   57    H    THR   9           HN       THR   9  51.558   9.440  -3.321
   58    HA   THR   9           HA       THR   9  51.399  12.136  -2.218
   59    HB   THR   9           HB       THR   9  49.697  12.515  -3.910
   60    HG1  THR   9           HG1      THR   9  49.307   9.904  -3.559
   61   1HG2  THR   9          HG21      THR   9  52.298  11.530  -4.469
   62   2HG2  THR   9          HG22      THR   9  51.322  12.620  -5.447
   63   3HG2  THR   9          HG23      THR   9  51.217  10.879  -5.698
   64    H    THR  10           HN       THR  10  49.080  12.954  -1.691
   65    HA   THR  10           HA       THR  10  48.178  11.743   0.681
   66    HB   THR  10           HB       THR  10  46.176  13.162   0.425
   67    HG1  THR  10           HG1      THR  10  46.387  12.593  -2.041
   68   1HG2  THR  10          HG21      THR  10  48.329  14.235   1.026
   69   2HG2  THR  10          HG22      THR  10  47.292  15.318   0.096
   70   3HG2  THR  10          HG23      THR  10  48.650  14.509  -0.686
   71    H    LEU  11           HN       LEU  11  47.824  10.671  -2.491
   72    HA   LEU  11           HA       LEU  11  45.277   9.445  -2.491
   73   1HB   LEU  11          HB2       LEU  11  47.837   8.581  -3.799
   74   2HB   LEU  11          HB1       LEU  11  46.231   7.994  -4.234
   75    HG   LEU  11           HG       LEU  11  47.193  10.867  -4.382
   76   1HD1  LEU  11          HD11      LEU  11  47.882   9.091  -6.164
   77   2HD1  LEU  11          HD12      LEU  11  47.191  10.613  -6.723
   78   3HD1  LEU  11          HD13      LEU  11  46.191   9.163  -6.659
   79   1HD2  LEU  11          HD21      LEU  11  44.941  11.126  -3.891
   80   2HD2  LEU  11          HD22      LEU  11  44.500   9.575  -4.604
   81   3HD2  LEU  11          HD23      LEU  11  44.863  10.952  -5.644
   82    H    GLU  12           HN       GLU  12  48.346   8.293  -1.148
   83    HA   GLU  12           HA       GLU  12  47.523   5.603  -0.615
   84   1HB   GLU  12          HB2       GLU  12  49.530   7.346   0.845
   85   2HB   GLU  12          HB1       GLU  12  49.341   5.610   1.101
   86   1HG   GLU  12          HG2       GLU  12  49.803   5.235  -1.313
   87   2HG   GLU  12          HG1       GLU  12  50.085   6.964  -1.508
   88    H    GLN  13           HN       GLN  13  46.833   8.607   0.906
   89    HA   GLN  13           HA       GLN  13  46.220   7.912   3.536
   90   1HB   GLN  13          HB2       GLN  13  44.745   9.770   1.647
   91   2HB   GLN  13          HB1       GLN  13  44.615   9.803   3.407
   92   1HG   GLN  13          HG2       GLN  13  46.981  10.281   3.633
   93   2HG   GLN  13          HG1       GLN  13  47.218  10.108   1.894
   94   1HE2  GLN  13          HE21      GLN  13  48.073  12.458   2.464
   95   2HE2  GLN  13          HE22      GLN  13  46.939  13.681   2.183
   96    H    GLN  14           HN       GLN  14  44.284   7.401   0.578
   97    HA   GLN  14           HA       GLN  14  41.881   6.553   1.857
   98   1HB   GLN  14          HB2       GLN  14  42.193   6.967  -0.618
   99   2HB   GLN  14          HB1       GLN  14  43.055   5.431  -0.705
  100   1HG   GLN  14          HG2       GLN  14  41.074   4.247   0.127
  101   2HG   GLN  14          HG1       GLN  14  40.206   5.778   0.272
  102   1HE2  GLN  14          HE21      GLN  14  39.026   3.930  -1.399
  103   2HE2  GLN  14          HE22      GLN  14  39.256   4.355  -3.026
  104    H    TYR  15           HN       TYR  15  44.843   4.797   0.966
  105    HA   TYR  15           HA       TYR  15  43.941   2.236   1.967
  106   1HB   TYR  15          HB2       TYR  15  46.728   3.297   1.455
  107   2HB   TYR  15          HB1       TYR  15  46.388   1.652   1.975
  108    HD1  TYR  15           HD1      TYR  15  43.744   2.870  -0.115
  109    HD2  TYR  15           HD2      TYR  15  47.716   1.230  -0.207
  110    HE1  TYR  15           HE1      TYR  15  43.390   2.133  -2.453
  111    HE2  TYR  15           HE2      TYR  15  47.364   0.495  -2.540
  112    HH   TYR  15           HH       TYR  15  44.630   0.057  -3.935
  113    H    ASN  16           HN       ASN  16  45.262   5.092   3.441
  114    HA   ASN  16           HA       ASN  16  46.585   4.098   5.667
  115   1HB   ASN  16          HB2       ASN  16  46.242   6.510   5.158
  116   2HB   ASN  16          HB1       ASN  16  44.594   6.375   5.768
  117   1HD2  ASN  16          HD21      ASN  16  48.012   5.869   6.777
  118   2HD2  ASN  16          HD22      ASN  16  47.732   6.189   8.420
  119    H    LYS  17           HN       LYS  17  42.993   4.269   5.339
  120    HA   LYS  17           HA       LYS  17  42.560   3.447   8.042
  121   1HB   LYS  17          HB2       LYS  17  40.446   2.320   6.529
  122   2HB   LYS  17          HB1       LYS  17  40.440   3.805   7.459
  123   1HG   LYS  17          HG2       LYS  17  40.911   5.154   5.617
  124   2HG   LYS  17          HG1       LYS  17  41.597   3.834   4.679
  125   1HD   LYS  17          HD2       LYS  17  39.379   2.835   4.394
  126   2HD   LYS  17          HD1       LYS  17  38.671   4.063   5.437
  127   1HE   LYS  17          HE2       LYS  17  38.408   5.408   3.656
  128   2HE   LYS  17          HE1       LYS  17  40.155   5.416   3.415
  129   1HZ   LYS  17          HZ1       LYS  17  39.801   4.282   1.562
  130   2HZ   LYS  17          HZ2       LYS  17  38.150   4.089   1.911
  131   3HZ   LYS  17          HZ3       LYS  17  39.282   2.968   2.501
  132    HA   PRO  18           HA       PRO  18  42.802  -1.100   6.716
  133   1HB   PRO  18          HB2       PRO  18  42.593  -1.900   4.185
  134   2HB   PRO  18          HB1       PRO  18  41.165  -1.259   5.029
  135   1HG   PRO  18          HG2       PRO  18  42.978   0.093   3.080
  136   2HG   PRO  18          HG1       PRO  18  41.208   0.122   3.176
  137   1HD   PRO  18          HD2       PRO  18  42.858   2.100   4.207
  138   2HD   PRO  18          HD1       PRO  18  41.202   1.780   4.729
  139    H    LEU  19           HN       LEU  19  44.994   1.147   5.654
  140    HA   LEU  19           HA       LEU  19  46.728  -0.100   3.889
  141   1HB   LEU  19          HB2       LEU  19  47.113   2.169   4.824
  142   2HB   LEU  19          HB1       LEU  19  47.608   1.440   6.349
  143    HG   LEU  19           HG       LEU  19  49.342   0.153   5.008
  144   1HD1  LEU  19          HD11      LEU  19  48.571   0.330   2.777
  145   2HD1  LEU  19          HD12      LEU  19  49.957   1.417   2.845
  146   3HD1  LEU  19          HD13      LEU  19  48.322   2.070   2.918
  147   1HD2  LEU  19          HD21      LEU  19  50.465   2.656   4.514
  148   2HD2  LEU  19          HD22      LEU  19  50.566   1.757   6.026
  149   3HD2  LEU  19          HD23      LEU  19  49.296   2.960   5.799
  150    H    SER  20           HN       SER  20  46.719  -0.648   7.464
  151    HA   SER  20           HA       SER  20  48.818  -2.634   7.266
  152   1HB   SER  20          HB2       SER  20  48.194  -3.259   9.526
  153   2HB   SER  20          HB1       SER  20  48.088  -1.505   9.411
  154    HG   SER  20           HG       SER  20  45.763  -2.311   8.665
  155    H    ASP  21           HN       ASP  21  45.334  -2.622   7.006
  156    HA   ASP  21           HA       ASP  21  44.878  -5.442   6.956
  157   1HB   ASP  21          HB2       ASP  21  43.307  -3.129   5.804
  158   2HB   ASP  21          HB1       ASP  21  42.715  -4.783   5.840
  159    H    LEU  22           HN       LEU  22  45.668  -3.142   4.360
  160    HA   LEU  22           HA       LEU  22  45.055  -4.801   2.158
  161   1HB   LEU  22          HB2       LEU  22  47.332  -2.813   2.380
  162   2HB   LEU  22          HB1       LEU  22  46.654  -3.438   0.879
  163    HG   LEU  22           HG       LEU  22  45.213  -1.756   2.945
  164   1HD1  LEU  22          HD11      LEU  22  45.138  -0.078   1.217
  165   2HD1  LEU  22          HD12      LEU  22  45.819  -1.195   0.034
  166   3HD1  LEU  22          HD13      LEU  22  46.813  -0.610   1.369
  167   1HD2  LEU  22          HD21      LEU  22  43.466  -1.829   0.959
  168   2HD2  LEU  22          HD22      LEU  22  43.491  -3.115   2.167
  169   3HD2  LEU  22          HD23      LEU  22  44.261  -3.363   0.599
  170    H    LEU  23           HN       LEU  23  48.020  -4.697   4.104
  171    HA   LEU  23           HA       LEU  23  49.114  -7.006   4.363
  172   1HB   LEU  23          HB2       LEU  23  49.954  -8.048   2.302
  173   2HB   LEU  23          HB1       LEU  23  48.211  -7.900   2.211
  174    HG   LEU  23           HG       LEU  23  49.054  -5.476   1.152
  175   1HD1  LEU  23          HD11      LEU  23  51.075  -5.601   0.158
  176   2HD1  LEU  23          HD12      LEU  23  50.734  -7.195  -0.503
  177   3HD1  LEU  23          HD13      LEU  23  51.370  -7.040   1.130
  178   1HD2  LEU  23          HD21      LEU  23  47.875  -7.945   0.128
  179   2HD2  LEU  23          HD22      LEU  23  48.883  -7.163  -1.086
  180   3HD2  LEU  23          HD23      LEU  23  47.557  -6.276  -0.342
  181    H    ILE  24           HN       ILE  24  50.581  -5.485   5.423
  182    HA   ILE  24           HA       ILE  24  52.498  -4.220   3.497
  183    HB   ILE  24           HB       ILE  24  51.886  -3.352   6.318
  184   1HG1  ILE  24          HG12      ILE  24  49.895  -3.010   4.984
  185   2HG1  ILE  24          HG11      ILE  24  50.708  -1.459   5.166
  186   1HG2  ILE  24          HG21      ILE  24  53.493  -1.778   6.006
  187   2HG2  ILE  24          HG22      ILE  24  52.975  -1.456   4.358
  188   3HG2  ILE  24          HG23      ILE  24  54.054  -2.808   4.692
  189   1HD1  ILE  24          HD11      ILE  24  50.312  -1.443   2.886
  190   2HD1  ILE  24          HD12      ILE  24  50.471  -3.193   2.743
  191   3HD1  ILE  24          HD13      ILE  24  51.909  -2.189   2.925
  192    H    ARG  25           HN       ARG  25  54.501  -4.929   3.532
  193    HA   ARG  25           HA       ARG  25  55.844  -5.623   6.012
  194   1HB   ARG  25          HB2       ARG  25  55.424  -7.740   3.924
  195   2HB   ARG  25          HB1       ARG  25  56.794  -7.766   5.016
  196   1HG   ARG  25          HG2       ARG  25  55.282  -7.704   6.947
  197   2HG   ARG  25          HG1       ARG  25  53.889  -7.747   5.839
  198   1HD   ARG  25          HD2       ARG  25  54.982  -9.883   4.863
  199   2HD   ARG  25          HD1       ARG  25  55.997  -9.863   6.295
  200    HE   ARG  25           HE       ARG  25  54.121 -10.473   7.620
  201   1HH1  ARG  25          HH21      ARG  25  53.299  -9.611   4.385
  202   2HH1  ARG  25          HH22      ARG  25  51.673 -10.197   4.498
  203   1HH2  ARG  25          HH11      ARG  25  51.998 -11.245   7.788
  204   2HH2  ARG  25          HH12      ARG  25  50.937 -11.124   6.425
  205    H    CYS  26           HN       CYS  26  58.082  -6.207   5.635
  206    HA   CYS  26           HA       CYS  26  59.374  -4.295   3.842
  207   1HB   CYS  26          HB2       CYS  26  59.895  -5.866   6.216
  208   2HB   CYS  26          HB1       CYS  26  61.237  -5.969   5.083
  209    H    ILE  27           HN       ILE  27  60.678  -4.963   2.063
  210    HA   ILE  27           HA       ILE  27  60.011  -7.463   0.828
  211    HB   ILE  27           HB       ILE  27  60.961  -5.310  -0.260
  212   1HG1  ILE  27          HG12      ILE  27  62.361  -7.842  -1.108
  213   2HG1  ILE  27          HG11      ILE  27  60.616  -7.665  -1.280
  214   1HG2  ILE  27          HG21      ILE  27  63.641  -6.525  -0.118
  215   2HG2  ILE  27          HG22      ILE  27  63.087  -5.819   1.394
  216   3HG2  ILE  27          HG23      ILE  27  63.170  -4.829  -0.065
  217   1HD1  ILE  27          HD11      ILE  27  61.756  -5.259  -2.258
  218   2HD1  ILE  27          HD12      ILE  27  60.966  -6.528  -3.196
  219   3HD1  ILE  27          HD13      ILE  27  62.709  -6.575  -2.942
  220    H    ASN  28           HN       ASN  28  62.413  -6.467   3.171
  221    HA   ASN  28           HA       ASN  28  63.667  -9.180   3.022
  222   1HB   ASN  28          HB2       ASN  28  65.681  -8.159   3.185
  223   2HB   ASN  28          HB1       ASN  28  64.853  -6.619   3.020
  224   1HD2  ASN  28          HD21      ASN  28  65.570  -5.236   4.671
  225   2HD2  ASN  28          HD22      ASN  28  65.838  -5.700   6.278
  226    H    CYS  29           HN       CYS  29  62.747  -6.657   5.409
  227    HA   CYS  29           HA       CYS  29  63.103  -8.418   7.647
  228   1HB   CYS  29          HB2       CYS  29  61.391  -5.918   7.604
  229   2HB   CYS  29          HB1       CYS  29  62.170  -6.650   8.994
  230    H    GLN  30           HN       GLN  30  60.585  -7.761   5.433
  231    HA   GLN  30           HA       GLN  30  58.574  -8.827   5.005
  232   1HB   GLN  30          HB2       GLN  30  59.437 -10.810   7.115
  233   2HB   GLN  30          HB1       GLN  30  58.250 -11.069   5.830
  234   1HG   GLN  30          HG2       GLN  30  61.194 -10.530   5.498
  235   2HG   GLN  30          HG1       GLN  30  60.348 -12.020   5.121
  236   1HE2  GLN  30          HE21      GLN  30  61.159  -8.880   3.981
  237   2HE2  GLN  30          HE22      GLN  30  60.332  -8.946   2.512
  238    H    LYS  31           HN       LYS  31  57.988 -10.433   7.777
  239    HA   LYS  31           HA       LYS  31  55.609  -9.187   8.485
  240   1HB   LYS  31          HB2       LYS  31  57.414 -11.109   9.747
  241   2HB   LYS  31          HB1       LYS  31  56.445 -10.185  10.895
  242   1HG   LYS  31          HG2       LYS  31  54.397 -10.819   9.728
  243   2HG   LYS  31          HG1       LYS  31  55.333 -11.666   8.496
  244   1HD   LYS  31          HD2       LYS  31  56.274 -13.124  10.325
  245   2HD   LYS  31          HD1       LYS  31  55.127 -12.372  11.434
  246   1HE   LYS  31          HE2       LYS  31  54.109 -14.405  10.642
  247   2HE   LYS  31          HE1       LYS  31  53.284 -13.067   9.842
  248   1HZ   LYS  31          HZ1       LYS  31  53.748 -14.520   8.120
  249   2HZ   LYS  31          HZ2       LYS  31  55.276 -14.938   8.735
  250   3HZ   LYS  31          HZ3       LYS  31  55.031 -13.416   8.021
  251    HA   PRO  32           HA       PRO  32  57.793  -6.867  12.135
  252   1HB   PRO  32          HB2       PRO  32  60.506  -6.621  11.629
  253   2HB   PRO  32          HB1       PRO  32  59.775  -7.768  12.755
  254   1HG   PRO  32          HG2       PRO  32  60.704  -8.167   9.962
  255   2HG   PRO  32          HG1       PRO  32  60.823  -9.254  11.354
  256   1HD   PRO  32          HD2       PRO  32  59.018  -9.669   9.465
  257   2HD   PRO  32          HD1       PRO  32  58.615  -9.950  11.173
  258    H    LEU  33           HN       LEU  33  56.614  -5.299  10.616
  259    HA   LEU  33           HA       LEU  33  58.603  -3.509   9.256
  260   1HB   LEU  33          HB2       LEU  33  56.646  -4.749   7.968
  261   2HB   LEU  33          HB1       LEU  33  55.655  -3.509   8.738
  262    HG   LEU  33           HG       LEU  33  57.097  -1.759   7.728
  263   1HD1  LEU  33          HD11      LEU  33  59.002  -2.299   6.595
  264   2HD1  LEU  33          HD12      LEU  33  58.184  -3.577   5.694
  265   3HD1  LEU  33          HD13      LEU  33  58.839  -3.913   7.282
  266   1HD2  LEU  33          HD21      LEU  33  55.070  -3.298   6.588
  267   2HD2  LEU  33          HD22      LEU  33  56.323  -3.309   5.349
  268   3HD2  LEU  33          HD23      LEU  33  55.679  -1.775   5.944
  269    H    SER  34           HN       SER  34  58.921  -1.657  10.246
  270    HA   SER  34           HA       SER  34  57.232  -0.899  12.476
  271   1HB   SER  34          HB2       SER  34  58.814   0.998  12.698
  272   2HB   SER  34          HB1       SER  34  59.683  -0.530  12.581
  273    HG   SER  34           HG       SER  34  59.498   0.105  10.156
  274    HA   PRO  35           HA       PRO  35  54.587   1.211   9.643
  275   1HB   PRO  35          HB2       PRO  35  53.475   2.950  11.552
  276   2HB   PRO  35          HB1       PRO  35  52.828   1.387  11.029
  277   1HG   PRO  35          HG2       PRO  35  54.242   2.082  13.483
  278   2HG   PRO  35          HG1       PRO  35  53.170   0.724  13.133
  279   1HD   PRO  35          HD2       PRO  35  55.921   0.535  13.389
  280   2HD   PRO  35          HD1       PRO  35  54.890  -0.658  12.567
  281    H    GLU  36           HN       GLU  36  57.069   2.429  11.538
  282    HA   GLU  36           HA       GLU  36  56.940   5.220  10.877
  283   1HB   GLU  36          HB2       GLU  36  58.467   4.215  12.605
  284   2HB   GLU  36          HB1       GLU  36  59.428   3.533  11.293
  285   1HG   GLU  36          HG2       GLU  36  59.767   5.835  10.391
  286   2HG   GLU  36          HG1       GLU  36  58.898   6.479  11.784
  287    H    GLU  37           HN       GLU  37  58.383   2.388   9.214
  288    HA   GLU  37           HA       GLU  37  59.433   4.048   7.060
  289   1HB   GLU  37          HB2       GLU  37  58.903   1.068   7.216
  290   2HB   GLU  37          HB1       GLU  37  59.764   1.875   5.907
  291   1HG   GLU  37          HG2       GLU  37  61.415   2.738   7.536
  292   2HG   GLU  37          HG1       GLU  37  60.583   1.859   8.818
  293    H    LYS  38           HN       LYS  38  56.491   2.226   7.681
  294    HA   LYS  38           HA       LYS  38  55.273   2.398   5.108
  295   1HB   LYS  38          HB2       LYS  38  53.941   2.618   7.840
  296   2HB   LYS  38          HB1       LYS  38  53.139   2.197   6.334
  297   1HG   LYS  38          HG2       LYS  38  54.559   0.165   6.176
  298   2HG   LYS  38          HG1       LYS  38  55.272   0.564   7.738
  299   1HD   LYS  38          HD2       LYS  38  52.846   0.622   8.635
  300   2HD   LYS  38          HD1       LYS  38  52.402  -0.158   7.122
  301   1HE   LYS  38          HE2       LYS  38  54.535  -1.684   7.909
  302   2HE   LYS  38          HE1       LYS  38  53.804  -1.274   9.455
  303   1HZ   LYS  38          HZ1       LYS  38  52.963  -3.232   7.761
  304   2HZ   LYS  38          HZ2       LYS  38  51.852  -1.974   7.497
  305   3HZ   LYS  38          HZ3       LYS  38  52.085  -2.591   9.062
  306    H    GLN  39           HN       GLN  39  55.532   4.470   7.907
  307    HA   GLN  39           HA       GLN  39  53.826   6.547   7.071
  308   1HB   GLN  39          HB2       GLN  39  54.767   6.324   9.381
  309   2HB   GLN  39          HB1       GLN  39  56.333   6.841   8.749
  310   1HG   GLN  39          HG2       GLN  39  55.150   8.778   9.659
  311   2HG   GLN  39          HG1       GLN  39  55.258   8.926   7.901
  312   1HE2  GLN  39          HE21      GLN  39  53.390   8.382   6.650
  313   2HE2  GLN  39          HE22      GLN  39  51.836   8.371   7.310
  314    H    ARG  40           HN       ARG  40  57.264   5.974   6.425
  315    HA   ARG  40           HA       ARG  40  57.777   8.443   5.119
  316   1HB   ARG  40          HB2       ARG  40  59.531   6.771   5.711
  317   2HB   ARG  40          HB1       ARG  40  58.930   5.728   4.420
  318   1HG   ARG  40          HG2       ARG  40  59.364   7.546   2.780
  319   2HG   ARG  40          HG1       ARG  40  60.031   8.534   4.080
  320   1HD   ARG  40          HD2       ARG  40  61.720   6.751   4.519
  321   2HD   ARG  40          HD1       ARG  40  61.093   5.857   3.134
  322    HE   ARG  40           HE       ARG  40  62.054   7.503   1.677
  323   1HH1  ARG  40          HH21      ARG  40  62.363   8.228   5.037
  324   2HH1  ARG  40          HH22      ARG  40  63.545   9.469   4.793
  325   1HH2  ARG  40          HH11      ARG  40  63.592   9.121   1.344
  326   2HH2  ARG  40          HH12      ARG  40  64.243   9.975   2.704
  327    H    HIS  41           HN       HIS  41  56.416   5.375   3.891
  328    HA   HIS  41           HA       HIS  41  56.328   6.268   1.145
  329   1HB   HIS  41          HB2       HIS  41  54.354   4.314   2.360
  330   2HB   HIS  41          HB1       HIS  41  54.919   4.400   0.694
  331    HD1  HIS  41           HD1      HIS  41  57.960   4.801   1.348
  332    HD2  HIS  41           HD2      HIS  41  55.539   1.851   3.008
  333    HE1  HIS  41           HE1      HIS  41  59.514   3.005   2.215
  334    H    LEU  42           HN       LEU  42  53.995   6.385   3.787
  335    HA   LEU  42           HA       LEU  42  51.911   7.754   2.360
  336   1HB   LEU  42          HB2       LEU  42  52.630   7.878   5.298
  337   2HB   LEU  42          HB1       LEU  42  51.071   8.300   4.606
  338    HG   LEU  42           HG       LEU  42  52.358   5.552   4.547
  339   1HD1  LEU  42          HD11      LEU  42  49.817   5.540   5.799
  340   2HD1  LEU  42          HD12      LEU  42  50.699   6.901   6.490
  341   3HD1  LEU  42          HD13      LEU  42  51.385   5.277   6.563
  342   1HD2  LEU  42          HD21      LEU  42  49.728   5.236   3.863
  343   2HD2  LEU  42          HD22      LEU  42  51.045   5.354   2.695
  344   3HD2  LEU  42          HD23      LEU  42  50.093   6.783   3.101
  345    H    ASP  43           HN       ASP  43  54.801   8.771   4.063
  346    HA   ASP  43           HA       ASP  43  54.324  11.533   4.288
  347   1HB   ASP  43          HB2       ASP  43  56.927  10.046   3.927
  348   2HB   ASP  43          HB1       ASP  43  56.815  11.749   4.358
  349    H    LYS  44           HN       LYS  44  55.611   9.641   1.624
  350    HA   LYS  44           HA       LYS  44  54.875  10.644  -0.633
  351   1HB   LYS  44          HB2       LYS  44  54.771  12.960   0.265
  352   2HB   LYS  44          HB1       LYS  44  56.529  12.966   0.413
  353   1HG   LYS  44          HG2       LYS  44  56.036  14.051  -1.641
  354   2HG   LYS  44          HG1       LYS  44  56.534  12.419  -2.102
  355   1HD   LYS  44          HD2       LYS  44  54.298  11.711  -2.442
  356   2HD   LYS  44          HD1       LYS  44  53.639  13.103  -1.587
  357   1HE   LYS  44          HE2       LYS  44  54.126  12.842  -4.380
  358   2HE   LYS  44          HE1       LYS  44  53.565  14.273  -3.520
  359   1HZ   LYS  44          HZ1       LYS  44  55.591  15.198  -3.556
  360   2HZ   LYS  44          HZ2       LYS  44  55.864  14.149  -4.863
  361   3HZ   LYS  44          HZ3       LYS  44  56.401  13.730  -3.307
  362    H    LYS  45           HN       LYS  45  56.293   8.629  -0.453
  363    HA   LYS  45           HA       LYS  45  59.181   9.003  -0.732
  364   1HB   LYS  45          HB2       LYS  45  58.137   6.882   0.127
  365   2HB   LYS  45          HB1       LYS  45  57.542   6.573  -1.506
  366   1HG   LYS  45          HG2       LYS  45  59.889   6.693  -2.345
  367   2HG   LYS  45          HG1       LYS  45  60.442   6.896  -0.683
  368   1HD   LYS  45          HD2       LYS  45  59.361   4.723  -0.094
  369   2HD   LYS  45          HD1       LYS  45  58.953   4.503  -1.797
  370   1HE   LYS  45          HE2       LYS  45  61.738   4.747  -0.624
  371   2HE   LYS  45          HE1       LYS  45  61.015   3.300  -1.328
  372   1HZ   LYS  45          HZ1       LYS  45  62.377   5.376  -2.631
  373   2HZ   LYS  45          HZ2       LYS  45  60.771   5.368  -3.184
  374   3HZ   LYS  45          HZ3       LYS  45  61.721   3.963  -3.300
  375    H    GLN  46           HN       GLN  46  60.374   8.999  -2.709
  376    HA   GLN  46           HA       GLN  46  59.097  10.134  -4.965
  377   1HB   GLN  46          HB2       GLN  46  61.628   8.461  -4.847
  378   2HB   GLN  46          HB1       GLN  46  61.138   9.445  -6.228
  379   1HG   GLN  46          HG2       GLN  46  61.193  11.463  -4.835
  380   2HG   GLN  46          HG1       GLN  46  61.635  10.495  -3.427
  381   1HE2  GLN  46          HE21      GLN  46  63.386  12.521  -4.221
  382   2HE2  GLN  46          HE22      GLN  46  64.785  11.844  -4.906
  383    H    ARG  47           HN       ARG  47  59.738   6.708  -4.173
  384    HA   ARG  47           HA       ARG  47  57.565   6.000  -6.019
  385   1HB   ARG  47          HB2       ARG  47  60.381   4.977  -6.431
  386   2HB   ARG  47          HB1       ARG  47  58.952   4.271  -7.188
  387   1HG   ARG  47          HG2       ARG  47  58.419   6.507  -8.164
  388   2HG   ARG  47          HG1       ARG  47  59.938   7.117  -7.502
  389   1HD   ARG  47          HD2       ARG  47  61.141   5.321  -8.780
  390   2HD   ARG  47          HD1       ARG  47  59.606   4.899  -9.539
  391    HE   ARG  47           HE       ARG  47  59.633   7.013 -10.694
  392   1HH1  ARG  47          HH21      ARG  47  62.329   6.469  -8.605
  393   2HH1  ARG  47          HH22      ARG  47  63.303   7.704  -9.326
  394   1HH2  ARG  47          HH11      ARG  47  60.893   8.629 -11.640
  395   2HH2  ARG  47          HH12      ARG  47  62.491   8.927 -11.041
  396    H    PHE  48           HN       PHE  48  56.338   4.576  -4.967
  397    HA   PHE  48           HA       PHE  48  57.682   2.604  -3.181
  398   1HB   PHE  48          HB2       PHE  48  56.185   4.326  -2.008
  399   2HB   PHE  48          HB1       PHE  48  54.836   3.604  -2.870
  400    HD1  PHE  48           HD1      PHE  48  57.743   1.713  -1.421
  401    HD2  PHE  48           HD2      PHE  48  53.589   2.776  -1.050
  402    HE1  PHE  48           HE1      PHE  48  57.466   0.015   0.330
  403    HE2  PHE  48           HE2      PHE  48  53.324   1.064   0.723
  404    HZ   PHE  48           HZ       PHE  48  55.263  -0.318   1.410
  405    H    HIS  49           HN       HIS  49  57.161   0.388  -3.728
  406    HA   HIS  49           HA       HIS  49  55.258   0.180  -6.037
  407   1HB   HIS  49          HB2       HIS  49  57.716  -1.470  -5.428
  408   2HB   HIS  49          HB1       HIS  49  56.638  -1.724  -6.792
  409    HD1  HIS  49           HD1      HIS  49  56.289   0.618  -8.293
  410    HD2  HIS  49           HD2      HIS  49  59.795   0.221  -6.072
  411    HE1  HIS  49           HE1      HIS  49  57.949   2.257  -9.277
  412    H    ASN  50           HN       ASN  50  53.725  -1.423  -6.075
  413    HA   ASN  50           HA       ASN  50  53.544  -3.125  -3.622
  414   1HB   ASN  50          HB2       ASN  50  51.747  -1.412  -3.816
  415   2HB   ASN  50          HB1       ASN  50  51.241  -2.163  -5.321
  416   1HD2  ASN  50          HD21      ASN  50  51.787  -2.948  -1.860
  417   2HD2  ASN  50          HD22      ASN  50  50.631  -4.189  -1.803
  418    H    ILE  51           HN       ILE  51  53.302  -5.261  -3.868
  419    HA   ILE  51           HA       ILE  51  52.793  -6.351  -6.612
  420    HB   ILE  51           HB       ILE  51  54.154  -7.723  -4.264
  421   1HG1  ILE  51          HG12      ILE  51  55.374  -6.727  -6.849
  422   2HG1  ILE  51          HG11      ILE  51  55.517  -5.886  -5.303
  423   1HG2  ILE  51          HG21      ILE  51  54.271  -8.677  -7.098
  424   2HG2  ILE  51          HG22      ILE  51  52.798  -8.973  -6.174
  425   3HG2  ILE  51          HG23      ILE  51  54.340  -9.604  -5.599
  426   1HD1  ILE  51          HD11      ILE  51  57.456  -7.163  -5.285
  427   2HD1  ILE  51          HD12      ILE  51  56.709  -8.485  -6.181
  428   3HD1  ILE  51          HD13      ILE  51  56.337  -8.257  -4.472
  429    H    ARG  52           HN       ARG  52  50.932  -7.726  -6.730
  430    HA   ARG  52           HA       ARG  52  48.995  -7.402  -4.695
  431   1HB   ARG  52          HB2       ARG  52  48.502  -8.132  -7.046
  432   2HB   ARG  52          HB1       ARG  52  49.167  -9.715  -6.652
  433   1HG   ARG  52          HG2       ARG  52  46.813  -9.942  -6.378
  434   2HG   ARG  52          HG1       ARG  52  47.456  -9.796  -4.744
  435   1HD   ARG  52          HD2       ARG  52  46.898  -7.368  -4.767
  436   2HD   ARG  52          HD1       ARG  52  46.213  -7.559  -6.378
  437    HE   ARG  52           HE       ARG  52  45.014  -8.498  -3.857
  438   1HH1  ARG  52          HH21      ARG  52  45.132  -8.555  -7.303
  439   2HH1  ARG  52          HH22      ARG  52  43.508  -9.134  -7.481
  440   1HH2  ARG  52          HH11      ARG  52  42.891  -9.247  -4.071
  441   2HH2  ARG  52          HH12      ARG  52  42.241  -9.526  -5.652
  442    H    GLY  53           HN       GLY  53  48.868  -8.264  -2.727
  443   1HA   GLY  53          HA2       GLY  53  48.849 -10.055  -1.135
  444   2HA   GLY  53          HA1       GLY  53  49.869 -11.001  -2.222
  445    H    ARG  54           HN       ARG  54  51.600  -8.512  -2.594
  446    HA   ARG  54           HA       ARG  54  52.910  -8.425   0.078
  447   1HB   ARG  54          HB2       ARG  54  53.957 -10.224  -1.296
  448   2HB   ARG  54          HB1       ARG  54  54.372  -9.014  -2.508
  449   1HG   ARG  54          HG2       ARG  54  55.682  -7.777  -0.802
  450   2HG   ARG  54          HG1       ARG  54  55.303  -9.033   0.377
  451   1HD   ARG  54          HD2       ARG  54  56.366 -10.714  -1.134
  452   2HD   ARG  54          HD1       ARG  54  56.837  -9.400  -2.211
  453    HE   ARG  54           HE       ARG  54  57.767  -8.854   0.451
  454   1HH1  ARG  54          HH21      ARG  54  58.255 -10.863  -2.309
  455   2HH1  ARG  54          HH22      ARG  54  59.945 -11.094  -2.007
  456   1HH2  ARG  54          HH11      ARG  54  59.970  -9.148   0.862
  457   2HH2  ARG  54          HH12      ARG  54  60.916 -10.122  -0.213
  458    H    TRP  55           HN       TRP  55  54.079  -6.502   0.485
  459    HA   TRP  55           HA       TRP  55  53.771  -4.367  -1.591
  460   1HB   TRP  55          HB2       TRP  55  53.115  -4.387   1.194
  461   2HB   TRP  55          HB1       TRP  55  54.480  -3.286   0.986
  462    HD1  TRP  55           HD1      TRP  55  50.794  -3.423   0.569
  463    HE1  TRP  55           HE1      TRP  55  49.968  -1.401  -0.798
  464    HE3  TRP  55           HE3      TRP  55  55.251  -1.648  -1.132
  465    HZ2  TRP  55           HZ2      TRP  55  51.079   0.685  -2.426
  466    HZ3  TRP  55           HZ3      TRP  55  55.331   0.357  -2.562
  467    HH2  TRP  55           HH2      TRP  55  53.261   1.533  -3.215
  468    H    THR  56           HN       THR  56  55.730  -3.140  -2.160
  469    HA   THR  56           HA       THR  56  58.189  -4.166  -0.812
  470    HB   THR  56           HB       THR  56  57.627  -5.450  -2.950
  471    HG1  THR  56           HG1      THR  56  60.088  -4.066  -3.009
  472   1HG2  THR  56          HG21      THR  56  57.023  -3.244  -4.146
  473   2HG2  THR  56          HG22      THR  56  57.993  -4.413  -5.042
  474   3HG2  THR  56          HG23      THR  56  58.763  -3.009  -4.303
  475    H    GLY  57           HN       GLY  57  60.137  -2.988  -1.335
  476   1HA   GLY  57          HA2       GLY  57  61.292  -1.022  -2.164
  477   2HA   GLY  57          HA1       GLY  57  59.741  -0.184  -2.236
  478    H    ARG  58           HN       ARG  58  58.927  -1.208   0.392
  479    HA   ARG  58           HA       ARG  58  59.865   0.894   2.047
  480   1HB   ARG  58          HB2       ARG  58  57.757  -0.228   2.445
  481   2HB   ARG  58          HB1       ARG  58  58.621  -1.727   2.804
  482   1HG   ARG  58          HG2       ARG  58  59.775  -0.650   4.647
  483   2HG   ARG  58          HG1       ARG  58  58.933   0.868   4.291
  484   1HD   ARG  58          HD2       ARG  58  57.588  -1.716   4.918
  485   2HD   ARG  58          HD1       ARG  58  57.849  -0.470   6.120
  486    HE   ARG  58           HE       ARG  58  56.226   0.910   4.935
  487   1HH1  ARG  58          HH21      ARG  58  56.739  -2.241   3.605
  488   2HH1  ARG  58          HH22      ARG  58  55.234  -2.262   2.750
  489   1HH2  ARG  58          HH11      ARG  58  54.258   0.878   3.834
  490   2HH2  ARG  58          HH12      ARG  58  53.835  -0.501   2.875
  491    H    CYS  59           HN       CYS  59  60.980  -2.438   1.879
  492    HA   CYS  59           HA       CYS  59  62.692  -2.173   4.129
  493   1HB   CYS  59          HB2       CYS  59  62.014  -4.278   2.749
  494   2HB   CYS  59          HB1       CYS  59  63.416  -3.839   1.787
  495    H    MET  60           HN       MET  60  62.965  -1.144   0.786
  496    HA   MET  60           HA       MET  60  65.757  -0.777   0.607
  497   1HB   MET  60          HB2       MET  60  64.079  -0.298  -1.230
  498   2HB   MET  60          HB1       MET  60  63.670   1.195  -0.383
  499   1HG   MET  60          HG2       MET  60  66.092   1.848  -0.500
  500   2HG   MET  60          HG1       MET  60  66.379   0.429  -1.505
  501   1HE   MET  60          HE1       MET  60  64.745   0.853  -4.690
  502   2HE   MET  60          HE2       MET  60  63.494   0.517  -3.497
  503   3HE   MET  60          HE3       MET  60  65.086  -0.217  -3.322
  504    H    SER  61           HN       SER  61  63.255   1.094   2.250
  505    HA   SER  61           HA       SER  61  64.866   3.312   3.049
  506   1HB   SER  61          HB2       SER  61  62.633   1.993   4.629
  507   2HB   SER  61          HB1       SER  61  63.220   3.642   4.825
  508    HG   SER  61           HG       SER  61  62.665   3.399   2.294
  509    H    CYS  62           HN       CYS  62  64.455   0.036   4.308
  510    HA   CYS  62           HA       CYS  62  65.893   0.350   6.750
  511   1HB   CYS  62          HB2       CYS  62  65.622  -2.091   4.956
  512   2HB   CYS  62          HB1       CYS  62  66.313  -2.099   6.545
  513    H    SER  63           HN       SER  63  66.947   0.037   3.428
  514    HA   SER  63           HA       SER  63  69.779   0.060   4.407
  515   1HB   SER  63          HB2       SER  63  68.703  -0.965   1.764
  516   2HB   SER  63          HB1       SER  63  70.390  -0.987   2.265
  517    HG   SER  63           HG       SER  63  69.748  -2.320   4.021
  518    H    ARG  64           HN       ARG  64  71.194   1.562   3.430
  519    HA   ARG  64           HA       ARG  64  69.890   3.549   1.617
  520   1HB   ARG  64          HB2       ARG  64  70.112   4.371   3.983
  521   2HB   ARG  64          HB1       ARG  64  71.859   4.188   3.831
  522   1HG   ARG  64          HG2       ARG  64  71.821   5.741   1.886
  523   2HG   ARG  64          HG1       ARG  64  70.092   5.976   2.138
  524   1HD   ARG  64          HD2       ARG  64  72.263   6.586   4.167
  525   2HD   ARG  64          HD1       ARG  64  71.388   7.782   3.209
  526    HE   ARG  64           HE       ARG  64  69.786   5.977   4.933
  527   1HH1  ARG  64          HH21      ARG  64  71.178   9.065   4.259
  528   2HH1  ARG  64          HH22      ARG  64  70.138   9.915   5.352
  529   1HH2  ARG  64          HH11      ARG  64  68.430   7.072   6.362
  530   2HH2  ARG  64          HH12      ARG  64  68.583   8.788   6.542
  531    H    SER  65           HN       SER  65  71.205   4.301  -0.066
  532    HA   SER  65           HA       SER  65  73.362   2.654  -0.929
  533   1HB   SER  65          HB2       SER  65  73.704   4.299  -2.673
  534   2HB   SER  65          HB1       SER  65  71.971   4.145  -2.400
  535    HG   SER  65           HG       SER  65  73.010   6.348  -2.478
  536    H    SER  66           HN       SER  66  73.279   5.477   1.132
  537    HA   SER  66           HA       SER  66  76.265   5.358   1.302
  538   1HB   SER  66          HB2       SER  66  76.233   7.730   1.886
  539   2HB   SER  66          HB1       SER  66  75.380   7.499   0.363
  540    HG   SER  66           HG       SER  66  74.356   8.816   2.122
  541    H    ARG  67           HN       ARG  67  77.151   5.631   3.457
  542    HA   ARG  67           HA       ARG  67  75.352   4.550   5.534
  543   1HB   ARG  67          HB2       ARG  67  78.332   5.126   5.537
  544   2HB   ARG  67          HB1       ARG  67  77.455   4.370   6.869
  545   1HG   ARG  67          HG2       ARG  67  76.716   2.568   5.299
  546   2HG   ARG  67          HG1       ARG  67  77.729   3.291   4.049
  547   1HD   ARG  67          HD2       ARG  67  78.677   2.203   6.715
  548   2HD   ARG  67          HD1       ARG  67  78.953   1.476   5.132
  549    HE   ARG  67           HE       ARG  67  80.411   3.741   6.252
  550   1HH1  ARG  67          HH21      ARG  67  79.316   2.109   3.417
  551   2HH1  ARG  67          HH22      ARG  67  80.577   2.739   2.409
  552   1HH2  ARG  67          HH11      ARG  67  82.061   4.568   4.953
  553   2HH2  ARG  67          HH12      ARG  67  82.131   4.129   3.279
  Start of MODEL    6
    1    H    ALA   1           HT1      ALA   1  51.050  -2.170 -15.974
    2    HA   ALA   1           HA       ALA   1  48.849  -3.064 -15.550
    3   1HB   ALA   1          HB1       ALA   1  49.096  -5.110 -16.881
    4   2HB   ALA   1          HB2       ALA   1  50.819  -5.162 -16.513
    5   3HB   ALA   1          HB3       ALA   1  50.169  -3.857 -17.505
    6    H    MET   2           HN       MET   2  50.553  -6.063 -15.078
    7    HA   MET   2           HA       MET   2  48.829  -6.958 -13.007
    8   1HB   MET   2          HB2       MET   2  51.646  -7.850 -13.692
    9   2HB   MET   2          HB1       MET   2  50.546  -8.730 -12.632
   10   1HG   MET   2          HG2       MET   2  50.075  -8.084 -15.557
   11   2HG   MET   2          HG1       MET   2  50.436  -9.674 -14.885
   12   1HE   MET   2          HE1       MET   2  49.227 -10.766 -13.141
   13   2HE   MET   2          HE2       MET   2  47.492 -10.692 -12.841
   14   3HE   MET   2          HE3       MET   2  48.563  -9.528 -12.067
   15    H    SER   3           HN       SER   3  51.901  -5.227 -12.862
   16    HA   SER   3           HA       SER   3  51.524  -5.100  -9.896
   17   1HB   SER   3          HB2       SER   3  54.107  -4.865 -11.471
   18   2HB   SER   3          HB1       SER   3  53.956  -4.779  -9.719
   19    HG   SER   3           HG       SER   3  54.153  -6.867  -9.804
   20    H    TYR   4           HN       TYR   4  51.712  -3.054  -8.940
   21    HA   TYR   4           HA       TYR   4  52.232  -0.744 -10.736
   22   1HB   TYR   4          HB2       TYR   4  50.204   0.379 -10.210
   23   2HB   TYR   4          HB1       TYR   4  49.727  -1.265 -10.626
   24    HD1  TYR   4           HD1      TYR   4  49.091  -2.881  -8.858
   25    HD2  TYR   4           HD2      TYR   4  49.999   1.219  -7.952
   26    HE1  TYR   4           HE1      TYR   4  48.026  -3.136  -6.634
   27    HE2  TYR   4           HE2      TYR   4  48.937   0.963  -5.727
   28    HH   TYR   4           HH       TYR   4  47.743  -0.374  -4.404
   29    H    SER   5           HN       SER   5  52.439   1.313  -9.426
   30    HA   SER   5           HA       SER   5  53.384   0.697  -6.657
   31   1HB   SER   5          HB2       SER   5  55.222   2.316  -7.050
   32   2HB   SER   5          HB1       SER   5  55.289   0.939  -8.128
   33    HG   SER   5           HG       SER   5  55.556   2.780  -9.351
   34    H    LEU   6           HN       LEU   6  53.231   2.410  -5.155
   35    HA   LEU   6           HA       LEU   6  51.184   4.448  -5.908
   36   1HB   LEU   6          HB2       LEU   6  50.564   2.747  -4.231
   37   2HB   LEU   6          HB1       LEU   6  51.928   3.236  -3.244
   38    HG   LEU   6           HG       LEU   6  50.975   5.506  -3.107
   39   1HD1  LEU   6          HD11      LEU   6  48.265   4.982  -3.630
   40   2HD1  LEU   6          HD12      LEU   6  49.117   4.304  -5.018
   41   3HD1  LEU   6          HD13      LEU   6  49.324   6.005  -4.598
   42   1HD2  LEU   6          HD21      LEU   6  48.826   4.394  -1.825
   43   2HD2  LEU   6          HD22      LEU   6  50.464   4.431  -1.173
   44   3HD2  LEU   6          HD23      LEU   6  49.880   2.997  -2.009
   45    H    TYR   7           HN       TYR   7  52.045   6.467  -6.130
   46    HA   TYR   7           HA       TYR   7  54.624   7.253  -5.143
   47   1HB   TYR   7          HB2       TYR   7  53.500   8.314  -7.118
   48   2HB   TYR   7          HB1       TYR   7  52.345   9.049  -6.001
   49    HD1  TYR   7           HD1      TYR   7  55.769   9.089  -7.261
   50    HD2  TYR   7           HD2      TYR   7  53.124  10.666  -4.268
   51    HE1  TYR   7           HE1      TYR   7  57.431  10.842  -6.718
   52    HE2  TYR   7           HE2      TYR   7  54.783  12.432  -3.735
   53    HH   TYR   7           HH       TYR   7  57.476  12.565  -4.015
   54    H    GLY   8           HN       GLY   8  51.293   7.712  -4.084
   55   1HA   GLY   8          HA2       GLY   8  50.692   7.920  -1.743
   56   2HA   GLY   8          HA1       GLY   8  52.295   8.553  -1.414
   57    H    THR   9           HN       THR   9  51.080   9.959  -4.255
   58    HA   THR   9           HA       THR   9  50.989  12.568  -3.126
   59    HB   THR   9           HB       THR   9  49.920  13.284  -5.217
   60    HG1  THR   9           HG1      THR   9  48.659  11.929  -6.146
   61   1HG2  THR   9          HG21      THR   9  51.701  12.771  -6.645
   62   2HG2  THR   9          HG22      THR   9  51.890  11.152  -5.985
   63   3HG2  THR   9          HG23      THR   9  52.402  12.554  -5.044
   64    H    THR  10           HN       THR  10  48.322  10.215  -3.576
   65    HA   THR  10           HA       THR  10  46.768  11.677  -1.601
   66    HB   THR  10           HB       THR  10  46.288  13.178  -3.406
   67    HG1  THR  10           HG1      THR  10  44.347  13.006  -2.643
   68   1HG2  THR  10          HG21      THR  10  46.120  12.570  -5.585
   69   2HG2  THR  10          HG22      THR  10  45.100  11.181  -5.215
   70   3HG2  THR  10          HG23      THR  10  46.851  11.057  -5.049
   71    H    LEU  11           HN       LEU  11  46.711   9.244  -4.188
   72    HA   LEU  11           HA       LEU  11  44.345   7.870  -3.444
   73   1HB   LEU  11          HB2       LEU  11  46.938   6.713  -4.493
   74   2HB   LEU  11          HB1       LEU  11  45.352   5.944  -4.588
   75    HG   LEU  11           HG       LEU  11  46.176   8.549  -5.907
   76   1HD1  LEU  11          HD11      LEU  11  45.864   7.343  -7.986
   77   2HD1  LEU  11          HD12      LEU  11  45.263   5.926  -7.124
   78   3HD1  LEU  11          HD13      LEU  11  46.953   6.401  -6.967
   79   1HD2  LEU  11          HD21      LEU  11  43.525   7.244  -5.423
   80   2HD2  LEU  11          HD22      LEU  11  43.780   8.056  -6.968
   81   3HD2  LEU  11          HD23      LEU  11  43.939   8.959  -5.462
   82    H    GLU  12           HN       GLU  12  47.630   7.609  -2.231
   83    HA   GLU  12           HA       GLU  12  47.323   5.306  -0.613
   84   1HB   GLU  12          HB2       GLU  12  49.472   6.360  -1.207
   85   2HB   GLU  12          HB1       GLU  12  49.102   7.703  -0.133
   86   1HG   GLU  12          HG2       GLU  12  48.959   6.099   1.761
   87   2HG   GLU  12          HG1       GLU  12  49.430   4.796   0.672
   88    H    GLN  13           HN       GLN  13  46.357   8.640  -0.011
   89    HA   GLN  13           HA       GLN  13  46.199   8.518   2.802
   90   1HB   GLN  13          HB2       GLN  13  44.151   9.836   0.986
   91   2HB   GLN  13          HB1       GLN  13  44.533  10.280   2.652
   92   1HG   GLN  13          HG2       GLN  13  46.276  10.568   0.206
   93   2HG   GLN  13          HG1       GLN  13  45.731  11.834   1.304
   94   1HE2  GLN  13          HE21      GLN  13  48.421  10.166   0.507
   95   2HE2  GLN  13          HE22      GLN  13  49.221  10.112   1.996
   96    H    GLN  14           HN       GLN  14  43.954   7.339   0.310
   97    HA   GLN  14           HA       GLN  14  41.904   6.455   2.116
   98   1HB   GLN  14          HB2       GLN  14  42.728   5.389  -0.606
   99   2HB   GLN  14          HB1       GLN  14  41.248   4.936   0.242
  100   1HG   GLN  14          HG2       GLN  14  40.507   7.274   0.240
  101   2HG   GLN  14          HG1       GLN  14  41.999   7.760  -0.566
  102   1HE2  GLN  14          HE21      GLN  14  39.481   8.247  -1.806
  103   2HE2  GLN  14          HE22      GLN  14  39.344   7.250  -3.172
  104    H    TYR  15           HN       TYR  15  44.874   4.995   0.884
  105    HA   TYR  15           HA       TYR  15  44.456   2.409   2.047
  106   1HB   TYR  15          HB2       TYR  15  46.999   3.802   1.193
  107   2HB   TYR  15          HB1       TYR  15  46.937   2.132   1.740
  108    HD1  TYR  15           HD1      TYR  15  43.904   2.989   0.024
  109    HD2  TYR  15           HD2      TYR  15  48.006   1.855  -0.632
  110    HE1  TYR  15           HE1      TYR  15  43.333   2.232  -2.255
  111    HE2  TYR  15           HE2      TYR  15  47.423   1.108  -2.919
  112    HH   TYR  15           HH       TYR  15  45.593   0.468  -4.233
  113    H    ASN  16           HN       ASN  16  45.570   5.435   3.350
  114    HA   ASN  16           HA       ASN  16  47.191   4.610   5.471
  115   1HB   ASN  16          HB2       ASN  16  46.575   6.976   4.826
  116   2HB   ASN  16          HB1       ASN  16  45.073   6.750   5.723
  117   1HD2  ASN  16          HD21      ASN  16  45.271   7.675   7.761
  118   2HD2  ASN  16          HD22      ASN  16  46.661   7.612   8.733
  119    H    LYS  17           HN       LYS  17  43.599   4.569   5.422
  120    HA   LYS  17           HA       LYS  17  43.379   3.821   8.187
  121   1HB   LYS  17          HB2       LYS  17  41.189   2.644   6.800
  122   2HB   LYS  17          HB1       LYS  17  41.197   4.083   7.800
  123   1HG   LYS  17          HG2       LYS  17  41.391   5.525   5.990
  124   2HG   LYS  17          HG1       LYS  17  42.165   4.324   4.976
  125   1HD   LYS  17          HD2       LYS  17  39.688   5.003   4.487
  126   2HD   LYS  17          HD1       LYS  17  40.153   3.317   4.371
  127   1HE   LYS  17          HE2       LYS  17  37.999   3.909   5.679
  128   2HE   LYS  17          HE1       LYS  17  39.115   2.763   6.411
  129   1HZ   LYS  17          HZ1       LYS  17  39.101   4.127   8.155
  130   2HZ   LYS  17          HZ2       LYS  17  38.340   5.375   7.289
  131   3HZ   LYS  17          HZ3       LYS  17  40.029   5.198   7.225
  132    HA   PRO  18           HA       PRO  18  43.037  -0.736   6.705
  133   1HB   PRO  18          HB2       PRO  18  43.446  -1.330   4.096
  134   2HB   PRO  18          HB1       PRO  18  41.877  -0.776   4.715
  135   1HG   PRO  18          HG2       PRO  18  44.019   0.762   3.337
  136   2HG   PRO  18          HG1       PRO  18  42.268   0.791   3.064
  137   1HD   PRO  18          HD2       PRO  18  43.533   2.688   4.544
  138   2HD   PRO  18          HD1       PRO  18  41.876   2.171   4.868
  139    H    LEU  19           HN       LEU  19  45.819   1.175   6.252
  140    HA   LEU  19           HA       LEU  19  47.576  -0.591   4.976
  141   1HB   LEU  19          HB2       LEU  19  48.255   1.045   7.432
  142   2HB   LEU  19          HB1       LEU  19  49.420   0.321   6.326
  143    HG   LEU  19           HG       LEU  19  47.401   2.476   5.693
  144   1HD1  LEU  19          HD11      LEU  19  49.602   3.073   6.823
  145   2HD1  LEU  19          HD12      LEU  19  49.321   3.855   5.268
  146   3HD1  LEU  19          HD13      LEU  19  50.411   2.473   5.373
  147   1HD2  LEU  19          HD21      LEU  19  47.388   1.191   3.726
  148   2HD2  LEU  19          HD22      LEU  19  49.067   0.698   3.929
  149   3HD2  LEU  19          HD23      LEU  19  48.687   2.341   3.412
  150    H    SER  20           HN       SER  20  46.491  -0.768   8.406
  151    HA   SER  20           HA       SER  20  48.109  -3.087   8.972
  152   1HB   SER  20          HB2       SER  20  45.328  -2.488  10.047
  153   2HB   SER  20          HB1       SER  20  46.535  -3.540  10.781
  154    HG   SER  20           HG       SER  20  46.230  -0.876  10.992
  155    H    ASP  21           HN       ASP  21  44.936  -2.527   7.569
  156    HA   ASP  21           HA       ASP  21  44.214  -5.260   7.073
  157   1HB   ASP  21          HB2       ASP  21  43.330  -2.679   5.763
  158   2HB   ASP  21          HB1       ASP  21  42.598  -4.243   5.431
  159    H    LEU  22           HN       LEU  22  46.070  -2.871   5.241
  160    HA   LEU  22           HA       LEU  22  46.195  -4.557   2.853
  161   1HB   LEU  22          HB2       LEU  22  47.920  -2.160   3.541
  162   2HB   LEU  22          HB1       LEU  22  47.701  -2.876   1.951
  163    HG   LEU  22           HG       LEU  22  45.582  -1.469   3.597
  164   1HD1  LEU  22          HD11      LEU  22  45.817   0.316   2.176
  165   2HD1  LEU  22          HD12      LEU  22  46.338  -0.691   0.826
  166   3HD1  LEU  22          HD13      LEU  22  47.473  -0.293   2.114
  167   1HD2  LEU  22          HD21      LEU  22  44.307  -1.792   1.345
  168   2HD2  LEU  22          HD22      LEU  22  44.366  -3.138   2.484
  169   3HD2  LEU  22          HD23      LEU  22  45.442  -3.118   1.086
  170    H    LEU  23           HN       LEU  23  48.015  -5.677   2.125
  171    HA   LEU  23           HA       LEU  23  49.576  -7.059   4.078
  172   1HB   LEU  23          HB2       LEU  23  50.905  -7.737   2.006
  173   2HB   LEU  23          HB1       LEU  23  49.169  -8.049   1.916
  174    HG   LEU  23           HG       LEU  23  49.726  -5.338   1.061
  175   1HD1  LEU  23          HD11      LEU  23  50.966  -7.385  -0.757
  176   2HD1  LEU  23          HD12      LEU  23  51.931  -6.589   0.487
  177   3HD1  LEU  23          HD13      LEU  23  51.148  -5.630  -0.770
  178   1HD2  LEU  23          HD21      LEU  23  47.703  -6.699   0.552
  179   2HD2  LEU  23          HD22      LEU  23  48.692  -7.743  -0.468
  180   3HD2  LEU  23          HD23      LEU  23  48.465  -6.047  -0.899
  181    H    ILE  24           HN       ILE  24  50.856  -5.605   5.372
  182    HA   ILE  24           HA       ILE  24  52.922  -4.088   3.823
  183    HB   ILE  24           HB       ILE  24  51.857  -3.429   6.585
  184   1HG1  ILE  24          HG12      ILE  24  50.091  -3.025   4.971
  185   2HG1  ILE  24          HG11      ILE  24  50.808  -1.469   5.382
  186   1HG2  ILE  24          HG21      ILE  24  53.887  -2.236   4.727
  187   2HG2  ILE  24          HG22      ILE  24  53.987  -2.496   6.470
  188   3HG2  ILE  24          HG23      ILE  24  52.995  -1.187   5.826
  189   1HD1  ILE  24          HD11      ILE  24  50.799  -1.294   3.083
  190   2HD1  ILE  24          HD12      ILE  24  51.007  -3.027   2.842
  191   3HD1  ILE  24          HD13      ILE  24  52.382  -2.031   3.321
  192    H    ARG  25           HN       ARG  25  54.997  -4.771   4.165
  193    HA   ARG  25           HA       ARG  25  56.118  -5.509   6.676
  194   1HB   ARG  25          HB2       ARG  25  54.506  -7.505   6.183
  195   2HB   ARG  25          HB1       ARG  25  55.688  -7.940   4.945
  196   1HG   ARG  25          HG2       ARG  25  57.463  -7.945   6.692
  197   2HG   ARG  25          HG1       ARG  25  56.238  -7.628   7.915
  198   1HD   ARG  25          HD2       ARG  25  56.302 -10.035   6.066
  199   2HD   ARG  25          HD1       ARG  25  56.737 -10.040   7.775
  200    HE   ARG  25           HE       ARG  25  54.015  -9.096   7.116
  201   1HH1  ARG  25          HH21      ARG  25  56.152 -11.579   8.194
  202   2HH1  ARG  25          HH22      ARG  25  54.902 -12.504   8.957
  203   1HH2  ARG  25          HH11      ARG  25  52.374 -10.292   8.103
  204   2HH2  ARG  25          HH12      ARG  25  52.763 -11.776   8.905
  205    H    CYS  26           HN       CYS  26  58.412  -6.535   6.237
  206    HA   CYS  26           HA       CYS  26  59.671  -5.189   4.045
  207   1HB   CYS  26          HB2       CYS  26  60.442  -6.927   6.256
  208   2HB   CYS  26          HB1       CYS  26  61.259  -7.386   4.776
  209    H    ILE  27           HN       ILE  27  60.458  -6.239   2.072
  210    HA   ILE  27           HA       ILE  27  58.609  -8.297   1.119
  211    HB   ILE  27           HB       ILE  27  59.400  -7.776  -0.999
  212   1HG1  ILE  27          HG12      ILE  27  61.992  -6.935   0.300
  213   2HG1  ILE  27          HG11      ILE  27  61.732  -8.374  -0.659
  214   1HG2  ILE  27          HG21      ILE  27  59.826  -5.302  -1.037
  215   2HG2  ILE  27          HG22      ILE  27  59.854  -5.358   0.719
  216   3HG2  ILE  27          HG23      ILE  27  58.392  -5.805  -0.149
  217   1HD1  ILE  27          HD11      ILE  27  61.483  -5.542  -1.688
  218   2HD1  ILE  27          HD12      ILE  27  61.176  -7.005  -2.624
  219   3HD1  ILE  27          HD13      ILE  27  62.801  -6.660  -2.034
  220    H    ASN  28           HN       ASN  28  61.593  -8.277   2.695
  221    HA   ASN  28           HA       ASN  28  62.091 -11.093   1.820
  222   1HB   ASN  28          HB2       ASN  28  64.261 -10.663   1.200
  223   2HB   ASN  28          HB1       ASN  28  63.643  -9.037   0.946
  224   1HD2  ASN  28          HD21      ASN  28  65.022  -7.523   1.867
  225   2HD2  ASN  28          HD22      ASN  28  65.881  -7.733   3.317
  226    H    CYS  29           HN       CYS  29  62.925  -8.579   4.206
  227    HA   CYS  29           HA       CYS  29  63.922 -10.400   6.181
  228   1HB   CYS  29          HB2       CYS  29  62.623  -7.705   6.651
  229   2HB   CYS  29          HB1       CYS  29  63.858  -8.488   7.645
  230    H    GLN  30           HN       GLN  30  60.780  -9.063   5.474
  231    HA   GLN  30           HA       GLN  30  58.637  -9.622   6.134
  232   1HB   GLN  30          HB2       GLN  30  59.840 -12.260   6.957
  233   2HB   GLN  30          HB1       GLN  30  58.158 -11.935   6.513
  234   1HG   GLN  30          HG2       GLN  30  60.593 -11.863   4.746
  235   2HG   GLN  30          HG1       GLN  30  59.128 -12.798   4.555
  236   1HE2  GLN  30          HE21      GLN  30  60.668 -10.107   3.414
  237   2HE2  GLN  30          HE22      GLN  30  59.331  -9.235   2.847
  238    H    LYS  31           HN       LYS  31  60.020  -8.162   8.043
  239    HA   LYS  31           HA       LYS  31  59.124  -9.426  10.601
  240   1HB   LYS  31          HB2       LYS  31  60.442  -7.158  11.363
  241   2HB   LYS  31          HB1       LYS  31  61.238  -8.722  11.183
  242   1HG   LYS  31          HG2       LYS  31  62.165  -8.162   9.119
  243   2HG   LYS  31          HG1       LYS  31  60.935  -6.943   8.785
  244   1HD   LYS  31          HD2       LYS  31  62.991  -5.785   9.311
  245   2HD   LYS  31          HD1       LYS  31  61.887  -5.571  10.670
  246   1HE   LYS  31          HE2       LYS  31  64.106  -6.151  11.515
  247   2HE   LYS  31          HE1       LYS  31  62.991  -7.483  11.828
  248   1HZ   LYS  31          HZ1       LYS  31  65.377  -7.559  10.404
  249   2HZ   LYS  31          HZ2       LYS  31  64.132  -7.793   9.274
  250   3HZ   LYS  31          HZ3       LYS  31  64.260  -8.816  10.623
  251    HA   PRO  32           HA       PRO  32  55.723  -6.616  10.897
  252   1HB   PRO  32          HB2       PRO  32  56.432  -5.101  13.190
  253   2HB   PRO  32          HB1       PRO  32  55.441  -6.572  13.175
  254   1HG   PRO  32          HG2       PRO  32  58.319  -6.237  13.782
  255   2HG   PRO  32          HG1       PRO  32  57.152  -7.391  14.451
  256   1HD   PRO  32          HD2       PRO  32  59.014  -8.167  12.666
  257   2HD   PRO  32          HD1       PRO  32  57.371  -8.854  12.630
  258    H    LEU  33           HN       LEU  33  55.361  -4.489  10.007
  259    HA   LEU  33           HA       LEU  33  57.890  -3.082   9.326
  260   1HB   LEU  33          HB2       LEU  33  55.786  -3.704   7.736
  261   2HB   LEU  33          HB1       LEU  33  55.252  -2.131   8.327
  262    HG   LEU  33           HG       LEU  33  57.476  -1.195   7.642
  263   1HD1  LEU  33          HD11      LEU  33  58.555  -2.726   5.788
  264   2HD1  LEU  33          HD12      LEU  33  57.730  -4.028   6.644
  265   3HD1  LEU  33          HD13      LEU  33  58.933  -3.060   7.484
  266   1HD2  LEU  33          HD21      LEU  33  55.915  -2.549   5.428
  267   2HD2  LEU  33          HD22      LEU  33  57.006  -1.182   5.220
  268   3HD2  LEU  33          HD23      LEU  33  55.508  -0.982   6.137
  269    H    SER  34           HN       SER  34  58.493  -1.324  10.278
  270    HA   SER  34           HA       SER  34  57.128  -0.383  12.580
  271   1HB   SER  34          HB2       SER  34  58.844   1.281  12.719
  272   2HB   SER  34          HB1       SER  34  59.629  -0.141  12.041
  273    HG   SER  34           HG       SER  34  58.774   1.013   9.961
  274    HA   PRO  35           HA       PRO  35  54.214   1.782  10.015
  275   1HB   PRO  35          HB2       PRO  35  53.069   3.199  12.166
  276   2HB   PRO  35          HB1       PRO  35  52.476   1.692  11.453
  277   1HG   PRO  35          HG2       PRO  35  53.910   2.125  13.952
  278   2HG   PRO  35          HG1       PRO  35  52.902   0.766  13.442
  279   1HD   PRO  35          HD2       PRO  35  55.674   0.719  13.626
  280   2HD   PRO  35          HD1       PRO  35  54.695  -0.432  12.688
  281    H    GLU  36           HN       GLU  36  56.621   2.839  12.140
  282    HA   GLU  36           HA       GLU  36  56.375   5.706  11.744
  283   1HB   GLU  36          HB2       GLU  36  58.776   4.002  12.479
  284   2HB   GLU  36          HB1       GLU  36  58.735   5.765  12.550
  285   1HG   GLU  36          HG2       GLU  36  56.821   5.634  14.124
  286   2HG   GLU  36          HG1       GLU  36  56.942   3.877  14.100
  287    H    GLU  37           HN       GLU  37  58.288   3.152  10.125
  288    HA   GLU  37           HA       GLU  37  59.368   5.084   8.203
  289   1HB   GLU  37          HB2       GLU  37  59.343   2.056   8.244
  290   2HB   GLU  37          HB1       GLU  37  60.165   3.025   7.019
  291   1HG   GLU  37          HG2       GLU  37  60.699   3.134  10.002
  292   2HG   GLU  37          HG1       GLU  37  61.723   2.332   8.810
  293    H    LYS  38           HN       LYS  38  56.739   2.844   8.483
  294    HA   LYS  38           HA       LYS  38  55.766   2.836   5.819
  295   1HB   LYS  38          HB2       LYS  38  55.025   1.464   7.940
  296   2HB   LYS  38          HB1       LYS  38  54.001   2.862   8.254
  297   1HG   LYS  38          HG2       LYS  38  53.133   2.589   5.875
  298   2HG   LYS  38          HG1       LYS  38  53.922   1.006   5.897
  299   1HD   LYS  38          HD2       LYS  38  51.935   1.919   7.994
  300   2HD   LYS  38          HD1       LYS  38  51.504   0.933   6.597
  301   1HE   LYS  38          HE2       LYS  38  53.746  -0.339   7.698
  302   2HE   LYS  38          HE1       LYS  38  52.765   0.128   9.087
  303   1HZ   LYS  38          HZ1       LYS  38  52.349  -2.045   7.511
  304   2HZ   LYS  38          HZ2       LYS  38  51.205  -0.931   6.932
  305   3HZ   LYS  38          HZ3       LYS  38  51.218  -1.363   8.574
  306    H    GLN  39           HN       GLN  39  55.457   4.899   8.608
  307    HA   GLN  39           HA       GLN  39  53.518   6.705   7.663
  308   1HB   GLN  39          HB2       GLN  39  54.412   6.651  10.011
  309   2HB   GLN  39          HB1       GLN  39  55.911   7.354   9.409
  310   1HG   GLN  39          HG2       GLN  39  54.469   9.123  10.276
  311   2HG   GLN  39          HG1       GLN  39  54.630   9.283   8.522
  312   1HE2  GLN  39          HE21      GLN  39  52.914   8.547   7.210
  313   2HE2  GLN  39          HE22      GLN  39  51.343   8.357   7.792
  314    H    ARG  40           HN       ARG  40  57.016   6.556   7.175
  315    HA   ARG  40           HA       ARG  40  57.250   9.010   5.781
  316   1HB   ARG  40          HB2       ARG  40  59.169   7.599   6.593
  317   2HB   ARG  40          HB1       ARG  40  58.847   6.496   5.258
  318   1HG   ARG  40          HG2       ARG  40  60.568   7.940   4.472
  319   2HG   ARG  40          HG1       ARG  40  59.093   8.534   3.714
  320   1HD   ARG  40          HD2       ARG  40  58.899  10.257   5.502
  321   2HD   ARG  40          HD1       ARG  40  60.403   9.671   6.204
  322    HE   ARG  40           HE       ARG  40  60.571  10.483   3.381
  323   1HH1  ARG  40          HH21      ARG  40  60.885  11.264   6.724
  324   2HH1  ARG  40          HH22      ARG  40  61.945  12.606   6.447
  325   1HH2  ARG  40          HH11      ARG  40  61.952  12.235   3.000
  326   2HH2  ARG  40          HH12      ARG  40  62.548  13.157   4.340
  327    H    HIS  41           HN       HIS  41  56.364   5.723   4.668
  328    HA   HIS  41           HA       HIS  41  56.339   6.395   1.863
  329   1HB   HIS  41          HB2       HIS  41  54.338   4.486   3.132
  330   2HB   HIS  41          HB1       HIS  41  54.899   4.510   1.473
  331    HD1  HIS  41           HD1      HIS  41  57.978   4.792   2.100
  332    HD2  HIS  41           HD2      HIS  41  55.410   2.010   3.838
  333    HE1  HIS  41           HE1      HIS  41  59.428   2.858   2.882
  334    H    LEU  42           HN       LEU  42  53.914   6.638   4.419
  335    HA   LEU  42           HA       LEU  42  51.857   7.865   2.822
  336   1HB   LEU  42          HB2       LEU  42  52.431   8.185   5.780
  337   2HB   LEU  42          HB1       LEU  42  50.912   8.577   4.996
  338    HG   LEU  42           HG       LEU  42  52.126   5.788   5.110
  339   1HD1  LEU  42          HD11      LEU  42  50.029   7.186   6.780
  340   2HD1  LEU  42          HD12      LEU  42  51.426   6.260   7.332
  341   3HD1  LEU  42          HD13      LEU  42  50.048   5.431   6.616
  342   1HD2  LEU  42          HD21      LEU  42  50.492   5.171   3.672
  343   2HD2  LEU  42          HD22      LEU  42  50.131   6.877   3.424
  344   3HD2  LEU  42          HD23      LEU  42  49.265   5.965   4.648
  345    H    ASP  43           HN       ASP  43  54.706   9.034   4.508
  346    HA   ASP  43           HA       ASP  43  54.187  11.790   4.528
  347   1HB   ASP  43          HB2       ASP  43  56.137  10.767   5.653
  348   2HB   ASP  43          HB1       ASP  43  56.899  10.553   4.075
  349    H    LYS  44           HN       LYS  44  55.111   9.747   1.924
  350    HA   LYS  44           HA       LYS  44  54.420  10.445  -0.339
  351   1HB   LYS  44          HB2       LYS  44  55.518  13.181   0.391
  352   2HB   LYS  44          HB1       LYS  44  54.879  12.707  -1.167
  353   1HG   LYS  44          HG2       LYS  44  53.211  12.728   1.385
  354   2HG   LYS  44          HG1       LYS  44  53.224  14.000   0.183
  355   1HD   LYS  44          HD2       LYS  44  52.531  12.290  -1.512
  356   2HD   LYS  44          HD1       LYS  44  52.378  11.131  -0.190
  357   1HE   LYS  44          HE2       LYS  44  51.032  13.634   0.443
  358   2HE   LYS  44          HE1       LYS  44  50.405  12.924  -1.045
  359   1HZ   LYS  44          HZ1       LYS  44  49.440  12.187   1.216
  360   2HZ   LYS  44          HZ2       LYS  44  50.839  11.230   1.321
  361   3HZ   LYS  44          HZ3       LYS  44  49.755  11.015   0.031
  362    H    LYS  45           HN       LYS  45  56.019   8.835  -0.489
  363    HA   LYS  45           HA       LYS  45  58.812   9.761  -0.826
  364   1HB   LYS  45          HB2       LYS  45  57.594   7.013  -1.051
  365   2HB   LYS  45          HB1       LYS  45  59.282   7.361  -1.421
  366   1HG   LYS  45          HG2       LYS  45  59.545   8.306   0.866
  367   2HG   LYS  45          HG1       LYS  45  57.891   7.791   1.232
  368   1HD   LYS  45          HD2       LYS  45  58.501   5.463   0.654
  369   2HD   LYS  45          HD1       LYS  45  60.152   5.992   0.337
  370   1HE   LYS  45          HE2       LYS  45  58.827   6.506   2.997
  371   2HE   LYS  45          HE1       LYS  45  59.652   4.989   2.664
  372   1HZ   LYS  45          HZ1       LYS  45  61.161   6.543   3.683
  373   2HZ   LYS  45          HZ2       LYS  45  60.850   7.695   2.473
  374   3HZ   LYS  45          HZ3       LYS  45  61.642   6.242   2.084
  375    H    GLN  46           HN       GLN  46  59.999   9.362  -2.778
  376    HA   GLN  46           HA       GLN  46  58.730  10.382  -5.078
  377   1HB   GLN  46          HB2       GLN  46  61.197   8.629  -4.845
  378   2HB   GLN  46          HB1       GLN  46  60.760   9.575  -6.271
  379   1HG   GLN  46          HG2       GLN  46  60.854  11.642  -4.946
  380   2HG   GLN  46          HG1       GLN  46  61.262  10.710  -3.505
  381   1HE2  GLN  46          HE21      GLN  46  63.230  12.287  -3.719
  382   2HE2  GLN  46          HE22      GLN  46  64.551  11.721  -4.628
  383    H    ARG  47           HN       ARG  47  59.323   7.011  -4.047
  384    HA   ARG  47           HA       ARG  47  57.139   6.157  -5.830
  385   1HB   ARG  47          HB2       ARG  47  59.947   5.053  -6.099
  386   2HB   ARG  47          HB1       ARG  47  58.524   4.356  -6.860
  387   1HG   ARG  47          HG2       ARG  47  59.481   7.192  -7.349
  388   2HG   ARG  47          HG1       ARG  47  59.883   5.827  -8.379
  389   1HD   ARG  47          HD2       ARG  47  57.430   5.427  -8.721
  390   2HD   ARG  47          HD1       ARG  47  57.105   6.912  -7.830
  391    HE   ARG  47           HE       ARG  47  57.929   6.785 -10.570
  392   1HH1  ARG  47          HH21      ARG  47  58.409   8.473  -7.600
  393   2HH1  ARG  47          HH22      ARG  47  58.894   9.948  -8.365
  394   1HH2  ARG  47          HH11      ARG  47  58.560   8.701 -11.583
  395   2HH2  ARG  47          HH12      ARG  47  58.978  10.078 -10.620
  396    H    PHE  48           HN       PHE  48  55.910   4.838  -4.568
  397    HA   PHE  48           HA       PHE  48  57.321   2.973  -2.694
  398   1HB   PHE  48          HB2       PHE  48  55.573   4.732  -1.757
  399   2HB   PHE  48          HB1       PHE  48  54.380   3.674  -2.496
  400    HD1  PHE  48           HD1      PHE  48  53.277   2.524  -0.811
  401    HD2  PHE  48           HD2      PHE  48  57.558   2.892  -0.620
  402    HE1  PHE  48           HE1      PHE  48  53.328   1.002   1.145
  403    HE2  PHE  48           HE2      PHE  48  57.598   1.362   1.322
  404    HZ   PHE  48           HZ       PHE  48  55.493   0.415   2.206
  405    H    HIS  49           HN       HIS  49  57.007   0.733  -3.356
  406    HA   HIS  49           HA       HIS  49  55.365   0.526  -5.839
  407   1HB   HIS  49          HB2       HIS  49  57.680  -1.133  -4.874
  408   2HB   HIS  49          HB1       HIS  49  56.805  -1.423  -6.374
  409    HD1  HIS  49           HD1      HIS  49  56.909   0.571  -8.174
  410    HD2  HIS  49           HD2      HIS  49  59.604   0.876  -5.011
  411    HE1  HIS  49           HE1      HIS  49  58.628   2.295  -8.865
  412    H    ASN  50           HN       ASN  50  53.801  -0.937  -6.149
  413    HA   ASN  50           HA       ASN  50  53.085  -2.706  -3.860
  414   1HB   ASN  50          HB2       ASN  50  51.356  -1.034  -4.435
  415   2HB   ASN  50          HB1       ASN  50  51.299  -1.666  -6.073
  416   1HD2  ASN  50          HD21      ASN  50  51.072  -2.916  -2.708
  417   2HD2  ASN  50          HD22      ASN  50  49.852  -4.042  -3.046
  418    H    ILE  51           HN       ILE  51  53.265  -4.820  -4.155
  419    HA   ILE  51           HA       ILE  51  53.309  -5.907  -6.942
  420    HB   ILE  51           HB       ILE  51  54.463  -7.176  -4.430
  421   1HG1  ILE  51          HG12      ILE  51  55.801  -5.237  -4.847
  422   2HG1  ILE  51          HG11      ILE  51  56.678  -6.584  -5.575
  423   1HG2  ILE  51          HG21      ILE  51  54.665  -7.820  -7.386
  424   2HG2  ILE  51          HG22      ILE  51  53.893  -8.800  -6.140
  425   3HG2  ILE  51          HG23      ILE  51  55.644  -8.593  -6.141
  426   1HD1  ILE  51          HD11      ILE  51  55.402  -5.983  -7.745
  427   2HD1  ILE  51          HD12      ILE  51  56.716  -4.919  -7.250
  428   3HD1  ILE  51          HD13      ILE  51  55.044  -4.452  -6.948
  429    H    ARG  52           HN       ARG  52  51.685  -7.490  -7.357
  430    HA   ARG  52           HA       ARG  52  49.432  -7.500  -5.638
  431   1HB   ARG  52          HB2       ARG  52  49.407  -8.163  -8.056
  432   2HB   ARG  52          HB1       ARG  52  50.184  -9.681  -7.606
  433   1HG   ARG  52          HG2       ARG  52  48.295 -10.242  -6.143
  434   2HG   ARG  52          HG1       ARG  52  47.523  -8.704  -6.529
  435   1HD   ARG  52          HD2       ARG  52  46.512 -10.396  -7.926
  436   2HD   ARG  52          HD1       ARG  52  47.537  -9.395  -8.955
  437    HE   ARG  52           HE       ARG  52  49.219 -11.448  -8.214
  438   1HH1  ARG  52          HH21      ARG  52  46.028 -11.233  -9.503
  439   2HH1  ARG  52          HH22      ARG  52  46.144 -12.714 -10.393
  440   1HH2  ARG  52          HH11      ARG  52  49.390 -13.381  -9.371
  441   2HH2  ARG  52          HH12      ARG  52  48.048 -13.931 -10.318
  442    H    GLY  53           HN       GLY  53  49.214  -8.379  -3.701
  443   1HA   GLY  53          HA2       GLY  53  49.140 -10.203  -2.154
  444   2HA   GLY  53          HA1       GLY  53  50.336 -11.054  -3.134
  445    H    ARG  54           HN       ARG  54  51.931  -8.440  -3.244
  446    HA   ARG  54           HA       ARG  54  52.927  -8.382  -0.434
  447   1HB   ARG  54          HB2       ARG  54  54.231 -10.047  -1.777
  448   2HB   ARG  54          HB1       ARG  54  54.701  -8.740  -2.865
  449   1HG   ARG  54          HG2       ARG  54  55.696  -7.532  -0.924
  450   2HG   ARG  54          HG1       ARG  54  55.310  -8.918   0.098
  451   1HD   ARG  54          HD2       ARG  54  57.088  -8.983  -2.359
  452   2HD   ARG  54          HD1       ARG  54  57.644  -9.033  -0.688
  453    HE   ARG  54           HE       ARG  54  55.741 -11.148  -1.255
  454   1HH1  ARG  54          HH21      ARG  54  59.014 -10.091  -1.515
  455   2HH1  ARG  54          HH22      ARG  54  59.665 -11.694  -1.588
  456   1HH2  ARG  54          HH11      ARG  54  56.575 -13.248  -1.354
  457   2HH2  ARG  54          HH12      ARG  54  58.286 -13.480  -1.498
  458    H    TRP  55           HN       TRP  55  53.816  -6.361   0.181
  459    HA   TRP  55           HA       TRP  55  53.660  -4.232  -1.916
  460   1HB   TRP  55          HB2       TRP  55  52.499  -4.310   0.658
  461   2HB   TRP  55          HB1       TRP  55  53.850  -3.181   0.789
  462    HD1  TRP  55           HD1      TRP  55  50.382  -3.468  -0.534
  463    HE1  TRP  55           HE1      TRP  55  49.797  -1.411  -1.984
  464    HE3  TRP  55           HE3      TRP  55  54.978  -1.308  -0.880
  465    HZ2  TRP  55           HZ2      TRP  55  51.150   0.857  -3.151
  466    HZ3  TRP  55           HZ3      TRP  55  55.274   0.812  -2.097
  467    HH2  TRP  55           HH2      TRP  55  53.405   1.868  -3.249
  468    H    THR  56           HN       THR  56  55.542  -2.917  -2.236
  469    HA   THR  56           HA       THR  56  57.879  -3.770  -0.581
  470    HB   THR  56           HB       THR  56  59.272  -3.835  -2.531
  471    HG1  THR  56           HG1      THR  56  57.015  -3.053  -4.034
  472   1HG2  THR  56          HG21      THR  56  58.159  -5.900  -2.330
  473   2HG2  THR  56          HG22      THR  56  57.872  -5.444  -4.008
  474   3HG2  THR  56          HG23      THR  56  56.607  -5.211  -2.802
  475    H    GLY  57           HN       GLY  57  59.687  -2.305  -0.561
  476   1HA   GLY  57          HA2       GLY  57  60.066   0.211  -1.463
  477   2HA   GLY  57          HA1       GLY  57  58.802   0.481  -0.261
  478    H    ARG  58           HN       ARG  58  59.298  -0.661   1.931
  479    HA   ARG  58           HA       ARG  58  61.614   0.432   3.113
  480   1HB   ARG  58          HB2       ARG  58  59.703  -0.360   4.383
  481   2HB   ARG  58          HB1       ARG  58  60.084  -2.017   3.930
  482   1HG   ARG  58          HG2       ARG  58  62.303  -1.818   4.984
  483   2HG   ARG  58          HG1       ARG  58  61.936  -0.196   5.516
  484   1HD   ARG  58          HD2       ARG  58  60.576  -2.772   6.247
  485   2HD   ARG  58          HD1       ARG  58  61.559  -1.777   7.311
  486    HE   ARG  58           HE       ARG  58  58.941  -1.460   7.460
  487   1HH1  ARG  58          HH21      ARG  58  61.187   0.666   5.893
  488   2HH1  ARG  58          HH22      ARG  58  60.054   1.953   5.779
  489   1HH2  ARG  58          HH11      ARG  58  57.497   0.268   7.316
  490   2HH2  ARG  58          HH12      ARG  58  58.016   1.746   6.592
  491    H    CYS  59           HN       CYS  59  61.083  -2.868   2.011
  492    HA   CYS  59           HA       CYS  59  63.567  -3.787   2.990
  493   1HB   CYS  59          HB2       CYS  59  61.448  -5.019   2.106
  494   2HB   CYS  59          HB1       CYS  59  62.348  -5.008   0.592
  495    H    MET  60           HN       MET  60  62.677  -2.102   0.097
  496    HA   MET  60           HA       MET  60  64.966  -2.712  -1.496
  497   1HB   MET  60          HB2       MET  60  63.419  -0.106  -1.251
  498   2HB   MET  60          HB1       MET  60  64.595  -0.453  -2.520
  499   1HG   MET  60          HG2       MET  60  63.240  -2.440  -3.180
  500   2HG   MET  60          HG1       MET  60  62.035  -1.980  -1.978
  501   1HE   MET  60          HE1       MET  60  60.000  -1.694  -3.723
  502   2HE   MET  60          HE2       MET  60  61.212  -2.543  -4.679
  503   3HE   MET  60          HE3       MET  60  60.357  -1.168  -5.373
  504    H    SER  61           HN       SER  61  64.442  -0.475   1.186
  505    HA   SER  61           HA       SER  61  67.023   0.789   1.081
  506   1HB   SER  61          HB2       SER  61  66.538   1.541   3.334
  507   2HB   SER  61          HB1       SER  61  65.042   1.618   2.407
  508    HG   SER  61           HG       SER  61  65.559  -0.799   3.639
  509    H    CYS  62           HN       CYS  62  65.830  -2.257   2.375
  510    HA   CYS  62           HA       CYS  62  68.041  -2.874   4.080
  511   1HB   CYS  62          HB2       CYS  62  66.302  -4.804   2.486
  512   2HB   CYS  62          HB1       CYS  62  67.361  -5.228   3.823
  513    H    SER  63           HN       SER  63  67.608  -2.965   0.622
  514    HA   SER  63           HA       SER  63  69.760  -4.710  -0.064
  515   1HB   SER  63          HB2       SER  63  69.665  -3.693  -2.262
  516   2HB   SER  63          HB1       SER  63  68.018  -3.826  -1.652
  517    HG   SER  63           HG       SER  63  68.467  -1.752  -2.523
  518    H    ARG  64           HN       ARG  64  69.713  -1.386   1.023
  519    HA   ARG  64           HA       ARG  64  72.255  -0.518   0.121
  520   1HB   ARG  64          HB2       ARG  64  70.817   0.107   2.719
  521   2HB   ARG  64          HB1       ARG  64  72.208   0.999   2.104
  522   1HG   ARG  64          HG2       ARG  64  70.930   1.531   0.042
  523   2HG   ARG  64          HG1       ARG  64  69.530   0.696   0.716
  524   1HD   ARG  64          HD2       ARG  64  69.259   3.057   1.161
  525   2HD   ARG  64          HD1       ARG  64  69.644   2.263   2.688
  526    HE   ARG  64           HE       ARG  64  71.785   3.325   2.662
  527   1HH1  ARG  64          HH21      ARG  64  69.951   3.804  -0.217
  528   2HH1  ARG  64          HH22      ARG  64  70.982   5.057  -0.824
  529   1HH2  ARG  64          HH11      ARG  64  73.143   4.954   1.886
  530   2HH2  ARG  64          HH12      ARG  64  72.789   5.707   0.367
  531    H    SER  65           HN       SER  65  71.355  -2.551   2.873
  532    HA   SER  65           HA       SER  65  73.897  -2.575   4.173
  533   1HB   SER  65          HB2       SER  65  73.110  -4.576   5.293
  534   2HB   SER  65          HB1       SER  65  71.745  -3.475   5.125
  535    HG   SER  65           HG       SER  65  72.391  -5.716   3.503
  536    H    SER  66           HN       SER  66  72.697  -4.212   1.325
  537    HA   SER  66           HA       SER  66  74.626  -6.308   1.169
  538   1HB   SER  66          HB2       SER  66  74.032  -6.448  -1.176
  539   2HB   SER  66          HB1       SER  66  72.568  -6.098  -0.263
  540    HG   SER  66           HG       SER  66  73.462  -4.753  -2.267
  541    H    ARG  67           HN       ARG  67  74.832  -2.883   0.471
  542    HA   ARG  67           HA       ARG  67  77.532  -3.281  -0.722
  543   1HB   ARG  67          HB2       ARG  67  75.753  -0.827  -0.596
  544   2HB   ARG  67          HB1       ARG  67  77.353  -0.869  -1.337
  545   1HG   ARG  67          HG2       ARG  67  76.546  -2.695  -2.851
  546   2HG   ARG  67          HG1       ARG  67  74.930  -2.492  -2.173
  547   1HD   ARG  67          HD2       ARG  67  76.538  -0.381  -3.641
  548   2HD   ARG  67          HD1       ARG  67  75.102  -1.210  -4.245
  549    HE   ARG  67           HE       ARG  67  74.090  -0.095  -2.011
  550   1HH1  ARG  67          HH21      ARG  67  76.260   1.116  -4.400
  551   2HH1  ARG  67          HH22      ARG  67  75.766   2.765  -4.208
  552   1HH2  ARG  67          HH11      ARG  67  73.431   2.055  -1.745
  553   2HH2  ARG  67          HH12      ARG  67  74.164   3.297  -2.705
  Start of MODEL    7
    1    H    ALA   1           HT1      ALA   1  56.844  -5.755  -7.632
    2    HA   ALA   1           HA       ALA   1  55.469  -4.037  -6.625
    3   1HB   ALA   1          HB1       ALA   1  57.599  -2.254  -7.275
    4   2HB   ALA   1          HB2       ALA   1  58.262  -3.887  -7.272
    5   3HB   ALA   1          HB3       ALA   1  57.440  -3.270  -5.841
    6    H    MET   2           HN       MET   2  56.536  -3.414  -9.889
    7    HA   MET   2           HA       MET   2  55.495  -0.811 -10.269
    8   1HB   MET   2          HB2       MET   2  55.835  -3.094 -12.229
    9   2HB   MET   2          HB1       MET   2  55.466  -1.434 -12.695
   10   1HG   MET   2          HG2       MET   2  57.543  -0.697 -11.497
   11   2HG   MET   2          HG1       MET   2  57.934  -2.394 -11.219
   12   1HE   MET   2          HE1       MET   2  57.940   0.008 -15.084
   13   2HE   MET   2          HE2       MET   2  57.377   0.460 -13.477
   14   3HE   MET   2          HE3       MET   2  56.364  -0.549 -14.505
   15    H    SER   3           HN       SER   3  53.821  -3.946 -10.336
   16    HA   SER   3           HA       SER   3  51.552  -3.208 -11.802
   17   1HB   SER   3          HB2       SER   3  51.549  -4.880  -9.274
   18   2HB   SER   3          HB1       SER   3  50.333  -4.913 -10.549
   19    HG   SER   3           HG       SER   3  51.678  -5.986 -11.815
   20    H    TYR   4           HN       TYR   4  52.122  -2.591  -8.277
   21    HA   TYR   4           HA       TYR   4  50.228  -0.350  -8.617
   22   1HB   TYR   4          HB2       TYR   4  48.838  -2.290  -7.879
   23   2HB   TYR   4          HB1       TYR   4  49.797  -2.370  -6.405
   24    HD1  TYR   4           HD1      TYR   4  49.564  -0.666  -4.658
   25    HD2  TYR   4           HD2      TYR   4  47.462  -0.339  -8.384
   26    HE1  TYR   4           HE1      TYR   4  48.170   1.136  -3.707
   27    HE2  TYR   4           HE2      TYR   4  46.064   1.470  -7.436
   28    HH   TYR   4           HH       TYR   4  46.524   3.263  -5.376
   29    H    SER   5           HN       SER   5  50.792   1.412  -7.309
   30    HA   SER   5           HA       SER   5  52.571   0.948  -5.010
   31   1HB   SER   5          HB2       SER   5  54.380   2.320  -5.839
   32   2HB   SER   5          HB1       SER   5  54.061   1.023  -6.982
   33    HG   SER   5           HG       SER   5  54.281   3.290  -7.797
   34    H    LEU   6           HN       LEU   6  52.996   2.950  -3.780
   35    HA   LEU   6           HA       LEU   6  50.775   4.921  -4.183
   36   1HB   LEU   6          HB2       LEU   6  52.294   4.235  -1.651
   37   2HB   LEU   6          HB1       LEU   6  50.942   5.362  -1.774
   38    HG   LEU   6           HG       LEU   6  50.841   2.398  -2.404
   39   1HD1  LEU   6          HD11      LEU   6  50.710   3.732   0.066
   40   2HD1  LEU   6          HD12      LEU   6  50.211   2.074  -0.263
   41   3HD1  LEU   6          HD13      LEU   6  49.034   3.382  -0.357
   42   1HD2  LEU   6          HD21      LEU   6  49.168   3.169  -3.769
   43   2HD2  LEU   6          HD22      LEU   6  49.004   4.684  -2.881
   44   3HD2  LEU   6          HD23      LEU   6  48.266   3.210  -2.254
   45    H    TYR   7           HN       TYR   7  51.353   7.078  -4.461
   46    HA   TYR   7           HA       TYR   7  54.249   7.695  -4.119
   47   1HB   TYR   7          HB2       TYR   7  53.581   7.497  -6.522
   48   2HB   TYR   7          HB1       TYR   7  52.461   8.840  -6.276
   49    HD1  TYR   7           HD1      TYR   7  53.243  11.105  -6.139
   50    HD2  TYR   7           HD2      TYR   7  56.032   7.840  -6.152
   51    HE1  TYR   7           HE1      TYR   7  55.120  12.707  -6.403
   52    HE2  TYR   7           HE2      TYR   7  57.907   9.437  -6.419
   53    HH   TYR   7           HH       TYR   7  57.323  12.954  -6.519
   54    H    GLY   8           HN       GLY   8  51.257   8.362  -2.863
   55   1HA   GLY   8          HA2       GLY   8  51.006  10.090  -1.157
   56   2HA   GLY   8          HA1       GLY   8  52.223  11.049  -1.995
   57    H    THR   9           HN       THR   9  50.214   9.672  -4.232
   58    HA   THR   9           HA       THR   9  48.924  12.215  -4.848
   59    HB   THR   9           HB       THR   9  48.007  11.081  -6.757
   60    HG1  THR   9           HG1      THR   9  48.612   8.743  -5.284
   61   1HG2  THR   9          HG21      THR   9  49.995  10.784  -7.776
   62   2HG2  THR   9          HG22      THR   9  50.389   9.400  -6.757
   63   3HG2  THR   9          HG23      THR   9  50.731  11.036  -6.194
   64    H    THR  10           HN       THR  10  46.390  12.125  -5.099
   65    HA   THR  10           HA       THR  10  45.298  11.647  -2.537
   66    HB   THR  10           HB       THR  10  43.110  11.932  -3.575
   67    HG1  THR  10           HG1      THR  10  43.826  10.496  -5.395
   68   1HG2  THR  10          HG21      THR  10  43.973  13.850  -5.320
   69   2HG2  THR  10          HG22      THR  10  45.410  13.621  -4.324
   70   3HG2  THR  10          HG23      THR  10  43.878  14.070  -3.573
   71    H    LEU  11           HN       LEU  11  46.075   9.491  -5.085
   72    HA   LEU  11           HA       LEU  11  44.248   7.367  -4.653
   73   1HB   LEU  11          HB2       LEU  11  47.158   7.238  -5.418
   74   2HB   LEU  11          HB1       LEU  11  45.969   5.960  -5.681
   75    HG   LEU  11           HG       LEU  11  45.943   8.732  -6.911
   76   1HD1  LEU  11          HD11      LEU  11  47.527   7.084  -7.908
   77   2HD1  LEU  11          HD12      LEU  11  46.226   7.518  -9.018
   78   3HD1  LEU  11          HD13      LEU  11  46.177   5.977  -8.161
   79   1HD2  LEU  11          HD21      LEU  11  43.970   7.584  -8.201
   80   2HD2  LEU  11          HD22      LEU  11  43.665   8.256  -6.599
   81   3HD2  LEU  11          HD23      LEU  11  43.904   6.520  -6.796
   82    H    GLU  12           HN       GLU  12  47.340   8.073  -3.105
   83    HA   GLU  12           HA       GLU  12  47.482   5.672  -1.577
   84   1HB   GLU  12          HB2       GLU  12  49.410   7.181  -1.984
   85   2HB   GLU  12          HB1       GLU  12  48.686   8.359  -0.885
   86   1HG   GLU  12          HG2       GLU  12  48.695   6.657   0.918
   87   2HG   GLU  12          HG1       GLU  12  49.480   5.522  -0.174
   88    H    GLN  13           HN       GLN  13  45.795   8.688  -0.966
   89    HA   GLN  13           HA       GLN  13  45.548   8.513   1.825
   90   1HB   GLN  13          HB2       GLN  13  43.396   9.452  -0.091
   91   2HB   GLN  13          HB1       GLN  13  43.584   9.925   1.600
   92   1HG   GLN  13          HG2       GLN  13  45.434  10.535  -0.705
   93   2HG   GLN  13          HG1       GLN  13  44.562  11.687   0.307
   94   1HE2  GLN  13          HE21      GLN  13  47.578  10.596  -0.216
   95   2HE2  GLN  13          HE22      GLN  13  48.236  10.684   1.339
   96    H    GLN  14           HN       GLN  14  43.545   6.883  -0.666
   97    HA   GLN  14           HA       GLN  14  41.637   5.829   1.197
   98   1HB   GLN  14          HB2       GLN  14  42.629   4.688  -1.435
   99   2HB   GLN  14          HB1       GLN  14  41.212   4.105  -0.557
  100   1HG   GLN  14          HG2       GLN  14  40.187   6.331  -0.713
  101   2HG   GLN  14          HG1       GLN  14  41.600   6.933  -1.574
  102   1HE2  GLN  14          HE21      GLN  14  39.050   7.025  -2.825
  103   2HE2  GLN  14          HE22      GLN  14  39.026   5.915  -4.110
  104    H    TYR  15           HN       TYR  15  44.762   4.699   0.052
  105    HA   TYR  15           HA       TYR  15  44.755   2.183   1.448
  106   1HB   TYR  15          HB2       TYR  15  46.982   3.913   0.350
  107   2HB   TYR  15          HB1       TYR  15  47.260   2.333   1.082
  108    HD1  TYR  15           HD1      TYR  15  47.388   0.537  -0.357
  109    HD2  TYR  15           HD2      TYR  15  44.911   3.874  -1.430
  110    HE1  TYR  15           HE1      TYR  15  46.778  -0.609  -2.460
  111    HE2  TYR  15           HE2      TYR  15  44.306   2.736  -3.551
  112    HH   TYR  15           HH       TYR  15  44.833  -0.519  -4.104
  113    H    ASN  16           HN       ASN  16  45.597   5.463   2.375
  114    HA   ASN  16           HA       ASN  16  47.293   4.975   4.551
  115   1HB   ASN  16          HB2       ASN  16  46.597   7.218   3.612
  116   2HB   ASN  16          HB1       ASN  16  45.118   7.073   4.564
  117   1HD2  ASN  16          HD21      ASN  16  46.568   9.202   5.334
  118   2HD2  ASN  16          HD22      ASN  16  47.458   8.901   6.749
  119    H    LYS  17           HN       LYS  17  43.709   4.844   4.589
  120    HA   LYS  17           HA       LYS  17  43.603   4.468   7.431
  121   1HB   LYS  17          HB2       LYS  17  41.363   3.118   6.343
  122   2HB   LYS  17          HB1       LYS  17  41.421   4.715   7.062
  123   1HG   LYS  17          HG2       LYS  17  41.521   5.803   5.025
  124   2HG   LYS  17          HG1       LYS  17  42.285   4.450   4.203
  125   1HD   LYS  17          HD2       LYS  17  40.301   3.488   3.672
  126   2HD   LYS  17          HD1       LYS  17  39.604   3.847   5.252
  127   1HE   LYS  17          HE2       LYS  17  39.964   5.826   2.987
  128   2HE   LYS  17          HE1       LYS  17  38.438   5.090   3.479
  129   1HZ   LYS  17          HZ1       LYS  17  38.220   6.704   4.960
  130   2HZ   LYS  17          HZ2       LYS  17  39.747   7.338   4.568
  131   3HZ   LYS  17          HZ3       LYS  17  39.602   6.140   5.765
  132    HA   PRO  18           HA       PRO  18  43.590  -0.225   6.735
  133   1HB   PRO  18          HB2       PRO  18  43.340  -1.324   4.310
  134   2HB   PRO  18          HB1       PRO  18  41.939  -0.586   5.116
  135   1HG   PRO  18          HG2       PRO  18  43.697   0.528   2.976
  136   2HG   PRO  18          HG1       PRO  18  41.930   0.578   3.123
  137   1HD   PRO  18          HD2       PRO  18  43.597   2.660   3.862
  138   2HD   PRO  18          HD1       PRO  18  41.969   2.386   4.505
  139    H    LEU  19           HN       LEU  19  45.849   1.764   5.233
  140    HA   LEU  19           HA       LEU  19  47.491   0.137   3.719
  141   1HB   LEU  19          HB2       LEU  19  48.032   2.512   4.268
  142   2HB   LEU  19          HB1       LEU  19  48.529   1.997   5.879
  143    HG   LEU  19           HG       LEU  19  50.161   0.414   4.764
  144   1HD1  LEU  19          HD11      LEU  19  49.076   1.886   2.371
  145   2HD1  LEU  19          HD12      LEU  19  49.360   0.158   2.567
  146   3HD1  LEU  19          HD13      LEU  19  50.723   1.258   2.358
  147   1HD2  LEU  19          HD21      LEU  19  50.709   2.754   5.645
  148   2HD2  LEU  19          HD22      LEU  19  50.599   3.303   3.973
  149   3HD2  LEU  19          HD23      LEU  19  51.816   2.113   4.431
  150    H    SER  20           HN       SER  20  47.520   0.222   7.335
  151    HA   SER  20           HA       SER  20  49.477  -1.907   7.470
  152   1HB   SER  20          HB2       SER  20  48.836  -2.102   9.807
  153   2HB   SER  20          HB1       SER  20  48.863  -0.389   9.398
  154    HG   SER  20           HG       SER  20  46.877  -1.711  10.421
  155    H    ASP  21           HN       ASP  21  45.985  -1.704   7.260
  156    HA   ASP  21           HA       ASP  21  45.362  -4.468   7.670
  157   1HB   ASP  21          HB2       ASP  21  43.909  -2.296   6.149
  158   2HB   ASP  21          HB1       ASP  21  43.223  -3.874   6.499
  159    H    LEU  22           HN       LEU  22  46.163  -2.621   4.741
  160    HA   LEU  22           HA       LEU  22  45.439  -4.577   2.832
  161   1HB   LEU  22          HB2       LEU  22  47.750  -2.622   2.675
  162   2HB   LEU  22          HB1       LEU  22  46.981  -3.429   1.309
  163    HG   LEU  22           HG       LEU  22  45.706  -1.442   3.193
  164   1HD1  LEU  22          HD11      LEU  22  46.906  -0.230   1.606
  165   2HD1  LEU  22          HD12      LEU  22  45.296  -0.328   0.890
  166   3HD1  LEU  22          HD13      LEU  22  46.582  -1.398   0.326
  167   1HD2  LEU  22          HD21      LEU  22  44.547  -3.305   1.144
  168   2HD2  LEU  22          HD22      LEU  22  43.769  -1.758   1.487
  169   3HD2  LEU  22          HD23      LEU  22  43.967  -2.949   2.771
  170    H    LEU  23           HN       LEU  23  48.445  -4.212   4.652
  171    HA   LEU  23           HA       LEU  23  49.578  -6.374   5.286
  172   1HB   LEU  23          HB2       LEU  23  50.205  -7.932   3.531
  173   2HB   LEU  23          HB1       LEU  23  48.467  -7.702   3.465
  174    HG   LEU  23           HG       LEU  23  49.383  -5.689   1.802
  175   1HD1  LEU  23          HD11      LEU  23  51.262  -6.308   0.621
  176   2HD1  LEU  23          HD12      LEU  23  50.982  -8.030   0.873
  177   3HD1  LEU  23          HD13      LEU  23  51.665  -7.050   2.170
  178   1HD2  LEU  23          HD21      LEU  23  49.081  -8.083   0.218
  179   2HD2  LEU  23          HD22      LEU  23  47.968  -6.729   0.398
  180   3HD2  LEU  23          HD23      LEU  23  47.887  -8.088   1.513
  181    H    ILE  24           HN       ILE  24  51.382  -5.163   5.877
  182    HA   ILE  24           HA       ILE  24  52.997  -4.056   3.606
  183    HB   ILE  24           HB       ILE  24  52.933  -3.113   6.489
  184   1HG1  ILE  24          HG12      ILE  24  50.776  -2.617   5.463
  185   2HG1  ILE  24          HG11      ILE  24  51.721  -1.126   5.495
  186   1HG2  ILE  24          HG21      ILE  24  53.852  -1.220   4.502
  187   2HG2  ILE  24          HG22      ILE  24  54.797  -2.707   4.413
  188   3HG2  ILE  24          HG23      ILE  24  54.686  -1.822   5.933
  189   1HD1  ILE  24          HD11      ILE  24  50.992  -2.863   3.170
  190   2HD1  ILE  24          HD12      ILE  24  52.515  -1.973   3.112
  191   3HD1  ILE  24          HD13      ILE  24  50.994  -1.104   3.301
  192    H    ARG  25           HN       ARG  25  54.943  -5.062   3.316
  193    HA   ARG  25           HA       ARG  25  56.456  -6.050   5.645
  194   1HB   ARG  25          HB2       ARG  25  55.535  -7.905   3.446
  195   2HB   ARG  25          HB1       ARG  25  56.790  -8.298   4.611
  196   1HG   ARG  25          HG2       ARG  25  55.126  -7.913   6.446
  197   2HG   ARG  25          HG1       ARG  25  53.881  -7.716   5.204
  198   1HD   ARG  25          HD2       ARG  25  55.619 -10.160   5.625
  199   2HD   ARG  25          HD1       ARG  25  53.911 -10.048   5.960
  200    HE   ARG  25           HE       ARG  25  54.448  -9.388   3.206
  201   1HH1  ARG  25          HH21      ARG  25  54.158 -11.948   5.500
  202   2HH1  ARG  25          HH22      ARG  25  53.688 -13.128   4.322
  203   1HH2  ARG  25          HH11      ARG  25  53.837 -10.916   1.656
  204   2HH2  ARG  25          HH12      ARG  25  53.506 -12.544   2.147
  205    H    CYS  26           HN       CYS  26  58.536  -7.090   4.910
  206    HA   CYS  26           HA       CYS  26  59.898  -5.442   2.889
  207   1HB   CYS  26          HB2       CYS  26  60.591  -6.907   5.227
  208   2HB   CYS  26          HB1       CYS  26  61.397  -7.686   3.897
  209    H    ILE  27           HN       ILE  27  60.645  -6.424   0.893
  210    HA   ILE  27           HA       ILE  27  59.061  -8.726   0.098
  211    HB   ILE  27           HB       ILE  27  59.834  -8.318  -2.055
  212   1HG1  ILE  27          HG12      ILE  27  62.227  -6.921  -0.882
  213   2HG1  ILE  27          HG11      ILE  27  62.258  -8.535  -1.561
  214   1HG2  ILE  27          HG21      ILE  27  58.715  -6.330  -0.843
  215   2HG2  ILE  27          HG22      ILE  27  59.516  -6.013  -2.381
  216   3HG2  ILE  27          HG23      ILE  27  60.320  -5.603  -0.866
  217   1HD1  ILE  27          HD11      ILE  27  62.150  -5.911  -2.913
  218   2HD1  ILE  27          HD12      ILE  27  61.110  -7.163  -3.596
  219   3HD1  ILE  27          HD13      ILE  27  62.847  -7.435  -3.463
  220    H    ASN  28           HN       ASN  28  62.117  -8.280   1.611
  221    HA   ASN  28           HA       ASN  28  62.663 -11.191   1.173
  222   1HB   ASN  28          HB2       ASN  28  64.787 -10.885   0.374
  223   2HB   ASN  28          HB1       ASN  28  64.127  -9.342  -0.150
  224   1HD2  ASN  28          HD21      ASN  28  65.283  -7.534   0.553
  225   2HD2  ASN  28          HD22      ASN  28  66.343  -7.513   1.878
  226    H    CYS  29           HN       CYS  29  61.769  -9.130   3.371
  227    HA   CYS  29           HA       CYS  29  63.046 -10.573   5.574
  228   1HB   CYS  29          HB2       CYS  29  63.314  -7.642   5.912
  229   2HB   CYS  29          HB1       CYS  29  64.415  -8.935   6.396
  230    H    GLN  30           HN       GLN  30  60.600 -10.806   5.107
  231    HA   GLN  30           HA       GLN  30  58.492  -9.257   5.528
  232   1HB   GLN  30          HB2       GLN  30  58.874 -11.806   7.097
  233   2HB   GLN  30          HB1       GLN  30  57.340 -11.096   6.588
  234   1HG   GLN  30          HG2       GLN  30  59.537 -12.121   4.778
  235   2HG   GLN  30          HG1       GLN  30  57.961 -12.842   5.029
  236   1HE2  GLN  30          HE21      GLN  30  59.628 -10.900   2.968
  237   2HE2  GLN  30          HE22      GLN  30  58.366 -10.056   2.241
  238    H    LYS  31           HN       LYS  31  61.002  -9.319   7.856
  239    HA   LYS  31           HA       LYS  31  59.706  -9.015  10.298
  240   1HB   LYS  31          HB2       LYS  31  61.798  -7.078   9.248
  241   2HB   LYS  31          HB1       LYS  31  61.456  -7.445  10.939
  242   1HG   LYS  31          HG2       LYS  31  62.205  -9.739  10.649
  243   2HG   LYS  31          HG1       LYS  31  62.414  -9.488   8.916
  244   1HD   LYS  31          HD2       LYS  31  64.294  -8.123   9.206
  245   2HD   LYS  31          HD1       LYS  31  63.867  -7.725  10.871
  246   1HE   LYS  31          HE2       LYS  31  65.797  -9.451  10.410
  247   2HE   LYS  31          HE1       LYS  31  64.637  -9.767  11.699
  248   1HZ   LYS  31          HZ1       LYS  31  64.235 -11.675  10.665
  249   2HZ   LYS  31          HZ2       LYS  31  65.088 -11.204   9.272
  250   3HZ   LYS  31          HZ3       LYS  31  63.453 -10.777   9.458
  251    HA   PRO  32           HA       PRO  32  56.461  -6.204   8.971
  252   1HB   PRO  32          HB2       PRO  32  56.385  -5.602  11.892
  253   2HB   PRO  32          HB1       PRO  32  55.062  -6.030  10.791
  254   1HG   PRO  32          HG2       PRO  32  56.081  -7.783  12.528
  255   2HG   PRO  32          HG1       PRO  32  55.484  -8.271  10.935
  256   1HD   PRO  32          HD2       PRO  32  58.285  -8.092  11.911
  257   2HD   PRO  32          HD1       PRO  32  57.592  -9.102  10.623
  258    H    LEU  33           HN       LEU  33  56.222  -4.003   8.638
  259    HA   LEU  33           HA       LEU  33  58.568  -2.336   9.183
  260   1HB   LEU  33          HB2       LEU  33  55.992  -1.871   7.682
  261   2HB   LEU  33          HB1       LEU  33  57.142  -0.570   7.986
  262    HG   LEU  33           HG       LEU  33  58.908  -1.937   6.893
  263   1HD1  LEU  33          HD11      LEU  33  56.576  -3.715   6.112
  264   2HD1  LEU  33          HD12      LEU  33  57.888  -4.176   7.189
  265   3HD1  LEU  33          HD13      LEU  33  58.220  -3.866   5.482
  266   1HD2  LEU  33          HD21      LEU  33  58.274  -0.528   5.250
  267   2HD2  LEU  33          HD22      LEU  33  56.560  -0.779   5.575
  268   3HD2  LEU  33          HD23      LEU  33  57.445  -1.925   4.560
  269    H    SER  34           HN       SER  34  58.721  -0.784  10.586
  270    HA   SER  34           HA       SER  34  56.861  -0.695  12.785
  271   1HB   SER  34          HB2       SER  34  58.401   1.557  13.062
  272   2HB   SER  34          HB1       SER  34  58.903  -0.026  13.647
  273    HG   SER  34           HG       SER  34  59.392   0.329  10.989
  274    HA   PRO  35           HA       PRO  35  54.211   1.789  10.455
  275   1HB   PRO  35          HB2       PRO  35  53.569   3.443  12.758
  276   2HB   PRO  35          HB1       PRO  35  52.561   2.342  11.817
  277   1HG   PRO  35          HG2       PRO  35  53.538   1.888  14.381
  278   2HG   PRO  35          HG1       PRO  35  52.769   0.713  13.304
  279   1HD   PRO  35          HD2       PRO  35  55.563   0.889  14.077
  280   2HD   PRO  35          HD1       PRO  35  54.742  -0.376  13.138
  281    H    GLU  36           HN       GLU  36  56.853   2.936  12.329
  282    HA   GLU  36           HA       GLU  36  56.757   5.709  11.552
  283   1HB   GLU  36          HB2       GLU  36  59.094   3.943  12.326
  284   2HB   GLU  36          HB1       GLU  36  59.196   5.692  12.121
  285   1HG   GLU  36          HG2       GLU  36  57.364   4.260  14.070
  286   2HG   GLU  36          HG1       GLU  36  58.864   5.084  14.498
  287    H    GLU  37           HN       GLU  37  58.377   2.829  10.021
  288    HA   GLU  37           HA       GLU  37  59.393   4.512   7.857
  289   1HB   GLU  37          HB2       GLU  37  59.023   1.503   8.045
  290   2HB   GLU  37          HB1       GLU  37  59.836   2.331   6.715
  291   1HG   GLU  37          HG2       GLU  37  61.448   3.302   8.347
  292   2HG   GLU  37          HG1       GLU  37  60.672   2.373   9.629
  293    H    LYS  38           HN       LYS  38  56.635   2.531   8.556
  294    HA   LYS  38           HA       LYS  38  55.377   2.528   6.015
  295   1HB   LYS  38          HB2       LYS  38  54.799   1.256   8.246
  296   2HB   LYS  38          HB1       LYS  38  53.898   2.724   8.623
  297   1HG   LYS  38          HG2       LYS  38  52.794   2.457   6.351
  298   2HG   LYS  38          HG1       LYS  38  53.479   0.831   6.343
  299   1HD   LYS  38          HD2       LYS  38  51.753   1.910   8.588
  300   2HD   LYS  38          HD1       LYS  38  51.124   0.946   7.252
  301   1HE   LYS  38          HE2       LYS  38  52.976   0.121   9.468
  302   2HE   LYS  38          HE1       LYS  38  51.536  -0.695   8.861
  303   1HZ   LYS  38          HZ1       LYS  38  52.846  -0.986   6.731
  304   2HZ   LYS  38          HZ2       LYS  38  53.328  -1.931   8.058
  305   3HZ   LYS  38          HZ3       LYS  38  54.219  -0.550   7.625
  306    H    GLN  39           HN       GLN  39  55.455   4.636   8.787
  307    HA   GLN  39           HA       GLN  39  53.590   6.571   7.919
  308   1HB   GLN  39          HB2       GLN  39  54.538   6.438  10.241
  309   2HB   GLN  39          HB1       GLN  39  56.065   7.058   9.604
  310   1HG   GLN  39          HG2       GLN  39  54.746   8.915  10.489
  311   2HG   GLN  39          HG1       GLN  39  54.840   9.049   8.727
  312   1HE2  GLN  39          HE21      GLN  39  53.009   8.381   7.488
  313   2HE2  GLN  39          HE22      GLN  39  51.462   8.257   8.153
  314    H    ARG  40           HN       ARG  40  57.046   6.155   7.301
  315    HA   ARG  40           HA       ARG  40  57.453   8.622   5.952
  316   1HB   ARG  40          HB2       ARG  40  58.763   5.928   5.486
  317   2HB   ARG  40          HB1       ARG  40  59.340   7.452   4.814
  318   1HG   ARG  40          HG2       ARG  40  59.567   8.353   7.122
  319   2HG   ARG  40          HG1       ARG  40  59.079   6.781   7.760
  320   1HD   ARG  40          HD2       ARG  40  61.491   6.850   7.781
  321   2HD   ARG  40          HD1       ARG  40  61.005   5.764   6.479
  322    HE   ARG  40           HE       ARG  40  61.313   8.433   5.458
  323   1HH1  ARG  40          HH21      ARG  40  63.039   5.692   6.643
  324   2HH1  ARG  40          HH22      ARG  40  64.460   6.016   5.709
  325   1HH2  ARG  40          HH11      ARG  40  63.160   8.871   4.232
  326   2HH2  ARG  40          HH12      ARG  40  64.529   7.815   4.344
  327    H    HIS  41           HN       HIS  41  56.184   5.477   4.819
  328    HA   HIS  41           HA       HIS  41  56.114   6.249   2.037
  329   1HB   HIS  41          HB2       HIS  41  54.135   4.346   3.318
  330   2HB   HIS  41          HB1       HIS  41  54.665   4.395   1.643
  331    HD1  HIS  41           HD1      HIS  41  57.728   4.682   2.142
  332    HD2  HIS  41           HD2      HIS  41  55.267   1.888   4.011
  333    HE1  HIS  41           HE1      HIS  41  59.243   2.821   2.953
  334    H    LEU  42           HN       LEU  42  53.760   6.472   4.654
  335    HA   LEU  42           HA       LEU  42  51.707   7.779   3.120
  336   1HB   LEU  42          HB2       LEU  42  52.327   8.032   6.071
  337   2HB   LEU  42          HB1       LEU  42  50.787   8.397   5.302
  338    HG   LEU  42           HG       LEU  42  52.126   5.679   5.452
  339   1HD1  LEU  42          HD11      LEU  42  50.023   5.124   6.732
  340   2HD1  LEU  42          HD12      LEU  42  49.643   6.847   6.738
  341   3HD1  LEU  42          HD13      LEU  42  51.092   6.262   7.555
  342   1HD2  LEU  42          HD21      LEU  42  49.634   5.180   4.545
  343   2HD2  LEU  42          HD22      LEU  42  51.004   5.434   3.464
  344   3HD2  LEU  42          HD23      LEU  42  49.892   6.761   3.808
  345    H    ASP  43           HN       ASP  43  54.546   8.893   4.854
  346    HA   ASP  43           HA       ASP  43  54.051  11.677   4.875
  347   1HB   ASP  43          HB2       ASP  43  56.664  10.170   4.695
  348   2HB   ASP  43          HB1       ASP  43  56.539  11.897   5.009
  349    H    LYS  44           HN       LYS  44  55.398   9.546   2.467
  350    HA   LYS  44           HA       LYS  44  54.798  10.254   0.098
  351   1HB   LYS  44          HB2       LYS  44  54.603  12.656   0.661
  352   2HB   LYS  44          HB1       LYS  44  56.345  12.727   0.945
  353   1HG   LYS  44          HG2       LYS  44  55.993  13.525  -1.274
  354   2HG   LYS  44          HG1       LYS  44  56.577  11.869  -1.465
  355   1HD   LYS  44          HD2       LYS  44  54.387  11.032  -1.847
  356   2HD   LYS  44          HD1       LYS  44  53.642  12.539  -1.314
  357   1HE   LYS  44          HE2       LYS  44  54.894  13.640  -3.278
  358   2HE   LYS  44          HE1       LYS  44  55.207  12.002  -3.851
  359   1HZ   LYS  44          HZ1       LYS  44  52.488  12.269  -3.148
  360   2HZ   LYS  44          HZ2       LYS  44  53.166  11.893  -4.658
  361   3HZ   LYS  44          HZ3       LYS  44  52.912  13.514  -4.220
  362    H    LYS  45           HN       LYS  45  56.233   8.302   0.591
  363    HA   LYS  45           HA       LYS  45  59.117   8.683   0.471
  364   1HB   LYS  45          HB2       LYS  45  58.056   6.603   1.373
  365   2HB   LYS  45          HB1       LYS  45  57.560   6.192  -0.272
  366   1HG   LYS  45          HG2       LYS  45  59.958   6.297  -0.964
  367   2HG   LYS  45          HG1       LYS  45  60.398   6.591   0.719
  368   1HD   LYS  45          HD2       LYS  45  59.280   4.444   1.348
  369   2HD   LYS  45          HD1       LYS  45  58.999   4.130  -0.365
  370   1HE   LYS  45          HE2       LYS  45  61.752   4.833  -0.028
  371   2HE   LYS  45          HE1       LYS  45  61.353   3.588   1.154
  372   1HZ   LYS  45          HZ1       LYS  45  61.464   2.120  -0.483
  373   2HZ   LYS  45          HZ2       LYS  45  61.676   3.341  -1.645
  374   3HZ   LYS  45          HZ3       LYS  45  60.112   2.849  -1.203
  375    H    GLN  46           HN       GLN  46  60.442   8.638  -1.344
  376    HA   GLN  46           HA       GLN  46  59.375   9.555  -3.792
  377   1HB   GLN  46          HB2       GLN  46  61.970   8.084  -3.253
  378   2HB   GLN  46          HB1       GLN  46  61.594   8.942  -4.749
  379   1HG   GLN  46          HG2       GLN  46  61.326  11.038  -3.509
  380   2HG   GLN  46          HG1       GLN  46  61.642  10.196  -1.990
  381   1HE2  GLN  46          HE21      GLN  46  63.340  12.284  -2.642
  382   2HE2  GLN  46          HE22      GLN  46  64.860  11.690  -3.111
  383    H    ARG  47           HN       ARG  47  60.066   6.201  -2.717
  384    HA   ARG  47           HA       ARG  47  58.337   5.295  -4.945
  385   1HB   ARG  47          HB2       ARG  47  61.163   4.281  -4.542
  386   2HB   ARG  47          HB1       ARG  47  59.993   3.585  -5.654
  387   1HG   ARG  47          HG2       ARG  47  60.937   6.460  -5.788
  388   2HG   ARG  47          HG1       ARG  47  61.631   5.155  -6.738
  389   1HD   ARG  47          HD2       ARG  47  59.376   4.706  -7.712
  390   2HD   ARG  47          HD1       ARG  47  58.751   6.106  -6.851
  391    HE   ARG  47           HE       ARG  47  60.214   6.214  -9.297
  392   1HH1  ARG  47          HH21      ARG  47  59.889   7.696  -6.200
  393   2HH1  ARG  47          HH22      ARG  47  60.485   9.234  -6.727
  394   1HH2  ARG  47          HH11      ARG  47  60.993   8.218 -10.002
  395   2HH2  ARG  47          HH12      ARG  47  61.105   9.531  -8.878
  396    H    PHE  48           HN       PHE  48  56.822   4.486  -3.406
  397    HA   PHE  48           HA       PHE  48  57.821   2.149  -1.804
  398   1HB   PHE  48          HB2       PHE  48  56.692   4.090  -0.534
  399   2HB   PHE  48          HB1       PHE  48  55.217   3.672  -1.393
  400    HD1  PHE  48           HD1      PHE  48  53.733   2.220  -0.361
  401    HD2  PHE  48           HD2      PHE  48  57.896   2.008   0.649
  402    HE1  PHE  48           HE1      PHE  48  53.241   0.433   1.291
  403    HE2  PHE  48           HE2      PHE  48  57.400   0.223   2.307
  404    HZ   PHE  48           HZ       PHE  48  55.091  -0.572   2.616
  405    H    HIS  49           HN       HIS  49  57.067   0.140  -2.714
  406    HA   HIS  49           HA       HIS  49  54.912   0.484  -4.779
  407   1HB   HIS  49          HB2       HIS  49  57.342  -1.293  -4.947
  408   2HB   HIS  49          HB1       HIS  49  56.060  -1.205  -6.148
  409    HD1  HIS  49           HD1      HIS  49  55.662   1.395  -7.072
  410    HD2  HIS  49           HD2      HIS  49  59.381   0.485  -5.432
  411    HE1  HIS  49           HE1      HIS  49  57.260   3.174  -7.897
  412    H    ASN  50           HN       ASN  50  53.550  -1.229  -5.249
  413    HA   ASN  50           HA       ASN  50  53.283  -3.254  -3.069
  414   1HB   ASN  50          HB2       ASN  50  51.496  -1.544  -3.193
  415   2HB   ASN  50          HB1       ASN  50  51.147  -2.071  -4.820
  416   1HD2  ASN  50          HD21      ASN  50  51.397  -3.397  -1.499
  417   2HD2  ASN  50          HD22      ASN  50  50.176  -4.556  -1.707
  418    H    ILE  51           HN       ILE  51  53.178  -5.338  -3.604
  419    HA   ILE  51           HA       ILE  51  52.814  -6.112  -6.472
  420    HB   ILE  51           HB       ILE  51  54.273  -7.655  -4.292
  421   1HG1  ILE  51          HG12      ILE  51  55.361  -6.230  -6.726
  422   2HG1  ILE  51          HG11      ILE  51  55.461  -5.603  -5.086
  423   1HG2  ILE  51          HG21      ILE  51  54.867  -9.196  -6.071
  424   2HG2  ILE  51          HG22      ILE  51  54.097  -8.164  -7.277
  425   3HG2  ILE  51          HG23      ILE  51  53.114  -9.003  -6.077
  426   1HD1  ILE  51          HD11      ILE  51  56.469  -8.366  -5.671
  427   2HD1  ILE  51          HD12      ILE  51  56.977  -7.240  -4.413
  428   3HD1  ILE  51          HD13      ILE  51  57.471  -6.975  -6.085
  429    H    ARG  52           HN       ARG  52  51.086  -7.624  -6.804
  430    HA   ARG  52           HA       ARG  52  49.058  -7.672  -4.839
  431   1HB   ARG  52          HB2       ARG  52  48.740  -8.264  -7.262
  432   2HB   ARG  52          HB1       ARG  52  49.522  -9.814  -6.939
  433   1HG   ARG  52          HG2       ARG  52  47.795 -10.283  -5.202
  434   2HG   ARG  52          HG1       ARG  52  46.984  -8.780  -5.640
  435   1HD   ARG  52          HD2       ARG  52  47.511 -11.097  -7.526
  436   2HD   ARG  52          HD1       ARG  52  45.956 -10.722  -6.779
  437    HE   ARG  52           HE       ARG  52  46.919  -8.412  -8.174
  438   1HH1  ARG  52          HH21      ARG  52  45.667 -11.593  -8.637
  439   2HH1  ARG  52          HH22      ARG  52  44.933 -11.225 -10.163
  440   1HH2  ARG  52          HH11      ARG  52  45.968  -7.914 -10.160
  441   2HH2  ARG  52          HH12      ARG  52  45.105  -9.141 -11.025
  442    H    GLY  53           HN       GLY  53  48.909  -8.728  -2.967
  443   1HA   GLY  53          HA2       GLY  53  49.026 -10.622  -1.514
  444   2HA   GLY  53          HA1       GLY  53  50.166 -11.378  -2.627
  445    H    ARG  54           HN       ARG  54  51.826  -8.909  -2.799
  446    HA   ARG  54           HA       ARG  54  52.958  -8.883  -0.033
  447   1HB   ARG  54          HB2       ARG  54  54.477  -9.217  -2.635
  448   2HB   ARG  54          HB1       ARG  54  55.227  -8.986  -1.053
  449   1HG   ARG  54          HG2       ARG  54  54.054 -11.029  -0.234
  450   2HG   ARG  54          HG1       ARG  54  53.415 -11.281  -1.859
  451   1HD   ARG  54          HD2       ARG  54  55.801 -11.303  -2.695
  452   2HD   ARG  54          HD1       ARG  54  56.323 -11.306  -1.011
  453    HE   ARG  54           HE       ARG  54  54.968 -13.538  -2.409
  454   1HH1  ARG  54          HH21      ARG  54  56.227 -12.111   0.473
  455   2HH1  ARG  54          HH22      ARG  54  56.318 -13.613   1.330
  456   1HH2  ARG  54          HH11      ARG  54  55.080 -15.499  -1.302
  457   2HH2  ARG  54          HH12      ARG  54  55.670 -15.529   0.327
  458    H    TRP  55           HN       TRP  55  54.026  -6.938   0.567
  459    HA   TRP  55           HA       TRP  55  53.582  -4.632  -1.295
  460   1HB   TRP  55          HB2       TRP  55  52.808  -4.985   1.416
  461   2HB   TRP  55          HB1       TRP  55  54.106  -3.795   1.417
  462    HD1  TRP  55           HD1      TRP  55  50.470  -4.094   0.787
  463    HE1  TRP  55           HE1      TRP  55  49.571  -1.968  -0.356
  464    HE3  TRP  55           HE3      TRP  55  54.872  -1.850  -0.466
  465    HZ2  TRP  55           HZ2      TRP  55  50.602   0.372  -1.656
  466    HZ3  TRP  55           HZ3      TRP  55  54.883   0.321  -1.640
  467    HH2  TRP  55           HH2      TRP  55  52.764   1.434  -2.239
  468    H    THR  56           HN       THR  56  55.402  -3.159  -1.600
  469    HA   THR  56           HA       THR  56  57.946  -4.222  -0.421
  470    HB   THR  56           HB       THR  56  59.061  -3.887  -2.471
  471    HG1  THR  56           HG1      THR  56  58.413  -1.914  -3.092
  472   1HG2  THR  56          HG21      THR  56  56.267  -4.668  -3.316
  473   2HG2  THR  56          HG22      THR  56  57.346  -5.758  -2.452
  474   3HG2  THR  56          HG23      THR  56  57.785  -5.170  -4.057
  475    H    GLY  57           HN       GLY  57  59.666  -2.646  -0.199
  476   1HA   GLY  57          HA2       GLY  57  59.948  -0.022  -0.526
  477   2HA   GLY  57          HA1       GLY  57  58.646  -0.006   0.633
  478    H    ARG  58           HN       ARG  58  59.217  -1.848   2.451
  479    HA   ARG  58           HA       ARG  58  61.335  -0.786   4.010
  480   1HB   ARG  58          HB2       ARG  58  59.590  -2.321   4.878
  481   2HB   ARG  58          HB1       ARG  58  60.310  -3.636   3.964
  482   1HG   ARG  58          HG2       ARG  58  62.416  -3.312   5.157
  483   2HG   ARG  58          HG1       ARG  58  61.698  -2.013   6.082
  484   1HD   ARG  58          HD2       ARG  58  59.947  -3.723   6.825
  485   2HD   ARG  58          HD1       ARG  58  60.981  -4.953   6.145
  486    HE   ARG  58           HE       ARG  58  62.314  -4.709   8.069
  487   1HH1  ARG  58          HH21      ARG  58  60.553  -1.851   7.265
  488   2HH1  ARG  58          HH22      ARG  58  61.091  -0.960   8.655
  489   1HH2  ARG  58          HH11      ARG  58  63.037  -3.558   9.903
  490   2HH2  ARG  58          HH12      ARG  58  62.498  -1.932  10.150
  491    H    CYS  59           HN       CYS  59  61.163  -3.424   1.740
  492    HA   CYS  59           HA       CYS  59  63.861  -4.261   2.106
  493   1HB   CYS  59          HB2       CYS  59  61.624  -5.214   0.831
  494   2HB   CYS  59          HB1       CYS  59  62.731  -4.855  -0.493
  495    H    MET  60           HN       MET  60  62.380  -1.732   0.253
  496    HA   MET  60           HA       MET  60  64.447  -1.458  -1.708
  497   1HB   MET  60          HB2       MET  60  62.748   0.666  -0.374
  498   2HB   MET  60          HB1       MET  60  63.790   0.959  -1.770
  499   1HG   MET  60          HG2       MET  60  61.501  -1.020  -1.650
  500   2HG   MET  60          HG1       MET  60  61.504   0.515  -2.503
  501   1HE   MET  60          HE1       MET  60  63.896   0.233  -5.319
  502   2HE   MET  60          HE2       MET  60  64.667   0.475  -3.753
  503   3HE   MET  60          HE3       MET  60  63.113   1.234  -4.088
  504    H    SER  61           HN       SER  61  64.215  -0.405   1.666
  505    HA   SER  61           HA       SER  61  66.694   1.064   1.655
  506   1HB   SER  61          HB2       SER  61  66.620   0.855   4.072
  507   2HB   SER  61          HB1       SER  61  64.968   1.113   3.517
  508    HG   SER  61           HG       SER  61  64.741  -1.202   3.569
  509    H    CYS  62           HN       CYS  62  65.756  -2.311   1.918
  510    HA   CYS  62           HA       CYS  62  68.346  -3.337   2.654
  511   1HB   CYS  62          HB2       CYS  62  66.154  -4.776   1.101
  512   2HB   CYS  62          HB1       CYS  62  67.505  -5.515   1.944
  513    H    SER  63           HN       SER  63  66.891  -2.251  -0.352
  514    HA   SER  63           HA       SER  63  68.627  -3.608  -2.172
  515   1HB   SER  63          HB2       SER  63  67.986  -1.924  -3.787
  516   2HB   SER  63          HB1       SER  63  66.575  -2.292  -2.800
  517    HG   SER  63           HG       SER  63  66.576  -0.206  -2.497
  518    H    ARG  64           HN       ARG  64  69.123  -0.792  -0.137
  519    HA   ARG  64           HA       ARG  64  71.933  -0.701  -1.148
  520   1HB   ARG  64          HB2       ARG  64  70.600   1.266  -1.943
  521   2HB   ARG  64          HB1       ARG  64  70.305   1.697  -0.259
  522   1HG   ARG  64          HG2       ARG  64  72.753   1.834   0.118
  523   2HG   ARG  64          HG1       ARG  64  73.021   1.467  -1.585
  524   1HD   ARG  64          HD2       ARG  64  71.682   3.491  -2.186
  525   2HD   ARG  64          HD1       ARG  64  71.569   3.885  -0.470
  526    HE   ARG  64           HE       ARG  64  73.848   4.399  -2.140
  527   1HH1  ARG  64          HH21      ARG  64  72.871   3.290   0.975
  528   2HH1  ARG  64          HH22      ARG  64  74.335   3.786   1.758
  529   1HH2  ARG  64          HH11      ARG  64  75.767   5.045  -1.139
  530   2HH2  ARG  64          HH12      ARG  64  75.975   4.779   0.560
  531    H    SER  65           HN       SER  65  73.498  -0.582   0.453
  532    HA   SER  65           HA       SER  65  72.511  -0.332   3.265
  533   1HB   SER  65          HB2       SER  65  74.104  -2.051   3.945
  534   2HB   SER  65          HB1       SER  65  73.074  -2.697   2.671
  535    HG   SER  65           HG       SER  65  74.711  -2.496   1.239
  536    H    SER  66           HN       SER  66  74.097   0.593   4.745
  537    HA   SER  66           HA       SER  66  76.255   2.104   3.322
  538   1HB   SER  66          HB2       SER  66  74.650   2.985   5.742
  539   2HB   SER  66          HB1       SER  66  75.927   3.912   4.957
  540    HG   SER  66           HG       SER  66  73.610   4.301   4.347
  541    H    ARG  67           HN       ARG  67  78.260   2.275   4.422
  542    HA   ARG  67           HA       ARG  67  79.993   1.318   5.703
  543   1HB   ARG  67          HB2       ARG  67  77.842   1.748   7.798
  544   2HB   ARG  67          HB1       ARG  67  79.543   1.445   8.153
  545   1HG   ARG  67          HG2       ARG  67  80.145   3.466   6.823
  546   2HG   ARG  67          HG1       ARG  67  78.428   3.792   6.588
  547   1HD   ARG  67          HD2       ARG  67  78.177   3.825   9.100
  548   2HD   ARG  67          HD1       ARG  67  79.934   3.734   9.216
  549    HE   ARG  67           HE       ARG  67  79.495   5.890   7.534
  550   1HH1  ARG  67          HH21      ARG  67  78.414   4.888  10.649
  551   2HH1  ARG  67          HH22      ARG  67  78.234   6.502  11.253
  552   1HH2  ARG  67          HH11      ARG  67  79.265   8.003   8.301
  553   2HH2  ARG  67          HH12      ARG  67  78.716   8.266   9.923
  Start of MODEL    8
    1    H    ALA   1           HT1      ALA   1  54.187  -4.996  -7.744
    2    HA   ALA   1           HA       ALA   1  55.739  -3.392  -6.397
    3   1HB   ALA   1          HB1       ALA   1  57.744  -4.626  -6.318
    4   2HB   ALA   1          HB2       ALA   1  58.002  -3.567  -7.706
    5   3HB   ALA   1          HB3       ALA   1  57.531  -5.248  -7.955
    6    H    MET   2           HN       MET   2  56.984  -4.104  -9.588
    7    HA   MET   2           HA       MET   2  56.133  -1.629 -10.692
    8   1HB   MET   2          HB2       MET   2  57.932  -3.108 -11.650
    9   2HB   MET   2          HB1       MET   2  56.663  -4.193 -12.222
   10   1HG   MET   2          HG2       MET   2  55.653  -2.261 -13.464
   11   2HG   MET   2          HG1       MET   2  57.049  -1.289 -12.998
   12   1HE   MET   2          HE1       MET   2  59.638  -3.679 -13.479
   13   2HE   MET   2          HE2       MET   2  59.248  -1.999 -13.112
   14   3HE   MET   2          HE3       MET   2  59.968  -2.410 -14.667
   15    H    SER   3           HN       SER   3  54.528  -4.775 -10.477
   16    HA   SER   3           HA       SER   3  52.479  -4.394 -12.389
   17   1HB   SER   3          HB2       SER   3  52.903  -6.446 -10.891
   18   2HB   SER   3          HB1       SER   3  52.006  -5.572  -9.646
   19    HG   SER   3           HG       SER   3  51.084  -6.928 -11.790
   20    H    TYR   4           HN       TYR   4  52.613  -3.370  -8.955
   21    HA   TYR   4           HA       TYR   4  50.635  -1.275  -9.681
   22   1HB   TYR   4          HB2       TYR   4  49.404  -3.218  -8.684
   23   2HB   TYR   4          HB1       TYR   4  50.354  -3.023  -7.216
   24    HD1  TYR   4           HD1      TYR   4  49.894  -1.226  -5.663
   25    HD2  TYR   4           HD2      TYR   4  47.915  -1.418  -9.462
   26    HE1  TYR   4           HE1      TYR   4  48.346   0.558  -4.944
   27    HE2  TYR   4           HE2      TYR   4  46.364   0.362  -8.746
   28    HH   TYR   4           HH       TYR   4  45.607   1.542  -6.956
   29    H    SER   5           HN       SER   5  50.979   0.672  -8.475
   30    HA   SER   5           HA       SER   5  53.077   0.553  -6.369
   31   1HB   SER   5          HB2       SER   5  54.409   2.265  -7.461
   32   2HB   SER   5          HB1       SER   5  54.212   0.878  -8.514
   33    HG   SER   5           HG       SER   5  53.735   3.286  -9.175
   34    H    LEU   6           HN       LEU   6  53.220   2.475  -5.099
   35    HA   LEU   6           HA       LEU   6  50.777   4.211  -5.219
   36   1HB   LEU   6          HB2       LEU   6  51.027   2.579  -3.295
   37   2HB   LEU   6          HB1       LEU   6  52.490   3.428  -2.836
   38    HG   LEU   6           HG       LEU   6  51.120   5.514  -2.615
   39   1HD1  LEU   6          HD11      LEU   6  49.107   3.627  -3.633
   40   2HD1  LEU   6          HD12      LEU   6  49.054   5.390  -3.577
   41   3HD1  LEU   6          HD13      LEU   6  48.587   4.448  -2.161
   42   1HD2  LEU   6          HD21      LEU   6  50.919   3.016  -0.996
   43   2HD2  LEU   6          HD22      LEU   6  49.806   4.311  -0.563
   44   3HD2  LEU   6          HD23      LEU   6  51.548   4.595  -0.536
   45    H    TYR   7           HN       TYR   7  51.429   6.264  -5.948
   46    HA   TYR   7           HA       TYR   7  54.198   6.946  -6.101
   47   1HB   TYR   7          HB2       TYR   7  52.504   7.812  -7.674
   48   2HB   TYR   7          HB1       TYR   7  51.879   8.848  -6.387
   49    HD1  TYR   7           HD1      TYR   7  53.021  10.856  -5.746
   50    HD2  TYR   7           HD2      TYR   7  54.906   8.074  -8.431
   51    HE1  TYR   7           HE1      TYR   7  54.800  12.516  -6.215
   52    HE2  TYR   7           HE2      TYR   7  56.677   9.740  -8.902
   53    HH   TYR   7           HH       TYR   7  56.426  12.945  -8.219
   54    H    GLY   8           HN       GLY   8  51.711   8.122  -3.746
   55   1HA   GLY   8          HA2       GLY   8  52.712   8.530  -1.443
   56   2HA   GLY   8          HA1       GLY   8  54.038   9.326  -2.282
   57    H    THR   9           HN       THR   9  50.543   9.577  -2.888
   58    HA   THR   9           HA       THR   9  50.724  12.504  -2.294
   59    HB   THR   9           HB       THR   9  49.225  12.953  -4.112
   60    HG1  THR   9           HG1      THR   9  48.516  11.072  -5.378
   61   1HG2  THR   9          HG21      THR   9  50.865  10.873  -5.450
   62   2HG2  THR   9          HG22      THR   9  51.737  12.076  -4.497
   63   3HG2  THR   9          HG23      THR   9  50.695  12.587  -5.825
   64    H    THR  10           HN       THR  10  48.440  13.424  -1.851
   65    HA   THR  10           HA       THR  10  47.328  12.462   0.461
   66    HB   THR  10           HB       THR  10  45.656  13.527  -1.838
   67    HG1  THR  10           HG1      THR  10  47.522  14.682  -0.145
   68   1HG2  THR  10          HG21      THR  10  44.524  14.572   0.318
   69   2HG2  THR  10          HG22      THR  10  45.259  13.177   1.108
   70   3HG2  THR  10          HG23      THR  10  44.114  12.941  -0.212
   71    H    LEU  11           HN       LEU  11  47.016  11.081  -2.714
   72    HA   LEU  11           HA       LEU  11  44.740   9.468  -2.412
   73   1HB   LEU  11          HB2       LEU  11  47.302   8.761  -3.826
   74   2HB   LEU  11          HB1       LEU  11  45.726   8.022  -4.105
   75    HG   LEU  11           HG       LEU  11  46.454  10.927  -4.569
   76   1HD1  LEU  11          HD11      LEU  11  46.393   8.524  -6.239
   77   2HD1  LEU  11          HD12      LEU  11  47.104  10.103  -6.573
   78   3HD1  LEU  11          HD13      LEU  11  45.390   9.823  -6.884
   79   1HD2  LEU  11          HD21      LEU  11  44.032  10.703  -5.666
   80   2HD2  LEU  11          HD22      LEU  11  44.229  11.116  -3.963
   81   3HD2  LEU  11          HD23      LEU  11  43.854   9.457  -4.430
   82    H    GLU  12           HN       GLU  12  48.018   8.918  -1.138
   83    HA   GLU  12           HA       GLU  12  47.613   6.189  -0.370
   84   1HB   GLU  12          HB2       GLU  12  49.358   8.294   0.948
   85   2HB   GLU  12          HB1       GLU  12  49.395   6.573   1.339
   86   1HG   GLU  12          HG2       GLU  12  51.071   6.679  -0.260
   87   2HG   GLU  12          HG1       GLU  12  49.667   6.315  -1.262
   88    H    GLN  13           HN       GLN  13  46.501   9.171   0.901
   89    HA   GLN  13           HA       GLN  13  45.940   8.716   3.570
   90   1HB   GLN  13          HB2       GLN  13  45.408  10.728   2.163
   91   2HB   GLN  13          HB1       GLN  13  44.037   9.848   1.502
   92   1HG   GLN  13          HG2       GLN  13  43.143   9.624   3.838
   93   2HG   GLN  13          HG1       GLN  13  44.449  10.689   4.378
   94   1HE2  GLN  13          HE21      GLN  13  43.915  11.656   1.306
   95   2HE2  GLN  13          HE22      GLN  13  42.752  12.863   1.536
   96    H    GLN  14           HN       GLN  14  44.068   7.472   0.752
   97    HA   GLN  14           HA       GLN  14  41.993   6.258   2.319
   98   1HB   GLN  14          HB2       GLN  14  43.134   5.452  -0.373
   99   2HB   GLN  14          HB1       GLN  14  41.635   4.820   0.313
  100   1HG   GLN  14          HG2       GLN  14  40.708   7.087   0.403
  101   2HG   GLN  14          HG1       GLN  14  42.203   7.738  -0.261
  102   1HE2  GLN  14          HE21      GLN  14  39.790   8.140  -1.677
  103   2HE2  GLN  14          HE22      GLN  14  39.818   7.212  -3.098
  104    H    TYR  15           HN       TYR  15  45.134   5.141   1.210
  105    HA   TYR  15           HA       TYR  15  44.943   2.438   2.153
  106   1HB   TYR  15          HB2       TYR  15  47.323   4.238   1.625
  107   2HB   TYR  15          HB1       TYR  15  47.450   2.517   1.980
  108    HD1  TYR  15           HD1      TYR  15  45.821   4.929  -0.384
  109    HD2  TYR  15           HD2      TYR  15  47.266   0.941   0.265
  110    HE1  TYR  15           HE1      TYR  15  45.450   4.401  -2.780
  111    HE2  TYR  15           HE2      TYR  15  46.887   0.401  -2.116
  112    HH   TYR  15           HH       TYR  15  46.788   1.948  -4.352
  113    H    ASN  16           HN       ASN  16  45.850   5.465   3.678
  114    HA   ASN  16           HA       ASN  16  47.341   4.540   5.855
  115   1HB   ASN  16          HB2       ASN  16  46.858   6.936   5.234
  116   2HB   ASN  16          HB1       ASN  16  45.301   6.757   6.045
  117   1HD2  ASN  16          HD21      ASN  16  46.771   8.631   7.258
  118   2HD2  ASN  16          HD22      ASN  16  47.536   8.058   8.661
  119    H    LYS  17           HN       LYS  17  43.746   4.638   5.693
  120    HA   LYS  17           HA       LYS  17  43.502   3.880   8.452
  121   1HB   LYS  17          HB2       LYS  17  41.208   2.895   7.088
  122   2HB   LYS  17          HB1       LYS  17  41.357   4.325   8.090
  123   1HG   LYS  17          HG2       LYS  17  41.748   5.746   6.278
  124   2HG   LYS  17          HG1       LYS  17  42.271   4.439   5.222
  125   1HD   LYS  17          HD2       LYS  17  39.991   3.552   5.134
  126   2HD   LYS  17          HD1       LYS  17  39.446   4.802   6.252
  127   1HE   LYS  17          HE2       LYS  17  39.087   6.165   4.500
  128   2HE   LYS  17          HE1       LYS  17  40.815   6.129   4.152
  129   1HZ   LYS  17          HZ1       LYS  17  38.655   4.797   2.817
  130   2HZ   LYS  17          HZ2       LYS  17  39.930   3.745   3.213
  131   3HZ   LYS  17          HZ3       LYS  17  40.226   5.127   2.270
  132    HA   PRO  18           HA       PRO  18  43.178  -0.652   7.150
  133   1HB   PRO  18          HB2       PRO  18  42.899  -1.426   4.609
  134   2HB   PRO  18          HB1       PRO  18  41.540  -0.688   5.484
  135   1HG   PRO  18          HG2       PRO  18  43.387   0.528   3.488
  136   2HG   PRO  18          HG1       PRO  18  41.635   0.722   3.668
  137   1HD   PRO  18          HD2       PRO  18  43.532   2.517   4.633
  138   2HD   PRO  18          HD1       PRO  18  41.861   2.383   5.205
  139    H    LEU  19           HN       LEU  19  45.617   1.321   6.063
  140    HA   LEU  19           HA       LEU  19  47.208  -0.134   4.331
  141   1HB   LEU  19          HB2       LEU  19  47.887   2.050   5.326
  142   2HB   LEU  19          HB1       LEU  19  48.251   1.218   6.836
  143    HG   LEU  19           HG       LEU  19  49.786  -0.285   5.479
  144   1HD1  LEU  19          HD11      LEU  19  49.120   0.045   3.245
  145   2HD1  LEU  19          HD12      LEU  19  50.615   0.975   3.360
  146   3HD1  LEU  19          HD13      LEU  19  49.056   1.797   3.430
  147   1HD2  LEU  19          HD21      LEU  19  51.436   1.799   5.150
  148   2HD2  LEU  19          HD22      LEU  19  51.007   1.192   6.747
  149   3HD2  LEU  19          HD23      LEU  19  50.176   2.598   6.092
  150    H    SER  20           HN       SER  20  47.126  -0.656   7.913
  151    HA   SER  20           HA       SER  20  48.935  -2.890   7.786
  152   1HB   SER  20          HB2       SER  20  46.653  -2.480   9.748
  153   2HB   SER  20          HB1       SER  20  48.066  -3.504   9.983
  154    HG   SER  20           HG       SER  20  49.120  -1.267   9.424
  155    H    ASP  21           HN       ASP  21  45.459  -2.521   7.509
  156    HA   ASP  21           HA       ASP  21  44.739  -5.268   7.300
  157   1HB   ASP  21          HB2       ASP  21  43.422  -2.750   6.266
  158   2HB   ASP  21          HB1       ASP  21  42.660  -4.335   6.220
  159    H    LEU  22           HN       LEU  22  45.698  -2.919   4.784
  160    HA   LEU  22           HA       LEU  22  44.903  -4.446   2.547
  161   1HB   LEU  22          HB2       LEU  22  47.301  -2.614   2.772
  162   2HB   LEU  22          HB1       LEU  22  46.556  -3.148   1.267
  163    HG   LEU  22           HG       LEU  22  45.250  -1.466   3.418
  164   1HD1  LEU  22          HD11      LEU  22  46.762  -0.171   2.064
  165   2HD1  LEU  22          HD12      LEU  22  45.125   0.170   1.501
  166   3HD1  LEU  22          HD13      LEU  22  46.163  -0.925   0.585
  167   1HD2  LEU  22          HD21      LEU  22  44.186  -2.847   0.964
  168   2HD2  LEU  22          HD22      LEU  22  43.446  -1.352   1.535
  169   3HD2  LEU  22          HD23      LEU  22  43.482  -2.771   2.580
  170    H    LEU  23           HN       LEU  23  48.033  -4.586   4.282
  171    HA   LEU  23           HA       LEU  23  48.945  -6.990   4.397
  172   1HB   LEU  23          HB2       LEU  23  49.480  -8.104   2.345
  173   2HB   LEU  23          HB1       LEU  23  47.786  -7.701   2.275
  174    HG   LEU  23           HG       LEU  23  50.079  -6.700   0.638
  175   1HD1  LEU  23          HD11      LEU  23  48.612  -6.985  -1.143
  176   2HD1  LEU  23          HD12      LEU  23  47.184  -6.733  -0.138
  177   3HD1  LEU  23          HD13      LEU  23  48.090  -8.243  -0.018
  178   1HD2  LEU  23          HD21      LEU  23  48.950  -4.608   1.856
  179   2HD2  LEU  23          HD22      LEU  23  47.680  -4.908   0.674
  180   3HD2  LEU  23          HD23      LEU  23  49.302  -4.587   0.142
  181    H    ILE  24           HN       ILE  24  50.645  -5.639   5.379
  182    HA   ILE  24           HA       ILE  24  52.588  -4.601   3.347
  183    HB   ILE  24           HB       ILE  24  52.244  -3.718   6.215
  184   1HG1  ILE  24          HG12      ILE  24  50.322  -2.972   4.994
  185   2HG1  ILE  24          HG11      ILE  24  51.425  -1.600   5.086
  186   1HG2  ILE  24          HG21      ILE  24  54.364  -3.392   4.324
  187   2HG2  ILE  24          HG22      ILE  24  54.232  -2.724   5.951
  188   3HG2  ILE  24          HG23      ILE  24  53.594  -1.825   4.576
  189   1HD1  ILE  24          HD11      ILE  24  50.796  -3.350   2.726
  190   2HD1  ILE  24          HD12      ILE  24  52.337  -2.496   2.807
  191   3HD1  ILE  24          HD13      ILE  24  50.824  -1.592   2.825
  192    H    ARG  25           HN       ARG  25  54.496  -5.569   3.219
  193    HA   ARG  25           HA       ARG  25  55.857  -6.531   5.633
  194   1HB   ARG  25          HB2       ARG  25  55.302  -8.384   3.312
  195   2HB   ARG  25          HB1       ARG  25  56.524  -8.689   4.537
  196   1HG   ARG  25          HG2       ARG  25  54.738  -8.563   6.288
  197   2HG   ARG  25          HG1       ARG  25  53.541  -8.409   4.992
  198   1HD   ARG  25          HD2       ARG  25  54.519 -10.566   4.023
  199   2HD   ARG  25          HD1       ARG  25  55.389 -10.737   5.543
  200    HE   ARG  25           HE       ARG  25  52.468 -11.009   5.201
  201   1HH1  ARG  25          HH21      ARG  25  55.243 -10.755   7.234
  202   2HH1  ARG  25          HH22      ARG  25  54.451 -11.429   8.620
  203   1HH2  ARG  25          HH11      ARG  25  51.423 -11.893   6.999
  204   2HH2  ARG  25          HH12      ARG  25  52.292 -12.072   8.486
  205    H    CYS  26           HN       CYS  26  58.125  -6.806   5.306
  206    HA   CYS  26           HA       CYS  26  59.340  -5.003   3.336
  207   1HB   CYS  26          HB2       CYS  26  60.043  -6.540   5.704
  208   2HB   CYS  26          HB1       CYS  26  61.315  -6.532   4.510
  209    H    ILE  27           HN       ILE  27  60.820  -5.784   1.656
  210    HA   ILE  27           HA       ILE  27  60.085  -8.323   0.515
  211    HB   ILE  27           HB       ILE  27  61.213  -6.379  -0.721
  212   1HG1  ILE  27          HG12      ILE  27  62.703  -8.967  -1.063
  213   2HG1  ILE  27          HG11      ILE  27  60.975  -8.886  -1.391
  214   1HG2  ILE  27          HG21      ILE  27  63.846  -7.552  -0.033
  215   2HG2  ILE  27          HG22      ILE  27  63.100  -6.586   1.238
  216   3HG2  ILE  27          HG23      ILE  27  63.411  -5.872  -0.343
  217   1HD1  ILE  27          HD11      ILE  27  62.152  -8.453  -3.469
  218   2HD1  ILE  27          HD12      ILE  27  63.155  -7.229  -2.692
  219   3HD1  ILE  27          HD13      ILE  27  61.430  -6.938  -2.925
  220    H    ASN  28           HN       ASN  28  62.378  -7.228   2.877
  221    HA   ASN  28           HA       ASN  28  63.506  -9.979   3.116
  222   1HB   ASN  28          HB2       ASN  28  65.523  -9.012   3.482
  223   2HB   ASN  28          HB1       ASN  28  64.789  -7.488   3.006
  224   1HD2  ASN  28          HD21      ASN  28  65.483  -5.962   4.529
  225   2HD2  ASN  28          HD22      ASN  28  65.452  -6.185   6.209
  226    H    CYS  29           HN       CYS  29  62.772  -7.210   5.257
  227    HA   CYS  29           HA       CYS  29  62.422  -8.917   7.557
  228   1HB   CYS  29          HB2       CYS  29  61.292  -6.137   7.463
  229   2HB   CYS  29          HB1       CYS  29  62.118  -6.957   8.788
  230    H    GLN  30           HN       GLN  30  60.866 -10.209   6.095
  231    HA   GLN  30           HA       GLN  30  58.274  -9.556   5.425
  232   1HB   GLN  30          HB2       GLN  30  59.101 -12.120   6.812
  233   2HB   GLN  30          HB1       GLN  30  57.684 -11.902   5.782
  234   1HG   GLN  30          HG2       GLN  30  60.576 -11.641   4.956
  235   2HG   GLN  30          HG1       GLN  30  59.443 -12.882   4.464
  236   1HE2  GLN  30          HE21      GLN  30  60.792 -10.075   3.493
  237   2HE2  GLN  30          HE22      GLN  30  59.625  -9.525   2.418
  238    H    LYS  31           HN       LYS  31  59.526 -10.221   8.671
  239    HA   LYS  31           HA       LYS  31  57.074 -10.481  10.035
  240   1HB   LYS  31          HB2       LYS  31  59.748  -9.331  10.762
  241   2HB   LYS  31          HB1       LYS  31  58.387  -8.995  11.834
  242   1HG   LYS  31          HG2       LYS  31  57.937 -11.392  12.063
  243   2HG   LYS  31          HG1       LYS  31  59.239 -11.762  10.933
  244   1HD   LYS  31          HD2       LYS  31  60.835 -11.501  12.516
  245   2HD   LYS  31          HD1       LYS  31  60.092 -10.027  13.139
  246   1HE   LYS  31          HE2       LYS  31  58.831 -12.710  13.670
  247   2HE   LYS  31          HE1       LYS  31  60.154 -12.128  14.681
  248   1HZ   LYS  31          HZ1       LYS  31  57.839 -10.396  14.114
  249   2HZ   LYS  31          HZ2       LYS  31  58.920 -10.345  15.424
  250   3HZ   LYS  31          HZ3       LYS  31  57.745 -11.569  15.335
  251    HA   PRO  32           HA       PRO  32  54.791  -6.796   9.277
  252   1HB   PRO  32          HB2       PRO  32  54.882  -6.326  12.245
  253   2HB   PRO  32          HB1       PRO  32  53.496  -6.230  11.134
  254   1HG   PRO  32          HG2       PRO  32  53.788  -8.355  12.639
  255   2HG   PRO  32          HG1       PRO  32  53.323  -8.539  10.948
  256   1HD   PRO  32          HD2       PRO  32  55.977  -9.068  12.238
  257   2HD   PRO  32          HD1       PRO  32  55.179  -9.920  10.893
  258    H    LEU  33           HN       LEU  33  55.213  -4.644   8.895
  259    HA   LEU  33           HA       LEU  33  57.943  -3.704   9.570
  260   1HB   LEU  33          HB2       LEU  33  56.942  -3.749   7.219
  261   2HB   LEU  33          HB1       LEU  33  55.912  -2.427   7.748
  262    HG   LEU  33           HG       LEU  33  58.228  -1.435   8.595
  263   1HD1  LEU  33          HD11      LEU  33  59.013  -3.658   6.884
  264   2HD1  LEU  33          HD12      LEU  33  60.003  -2.639   7.923
  265   3HD1  LEU  33          HD13      LEU  33  59.633  -2.125   6.281
  266   1HD2  LEU  33          HD21      LEU  33  57.055  -1.335   5.821
  267   2HD2  LEU  33          HD22      LEU  33  58.404  -0.312   6.299
  268   3HD2  LEU  33          HD23      LEU  33  56.858  -0.178   7.126
  269    H    SER  34           HN       SER  34  58.323  -2.084  10.942
  270    HA   SER  34           HA       SER  34  56.290  -0.995  12.565
  271   1HB   SER  34          HB2       SER  34  58.701  -0.961  13.217
  272   2HB   SER  34          HB1       SER  34  59.024   0.163  11.901
  273    HG   SER  34           HG       SER  34  57.120   1.315  13.092
  274    HA   PRO  35           HA       PRO  35  54.569   1.491   9.401
  275   1HB   PRO  35          HB2       PRO  35  53.433   3.415  11.092
  276   2HB   PRO  35          HB1       PRO  35  52.682   1.930  10.489
  277   1HG   PRO  35          HG2       PRO  35  53.781   2.507  13.131
  278   2HG   PRO  35          HG1       PRO  35  52.591   1.305  12.630
  279   1HD   PRO  35          HD2       PRO  35  55.211   0.739  13.308
  280   2HD   PRO  35          HD1       PRO  35  54.152  -0.317  12.348
  281    H    GLU  36           HN       GLU  36  56.972   2.474  11.557
  282    HA   GLU  36           HA       GLU  36  57.170   5.259  10.937
  283   1HB   GLU  36          HB2       GLU  36  58.418   4.123  12.765
  284   2HB   GLU  36          HB1       GLU  36  59.445   3.359  11.551
  285   1HG   GLU  36          HG2       GLU  36  60.084   5.621  10.717
  286   2HG   GLU  36          HG1       GLU  36  59.138   6.339  12.022
  287    H    GLU  37           HN       GLU  37  58.632   2.445   9.244
  288    HA   GLU  37           HA       GLU  37  60.000   4.207   7.356
  289   1HB   GLU  37          HB2       GLU  37  59.504   1.224   7.364
  290   2HB   GLU  37          HB1       GLU  37  60.510   2.055   6.175
  291   1HG   GLU  37          HG2       GLU  37  61.927   2.923   8.030
  292   2HG   GLU  37          HG1       GLU  37  60.946   2.009   9.177
  293    H    LYS  38           HN       LYS  38  57.243   1.945   7.028
  294    HA   LYS  38           HA       LYS  38  56.683   2.741   4.337
  295   1HB   LYS  38          HB2       LYS  38  54.632   1.458   4.566
  296   2HB   LYS  38          HB1       LYS  38  55.971   0.561   5.279
  297   1HG   LYS  38          HG2       LYS  38  55.336   1.480   7.496
  298   2HG   LYS  38          HG1       LYS  38  53.914   2.218   6.758
  299   1HD   LYS  38          HD2       LYS  38  53.292  -0.105   5.924
  300   2HD   LYS  38          HD1       LYS  38  54.567  -0.734   6.965
  301   1HE   LYS  38          HE2       LYS  38  53.405  -0.285   8.894
  302   2HE   LYS  38          HE1       LYS  38  52.616   1.139   8.216
  303   1HZ   LYS  38          HZ1       LYS  38  51.656  -1.510   8.381
  304   2HZ   LYS  38          HZ2       LYS  38  51.742  -1.047   6.749
  305   3HZ   LYS  38          HZ3       LYS  38  50.844  -0.117   7.851
  306    H    GLN  39           HN       GLN  39  55.550   3.879   7.499
  307    HA   GLN  39           HA       GLN  39  53.437   5.423   6.445
  308   1HB   GLN  39          HB2       GLN  39  53.732   5.113   8.883
  309   2HB   GLN  39          HB1       GLN  39  55.153   6.169   8.831
  310   1HG   GLN  39          HG2       GLN  39  53.181   7.475   9.470
  311   2HG   GLN  39          HG1       GLN  39  53.714   7.965   7.858
  312   1HE2  GLN  39          HE21      GLN  39  52.572   7.008   6.010
  313   2HE2  GLN  39          HE22      GLN  39  50.970   6.490   6.164
  314    H    ARG  40           HN       ARG  40  56.893   6.199   6.777
  315    HA   ARG  40           HA       ARG  40  56.652   8.887   5.798
  316   1HB   ARG  40          HB2       ARG  40  58.947   6.910   5.561
  317   2HB   ARG  40          HB1       ARG  40  59.060   8.627   5.169
  318   1HG   ARG  40          HG2       ARG  40  58.361   9.165   7.504
  319   2HG   ARG  40          HG1       ARG  40  58.389   7.444   7.876
  320   1HD   ARG  40          HD2       ARG  40  60.742   9.109   6.941
  321   2HD   ARG  40          HD1       ARG  40  60.506   8.458   8.564
  322    HE   ARG  40           HE       ARG  40  60.542   6.459   6.401
  323   1HH1  ARG  40          HH21      ARG  40  62.219   8.220   8.847
  324   2HH1  ARG  40          HH22      ARG  40  63.510   7.071   8.974
  325   1HH2  ARG  40          HH11      ARG  40  62.218   4.952   6.555
  326   2HH2  ARG  40          HH12      ARG  40  63.510   5.223   7.676
  327    H    HIS  41           HN       HIS  41  57.007   5.715   4.224
  328    HA   HIS  41           HA       HIS  41  57.371   6.691   1.566
  329   1HB   HIS  41          HB2       HIS  41  55.875   4.175   2.400
  330   2HB   HIS  41          HB1       HIS  41  56.508   4.518   0.798
  331    HD1  HIS  41           HD1      HIS  41  59.181   5.880   2.135
  332    HD2  HIS  41           HD2      HIS  41  57.766   1.991   2.633
  333    HE1  HIS  41           HE1      HIS  41  61.159   4.482   2.873
  334    H    LEU  42           HN       LEU  42  54.450   5.916   3.398
  335    HA   LEU  42           HA       LEU  42  52.560   6.608   1.365
  336   1HB   LEU  42          HB2       LEU  42  52.259   6.716   4.376
  337   2HB   LEU  42          HB1       LEU  42  50.941   6.676   3.207
  338    HG   LEU  42           HG       LEU  42  53.018   4.509   3.611
  339   1HD1  LEU  42          HD11      LEU  42  50.330   5.036   4.693
  340   2HD1  LEU  42          HD12      LEU  42  51.606   3.982   5.305
  341   3HD1  LEU  42          HD13      LEU  42  50.535   3.419   4.018
  342   1HD2  LEU  42          HD21      LEU  42  51.095   3.385   2.098
  343   2HD2  LEU  42          HD22      LEU  42  52.500   4.188   1.398
  344   3HD2  LEU  42          HD23      LEU  42  50.966   5.049   1.527
  345    H    ASP  43           HN       ASP  43  54.121   8.540   3.932
  346    HA   ASP  43           HA       ASP  43  52.422  10.792   3.708
  347   1HB   ASP  43          HB2       ASP  43  55.353  10.630   4.441
  348   2HB   ASP  43          HB1       ASP  43  54.368  12.082   4.635
  349    H    LYS  44           HN       LYS  44  55.489  10.136   1.972
  350    HA   LYS  44           HA       LYS  44  54.560  11.443  -0.432
  351   1HB   LYS  44          HB2       LYS  44  56.671  13.016   1.084
  352   2HB   LYS  44          HB1       LYS  44  56.120  13.341  -0.549
  353   1HG   LYS  44          HG2       LYS  44  54.408  13.559   1.948
  354   2HG   LYS  44          HG1       LYS  44  55.134  14.891   1.082
  355   1HD   LYS  44          HD2       LYS  44  53.896  14.261  -0.974
  356   2HD   LYS  44          HD1       LYS  44  53.078  12.987  -0.093
  357   1HE   LYS  44          HE2       LYS  44  51.514  14.627   0.241
  358   2HE   LYS  44          HE1       LYS  44  52.584  15.055   1.576
  359   1HZ   LYS  44          HZ1       LYS  44  53.726  16.318  -0.507
  360   2HZ   LYS  44          HZ2       LYS  44  52.647  17.041   0.587
  361   3HZ   LYS  44          HZ3       LYS  44  52.081  16.445  -0.900
  362    H    LYS  45           HN       LYS  45  55.451   9.258  -0.969
  363    HA   LYS  45           HA       LYS  45  58.425   9.174  -0.960
  364   1HB   LYS  45          HB2       LYS  45  57.006   7.136  -0.361
  365   2HB   LYS  45          HB1       LYS  45  56.561   7.067  -2.056
  366   1HG   LYS  45          HG2       LYS  45  58.937   6.940  -2.694
  367   2HG   LYS  45          HG1       LYS  45  59.398   6.996  -0.991
  368   1HD   LYS  45          HD2       LYS  45  58.092   4.927  -0.594
  369   2HD   LYS  45          HD1       LYS  45  57.727   4.844  -2.309
  370   1HE   LYS  45          HE2       LYS  45  60.031   3.861  -0.950
  371   2HE   LYS  45          HE1       LYS  45  59.691   3.801  -2.678
  372   1HZ   LYS  45          HZ1       LYS  45  60.444   6.382  -2.246
  373   2HZ   LYS  45          HZ2       LYS  45  61.423   5.156  -2.892
  374   3HZ   LYS  45          HZ3       LYS  45  61.479   5.504  -1.231
  375    H    GLN  46           HN       GLN  46  59.626   9.250  -2.947
  376    HA   GLN  46           HA       GLN  46  58.457  10.709  -5.090
  377   1HB   GLN  46          HB2       GLN  46  60.741   8.692  -5.178
  378   2HB   GLN  46          HB1       GLN  46  60.369   9.850  -6.455
  379   1HG   GLN  46          HG2       GLN  46  60.765  11.715  -4.910
  380   2HG   GLN  46          HG1       GLN  46  61.087  10.577  -3.601
  381   1HE2  GLN  46          HE21      GLN  46  63.107  12.385  -4.300
  382   2HE2  GLN  46          HE22      GLN  46  64.372  11.561  -5.076
  383    H    ARG  47           HN       ARG  47  58.742   7.293  -4.349
  384    HA   ARG  47           HA       ARG  47  56.291   6.647  -5.597
  385   1HB   ARG  47          HB2       ARG  47  56.996   5.341  -7.496
  386   2HB   ARG  47          HB1       ARG  47  57.593   6.987  -7.666
  387   1HG   ARG  47          HG2       ARG  47  59.773   6.184  -6.658
  388   2HG   ARG  47          HG1       ARG  47  59.151   4.539  -6.831
  389   1HD   ARG  47          HD2       ARG  47  58.762   4.999  -9.261
  390   2HD   ARG  47          HD1       ARG  47  59.546   6.565  -9.049
  391    HE   ARG  47           HE       ARG  47  60.882   4.010  -9.233
  392   1HH1  ARG  47          HH21      ARG  47  60.932   7.169  -7.867
  393   2HH1  ARG  47          HH22      ARG  47  62.654   7.214  -7.691
  394   1HH2  ARG  47          HH11      ARG  47  63.137   4.047  -9.014
  395   2HH2  ARG  47          HH12      ARG  47  63.901   5.447  -8.340
  396    H    PHE  48           HN       PHE  48  55.636   4.577  -5.037
  397    HA   PHE  48           HA       PHE  48  57.564   2.983  -3.399
  398   1HB   PHE  48          HB2       PHE  48  55.603   4.372  -2.303
  399   2HB   PHE  48          HB1       PHE  48  54.587   3.102  -2.945
  400    HD1  PHE  48           HD1      PHE  48  58.025   2.699  -1.436
  401    HD2  PHE  48           HD2      PHE  48  53.788   2.091  -1.008
  402    HE1  PHE  48           HE1      PHE  48  58.416   1.361   0.604
  403    HE2  PHE  48           HE2      PHE  48  54.192   0.742   1.024
  404    HZ   PHE  48           HZ       PHE  48  56.498   0.384   1.834
  405    H    HIS  49           HN       HIS  49  57.254   0.572  -3.649
  406    HA   HIS  49           HA       HIS  49  55.735   0.017  -6.183
  407   1HB   HIS  49          HB2       HIS  49  58.124  -1.434  -5.008
  408   2HB   HIS  49          HB1       HIS  49  57.306  -1.872  -6.506
  409    HD1  HIS  49           HD1      HIS  49  57.189   0.239  -8.312
  410    HD2  HIS  49           HD2      HIS  49  60.173   0.362  -5.404
  411    HE1  HIS  49           HE1      HIS  49  58.929   1.882  -9.142
  412    H    ASN  50           HN       ASN  50  54.252  -1.602  -6.264
  413    HA   ASN  50           HA       ASN  50  53.740  -3.074  -3.712
  414   1HB   ASN  50          HB2       ASN  50  52.035  -1.385  -4.339
  415   2HB   ASN  50          HB1       ASN  50  51.749  -2.274  -5.812
  416   1HD2  ASN  50          HD21      ASN  50  51.768  -2.801  -2.249
  417   2HD2  ASN  50          HD22      ASN  50  50.530  -3.961  -2.272
  418    H    ILE  51           HN       ILE  51  53.768  -5.202  -3.778
  419    HA   ILE  51           HA       ILE  51  53.417  -6.648  -6.379
  420    HB   ILE  51           HB       ILE  51  54.797  -7.623  -3.842
  421   1HG1  ILE  51          HG12      ILE  51  56.060  -6.946  -6.506
  422   2HG1  ILE  51          HG11      ILE  51  56.079  -5.853  -5.119
  423   1HG2  ILE  51          HG21      ILE  51  53.601  -9.279  -5.402
  424   2HG2  ILE  51          HG22      ILE  51  55.297  -9.604  -5.043
  425   3HG2  ILE  51          HG23      ILE  51  54.846  -8.879  -6.586
  426   1HD1  ILE  51          HD11      ILE  51  57.195  -7.650  -3.796
  427   2HD1  ILE  51          HD12      ILE  51  58.151  -7.144  -5.190
  428   3HD1  ILE  51          HD13      ILE  51  57.236  -8.650  -5.248
  429    H    ARG  52           HN       ARG  52  51.640  -8.155  -6.336
  430    HA   ARG  52           HA       ARG  52  49.615  -7.705  -4.427
  431   1HB   ARG  52          HB2       ARG  52  50.140 -10.212  -6.051
  432   2HB   ARG  52          HB1       ARG  52  48.639  -9.874  -5.187
  433   1HG   ARG  52          HG2       ARG  52  48.395  -7.774  -6.517
  434   2HG   ARG  52          HG1       ARG  52  49.829  -8.226  -7.437
  435   1HD   ARG  52          HD2       ARG  52  48.665 -10.385  -8.033
  436   2HD   ARG  52          HD1       ARG  52  47.207  -9.734  -7.284
  437    HE   ARG  52           HE       ARG  52  48.279  -7.905  -9.253
  438   1HH1  ARG  52          HH21      ARG  52  46.514 -10.818  -8.747
  439   2HH1  ARG  52          HH22      ARG  52  45.600 -10.681 -10.213
  440   1HH2  ARG  52          HH11      ARG  52  47.091  -7.700 -11.173
  441   2HH2  ARG  52          HH12      ARG  52  45.925  -8.914 -11.586
  442    H    GLY  53           HN       GLY  53  49.109  -8.616  -2.463
  443   1HA   GLY  53          HA2       GLY  53  49.333  -9.974  -0.554
  444   2HA   GLY  53          HA1       GLY  53  50.485 -10.967  -1.445
  445    H    ARG  54           HN       ARG  54  52.200  -8.601  -2.115
  446    HA   ARG  54           HA       ARG  54  53.239  -7.995   0.619
  447   1HB   ARG  54          HB2       ARG  54  54.492  -9.884  -0.401
  448   2HB   ARG  54          HB1       ARG  54  54.927  -8.834  -1.749
  449   1HG   ARG  54          HG2       ARG  54  55.998  -7.264  -0.139
  450   2HG   ARG  54          HG1       ARG  54  55.640  -8.398   1.162
  451   1HD   ARG  54          HD2       ARG  54  57.334  -9.005  -1.277
  452   2HD   ARG  54          HD1       ARG  54  57.946  -8.695   0.347
  453    HE   ARG  54           HE       ARG  54  56.255 -10.776   0.804
  454   1HH1  ARG  54          HH21      ARG  54  58.644 -10.147  -1.599
  455   2HH1  ARG  54          HH22      ARG  54  59.057 -11.815  -1.817
  456   1HH2  ARG  54          HH11      ARG  54  56.779 -12.960   0.533
  457   2HH2  ARG  54          HH12      ARG  54  58.001 -13.408  -0.610
  458    H    TRP  55           HN       TRP  55  54.275  -5.991   0.866
  459    HA   TRP  55           HA       TRP  55  54.067  -4.159  -1.484
  460   1HB   TRP  55          HB2       TRP  55  53.252  -3.849   1.265
  461   2HB   TRP  55          HB1       TRP  55  54.481  -2.663   0.880
  462    HD1  TRP  55           HD1      TRP  55  50.896  -3.383   0.342
  463    HE1  TRP  55           HE1      TRP  55  49.872  -1.653  -1.269
  464    HE3  TRP  55           HE3      TRP  55  55.146  -1.139  -1.252
  465    HZ2  TRP  55           HZ2      TRP  55  50.789   0.432  -3.032
  466    HZ3  TRP  55           HZ3      TRP  55  55.054   0.729  -2.854
  467    HH2  TRP  55           HH2      TRP  55  52.888   1.510  -3.750
  468    H    THR  56           HN       THR  56  55.912  -2.917  -2.022
  469    HA   THR  56           HA       THR  56  58.424  -3.641  -0.612
  470    HB   THR  56           HB       THR  56  59.558  -4.013  -2.702
  471    HG1  THR  56           HG1      THR  56  58.830  -2.951  -4.338
  472   1HG2  THR  56          HG21      THR  56  58.595  -6.055  -3.230
  473   2HG2  THR  56          HG22      THR  56  56.953  -5.416  -3.160
  474   3HG2  THR  56          HG23      THR  56  57.840  -5.731  -1.669
  475    H    GLY  57           HN       GLY  57  60.298  -2.355  -1.386
  476   1HA   GLY  57          HA2       GLY  57  61.285  -0.226  -2.054
  477   2HA   GLY  57          HA1       GLY  57  59.683   0.533  -1.861
  478    H    ARG  58           HN       ARG  58  59.189  -1.290   0.248
  479    HA   ARG  58           HA       ARG  58  59.687   0.178   2.609
  480   1HB   ARG  58          HB2       ARG  58  57.848  -1.225   2.290
  481   2HB   ARG  58          HB1       ARG  58  58.843  -2.614   1.895
  482   1HG   ARG  58          HG2       ARG  58  59.695  -2.668   4.169
  483   2HG   ARG  58          HG1       ARG  58  58.735  -1.246   4.558
  484   1HD   ARG  58          HD2       ARG  58  57.597  -3.865   3.566
  485   2HD   ARG  58          HD1       ARG  58  57.620  -3.390   5.250
  486    HE   ARG  58           HE       ARG  58  55.863  -1.844   4.788
  487   1HH1  ARG  58          HH21      ARG  58  57.199  -3.357   2.013
  488   2HH1  ARG  58          HH22      ARG  58  56.054  -2.675   0.912
  489   1HH2  ARG  58          HH11      ARG  58  54.352  -0.920   3.406
  490   2HH2  ARG  58          HH12      ARG  58  54.408  -1.280   1.716
  491    H    CYS  59           HN       CYS  59  61.238  -2.766   1.373
  492    HA   CYS  59           HA       CYS  59  62.953  -2.805   3.720
  493   1HB   CYS  59          HB2       CYS  59  62.080  -4.803   2.237
  494   2HB   CYS  59          HB1       CYS  59  63.543  -4.456   1.332
  495    H    MET  60           HN       MET  60  63.072  -1.582   0.459
  496    HA   MET  60           HA       MET  60  65.872  -1.302   0.152
  497   1HB   MET  60          HB2       MET  60  64.124  -0.717  -1.583
  498   2HB   MET  60          HB1       MET  60  63.782   0.749  -0.662
  499   1HG   MET  60          HG2       MET  60  66.206   1.371  -0.875
  500   2HG   MET  60          HG1       MET  60  66.420  -0.015  -1.943
  501   1HE   MET  60          HE1       MET  60  65.193  -0.505  -3.906
  502   2HE   MET  60          HE2       MET  60  64.423   0.632  -5.011
  503   3HE   MET  60          HE3       MET  60  63.528   0.022  -3.620
  504    H    SER  61           HN       SER  61  63.500   0.593   1.989
  505    HA   SER  61           HA       SER  61  65.305   2.687   2.775
  506   1HB   SER  61          HB2       SER  61  63.690   3.179   4.516
  507   2HB   SER  61          HB1       SER  61  62.798   2.736   3.065
  508    HG   SER  61           HG       SER  61  62.042   1.662   4.961
  509    H    CYS  62           HN       CYS  62  64.696  -0.586   3.927
  510    HA   CYS  62           HA       CYS  62  66.135  -0.403   6.403
  511   1HB   CYS  62          HB2       CYS  62  65.781  -2.816   4.579
  512   2HB   CYS  62          HB1       CYS  62  66.351  -2.861   6.231
  513    H    SER  63           HN       SER  63  67.071  -0.666   3.080
  514    HA   SER  63           HA       SER  63  69.716  -1.682   3.391
  515   1HB   SER  63          HB2       SER  63  70.165  -0.777   1.197
  516   2HB   SER  63          HB1       SER  63  68.510  -1.379   1.206
  517    HG   SER  63           HG       SER  63  68.261   1.037   2.013
  518    H    ARG  64           HN       ARG  64  68.403   1.512   4.016
  519    HA   ARG  64           HA       ARG  64  70.788   3.038   3.910
  520   1HB   ARG  64          HB2       ARG  64  68.448   3.281   5.827
  521   2HB   ARG  64          HB1       ARG  64  69.696   4.508   5.612
  522   1HG   ARG  64          HG2       ARG  64  69.098   4.621   3.184
  523   2HG   ARG  64          HG1       ARG  64  67.770   3.504   3.499
  524   1HD   ARG  64          HD2       ARG  64  68.140   6.239   4.755
  525   2HD   ARG  64          HD1       ARG  64  66.937   5.806   3.541
  526    HE   ARG  64           HE       ARG  64  66.348   4.040   5.524
  527   1HH1  ARG  64          HH21      ARG  64  67.053   7.415   5.503
  528   2HH1  ARG  64          HH22      ARG  64  66.056   7.768   6.875
  529   1HH2  ARG  64          HH11      ARG  64  65.039   4.482   7.314
  530   2HH2  ARG  64          HH12      ARG  64  64.915   6.108   7.898
  531    H    SER  65           HN       SER  65  69.561   0.857   6.411
  532    HA   SER  65           HA       SER  65  72.228   1.065   7.737
  533   1HB   SER  65          HB2       SER  65  71.171   0.976   9.926
  534   2HB   SER  65          HB1       SER  65  70.486   2.326   9.026
  535    HG   SER  65           HG       SER  65  69.357  -0.113   9.770
  536    H    SER  66           HN       SER  66  72.818  -0.904   8.927
  537    HA   SER  66           HA       SER  66  72.268  -3.306   7.515
  538   1HB   SER  66          HB2       SER  66  73.157  -3.054  10.404
  539   2HB   SER  66          HB1       SER  66  73.380  -4.454   9.360
  540    HG   SER  66           HG       SER  66  75.244  -3.120   9.453
  541    H    ARG  67           HN       ARG  67  70.721  -1.863  10.341
  542    HA   ARG  67           HA       ARG  67  68.336  -3.466   9.908
  543   1HB   ARG  67          HB2       ARG  67  69.754  -5.076  11.157
  544   2HB   ARG  67          HB1       ARG  67  69.940  -3.893  12.451
  545   1HG   ARG  67          HG2       ARG  67  68.194  -5.347  13.171
  546   2HG   ARG  67          HG1       ARG  67  67.386  -3.884  12.614
  547   1HD   ARG  67          HD2       ARG  67  66.955  -4.979  10.422
  548   2HD   ARG  67          HD1       ARG  67  67.721  -6.447  11.024
  549    HE   ARG  67           HE       ARG  67  65.747  -5.882  12.895
  550   1HH1  ARG  67          HH21      ARG  67  65.945  -6.325   9.481
  551   2HH1  ARG  67          HH22      ARG  67  64.341  -6.963   9.338
  552   1HH2  ARG  67          HH11      ARG  67  63.653  -6.709  12.728
  553   2HH2  ARG  67          HH12      ARG  67  63.045  -7.182  11.176
  Start of MODEL    9
    1    H    ALA   1           HT1      ALA   1  55.418  -6.367  -8.617
    2    HA   ALA   1           HA       ALA   1  55.681  -4.602  -6.964
    3   1HB   ALA   1          HB1       ALA   1  57.715  -3.048  -8.089
    4   2HB   ALA   1          HB2       ALA   1  58.374  -4.682  -8.088
    5   3HB   ALA   1          HB3       ALA   1  57.819  -3.957  -6.580
    6    H    MET   2           HN       MET   2  56.513  -4.631 -10.376
    7    HA   MET   2           HA       MET   2  55.411  -2.138 -11.139
    8   1HB   MET   2          HB2       MET   2  55.678  -4.719 -12.701
    9   2HB   MET   2          HB1       MET   2  55.265  -3.162 -13.418
   10   1HG   MET   2          HG2       MET   2  57.394  -2.229 -12.469
   11   2HG   MET   2          HG1       MET   2  57.818  -3.856 -11.938
   12   1HE   MET   2          HE1       MET   2  57.512  -5.781 -13.295
   13   2HE   MET   2          HE2       MET   2  58.300  -5.958 -14.861
   14   3HE   MET   2          HE3       MET   2  56.579  -5.591 -14.784
   15    H    SER   3           HN       SER   3  53.783  -5.247 -10.572
   16    HA   SER   3           HA       SER   3  51.436  -4.799 -12.025
   17   1HB   SER   3          HB2       SER   3  51.606  -5.978  -9.238
   18   2HB   SER   3          HB1       SER   3  50.293  -6.225 -10.390
   19    HG   SER   3           HG       SER   3  53.027  -6.910 -10.794
   20    H    TYR   4           HN       TYR   4  52.121  -3.566  -8.672
   21    HA   TYR   4           HA       TYR   4  50.268  -1.388  -9.371
   22   1HB   TYR   4          HB2       TYR   4  48.792  -3.128  -8.416
   23   2HB   TYR   4          HB1       TYR   4  49.711  -3.077  -6.920
   24    HD1  TYR   4           HD1      TYR   4  47.563  -1.158  -9.207
   25    HD2  TYR   4           HD2      TYR   4  49.464  -1.225  -5.363
   26    HE1  TYR   4           HE1      TYR   4  46.219   0.800  -8.513
   27    HE2  TYR   4           HE2      TYR   4  48.122   0.736  -4.662
   28    HH   TYR   4           HH       TYR   4  46.640   2.269  -5.289
   29    H    SER   5           HN       SER   5  50.773   0.546  -8.307
   30    HA   SER   5           HA       SER   5  52.868   0.369  -6.177
   31   1HB   SER   5          HB2       SER   5  52.854   2.298  -8.475
   32   2HB   SER   5          HB1       SER   5  54.064   2.226  -7.211
   33    HG   SER   5           HG       SER   5  53.522   0.395  -9.288
   34    H    LEU   6           HN       LEU   6  52.868   2.124  -4.683
   35    HA   LEU   6           HA       LEU   6  50.393   3.821  -4.750
   36   1HB   LEU   6          HB2       LEU   6  50.718   2.161  -2.873
   37   2HB   LEU   6          HB1       LEU   6  52.163   3.043  -2.427
   38    HG   LEU   6           HG       LEU   6  50.796   5.064  -2.057
   39   1HD1  LEU   6          HD11      LEU   6  48.246   4.325  -1.751
   40   2HD1  LEU   6          HD12      LEU   6  48.681   3.153  -2.995
   41   3HD1  LEU   6          HD13      LEU   6  48.839   4.880  -3.316
   42   1HD2  LEU   6          HD21      LEU   6  50.695   2.521  -0.582
   43   2HD2  LEU   6          HD22      LEU   6  49.349   3.588  -0.195
   44   3HD2  LEU   6          HD23      LEU   6  51.010   4.148   0.019
   45    H    TYR   7           HN       TYR   7  50.904   5.968  -5.308
   46    HA   TYR   7           HA       TYR   7  53.610   6.862  -5.548
   47   1HB   TYR   7          HB2       TYR   7  51.717   7.879  -6.818
   48   2HB   TYR   7          HB1       TYR   7  51.196   8.659  -5.317
   49    HD1  TYR   7           HD1      TYR   7  53.598   8.714  -8.045
   50    HD2  TYR   7           HD2      TYR   7  52.799  10.171  -4.088
   51    HE1  TYR   7           HE1      TYR   7  55.364  10.434  -8.322
   52    HE2  TYR   7           HE2      TYR   7  54.540  11.914  -4.376
   53    HH   TYR   7           HH       TYR   7  56.220  12.339  -7.464
   54    H    GLY   8           HN       GLY   8  51.172   7.491  -3.001
   55   1HA   GLY   8          HA2       GLY   8  51.915   7.800  -0.695
   56   2HA   GLY   8          HA1       GLY   8  53.433   8.445  -1.302
   57    H    THR   9           HN       THR   9  50.832   9.603  -3.119
   58    HA   THR   9           HA       THR   9  51.123  12.314  -2.049
   59    HB   THR   9           HB       THR   9  49.554  12.999  -3.766
   60    HG1  THR   9           HG1      THR   9  48.493  11.435  -5.012
   61   1HG2  THR   9          HG21      THR   9  51.966  12.116  -4.347
   62   2HG2  THR   9          HG22      THR   9  50.837  12.561  -5.625
   63   3HG2  THR   9          HG23      THR   9  51.058  10.865  -5.204
   64    H    THR  10           HN       THR  10  48.935  13.556  -1.739
   65    HA   THR  10           HA       THR  10  47.674  12.794   0.626
   66    HB   THR  10           HB       THR  10  46.330  14.196  -1.715
   67    HG1  THR  10           HG1      THR  10  48.419  14.893  -0.153
   68   1HG2  THR  10          HG21      THR  10  45.820  14.930   1.118
   69   2HG2  THR  10          HG22      THR  10  45.134  13.406   0.553
   70   3HG2  THR  10          HG23      THR  10  44.719  14.915  -0.257
   71    H    LEU  11           HN       LEU  11  47.019  11.833  -2.682
   72    HA   LEU  11           HA       LEU  11  44.594  10.438  -2.349
   73   1HB   LEU  11          HB2       LEU  11  45.718  10.880  -4.512
   74   2HB   LEU  11          HB1       LEU  11  46.932   9.674  -4.092
   75    HG   LEU  11           HG       LEU  11  45.013   8.020  -3.803
   76   1HD1  LEU  11          HD11      LEU  11  43.006   9.116  -3.695
   77   2HD1  LEU  11          HD12      LEU  11  43.069   8.946  -5.449
   78   3HD1  LEU  11          HD13      LEU  11  43.569  10.458  -4.691
   79   1HD2  LEU  11          HD21      LEU  11  44.848   7.589  -6.212
   80   2HD2  LEU  11          HD22      LEU  11  46.491   8.084  -5.806
   81   3HD2  LEU  11          HD23      LEU  11  45.387   9.233  -6.561
   82    H    GLU  12           HN       GLU  12  47.898   9.511  -1.585
   83    HA   GLU  12           HA       GLU  12  47.595   6.754  -1.124
   84   1HB   GLU  12          HB2       GLU  12  49.754   8.032  -0.908
   85   2HB   GLU  12          HB1       GLU  12  49.181   8.621   0.660
   86   1HG   GLU  12          HG2       GLU  12  48.829   6.251   1.364
   87   2HG   GLU  12          HG1       GLU  12  49.543   5.743  -0.155
   88    H    GLN  13           HN       GLN  13  46.459   9.463   0.736
   89    HA   GLN  13           HA       GLN  13  46.117   8.388   3.279
   90   1HB   GLN  13          HB2       GLN  13  44.260  10.165   1.676
   91   2HB   GLN  13          HB1       GLN  13  44.168   9.942   3.426
   92   1HG   GLN  13          HG2       GLN  13  46.398  10.825   3.721
   93   2HG   GLN  13          HG1       GLN  13  46.653  10.903   1.982
   94   1HE2  GLN  13          HE21      GLN  13  47.048  13.302   2.789
   95   2HE2  GLN  13          HE22      GLN  13  45.691  14.311   2.679
   96    H    GLN  14           HN       GLN  14  44.148   7.781   0.356
   97    HA   GLN  14           HA       GLN  14  42.023   6.395   1.661
   98   1HB   GLN  14          HB2       GLN  14  42.120   6.989  -0.802
   99   2HB   GLN  14          HB1       GLN  14  43.262   5.663  -1.014
  100   1HG   GLN  14          HG2       GLN  14  41.597   4.070  -0.157
  101   2HG   GLN  14          HG1       GLN  14  40.455   5.390   0.100
  102   1HE2  GLN  14          HE21      GLN  14  39.564   3.417  -1.600
  103   2HE2  GLN  14          HE22      GLN  14  39.622   3.934  -3.215
  104    H    TYR  15           HN       TYR  15  45.222   5.327   0.530
  105    HA   TYR  15           HA       TYR  15  44.922   2.596   1.392
  106   1HB   TYR  15          HB2       TYR  15  47.295   4.278   0.632
  107   2HB   TYR  15          HB1       TYR  15  47.511   2.663   1.303
  108    HD1  TYR  15           HD1      TYR  15  48.006   1.131  -0.357
  109    HD2  TYR  15           HD2      TYR  15  45.035   4.145  -1.117
  110    HE1  TYR  15           HE1      TYR  15  47.524   0.092  -2.550
  111    HE2  TYR  15           HE2      TYR  15  44.558   3.111  -3.321
  112    HH   TYR  15           HH       TYR  15  45.237   1.588  -4.825
  113    H    ASN  16           HN       ASN  16  45.968   5.547   2.983
  114    HA   ASN  16           HA       ASN  16  47.455   4.502   5.108
  115   1HB   ASN  16          HB2       ASN  16  47.032   6.926   4.603
  116   2HB   ASN  16          HB1       ASN  16  45.473   6.757   5.411
  117   1HD2  ASN  16          HD21      ASN  16  46.386   8.349   7.037
  118   2HD2  ASN  16          HD22      ASN  16  47.403   7.768   8.264
  119    H    LYS  17           HN       LYS  17  43.862   4.698   4.959
  120    HA   LYS  17           HA       LYS  17  43.600   3.770   7.677
  121   1HB   LYS  17          HB2       LYS  17  41.747   4.958   6.742
  122   2HB   LYS  17          HB1       LYS  17  41.590   3.820   5.417
  123   1HG   LYS  17          HG2       LYS  17  41.516   2.535   8.053
  124   2HG   LYS  17          HG1       LYS  17  40.207   3.688   7.804
  125   1HD   LYS  17          HD2       LYS  17  40.877   1.654   5.687
  126   2HD   LYS  17          HD1       LYS  17  39.839   1.228   7.044
  127   1HE   LYS  17          HE2       LYS  17  39.316   3.684   5.370
  128   2HE   LYS  17          HE1       LYS  17  38.674   2.104   4.920
  129   1HZ   LYS  17          HZ1       LYS  17  37.866   2.064   7.353
  130   2HZ   LYS  17          HZ2       LYS  17  37.000   2.977   6.211
  131   3HZ   LYS  17          HZ3       LYS  17  38.067   3.747   7.286
  132    HA   PRO  18           HA       PRO  18  42.826  -0.598   5.754
  133   1HB   PRO  18          HB2       PRO  18  43.528  -1.042   3.182
  134   2HB   PRO  18          HB1       PRO  18  41.943  -0.369   3.625
  135   1HG   PRO  18          HG2       PRO  18  44.416   1.061   2.760
  136   2HG   PRO  18          HG1       PRO  18  42.758   1.238   2.148
  137   1HD   PRO  18          HD2       PRO  18  43.736   2.964   3.954
  138   2HD   PRO  18          HD1       PRO  18  42.052   2.420   4.023
  139    H    LEU  19           HN       LEU  19  45.760   1.162   5.715
  140    HA   LEU  19           HA       LEU  19  47.552  -0.654   4.583
  141   1HB   LEU  19          HB2       LEU  19  48.020   0.864   7.160
  142   2HB   LEU  19          HB1       LEU  19  49.275   0.103   6.180
  143    HG   LEU  19           HG       LEU  19  47.451   2.373   5.361
  144   1HD1  LEU  19          HD11      LEU  19  49.464   2.910   6.776
  145   2HD1  LEU  19          HD12      LEU  19  49.515   3.640   5.171
  146   3HD1  LEU  19          HD13      LEU  19  50.475   2.202   5.514
  147   1HD2  LEU  19          HD21      LEU  19  49.253   0.551   3.789
  148   2HD2  LEU  19          HD22      LEU  19  49.048   2.227   3.278
  149   3HD2  LEU  19          HD23      LEU  19  47.653   1.155   3.366
  150    H    SER  20           HN       SER  20  46.065  -0.897   7.848
  151    HA   SER  20           HA       SER  20  47.478  -3.330   8.486
  152   1HB   SER  20          HB2       SER  20  44.631  -2.594   9.259
  153   2HB   SER  20          HB1       SER  20  45.671  -3.756  10.077
  154    HG   SER  20           HG       SER  20  46.161  -0.969   9.786
  155    H    ASP  21           HN       ASP  21  44.530  -2.528   6.739
  156    HA   ASP  21           HA       ASP  21  43.713  -5.192   6.035
  157   1HB   ASP  21          HB2       ASP  21  43.174  -2.516   4.742
  158   2HB   ASP  21          HB1       ASP  21  42.392  -4.008   4.258
  159    H    LEU  22           HN       LEU  22  45.845  -2.819   4.523
  160    HA   LEU  22           HA       LEU  22  46.169  -4.344   2.078
  161   1HB   LEU  22          HB2       LEU  22  47.985  -2.174   3.155
  162   2HB   LEU  22          HB1       LEU  22  47.916  -2.763   1.499
  163    HG   LEU  22           HG       LEU  22  45.734  -1.280   2.983
  164   1HD1  LEU  22          HD11      LEU  22  47.874  -0.268   1.658
  165   2HD1  LEU  22          HD12      LEU  22  46.307   0.540   1.745
  166   3HD1  LEU  22          HD13      LEU  22  46.720  -0.435   0.335
  167   1HD2  LEU  22          HD21      LEU  22  45.725  -2.863   0.430
  168   2HD2  LEU  22          HD22      LEU  22  44.694  -1.440   0.579
  169   3HD2  LEU  22          HD23      LEU  22  44.499  -2.792   1.696
  170    H    LEU  23           HN       LEU  23  48.252  -5.283   1.425
  171    HA   LEU  23           HA       LEU  23  49.231  -7.030   3.554
  172   1HB   LEU  23          HB2       LEU  23  50.339  -6.689   0.748
  173   2HB   LEU  23          HB1       LEU  23  50.521  -8.085   1.792
  174    HG   LEU  23           HG       LEU  23  48.516  -8.975   1.148
  175   1HD1  LEU  23          HD11      LEU  23  47.188  -7.111   2.239
  176   2HD1  LEU  23          HD12      LEU  23  46.457  -7.781   0.789
  177   3HD1  LEU  23          HD13      LEU  23  47.292  -6.234   0.702
  178   1HD2  LEU  23          HD21      LEU  23  48.079  -8.578  -1.152
  179   2HD2  LEU  23          HD22      LEU  23  49.785  -8.180  -0.936
  180   3HD2  LEU  23          HD23      LEU  23  48.584  -6.890  -1.034
  181    H    ILE  24           HN       ILE  24  50.998  -6.408   4.844
  182    HA   ILE  24           HA       ILE  24  52.880  -4.448   3.576
  183    HB   ILE  24           HB       ILE  24  52.202  -4.648   6.522
  184   1HG1  ILE  24          HG12      ILE  24  50.263  -3.827   5.273
  185   2HG1  ILE  24          HG11      ILE  24  51.011  -2.482   6.124
  186   1HG2  ILE  24          HG21      ILE  24  53.342  -2.163   5.511
  187   2HG2  ILE  24          HG22      ILE  24  54.405  -3.536   5.203
  188   3HG2  ILE  24          HG23      ILE  24  53.885  -3.176   6.849
  189   1HD1  ILE  24          HD11      ILE  24  50.878  -1.477   4.077
  190   2HD1  ILE  24          HD12      ILE  24  50.840  -3.009   3.212
  191   3HD1  ILE  24          HD13      ILE  24  52.375  -2.358   3.785
  192    H    ARG  25           HN       ARG  25  54.792  -5.372   3.185
  193    HA   ARG  25           HA       ARG  25  56.242  -6.727   5.303
  194   1HB   ARG  25          HB2       ARG  25  55.471  -8.294   2.840
  195   2HB   ARG  25          HB1       ARG  25  56.781  -8.752   3.914
  196   1HG   ARG  25          HG2       ARG  25  55.119  -8.784   5.812
  197   2HG   ARG  25          HG1       ARG  25  53.842  -8.527   4.614
  198   1HD   ARG  25          HD2       ARG  25  54.782 -10.563   3.376
  199   2HD   ARG  25          HD1       ARG  25  55.744 -10.869   4.815
  200    HE   ARG  25           HE       ARG  25  53.053 -10.576   5.658
  201   1HH1  ARG  25          HH21      ARG  25  55.071 -12.613   3.740
  202   2HH1  ARG  25          HH22      ARG  25  54.142 -14.042   4.040
  203   1HH2  ARG  25          HH11      ARG  25  51.823 -12.436   6.058
  204   2HH2  ARG  25          HH12      ARG  25  52.305 -13.942   5.351
  205    H    CYS  26           HN       CYS  26  58.456  -6.566   4.964
  206    HA   CYS  26           HA       CYS  26  59.408  -4.825   2.810
  207   1HB   CYS  26          HB2       CYS  26  60.590  -6.383   5.044
  208   2HB   CYS  26          HB1       CYS  26  61.642  -5.848   3.777
  209    H    ILE  27           HN       ILE  27  60.782  -5.604   1.047
  210    HA   ILE  27           HA       ILE  27  60.267  -8.310   0.207
  211    HB   ILE  27           HB       ILE  27  61.124  -6.399  -1.282
  212   1HG1  ILE  27          HG12      ILE  27  62.826  -8.880  -1.426
  213   2HG1  ILE  27          HG11      ILE  27  61.089  -8.953  -1.707
  214   1HG2  ILE  27          HG21      ILE  27  63.338  -5.733  -1.171
  215   2HG2  ILE  27          HG22      ILE  27  63.873  -7.273  -0.497
  216   3HG2  ILE  27          HG23      ILE  27  63.064  -6.093   0.533
  217   1HD1  ILE  27          HD11      ILE  27  62.347  -8.657  -3.830
  218   2HD1  ILE  27          HD12      ILE  27  63.025  -7.155  -3.200
  219   3HD1  ILE  27          HD13      ILE  27  61.292  -7.283  -3.502
  220    H    ASN  28           HN       ASN  28  62.513  -6.711   2.304
  221    HA   ASN  28           HA       ASN  28  64.095  -9.198   2.694
  222   1HB   ASN  28          HB2       ASN  28  65.821  -7.766   2.992
  223   2HB   ASN  28          HB1       ASN  28  64.734  -6.415   2.746
  224   1HD2  ASN  28          HD21      ASN  28  65.539  -5.032   4.403
  225   2HD2  ASN  28          HD22      ASN  28  65.504  -5.426   6.050
  226    H    CYS  29           HN       CYS  29  62.752  -6.652   4.823
  227    HA   CYS  29           HA       CYS  29  62.529  -8.572   7.010
  228   1HB   CYS  29          HB2       CYS  29  61.242  -5.868   7.147
  229   2HB   CYS  29          HB1       CYS  29  62.106  -6.752   8.402
  230    H    GLN  30           HN       GLN  30  61.080  -9.969   5.786
  231    HA   GLN  30           HA       GLN  30  58.504  -9.412   4.908
  232   1HB   GLN  30          HB2       GLN  30  59.401 -11.896   6.391
  233   2HB   GLN  30          HB1       GLN  30  57.983 -11.772   5.343
  234   1HG   GLN  30          HG2       GLN  30  60.865 -11.386   4.527
  235   2HG   GLN  30          HG1       GLN  30  59.815 -12.707   4.076
  236   1HE2  GLN  30          HE21      GLN  30  61.053  -9.968   2.901
  237   2HE2  GLN  30          HE22      GLN  30  59.835  -9.478   1.853
  238    H    LYS  31           HN       LYS  31  59.694  -9.837   8.161
  239    HA   LYS  31           HA       LYS  31  57.224 -10.162   9.512
  240   1HB   LYS  31          HB2       LYS  31  58.327  -9.390  11.477
  241   2HB   LYS  31          HB1       LYS  31  59.611 -10.125  10.517
  242   1HG   LYS  31          HG2       LYS  31  60.074  -7.821   9.563
  243   2HG   LYS  31          HG1       LYS  31  58.969  -7.178  10.778
  244   1HD   LYS  31          HD2       LYS  31  60.347  -8.060  12.575
  245   2HD   LYS  31          HD1       LYS  31  61.400  -8.873  11.417
  246   1HE   LYS  31          HE2       LYS  31  61.149  -6.060  10.763
  247   2HE   LYS  31          HE1       LYS  31  61.702  -6.263  12.426
  248   1HZ   LYS  31          HZ1       LYS  31  63.689  -6.836  11.681
  249   2HZ   LYS  31          HZ2       LYS  31  63.174  -6.570  10.083
  250   3HZ   LYS  31          HZ3       LYS  31  63.030  -8.113  10.780
  251    HA   PRO  32           HA       PRO  32  54.885  -6.515   8.731
  252   1HB   PRO  32          HB2       PRO  32  54.940  -6.064  11.702
  253   2HB   PRO  32          HB1       PRO  32  53.563  -5.997  10.580
  254   1HG   PRO  32          HG2       PRO  32  53.911  -8.119  12.096
  255   2HG   PRO  32          HG1       PRO  32  53.420  -8.302  10.411
  256   1HD   PRO  32          HD2       PRO  32  56.089  -8.824  11.662
  257   2HD   PRO  32          HD1       PRO  32  55.292  -9.647  10.299
  258    H    LEU  33           HN       LEU  33  55.260  -4.302   8.451
  259    HA   LEU  33           HA       LEU  33  58.010  -3.409   9.087
  260   1HB   LEU  33          HB2       LEU  33  56.883  -3.318   6.778
  261   2HB   LEU  33          HB1       LEU  33  55.918  -2.008   7.431
  262    HG   LEU  33           HG       LEU  33  58.345  -1.139   8.161
  263   1HD1  LEU  33          HD11      LEU  33  58.733  -2.888   5.725
  264   2HD1  LEU  33          HD12      LEU  33  59.608  -2.969   7.255
  265   3HD1  LEU  33          HD13      LEU  33  59.858  -1.605   6.165
  266   1HD2  LEU  33          HD21      LEU  33  57.038  -0.832   5.436
  267   2HD2  LEU  33          HD22      LEU  33  58.318   0.217   6.048
  268   3HD2  LEU  33          HD23      LEU  33  56.758   0.169   6.853
  269    H    SER  34           HN       SER  34  58.473  -1.993  10.593
  270    HA   SER  34           HA       SER  34  56.610  -1.090  12.473
  271   1HB   SER  34          HB2       SER  34  59.305  -1.085  12.399
  272   2HB   SER  34          HB1       SER  34  59.022   0.586  11.922
  273    HG   SER  34           HG       SER  34  57.406  -0.068  13.956
  274    HA   PRO  35           HA       PRO  35  54.628   1.825   9.899
  275   1HB   PRO  35          HB2       PRO  35  53.606   3.447  11.912
  276   2HB   PRO  35          HB1       PRO  35  52.852   1.999  11.223
  277   1HG   PRO  35          HG2       PRO  35  54.263   2.330  13.769
  278   2HG   PRO  35          HG1       PRO  35  53.000   1.188  13.301
  279   1HD   PRO  35          HD2       PRO  35  55.658   0.528  13.574
  280   2HD   PRO  35          HD1       PRO  35  54.482  -0.384  12.602
  281    H    GLU  36           HN       GLU  36  57.238   2.536  11.934
  282    HA   GLU  36           HA       GLU  36  57.326   5.405  11.510
  283   1HB   GLU  36          HB2       GLU  36  59.571   3.414  12.000
  284   2HB   GLU  36          HB1       GLU  36  59.761   5.167  12.038
  285   1HG   GLU  36          HG2       GLU  36  57.902   3.565  13.820
  286   2HG   GLU  36          HG1       GLU  36  59.449   4.255  14.313
  287    H    GLU  37           HN       GLU  37  58.623   2.589   9.800
  288    HA   GLU  37           HA       GLU  37  59.818   4.143   7.664
  289   1HB   GLU  37          HB2       GLU  37  59.043   1.218   7.850
  290   2HB   GLU  37          HB1       GLU  37  59.940   1.924   6.503
  291   1HG   GLU  37          HG2       GLU  37  61.685   2.693   8.099
  292   2HG   GLU  37          HG1       GLU  37  60.806   1.907   9.409
  293    H    LYS  38           HN       LYS  38  56.688   2.591   8.238
  294    HA   LYS  38           HA       LYS  38  55.620   2.879   5.619
  295   1HB   LYS  38          HB2       LYS  38  54.170   3.177   8.268
  296   2HB   LYS  38          HB1       LYS  38  53.396   2.966   6.707
  297   1HG   LYS  38          HG2       LYS  38  54.509   0.760   6.480
  298   2HG   LYS  38          HG1       LYS  38  55.183   0.954   8.098
  299   1HD   LYS  38          HD2       LYS  38  52.800   1.293   8.933
  300   2HD   LYS  38          HD1       LYS  38  52.255   0.814   7.328
  301   1HE   LYS  38          HE2       LYS  38  54.138  -1.118   8.114
  302   2HE   LYS  38          HE1       LYS  38  53.110  -0.855   9.515
  303   1HZ   LYS  38          HZ1       LYS  38  51.723  -2.238   8.478
  304   2HZ   LYS  38          HZ2       LYS  38  52.480  -2.046   6.969
  305   3HZ   LYS  38          HZ3       LYS  38  51.336  -0.909   7.499
  306    H    GLN  39           HN       GLN  39  55.911   4.932   8.422
  307    HA   GLN  39           HA       GLN  39  54.399   7.075   7.446
  308   1HB   GLN  39          HB2       GLN  39  55.116   6.935   9.794
  309   2HB   GLN  39          HB1       GLN  39  56.781   7.264   9.293
  310   1HG   GLN  39          HG2       GLN  39  55.662   9.349  10.001
  311   2HG   GLN  39          HG1       GLN  39  56.044   9.398   8.275
  312   1HE2  GLN  39          HE21      GLN  39  54.303   8.919   6.762
  313   2HE2  GLN  39          HE22      GLN  39  52.684   9.138   7.196
  314    H    ARG  40           HN       ARG  40  57.872   6.411   6.994
  315    HA   ARG  40           HA       ARG  40  58.404   8.899   5.680
  316   1HB   ARG  40          HB2       ARG  40  59.716   6.191   5.314
  317   2HB   ARG  40          HB1       ARG  40  60.361   7.710   4.690
  318   1HG   ARG  40          HG2       ARG  40  60.395   8.610   7.019
  319   2HG   ARG  40          HG1       ARG  40  59.868   7.031   7.605
  320   1HD   ARG  40          HD2       ARG  40  61.898   6.031   6.484
  321   2HD   ARG  40          HD1       ARG  40  62.450   7.673   6.155
  322    HE   ARG  40           HE       ARG  40  61.931   7.617   8.900
  323   1HH1  ARG  40          HH21      ARG  40  63.866   5.911   6.611
  324   2HH1  ARG  40          HH22      ARG  40  65.116   5.534   7.750
  325   1HH2  ARG  40          HH11      ARG  40  63.553   7.135  10.399
  326   2HH2  ARG  40          HH12      ARG  40  64.938   6.227   9.893
  327    H    HIS  41           HN       HIS  41  57.316   5.732   4.377
  328    HA   HIS  41           HA       HIS  41  57.279   6.885   1.679
  329   1HB   HIS  41          HB2       HIS  41  56.424   4.794   0.874
  330   2HB   HIS  41          HB1       HIS  41  57.609   4.371   2.097
  331    HD1  HIS  41           HD1      HIS  41  53.978   5.450   2.558
  332    HD2  HIS  41           HD2      HIS  41  56.449   2.180   3.296
  333    HE1  HIS  41           HE1      HIS  41  52.572   3.764   3.819
  334    H    LEU  42           HN       LEU  42  55.072   6.345   4.297
  335    HA   LEU  42           HA       LEU  42  52.656   6.798   2.884
  336   1HB   LEU  42          HB2       LEU  42  52.848   5.920   5.236
  337   2HB   LEU  42          HB1       LEU  42  53.254   7.558   5.740
  338    HG   LEU  42           HG       LEU  42  51.073   8.314   4.705
  339   1HD1  LEU  42          HD11      LEU  42  51.106   5.566   3.847
  340   2HD1  LEU  42          HD12      LEU  42  49.925   6.818   3.460
  341   3HD1  LEU  42          HD13      LEU  42  49.707   5.813   4.893
  342   1HD2  LEU  42          HD21      LEU  42  50.562   8.244   6.915
  343   2HD2  LEU  42          HD22      LEU  42  51.558   6.808   7.161
  344   3HD2  LEU  42          HD23      LEU  42  49.885   6.640   6.626
  345    H    ASP  43           HN       ASP  43  54.987   8.997   4.407
  346    HA   ASP  43           HA       ASP  43  53.403  11.338   3.992
  347   1HB   ASP  43          HB2       ASP  43  56.387  10.999   4.314
  348   2HB   ASP  43          HB1       ASP  43  55.573  12.564   4.289
  349    H    LYS  44           HN       LYS  44  56.197  10.107   2.076
  350    HA   LYS  44           HA       LYS  44  54.905  10.834  -0.427
  351   1HB   LYS  44          HB2       LYS  44  57.213  12.640   0.368
  352   2HB   LYS  44          HB1       LYS  44  56.430  12.598  -1.201
  353   1HG   LYS  44          HG2       LYS  44  55.084  13.441   1.385
  354   2HG   LYS  44          HG1       LYS  44  55.714  14.522   0.164
  355   1HD   LYS  44          HD2       LYS  44  54.218  13.529  -1.533
  356   2HD   LYS  44          HD1       LYS  44  53.499  12.496  -0.309
  357   1HE   LYS  44          HE2       LYS  44  52.021  14.201  -0.033
  358   2HE   LYS  44          HE1       LYS  44  53.325  14.976   0.869
  359   1HZ   LYS  44          HZ1       LYS  44  52.613  16.503  -0.767
  360   2HZ   LYS  44          HZ2       LYS  44  52.644  15.329  -1.995
  361   3HZ   LYS  44          HZ3       LYS  44  54.096  15.888  -1.311
  362    H    LYS  45           HN       LYS  45  55.720   8.607  -0.785
  363    HA   LYS  45           HA       LYS  45  58.683   8.412  -0.922
  364   1HB   LYS  45          HB2       LYS  45  57.250   6.431  -0.231
  365   2HB   LYS  45          HB1       LYS  45  56.744   6.324  -1.905
  366   1HG   LYS  45          HG2       LYS  45  59.116   6.188  -2.603
  367   2HG   LYS  45          HG1       LYS  45  59.602   6.236  -0.908
  368   1HD   LYS  45          HD2       LYS  45  58.286   4.198  -0.476
  369   2HD   LYS  45          HD1       LYS  45  57.865   4.125  -2.184
  370   1HE   LYS  45          HE2       LYS  45  59.715   2.712  -2.141
  371   2HE   LYS  45          HE1       LYS  45  60.490   4.253  -2.508
  372   1HZ   LYS  45          HZ1       LYS  45  61.732   3.768  -0.727
  373   2HZ   LYS  45          HZ2       LYS  45  60.616   2.647  -0.109
  374   3HZ   LYS  45          HZ3       LYS  45  60.398   4.309   0.169
  375    H    GLN  46           HN       GLN  46  59.853   8.515  -2.845
  376    HA   GLN  46           HA       GLN  46  58.658   9.751  -5.118
  377   1HB   GLN  46          HB2       GLN  46  61.149   8.016  -4.938
  378   2HB   GLN  46          HB1       GLN  46  60.733   9.042  -6.313
  379   1HG   GLN  46          HG2       GLN  46  60.775  11.025  -4.870
  380   2HG   GLN  46          HG1       GLN  46  61.146  10.015  -3.474
  381   1HE2  GLN  46          HE21      GLN  46  62.976  11.969  -4.026
  382   2HE2  GLN  46          HE22      GLN  46  64.382  11.318  -4.719
  383    H    ARG  47           HN       ARG  47  59.245   6.358  -4.262
  384    HA   ARG  47           HA       ARG  47  57.108   5.568  -6.114
  385   1HB   ARG  47          HB2       ARG  47  59.944   4.579  -6.425
  386   2HB   ARG  47          HB1       ARG  47  58.545   3.823  -7.190
  387   1HG   ARG  47          HG2       ARG  47  58.003   6.016  -8.258
  388   2HG   ARG  47          HG1       ARG  47  59.493   6.674  -7.582
  389   1HD   ARG  47          HD2       ARG  47  60.760   4.867  -8.772
  390   2HD   ARG  47          HD1       ARG  47  59.251   4.386  -9.548
  391    HE   ARG  47           HE       ARG  47  59.237   6.486 -10.743
  392   1HH1  ARG  47          HH21      ARG  47  61.972   5.982  -8.685
  393   2HH1  ARG  47          HH22      ARG  47  62.924   7.215  -9.439
  394   1HH2  ARG  47          HH11      ARG  47  60.476   8.094 -11.726
  395   2HH2  ARG  47          HH12      ARG  47  62.080   8.407 -11.155
  396    H    PHE  48           HN       PHE  48  55.885   4.195  -4.969
  397    HA   PHE  48           HA       PHE  48  57.233   2.308  -3.073
  398   1HB   PHE  48          HB2       PHE  48  55.522   4.198  -2.243
  399   2HB   PHE  48          HB1       PHE  48  54.324   3.053  -2.824
  400    HD1  PHE  48           HD1      PHE  48  53.300   2.324  -0.824
  401    HD2  PHE  48           HD2      PHE  48  57.591   2.251  -1.090
  402    HE1  PHE  48           HE1      PHE  48  53.415   1.102   1.308
  403    HE2  PHE  48           HE2      PHE  48  57.690   1.023   1.040
  404    HZ   PHE  48           HZ       PHE  48  55.606   0.457   2.244
  405    H    HIS  49           HN       HIS  49  56.870   0.109  -3.593
  406    HA   HIS  49           HA       HIS  49  55.058  -0.282  -5.941
  407   1HB   HIS  49          HB2       HIS  49  57.491  -1.858  -5.090
  408   2HB   HIS  49          HB1       HIS  49  56.480  -2.224  -6.487
  409    HD1  HIS  49           HD1      HIS  49  56.225  -0.081  -8.225
  410    HD2  HIS  49           HD2      HIS  49  59.535  -0.093  -5.689
  411    HE1  HIS  49           HE1      HIS  49  57.900   1.534  -9.225
  412    H    ASN  50           HN       ASN  50  53.546  -1.853  -5.976
  413    HA   ASN  50           HA       ASN  50  53.147  -3.414  -3.466
  414   1HB   ASN  50          HB2       ASN  50  51.345  -1.809  -3.990
  415   2HB   ASN  50          HB1       ASN  50  51.119  -2.598  -5.529
  416   1HD2  ASN  50          HD21      ASN  50  51.309  -3.547  -2.071
  417   2HD2  ASN  50          HD22      ASN  50  50.055  -4.685  -2.157
  418    H    ILE  51           HN       ILE  51  53.291  -5.546  -3.593
  419    HA   ILE  51           HA       ILE  51  52.972  -6.878  -6.249
  420    HB   ILE  51           HB       ILE  51  54.598  -7.839  -3.867
  421   1HG1  ILE  51          HG12      ILE  51  55.492  -6.748  -6.543
  422   2HG1  ILE  51          HG11      ILE  51  55.589  -5.872  -5.019
  423   1HG2  ILE  51          HG21      ILE  51  55.338  -9.159  -6.237
  424   2HG2  ILE  51          HG22      ILE  51  53.576  -9.124  -6.263
  425   3HG2  ILE  51          HG23      ILE  51  54.423  -9.841  -4.893
  426   1HD1  ILE  51          HD11      ILE  51  56.971  -7.803  -4.128
  427   2HD1  ILE  51          HD12      ILE  51  57.748  -6.848  -5.392
  428   3HD1  ILE  51          HD13      ILE  51  57.037  -8.413  -5.781
  429    H    ARG  52           HN       ARG  52  51.430  -8.594  -6.238
  430    HA   ARG  52           HA       ARG  52  49.374  -8.468  -4.337
  431   1HB   ARG  52          HB2       ARG  52  50.265 -10.873  -5.961
  432   2HB   ARG  52          HB1       ARG  52  48.710 -10.734  -5.137
  433   1HG   ARG  52          HG2       ARG  52  48.227  -8.683  -6.475
  434   2HG   ARG  52          HG1       ARG  52  49.738  -8.933  -7.351
  435   1HD   ARG  52          HD2       ARG  52  48.888 -11.230  -7.981
  436   2HD   ARG  52          HD1       ARG  52  47.329 -10.769  -7.295
  437    HE   ARG  52           HE       ARG  52  48.410  -9.858  -9.842
  438   1HH1  ARG  52          HH21      ARG  52  46.382  -9.148  -7.144
  439   2HH1  ARG  52          HH22      ARG  52  45.382  -8.038  -8.021
  440   1HH2  ARG  52          HH11      ARG  52  47.116  -8.414 -10.998
  441   2HH2  ARG  52          HH12      ARG  52  45.797  -7.624 -10.203
  442    H    GLY  53           HN       GLY  53  48.998  -9.466  -2.380
  443   1HA   GLY  53          HA2       GLY  53  49.430 -10.674  -0.425
  444   2HA   GLY  53          HA1       GLY  53  50.548 -11.661  -1.360
  445    H    ARG  54           HN       ARG  54  52.217  -9.259  -2.143
  446    HA   ARG  54           HA       ARG  54  53.371  -8.688   0.562
  447   1HB   ARG  54          HB2       ARG  54  54.853  -9.464  -1.961
  448   2HB   ARG  54          HB1       ARG  54  55.629  -8.910  -0.478
  449   1HG   ARG  54          HG2       ARG  54  54.527 -10.785   0.752
  450   2HG   ARG  54          HG1       ARG  54  53.884 -11.370  -0.783
  451   1HD   ARG  54          HD2       ARG  54  56.817 -11.057  -0.080
  452   2HD   ARG  54          HD1       ARG  54  55.940 -12.580  -0.232
  453    HE   ARG  54           HE       ARG  54  55.988 -10.813  -2.609
  454   1HH1  ARG  54          HH21      ARG  54  57.108 -13.591  -0.893
  455   2HH1  ARG  54          HH22      ARG  54  57.749 -14.364  -2.302
  456   1HH2  ARG  54          HH11      ARG  54  56.820 -11.812  -4.455
  457   2HH2  ARG  54          HH12      ARG  54  57.587 -13.358  -4.318
  458    H    TRP  55           HN       TRP  55  54.403  -6.672   0.827
  459    HA   TRP  55           HA       TRP  55  53.962  -4.737  -1.406
  460   1HB   TRP  55          HB2       TRP  55  53.189  -4.592   1.333
  461   2HB   TRP  55          HB1       TRP  55  54.444  -3.385   1.075
  462    HD1  TRP  55           HD1      TRP  55  50.824  -4.119   0.256
  463    HE1  TRP  55           HE1      TRP  55  49.876  -2.234  -1.210
  464    HE3  TRP  55           HE3      TRP  55  55.122  -1.594  -0.797
  465    HZ2  TRP  55           HZ2      TRP  55  50.822   0.025  -2.681
  466    HZ3  TRP  55           HZ3      TRP  55  55.062   0.420  -2.215
  467    HH2  TRP  55           HH2      TRP  55  52.934   1.238  -3.158
  468    H    THR  56           HN       THR  56  55.732  -3.394  -1.991
  469    HA   THR  56           HA       THR  56  58.298  -3.998  -0.612
  470    HB   THR  56           HB       THR  56  59.437  -4.338  -2.688
  471    HG1  THR  56           HG1      THR  56  58.349  -2.789  -3.914
  472   1HG2  THR  56          HG21      THR  56  58.457  -6.363  -3.387
  473   2HG2  THR  56          HG22      THR  56  56.820  -5.778  -3.086
  474   3HG2  THR  56          HG23      THR  56  57.883  -6.168  -1.733
  475    H    GLY  57           HN       GLY  57  60.074  -2.527  -1.332
  476   1HA   GLY  57          HA2       GLY  57  60.833  -0.363  -2.110
  477   2HA   GLY  57          HA1       GLY  57  59.165   0.215  -2.042
  478    H    ARG  58           HN       ARG  58  58.755  -1.124   0.551
  479    HA   ARG  58           HA       ARG  58  59.472   1.024   2.313
  480   1HB   ARG  58          HB2       ARG  58  58.622  -0.441   4.051
  481   2HB   ARG  58          HB1       ARG  58  57.534  -0.444   2.672
  482   1HG   ARG  58          HG2       ARG  58  58.909  -2.512   1.889
  483   2HG   ARG  58          HG1       ARG  58  59.464  -2.587   3.564
  484   1HD   ARG  58          HD2       ARG  58  57.463  -3.957   3.272
  485   2HD   ARG  58          HD1       ARG  58  57.106  -2.618   4.325
  486    HE   ARG  58           HE       ARG  58  56.371  -2.618   1.428
  487   1HH1  ARG  58          HH21      ARG  58  55.709  -2.030   4.778
  488   2HH1  ARG  58          HH22      ARG  58  54.234  -1.189   4.463
  489   1HH2  ARG  58          HH11      ARG  58  54.442  -1.516   1.029
  490   2HH2  ARG  58          HH12      ARG  58  53.514  -0.906   2.358
  491    H    CYS  59           HN       CYS  59  60.881  -2.152   1.688
  492    HA   CYS  59           HA       CYS  59  62.694  -2.042   3.864
  493   1HB   CYS  59          HB2       CYS  59  62.177  -3.996   2.159
  494   2HB   CYS  59          HB1       CYS  59  63.589  -3.329   1.326
  495    H    MET  60           HN       MET  60  62.736  -0.537   0.696
  496    HA   MET  60           HA       MET  60  65.478   0.171   0.581
  497   1HB   MET  60          HB2       MET  60  63.740   0.656  -1.206
  498   2HB   MET  60          HB1       MET  60  63.155   1.973  -0.188
  499   1HG   MET  60          HG2       MET  60  65.481   2.929  -0.204
  500   2HG   MET  60          HG1       MET  60  65.928   1.689  -1.375
  501   1HE   MET  60          HE1       MET  60  63.023   1.683  -3.366
  502   2HE   MET  60          HE2       MET  60  64.684   1.110  -3.248
  503   3HE   MET  60          HE3       MET  60  64.252   2.283  -4.489
  504    H    SER  61           HN       SER  61  62.744   1.510   2.381
  505    HA   SER  61           HA       SER  61  64.145   3.763   3.480
  506   1HB   SER  61          HB2       SER  61  62.347   3.863   5.101
  507   2HB   SER  61          HB1       SER  61  61.645   3.426   3.547
  508    HG   SER  61           HG       SER  61  60.839   2.013   5.047
  509    H    CYS  62           HN       CYS  62  63.997   0.335   4.305
  510    HA   CYS  62           HA       CYS  62  65.123   0.518   6.926
  511   1HB   CYS  62          HB2       CYS  62  65.345  -1.724   4.871
  512   2HB   CYS  62          HB1       CYS  62  65.895  -1.832   6.532
  513    H    SER  63           HN       SER  63  66.526   0.671   3.724
  514    HA   SER  63           HA       SER  63  69.186   1.119   5.039
  515   1HB   SER  63          HB2       SER  63  70.272   0.032   3.147
  516   2HB   SER  63          HB1       SER  63  69.085  -1.065   3.845
  517    HG   SER  63           HG       SER  63  68.420   0.690   1.736
  518    H    ARG  64           HN       ARG  64  70.602   2.609   3.918
  519    HA   ARG  64           HA       ARG  64  69.172   4.410   2.004
  520   1HB   ARG  64          HB2       ARG  64  71.109   5.172   4.212
  521   2HB   ARG  64          HB1       ARG  64  70.485   6.288   2.999
  522   1HG   ARG  64          HG2       ARG  64  68.163   5.740   3.763
  523   2HG   ARG  64          HG1       ARG  64  68.860   4.761   5.053
  524   1HD   ARG  64          HD2       ARG  64  69.285   7.733   4.629
  525   2HD   ARG  64          HD1       ARG  64  68.341   6.987   5.917
  526    HE   ARG  64           HE       ARG  64  71.270   7.134   5.786
  527   1HH1  ARG  64          HH21      ARG  64  68.448   5.643   7.089
  528   2HH1  ARG  64          HH22      ARG  64  69.249   5.068   8.514
  529   1HH2  ARG  64          HH11      ARG  64  72.331   6.394   7.632
  530   2HH2  ARG  64          HH12      ARG  64  71.450   5.493   8.821
  531    H    SER  65           HN       SER  65  70.508   5.301   0.322
  532    HA   SER  65           HA       SER  65  72.544   3.605  -0.689
  533   1HB   SER  65          HB2       SER  65  71.283   5.332  -2.017
  534   2HB   SER  65          HB1       SER  65  72.254   6.575  -1.234
  535    HG   SER  65           HG       SER  65  73.134   5.913  -3.245
  536    H    SER  66           HN       SER  66  72.719   6.424   1.428
  537    HA   SER  66           HA       SER  66  75.595   5.763   1.898
  538   1HB   SER  66          HB2       SER  66  76.118   8.136   2.057
  539   2HB   SER  66          HB1       SER  66  75.355   7.828   0.500
  540    HG   SER  66           HG       SER  66  73.639   8.399   2.591
  541    H    ARG  67           HN       ARG  67  76.322   6.347   4.087
  542    HA   ARG  67           HA       ARG  67  74.081   6.168   6.026
  543   1HB   ARG  67          HB2       ARG  67  75.998   4.561   6.182
  544   2HB   ARG  67          HB1       ARG  67  77.063   5.927   6.522
  545   1HG   ARG  67          HG2       ARG  67  75.669   6.500   8.495
  546   2HG   ARG  67          HG1       ARG  67  74.661   5.089   8.174
  547   1HD   ARG  67          HD2       ARG  67  76.699   3.650   8.379
  548   2HD   ARG  67          HD1       ARG  67  77.617   5.082   8.844
  549    HE   ARG  67           HE       ARG  67  75.647   3.676  10.512
  550   1HH1  ARG  67          HH21      ARG  67  77.485   6.518   9.862
  551   2HH1  ARG  67          HH22      ARG  67  77.401   7.106  11.489
  552   1HH2  ARG  67          HH11      ARG  67  75.524   4.428  12.640
  553   2HH2  ARG  67          HH12      ARG  67  76.290   5.923  13.063
  Start of MODEL   10
    1    H    ALA   1           HT1      ALA   1  54.688  -2.856  -6.419
    2    HA   ALA   1           HA       ALA   1  57.177  -2.626  -7.102
    3   1HB   ALA   1          HB1       ALA   1  57.611  -4.959  -7.541
    4   2HB   ALA   1          HB2       ALA   1  57.590  -4.124  -9.090
    5   3HB   ALA   1          HB3       ALA   1  56.196  -5.079  -8.588
    6    H    MET   2           HN       MET   2  56.841  -3.051 -10.051
    7    HA   MET   2           HA       MET   2  55.648  -0.581 -10.728
    8   1HB   MET   2          HB2       MET   2  57.274  -1.891 -12.130
    9   2HB   MET   2          HB1       MET   2  55.955  -2.987 -12.539
   10   1HG   MET   2          HG2       MET   2  54.663  -1.008 -13.396
   11   2HG   MET   2          HG1       MET   2  56.101  -0.021 -13.136
   12   1HE   MET   2          HE1       MET   2  58.725  -1.250 -15.463
   13   2HE   MET   2          HE2       MET   2  58.508  -2.237 -14.020
   14   3HE   MET   2          HE3       MET   2  58.290  -0.492 -13.925
   15    H    SER   3           HN       SER   3  54.164  -3.797 -10.449
   16    HA   SER   3           HA       SER   3  51.856  -3.346 -11.993
   17   1HB   SER   3          HB2       SER   3  51.993  -4.768  -9.317
   18   2HB   SER   3          HB1       SER   3  50.744  -4.984 -10.543
   19    HG   SER   3           HG       SER   3  52.068  -6.203 -11.649
   20    H    TYR   4           HN       TYR   4  52.381  -2.426  -8.541
   21    HA   TYR   4           HA       TYR   4  50.460  -0.250  -9.007
   22   1HB   TYR   4          HB2       TYR   4  49.035  -2.163  -8.296
   23   2HB   TYR   4          HB1       TYR   4  49.934  -2.243  -6.787
   24    HD1  TYR   4           HD1      TYR   4  49.621  -0.553  -5.046
   25    HD2  TYR   4           HD2      TYR   4  47.690  -0.192  -8.859
   26    HE1  TYR   4           HE1      TYR   4  48.191   1.240  -4.142
   27    HE2  TYR   4           HE2      TYR   4  46.253   1.611  -7.958
   28    HH   TYR   4           HH       TYR   4  46.897   3.206  -5.073
   29    H    SER   5           HN       SER   5  50.854   1.524  -7.604
   30    HA   SER   5           HA       SER   5  52.656   1.091  -5.315
   31   1HB   SER   5          HB2       SER   5  54.381   2.589  -6.103
   32   2HB   SER   5          HB1       SER   5  54.132   1.318  -7.291
   33    HG   SER   5           HG       SER   5  52.724   3.756  -7.431
   34    H    LEU   6           HN       LEU   6  52.962   3.083  -4.025
   35    HA   LEU   6           HA       LEU   6  50.630   4.929  -4.382
   36   1HB   LEU   6          HB2       LEU   6  52.201   4.312  -1.862
   37   2HB   LEU   6          HB1       LEU   6  50.777   5.345  -1.975
   38    HG   LEU   6           HG       LEU   6  50.890   2.379  -2.582
   39   1HD1  LEU   6          HD11      LEU   6  49.012   3.427  -0.570
   40   2HD1  LEU   6          HD12      LEU   6  50.710   3.627  -0.135
   41   3HD1  LEU   6          HD13      LEU   6  50.074   2.020  -0.490
   42   1HD2  LEU   6          HD21      LEU   6  49.262   3.177  -4.058
   43   2HD2  LEU   6          HD22      LEU   6  48.795   4.495  -2.983
   44   3HD2  LEU   6          HD23      LEU   6  48.303   2.842  -2.617
   45    H    TYR   7           HN       TYR   7  51.082   7.127  -4.579
   46    HA   TYR   7           HA       TYR   7  53.926   7.909  -4.196
   47   1HB   TYR   7          HB2       TYR   7  53.383   7.586  -6.622
   48   2HB   TYR   7          HB1       TYR   7  52.183   8.873  -6.474
   49    HD1  TYR   7           HD1      TYR   7  52.836  11.183  -6.359
   50    HD2  TYR   7           HD2      TYR   7  55.790   8.072  -6.175
   51    HE1  TYR   7           HE1      TYR   7  54.635  12.874  -6.603
   52    HE2  TYR   7           HE2      TYR   7  57.588   9.758  -6.419
   53    HH   TYR   7           HH       TYR   7  57.822  12.278  -5.914
   54    H    GLY   8           HN       GLY   8  50.911   8.410  -3.007
   55   1HA   GLY   8          HA2       GLY   8  50.538  10.224  -1.406
   56   2HA   GLY   8          HA1       GLY   8  51.639  11.229  -2.351
   57    H    THR   9           HN       THR   9  49.721   9.505  -4.421
   58    HA   THR   9           HA       THR   9  48.186  11.865  -5.186
   59    HB   THR   9           HB       THR   9  47.341  10.503  -6.978
   60    HG1  THR   9           HG1      THR   9  47.173   8.678  -5.238
   61   1HG2  THR   9          HG21      THR   9  50.193   9.866  -6.236
   62   2HG2  THR   9          HG22      THR   9  49.602  11.002  -7.448
   63   3HG2  THR   9          HG23      THR   9  49.477   9.267  -7.732
   64    H    THR  10           HN       THR  10  45.665  11.543  -5.339
   65    HA   THR  10           HA       THR  10  44.686  11.159  -2.719
   66    HB   THR  10           HB       THR  10  42.454  11.160  -3.701
   67    HG1  THR  10           HG1      THR  10  43.619   9.818  -5.594
   68   1HG2  THR  10          HG21      THR  10  44.146  12.893  -5.499
   69   2HG2  THR  10          HG22      THR  10  43.962  13.243  -3.779
   70   3HG2  THR  10          HG23      THR  10  42.549  13.237  -4.834
   71    H    LEU  11           HN       LEU  11  45.560   8.889  -5.148
   72    HA   LEU  11           HA       LEU  11  43.944   6.664  -4.459
   73   1HB   LEU  11          HB2       LEU  11  46.804   6.714  -5.397
   74   2HB   LEU  11          HB1       LEU  11  45.717   5.326  -5.492
   75    HG   LEU  11           HG       LEU  11  45.376   7.989  -6.903
   76   1HD1  LEU  11          HD11      LEU  11  45.269   6.040  -8.802
   77   2HD1  LEU  11          HD12      LEU  11  46.394   5.311  -7.656
   78   3HD1  LEU  11          HD13      LEU  11  46.749   6.889  -8.358
   79   1HD2  LEU  11          HD21      LEU  11  43.436   6.576  -7.977
   80   2HD2  LEU  11          HD22      LEU  11  43.171   7.372  -6.425
   81   3HD2  LEU  11          HD23      LEU  11  43.537   5.647  -6.480
   82    H    GLU  12           HN       GLU  12  47.066   7.694  -3.171
   83    HA   GLU  12           HA       GLU  12  47.430   5.445  -1.446
   84   1HB   GLU  12          HB2       GLU  12  49.247   6.976  -2.155
   85   2HB   GLU  12          HB1       GLU  12  48.553   8.235  -1.131
   86   1HG   GLU  12          HG2       GLU  12  48.805   6.746   0.838
   87   2HG   GLU  12          HG1       GLU  12  49.565   5.533  -0.190
   88    H    GLN  13           HN       GLN  13  45.699   8.469  -1.002
   89    HA   GLN  13           HA       GLN  13  45.635   8.536   1.805
   90   1HB   GLN  13          HB2       GLN  13  43.370   9.314  -0.052
   91   2HB   GLN  13          HB1       GLN  13  43.653   9.925   1.582
   92   1HG   GLN  13          HG2       GLN  13  45.372  10.337  -0.866
   93   2HG   GLN  13          HG1       GLN  13  44.556  11.571   0.090
   94   1HE2  GLN  13          HE21      GLN  13  47.540  10.432  -0.508
   95   2HE2  GLN  13          HE22      GLN  13  48.285  10.652   0.993
   96    H    GLN  14           HN       GLN  14  43.504   6.661  -0.395
   97    HA   GLN  14           HA       GLN  14  41.718   5.780   1.669
   98   1HB   GLN  14          HB2       GLN  14  42.597   4.384  -0.882
   99   2HB   GLN  14          HB1       GLN  14  41.242   3.870   0.125
  100   1HG   GLN  14          HG2       GLN  14  40.140   6.035  -0.220
  101   2HG   GLN  14          HG1       GLN  14  41.504   6.591  -1.189
  102   1HE2  GLN  14          HE21      GLN  14  38.883   6.463  -2.319
  103   2HE2  GLN  14          HE22      GLN  14  38.862   5.243  -3.497
  104    H    TYR  15           HN       TYR  15  44.800   4.577   0.480
  105    HA   TYR  15           HA       TYR  15  44.935   2.226   2.140
  106   1HB   TYR  15          HB2       TYR  15  47.092   3.882   0.800
  107   2HB   TYR  15          HB1       TYR  15  47.385   2.342   1.598
  108    HD1  TYR  15           HD1      TYR  15  47.240   0.368   0.361
  109    HD2  TYR  15           HD2      TYR  15  45.182   3.876  -1.022
  110    HE1  TYR  15           HE1      TYR  15  46.553  -0.848  -1.685
  111    HE2  TYR  15           HE2      TYR  15  44.503   2.665  -3.078
  112    HH   TYR  15           HH       TYR  15  44.280   0.539  -3.969
  113    H    ASN  16           HN       ASN  16  45.678   5.608   2.635
  114    HA   ASN  16           HA       ASN  16  47.557   5.531   4.677
  115   1HB   ASN  16          HB2       ASN  16  46.552   7.573   3.591
  116   2HB   ASN  16          HB1       ASN  16  45.185   7.399   4.691
  117   1HD2  ASN  16          HD21      ASN  16  45.409   8.618   6.564
  118   2HD2  ASN  16          HD22      ASN  16  46.886   9.036   7.289
  119    H    LYS  17           HN       LYS  17  44.018   5.051   5.160
  120    HA   LYS  17           HA       LYS  17  44.415   4.962   8.031
  121   1HB   LYS  17          HB2       LYS  17  42.044   3.538   7.507
  122   2HB   LYS  17          HB1       LYS  17  42.204   5.196   8.046
  123   1HG   LYS  17          HG2       LYS  17  41.890   6.089   5.939
  124   2HG   LYS  17          HG1       LYS  17  42.519   4.672   5.111
  125   1HD   LYS  17          HD2       LYS  17  40.363   3.527   6.213
  126   2HD   LYS  17          HD1       LYS  17  39.776   5.184   6.160
  127   1HE   LYS  17          HE2       LYS  17  39.171   4.627   4.033
  128   2HE   LYS  17          HE1       LYS  17  40.864   4.971   3.677
  129   1HZ   LYS  17          HZ1       LYS  17  39.732   2.674   3.069
  130   2HZ   LYS  17          HZ2       LYS  17  40.226   2.297   4.652
  131   3HZ   LYS  17          HZ3       LYS  17  41.370   2.789   3.496
  132    HA   PRO  18           HA       PRO  18  44.360   0.236   7.690
  133   1HB   PRO  18          HB2       PRO  18  43.658  -1.053   5.460
  134   2HB   PRO  18          HB1       PRO  18  42.429  -0.244   6.458
  135   1HG   PRO  18          HG2       PRO  18  43.742   0.699   3.946
  136   2HG   PRO  18          HG1       PRO  18  42.028   0.739   4.402
  137   1HD   PRO  18          HD2       PRO  18  43.726   2.898   4.663
  138   2HD   PRO  18          HD1       PRO  18  42.268   2.641   5.638
  139    H    LEU  19           HN       LEU  19  46.315   2.111   5.723
  140    HA   LEU  19           HA       LEU  19  47.626   0.430   3.974
  141   1HB   LEU  19          HB2       LEU  19  48.382   2.777   4.412
  142   2HB   LEU  19          HB1       LEU  19  49.110   2.226   5.917
  143    HG   LEU  19           HG       LEU  19  50.356   0.503   4.450
  144   1HD1  LEU  19          HD11      LEU  19  50.723   1.296   2.107
  145   2HD1  LEU  19          HD12      LEU  19  49.431   2.468   2.348
  146   3HD1  LEU  19          HD13      LEU  19  49.077   0.743   2.407
  147   1HD2  LEU  19          HD21      LEU  19  52.122   1.872   4.711
  148   2HD2  LEU  19          HD22      LEU  19  50.986   3.102   5.264
  149   3HD2  LEU  19          HD23      LEU  19  51.465   3.041   3.567
  150    H    SER  20           HN       SER  20  48.406   0.586   7.508
  151    HA   SER  20           HA       SER  20  50.270  -1.590   7.353
  152   1HB   SER  20          HB2       SER  20  48.463  -0.884   9.689
  153   2HB   SER  20          HB1       SER  20  49.963  -1.802   9.766
  154    HG   SER  20           HG       SER  20  49.852   0.661  10.169
  155    H    ASP  21           HN       ASP  21  46.803  -1.385   7.873
  156    HA   ASP  21           HA       ASP  21  46.278  -4.161   8.274
  157   1HB   ASP  21          HB2       ASP  21  44.554  -1.903   7.237
  158   2HB   ASP  21          HB1       ASP  21  43.932  -3.503   7.624
  159    H    LEU  22           HN       LEU  22  46.395  -2.192   5.301
  160    HA   LEU  22           HA       LEU  22  45.230  -4.114   3.590
  161   1HB   LEU  22          HB2       LEU  22  47.300  -2.022   2.903
  162   2HB   LEU  22          HB1       LEU  22  46.299  -2.889   1.739
  163    HG   LEU  22           HG       LEU  22  45.328  -1.031   3.924
  164   1HD1  LEU  22          HD11      LEU  22  45.558  -0.884   0.938
  165   2HD1  LEU  22          HD12      LEU  22  46.012   0.317   2.147
  166   3HD1  LEU  22          HD13      LEU  22  44.311   0.040   1.775
  167   1HD2  LEU  22          HD21      LEU  22  43.623  -2.604   3.862
  168   2HD2  LEU  22          HD22      LEU  22  43.941  -3.026   2.179
  169   3HD2  LEU  22          HD23      LEU  22  43.114  -1.518   2.570
  170    H    LEU  23           HN       LEU  23  48.733  -3.786   4.389
  171    HA   LEU  23           HA       LEU  23  49.514  -6.436   4.213
  172   1HB   LEU  23          HB2       LEU  23  48.372  -6.310   1.880
  173   2HB   LEU  23          HB1       LEU  23  49.728  -5.327   1.411
  174    HG   LEU  23           HG       LEU  23  50.091  -8.039   2.662
  175   1HD1  LEU  23          HD11      LEU  23  50.136  -8.953   0.398
  176   2HD1  LEU  23          HD12      LEU  23  49.828  -7.349  -0.277
  177   3HD1  LEU  23          HD13      LEU  23  48.586  -8.161   0.678
  178   1HD2  LEU  23          HD21      LEU  23  52.147  -6.805   2.558
  179   2HD2  LEU  23          HD22      LEU  23  51.770  -6.189   0.950
  180   3HD2  LEU  23          HD23      LEU  23  52.175  -7.887   1.168
  181    H    ILE  24           HN       ILE  24  51.063  -4.888   5.565
  182    HA   ILE  24           HA       ILE  24  53.194  -3.888   3.698
  183    HB   ILE  24           HB       ILE  24  52.625  -2.905   6.492
  184   1HG1  ILE  24          HG12      ILE  24  50.769  -2.260   5.089
  185   2HG1  ILE  24          HG11      ILE  24  51.809  -0.850   5.287
  186   1HG2  ILE  24          HG21      ILE  24  54.578  -2.245   4.313
  187   2HG2  ILE  24          HG22      ILE  24  54.846  -2.408   6.044
  188   3HG2  ILE  24          HG23      ILE  24  54.055  -0.967   5.410
  189   1HD1  ILE  24          HD11      ILE  24  52.940  -1.815   3.081
  190   2HD1  ILE  24          HD12      ILE  24  51.505  -0.796   2.997
  191   3HD1  ILE  24          HD13      ILE  24  51.349  -2.546   2.869
  192    H    ARG  25           HN       ARG  25  55.166  -4.861   3.875
  193    HA   ARG  25           HA       ARG  25  56.259  -5.704   6.425
  194   1HB   ARG  25          HB2       ARG  25  54.559  -7.564   5.675
  195   2HB   ARG  25          HB1       ARG  25  55.814  -7.973   4.496
  196   1HG   ARG  25          HG2       ARG  25  57.450  -8.176   6.367
  197   2HG   ARG  25          HG1       ARG  25  56.148  -7.890   7.512
  198   1HD   ARG  25          HD2       ARG  25  56.253 -10.163   5.505
  199   2HD   ARG  25          HD1       ARG  25  56.554 -10.307   7.236
  200    HE   ARG  25           HE       ARG  25  53.960 -10.223   6.005
  201   1HH1  ARG  25          HH21      ARG  25  55.813  -9.089   8.682
  202   2HH1  ARG  25          HH22      ARG  25  54.447  -8.945   9.737
  203   1HH2  ARG  25          HH11      ARG  25  52.165 -10.042   7.369
  204   2HH2  ARG  25          HH12      ARG  25  52.381  -9.484   8.993
  205    H    CYS  26           HN       CYS  26  58.511  -6.854   5.917
  206    HA   CYS  26           HA       CYS  26  59.917  -5.351   3.908
  207   1HB   CYS  26          HB2       CYS  26  60.523  -7.288   5.992
  208   2HB   CYS  26          HB1       CYS  26  61.363  -7.700   4.510
  209    H    ILE  27           HN       ILE  27  60.423  -6.025   1.801
  210    HA   ILE  27           HA       ILE  27  58.733  -7.912   0.493
  211    HB   ILE  27           HB       ILE  27  60.240  -5.982  -0.501
  212   1HG1  ILE  27          HG12      ILE  27  60.147  -8.626  -1.970
  213   2HG1  ILE  27          HG11      ILE  27  58.729  -7.596  -1.752
  214   1HG2  ILE  27          HG21      ILE  27  62.283  -7.424   0.404
  215   2HG2  ILE  27          HG22      ILE  27  62.412  -6.565  -1.134
  216   3HG2  ILE  27          HG23      ILE  27  62.058  -8.287  -1.109
  217   1HD1  ILE  27          HD11      ILE  27  60.847  -5.912  -2.620
  218   2HD1  ILE  27          HD12      ILE  27  59.392  -6.360  -3.516
  219   3HD1  ILE  27          HD13      ILE  27  60.853  -7.329  -3.671
  220    H    ASN  28           HN       ASN  28  61.749  -8.251   2.210
  221    HA   ASN  28           HA       ASN  28  61.835 -11.125   1.350
  222   1HB   ASN  28          HB2       ASN  28  64.010 -10.925   0.709
  223   2HB   ASN  28          HB1       ASN  28  63.676  -9.202   0.657
  224   1HD2  ASN  28          HD21      ASN  28  65.216  -8.020   1.790
  225   2HD2  ASN  28          HD22      ASN  28  66.048  -8.561   3.167
  226    H    CYS  29           HN       CYS  29  62.808  -8.839   3.933
  227    HA   CYS  29           HA       CYS  29  63.641 -10.918   5.744
  228   1HB   CYS  29          HB2       CYS  29  62.552  -8.177   6.443
  229   2HB   CYS  29          HB1       CYS  29  63.611  -9.181   7.439
  230    H    GLN  30           HN       GLN  30  60.617  -9.396   5.027
  231    HA   GLN  30           HA       GLN  30  58.428  -9.877   5.597
  232   1HB   GLN  30          HB2       GLN  30  59.489 -12.573   6.427
  233   2HB   GLN  30          HB1       GLN  30  57.843 -12.172   5.918
  234   1HG   GLN  30          HG2       GLN  30  60.350 -12.192   4.255
  235   2HG   GLN  30          HG1       GLN  30  58.860 -13.061   3.998
  236   1HE2  GLN  30          HE21      GLN  30  60.547 -10.501   2.838
  237   2HE2  GLN  30          HE22      GLN  30  59.274  -9.539   2.265
  238    H    LYS  31           HN       LYS  31  59.924  -8.542   7.549
  239    HA   LYS  31           HA       LYS  31  58.922  -9.773  10.081
  240   1HB   LYS  31          HB2       LYS  31  61.255  -8.057   9.388
  241   2HB   LYS  31          HB1       LYS  31  60.445  -7.679  10.908
  242   1HG   LYS  31          HG2       LYS  31  62.235  -9.319  11.284
  243   2HG   LYS  31          HG1       LYS  31  60.660 -10.049  11.600
  244   1HD   LYS  31          HD2       LYS  31  60.701 -11.313   9.629
  245   2HD   LYS  31          HD1       LYS  31  61.880 -10.250   8.858
  246   1HE   LYS  31          HE2       LYS  31  62.473 -12.025  11.244
  247   2HE   LYS  31          HE1       LYS  31  62.869 -12.431   9.574
  248   1HZ   LYS  31          HZ1       LYS  31  63.836 -10.031  11.032
  249   2HZ   LYS  31          HZ2       LYS  31  64.242 -10.463   9.440
  250   3HZ   LYS  31          HZ3       LYS  31  64.747 -11.432  10.741
  251    HA   PRO  32           HA       PRO  32  55.798  -6.682  10.435
  252   1HB   PRO  32          HB2       PRO  32  56.486  -5.460  12.885
  253   2HB   PRO  32          HB1       PRO  32  55.422  -6.864  12.691
  254   1HG   PRO  32          HG2       PRO  32  58.286  -6.753  13.437
  255   2HG   PRO  32          HG1       PRO  32  57.026  -7.882  13.962
  256   1HD   PRO  32          HD2       PRO  32  58.918  -8.606  12.177
  257   2HD   PRO  32          HD1       PRO  32  57.248  -9.212  12.052
  258    H    LEU  33           HN       LEU  33  55.674  -4.531   9.657
  259    HA   LEU  33           HA       LEU  33  58.305  -3.128   9.429
  260   1HB   LEU  33          HB2       LEU  33  56.726  -3.758   7.417
  261   2HB   LEU  33          HB1       LEU  33  55.779  -2.382   7.979
  262    HG   LEU  33           HG       LEU  33  57.874  -0.980   7.833
  263   1HD1  LEU  33          HD11      LEU  33  59.533  -2.212   6.128
  264   2HD1  LEU  33          HD12      LEU  33  58.863  -3.657   6.881
  265   3HD1  LEU  33          HD13      LEU  33  59.686  -2.452   7.873
  266   1HD2  LEU  33          HD21      LEU  33  56.884  -2.391   5.334
  267   2HD2  LEU  33          HD22      LEU  33  57.951  -0.991   5.296
  268   3HD2  LEU  33          HD23      LEU  33  56.327  -0.837   5.968
  269    H    SER  34           HN       SER  34  58.687  -1.484  10.680
  270    HA   SER  34           HA       SER  34  56.966  -0.689  12.720
  271   1HB   SER  34          HB2       SER  34  59.555   0.135  11.688
  272   2HB   SER  34          HB1       SER  34  58.606   1.534  12.186
  273    HG   SER  34           HG       SER  34  58.313   0.536  14.199
  274    HA   PRO  35           HA       PRO  35  54.149   1.527  10.187
  275   1HB   PRO  35          HB2       PRO  35  53.012   3.021  12.257
  276   2HB   PRO  35          HB1       PRO  35  52.469   1.447  11.652
  277   1HG   PRO  35          HG2       PRO  35  53.943   2.087  14.084
  278   2HG   PRO  35          HG1       PRO  35  52.941   0.688  13.693
  279   1HD   PRO  35          HD2       PRO  35  55.711   0.677  13.805
  280   2HD   PRO  35          HD1       PRO  35  54.712  -0.539  12.975
  281    H    GLU  36           HN       GLU  36  56.617   2.768  12.141
  282    HA   GLU  36           HA       GLU  36  56.289   5.596  11.555
  283   1HB   GLU  36          HB2       GLU  36  58.798   3.977  12.142
  284   2HB   GLU  36          HB1       GLU  36  58.725   5.739  12.102
  285   1HG   GLU  36          HG2       GLU  36  57.021   5.689  13.911
  286   2HG   GLU  36          HG1       GLU  36  57.172   3.933  13.980
  287    H    GLU  37           HN       GLU  37  57.836   2.859  10.045
  288    HA   GLU  37           HA       GLU  37  59.057   4.232   7.830
  289   1HB   GLU  37          HB2       GLU  37  58.085   1.385   8.249
  290   2HB   GLU  37          HB1       GLU  37  59.114   1.901   6.908
  291   1HG   GLU  37          HG2       GLU  37  60.828   2.670   8.492
  292   2HG   GLU  37          HG1       GLU  37  59.800   2.205   9.848
  293    H    LYS  38           HN       LYS  38  55.934   2.691   8.440
  294    HA   LYS  38           HA       LYS  38  54.815   2.939   5.822
  295   1HB   LYS  38          HB2       LYS  38  53.451   3.172   8.528
  296   2HB   LYS  38          HB1       LYS  38  52.624   2.925   6.992
  297   1HG   LYS  38          HG2       LYS  38  53.852   0.807   6.685
  298   2HG   LYS  38          HG1       LYS  38  54.627   1.028   8.249
  299   1HD   LYS  38          HD2       LYS  38  52.258   1.198   9.230
  300   2HD   LYS  38          HD1       LYS  38  51.683   0.634   7.664
  301   1HE   LYS  38          HE2       LYS  38  53.320  -0.815   9.705
  302   2HE   LYS  38          HE1       LYS  38  51.900  -1.377   8.816
  303   1HZ   LYS  38          HZ1       LYS  38  54.612  -0.918   7.702
  304   2HZ   LYS  38          HZ2       LYS  38  53.246  -1.371   6.801
  305   3HZ   LYS  38          HZ3       LYS  38  53.880  -2.424   7.972
  306    H    GLN  39           HN       GLN  39  55.095   5.147   8.585
  307    HA   GLN  39           HA       GLN  39  53.509   7.252   7.493
  308   1HB   GLN  39          HB2       GLN  39  55.949   7.470   9.299
  309   2HB   GLN  39          HB1       GLN  39  54.820   8.786   8.964
  310   1HG   GLN  39          HG2       GLN  39  54.156   6.144  10.285
  311   2HG   GLN  39          HG1       GLN  39  54.167   7.734  11.054
  312   1HE2  GLN  39          HE21      GLN  39  52.295   5.551   9.162
  313   2HE2  GLN  39          HE22      GLN  39  51.016   6.594   8.809
  314    H    ARG  40           HN       ARG  40  56.897   6.358   7.011
  315    HA   ARG  40           HA       ARG  40  57.549   8.643   5.425
  316   1HB   ARG  40          HB2       ARG  40  59.205   6.906   6.194
  317   2HB   ARG  40          HB1       ARG  40  58.519   5.795   5.008
  318   1HG   ARG  40          HG2       ARG  40  59.064   7.413   3.204
  319   2HG   ARG  40          HG1       ARG  40  59.804   8.474   4.403
  320   1HD   ARG  40          HD2       ARG  40  61.367   6.619   5.015
  321   2HD   ARG  40          HD1       ARG  40  60.682   5.657   3.704
  322    HE   ARG  40           HE       ARG  40  61.983   6.921   2.206
  323   1HH1  ARG  40          HH21      ARG  40  61.510   8.573   5.197
  324   2HH1  ARG  40          HH22      ARG  40  62.529   9.907   4.773
  325   1HH2  ARG  40          HH11      ARG  40  63.317   8.659   1.638
  326   2HH2  ARG  40          HH12      ARG  40  63.549   9.956   2.761
  327    H    HIS  41           HN       HIS  41  55.961   5.542   4.721
  328    HA   HIS  41           HA       HIS  41  55.717   6.019   1.868
  329   1HB   HIS  41          HB2       HIS  41  53.874   4.289   3.540
  330   2HB   HIS  41          HB1       HIS  41  54.302   4.096   1.847
  331    HD1  HIS  41           HD1      HIS  41  54.842   1.842   3.955
  332    HD2  HIS  41           HD2      HIS  41  57.656   4.675   2.767
  333    HE1  HIS  41           HE1      HIS  41  57.115   0.871   4.501
  334    H    LEU  42           HN       LEU  42  53.442   6.374   4.582
  335    HA   LEU  42           HA       LEU  42  51.305   7.534   3.060
  336   1HB   LEU  42          HB2       LEU  42  51.960   7.872   6.003
  337   2HB   LEU  42          HB1       LEU  42  50.390   8.153   5.246
  338    HG   LEU  42           HG       LEU  42  51.871   5.514   5.431
  339   1HD1  LEU  42          HD11      LEU  42  49.191   5.367   6.347
  340   2HD1  LEU  42          HD12      LEU  42  49.906   6.800   7.081
  341   3HD1  LEU  42          HD13      LEU  42  50.668   5.221   7.299
  342   1HD2  LEU  42          HD21      LEU  42  49.586   4.741   4.383
  343   2HD2  LEU  42          HD22      LEU  42  50.867   5.350   3.335
  344   3HD2  LEU  42          HD23      LEU  42  49.522   6.399   3.784
  345    H    ASP  43           HN       ASP  43  54.106   8.811   4.653
  346    HA   ASP  43           HA       ASP  43  53.554  11.575   4.548
  347   1HB   ASP  43          HB2       ASP  43  56.183  10.077   4.506
  348   2HB   ASP  43          HB1       ASP  43  56.061  11.832   4.631
  349    H    LYS  44           HN       LYS  44  54.724   9.199   2.361
  350    HA   LYS  44           HA       LYS  44  54.228   9.399  -0.010
  351   1HB   LYS  44          HB2       LYS  44  54.925  12.320   0.401
  352   2HB   LYS  44          HB1       LYS  44  54.563  11.562  -1.139
  353   1HG   LYS  44          HG2       LYS  44  52.351  10.862  -0.331
  354   2HG   LYS  44          HG1       LYS  44  52.632  11.635   1.214
  355   1HD   LYS  44          HD2       LYS  44  52.990  13.789   0.023
  356   2HD   LYS  44          HD1       LYS  44  52.569  12.956  -1.455
  357   1HE   LYS  44          HE2       LYS  44  50.445  13.632  -0.976
  358   2HE   LYS  44          HE1       LYS  44  50.464  12.259   0.130
  359   1HZ   LYS  44          HZ1       LYS  44  50.578  13.588   1.906
  360   2HZ   LYS  44          HZ2       LYS  44  50.013  14.802   0.860
  361   3HZ   LYS  44          HZ3       LYS  44  51.676  14.657   1.178
  362    H    LYS  45           HN       LYS  45  56.007   7.996   0.527
  363    HA   LYS  45           HA       LYS  45  58.744   8.839   0.520
  364   1HB   LYS  45          HB2       LYS  45  57.984   6.542   1.193
  365   2HB   LYS  45          HB1       LYS  45  57.683   6.201  -0.514
  366   1HG   LYS  45          HG2       LYS  45  60.069   6.757  -1.029
  367   2HG   LYS  45          HG1       LYS  45  60.348   6.992   0.705
  368   1HD   LYS  45          HD2       LYS  45  59.578   4.640   1.106
  369   2HD   LYS  45          HD1       LYS  45  59.483   4.417  -0.641
  370   1HE   LYS  45          HE2       LYS  45  61.817   4.637  -0.917
  371   2HE   LYS  45          HE1       LYS  45  62.021   5.396   0.662
  372   1HZ   LYS  45          HZ1       LYS  45  61.560   3.355   1.744
  373   2HZ   LYS  45          HZ2       LYS  45  62.715   3.021   0.543
  374   3HZ   LYS  45          HZ3       LYS  45  61.086   2.606   0.299
  375    H    GLN  46           HN       GLN  46  60.242   8.886  -1.159
  376    HA   GLN  46           HA       GLN  46  59.449   9.985  -3.607
  377   1HB   GLN  46          HB2       GLN  46  61.773   9.914  -2.633
  378   2HB   GLN  46          HB1       GLN  46  61.875   8.227  -3.137
  379   1HG   GLN  46          HG2       GLN  46  61.496   8.902  -5.471
  380   2HG   GLN  46          HG1       GLN  46  61.393  10.587  -4.968
  381   1HE2  GLN  46          HE21      GLN  46  63.367   9.680  -6.777
  382   2HE2  GLN  46          HE22      GLN  46  64.894   9.831  -6.052
  383    H    ARG  47           HN       ARG  47  59.934   6.534  -2.736
  384    HA   ARG  47           HA       ARG  47  58.183   5.811  -4.993
  385   1HB   ARG  47          HB2       ARG  47  61.022   4.772  -4.789
  386   2HB   ARG  47          HB1       ARG  47  59.796   4.103  -5.856
  387   1HG   ARG  47          HG2       ARG  47  60.715   6.983  -5.945
  388   2HG   ARG  47          HG1       ARG  47  61.359   5.720  -6.980
  389   1HD   ARG  47          HD2       ARG  47  59.024   5.296  -7.807
  390   2HD   ARG  47          HD1       ARG  47  58.491   6.700  -6.885
  391    HE   ARG  47           HE       ARG  47  59.421   8.070  -8.553
  392   1HH1  ARG  47          HH21      ARG  47  60.731   4.883  -8.620
  393   2HH1  ARG  47          HH22      ARG  47  61.653   5.147 -10.061
  394   1HH2  ARG  47          HH11      ARG  47  60.617   8.436 -10.440
  395   2HH2  ARG  47          HH12      ARG  47  61.588   7.158 -11.092
  396    H    PHE  48           HN       PHE  48  56.696   4.803  -3.600
  397    HA   PHE  48           HA       PHE  48  57.770   2.474  -2.038
  398   1HB   PHE  48          HB2       PHE  48  56.439   4.433  -0.859
  399   2HB   PHE  48          HB1       PHE  48  55.036   3.701  -1.626
  400    HD1  PHE  48           HD1      PHE  48  53.801   2.407  -0.128
  401    HD2  PHE  48           HD2      PHE  48  58.094   2.354   0.103
  402    HE1  PHE  48           HE1      PHE  48  53.688   0.741   1.707
  403    HE2  PHE  48           HE2      PHE  48  57.974   0.689   1.929
  404    HZ   PHE  48           HZ       PHE  48  55.782  -0.118   2.735
  405    H    HIS  49           HN       HIS  49  57.100   0.452  -2.990
  406    HA   HIS  49           HA       HIS  49  54.942   0.756  -5.052
  407   1HB   HIS  49          HB2       HIS  49  57.395  -0.992  -5.231
  408   2HB   HIS  49          HB1       HIS  49  56.112  -0.888  -6.431
  409    HD1  HIS  49           HD1      HIS  49  55.742   1.603  -7.474
  410    HD2  HIS  49           HD2      HIS  49  59.377   0.919  -5.553
  411    HE1  HIS  49           HE1      HIS  49  57.312   3.431  -8.247
  412    H    ASN  50           HN       ASN  50  53.586  -0.924  -5.483
  413    HA   ASN  50           HA       ASN  50  53.313  -2.957  -3.320
  414   1HB   ASN  50          HB2       ASN  50  51.445  -1.366  -3.562
  415   2HB   ASN  50          HB1       ASN  50  51.264  -1.864  -5.229
  416   1HD2  ASN  50          HD21      ASN  50  51.372  -3.356  -1.964
  417   2HD2  ASN  50          HD22      ASN  50  50.189  -4.521  -2.294
  418    H    ILE  51           HN       ILE  51  53.323  -5.072  -3.823
  419    HA   ILE  51           HA       ILE  51  53.348  -5.855  -6.711
  420    HB   ILE  51           HB       ILE  51  54.523  -7.339  -4.343
  421   1HG1  ILE  51          HG12      ILE  51  55.895  -5.808  -6.554
  422   2HG1  ILE  51          HG11      ILE  51  55.738  -5.250  -4.892
  423   1HG2  ILE  51          HG21      ILE  51  54.355  -9.076  -5.791
  424   2HG2  ILE  51          HG22      ILE  51  55.676  -8.295  -6.660
  425   3HG2  ILE  51          HG23      ILE  51  54.007  -8.014  -7.154
  426   1HD1  ILE  51          HD11      ILE  51  57.927  -6.477  -5.612
  427   2HD1  ILE  51          HD12      ILE  51  56.947  -7.936  -5.471
  428   3HD1  ILE  51          HD13      ILE  51  57.182  -6.894  -4.068
  429    H    ARG  52           HN       ARG  52  51.782  -7.400  -7.307
  430    HA   ARG  52           HA       ARG  52  49.446  -7.605  -5.788
  431   1HB   ARG  52          HB2       ARG  52  49.666  -8.234  -8.202
  432   2HB   ARG  52          HB1       ARG  52  50.491  -9.709  -7.708
  433   1HG   ARG  52          HG2       ARG  52  48.222 -10.345  -8.042
  434   2HG   ARG  52          HG1       ARG  52  48.414 -10.221  -6.294
  435   1HD   ARG  52          HD2       ARG  52  47.449  -7.930  -6.369
  436   2HD   ARG  52          HD1       ARG  52  47.230  -8.094  -8.108
  437    HE   ARG  52           HE       ARG  52  45.379  -9.513  -7.690
  438   1HH1  ARG  52          HH21      ARG  52  47.288  -8.934  -4.880
  439   2HH1  ARG  52          HH22      ARG  52  46.143  -9.645  -3.793
  440   1HH2  ARG  52          HH11      ARG  52  43.871 -10.442  -6.289
  441   2HH2  ARG  52          HH12      ARG  52  44.207 -10.499  -4.591
  442    H    GLY  53           HN       GLY  53  49.501  -8.250  -3.704
  443   1HA   GLY  53          HA2       GLY  53  49.278 -10.036  -2.115
  444   2HA   GLY  53          HA1       GLY  53  50.299 -11.045  -3.137
  445    H    ARG  54           HN       ARG  54  52.116  -8.471  -3.288
  446    HA   ARG  54           HA       ARG  54  53.280  -8.702  -0.556
  447   1HB   ARG  54          HB2       ARG  54  54.798  -9.083  -3.150
  448   2HB   ARG  54          HB1       ARG  54  55.555  -8.906  -1.569
  449   1HG   ARG  54          HG2       ARG  54  54.291 -10.886  -0.769
  450   2HG   ARG  54          HG1       ARG  54  53.599 -11.076  -2.380
  451   1HD   ARG  54          HD2       ARG  54  55.484 -12.572  -2.231
  452   2HD   ARG  54          HD1       ARG  54  55.956 -11.233  -3.277
  453    HE   ARG  54           HE       ARG  54  56.860 -10.349  -0.877
  454   1HH1  ARG  54          HH21      ARG  54  56.995 -13.417  -2.448
  455   2HH1  ARG  54          HH22      ARG  54  58.499 -13.873  -1.719
  456   1HH2  ARG  54          HH11      ARG  54  58.822 -10.927   0.085
  457   2HH2  ARG  54          HH12      ARG  54  59.533 -12.464  -0.284
  458    H    TRP  55           HN       TRP  55  54.503  -6.866   0.113
  459    HA   TRP  55           HA       TRP  55  54.183  -4.480  -1.658
  460   1HB   TRP  55          HB2       TRP  55  53.481  -4.857   1.112
  461   2HB   TRP  55          HB1       TRP  55  54.722  -3.609   0.990
  462    HD1  TRP  55           HD1      TRP  55  51.098  -4.265   0.239
  463    HE1  TRP  55           HE1      TRP  55  50.038  -2.182  -0.823
  464    HE3  TRP  55           HE3      TRP  55  55.291  -1.499  -0.594
  465    HZ2  TRP  55           HZ2      TRP  55  50.866   0.311  -1.909
  466    HZ3  TRP  55           HZ3      TRP  55  55.124   0.741  -1.639
  467    HH2  TRP  55           HH2      TRP  55  52.919   1.652  -2.296
  468    H    THR  56           HN       THR  56  55.975  -2.978  -1.765
  469    HA   THR  56           HA       THR  56  58.506  -4.056  -0.603
  470    HB   THR  56           HB       THR  56  58.143  -4.661  -3.079
  471    HG1  THR  56           HG1      THR  56  60.397  -3.055  -2.491
  472   1HG2  THR  56          HG21      THR  56  59.160  -2.008  -3.835
  473   2HG2  THR  56          HG22      THR  56  57.484  -2.012  -3.289
  474   3HG2  THR  56          HG23      THR  56  57.971  -3.032  -4.642
  475    H    GLY  57           HN       GLY  57  60.194  -2.502  -0.444
  476   1HA   GLY  57          HA2       GLY  57  60.403   0.124  -1.066
  477   2HA   GLY  57          HA1       GLY  57  59.201   0.175   0.221
  478    H    ARG  58           HN       ARG  58  59.834  -0.929   2.285
  479    HA   ARG  58           HA       ARG  58  62.302   0.008   3.239
  480   1HB   ARG  58          HB2       ARG  58  60.577  -0.583   4.798
  481   2HB   ARG  58          HB1       ARG  58  60.666  -2.278   4.284
  482   1HG   ARG  58          HG2       ARG  58  62.932  -2.483   5.006
  483   2HG   ARG  58          HG1       ARG  58  63.049  -0.751   5.336
  484   1HD   ARG  58          HD2       ARG  58  61.171  -1.151   7.019
  485   2HD   ARG  58          HD1       ARG  58  61.507  -2.871   6.819
  486    HE   ARG  58           HE       ARG  58  63.402  -2.527   8.174
  487   1HH1  ARG  58          HH21      ARG  58  62.383   0.323   6.521
  488   2HH1  ARG  58          HH22      ARG  58  63.577   1.346   7.256
  489   1HH2  ARG  58          HH11      ARG  58  64.982  -1.206   9.155
  490   2HH2  ARG  58          HH12      ARG  58  65.050   0.477   8.749
  491    H    CYS  59           HN       CYS  59  61.531  -3.250   2.117
  492    HA   CYS  59           HA       CYS  59  63.990  -4.309   2.981
  493   1HB   CYS  59          HB2       CYS  59  61.809  -5.400   1.967
  494   2HB   CYS  59          HB1       CYS  59  62.813  -5.395   0.526
  495    H    MET  60           HN       MET  60  63.185  -2.438   0.157
  496    HA   MET  60           HA       MET  60  65.451  -3.083  -1.445
  497   1HB   MET  60          HB2       MET  60  63.547  -1.555  -2.130
  498   2HB   MET  60          HB1       MET  60  64.258  -0.311  -1.102
  499   1HG   MET  60          HG2       MET  60  66.394  -0.545  -2.403
  500   2HG   MET  60          HG1       MET  60  65.551  -1.642  -3.498
  501   1HE   MET  60          HE1       MET  60  63.140   0.094  -5.410
  502   2HE   MET  60          HE2       MET  60  62.437   0.100  -3.795
  503   3HE   MET  60          HE3       MET  60  63.414  -1.270  -4.317
  504    H    SER  61           HN       SER  61  65.022  -0.940   1.330
  505    HA   SER  61           HA       SER  61  67.681   0.155   1.318
  506   1HB   SER  61          HB2       SER  61  67.199   0.859   3.588
  507   2HB   SER  61          HB1       SER  61  65.737   1.077   2.630
  508    HG   SER  61           HG       SER  61  66.291  -1.274   4.115
  509    H    CYS  62           HN       CYS  62  66.282  -2.859   2.500
  510    HA   CYS  62           HA       CYS  62  68.409  -3.624   4.244
  511   1HB   CYS  62          HB2       CYS  62  66.613  -5.420   2.558
  512   2HB   CYS  62          HB1       CYS  62  67.636  -5.947   3.892
  513    H    SER  63           HN       SER  63  68.080  -3.724   0.747
  514    HA   SER  63           HA       SER  63  70.859  -4.842   0.630
  515   1HB   SER  63          HB2       SER  63  68.640  -5.163  -1.413
  516   2HB   SER  63          HB1       SER  63  70.270  -5.815  -1.552
  517    HG   SER  63           HG       SER  63  68.784  -6.377   0.752
  518    H    ARG  64           HN       ARG  64  72.296  -3.816  -0.804
  519    HA   ARG  64           HA       ARG  64  71.958  -1.040  -1.264
  520   1HB   ARG  64          HB2       ARG  64  74.155  -2.221  -1.256
  521   2HB   ARG  64          HB1       ARG  64  73.745  -2.937  -2.816
  522   1HG   ARG  64          HG2       ARG  64  73.501  -0.661  -3.776
  523   2HG   ARG  64          HG1       ARG  64  73.977   0.029  -2.223
  524   1HD   ARG  64          HD2       ARG  64  76.133  -1.223  -2.376
  525   2HD   ARG  64          HD1       ARG  64  75.661  -1.776  -3.984
  526    HE   ARG  64           HE       ARG  64  75.675   1.149  -3.567
  527   1HH1  ARG  64          HH21      ARG  64  77.200  -1.724  -4.706
  528   2HH1  ARG  64          HH22      ARG  64  78.273  -0.890  -5.778
  529   1HH2  ARG  64          HH11      ARG  64  77.063   2.258  -4.966
  530   2HH2  ARG  64          HH12      ARG  64  78.195   1.365  -5.927
  531    H    SER  65           HN       SER  65  71.301  -3.817  -3.376
  532    HA   SER  65           HA       SER  65  69.794  -1.959  -5.161
  533   1HB   SER  65          HB2       SER  65  70.671  -3.075  -7.132
  534   2HB   SER  65          HB1       SER  65  72.026  -2.519  -6.156
  535    HG   SER  65           HG       SER  65  71.034  -5.113  -6.564
  536    H    SER  66           HN       SER  66  68.124  -3.078  -6.437
  537    HA   SER  66           HA       SER  66  67.237  -5.624  -5.135
  538   1HB   SER  66          HB2       SER  66  65.787  -3.650  -4.625
  539   2HB   SER  66          HB1       SER  66  65.496  -3.457  -6.351
  540    HG   SER  66           HG       SER  66  63.887  -4.761  -5.843
  541    H    ARG  67           HN       ARG  67  66.539  -7.277  -6.520
  542    HA   ARG  67           HA       ARG  67  66.939  -6.739  -9.437
  543   1HB   ARG  67          HB2       ARG  67  67.585  -9.068  -9.677
  544   2HB   ARG  67          HB1       ARG  67  68.545  -8.356  -8.379
  545   1HG   ARG  67          HG2       ARG  67  66.814  -9.243  -6.752
  546   2HG   ARG  67          HG1       ARG  67  66.110 -10.136  -8.101
  547   1HD   ARG  67          HD2       ARG  67  68.339 -11.208  -8.491
  548   2HD   ARG  67          HD1       ARG  67  68.940 -10.398  -7.045
  549    HE   ARG  67           HE       ARG  67  66.561 -11.863  -6.400
  550   1HH1  ARG  67          HH21      ARG  67  69.881 -12.212  -7.259
  551   2HH1  ARG  67          HH22      ARG  67  70.082 -13.708  -6.409
  552   1HH2  ARG  67          HH11      ARG  67  66.804 -13.816  -5.286
  553   2HH2  ARG  67          HH12      ARG  67  68.340 -14.616  -5.292