*HEADER    HORMONE                                 09-AUG-12   2LWZ              
*TITLE     NMR STRUCTURES OF SINGLE-CHAIN INSULIN                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SINGLE-CHAIN INSULIN;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: INSULIN;                                                    
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: INS;                                                           
*SOURCE   6 EXPRESSION_SYSTEM: KOMAGATAELLA PASTORIS;                            
*SOURCE   7 EXPRESSION_SYSTEM_COMMON: PICHIA PASTORIS;                           
*SOURCE   8 EXPRESSION_SYSTEM_TAXID: 4922;                                       
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PPICZ                                     
*KEYWDS    HORMONE                                                               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.A.WEISS, Y.YANG                                                     
*REVDAT   1   28-AUG-13 2LWZ    0                                                


! pck2xplr.nawk Table; Input File: NN_noe.dat
!   Date: Tue Mar 20 15:10:31 EDT 2012
!   Path: /linuxyang/data/disk02/yang02/70_01_SCI_PH7_071911/5
!
!@ BEGIN_XPLR_PCK_SUM
! LBL   File-Name                   All   Intra  Seq.  Short   Long
! A   CC_noe.dat                    456   122     38    101    195
! B   CN_noe.dat                    389   145    147     66     31
! C   NN_noe.dat                     32     0     25      6      1
!    Total                          877   267    210    173    227

!@ END_XPLR_PCK_SUM
!@ BEGIN_XPLR_NOE_FILE
!
! F1
assign (resid   1 and name   HA ) (resid   1 and name  HB1 )  3.0  1.2  0.5 ! A.2    at -4.70e+06
assign (resid   1 and name   HA ) (resid   1 and name  HB2 )  2.5  0.7  0.3 ! A.3    at -4.70e+06
assign (resid   1 and name  HB1 ) (resid   1 and name  HD1 )  2.5  0.7  0.3 ! A.725  at 5.13e+06
assign (resid   1 and name  HB2 ) (resid   1 and name  HD1 )  2.5  0.7  0.3 ! A.7    at 5.01e+06
assign (resid   1 and name  HB2 ) (resid   1 and name  HD2 )  3.0  1.2  0.5 ! A.724  at 3.59e+06
assign (resid   1 and name  HB1 ) (resid   1 and name  HD2 )  3.0  1.2  0.5 ! A.8    at 5.01e+06
assign (resid   1 and name   HA ) (resid   1 and name  HD1 )  3.0  1.2  1.5 ! A.6    at -2.30e+06
assign (resid   1 and name   HA ) (resid   1 and name  HD2 )  2.5  0.7  0.3 ! A.5    at -2.30e+06
assign (resid   1 and name   HA ) (resid   2 and name   HN )  3.0  1.2  0.5 ! B.47   at 1.21e+06
assign (resid   1 and name  HB1 ) (resid   2 and name   HN )  3.0  1.2  1.0 ! B.52   at -3.22e+05
assign (resid   1 and name  HD2 ) (resid   6 and name HD1# )  4.0  2.2  0.2 ! A.774  at 4.41e+05
assign (resid   1 and name  HD2 ) (resid   6 and name HD2# )  4.0  2.2  0.2 ! A.723  at 5.15e+05
assign (resid   1 and name   HZ ) (resid   6 and name  HB2 )  4.0  2.2  2.3 ! A.730  at 3.63e+05
assign (resid   1 and name  HB2 ) (resid   6 and name HD1# )  4.0  2.2  1.7 ! A.764  at -7.95e+05
assign (resid   1 and name  HD2 ) (resid  14 and name  HB# )  4.0  2.2  0.7 ! A.719  at -6.23e+05
assign (resid   1 and name  HD1 ) (resid  14 and name  HB# )  4.0  2.2  0.7 ! A.721  at -6.23e+05
assign (resid   1 and name  HB2 ) (resid  14 and name  HB# )  4.0  2.2  1.5 ! A.763  at -7.29e+05
assign (resid   1 and name  HD2 ) (resid  14 and name   HA )  4.0  2.2  1.5 ! A.636  at -7.11e+05
assign (resid   1 and name  HD1 ) (resid  14 and name   HA )  3.0  1.2  1.0 ! A.637  at -7.11e+05
assign (resid   1 and name  HD1 ) (resid  17 and name HD2# )  3.0  1.2  0.5 ! A.727  at 6.46e+05
assign (resid   1 and name  HB1 ) (resid  17 and name HD2# )  4.0  2.2  1.0 ! A.825  at 5.49e+05
assign (resid   1 and name  HB2 ) (resid  17 and name HD2# )  4.0  2.2  1.0 ! A.768  at 5.49e+05
!!!!!assign (resid   1 and name   HZ ) (resid  17 and name HD1# )  3.0  1.2  1.0 ! A.850  at 3.53e+05
assign (resid   1 and name  HD1 ) (resid  18 and name HG2# )  4.0  2.2  1.3 ! A.824  at -3.76e+05

assign (resid   1 and name  HD1 ) (resid  49 and name HD2# )  4.0  2.2  0.8 ! A.729  at 5.42e+05
assign (resid   1 and name  HD1 ) (resid  49 and name HD1# )  4.0  2.2  1.0 ! A.726  at 5.42e+05
assign (resid   1 and name  HD2 ) (resid  49 and name HD1# )  4.0  2.2  1.5 ! A.721  at 6.46e+05
assign (resid   1 and name  HD2 ) (resid  49 and name HD2# )  3.0  1.2  1.0 ! A.728  at 5.41e+05
assign (resid   1 and name   HZ ) (resid  49 and name HD2# )  3.0  1.2  1.0 ! A.853  at 2.40e+05

assign (resid   1 and name  HB2 ) (resid  49 and name HD2# )  4.0  2.2  1.5 ! A.767  at 5.76e+05
assign (resid   1 and name  HB1 ) (resid  49 and name HD2# )  4.0  2.2  0.7 ! A.766  at 7.26e+05
assign (resid   1 and name  HB1 ) (resid  49 and name HD1# )  4.0  2.2  0.9 ! A.765  at 5.49e+05

assign (resid   1 and name  HD2 ) (resid  52 and name HD1# )  4.0  2.2  1.0 ! A.722  at 5.36e+05
assign (resid   1 and name   HZ ) (resid  52 and name HD1# )  3.0  1.2  1.0 ! A.403  at 2.63e+05
assign (resid   1 and name   HZ ) (resid  52 and name  HB1 )  3.0  1.2  1.0 ! A.852  at 5.53e+05

! V2
assign (resid   2 and name   HA ) (resid   2 and name   HB )  2.5  0.7  0.3 ! A.13   at -3.14e+06
assign (resid   2 and name   HA ) (resid   2 and name HG1# )  2.5  0.7  0.7 ! A.17   at 4.89e+06
assign (resid   2 and name   HA ) (resid   2 and name HG2# )  3.0  1.2  0.7 ! A.18   at 5.50e+06
assign (resid   2 and name HG2# ) (resid   2 and name   HN )  3.0  1.2  1.0 ! B.50   at 1.15e+06
assign (resid   2 and name HG1# ) (resid   2 and name   HN )  4.0  2.2  1.0 ! B.51   at 1.15e+06
assign (resid   2 and name   HB ) (resid   2 and name   HN )  3.0  1.2  0.5 ! B.49   at -1.11e+06
assign (resid   2 and name   HA ) (resid   3 and name   HN )  3.0  1.2  0.4 ! B.29   at 6.70e+06
assign (resid   2 and name HG1# ) (resid   3 and name   HN )  3.0  1.2  1.2 ! B.35   at 1.71e+06
assign (resid   2 and name HG2# ) (resid   3 and name   HN )  3.0  1.2  1.5 ! B.33   at 1.71e+06
assign (resid   2 and name   HB ) (resid   3 and name   HN )  3.0  1.2  0.5 ! B.32   at -1.09e+06
assign (resid   2 and name HG1# ) (resid   3 and name HD22 )  4.0  2.2  2.5 ! B.427  at 6.46e+05
assign (resid   2 and name   HN ) (resid   3 and name   HN )  3.0  1.2  1.5 ! C.3    at -3.80e+05
assign (resid   2 and name HG2# ) (resid   4 and name  HG# )  3.0  1.2  1.0 ! A.826  at -7.64e+05
assign (resid   2 and name HG2# ) (resid   4 and name   HN )  3.0  1.2  1.0 ! B.23   at 6.08e+05
assign (resid   2 and name   HA ) (resid   4 and name   HN )  4.0  2.2  1.0 ! B.24   at 4.08e+05
assign (resid   2 and name HG2# ) (resid   4 and name HE22 )  4.0  2.2  2.0 ! B.430  at 4.13e+05
assign (resid   2 and name HG1# ) (resid   4 and name HE22 )  4.0  2.2  2.5 ! B.431  at 5.27e+05
assign (resid   2 and name HG2# ) (resid   4 and name HE21 )  4.0  2.2  0.5 ! B.435  at 3.93e+05
!!!assign (resid   2 and name HG2# ) (resid  49 and name  HB# )  4.0  2.2  3.0 ! A.382  at -5.25e+05

! N3
assign (resid   3 and name   HA ) (resid   3 and name  HB1 )  2.5  0.7  0.3 ! A.20  at -2.69e+06
assign (resid   3 and name   HA ) (resid   3 and name  HB2 )  2.5  0.7  0.6 ! A.21  at -2.65e+06
assign (resid   3 and name   HA ) (resid   3 and name   HN )  2.5  0.7  0.7 ! B.28   at 3.17e+06
assign (resid   3 and name  HB1 ) (resid   3 and name   HN )  3.0  1.2  0.8 ! B.31   at -1.91e+06
assign (resid   3 and name  HB2 ) (resid   3 and name   HN )  3.0  1.2  0.5 ! B.30   at -1.28e+06
assign (resid   3 and name   HA ) (resid   3 and name HD21 )  4.0  2.2  2.0 ! B.421  at 5.04e+05
assign (resid   3 and name  HB1 ) (resid   3 and name HD21 )  3.0  1.2  0.3 ! B.424  at -3.87e+06
assign (resid   3 and name  HB2 ) (resid   3 and name HD21 )  3.0  1.2  0.3 ! B.423  at -2.63e+06
assign (resid   3 and name  HB1 ) (resid   3 and name HD22 )  3.0  1.2  0.8 ! B.426  at -1.57e+06
assign (resid   3 and name  HB2 ) (resid   3 and name HD22 )  4.0  2.2  1.0 ! B.425  at -9.25e+05
assign (resid   3 and name   HA ) (resid   4 and name   HN )  2.5  0.7  0.4 ! B.18   at 4.26e+06
assign (resid   3 and name  HB1 ) (resid   4 and name   HN )  4.0  2.2  1.0 ! B.27   at -7.49e+05
assign (resid   3 and name  HB2 ) (resid   4 and name   HN )  4.0  2.2  0.5 ! B.26   at -5.44e+05
assign (resid   3 and name   HN ) (resid   4 and name   HN )  2.5  0.7  0.4 ! C.2    at -1.31e+06
assign (resid   3 and name   HA ) (resid  46 and name HG2# )  2.5  0.7  0.5 ! A.372  at 2.98e+06
assign (resid   3 and name  HB2 ) (resid  46 and name HG2# )  4.0  2.2  1.0 ! A.370  at -9.11e+05
assign (resid   3 and name  HB1 ) (resid  46 and name HG2# )  3.0  1.2  1.0 ! A.369  at -1.13e+06
assign (resid   3 and name   HA ) (resid  46 and name HD1# )  4.0  2.2  1.3 ! A.377  at 5.46e+05
assign (resid   3 and name   HN ) (resid  46 and name HG2# )  4.0  2.2  1.5 ! B.36   at 2.83e+05
assign (resid   3 and name HD21 ) (resid  46 and name HG2# )  4.0  2.2  1.2 ! B.422  at 3.35e+05

! Q4
assign (resid   4 and name   HA ) (resid   4 and name  HB2 )  3.0  1.2  0.5 ! A.22  at -1.81e+06
assign (resid   4 and name   HA ) (resid   4 and name  HB1 )  2.5  0.7  0.3 ! A.26  at -2.32e+06
assign (resid   4 and name   HA ) (resid   4 and name  HG# )  3.0  1.2  0.8 ! A.26   at -2.32e+06
assign (resid   4 and name   HA ) (resid   4 and name   HN )  3.0  1.2  0.2 ! B.17   at 1.78e+06
assign (resid   4 and name  HB2 ) (resid   4 and name   HN )  3.0  1.2  1.0 ! B.19   at -1.51e+06
assign (resid   4 and name  HB1 ) (resid   4 and name   HN )  3.0  1.2  1.0 ! B.20   at -6.38e+05
assign (resid   4 and name  HG# ) (resid   4 and name   HN )  3.0  1.2  0.2 ! B.21   at -2.49e+06
assign (resid   4 and name  HB1 ) (resid   4 and name HE22 )  4.0  2.2  1.0 ! B.548  at -2.60e+05
assign (resid   4 and name  HB2 ) (resid   4 and name HE22 )  4.0  2.2  0.5 ! B.428  at -2.39e+05
assign (resid   4 and name  HG# ) (resid   4 and name HE22 )  3.0  1.2  0.8 ! B.429  at -1.60e+06
assign (resid   4 and name  HG# ) (resid   4 and name HE21 )  3.0  1.2  0.3 ! B.433  at -3.23e+06
assign (resid   4 and name  HB1 ) (resid   4 and name HE21 )  4.0  2.2  0.5 ! B.434  at -4.83e+05
assign (resid   4 and name  HB2 ) (resid   4 and name HE21 )  4.0  2.2  1.0 ! B.547  at -4.83e+05
assign (resid   4 and name   HA ) (resid   5 and name   HN )  2.5  0.7  0.4 ! B.10   at 4.30e+06
assign (resid   4 and name  HB2 ) (resid   5 and name   HN )  3.0  1.2  0.5 ! B.14   at -1.37e+06
assign (resid   4 and name  HG# ) (resid   5 and name   HN )  4.0  2.2  1.5 ! B.16   at -8.88e+05
assign (resid   4 and name  HB1 ) (resid   5 and name   HN )  3.0  1.2  0.5 ! B.15   at -1.32e+06
assign (resid   4 and name   HN ) (resid   5 and name   HN )  3.0  1.2  1.5 ! C.5    at -8.16e+05
!!assign (resid   4 and name  HG# ) (resid   6 and name HD2# )  4.0  2.2  3.0 ! A.779  at 4.30e+05
assign (resid   4 and name  HB2 ) (resid   6 and name HD1# )  4.0  2.2  1.5 ! A.775  at 4.46e+05
assign (resid   4 and name  HB1 ) (resid   6 and name HD1# )  4.0  2.2  2.5 ! A.776  at 3.38e+05
assign (resid   4 and name  HG# ) (resid   6 and name HD1# )  3.0  1.2  1.5 ! A.46   at 1.31e+06
assign (resid   4 and name HE22 ) (resid   6 and name HD1# )  4.0  2.2  2.5 ! B.432  at 5.25e+05
assign (resid   4 and name HE21 ) (resid   6 and name HD1# )  4.0  2.2  2.5 ! B.436  at -4.44e+05
assign (resid   4 and name   HA ) (resid  46 and name HG2# )  4.0  2.2  0.5 ! A.718  at 5.34e+05
assign (resid   4 and name  HB2 ) (resid  46 and name HG2# )  4.0  2.2  2.0 ! A.367  at -3.44e+05
assign (resid   4 and name  HB1 ) (resid  46 and name HG2# )  4.0  2.2  2.0 ! A.366  at -7.01e+05
assign (resid   4 and name  HG# ) (resid  46 and name HG2# )  4.0  2.2  2.0 ! A.368  at -4.54e+05
assign (resid   4 and name   HA ) (resid  46 and name HD1# )  3.0  1.2  1.0 ! A.378  at 6.47e+05
assign (resid   4 and name   HN ) (resid  46 and name HG2# )  3.0  1.2  1.2 ! B.22   at 1.03e+06

! H5
assign (resid   5 and name   HA ) (resid   5 and name  HB1 )  2.5  0.7  0.5 ! A.27  at -1.08e+06
assign (resid   5 and name   HA ) (resid   5 and name  HB2 )  3.0  1.2  0.3 ! A.22  at -9.81e+05
assign (resid   5 and name   HA ) (resid   5 and name   HN )  3.0  1.2  0.2 ! B.11   at 3.03e+06
assign (resid   5 and name  HB1 ) (resid   5 and name   HN )  3.0  1.2  0.5 ! B.13   at -1.70e+06
assign (resid   5 and name  HB2 ) (resid   5 and name   HN )  3.0  1.2  0.5 ! B.12   at -1.03e+06
assign (resid   5 and name   HA ) (resid   6 and name HD1# )  4.0  2.2  2.5 ! A.773  at -4.68e+05
assign (resid   5 and name   HA ) (resid   6 and name   HN )  3.0  1.2  0.5 ! B.2    at 2.03e+06
assign (resid   5 and name  HB1 ) (resid   6 and name   HN )  4.0  2.2  1.0 ! B.502  at -2.77e+05
assign (resid   5 and name  HB2 ) (resid   6 and name   HN )  3.0  1.2  1.0 ! B.4    at -3.36e+05
assign (resid   5 and name   HA ) (resid  46 and name HG2# )  4.0  2.2  1.0 ! A.719  at 3.56e+05
assign (resid   5 and name   HN ) (resid  46 and name HG2# )  4.0  2.2  1.5 ! B.471  at 1.98e+05
!!!!!assign (resid   5 and name   HN ) (resid  46 and name HD1# )  3.0  1.2  1.0 ! B.470  at 2.76e+05

! L6
assign (resid   6 and name   HA ) (resid   6 and name  HB1 )  2.5  0.7  0.5 ! A.28   at -1.09e+06
assign (resid   6 and name   HA ) (resid   6 and name  HB2 )  3.0  1.2  0.5 ! A.33   at -8.79e+05
assign (resid   6 and name HD2# ) (resid   6 and name  HB1 )  3.0  1.2  0.8 ! A.30   at 2.21e+06
assign (resid   6 and name HD1# ) (resid   6 and name  HB1 )  3.0  1.2  0.8 ! A.31   at 1.59e+06
assign (resid   6 and name HD2# ) (resid   6 and name  HB2 )  4.0  2.2  1.5 ! A.36   at 7.67e+05
assign (resid   6 and name HD1# ) (resid   6 and name  HB2 )  3.0  1.2  0.8 ! A.37   at -1.33e+06
assign (resid   6 and name   HA ) (resid   6 and name HD2# )  4.0  2.2  1.5 ! A.39   at -7.88e+05
assign (resid   6 and name   HA ) (resid   6 and name   HG )  4.0  2.2  1.0 ! A.38   at -7.69e+05
assign (resid   6 and name   HA ) (resid   6 and name HD1# )  2.5  0.7  0.7 ! A.44   at -4.42e+06
assign (resid   6 and name HD2# ) (resid   6 and name   HN )  4.0  2.2  0.8 ! B.8    at 3.68e+05
assign (resid   6 and name HD1# ) (resid   6 and name   HN )  3.0  1.2  0.5 ! B.6    at -4.41e+05
assign (resid   6 and name   HA ) (resid   6 and name   HN )  3.0  1.2  0.3 ! B.3    at -4.67e+05
assign (resid   6 and name  HB1 ) (resid   6 and name   HN )  3.0  1.2  0.6 ! B.7    at -6.39e+05
assign (resid   6 and name  HB2 ) (resid   6 and name   HN )  3.0  2.2  0.2 ! B.9    at -1.52e+05
assign (resid   6 and name   HG ) (resid   6 and name   HN )  4.0  2.2  1.0 ! B.5    at -3.21e+05
assign (resid   6 and name HD1# ) (resid   7 and name   HN )  4.0  2.2  1.2 ! B.472  at 4.64e+05
!!!assign (resid   6 and name HD2# ) (resid   7 and name   HN )  4.0  2.2  3.0 ! B.43   at 4.51e+05
assign (resid   6 and name  HB2 ) (resid   7 and name   HN )  4.0  2.2  0.5 ! B.473  at 3.94e+05
assign (resid   6 and name   HG ) (resid   7 and name   HN )  4.0  2.2  1.0 ! B.503  at -1.12e+05
assign (resid   6 and name   HA ) (resid   7 and name   HN )  2.5  0.7  0.5 ! B.37   at 3.10e+06
assign (resid   6 and name   HA ) (resid  10 and name  HB1 )  3.0  1.2  1.0 ! A.769  at -5.75e+05
assign (resid   6 and name   HA ) (resid  10 and name  HB2 )  3.0  1.2  1.0 ! A.61   at -7.39e+05
assign (resid   6 and name HD1# ) (resid  10 and name  HB2 )  4.0  2.2  1.5 ! A.49   at 8.98e+05
assign (resid   6 and name HD1# ) (resid  10 and name  HB1 )  3.0  1.2  0.8 ! A.59   at 1.52e+06
assign (resid   6 and name  HB2 ) (resid  10 and name  HB1 )  4.0  2.2  1.0 ! A.772  at -7.79e+05
assign (resid   6 and name HD2# ) (resid  10 and name  HB1 )  4.0  2.2  1.8 ! A.780  at 3.04e+05
assign (resid   6 and name HD2# ) (resid  10 and name  HB2 )  4.0  2.2  2.5 ! A.781  at 2.70e+05
assign (resid   6 and name  HB1 ) (resid  11 and name HD2# )  4.0  2.2  0.8 ! A.782  at 3.45e+05
assign (resid   6 and name  HB2 ) (resid  11 and name HD2# )  4.0  2.2  1.5 ! A.804  at 8.17e+05
assign (resid   6 and name  HB1 ) (resid  11 and name   HA )  4.0  2.2  1.0 ! A.29   at -8.64e+05
assign (resid   6 and name  HB2 ) (resid  11 and name  HB1 )  4.0  2.2  2.0 ! A.703  at 3.05e+05
assign (resid   6 and name  HB2 ) (resid  11 and name   HA )  4.0  2.2  0.5 ! A.35   at -5.17e+05
assign (resid   6 and name HD2# ) (resid  11 and name HD1# )  3.0  1.2  1.3 ! A.693  at -2.32e+06
assign (resid   6 and name  HB1 ) (resid  11 and name HD1# )  3.0  1.2  0.8 ! A.681  at -1.23e+06
assign (resid   6 and name  HB2 ) (resid  11 and name HD1# )  3.0  1.2  1.2 ! A.827  at -1.05e+06
assign (resid   6 and name HD1# ) (resid  11 and name   HA )  4.0  2.2  0.5 ! A.47   at -1.06e+06
assign (resid   6 and name HD2# ) (resid  11 and name   HA )  3.0  1.2  1.0 ! A.40   at -6.79e+05
assign (resid   6 and name HD1# ) (resid  11 and name   HN )  4.0  2.2  1.7 ! B.68   at 4.78e+05
assign (resid   6 and name  HB2 ) (resid  11 and name   HN )  4.0  2.2  1.5 ! B.505  at 4.07e+05
assign (resid   6 and name HD2# ) (resid  11 and name   HN )  4.0  2.2  2.5 ! B.67   at 3.72e+05
assign (resid   6 and name HD1# ) (resid  14 and name  HB# )  3.0  1.2  1.3 ! A.626  at 2.57e+06
assign (resid   6 and name HD2# ) (resid  14 and name  HB# )  2.5  0.7  1.2 ! A.623  at -4.04e+06
!!!assign (resid   6 and name HD1# ) (resid  14 and name   HN )  4.0  2.2  2.8 ! B.112  at -3.45e+05
assign (resid   6 and name HD2# ) (resid  14 and name   HN )  4.0  2.2  1.5 ! B.111  at -4.21e+05
assign (resid   6 and name  HB2 ) (resid  43 and name   HA )  4.0  2.2  1.0 ! A.34   at -6.95e+05
assign (resid   6 and name   HN ) (resid  43 and name   HA )  3.0  1.2  0.5 ! B.1    at 1.09e+06
assign (resid   6 and name HD2# ) (resid  49 and name HD2# )  4.0  2.2  1.2 ! A.777  at 6.94e+06
!!!assign (resid   6 and name  HB1 ) (resid  52 and name   HG )  4.0  2.2  2.5 ! A.702  at -4.97e+05
assign (resid   6 and name HD2# ) (resid  52 and name HD2# )  3.0  1.2  1.5 ! A.778  at 6.55e+06
assign (resid   6 and name HD1# ) (resid  52 and name HD1# )  4.0  2.2  1.7 ! A.806  at 7.91e+07
!!assign (resid   6 and name HD1# ) (resid  52 and name HD2# )  4.0  2.2  2.5 ! A.806  at 6.81e+06
assign (resid   6 and name HD2# ) (resid  52 and name HD1# )  2.5  0.7  1.2 ! A.458  at 3.19e+08
assign (resid   6 and name  HB2 ) (resid  52 and name HD1# )  4.0  2.2  1.0 ! A.397  at -3.61e+06
assign (resid   6 and name  HB2 ) (resid  52 and name HD2# )  4.0  2.2  1.0 ! A.449  at -2.64e+06

! C7
assign (resid   7 and name   HA ) (resid   7 and name  HB1 )  2.5  0.7  0.5 ! B.786  at 1.19e+06
assign (resid   7 and name   HA ) (resid   7 and name  HB2 )  3.0  1.2  0.5 ! B.788  at 1.04e+06
assign (resid   7 and name   HA ) (resid   7 and name   HN )  3.0  1.2  0.5 ! B.38   at 6.63e+05
assign (resid   7 and name  HB2 ) (resid   7 and name   HN )  2.5  0.7  0.5 ! B.40   at 7.90e+06
assign (resid   7 and name  HB1 ) (resid   7 and name   HN )  3.0  1.2  1.0 ! B.39   at 5.35e+06
assign (resid   7 and name   HA ) (resid   8 and name   HN )  2.5  0.7  0.5 ! B.46   at 2.63e+05
assign (resid   7 and name  HB2 ) (resid  10 and name  HB2 )  4.0  2.2  2.0 ! A.785  at -2.35e+05
assign (resid   7 and name  HB2 ) (resid  10 and name  HB1 )  4.0  2.2  1.2 ! A.799  at -6.35e+05
assign (resid   7 and name   HN ) (resid  10 and name  HB1 )  2.5  0.7  0.5 ! B.42   at -4.86e+05
assign (resid   7 and name   HN ) (resid  10 and name  HB2 )  3.0  1.2  0.3 ! B.41   at -4.13e+05
!!assign (resid   7 and name  HB1 ) (resid  11 and name HD1# )  4.0  2.2  2.5 ! A.786  at 3.87e+05
assign (resid   7 and name   HA ) (resid  43 and name   HA )  3.0  1.2  1.0 ! A.833  at 1.68e+06
assign (resid   7 and name  HB1 ) (resid  43 and name   HA )  4.0  2.2  1.0 ! A.57   at 1.67e+06
assign (resid   7 and name  HB2 ) (resid  43 and name   HA )  4.0  2.2  1.0 ! A.789  at 9.78e+05
assign (resid   7 and name   HA ) (resid  43 and name   HN )  4.0  2.2  1.0 ! B.494  at 2.36e+05

! G8
assign (resid   8 and name  HA2 ) (resid   8 and name   HN )  2.5  0.7  0.5 ! B.44   at 5.57e+05
assign (resid   8 and name  HA1 ) (resid   8 and name   HN )  3.0  1.2  0.2 ! B.45   at 5.38e+05
assign (resid   8 and name  HA2 ) (resid  10 and name   HN )  4.0  2.2  0.5 ! B.54   at 5.10e+05
assign (resid   8 and name  HA1 ) (resid  10 and name   HN )  3.0  1.2  0.5 ! B.53   at 5.10e+05
!!assign (resid   8 and name  HA2 ) (resid  11 and name HD1# )  4.0  2.2  2.8 ! A.791  at -5.54e+05
!!assign (resid   8 and name  HA1 ) (resid  39 and name HG2# )  3.0  1.2  0.8 ! A.790  at -1.63e+06
!!assign (resid   8 and name  HA2 ) (resid  39 and name HG2# )  4.0  2.2  1.5 ! A.792  at -9.74e+05
assign (resid   8 and name   HN ) (resid  43 and name  HB2 )  3.0  1.2  1.0 ! B.474  at -1.72e+06
assign (resid   8 and name   HN ) (resid  43 and name  HB1 )  4.0  2.2  1.5 ! B.476  at -1.58e+05

! S9
assign (resid   9 and name  HB2 ) (resid  10 and name   HN )  3.0  1.2  0.2 ! B.60   at 1.09e+06
assign (resid   9 and name  HB1 ) (resid  10 and name   HN )  3.0  1.2  1.0 ! B.59   at 6.31e+05
assign (resid   9 and name   HA ) (resid  10 and name   HN )  3.0  1.2  1.0 ! B.58   at 5.07e+05
assign (resid   9 and name   HA ) (resid  11 and name   HN )  4.0  2.2  1.0 ! B.420  at 2.46e+05
assign (resid   9 and name   HA ) (resid  12 and name HG1# )  3.0  1.2  1.8 ! A.802  at 5.33e+05
assign (resid   9 and name   HA ) (resid  12 and name HG2# )  3.0  1.2  0.3 ! A.94   at 1.18e+06
assign (resid   9 and name   HA ) (resid  12 and name   HB )  3.0  1.2  0.3 ! A.92   at -1.37e+06
assign (resid   9 and name   HA ) (resid  12 and name   HN )  3.0  1.2  1.0 ! B.73   at 8.05e+05
assign (resid   9 and name   HA ) (resid  13 and name   HN )  3.0  1.2  1.0 ! B.93   at 3.64e+05
assign (resid   9 and name   HA ) (resid  13 and name  HG1 )  3.0  1.2  1.5 ! A.885  at 4.78e+05
assign (resid   9 and name  HB1 ) (resid  13 and name  HG1 )  3.0  1.2  0.5 ! A.884  at 1.45e+06

! D10
assign (resid  10 and name   HA ) (resid  10 and name  HB1 )  2.5  0.7  0.4 ! A.58  at -1.63e+06
assign (resid  10 and name   HA ) (resid  10 and name  HB2 )  2.5  0.7  0.8 ! A.60  at -1.18e+06
assign (resid  10 and name   HA ) (resid  10 and name   HN )  2.5  0.7  0.5 ! B.55   at 2.04e+06
assign (resid  10 and name  HB1 ) (resid  10 and name   HN )  3.0  1.2  0.5 ! B.56   at -1.57e+06
assign (resid  10 and name  HB2 ) (resid  10 and name   HN )  3.0  1.2  0.2 ! B.57   at -2.69e+06
assign (resid  10 and name   HA ) (resid  11 and name   HN )  3.0  1.2  1.0 ! B.64   at 4.45e+05
assign (resid  10 and name  HB1 ) (resid  11 and name   HN )  3.0  1.2  1.0 ! B.70   at -2.74e+05
assign (resid  10 and name  HB2 ) (resid  11 and name   HN )  3.0  1.2  0.5 ! B.69   at -5.54e+05
assign (resid  10 and name   HN ) (resid  11 and name   HN )  2.5  0.7  0.4 ! C.7    at -2.46e+06
!!!!assign (resid  10 and name  HB2 ) (resid  13 and name  HB# )  4.0  2.2  2.5 ! A.771  at 3.42e+05
assign (resid  10 and name   HA ) (resid  13 and name  HB# )  3.0  1.2  1.2 ! A.349  at -1.33e+06
assign (resid  10 and name   HA ) (resid  13 and name   HN )  4.0  2.2  0.3 ! B.83   at 7.18e+05
assign (resid  10 and name   HA ) (resid  14 and name   HN )  4.0  2.2  1.0 ! B.108  at 4.12e+05
!!assign (resid  10 and name   HA ) (resid  26 and name  HE1 )  4.0  2.2  2.0 ! A.602  at -4.10e+05

! L11
assign (resid  11 and name   HA ) (resid  11 and name  HB1 )  3.0  1.2  0.7 ! A.67  at -9.65e+05
assign (resid  11 and name   HA ) (resid  11 and name  HB2 )  2.5  0.7  0.4 ! A.75  at -1.09e+06
assign (resid  11 and name   HA ) (resid  11 and name HD1# )  2.5  0.7  0.7 ! A.688  at 4.15e+06
assign (resid  11 and name  HB1 ) (resid  11 and name HD1# )  3.0  1.2  0.8 ! A.685  at -1.25e+06
assign (resid  11 and name  HB2 ) (resid  11 and name HD1# )  3.0  1.2  0.8 ! A.684  at -1.71e+06
assign (resid  11 and name HD2# ) (resid  11 and name  HB1 )  3.0  1.2  0.8 ! A.69   at 2.12e+06
assign (resid  11 and name HD2# ) (resid  11 and name  HB2 )  3.0  1.2  0.8 ! A.74   at 1.73e+06
assign (resid  11 and name HD2# ) (resid  11 and name   HA )  3.0  1.2  1.5 ! A.62   at -1.33e+06
assign (resid  11 and name   HA ) (resid  11 and name   HG )  4.0  2.2  1.0 ! A.77   at -7.21e+05
assign (resid  11 and name HD1# ) (resid  11 and name   HN )  4.0  2.2  1.0 ! B.68   at 4.08e+05
assign (resid  11 and name HD2# ) (resid  11 and name   HN )  4.0  2.2  1.5 ! B.62   at -3.35e+05
assign (resid  11 and name   HG ) (resid  11 and name   HN )  4.0  2.2  1.0 ! B.61   at -5.77e+05
assign (resid  11 and name   HA ) (resid  11 and name   HN )  2.5  0.7  0.5 ! B.63   at 1.15e+06
assign (resid  11 and name  HB1 ) (resid  11 and name   HN )  3.0  1.2  0.2 ! B.65   at -1.80e+06
assign (resid  11 and name  HB2 ) (resid  11 and name   HN )  3.0  1.2  0.2 ! B.508  at -1.36e+06
assign (resid  11 and name   HA ) (resid  12 and name   HN )  3.0  1.2  1.0 ! B.72   at 4.58e+05
assign (resid  11 and name  HB1 ) (resid  12 and name   HN )  3.0  1.2  1.0 ! B.75   at -6.67e+05
assign (resid  11 and name  HB2 ) (resid  12 and name   HN )  3.0  1.2  1.0 ! B.76   at -3.40e+05
assign (resid  11 and name   HN ) (resid  12 and name   HN )  2.5  0.7  0.4 ! C.8    at -1.78e+06
assign (resid  11 and name HD1# ) (resid  14 and name  HB# )  4.0  2.2  1.3 ! A.682  at 1.60e+06
assign (resid  11 and name   HA ) (resid  14 and name  HB# )  3.0  1.2  0.8 ! A.622  at 1.58e+06
!!assign (resid  11 and name   HG ) (resid  14 and name  HB# )  4.0  2.2  2.5 ! A.757  at -4.00e+05
assign (resid  11 and name   HA ) (resid  14 and name   HN )  3.0  1.2  0.5 ! B.107  at 1.01e+06
assign (resid  11 and name HD1# ) (resid  15 and name HD1# )  3.0  1.2  1.3 ! A.691  at -1.11e+06
assign (resid  11 and name HD1# ) (resid  15 and name HD2# )  3.0  1.2  1.6 ! A.821  at -1.03e+06
assign (resid  11 and name   HG ) (resid  15 and name   HG )  2.5  0.7  0.5 ! A.78   at 1.95e+07
assign (resid  11 and name HD1# ) (resid  15 and name   HG )  2.5  0.7  0.2 ! A.823  at 1.00e+06
assign (resid  11 and name HD2# ) (resid  15 and name HD2# )  4.0  2.2  1.8 ! A.399  at 1.12e+06
assign (resid  11 and name   HG ) (resid  15 and name HD1# )  3.0  1.2  0.5 ! A.640  at 1.35e+06
assign (resid  11 and name   HG ) (resid  15 and name HD2# )  4.0  2.2  1.0 ! A.822  at 1.02e+05
assign (resid  11 and name   HG ) (resid  15 and name   HN )  3.0  1.2  1.0 ! B.515  at 4.58e+05
assign (resid  11 and name HD1# ) (resid  15 and name   HN )  4.0  2.2  0.5 ! B.477  at 4.92e+05
assign (resid  11 and name   HG ) (resid  26 and name  HE1 )  3.0  1.2  1.0 ! A.599  at 3.50e+05
assign (resid  11 and name HD2# ) (resid  26 and name  HE1 )  3.0  1.2  0.8 ! A.597  at 1.52e+06
!!assign (resid  11 and name HD2# ) (resid  37 and name  HA1 )  4.0  2.2  2.5 ! A.698  at 5.36e+05
assign (resid  11 and name HD1# ) (resid  38 and name HD1# )  4.0  2.2  0.5 ! A.686  at 1.02e+06
assign (resid  11 and name HD1# ) (resid  38 and name HG2# )  4.0  2.2  1.7 ! A.235  at 1.11e+06
assign (resid  11 and name HD1# ) (resid  38 and name HG11 )  4.0  2.2  1.0 ! A.690  at -3.22e+05
assign (resid  11 and name HD1# ) (resid  38 and name HG12 )  4.0  2.2  2.0 ! A.689  at -4.02e+05
assign (resid  11 and name HD2# ) (resid  38 and name HG2# )  3.0  1.2  1.3 ! A.238  at -2.18e+06
assign (resid  11 and name   HG ) (resid  38 and name HD1# )  4.0  2.2  1.5 ! A.644  at -3.14e+05
assign (resid  11 and name HD2# ) (resid  38 and name HD1# )  4.0  2.2  1.0 ! A.643  at -9.04e+05
assign (resid  11 and name HD2# ) (resid  38 and name HG12 )  4.0  2.2  0.7 ! A.321  at 5.33e+06
assign (resid  11 and name HD2# ) (resid  39 and name HG2# )  3.0  1.2  1.5 ! A.336  at -2.31e+06
assign (resid  11 and name HD2# ) (resid  39 and name   HA )  4.0  2.2  0.5 ! A.697  at -3.13e+05
assign (resid  11 and name HD2# ) (resid  39 and name HG1# )  4.0  2.2  1.5 ! A.85   at -1.69e+06
assign (resid  11 and name HD1# ) (resid  52 and name HD2# )  2.5  0.7  1.2 ! A.692  at -4.30e+06
assign (resid  11 and name HD1# ) (resid  52 and name HD1# )  3.0  1.2  1.3 ! A.694  at -3.32e+06
assign (resid  11 and name HD2# ) (resid  52 and name HD2# )  3.0  1.2  1.5 ! A.436  at 5.32e+07
!!assign (resid  11 and name HD2# ) (resid  52 and name   HG )  4.0  2.2  3.0 ! A.700  at 5.34e+05
!!!!!!assign (resid  11 and name HD2# ) (resid  55 and name  HD2 )  4.0  2.2  0.5 ! A.711  at 7.92e+05

! V12
assign (resid  12 and name   HA ) (resid  11 and name   HB )  2.5  0.7  0.7 ! A.93  at -1.04e+06
assign (resid  12 and name HG2# ) (resid  12 and name   HA )  3.0  1.2  0.2 ! A.91   at 3.50e+06
assign (resid  12 and name HG1# ) (resid  12 and name   HA )  3.0  1.2  0.2 ! A.90   at 3.27e+06
assign (resid  12 and name HG2# ) (resid  12 and name   HN )  3.0  1.2  0.5 ! B.77   at 2.54e+06
assign (resid  12 and name HG1# ) (resid  12 and name   HN )  4.0  2.2  1.5 ! B.78   at 5.84e+05
assign (resid  12 and name   HA ) (resid  12 and name   HN )  2.5  0.7  0.4 ! B.74   at 1.19e+06
assign (resid  12 and name   HB ) (resid  12 and name   HN )  3.0  1.2  0.5 ! B.71   at -1.87e+06
assign (resid  12 and name HG2# ) (resid  13 and name   HN )  4.0  2.2  1.0 ! B.96   at 6.50e+05
assign (resid  12 and name HG1# ) (resid  13 and name   HN )  3.0  1.2  1.0 ! B.95   at 1.10e+06
assign (resid  12 and name   HA ) (resid  13 and name   HN )  3.0  1.2  1.0 ! B.88   at 4.56e+05
assign (resid  12 and name   HB ) (resid  13 and name   HN )  3.0  1.2  0.5 ! B.86   at -2.28e+06
assign (resid  12 and name   HN ) (resid  13 and name   HN )  2.5  0.7  0.7 ! C.11   at -9.09e+05
assign (resid  12 and name   HA ) (resid  14 and name   HN )  3.0  1.2  1.3 ! B.510  at 2.11e+05
assign (resid  12 and name   HB ) (resid  14 and name   HN )  4.0  2.2  1.0 ! B.511  at -2.08e+05
assign (resid  12 and name HG1# ) (resid  14 and name   HN )  4.0  2.2  2.0 ! B.512  at 1.71e+05
assign (resid  12 and name HG1# ) (resid  15 and name  HB1 )  4.0  2.2  2.3 ! A.290  at -2.79e+06
assign (resid  12 and name   HA ) (resid  15 and name HD1# )  3.0  1.2  1.2 ! A.246  at -7.82e+05
assign (resid  12 and name   HA ) (resid  15 and name   HN )  3.0  1.2  0.5 ! B.115  at 1.20e+06
!!assign (resid  12 and name HG1# ) (resid  16 and name  HD2 )  3.0  1.2  0.8 ! A.104  at -2.09e+06
!!assign (resid  12 and name HG1# ) (resid  16 and name  HE1 )  3.0  1.2  0.8 ! A.105  at -1.76e+06
!!assign (resid  12 and name HG1# ) (resid  16 and name  HB# )  4.0  2.2  3.0 ! A.299  at -5.71e+05
assign (resid  12 and name   HA ) (resid  16 and name   HN )  4.0  2.2  0.5 ! B.133  at 2.96e+05
assign (resid  12 and name HG1# ) (resid  16 and name   HN )  4.0  2.2  1.0 ! B.520  at 3.73e+05
assign (resid  12 and name HG2# ) (resid  16 and name   HN )  4.0  2.2  2.8 ! B.481  at 2.22e+05
!!assign (resid  12 and name HG1# ) (resid  17 and name HD2# )  2.5  0.7  1.2 ! A.107  at -5.34e+06

assign (resid  12 and name HG1# ) (resid  24 and name   HZ )  3.0  1.2  0.2 ! A.99   at -1.15e+06
assign (resid  12 and name HG1# ) (resid  24 and name  HE2 )  3.0  1.2  1.2 ! A.761  at -1.15e+06
assign (resid  12 and name HG2# ) (resid  24 and name  HE2 )  4.0  2.2  0.6 ! A.803  at -4.02e+05

assign (resid  12 and name HG2# ) (resid  26 and name  HB# )  4.0  2.2  1.3 ! A.588  at -4.19e+05
assign (resid  12 and name HG2# ) (resid  26 and name  HD1 )  3.0  1.2  0.5 ! A.856  at -3.81e+05
assign (resid  12 and name HG2# ) (resid  26 and name  HE1 )  3.0  1.2  0.3 ! A.601  at -9.29e+05
assign (resid  12 and name HG2# ) (resid  26 and name  HE2 )  4.0  2.2  1.5 ! A.854  at -9.29e+05
assign (resid  12 and name   HN ) (resid  26 and name  HD1 )  3.0  1.2  1.5 ! B.80   at -1.42e+06
assign (resid  12 and name   HN ) (resid  24 and name   HZ )  4.0  2.2  2.0 ! B.395  at -3.45e+05

! E13
assign (resid  13 and name   HA ) (resid  13 and name  HB# )  2.5  0.7  0.3 ! A.182  at 4.01e+06
assign (resid  13 and name   HA ) (resid  13 and name  HG2 )  3.0  1.2  0.5 ! A.883  at 1.15e+06
assign (resid  13 and name   HA ) (resid  13 and name  HG2 )  2.5  0.7  0.5 ! A.881  at 9.89e+05
assign (resid  13 and name   HA ) (resid  13 and name   HN )  2.5  0.7  0.5 ! B.84   at 1.98e+06
assign (resid  13 and name  HB# ) (resid  13 and name   HN )  2.5  0.7  0.6 ! B.82   at -5.38e+06
assign (resid  13 and name  HG2 ) (resid  13 and name   HN )  3.0  1.2  0.2 ! B.85   at -1.47e+06
assign (resid  13 and name  HG1 ) (resid  13 and name   HN )  3.0  1.2  1.0 ! B.100  at -1.47e+06
assign (resid  13 and name  HB# ) (resid  14 and name  HB# )  4.0  2.2  1.5 ! A.632  at -4.76e+05
assign (resid  13 and name   HA ) (resid  14 and name   HN )  3.0  1.2  0.5 ! B.106  at 1.07e+06
assign (resid  13 and name  HG2 ) (resid  14 and name   HN )  4.0  2.2  1.0 ! B.109  at -5.42e+05
assign (resid  13 and name  HG1 ) (resid  14 and name   HN )  4.0  2.2  1.0 ! B.110  at -5.42e+05
assign (resid  13 and name  HB# ) (resid  14 and name   HN )  3.0  1.2  0.5 ! B.104  at -3.34e+06
assign (resid  13 and name   HN ) (resid  14 and name  HB# )  4.0  2.2  1.8 ! B.94   at 2.57e+05
assign (resid  13 and name   HN ) (resid  14 and name   HN )  2.5  0.7  0.4 ! C.14   at -4.67e+06
assign (resid  13 and name   HA ) (resid  15 and name   HN )  4.0  2.2  1.0 ! B.478  at 2.70e+05
assign (resid  13 and name   HA ) (resid  16 and name  HD1 )  3.0  1.2  1.3 ! A.101  at -1.27e+06
assign (resid  13 and name   HA ) (resid  16 and name  HB# )  3.0  1.2  1.0 ! A.293  at -2.10e+06
assign (resid  13 and name   HA ) (resid  16 and name   HN )  3.0  1.2  1.0 ! B.127  at 8.63e+05
assign (resid  13 and name  HB# ) (resid  16 and name   HN )  4.0  2.2  1.5 ! B.138  at -2.96e+05
!!assign (resid  13 and name  HG1 ) (resid  29 and name  HB1 )  4.0  2.2  1.0 ! A.568  at -9.29e+05

! A14
assign (resid  14 and name   HA ) (resid  14 and name   HB )  2.5  0.7  0.3 ! A.621  at 6.17e+06
assign (resid  14 and name   HA ) (resid  14 and name   HN )  2.5  0.7  0.5 ! B.103  at 3.13e+06
assign (resid  14 and name  HB# ) (resid  14 and name   HN )  2.5  0.7  0.5 ! B.105  at 9.24e+06
assign (resid  14 and name  HB# ) (resid  15 and name   HG )  4.0  2.2  1.0 ! A.284  at -4.57e+05
assign (resid  14 and name  HB# ) (resid  15 and name HD2# )  4.0  2.2  3.0 ! A.280  at -6.07e+05
assign (resid  14 and name  HB# ) (resid  15 and name   HN )  3.0  1.2  1.0 ! B.117  at 3.96e+06
assign (resid  14 and name   HA ) (resid  15 and name   HN )  3.0  1.2  1.0 ! B.113  at 8.75e+05
assign (resid  14 and name   HN ) (resid  15 and name   HN )  2.5  0.7  0.4 ! C.15   at -3.43e+06
assign (resid  14 and name   HA ) (resid  16 and name  HD1 )  4.0  2.2  2.0 ! A.637  at -6.69e+05
assign (resid  14 and name  HB# ) (resid  16 and name   HN )  4.0  2.2  1.5 ! B.132  at 3.64e+05
assign (resid  14 and name   HA ) (resid  16 and name   HN )  4.0  2.2  1.0 ! B.125  at 3.14e+05
assign (resid  14 and name   HN ) (resid  16 and name   HN )  3.0  1.2  1.0 ! A.128  at -7.32e+05
assign (resid  14 and name   HA ) (resid  17 and name  HB1 )  4.0  2.2  1.5 ! A.122  at -9.91e+05
assign (resid  14 and name   HA ) (resid  17 and name  HB2 )  3.0  1.2  1.0 ! A.128  at -7.31e+05
!!assign (resid  14 and name  HB# ) (resid  17 and name HD2# )  4.0  2.2  3.0 ! A.758  at -6.21e+05
assign (resid  14 and name  HB# ) (resid  17 and name HD1# )  4.0  2.2  1.6 ! A.628  at -6.21e+05
assign (resid  14 and name   HA ) (resid  17 and name HD1# )  3.0  1.2  1.0 ! A.635  at -7.16e+05
assign (resid  14 and name   HN ) (resid  17 and name HD1# )  4.0  2.2  1.0 ! B.509  at -2.14e+05
!!assign (resid  14 and name   HA ) (resid  18 and name HG1# )  4.0  2.2  3.0 ! A.619  at 3.80e+05
!!assign (resid  14 and name  HB# ) (resid  18 and name HG1# )  3.0  1.2  1.3 ! A.135  at 1.06e+06
assign (resid  14 and name  HB# ) (resid  18 and name HG2# )  4.0  2.2  1.5 ! A.756  at 3.15e+05
assign (resid  14 and name   HA ) (resid  18 and name   HN )  4.0  2.2  0.3 ! B.158  at 3.37e+05
assign (resid  14 and name  HB# ) (resid  49 and name HD2# )  4.0  2.2  1.5 ! A.629  at -2.49e+06
assign (resid  14 and name  HB# ) (resid  52 and name HD1# )  3.0  1.2  1.0 ! A.631  at -4.04e+06
assign (resid  14 and name  HB# ) (resid  52 and name HD2# )  4.0  2.2  1.8 ! A.630  at -1.43e+06

! L15
assign (resid  15 and name   HA ) (resid  15 and name  HB2 )  3.0  1.2  1.0 ! A.288  at 3.18e+05
assign (resid  15 and name HD1# ) (resid  15 and name  HB1 )  3.0  1.2  1.0 ! A.289  at 5.65e+05
assign (resid  15 and name HD2# ) (resid  15 and name  HB2 )  3.0  1.2  1.0 ! A.286  at 5.30e+05
assign (resid  15 and name HD1# ) (resid  15 and name  HB2 )  3.0  1.2  0.5 ! A.287  at 4.74e+05
assign (resid  15 and name   HA ) (resid  15 and name   HG )  4.0  2.2  1.0 ! A.283  at -7.72e+05
assign (resid  15 and name   HA ) (resid  15 and name HD1# )  4.0  2.2  1.0 ! A.258  at -5.02e+05
assign (resid  15 and name  HB1 ) (resid  15 and name HD2# )  3.0  1.2  0.5 ! A.271  at 6.61e+05
assign (resid  15 and name   HA ) (resid  15 and name HD2# )  2.5  0.7  0.7 ! A.279  at -5.58e+06
assign (resid  15 and name   HA ) (resid  15 and name   HN )  2.5  0.7  0.5 ! B.114  at 1.86e+06
assign (resid  15 and name  HB2 ) (resid  15 and name   HN )  2.5  0.7  0.5 ! B.118  at -1.56e+06
assign (resid  15 and name  HB1 ) (resid  15 and name   HN )  3.0  1.2  1.0 ! B.119  at -8.69e+05
assign (resid  15 and name   HG ) (resid  15 and name   HN )  3.0  1.2  0.5 ! B.120  at -2.92e+06
assign (resid  15 and name HD2# ) (resid  15 and name   HN )  3.0  1.2  1.6 ! B.121  at -1.06e+06
assign (resid  15 and name HD1# ) (resid  15 and name   HN )  3.0  1.2  1.2 ! B.122  at -1.14e+06
assign (resid  15 and name   HA ) (resid  16 and name   HN )  3.0  1.2  1.0 ! B.128  at 4.98e+05
assign (resid  15 and name   HG ) (resid  16 and name   HN )  4.0  2.2  1.0 ! B.483  at -6.72e+05
assign (resid  15 and name HD1# ) (resid  16 and name   HN )  4.0  2.2  2.0 ! B.136  at -5.39e+05
assign (resid  15 and name HD2# ) (resid  16 and name   HN )  4.0  2.2  2.0 ! B.135  at -4.10e+05
assign (resid  15 and name  HB2 ) (resid  16 and name   HN )  3.0  1.2  0.5 ! B.130  at -4.63e+05
assign (resid  15 and name  HB1 ) (resid  16 and name   HN )  3.0  1.2  1.0 ! B.131  at -2.22e+05
assign (resid  15 and name   HN ) (resid  16 and name   HN )  2.5  0.7  0.4 ! C.21   at -7.39e+06
!!assign (resid  15 and name  HB1 ) (resid  17 and name HD2# )  3.0  1.2  0.8 ! A.164  at -2.67e+06
assign (resid  15 and name   HA ) (resid  18 and name HG1# )  4.0  2.2  1.0 ! A.130  at 1.59e+06
assign (resid  15 and name  HB1 ) (resid  18 and name HG2# )  4.0  2.2  1.7 ! A.143  at 2.09e+06
assign (resid  15 and name  HB1 ) (resid  18 and name HG1# )  4.0  2.2  1.8 ! A.291  at -2.08e+06
assign (resid  15 and name HD2# ) (resid  18 and name   HB )  4.0  2.2  0.5 ! A.262  at 8.85e+05
assign (resid  15 and name   HA ) (resid  18 and name   HB )  3.0  1.2  0.3 ! A.148  at -1.51e+06
assign (resid  15 and name HD2# ) (resid  18 and name HG1# )  4.0  2.2  1.0 ! A.282  at -1.16e+06
assign (resid  15 and name HD2# ) (resid  18 and name HG2# )  4.0  2.2  1.5 ! A.281  at -9.62e+05
assign (resid  15 and name   HA ) (resid  18 and name   HN )  3.0  1.2  0.8 ! B.149  at 1.01e+06
assign (resid  15 and name   HA ) (resid  19 and name   HN )  3.0  1.2  0.5 ! B.161  at 9.86e+05
assign (resid  15 and name HD2# ) (resid  19 and name   HN )  4.0  2.2  1.2 ! B.485  at 3.34e+05

assign (resid  15 and name HD1# ) (resid  24 and name  HE2 )  3.0  1.2  1.0 ! A.252  at 2.74e+05
assign (resid  15 and name HD1# ) (resid  24 and name  HD2 )  3.0  1.2  1.0 ! A.253  at 7.27e+05
assign (resid  15 and name HD2# ) (resid  24 and name  HB1 )  4.0  2.2  1.5 ! A.275  at 3.18e+05
assign (resid  15 and name HD2# ) (resid  24 and name  HB2 )  4.0  2.2  1.0 ! A.274  at 4.85e+05
assign (resid  15 and name HD2# ) (resid  24 and name  HD2 )  4.0  2.2  1.5 ! A.259  at 4.17e+05
assign (resid  15 and name   HN ) (resid  24 and name   HZ )  4.0  2.2  1.3 ! B.516  at -1.30e+05

assign (resid  15 and name HD1# ) (resid  26 and name  HE1 )  4.0  2.2  0.2 ! A.251  at 4.31e+05
assign (resid  15 and name HD1# ) (resid  26 and name  HD1 )  3.0  2.2  0.6 ! A.254  at 4.90e+05

assign (resid  15 and name HD2# ) (resid  38 and name HD1# )  4.0  2.2  1.3 ! A.310  at -1.37e+06
assign (resid  15 and name HD1# ) (resid  38 and name HD1# )  4.0  2.2  0.8 ! A.306  at -1.20e+06
assign (resid  15 and name HD1# ) (resid  38 and name HG2# )  4.0  2.2  1.5 ! A.256  at -4.16e+06

assign (resid  15 and name   HG ) (resid  52 and name HD1# )  3.0  1.2  1.2 ! A.457  at 4.64e+05
assign (resid  15 and name   HG ) (resid  52 and name HD2# )  3.0  2.2  1.0 ! A.452  at 6.51e+05
assign (resid  15 and name HD2# ) (resid  52 and name HD2# )  3.0  1.2  1.2 ! A.450  at 1.79e+07
assign (resid  15 and name HD2# ) (resid  52 and name  HB1 )  3.0  1.2  0.5 ! A.272  at 9.92e+05
assign (resid  15 and name HD2# ) (resid  52 and name  HB2 )  4.0  2.2  1.0 ! A.668  at 4.65e+05
assign (resid  15 and name HD2# ) (resid  52 and name   HG )  4.0  2.2  1.5 ! A.263  at 9.21e+05
assign (resid  15 and name HD2# ) (resid  52 and name   HA )  4.0  2.2  1.5 ! A.278  at -7.10e+05
assign (resid  15 and name   HG ) (resid  52 and name   HN )  4.0  2.2  2.5 ! B.402  at -2.09e+05

assign (resid  15 and name   HN ) (resid  52 and name HD1# )  4.0  2.2  2.5 ! B.123  at -3.30e+05
assign (resid  15 and name HD1# ) (resid  55 and name  HD2 )  4.0  2.2  1.5 ! A.715  at 1.37e+06
assign (resid  15 and name HD2# ) (resid  55 and name  HD2 )  3.0  1.2  1.2 ! A.709  at 2.10e+06
assign (resid  15 and name HD2# ) (resid  55 and name  HB1 )  4.0  2.2  1.0 ! A.465  at 8.87e+05
assign (resid  15 and name HD2# ) (resid  55 and name  HB2 )  3.0  1.2  0.8 ! A.277  at 1.21e+06
assign (resid  15 and name HD2# ) (resid  55 and name  HE2 )  4.0  2.2  2.0 ! A.261  at 3.61e+05
assign (resid  15 and name HD2# ) (resid  55 and name   HN )  4.0  2.2  0.5 ! B.87   at -9.13e+05

! Y16
assign (resid  16 and name   HA ) (resid  16 and name  HB# )  2.5  0.7  0.5 ! A.294  at -2.75e+06
assign (resid  16 and name  HB# ) (resid  16 and name  HD1 )  2.5  0.7  0.7 ! A.103  at 4.43e+06
assign (resid  16 and name  HB# ) (resid  16 and name  HD2 )  2.5  0.7  0.7 ! A.102  at 4.43e+06
assign (resid  16 and name   HA ) (resid  16 and name  HD1 )  3.0  1.2  1.3 ! A.100  at -2.02e+06
assign (resid  16 and name   HA ) (resid  16 and name  HD2 )  2.5  0.7  0.4 ! A.810  at -2.02e+06
assign (resid  16 and name   HA ) (resid  16 and name   HN )  2.5  0.7  0.5 ! B.124  at -1.58e+06
assign (resid  16 and name  HB# ) (resid  16 and name   HN )  2.5  0.7  0.3 ! B.126  at -5.68e+06
assign (resid  16 and name  HD1 ) (resid  16 and name   HN )  4.0  2.2  1.0 ! B.129  at -8.35e+05
assign (resid  16 and name  HD2 ) (resid  16 and name   HN )  4.0  2.2  1.0 ! B.479  at -8.35e+05
assign (resid  16 and name  HD1 ) (resid  17 and name HD1# )  3.0  1.2  0.8 ! A.716  at 1.28e+06
assign (resid  16 and name  HD1 ) (resid  17 and name   HA )  3.0  1.2  1.0 ! A.111  at -1.19e+06
assign (resid  16 and name  HB# ) (resid  17 and name HD1# )  4.0  2.2  1.0 ! A.298  at 5.48e+05
!!assign (resid  16 and name  HE1 ) (resid  17 and name HD2# )  4.0  2.2  2.5 ! A.304  at 4.96e+05
assign (resid  16 and name  HD1 ) (resid  17 and name HD2# )  4.0  2.2  1.5 ! A.121  at 6.08e+05
assign (resid  16 and name   HA ) (resid  17 and name   HN )  3.0  1.2  1.0 ! B.147  at 3.08e+05
assign (resid  16 and name  HB# ) (resid  17 and name   HN )  3.0  1.2  1.0 ! B.141  at -4.96e+05
assign (resid  16 and name   HN ) (resid  17 and name   HN )  2.5  0.7  0.4 ! C.23   at -6.18e+05
assign (resid  16 and name   HA ) (resid  19 and name   HN )  3.0  1.2  1.0 ! B.164  at 5.94e+05
assign (resid  16 and name   HA ) (resid  20 and name   HN )  3.0  1.2  1.0 ! B.174  at 3.20e+05
assign (resid  16 and name  HD2 ) (resid  20 and name   HN )  4.0  2.2  1.0 ! B.490  at -1.79e+05

!!assign (resid  16 and name  HD1 ) (resid  24 and name  HE1 )  4.0  2.2  2.0 ! A.300  at 4.37e+05
assign (resid  16 and name  HD2 ) (resid  24 and name  HE1 )  3.0  1.2  0.5 ! A.300  at 4.37e+05
assign (resid  16 and name  HE2 ) (resid  24 and name  HE1 )  4.0  2.2  1.5 ! A.108  at 9.63e+06
assign (resid  16 and name   HA ) (resid  24 and name  HE1 )  3.0  1.2  0.2 ! A.212  at -7.13e+05
!!assign (resid  16 and name  HE1 ) (resid  24 and name   HZ )  4.0  2.2  2.0 ! A.302  at 5.29e+05
!!assign (resid  16 and name  HE1 ) (resid  25 and name  HE1 )  3.0  1.2  0.3 ! A.223  at 1.05e+06
!!assign (resid  16 and name  HE1 ) (resid  26 and name  HD1 )  3.0  1.2  0.3 ! A.303  at 2.32e+06

assign (resid  16 and name   HN ) (resid  24 and name  HE1 )  3.0  1.2  0.8 ! B.480  at 3.59e+05
assign (resid  16 and name   HN ) (resid  24 and name  HE2 )  4.0  2.2  1.5 ! B.518  at 3.59e+05
assign (resid  16 and name   HN ) (resid  24 and name   HZ )  3.0  1.2  1.0 ! B.482  at 3.59e+05

! L17
assign (resid  17 and name   HA ) (resid  17 and name  HB1 )  2.5  0.7  0.8 ! A.123  at -2.02e+06
assign (resid  17 and name   HA ) (resid  17 and name  HB2 )  2.5  0.7  0.8 ! A.127  at -2.08e+06
assign (resid  17 and name HD2# ) (resid  17 and name  HB2 )  3.0  1.2  0.8 ! A.162  at 1.88e+06
assign (resid  17 and name HD1# ) (resid  17 and name  HB2 )  3.0  1.2  0.8 ! A.161  at 1.85e+06
assign (resid  17 and name HD1# ) (resid  17 and name  HB1 )  3.0  1.2  0.8 ! A.125  at 2.37e+06
assign (resid  17 and name HD2# ) (resid  17 and name  HB1 )  3.0  1.2  0.8 ! A.126  at 1.42e+06
assign (resid  17 and name HD1# ) (resid  17 and name   HA )  3.0  1.2  1.2 ! A.154  at -2.90e+06
assign (resid  17 and name   HG ) (resid  17 and name   HA )  4.0  2.2  1.0 ! A.155  at -9.56e+05
assign (resid  17 and name   HA ) (resid  17 and name HD2# )  3.0  1.2  1.5 ! A.116  at -4.02e+06
assign (resid  17 and name   HA ) (resid  17 and name   HN )  2.5  0.7  0.5 ! B.140  at -5.21e+05
assign (resid  17 and name   HG ) (resid  17 and name   HN )  3.0  1.2  0.5 ! B.143  at -5.59e+05
assign (resid  17 and name  HB2 ) (resid  17 and name   HN )  3.0  1.2  0.2 ! B.145  at -1.00e+06
assign (resid  17 and name  HB1 ) (resid  17 and name   HN )  3.0  1.2  0.5 ! B.146  at -1.00e+06
assign (resid  17 and name HD1# ) (resid  18 and name HG2# )  4.0  2.2  2.0 ! A.169  at -4.47e+06
assign (resid  17 and name   HN ) (resid  18 and name HG2# )  4.0  2.2  1.5 ! B.144  at 3.73e+05
assign (resid  17 and name   HA ) (resid  18 and name   HN )  3.0  1.2  1.0 ! B.148  at 6.67e+05
assign (resid  17 and name   HG ) (resid  18 and name   HN )  4.0  2.2  1.0 ! B.156  at -7.33e+05
assign (resid  17 and name  HB1 ) (resid  18 and name   HN )  3.0  1.2  0.5 ! B.152  at -1.17e+06
assign (resid  17 and name  HB2 ) (resid  18 and name   HN )  3.0  1.2  0.2 ! B.153  at -2.08e+06
assign (resid  17 and name HD1# ) (resid  18 and name   HN )  4.0  2.2  0.8 ! B.157  at -4.02e+05
assign (resid  17 and name HD2# ) (resid  18 and name   HN )  4.0  2.2  1.3 ! B.484  at -3.87e+05
assign (resid  17 and name   HN ) (resid  18 and name   HN )  3.0  1.2  0.5 ! C.24   at -3.69e+05
assign (resid  17 and name  HB1 ) (resid  19 and name   HN )  4.0  2.2  2.0 ! B.169  at -3.29e+05
assign (resid  17 and name  HB2 ) (resid  19 and name   HN )  4.0  2.2  1.5 ! B.486  at -3.29e+05
!!assign (resid  17 and name HD1# ) (resid  25 and name  HE2 )  4.0  2.2  2.5 ! A.163  at 5.49e+05
!!!assign (resid  17 and name  HB1 ) (resid  49 and name HD1# )  4.0  2.2  2.0 ! A.391  at 6.37e+05
!!!assign (resid  17 and name  HB1 ) (resid  49 and name HD2# )  4.0  2.2  2.5 ! A.736  at 2.91e+05

! V18
assign (resid  18 and name   HA ) (resid  18 and name   HB )  2.5  0.7  0.8 ! A.147  at -2.09e+06
assign (resid  18 and name   HA ) (resid  18 and name HG1# )  2.5  0.7  0.7 ! A.131  at 6.48e+06
assign (resid  18 and name   HA ) (resid  18 and name HG2# )  2.5  0.7  0.7 ! A.144  at 4.48e+06
assign (resid  18 and name HG1# ) (resid  18 and name   HN )  3.0  1.2  1.5 ! B.154  at 2.15e+06
assign (resid  18 and name HG2# ) (resid  18 and name   HN )  3.0  1.2  0.2 ! B.155  at 5.90e+06
assign (resid  18 and name   HA ) (resid  18 and name   HN )  2.5  0.7  0.5 ! B.150  at 2.35e+06
assign (resid  18 and name   HB ) (resid  18 and name   HN )  2.5  0.7  0.4 ! B.151  at -4.49e+06
assign (resid  18 and name HG2# ) (resid  19 and name   HA )  4.0  2.2  2.5 ! A.167  at 6.55e+05
assign (resid  18 and name HG1# ) (resid  19 and name   HN )  3.0  1.2  1.2 ! B.167  at 2.01e+06
assign (resid  18 and name HG2# ) (resid  19 and name   HN )  4.0  2.2  1.0 ! B.166  at 2.20e+06
assign (resid  18 and name   HA ) (resid  19 and name   HN )  3.0  1.2  0.5 ! B.165  at 1.27e+06
assign (resid  18 and name   HB ) (resid  19 and name   HN )  2.5  0.7  0.5 ! B.168  at -3.40e+06
assign (resid  18 and name   HN ) (resid  19 and name   HN )  2.5  0.7  0.4 ! C.26   at -2.63e+06
assign (resid  18 and name   HA ) (resid  20 and name   HN )  4.0  2.2  1.0 ! B.489  at 1.55e+05
assign (resid  18 and name   HB ) (resid  20 and name   HN )  4.0  2.2  0.5 ! B.521  at -2.53e+05
assign (resid  18 and name  HG1#) (resid  20 and name   HN )  4.0  2.2  1.8 ! B.522  at -2.35e+05
assign (resid  18 and name   HA ) (resid  49 and name HD1# )  4.0  2.2  1.3 ! A.390  at -4.95e+05
assign (resid  18 and name HG1# ) (resid  49 and name  HB# )  4.0  2.2  1.0 ! A.754  at -5.57e+05
assign (resid  18 and name HG1# ) (resid  49 and name   HA )  4.0  2.2  1.0 ! A.749  at 6.46e+05
!!assign (resid  18 and name HG1# ) (resid  49 and name HD1# )  4.0  4.2  2.5 ! A.739  at -2.21e+06
assign (resid  18 and name HG1# ) (resid  49 and name HD2# )  4.0  4.2  2.0 ! A.735  at -2.11e+06
assign (resid  18 and name HG2# ) (resid  49 and name  HB# )  4.0  2.2  0.5 ! A.305  at -6.53e+05
assign (resid  18 and name HG2# ) (resid  49 and name HD1# )  3.0  1.2  1.5 ! A.812  at -4.47e+06
assign (resid  18 and name HG2# ) (resid  49 and name HD2# )  4.0  2.2  1.8 ! A.734  at -2.31e+06
assign (resid  18 and name HG2# ) (resid  49 and name   HN )  4.0  2.2  2.0 ! B.343  at 5.13e+05
assign (resid  18 and name   HB ) (resid  52 and name  HB2 )  3.0  1.2  1.0 ! A.421  at 1.93e+06
assign (resid  18 and name   HB ) (resid  52 and name HD1# )  4.0  2.2  1.5 ! A.669  at 3.73e+05
assign (resid  18 and name HG1# ) (resid  52 and name   HA )  4.0  2.2  1.0 ! A.830  at 8.97e+05
assign (resid  18 and name HG1# ) (resid  52 and name  HB1 )  4.0  2.2  1.0 ! A.134  at -6.77e+05
assign (resid  18 and name HG1# ) (resid  52 and name  HB2 )  3.0  1.2  1.0 ! A.133  at -1.89e+06
assign (resid  18 and name HG1# ) (resid  52 and name   HG )  4.0  2.2  1.8 ! A.618  at -1.11e+06
assign (resid  18 and name HG1# ) (resid  52 and name HD1# )  4.0  2.2  1.8 ! A.398  at -2.96e+06
!!!assign (resid  18 and name HG1# ) (resid  52 and name HD2# )  4.0  2.2  2.5 ! A.451  at -1.46e+06
assign (resid  18 and name HG2# ) (resid  52 and name HD1# )  3.0  1.2  1.3 ! A.437  at -1.16e+06
assign (resid  18 and name HG2# ) (resid  52 and name HD2# )  4.0  2.2  1.8 ! A.446  at -1.13e+06
assign (resid  18 and name HG2# ) (resid  52 and name   HG )  4.0  2.2  1.5 ! A.170  at -8.94e+05
assign (resid  18 and name HG2# ) (resid  52 and name  HB1 )  3.0  1.2  0.6 ! A.141  at -9.66e+05
assign (resid  18 and name HG2# ) (resid  52 and name  HB2 )  3.0  1.2  0.5 ! A.140  at -1.37e+06
assign (resid  18 and name HG1# ) (resid  52 and name   HN )  4.0  2.2  1.8 ! B.401  at 2.21e+05
assign (resid  18 and name HG2# ) (resid  52 and name   HN )  4.0  2.2  1.5 ! B.365  at 6.28e+05
assign (resid  18 and name HG1# ) (resid  53 and name  HB1 )  4.0  2.2  1.0 ! A.617  at -5.49e+05
assign (resid  18 and name HG1# ) (resid  53 and name  HG# )  3.0  1.2  1.0 ! A.857  at -5.51e+05
assign (resid  18 and name HG1# ) (resid  53 and name   HA )  3.0  1.2  0.5 ! A.828  at 8.32e+06
assign (resid  18 and name HG2# ) (resid  53 and name   HA )  4.0  2.2  1.3 ! A.166  at 4.37e+06
assign (resid  18 and name HG2# ) (resid  53 and name  HG# )  4.0  2.2  1.8 ! A.168  at -2.68e+06
assign (resid  18 and name HG2# ) (resid  53 and name  HB2 )  4.0  2.2  1.5 ! A.138  at -2.46e+06
assign (resid  18 and name HG2# ) (resid  53 and name   HN )  4.0  2.2  1.5 ! B.373  at 2.92e+05

! C19
assign (resid  19 and name   HA ) (resid  19 and name  HB1 )  2.5  0.7  0.3 ! A.171  at -1.04e+06
assign (resid  19 and name   HA ) (resid  19 and name  HB2 )  2.5  0.7  0.6 ! A.151  at -1.64e+06
assign (resid  19 and name   HA ) (resid  19 and name   HN )  3.0  1.2  0.3 ! B.159  at -2.15e+06
assign (resid  19 and name  HB1 ) (resid  19 and name   HN )  3.0  1.2  0.5 ! B.162  at -2.29e+06
assign (resid  19 and name  HB2 ) (resid  19 and name   HN )  2.5  0.7  0.3 ! B.163  at -1.49e+06
assign (resid  19 and name   HN ) (resid  20 and name  HA2 )  4.0  2.2  1.0 ! B.172  at 5.19e+05
assign (resid  19 and name   HN ) (resid  20 and name  HA1 )  4.0  2.2  1.0 ! B.171  at 5.24e+05
assign (resid  19 and name   HA ) (resid  20 and name   HN )  3.0  1.2  1.0 ! B.173  at 5.81e+05
assign (resid  19 and name  HB1 ) (resid  20 and name   HN )  3.0  1.2  1.0 ! B.176  at -4.05e+05
assign (resid  19 and name  HB2 ) (resid  20 and name   HN )  2.5  0.7  0.9 ! B.175  at -4.04e+05
assign (resid  19 and name   HN ) (resid  20 and name   HN )  2.5  0.7  0.4 ! C.27   at -3.41e+06
assign (resid  19 and name  HB2 ) (resid  22 and name  HB2 )  3.0  1.2  1.0 ! A.175  at 4.87e+05
assign (resid  19 and name  HB1 ) (resid  22 and name  HB2 )  3.0  1.2  1.0 ! A.174  at 3.77e+05
assign (resid  19 and name   HA ) (resid  22 and name   HN )  4.0  2.2  0.5 ! B.493  at 2.80e+05
assign (resid  19 and name  HB1 ) (resid  22 and name   HN )  4.0  2.2  0.5 ! B.196  at -4.38e+05
assign (resid  19 and name  HB2 ) (resid  22 and name   HN )  4.0  2.2  1.5 ! B.197  at -2.11e+05

assign (resid  19 and name   HA ) (resid  23 and name   HN )  4.0  2.2  1.0 ! B.209  at 3.44e+05
assign (resid  19 and name  HB2 ) (resid  23 and name   HN )  3.0  1.2  0.8 ! B.206  at -2.72e+05
assign (resid  19 and name  HB1 ) (resid  23 and name   HN )  3.0  1.2  0.5 ! B.205  at -5.20e+05

assign (resid  19 and name   HA ) (resid  24 and name  HD1 )  4.0  2.2  1.2 ! A.607  at -2.61e+06
assign (resid  19 and name   HA ) (resid  24 and name  HB1 )  4.0  2.2  0.7 ! A.861  at -9.70e+05

assign (resid  19 and name  HB1 ) (resid  24 and name  HB2 )  4.0  2.2  0.3 ! A.172  at 6.56e+05
assign (resid  19 and name  HB1 ) (resid  24 and name  HD1 )  3.0  1.2  0.5 ! A.208  at 7.77e+05
assign (resid  19 and name  HB1 ) (resid  24 and name  HE1 )  4.0  2.2  1.5 ! A.814  at 6.55e+05

assign (resid  19 and name  HB2 ) (resid  24 and name  HD1 )  3.0  1.2  0.5 ! A.606  at 3.77e+05
assign (resid  19 and name  HB2 ) (resid  24 and name  HB1 )  3.0  1.2  0.5 ! A.605  at 4.64e+05
!!!assign (resid  19 and name  HB2 ) (resid  24 and name  HD2 )  4.0  2.2  2.0 ! A.176  at 5.80e+05
assign (resid  19 and name   HN ) (resid  24 and name  HD1 )  4.0  2.2  1.0 ! B.487  at 2.13e+05
assign (resid  19 and name   HA ) (resid  56 and name  HB1 )  2.5  0.7  0.7 ! A.898  at 9.70e+05
assign (resid  19 and name  HB1 ) (resid  56 and name  HB1 )  2.5  0.7  0.3 ! A.899  at 9.39e+06

! G20
assign (resid  20 and name  HA2 ) (resid  20 and name   HN )  2.5  0.7  0.4 ! B.178  at 3.94e+06
assign (resid  20 and name  HA1 ) (resid  20 and name   HN )  2.5  0.7  0.4 ! B.177  at 3.94e+06
assign (resid  20 and name  HA1 ) (resid  21 and name  HG# )  4.0  2.2  0.8 ! A.887  at -6.52e+05
assign (resid  20 and name  HA2 ) (resid  21 and name  HG# )  4.0  2.2  1.0 ! A.177  at -6.52e+05
assign (resid  20 and name  HA2 ) (resid  21 and name   HN )  3.0  1.2  0.5 ! B.182  at 1.88e+06
assign (resid  20 and name  HA1 ) (resid  21 and name   HN )  2.5  0.7  0.5 ! B.181  at 1.88e+06
assign (resid  20 and name  HA1 ) (resid  22 and name   HN )  3.0  1.2  1.0 ! B.188  at 9.15e+05
assign (resid  20 and name  HA2 ) (resid  22 and name   HN )  4.0  2.2  1.0 ! B.187  at 8.81e+05
assign (resid  20 and name  HA1 ) (resid  23 and name   HN )  4.0  2.2  1.0 ! B.497  at 2.57e+05
assign (resid  20 and name  HA2 ) (resid  23 and name   HN )  4.0  2.2  1.0 ! B.498  at 1.59e+05

! E21
assign (resid  21 and name   HA ) (resid  21 and name  HB1 )  2.5  0.7  0.3 ! A.181  at -4.47e+06
assign (resid  21 and name   HA ) (resid  21 and name  HB2 )  2.5  0.7  0.7 ! A.183  at -3.61e+06
assign (resid  21 and name   HA ) (resid  21 and name  HG# )  2.5  0.7  0.5 ! A.185  at -1.90e+06
assign (resid  21 and name   HA ) (resid  21 and name   HN )  2.5  0.7  0.5 ! B.179  at -1.41e+06
assign (resid  21 and name  HB2 ) (resid  21 and name   HN )  3.0  1.2  0.2 ! B.184  at -1.41e+06
assign (resid  21 and name  HB1 ) (resid  21 and name   HN )  3.0  1.2  0.7 ! B.183  at -1.05e+06
assign (resid  21 and name  HG# ) (resid  21 and name   HN )  2.5  0.7  0.5 ! B.180  at -1.07e+06
assign (resid  21 and name  HB1 ) (resid  22 and name   HA )  3.0  1.2  1.5 ! A.188  at -3.77e+06
assign (resid  21 and name   HA ) (resid  22 and name   HN )  3.0  1.2  0.5 ! B.186  at 4.60e+06
assign (resid  21 and name  HB2 ) (resid  22 and name   HN )  3.0  1.2  0.5 ! B.190  at -1.12e+06
assign (resid  21 and name  HG# ) (resid  22 and name   HN )  3.0  1.2  1.7 ! B.195  at -1.09e+06
assign (resid  21 and name  HB1 ) (resid  22 and name   HN )  3.0  1.2  1.2 ! B.192  at -1.59e+06
assign (resid  21 and name   HN ) (resid  22 and name   HN )  2.5  0.7  0.4 ! C.30   at -6.30e+05
assign (resid  21 and name   HA ) (resid  23 and name   HN )  3.0  1.2  0.7 ! B.201  at 8.34e+05

! R22
assign (resid  22 and name  HA ) (resid  22 and name   HB1 )  2.5  0.7  0.3 ! A.193  at 1.49e+06
assign (resid  22 and name  HA ) (resid  22 and name   HB2 )  3.0  1.2  0.3 ! A.195  at 1.18e+06
assign (resid  22 and name  HB2 ) (resid  22 and name  HD1 )  3.0  1.2  0.3 ! A.616  at 1.50e+06
assign (resid  22 and name  HB1 ) (resid  22 and name  HD1 )  3.0  1.2  0.3 ! A.615  at 1.48e+06
assign (resid  22 and name  HB1 ) (resid  22 and name  HD2 )  3.0  1.2  0.8 ! A.614  at 1.41e+06
assign (resid  22 and name  HB2 ) (resid  22 and name  HD2 )  3.0  1.2  0.8 ! A.612  at 1.41e+06
assign (resid  22 and name  HG# ) (resid  22 and name   HA )  3.0  1.2  0.8 ! A.187  at -1.93e+06
assign (resid  22 and name   HA ) (resid  22 and name   HN )  2.5  0.7  0.4 ! B.185  at 5.04e+06
assign (resid  22 and name  HD1 ) (resid  22 and name   HN )  3.0  1.2  1.0 ! B.198  at -1.20e+06
assign (resid  22 and name  HD2 ) (resid  22 and name   HN )  4.0  2.2  1.0 ! B.199  at -1.20e+06
assign (resid  22 and name  HB1 ) (resid  22 and name   HN )  3.0  1.2  1.0 ! B.194  at -2.78e+06
assign (resid  22 and name  HB2 ) (resid  22 and name   HN )  2.5  0.7  0.5 ! B.193  at -3.80e+06
assign (resid  22 and name  HG# ) (resid  22 and name   HN )  2.5  0.7  0.9 ! B.189  at -5.77e+06
assign (resid  22 and name   HN ) (resid  23 and name  HA2 )  4.0  2.2  1.0 ! B.492  at -2.88e+05
assign (resid  22 and name   HN ) (resid  23 and name  HA1 )  4.0  2.2  1.5 ! B.493  at -2.15e+05
assign (resid  22 and name   HA ) (resid  23 and name   HN )  3.0  1.2  0.6 ! B.200  at 1.35e+06
assign (resid  22 and name  HG# ) (resid  23 and name   HN )  4.0  2.2  1.0 ! B.203  at -6.29e+05
assign (resid  22 and name  HB2 ) (resid  23 and name   HN )  3.0  1.2  0.3 ! B.495  at -7.99e+05
assign (resid  22 and name  HB1 ) (resid  23 and name   HN )  3.0  1.2  1.0 ! B.202  at -6.99e+05
assign (resid  22 and name   HN ) (resid  23 and name   HN )  2.5  0.7  0.4 ! C.32   at -3.51e+06

assign (resid  22 and name  HB2 ) (resid  56 and name  HB1 )  3.0  1.2  0.3 ! A.505  at 2.69e+05
assign (resid  22 and name  HB2 ) (resid  56 and name  HB2 )  4.0  2.2  1.0 ! A.509  at 4.99e+05
assign (resid  22 and name  HD1 ) (resid  56 and name  HB2 )  3.0  1.2  1.0 ! A.153  at 1.34e+06
assign (resid  22 and name  HD1 ) (resid  56 and name  HB1 )  3.0  1.2  1.0 ! A.504  at 3.98e+05
assign (resid  22 and name  HD2 ) (resid  56 and name  HB2 )  4.0  2.2  1.0 ! A.153  at 1.25e+06

assign (resid  22 and name  HB1 ) (resid  57 and name  HB1 )  3.0  1.2  1.0 ! A.500  at 3.61e+05
assign (resid  22 and name  HB2 ) (resid  57 and name  HB1 )  4.0  2.2  1.0 ! A.816  at 4.13e+05
assign (resid  22 and name  HB1 ) (resid  57 and name  HB2 )  3.0  1.2  1.0 ! A.818  at 3.83e+05
assign (resid  22 and name  HB2 ) (resid  57 and name  HB2 )  4.0  2.2  0.5 ! A.502  at 3.84e+05

assign (resid  22 and name  HB1 ) (resid  57 and name   HN )  4.0  2.2  1.0 ! B.411  at -4.13e+05
assign (resid  22 and name  HB2 ) (resid  57 and name   HN )  4.0  2.2  1.0 ! B.412  at -4.13e+05
assign (resid  22 and name  HD1 ) (resid  57 and name   HN )  4.0  2.2  1.8 ! B.419  at -3.48e+05

! G23
assign (resid  23 and name  HA2 ) (resid  23 and name   HN )  2.5  0.7  0.4 ! B.207  at -2.64e+06
assign (resid  23 and name  HA1 ) (resid  23 and name   HN )  3.0  1.2  0.4 ! B.208  at -1.86e+06
assign (resid  23 and name  HA2 ) (resid  24 and name  HD1 )  3.0  1.2  1.0 ! A.608  at 4.89e+05
assign (resid  23 and name  HA2 ) (resid  24 and name   HN )  2.5  0.7  0.6 ! B.215  at -2.08e+06
assign (resid  23 and name  HA1 ) (resid  24 and name   HN )  2.5  0.7  0.4 ! B.214  at -1.99e+06
assign (resid  23 and name   HN ) (resid  24 and name   HN )  3.0  1.2  1.3 ! C.35   at -5.36e+05
!!assign (resid  23 and name  HA2 ) (resid  29 and name  HD# )  3.0  1.2  0.8 ! A.109  at 3.43e+06
assign (resid  23 and name  HA1 ) (resid  57 and name HD21 )  4.0  2.2  1.8 ! B.465  at -6.41e+05

! F24
assign (resid  24 and name   HA ) (resid  24 and name  HB1 )  2.5  0.7  0.3 ! A.604  at -1.10e+06
assign (resid  24 and name   HA ) (resid  24 and name  HB2 )  2.5  0.7  0.3 ! A.202  at -1.30e+06
assign (resid  24 and name  HB1 ) (resid  24 and name  HD1 )  3.0  1.2  0.3 ! A.209  at 1.39e+06
assign (resid  24 and name  HB2 ) (resid  24 and name  HD1 )  3.0  1.2  0.8 ! A.210  at 1.46e+06
assign (resid  24 and name  HD2 ) (resid  24 and name  HB1 )  3.0  1.2  0.7 ! A.201  at 1.04e+06
assign (resid  24 and name  HD2 ) (resid  24 and name  HB2 )  2.5  0.7  0.3 ! A.205  at 1.20e+06

assign (resid  24 and name   HA ) (resid  24 and name   HN )  3.0  1.2  0.2 ! B.210  at -9.75e+05
assign (resid  24 and name  HB1 ) (resid  24 and name   HN )  3.0  1.2  0.5 ! B.212  at -3.66e+05
assign (resid  24 and name  HB2 ) (resid  24 and name   HN )  3.0  1.2  1.0 ! B.213  at -4.79e+05
assign (resid  24 and name  HD1 ) (resid  24 and name   HN )  3.0  1.2  0.2 ! B.211  at -1.28e+06
assign (resid  24 and name  HD2 ) (resid  24 and name   HN )  4.0  2.2  0.5 ! B.500  at -1.25e+06

assign (resid  24 and name  HD2 ) (resid  25 and name   HA )  3.0  1.2  0.5 ! A.609  at -2.71e+06
assign (resid  24 and name   HA ) (resid  25 and name   HN )  2.5  0.7  0.2 ! B.216  at 2.55e+06
assign (resid  24 and name  HB1 ) (resid  25 and name   HN )  3.0  1.2  1.0 ! B.223  at -6.90e+05
assign (resid  24 and name  HB2 ) (resid  25 and name   HN )  2.5  0.7  0.2 ! B.222  at -1.62e+06
assign (resid  24 and name  HD2 ) (resid  25 and name   HN )  3.0  1.2  0.3 ! B.219  at -5.62e+05
assign (resid  24 and name   HN ) (resid  25 and name   HN )  3.0  1.2  1.2 ! C.36   at -4.70e+05

assign (resid  24 and name   HZ ) (resid  26 and name  HD1 )  3.0  1.2  1.2 ! A.216  at 5.89e+06
assign (resid  24 and name  HE2 ) (resid  26 and name  HD1 )  3.0  1.2  0.3 ! A.491  at 1.49e+06
assign (resid  24 and name  HD2 ) (resid  26 and name  HD1 )  3.0  1.2  1.0 ! A.489  at -1.76e+06
assign (resid  24 and name  HE2 ) (resid  26 and name  HB# )  3.0  1.2  1.2 ! A.610  at 4.20e+05
assign (resid  24 and name   HZ ) (resid  26 and name  HB# )  4.0  2.2  2.5 ! A.611  at 2.49e+05
!!assign (resid  24 and name   HZ ) (resid  26 and name  HE1 )  4.0  2.2  2.0 ! A.215  at 6.31e+05
!!assign (resid  24 and name   HN ) (resid  26 and name   HA )  4.0  2.2  2.0 ! B.394  at 3.15e+05
assign (resid  24 and name  HB2 ) (resid  56 and name   HA )  3.0  1.2  0.5 ! A.858  at -4.00e+05

assign (resid  24 and name   HA ) (resid  57 and name   HN )  2.5  0.7  0.3 ! B.410  at 1.08e+06
assign (resid  24 and name  HB1 ) (resid  57 and name   HN )  3.0  1.2  0.5 ! B.418  at -3.36e+05
assign (resid  24 and name  HB2 ) (resid  57 and name   HN )  3.0  1.2  0.5 ! B.417  at -4.49e+05

! F25
assign (resid  25 and name   HA ) (resid  25 and name  HB# )  2.5  0.7  0.3 ! A.901  at -4.18e+06
assign (resid  25 and name  HB# ) (resid  25 and name  HD1 )  3.0  1.2  0.8 ! A.222  at 2.99e+06
assign (resid  25 and name  HB# ) (resid  25 and name  HD2 )  3.0  1.2  0.8 ! A.220  at 2.99e+06
assign (resid  25 and name  HB# ) (resid  25 and name  HE1 )  4.0  2.2  1.2 ! A.603  at 5.86e+05
assign (resid  25 and name  HB# ) (resid  25 and name  HE2 )  4.0  2.2  1.2 ! A.834  at 9.42e+05
assign (resid  25 and name   HA ) (resid  25 and name   HN )  3.0  1.2  0.2 ! B.217  at 1.14e+06
assign (resid  25 and name  HB# ) (resid  25 and name   HN )  3.0  1.2  0.3 ! B.221  at -1.57e+06
assign (resid  25 and name  HD1 ) (resid  25 and name   HN )  3.0  1.2  1.0 ! B.501  at -7.16e+05
assign (resid  25 and name  HD2 ) (resid  25 and name   HN )  3.0  1.2  0.5 ! B.220  at -7.16e+05
assign (resid  25 and name  HE2 ) (resid  25 and name   HN )  4.0  2.2  0.5 ! B.396  at -2.11e+05
!!assign (resid  25 and name  HD1 ) (resid  26 and name  HD1 )  4.0  2.2  1.5 ! A.488  at 8.16e+05
!!assign (resid  25 and name  HB# ) (resid  26 and name  HD1 )  4.0  2.2  2.5 ! A.219  at 4.14e+05
assign (resid  25 and name   HA ) (resid  26 and name  HB# )  4.0  2.2  1.0 ! A.590  at -6.05e+05
assign (resid  25 and name  HD1 ) (resid  27 and name   HN )  4.0  2.2  1.0 ! B.523  at -3.69e+05
!!assign (resid  25 and name   HZ ) (resid  29 and name  HG1 )  4.0  2.2  2.0 ! A.573  at 3.57e+05
assign (resid  25 and name  HE1 ) (resid  35 and name  HD1 )  3.0  1.2  1.0 ! A.549  at 2.71e+05
assign (resid  25 and name  HE1 ) (resid  35 and name  HD2 )  3.0  1.2  1.0 ! A.549  at 2.71e+05
assign (resid  25 and name  HE1 ) (resid  35 and name  HB# )  4.0  2.2  1.3 ! A.542  at 2.72e+05

assign (resid  25 and name  HE1 ) (resid  55 and name  HD1 )  2.5  0.7  0.5 ! A.760  at 1.14e+07
assign (resid  25 and name   HZ ) (resid  55 and name  HD1 )  3.0  1.2  0.8 ! A.762  at -3.09e+06
assign (resid  25 and name   HN ) (resid  56 and name   HA )  4.0  2.2  0.5 ! B.218  at 3.00e+05
assign (resid  25 and name   HZ ) (resid  56 and name   HN )  4.0  2.2  2.0 ! B.405  at -3.80e+05

! Y26
assign (resid  26 and name   HA ) (resid  26 and name  HB# )  2.5  0.7  0.5 ! A.586  at -1.85e+06
assign (resid  26 and name  HB# ) (resid  26 and name  HD2 )  3.0  1.2  0.8 ! A.493  at 2.99e+06
assign (resid  26 and name  HB# ) (resid  26 and name  HD1 )  3.0  1.2  0.8 ! A.492  at 2.99e+06
assign (resid  26 and name  HB# ) (resid  26 and name  HE1 )  4.0  2.2  1.3 ! A.835  at 3.37e+05
assign (resid  26 and name  HB# ) (resid  26 and name  HE2 )  4.0  2.2  1.3 ! A.596  at 3.37e+05
assign (resid  26 and name  HD2 ) (resid  27 and name HG2# )  3.0  1.2  1.0 ! A.486  at -9.62e+05
assign (resid  26 and name  HB# ) (resid  27 and name HG2# )  4.0  2.2  1.5 ! A.587  at -4.72e+05
assign (resid  26 and name  HE1 ) (resid  27 and name HG2# )  4.0  2.2  1.8 ! A.866  at -4.34e+05
assign (resid  26 and name  HE2 ) (resid  27 and name HG2# )  3.0  1.2  0.3 ! A.600  at -7.79e+05

assign (resid  26 and name   HA ) (resid  27 and name   HN )  2.5  0.7  0.5 ! B.225  at 1.33e+06
assign (resid  26 and name  HB# ) (resid  27 and name   HN )  3.0  1.2  0.8 ! B.227  at -7.78e+05
assign (resid  26 and name  HD1 ) (resid  27 and name   HN )  3.0  1.2  1.0 ! B.524  at -2.52e+05
assign (resid  26 and name  HD2 ) (resid  27 and name   HN )  3.0  1.2  0.3 ! B.525  at -2.52e+05
!!assign (resid  26 and name  HE1 ) (resid  29 and name  HG1 )  4.0  2.2  2.0 ! A.574  at 2.72e+05
assign (resid  26 and name  HE2 ) (resid  34 and name  HG1 )  4.0  2.2  2.0 ! A.598  at 5.23e+05

assign (resid  26 and name  HD2 ) (resid  38 and name HG2# )  4.0  2.2  2.0 ! A.820  at -8.60e+05
assign (resid  26 and name  HD1 ) (resid  38 and name HG2# )  4.0  2.2  1.7 ! A.594  at -8.60e+05
assign (resid  26 and name   HA ) (resid  38 and name HG2# )  4.0  2.2  1.5 ! A.227  at 6.05e+05
assign (resid  26 and name  HE1 ) (resid  38 and name HG2# )  4.0  2.2  1.0 ! A.680  at -8.03e+05

assign (resid  26 and name  HD1 ) (resid  38 and name HD1# )  4.0  2.2  3.5 ! A.315  at -4.62e+05
assign (resid  26 and name  HE2 ) (resid  39 and name HG2# )  3.0  1.2  1.0 ! A.333  at -6.97e+05
assign (resid  26 and name  HD2 ) (resid  39 and name HG2# )  4.0  2.2  1.5 ! A.801  at -6.97e+05
!assign (resid  26 and name  HD1 ) (resid  55 and name  HE1 )  4.0  2.2  2.0 ! A.475  at 6.98e+05

! T27
assign (resid  27 and name   HA ) (resid  27 and name  HB1 )  2.5  0.7  0.5 ! A.902  at -2.86e+06
assign (resid  27 and name   HA ) (resid  27 and name HG2# )  3.0  1.2  0.8 ! A.494  at 3.55e+06
assign (resid  27 and name HG2# ) (resid  27 and name   HN )  2.5  0.7  0.5 ! B.228  at 1.20e+06
assign (resid  27 and name   HA ) (resid  27 and name   HN )  3.0  1.2  0.2 ! B.226  at 8.33e+05
assign (resid  27 and name   HB ) (resid  27 and name   HN )  2.5  0.7  0.5 ! B.224  at -1.26e+06
assign (resid  27 and name   HA ) (resid  28 and name  HB1 )  4.0  2.2  2.0 ! A.655  at -3.42e+05
assign (resid  27 and name HG2# ) (resid  28 and name   HN )  4.0  2.2  0.5 ! B.232  at 6.64e+05
assign (resid  27 and name   HA ) (resid  28 and name   HN )  2.5  0.7  0.5 ! B.229  at 1.88e+06
assign (resid  27 and name   HB ) (resid  28 and name   HN )  3.0  1.2  1.0 ! B.230  at -5.61e+05
!!assign (resid  27 and name HG2# ) (resid  32 and name  HA2 )  4.0  2.2  1.5 ! A.496  at -7.98e+05
assign (resid  27 and name HG2# ) (resid  31 and name  HA# )  4.0  2.2  2.3 ! A.495  at -7.98e+05

assign (resid  27 and name HG2# ) (resid  33 and name   HN )  4.0  2.2  3.6 ! B.262  at 5.13e+05

assign (resid  27 and name HG2# ) (resid  34 and name   HA )  4.0  2.2  1.7 ! A.584  at 3.74e+05
assign (resid  27 and name HG2# ) (resid  35 and name   HA )  4.0  2.2  2.5 ! A.585  at 2.84e+05
assign (resid  27 and name   HA ) (resid  35 and name   HN )  4.0  2.2  0.5 ! B.268  at 6.35e+05
assign (resid  27 and name   HB ) (resid  35 and name   HN )  4.0  2.2  0.5 ! B.555  at -2.36e+05
assign (resid  27 and name HG2# ) (resid  35 and name   HN )  4.0  2.2  1.0 ! B.272  at 2.75e+05

! D28
assign (resid  28 and name   HA ) (resid  28 and name  HB1 )  2.5  0.7  0.7 ! A.579  at -1.73e+06
assign (resid  28 and name   HA ) (resid  28 and name  HB2 )  2.5  0.7  0.7 ! A.577  at -1.79e+06
assign (resid  28 and name   HA ) (resid  28 and name   HN )  2.5  0.7  0.5 ! B.231  at -2.08e+06
assign (resid  28 and name  HB2 ) (resid  28 and name   HN )  2.5  0.7  0.5 ! B.234  at -1.19e+06
assign (resid  28 and name  HB1 ) (resid  28 and name   HN )  3.0  1.2  0.5 ! B.233  at -1.09e+06
assign (resid  28 and name  HB1 ) (resid  29 and name  HD# )  3.0  1.2  0.5 ! A.580  at -1.14e+06
assign (resid  28 and name  HB2 ) (resid  29 and name  HD# )  3.0  1.2  1.5 ! A.576  at -1.04e+06
assign (resid  28 and name   HA ) (resid  30 and name   HN )  4.0  2.2  0.5 ! B.247  at 4.04e+05
assign (resid  28 and name  HB2 ) (resid  30 and name   HN )  4.0  2.2  1.0 ! B.246  at -4.76e+05
assign (resid  28 and name  HB1 ) (resid  30 and name   HN )  4.0  2.2  1.0 ! B.245  at -5.49e+05
assign (resid  28 and name  HB1 ) (resid  31 and name   HN )  4.0  2.2  1.0 ! B.253  at -3.12e+05
assign (resid  28 and name  HB1 ) (resid  32 and name   HN )  4.0  2.2  2.0 ! B.254  at -3.23e+05
!!assign (resid  28 and name  HB1 ) (resid  33 and name   HN )  4.0  2.2  2.5 ! B.261  at -2.99e+05
assign (resid  28 and name  HB1 ) (resid  35 and name   HA )  4.0  2.2  2.0 ! A.581  at -4.26e+05
assign (resid  28 and name  HB2 ) (resid  35 and name  HB# )  4.0  2.2  0.5 ! A.656  at 3.36e+05
assign (resid  28 and name  HB2 ) (resid  35 and name   HA )  4.0  2.2  0.5 ! A.578  at -5.58e+05

! P29
assign (resid  29 and name   HA ) (resid  29 and name  HB1 )  2.5  0.7  0.3 ! A.567  at -4.21e+06
assign (resid  29 and name   HA ) (resid  29 and name  HB2 )  3.0  1.2  0.2 ! A.569  at -2.37e+06
assign (resid  29 and name  HD# ) (resid  29 and name  HB1 )  3.0  1.2  0.8 ! A.565  at -1.70e+06
assign (resid  29 and name  HD# ) (resid  29 and name  HB2 )  3.0  1.2  0.8 ! A.570  at -2.10e+06
assign (resid  29 and name   HA ) (resid  29 and name  HG1 )  3.0  1.2  1.0 ! A.572  at -1.15e+06
assign (resid  29 and name  HB2 ) (resid  30 and name HG2# )  4.0  2.2  1.8 ! A.559  at -6.92e+05
assign (resid  29 and name  HG1 ) (resid  30 and name HG2# )  4.0  2.2  1.8 ! A.558  at -1.12e+06
!!assign (resid  29 and name  HB1 ) (resid  30 and name   HA )  3.0  1.2  0.3 ! A.564  at -1.21e+06
assign (resid  29 and name   HA ) (resid  30 and name   HN )  3.0  1.2  0.5 ! B.236  at 3.00e+06
assign (resid  29 and name  HB1 ) (resid  30 and name   HN )  4.0  2.2  1.0 ! B.243  at -5.35e+05
assign (resid  29 and name  HB2 ) (resid  30 and name   HN )  4.0  2.2  0.5 ! B.244  at -9.89e+05
assign (resid  29 and name  HG1 ) (resid  30 and name   HN )  3.0  1.2  1.5 ! B.241  at -1.45e+06
assign (resid  29 and name  HG2 ) (resid  30 and name   HN )  3.0  1.2  0.5 ! B.527  at -1.45e+06
assign (resid  29 and name  HD# ) (resid  30 and name   HN )  3.0  1.2  1.0 ! B.239  at 2.52e+06

! T30
assign (resid  30 and name   HA ) (resid  30 and name HG2# )  2.5  0.7  0.7 ! A.557  at 7.23e+06
assign (resid  30 and name   HA ) (resid  30 and name   HN )  3.0  1.2  0.2 ! B.235  at 3.00e+06
assign (resid  30 and name   HB ) (resid  30 and name   HN )  3.0  1.2  0.6 ! B.238  at -2.04e+06
assign (resid  30 and name HG2# ) (resid  30 and name   HN )  2.5  0.7  0.9 ! B.237  at 4.37e+06
assign (resid  30 and name HG2# ) (resid  31 and name   HN )  4.0  2.2  2.5 ! B.252  at 5.18e+05
assign (resid  30 and name   HA ) (resid  31 and name   HN )  3.0  1.2  0.5 ! B.249  at 2.01e+06
assign (resid  30 and name   HB ) (resid  31 and name   HN )  4.0  2.2  1.0 ! B.250  at -8.09e+05
!!assign (resid  30 and name   HN ) (resid  34 and name  HG# )  3.0  1.2  1.0 ! B.242  at -1.45e+06
assign (resid  30 and name   HN ) (resid  35 and name   HN )  4.0  2.2  1.8 ! C.39   at -8.03e+05

! G31
assign (resid  31 and name  HA# ) (resid  31 and name   HN )  2.5  0.7  0.9 ! B.248  at -4.71e+06
assign (resid  31 and name  HA# ) (resid  32 and name   HN )  2.5  0.7  0.9 ! B.256  at -6.74e+06

! G32
assign (resid  32 and name  HA1 ) (resid  33 and name   HN )  3.0  1.2  0.4 ! B.266  at -5.25e+06
assign (resid  32 and name  HA2 ) (resid  33 and name   HN )  3.0  1.2  0.4 ! B.265  at -4.36e+06
assign (resid  32 and name  HA2 ) (resid  34 and name  HD# )  3.0  1.2  1.2 ! A.880  at -1.86e+06

! G33
assign (resid  33 and name  HA# ) (resid  34 and name  HD# )  2.5  0.7  0.6 ! A.528  at -1.45e+07
assign (resid  33 and name   HN ) (resid  34 and name   HA )  4.0  2.2  2.0 ! B.263  at 3.07e+05
assign (resid  33 and name   HN ) (resid  34 and name  HD# )  3.0  1.2  1.0 ! B.259  at 1.12e+06

! P34
assign (resid  34 and name   HA ) (resid  34 and name  HB1 )  2.5  0.7  0.3 ! A.510  at -1.58e+06
assign (resid  34 and name   HA ) (resid  34 and name  HB2 )  2.5  0.7  0.5 ! A.514  at -1.20e+06
assign (resid  34 and name  HD# ) (resid  34 and name  HB1 )  4.0  2.2  1.5 ! A.511  at -7.84e+05
assign (resid  34 and name  HD# ) (resid  34 and name  HB2 )  3.0  1.2  0.8 ! A.515  at -1.24e+06
assign (resid  34 and name   HA ) (resid  34 and name  HG1 )  3.0  1.2  1.0 ! A.518  at -2.00e+06
assign (resid  34 and name   HA ) (resid  34 and name  HG2 )  4.0  2.2  2.0 ! A.521  at -5.06e+05
assign (resid  34 and name  HG2 ) (resid  35 and name  HB# )  4.0  2.2  2.0 ! A.522  at -1.27e+06
assign (resid  34 and name  HD# ) (resid  35 and name   HN )  4.0  2.2  1.5 ! B.274  at 4.72e+05
assign (resid  34 and name   HA ) (resid  35 and name   HN )  2.5  0.7  0.5 ! B.269  at 4.63e+06
assign (resid  34 and name  HG2 ) (resid  35 and name   HN )  4.0  2.2  0.5 ! B.278  at -5.19e+05
assign (resid  34 and name  HB1 ) (resid  35 and name   HN )  3.0  1.2  1.0 ! B.275  at -5.47e+05
assign (resid  34 and name  HB2 ) (resid  35 and name   HN )  3.0  1.2  0.5 ! B.276  at -6.40e+05
!!assign (resid  34 and name  HB1 ) (resid  38 and name HG2# )  4.0  2.2  2.5 ! A.242  at -4.78e+05
assign (resid  34 and name  HB2 ) (resid  38 and name HG2# )  4.0  2.2  2.3 ! A.243  at -3.71e+05
assign (resid  34 and name  HB2 ) (resid  39 and name HG2# )  4.0  2.2  2.0 ! A.512  at -6.76e+05
assign (resid  34 and name  HD# ) (resid  39 and name HG2# )  4.0  2.2  3.0 ! A.529  at 5.60e+05
assign (resid  34 and name  HG1 ) (resid  39 and name HG2# )  4.0  2.2  1.5 ! A.523  at -5.74e+05
assign (resid  34 and name  HG2 ) (resid  39 and name HG2# )  4.0  2.2  0.5 ! A.519  at -5.31e+05
!!assign (resid  34 and name  HB2 ) (resid  40 and name   HA )  4.0  2.2  2.0 ! A.517  at 2.41e+05

! R35
assign (resid  35 and name   HA ) (resid  35 and name  HB# )  2.5  0.7  0.3 ! A.531  at -3.68e+06
assign (resid  35 and name  HB# ) (resid  35 and name  HD2 )  3.0  1.2  0.8 ! A.547  at 1.44e+06
assign (resid  35 and name  HB# ) (resid  35 and name  HD1 )  3.0  1.2  1.3 ! A.539  at 1.77e+06
assign (resid  35 and name   HA ) (resid  35 and name  HG# )  3.0  1.2  0.8 ! A.537  at -1.21e+06
assign (resid  35 and name  HD2 ) (resid  35 and name   HN )  4.0  2.2  1.0 ! B.271  at -6.08e+05
assign (resid  35 and name  HD1 ) (resid  35 and name   HN )  4.0  2.2  1.5 ! B.270  at -6.08e+05
assign (resid  35 and name  HB# ) (resid  35 and name   HN )  3.0  1.2  0.5 ! B.277  at -3.21e+06
assign (resid  35 and name  HG# ) (resid  35 and name   HN )  3.0  1.2  1.5 ! B.279  at -2.91e+06
assign (resid  35 and name   HA ) (resid  36 and name  HG1 )  3.0  1.2  1.0 ! A.544  at -1.20e+06
assign (resid  35 and name   HA ) (resid  36 and name   HN )  3.0  1.2  0.2 ! B.289  at 3.86e+06
assign (resid  35 and name  HG# ) (resid  36 and name   HN )  3.0  1.2  1.5 ! B.286  at -1.93e+06
assign (resid  35 and name  HB# ) (resid  36 and name   HN )  3.0  1.2  1.5 ! B.288  at -3.53e+06
assign (resid  35 and name  HG# ) (resid  37 and name   HN )  3.0  1.2  1.0 ! B.538  at -4.52e+05

assign (resid  35 and name  HD1 ) (resid  38 and name HG2# )  4.0  2.2  1.5 ! A.244  at -2.66e+05
assign (resid  35 and name  HG# ) (resid  38 and name HG2# )  4.0  2.2  2.8 ! A.237  at -7.53e+05
!!!!assign (resid  35 and name  HB# ) (resid  38 and name HD1# )  4.0  2.2  3.0 ! A.646  at -2.94e+05
assign (resid  35 and name  HD1 ) (resid  38 and name HD1# )  4.0  2.2  2.5 ! A.317  at -3.91e+05
assign (resid  35 and name  HB# ) (resid  38 and name HG2# )  4.0  2.2  1.2 ! A.536  at -5.69e+05

assign (resid  35 and name   HN ) (resid  38 and name HG2# )  4.0  2.2  2.0 ! B.273  at 6.15e+05
assign (resid  35 and name  HB# ) (resid  55 and name  HE1 )  4.0  2.2  1.5 ! A.541  at 3.73e+05
assign (resid  35 and name  HG# ) (resid  55 and name  HE1 )  4.0  2.2  0.8 ! A.847  at 3.63e+05
assign (resid  35 and name  HD2 ) (resid  55 and name  HD1 )  4.0  2.2  0.5 ! A.867  at 3.36e+05

! R36
assign (resid  36 and name   HA ) (resid  36 and name  HB# )  2.5  0.7  0.3 ! A.550  at -2.53e+06
assign (resid  36 and name  HD# ) (resid  36 and name  HB# )  3.0  1.2  1.3 ! A.552  at 3.46e+06
assign (resid  36 and name   HA ) (resid  36 and name  HG2 )  3.0  1.2  1.2 ! A.554  at -1.03e+06
assign (resid  36 and name   HA ) (resid  36 and name  HG1 )  3.0  1.2  0.5 ! A.553  at -1.10e+06
assign (resid  36 and name   HA ) (resid  36 and name   HN )  3.0  1.2  0.2 ! B.290  at 1.52e+06
assign (resid  36 and name  HG1 ) (resid  36 and name   HN )  3.0  1.2  0.3 ! B.285  at -1.93e+06
assign (resid  36 and name  HG2 ) (resid  36 and name   HN )  3.0  1.2  0.3 ! B.284  at -1.93e+06
assign (resid  36 and name  HB# ) (resid  36 and name   HN )  3.0  1.2  0.5 ! B.287  at -3.90e+06
assign (resid  36 and name  HD# ) (resid  36 and name   HN )  4.0  2.2  1.0 ! B.291  at -3.55e+05
assign (resid  36 and name  HB# ) (resid  37 and name  HA2 )  4.0  2.2  2.5 ! A.532  at 5.98e+05

assign (resid  36 and name   HA ) (resid  37 and name   HN )  3.0  1.2  0.5 ! B.294  at 1.36e+06
assign (resid  36 and name  HG1 ) (resid  37 and name   HN )  3.0  1.2  1.0 ! B.292  at -4.52e+05
assign (resid  36 and name  HG2 ) (resid  37 and name   HN )  4.0  2.2  1.0 ! B.528  at -4.52e+05
assign (resid  36 and name  HB# ) (resid  37 and name   HN )  4.0  2.2  0.5 ! B.293  at -7.47e+05
assign (resid  36 and name   HN ) (resid  37 and name   HN )  3.0  1.2  0.5 ! C.40   at -3.08e+05
assign (resid  36 and name   HA ) (resid  39 and name HG2# )  4.0  2.2  0.5 ! A.334  at 4.32e+05
assign (resid  36 and name   HA ) (resid  39 and name   HB )  4.0  2.2  2.0 ! A.654  at -2.05e+05

! G37
assign (resid  37 and name  HA1 ) (resid  37 and name   HN )  2.5  0.7  0.5 ! B.297  at 1.28e+06
assign (resid  37 and name  HA2 ) (resid  37 and name   HN )  2.5  0.7  0.7 ! B.298  at 1.28e+06
assign (resid  37 and name  HA1 ) (resid  38 and name   HN )  3.0  1.2  1.0 ! B.553  at 2.84e+06
assign (resid  37 and name  HA2 ) (resid  38 and name   HN )  3.0  1.2  1.0 ! B.552  at 2.84e+05
assign (resid  37 and name   HN ) (resid  40 and name  HB# )  4.0  2.2  2.8 ! B.299  at -2.67e+05
assign (resid  37 and name  HA1 ) (resid  41 and name  HB2 )  4.0  2.2  0.5 ! A.844  at -7.10e+05
assign (resid  37 and name  HA2 ) (resid  41 and name  HB2 )  3.0  1.2  0.6 ! A.843  at -7.11e+05

! I38
assign (resid  38 and name   HA ) (resid  38 and name HG2# )  3.0  1.2  0.7 ! A.228  at 4.86e+05
assign (resid  38 and name   HA ) (resid  38 and name HD1# )  3.0  1.2  0.5 ! A.313  at 5.93e+05
assign (resid  38 and name HG2# ) (resid  38 and name   HN )  3.0  1.2  1.0 ! B.554  at 6.77e+05
assign (resid  38 and name HG2# ) (resid  39 and name   HB )  4.0  2.2  1.0 ! A.840  at -2.58e+05
assign (resid  38 and name HG2# ) (resid  39 and name HG2# )  3.0  1.2  1.3 ! A.335  at 2.61e+06
assign (resid  38 and name HG2# ) (resid  39 and name HG1# )  4.0  2.2  1.5 ! A.233  at 1.13e+06
assign (resid  38 and name   HA ) (resid  39 and name   HN )  3.0  1.2  1.0 ! B.306  at 3.48e+05
assign (resid  38 and name HG2# ) (resid  39 and name   HN )  3.0  1.2  0.5 ! B.300  at 1.86e+06
assign (resid  38 and name HD1# ) (resid  41 and name  HB1 )  4.0  2.2  0.5 ! A.795  at 3.80e+05
assign (resid  38 and name HD1# ) (resid  41 and name  HB2 )  4.0  2.2  1.8 ! A.796  at 3.76e+05
assign (resid  38 and name HD1# ) (resid  42 and name   HA )  4.0  2.2  2.5 ! A.794  at 2.74e+05

assign (resid  38 and name HD1# ) (resid  42 and name  HB1 )  4.0  2.2  1.3 ! A.837  at -2.45e+05
assign (resid  38 and name HD1# ) (resid  42 and name  HB2 )  3.0  1.2  1.2 ! A.836  at -3.05e+05

assign (resid  38 and name HD1# ) (resid  51 and name  HB2 )  4.0  2.2  1.5 ! A.797  at 3.76e+05

!!!assign (resid  38 and name HG2# ) (resid  52 and name HD2# )  4.0  2.2  2.0 ! A.442  at -9.88e+05
assign (resid  38 and name HD1# ) (resid  52 and name   HA )  4.0  2.2  0.5 ! A.651  at 2.75e+05
assign (resid  38 and name HD1# ) (resid  52 and name   HG )  4.0  2.2  1.0 ! A.645  at -3.19e+05
!!!assign (resid  38 and name HG2# ) (resid  52 and name HD1# )  4.0  2.2  1.0 ! A.402  at -8.52e+05
assign (resid  38 and name HG12 ) (resid  52 and name HD2# )  4.0  2.2  1.0 ! A.454  at 1.74e+06
assign (resid  38 and name HD1# ) (resid  52 and name HD2# )  3.0  1.2  1.0 ! A.808  at -6.88e+05

assign (resid  38 and name HG2# ) (resid  55 and name  HD1 )  4.0  2.2  2.0 ! A.226  at -2.99e+05
assign (resid  38 and name HG2# ) (resid  55 and name  HE1 )  4.0  2.2  2.0 ! A.793  at -8.05e+05
!!assign (resid  38 and name HG2# ) (resid  55 and name  HE2 )  4.0  2.2  2.5 ! A.678  at -8.02e+05

assign (resid  38 and name HD1# ) (resid  55 and name  HB1 )  4.0  2.2  2.0 ! A.647  at -3.05e+05
assign (resid  38 and name HD1# ) (resid  55 and name  HB2 )  4.0  2.2  1.2 ! A.648  at -2.45e+05
assign (resid  38 and name HD1# ) (resid  55 and name  HD1 )  4.0  2.2  2.0 ! A.469  at -9.03e+05
assign (resid  38 and name HD1# ) (resid  55 and name  HD2 )  4.0  2.2  0.3 ! A.798  at -9.71e+05
assign (resid  38 and name HD1# ) (resid  55 and name  HE1 )  4.0  2.2  1.8 ! A.484  at -7.88e+05
assign (resid  38 and name HD1# ) (resid  55 and name  HE2 )  3.0  1.2  1.0 ! A.838  at -7.88e+05

assign (resid  38 and name   HA ) (resid  55 and name  HE1 )  4.0  2.2  0.3 ! A.839  at -4.07e+05
assign (resid  38 and name   HA ) (resid  55 and name  HE2 )  3.0  1.2  1.0 ! A.485  at -4.07e+05

! V39
assign (resid  39 and name   HA ) (resid  39 and name   HB )  3.0  1.2  0.3 ! A.325  at 3.80e+06
assign (resid  39 and name   HA ) (resid  39 and name HG2# )  3.0  1.2  0.8 ! A.330  at 2.06e+06
assign (resid  39 and name   HA ) (resid  39 and name HG1# )  4.0  2.2  1.5 ! A.329  at 8.23e+05
assign (resid  39 and name HG2# ) (resid  39 and name   HN )  3.0  1.2  0.5 ! B.301  at 2.83e+06
assign (resid  39 and name HG1# ) (resid  39 and name   HN )  4.0  2.2  1.0 ! B.303  at 7.15e+05
assign (resid  39 and name   HB ) (resid  39 and name   HN )  3.0  1.2  0.5 ! B.302  at -2.53e+06
assign (resid  39 and name HG2# ) (resid  40 and name  HG1 )  4.0  2.2  2.5 ! A.620  at -5.51e+05
assign (resid  39 and name HG1# ) (resid  43 and name  HB1 )  3.0  1.2  0.8 ! A.328  at -1.02e+06
assign (resid  39 and name HG1# ) (resid  43 and name  HB2 )  4.0  2.2  1.5 ! A.327  at -7.10e+05
assign (resid  39 and name HG1# ) (resid  43 and name   HN )  4.0  2.2  1.0 ! B.530  at 3.39e+05

! E40
assign (resid  40 and name   HA ) (resid  40 and name  HB# )  2.5  0.7  0.5 ! A.903  at -4.01e+06
assign (resid  40 and name  HG2 ) (resid  40 and name   HA )  4.0  2.2  1.0 ! A.337  at -7.80e+05
assign (resid  40 and name   HA ) (resid  40 and name  HG1 )  3.0  1.2  0.5 ! A.340  at -1.19e+06
assign (resid  40 and name  HB# ) (resid  43 and name   HN )  4.0  2.2  1.2 ! B.529  at -4.17e+05
assign (resid  40 and name   HA ) (resid  44 and name  HB1 )  3.0  1.2  1.0 ! A.890  at -6.16e+05
assign (resid  40 and name   HA ) (resid  44 and name  HB2 )  4.0  2.2  2.0 ! A.352  at -6.21e+05

! Q41
assign (resid  41 and name   HA ) (resid  41 and name  HB1 )  3.0  1.2  0.3 ! A.346  at -4.07e+06
assign (resid  41 and name   HA ) (resid  41 and name  HB2 )  2.5  0.7  0.3 ! A.348  at -4.07e+06
assign (resid  41 and name   HA ) (resid  41 and name  HG1 )  3.0  1.2  0.3 ! A.342  at -2.19e+06
assign (resid  41 and name   HA ) (resid  41 and name  HG2 )  3.0  1.2  1.0 ! A.888  at -8.93e+05
assign (resid  41 and name  HB1 ) (resid  41 and name HE21 )  4.0  2.2  2.0 ! B.442  at -5.94e+05
assign (resid  41 and name  HB2 ) (resid  41 and name HE21 )  4.0  2.2  2.0 ! B.443  at -5.94e+05
assign (resid  41 and name  HG2 ) (resid  41 and name HE21 )  3.0  1.2  0.3 ! B.444  at -2.10e+06
assign (resid  41 and name  HG1 ) (resid  41 and name HE21 )  3.0  1.2  0.3 ! B.445  at -2.86e+06
assign (resid  41 and name   HA ) (resid  41 and name HE22 )  4.0  2.2  2.2 ! B.441  at 3.33e+05
assign (resid  41 and name  HB2 ) (resid  41 and name HE22 )  4.0  2.2  2.0 ! B.440  at -3.82e+05
assign (resid  41 and name  HG1 ) (resid  41 and name HE22 )  3.0  1.2  0.5 ! B.437  at -1.95e+06
assign (resid  41 and name  HG2 ) (resid  41 and name HE22 )  3.0  1.2  0.8 ! B.439  at -1.95e+06
assign (resid  41 and name   HA ) (resid  45 and name  HB2 )  4.0  2.2  1.0 ! A.344  at 7.30e+05
assign (resid  41 and name  HB1 ) (resid  55 and name  HE2 )  4.0  2.2  1.0 ! A.480  at 8.09e+05

! C42
assign (resid  42 and name   HA ) (resid  42 and name  HB1 )  2.5  0.7  0.5 ! A.892  at -4.29e+06
assign (resid  42 and name   HA ) (resid  42 and name  HB2 )  2.5  0.7  0.6 ! A.464  at -1.03e+06

! C43
assign (resid  43 and name   HA ) (resid  43 and name  HB1 )  2.5  0.7  0.6 ! A.904  at -1.59e+06
assign (resid  43 and name   HA ) (resid  43 and name  HB2 )  2.5  0.7  0.6 ! A.906  at -1.35e+06
assign (resid  43 and name   HA ) (resid  43 and name   HN )  3.0  1.2  0.5 ! B.280  at -7.36e+05
assign (resid  43 and name  HB1 ) (resid  43 and name   HN )  3.0  1.2  0.5 ! B.281  at -1.01e+06
assign (resid  43 and name  HB2 ) (resid  43 and name   HN )  4.0  2.2  2.0 ! B.282  at -5.84e+05
assign (resid  43 and name   HN ) (resid  45 and name   HN )  3.0  1.2  0.4 ! C.41   at -4.82e+05

! H44
assign (resid  44 and name   HA ) (resid  44 and name  HB1 )  3.0  1.2  0.5 ! A.351  at -1.46e+06
assign (resid  44 and name   HA ) (resid  44 and name  HB2 )  3.0  1.2  0.2 ! A.353  at -1.85e+06
assign (resid  44 and name   HA ) (resid  44 and name  HD2 )  3.0  1.2  1.0 ! A.705  at -6.96e+05
assign (resid  44 and name   HA ) (resid  45 and name   HN )  4.0  2.2  1.0 ! B.307  at 2.71e+05
assign (resid  44 and name  HB1 ) (resid  44 and name  HD2 )  3.0  1.2  0.5 ! A.889  at 5.67e+05
assign (resid  44 and name  HB2 ) (resid  44 and name  HD2 )  3.0  1.2  1.0 ! A.891  at 5.17e+05
assign (resid  44 and name  HB2 ) (resid  45 and name   HN )  4.0  2.2  1.0 ! B.312  at -7.52e+05
assign (resid  44 and name  HB1 ) (resid  45 and name   HN )  4.0  2.2  1.0 ! B.309  at -7.52e+05

! S45
assign (resid  45 and name   HA ) (resid  45 and name   HN )  3.0  1.2  0.5 ! B.308  at 4.39e+05
assign (resid  45 and name  HB2 ) (resid  45 and name   HN )  3.0  1.2  1.0 ! B.311  at 7.56e+05
assign (resid  45 and name  HB1 ) (resid  45 and name   HN )  3.0  1.2  1.0 ! B.310  at 4.70e+05
assign (resid  45 and name   HA ) (resid  46 and name   HN )  3.0  1.2  0.2 ! B.326  at 1.53e+06
assign (resid  45 and name  HB1 ) (resid  46 and name   HN )  3.0  1.2  0.5 ! B.328  at 3.03e+06
assign (resid  45 and name  HB2 ) (resid  46 and name   HN )  3.0  1.2  0.5 ! B.329  at 3.03e+06

! I46
assign (resid  46 and name HD1# ) (resid  46 and name   HB )  3.0  1.2  0.8 ! A.355  at -1.59e+06
assign (resid  46 and name   HA ) (resid  46 and name HG2# )  3.0  1.2  0.2 ! A.371  at 2.48e+06
assign (resid  46 and name   HA ) (resid  46 and name HD1# )  3.0  1.2  0.7 ! A.376  at 5.73e+05
assign (resid  46 and name   HA ) (resid  46 and name   HB )  3.0  1.2  0.5 ! A.354  at -5.64e+05
assign (resid  46 and name   HA ) (resid  46 and name HG11 )  3.0  1.2  1.0 ! A.358  at -4.14e+05
assign (resid  46 and name   HA ) (resid  46 and name HG12 )  3.0  1.2  1.0 ! A.363  at -3.21e+05
assign (resid  46 and name HD1# ) (resid  46 and name   HN )  4.0  2.2  0.5 ! B.332  at 6.82e+05
assign (resid  46 and name HG2# ) (resid  46 and name   HN )  3.0  1.2  1.3 ! B.331  at 1.23e+06
assign (resid  46 and name HG11 ) (resid  46 and name   HN )  3.0  1.2  0.5 ! B.333  at -1.07e+06
assign (resid  46 and name HG12 ) (resid  46 and name   HN )  3.0  1.2  1.0 ! B.334  at -4.96e+05
assign (resid  46 and name   HB ) (resid  46 and name   HN )  2.5  0.7  0.4 ! B.330  at -2.94e+06
assign (resid  46 and name   HA ) (resid  46 and name   HN )  3.0  1.2  0.5 ! B.327  at 6.06e+05 

! C47

! S48
assign (resid  48 and name  HB1 ) (resid  49 and name   HN )  3.0  1.2  0.5 ! B.338  at 1.64e+06
assign (resid  48 and name   HA ) (resid  49 and name   HN )  2.5  0.7  0.4 ! B.335  at 4.96e+06
assign (resid  48 and name  HB2 ) (resid  49 and name   HN )  2.5  0.7  0.5 ! B.337  at 2.57e+06
assign (resid  48 and name  HB2 ) (resid  50 and name   HN )  2.5  0.7  0.5 ! B.323  at 1.47e+06
assign (resid  48 and name  HB1 ) (resid  50 and name   HN )  4.0  2.2  0.5 ! B.324  at 9.17e+05
assign (resid  48 and name   HA ) (resid  50 and name   HN )  4.0  2.2  0.5 ! B.317  at 5.43e+05
assign (resid  48 and name  HB2 ) (resid  51 and name   HN )  3.0  1.2  1.0 ! B.349  at 5.62e+05
assign (resid  48 and name  HB1 ) (resid  51 and name   HN )  4.0  2.2  1.0 ! B.348  at 6.88e+05

! L49
assign (resid  49 and name   HA ) (resid  49 and name  HB# )  2.5  0.7  0.2 ! A.380  at -3.87e+06
assign (resid  49 and name HD1# ) (resid  49 and name  HB# )  2.5  0.7  1.2 ! A.752  at 5.00e+06
assign (resid  49 and name HD2# ) (resid  49 and name  HB# )  2.5  0.7  1.2 ! A.386  at 4.86e+06
assign (resid  49 and name HD2# ) (resid  49 and name   HA )  3.0  1.2  0.8 ! A.744  at -2.68e+06
assign (resid  49 and name HD1# ) (resid  49 and name   HA )  3.0  1.2  1.5 ! A.747  at -2.68e+06
assign (resid  49 and name   HG ) (resid  49 and name   HA )  3.0  1.2  0.3 ! A.743  at -1.06e+06

assign (resid  49 and name   HA ) (resid  49 and name   HN )  2.5  0.7  0.5 ! B.335  at 4.96e+06
assign (resid  49 and name  HB# ) (resid  49 and name   HN )  2.5  0.7  0.9 ! B.339  at -7.24e+06
assign (resid  49 and name HD1# ) (resid  49 and name   HN )  3.0  1.2  1.5 ! B.342  at -1.36e+06
assign (resid  49 and name HD2# ) (resid  49 and name   HN )  3.0  1.2  1.0 ! B.531  at -1.36e+06
assign (resid  49 and name   HG ) (resid  49 and name   HN )  2.5  0.7  0.5 ! B.341  at -2.36e+06

assign (resid  49 and name  HB# ) (resid  50 and name  HB2 )  4.0  2.2  1.0 ! A.751  at 4.15e+05
assign (resid  49 and name  HB# ) (resid  50 and name   HA )  4.0  2.2  1.0 ! A.750  at -3.23e+05

assign (resid  49 and name   HA ) (resid  50 and name   HN )  3.0  1.2  0.5 ! B.318  at 1.15e+06
assign (resid  49 and name HD1# ) (resid  50 and name   HN )  4.0  2.2  1.6 ! B.314  at -4.84e+05
assign (resid  49 and name  HB# ) (resid  50 and name   HN )  3.0  1.2  0.5 ! B.322  at -4.05e+06
assign (resid  49 and name   HG ) (resid  50 and name   HN )  3.0  1.2  1.0 ! B.313  at -9.43e+05
!!!!assign (resid  49 and name  HB# ) (resid  50 and name  HD2 )  4.0  2.2  1.8 ! A.894  at 3.21e+05
!!!!assign (resid  49 and name   HN ) (resid  50 and name  HD2 )  4.0  2.2  1.5 ! B.550  at -2.18e+05
assign (resid  49 and name   HN ) (resid  50 and name   HN )  2.5  0.7  0.6 ! C.42   at -1.65e+06

assign (resid  49 and name   HA ) (resid  51 and name  HB2 )  4.0  2.2  1.5 ! A.746  at -5.88e+05
assign (resid  49 and name   HA ) (resid  51 and name   HN )  4.0  2.2  0.5 ! B.541  at 3.46e+06
assign (resid  49 and name  HB# ) (resid  51 and name   HN )  4.0  2.2  1.5 ! B.398  at -3.93e+05
assign (resid  49 and name   HN ) (resid  51 and name   HN )  3.0  1.2  1.5 ! C.48   at -3.25e+05
assign (resid  49 and name HD2# ) (resid  52 and name  HB2 )  4.0  2.2  1.5 ! A.667  at 8.62e+05
assign (resid  49 and name   HA ) (resid  52 and name  HB2 )  3.0  1.2  0.3 ! A.426  at -1.53e+06
assign (resid  49 and name  HB# ) (resid  52 and name  HB2 )  4.0  2.2  0.5 ! A.755  at 3.70e+05
assign (resid  49 and name   HA ) (resid  52 and name HD1# )  3.0  1.2  0.8 ! A.745  at -1.67e+06
assign (resid  49 and name   HA ) (resid  52 and name  HB1 )  4.0  2.2  1.6 ! A.742  at -1.63e+05
assign (resid  49 and name   HA ) (resid  52 and name   HG )  3.0  1.2  0.3 ! A.434  at -1.00e+06
assign (resid  49 and name HD2# ) (resid  52 and name HD1# )  2.5  0.7  1.2 ! A.435  at 7.39e+06
assign (resid  49 and name   HA ) (resid  52 and name HD2# )  4.0  2.2  1.2 ! A.672  at -3.04e+06
assign (resid  49 and name   HA ) (resid  52 and name   HN )  3.0  1.2  0.5 ! B.367  at 2.21e+06

! Y50

assign (resid  50 and name   HA ) (resid  50 and name  HB1 )  2.5  0.7  0.6 ! A.660  at -3.45e+06
assign (resid  50 and name   HA ) (resid  50 and name  HB2 )  3.0  1.2  0.3 ! A.662  at -3.45e+06
assign (resid  50 and name   HA ) (resid  50 and name  HD2 )  2.5  0.7  0.3 ! A.868  at -2.59e+06
assign (resid  50 and name   HA ) (resid  50 and name  HD1 )  3.0  1.2  0.8 ! A.869  at -2.59e+06
assign (resid  50 and name  HB2 ) (resid  50 and name  HD1 )  3.0  1.2  0.8 ! A.664  at 3.40e+06
assign (resid  50 and name  HB2 ) (resid  50 and name  HD2 )  2.5  0.7  0.5 ! A.663  at 3.40e+06
assign (resid  50 and name  HB1 ) (resid  50 and name  HD1 )  2.5  0.7  0.5 ! A.659  at 3.23e+06
assign (resid  50 and name  HB1 ) (resid  50 and name  HD2 )  3.0  1.2  0.8 ! A.658  at 3.23e+06

assign (resid  50 and name  HB2 ) (resid  50 and name  HE2 )  4.0  2.2  0.6 ! A.872  at 7.73e+05
assign (resid  50 and name  HB1 ) (resid  50 and name  HE1 )  4.0  2.2  0.6 ! A.873  at 7.73e+05

assign (resid  50 and name   HA ) (resid  50 and name   HN )  2.5  0.7  0.3 ! B.319  at 3.61e+06
assign (resid  50 and name  HD1 ) (resid  50 and name   HN )  4.0  2.2  1.0 ! B.539  at -1.59e+06
assign (resid  50 and name  HD2 ) (resid  50 and name   HN )  3.0  1.2  0.8 ! B.325  at -1.59e+06
assign (resid  50 and name  HB1 ) (resid  50 and name   HN )  2.5  0.7  0.5 ! B.321  at -8.21e+06
assign (resid  50 and name  HB2 ) (resid  50 and name   HN )  2.5  0.7  0.3 ! B.320  at -8.21e+06

assign (resid  50 and name  HB1 ) (resid  51 and name  HB2 )  4.0  2.2  1.0 ! A.661  at 4.33e+05
assign (resid  50 and name  HD1 ) (resid  51 and name   HA )  3.0  1.2  0.5 ! A.876  at -4.68e+05
assign (resid  50 and name  HD1 ) (resid  51 and name  HG1 )  3.0  1.2  1.2 ! A.875  at 6.68e+05
assign (resid  50 and name  HD1 ) (resid  51 and name  HG2 )  3.0  1.2  0.3 ! A.874  at 6.68e+05

assign (resid  50 and name   HA ) (resid  51 and name   HN )  3.0  1.2  0.5 ! B.347  at 1.09e+06
assign (resid  50 and name  HD1 ) (resid  51 and name   HN )  3.0  1.2  0.5 ! B.540  at -7.68e+05
assign (resid  50 and name  HD2 ) (resid  51 and name   HN )  4.0  2.2  1.2 ! B.350  at -7.68e+05
assign (resid  50 and name  HB2 ) (resid  51 and name   HN )  3.0  1.2  0.5 ! B.346  at -3.39e+06
assign (resid  50 and name  HB1 ) (resid  51 and name   HN )  2.5  0.7  0.3 ! B.345  at -3.39e+06
!!!!assign (resid  50 and name   HN ) (resid  51 and name  HB2 )  4.0  2.2  1.5 ! B.532  at -3.34e+05
assign (resid  50 and name   HN ) (resid  51 and name   HN )  2.5  0.7  0.4 ! C.47   at -3.99e+06

assign (resid  50 and name   HA ) (resid  52 and name   HN )  4.0  2.2  1.0 ! B.369  at 2.51e+05
assign (resid  50 and name   HN ) (resid  52 and name   HN )  3.0  1.2  1.0 ! C.45   at -5.68e+05
assign (resid  50 and name  HD2 ) (resid  53 and name  HB2 )  4.0  2.2  1.0 ! A.895  at 5.18e+05
assign (resid  50 and name  HD2 ) (resid  53 and name  HB1 )  4.0  2.2  1.3 ! A.896  at 3.31e+05
assign (resid  50 and name   HA ) (resid  53 and name  HB1 )  3.0  1.2  0.5 ! A.673  at -1.50e+06
assign (resid  50 and name   HA ) (resid  53 and name  HB2 )  2.5  0.7  0.5 ! A.894  at -1.50e+06
!!!!assign (resid  50 and name   HN ) (resid  53 and name  HB1 )  4.0  2.2  1.5 ! B.315  at -3.35e+05
assign (resid  50 and name   HA ) (resid  53 and name   HN )  3.0  1.2  1.0 ! B.403  at 2.11e+05

! Q51
assign (resid  51 and name  HB1 ) (resid  51 and name   HA )  2.5  0.7  0.5 ! A.416  at -1.23e+06
assign (resid  51 and name  HB2 ) (resid  51 and name   HA )  3.0  1.2  0.3 ! A.907  at -1.03e+06
assign (resid  51 and name  HG1 ) (resid  51 and name   HA )  3.0  1.2  0.5 ! A.415  at -2.43e+06
assign (resid  51 and name  HG2 ) (resid  51 and name   HA )  3.0  1.2  0.5 ! A.412  at -2.43e+06

assign (resid  51 and name   HA ) (resid  51 and name   HN )  2.5  0.7  0.5 ! B.344  at 3.46e+06
assign (resid  51 and name  HB2 ) (resid  51 and name   HN )  3.0  1.2  0.5 ! B.352  at -2.38e+06
assign (resid  51 and name  HB1 ) (resid  51 and name   HN )  3.0  1.2  0.5 ! B.351  at -3.73e+06
assign (resid  51 and name  HG2 ) (resid  51 and name   HN )  3.0  1.2  0.5 ! B.353  at -2.32e+06
assign (resid  51 and name  HG1 ) (resid  51 and name   HN )  3.0  1.2  0.5 ! B.355  at -3.00e+06

assign (resid  51 and name   HA ) (resid  51 and name HE21 )  4.0  2.2  0.8 ! B.452  at 4.95e+05
assign (resid  51 and name  HB1 ) (resid  51 and name HE21 )  3.0  1.2  1.0 ! B.453  at -6.91e+05
assign (resid  51 and name  HB2 ) (resid  51 and name HE21 )  4.0  2.2  1.0 ! B.454  at -7.04e+05
assign (resid  51 and name  HG1 ) (resid  51 and name HE21 )  3.0  1.2  0.5 ! B.456  at -2.09e+06
assign (resid  51 and name  HG2 ) (resid  51 and name HE21 )  2.5  0.7  0.3 ! B.455  at -3.02e+06
assign (resid  51 and name  HB2 ) (resid  51 and name HE22 )  4.0  2.2  1.0 ! B.446  at -4.28e+05
assign (resid  51 and name  HG1 ) (resid  51 and name HE22 )  3.0  1.2  1.2 ! B.451  at -8.27e+05
assign (resid  51 and name  HG2 ) (resid  51 and name HE22 )  3.0  1.2  0.6 ! B.448  at -1.09e+06

assign (resid  51 and name   HA ) (resid  52 and name   HN )  3.0  1.2  0.5 ! B.368  at 2.21e+06
assign (resid  51 and name  HB1 ) (resid  52 and name   HN )  3.0  1.2  0.7 ! B.361  at -1.28e+06
assign (resid  51 and name  HB2 ) (resid  52 and name   HN )  3.0  1.2  0.5 ! B.362  at -1.20e+06
assign (resid  51 and name  HG1 ) (resid  52 and name   HN )  4.0  2.2  0.5 ! B.533  at -5.92e+05
assign (resid  51 and name  HG2 ) (resid  52 and name   HN )  4.0  2.2  1.0 ! B.364  at -5.92e+05

assign (resid  51 and name   HN ) (resid  52 and name   HG )  4.0  2.2  1.0 ! B.397  at -3.22e+05
assign (resid  51 and name   HN ) (resid  52 and name  HB2 )  4.0  2.2  1.0 ! B.400  at -3.94e+05

assign (resid  51 and name   HN ) (resid  52 and name   HN )  2.5  0.7  0.4 ! C.51   at -3.91e+06
assign (resid  51 and name  HB2 ) (resid  53 and name   HN )  4.0  3.2  1.5 ! B.375  at -2.49e+06
assign (resid  51 and name   HA ) (resid  54 and name  HB2 )  3.0  1.2  0.3 ! A.409  at -1.05e+06
assign (resid  51 and name   HA ) (resid  54 and name  HB1 )  3.0  1.2  0.5 ! A.408  at -1.05e+06
assign (resid  51 and name   HA ) (resid  54 and name   HN )  3.0  1.2  1.0 ! B.385  at 8.50e+05
assign (resid  51 and name   HA ) (resid  54 and name HD22 )  4.0  2.2  1.0 ! B.460  at 7.44e+05
assign (resid  51 and name  HB1 ) (resid  54 and name HD22 )  4.0  2.2  2.0 ! B.464  at -2.73e+05
assign (resid  51 and name  HB1 ) (resid  54 and name HD21 )  4.0  2.2  0.5 ! B.464  at -2.73e+05
assign (resid  51 and name   HA ) (resid  54 and name HD21 )  3.0  1.2  1.0 ! B.457  at 4.00e+05
assign (resid  51 and name  HB2 ) (resid  55 and name  HE2 )  4.0  2.2  1.0 ! A.481  at 8.09e+05

! L52
assign (resid  52 and name   HA ) (resid  52 and name  HB1 )  2.5  0.7  0.4 ! A.420  at -1.04e+06
assign (resid  52 and name   HA ) (resid  52 and name  HB2 )  2.5  0.7  0.3 ! A.426  at -1.53e+06
assign (resid  52 and name HD1# ) (resid  52 and name  HB2 )  3.0  1.2  0.8 ! A.422  at 2.63e+06
assign (resid  52 and name HD2# ) (resid  52 and name  HB1 )  4.0  2.2  1.5 ! A.418  at 8.71e+05
assign (resid  52 and name HD1# ) (resid  52 and name  HB1 )  3.0  1.2  0.8 ! A.419  at 1.14e+06
assign (resid  52 and name   HA ) (resid  52 and name   HG )  3.0  1.2  0.3 ! A.433  at -1.18e+06
assign (resid  52 and name   HA ) (resid  52 and name HD1# )  3.0  1.2  1.5 ! A.401  at -1.59e+06
assign (resid  52 and name   HA ) (resid  52 and name HD2# )  3.0  1.2  1.0 ! A.440  at -3.04e+06

assign (resid  52 and name   HA ) (resid  52 and name   HN )  2.5  0.7  0.5 ! B.366  at 2.27e+06
assign (resid  52 and name  HB1 ) (resid  52 and name   HN )  3.0  1.2  0.6 ! B.357  at -1.34e+06
assign (resid  52 and name  HB2 ) (resid  52 and name   HN )  2.5  0.7  0.5 ! B.356  at -3.78e+06
assign (resid  52 and name   HG ) (resid  52 and name   HN )  2.5  0.7  0.5 ! B.360  at -3.07e+06
assign (resid  52 and name HD1# ) (resid  52 and name   HN )  3.0  1.2  1.5 ! B.359  at -7.15e+05
assign (resid  52 and name HD2# ) (resid  52 and name   HN )  3.0  1.2  1.0 ! B.358  at -1.14e+06

assign (resid  52 and name   HA ) (resid  53 and name   HN )  3.0  1.2  0.5 ! B.371  at 1.15e+06
assign (resid  52 and name  HB2 ) (resid  53 and name   HN )  3.0  1.2  0.5 ! B.377  at -3.90e+05
assign (resid  52 and name  HB1 ) (resid  53 and name   HN )  3.0  1.2  1.0 ! B.376  at -2.61e+05
assign (resid  52 and name   HN ) (resid  53 and name   HN )  2.5  0.7  0.4 ! C.50   at -2.50e+06
assign (resid  52 and name   HA ) (resid  54 and name   HN )  3.0  1.2  0.5 ! B.536  at 1.74e+06

assign (resid  52 and name HD1# ) (resid  55 and name  HD2 )  4.0  2.2  2.5 ! A.712  at 7.92e+05
assign (resid  52 and name   HG ) (resid  55 and name  HD2 )  4.0  2.2  2.0 ! A.707  at 6.81e+05
assign (resid  52 and name   HA ) (resid  55 and name  HD2 )  3.0  1.2  0.3 ! A.466  at -3.17e+06
assign (resid  52 and name HD2# ) (resid  55 and name  HD2 )  3.0  1.2  1.5 ! A.708  at -2.07e+06
assign (resid  52 and name   HG ) (resid  55 and name  HE2 )  4.0  2.2  1.0 ! A.483  at 3.63e+05
assign (resid  52 and name HD2# ) (resid  55 and name  HE2 )  4.0  2.2  0.5 ! A.482  at 6.19e+05
assign (resid  52 and name   HA ) (resid  55 and name  HE2 )  3.0  1.2  1.0 ! A.476  at -8.18e+05
assign (resid  52 and name   HA ) (resid  55 and name   HN )  3.0  1.2  0.5 ! B.92   at 1.85e+06

! E53
assign (resid  53 and name   HA ) (resid  53 and name  HB1 )  2.5  0.7  0.4 ! A.908  at -4.11e+06
assign (resid  53 and name   HA ) (resid  53 and name  HB2 )  2.5  0.7  0.4 ! A.909  at -3.51e+06
assign (resid  53 and name   HA ) (resid  53 and name   HN )  3.0  1.2  0.5 ! B.372  at 1.15e+06
assign (resid  53 and name  HG# ) (resid  53 and name   HN )  3.0  1.2  1.5 ! B.378  at -8.08e+05
assign (resid  53 and name  HB1 ) (resid  53 and name   HN )  3.0  1.2  0.5 ! B.374  at -2.49e+06
assign (resid  53 and name  HB2 ) (resid  53 and name   HN )  3.0  1.2  0.5 ! B.534  at -2.49e+06
assign (resid  53 and name   HA ) (resid  54 and name   HN )  3.0  1.2  0.5 ! B.384  at 2.08e+06
assign (resid  53 and name  HB1 ) (resid  54 and name   HN )  3.0  1.2  1.0 ! B.379  at -3.09e+06
assign (resid  53 and name  HB2 ) (resid  54 and name   HN )  3.0  1.2  1.0 ! B.551  at -3.09e+06
assign (resid  53 and name  HG# ) (resid  54 and name   HN )  4.0  2.2  1.5 ! B.393  at -4.50e+05
assign (resid  53 and name   HN ) (resid  54 and name   HN )  2.5  0.7  0.4 ! C.52   at -8.61e+05
assign (resid  53 and name   HA ) (resid  55 and name  HD2 )  4.0  2.2  1.0 ! A.846  at -3.17e+05
assign (resid  53 and name   HA ) (resid  55 and name   HN )  3.0  1.2  0.8 ! B.102  at 1.85e+06
assign (resid  53 and name   HN ) (resid  55 and name   HN )  3.0  1.2  1.3 ! C.55   at -7.99e+07
assign (resid  53 and name   HA ) (resid  56 and name  HB1 )  4.0  2.2  0.5 ! A.674  at -3.97e+05
assign (resid  53 and name   HA ) (resid  56 and name   HN )  3.0  1.2  0.5 ! B.387  at 1.74e+06

! N54
assign (resid  54 and name   HA ) (resid  54 and name  HB1 )  2.5  0.7  0.7 ! A.910  at -2.51e+06
assign (resid  54 and name   HA ) (resid  54 and name  HB2 )  2.5  0.7  0.3 ! A.911  at -2.45e+06
assign (resid  54 and name   HA ) (resid  54 and name   HN )  2.5  0.7  0.5 ! B.380  at 4.05e+06
assign (resid  54 and name  HB2 ) (resid  54 and name   HN )  3.0  1.2  0.5 ! B.383  at -3.79e+06
assign (resid  54 and name  HB1 ) (resid  54 and name   HN )  2.5  0.7  0.4 ! B.381  at -9.11e+06
assign (resid  54 and name  HB1 ) (resid  54 and name HD22 )  3.0  1.2  0.8 ! B.546  at -2.10e+06
assign (resid  54 and name  HB2 ) (resid  54 and name HD22 )  3.0  1.2  0.8 ! B.462  at -2.10e+06
assign (resid  54 and name  HB1 ) (resid  54 and name HD21 )  3.0  1.2  0.3 ! B.458  at -8.05e+05
assign (resid  54 and name  HB2 ) (resid  54 and name HD21 )  3.0  1.2  0.3 ! B.459  at -8.24e+05

assign (resid  54 and name  HB2 ) (resid  55 and name  HD2 )  4.0  2.2  1.0 ! A.710  at 3.89e+05
assign (resid  54 and name  HB1 ) (resid  55 and name  HE1 )  4.0  2.2  0.5 ! A.845  at 4.73e+05
assign (resid  54 and name  HB1 ) (resid  55 and name  HE2 )  3.0  1.2  1.0 ! A.478  at 4.73e+05
assign (resid  54 and name  HB2 ) (resid  55 and name  HE2 )  4.0  2.2  0.5 ! A.845  at 4.73e+05

assign (resid  54 and name   HA ) (resid  55 and name   HN )  3.0  1.2  0.5 ! B.91   at 1.46e+06
assign (resid  54 and name  HB2 ) (resid  55 and name   HN )  3.0  1.2  1.2 ! B.404  at -1.94e+06
assign (resid  54 and name  HB1 ) (resid  55 and name   HN )  3.0  1.2  0.5 ! B.99   at -1.76e+06
assign (resid  54 and name   HN ) (resid  55 and name   HN )  2.5  0.7  0.4 ! C.53   at -6.80e+06
assign (resid  54 and name   HN ) (resid  55 and name  HD2 )  3.0  1.2  0.5 ! B.537  at -5.04e+05
assign (resid  54 and name   HA ) (resid  56 and name   HN )  3.0  1.2  0.8 ! B.407  at 2.21e+06
assign (resid  54 and name   HN ) (resid  56 and name   HN )  3.0  1.2  0.8 ! C.58   at -5.35e+07

! Y55
assign (resid  55 and name   HA ) (resid  55 and name  HB2 )  2.5  0.7  0.6 ! A.893  at -1.03e+06
assign (resid  55 and name   HA ) (resid  55 and name  HB1 )  2.5  0.7  0.3 ! A.459  at -4.29e+06
assign (resid  55 and name  HB1 ) (resid  55 and name  HD2 )  3.0  1.2  0.5 ! A.473  at 1.67e+06
assign (resid  55 and name  HB1 ) (resid  55 and name  HD1 )  3.0  1.2  0.3 ! A.471  at 1.67e+06
assign (resid  55 and name  HB2 ) (resid  55 and name  HD1 )  3.0  1.2  0.6 ! A.474  at 1.74e+06
assign (resid  55 and name  HB2 ) (resid  55 and name  HD2 )  3.0  1.2  0.3 ! A.470  at 1.74e+06
assign (resid  55 and name   HA ) (resid  55 and name  HD1 )  3.0  1.2  0.3 ! A.467  at -1.50e+06
assign (resid  55 and name   HA ) (resid  55 and name  HD2 )  3.0  1.2  1.0 ! A.897  at -1.50e+06
assign (resid  55 and name  HB1 ) (resid  55 and name  HE1 )  4.0  2.2  2.0 ! A.706  at 3.32e+05
assign (resid  55 and name   HA ) (resid  55 and name   HN )  2.5  0.7  0.5 ! B.101  at 2.08e+06
assign (resid  55 and name  HB1 ) (resid  55 and name   HN )  3.0  1.2  0.8 ! B.98   at -1.72e+06
assign (resid  55 and name  HB2 ) (resid  55 and name   HN )  3.0  1.2  0.5 ! B.97   at -2.71e+06
assign (resid  55 and name  HD1 ) (resid  55 and name   HN )  3.0  1.2  1.5 ! B.89   at -3.14e+06
assign (resid  55 and name  HD2 ) (resid  55 and name   HN )  3.0  1.2  0.5 ! B.535  at -3.14e+06
assign (resid  55 and name  HE2 ) (resid  55 and name   HN )  4.0  2.2  0.5 ! B.90   at -5.06e+05

assign (resid  55 and name   HA ) (resid  56 and name   HN )  3.0  1.2  0.5 ! B.388  at 6.36e+05
assign (resid  55 and name  HB1 ) (resid  56 and name   HN )  4.0  2.2  0.5 ! B.391  at -3.47e+05
assign (resid  55 and name  HB2 ) (resid  56 and name   HN )  3.0  1.2  1.0 ! B.392  at -2.70e+05
assign (resid  55 and name  HD2 ) (resid  56 and name   HN )  4.0  2.2  0.5 ! B.406  at -5.04e+05
assign (resid  55 and name   HN ) (resid  56 and name   HN )  2.5  0.7  0.4 ! C.56   at -9.19e+06

! C56
assign (resid  56 and name   HA ) (resid  56 and name  HB1 )  2.5  0.7  0.3 ! A.503  at -1.58e+06
assign (resid  56 and name   HA ) (resid  56 and name  HB2 )  3.0  1.2  0.3 ! A.152  at -1.15e+06
assign (resid  56 and name   HA ) (resid  56 and name   HN )  2.5  0.7  0.6 ! B.386  at 1.10e+06
assign (resid  56 and name  HB2 ) (resid  56 and name   HN )  2.5  0.7  0.3 ! B.390  at -1.10e+06
assign (resid  56 and name  HB1 ) (resid  56 and name   HN )  3.0  1.2  0.5 ! B.389  at -2.18e+06
assign (resid  56 and name   HA ) (resid  57 and name   HN )  2.5  0.7  0.3 ! B.409  at 3.02e+06
assign (resid  56 and name  HB1 ) (resid  57 and name   HN )  3.0  1.2  1.0 ! B.413  at -1.52e+06
assign (resid  56 and name  HB2 ) (resid  57 and name   HN )  4.0  2.2  0.5 ! B.414  at -7.27e+05

! N57
assign (resid  57 and name   HA ) (resid  57 and name  HB2 )  2.5  0.7  0.3 ! A.501  at -2.43e+06
assign (resid  57 and name   HA ) (resid  57 and name  HB1 )  3.0  1.2  0.3 ! A.499  at -1.45e+06
assign (resid  57 and name   HA ) (resid  57 and name   HN )  2.5  0.7  0.3 ! B.408  at 1.74e+06
assign (resid  57 and name  HB1 ) (resid  57 and name   HN )  3.0  1.2  0.5 ! B.416  at -2.32e+06
assign (resid  57 and name  HB2 ) (resid  57 and name   HN )  3.0  1.2  0.5 ! B.415  at -1.59e+06
assign (resid  57 and name  HB2 ) (resid  57 and name HD21 )  3.0  1.2  0.3 ! B.466  at -3.54e+06
assign (resid  57 and name  HB1 ) (resid  57 and name HD21 )  3.0  1.2  0.5 ! B.467  at -3.54e+06
assign (resid  57 and name  HB1 ) (resid  57 and name HD22 )  4.0  2.2  0.3 ! B.469  at -9.83e+05
assign (resid  57 and name  HB2 ) (resid  57 and name HD22 )  3.0  1.2  0.7 ! B.468  at -9.83e+05


!@ END_XPLR_NOE_FILE

assign (resid    1 and name C    ) (resid    2 and name N    )
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assign (resid    2 and name N    ) (resid    2 and name CA   )
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assign (resid    2 and name C    ) (resid    3 and name N    )
       (resid    3 and name CA   ) (resid    3 and name C    )    1.0  -88.0   24.0 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name C    ) (resid    4 and name N    )    1.0  -25.0   48.0 2

!assign (resid    1 and name C    ) (resid    2 and name N    )
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!assign (resid    2 and name N    ) (resid    2 and name CA   )
!       (resid    2 and name C    ) (resid    3 and name N    )    1.0  134.0   54.0 2
!assign (resid    2 and name C    ) (resid    3 and name N    )
!       (resid    3 and name CA   ) (resid    3 and name C    )    1.0  -88.0   24.0 2
!assign (resid    3 and name N    ) (resid    3 and name CA   )
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assign (resid    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    1.0 -139.0   42.0 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
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assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    1.0  -86.0   40.0 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
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assign (resid    5 and name C    ) (resid    6 and name N    )
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assign (resid    6 and name N    ) (resid    6 and name CA   )
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assign (resid    6 and name C    ) (resid    7 and name N    )
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assign (resid    7 and name N    ) (resid    7 and name CA   )
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assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0   51.0   20.0 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0 -134.0   26.0 2
assign (resid    8 and name C    ) (resid    9 and name N    )
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assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name C    ) (resid   10 and name N    )    1.0  -33.0   36.0 2
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0  -65.0   20.0 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0  -43.0   20.0 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0  -62.0   20.0 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0  -43.0   20.0 2
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0  -60.0   20.0 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  -45.0   20.0 2
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0  -61.0   20.0 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  -37.0   20.0 2
assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0  -67.0   20.0 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0  -41.0   20.0 2
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0  -63.0   20.0 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name C    ) (resid   16 and name N    )    1.0  -40.0   20.0 2
assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0  -62.0   20.0 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name C    ) (resid   17 and name N    )    1.0  -37.0   20.0 2
assign (resid   16 and name C    ) (resid   17 and name N    )
       (resid   17 and name CA   ) (resid   17 and name C    )    1.0  -63.0   20.0 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name C    ) (resid   18 and name N    )    1.0  -40.0   22.0 2
assign (resid   17 and name C    ) (resid   18 and name N    )
       (resid   18 and name CA   ) (resid   18 and name C    )    1.0  -71.0   20.0 2
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name C    ) (resid   19 and name N    )    1.0  -39.0   22.0 2
assign (resid   18 and name C    ) (resid   19 and name N    )
       (resid   19 and name CA   ) (resid   19 and name C    )    1.0  -94.0   20.0 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name C    ) (resid   20 and name N    )    1.0    6.0   28.0 2
assign (resid   19 and name C    ) (resid   20 and name N    )
       (resid   20 and name CA   ) (resid   20 and name C    )    1.0   45.0   28.0 2
assign (resid   20 and name N    ) (resid   20 and name CA   )
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assign (resid   20 and name C    ) (resid   21 and name N    )
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assign (resid   21 and name N    ) (resid   21 and name CA   )
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assign (resid   21 and name C    ) (resid   22 and name N    )
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assign (resid   22 and name N    ) (resid   22 and name CA   )
       (resid   22 and name C    ) (resid   23 and name N    )    1.0  -28.0   20.0 2
assign (resid   22 and name C    ) (resid   23 and name N    )
       (resid   23 and name CA   ) (resid   23 and name C    )    1.0  116.0   40.0 2
assign (resid   23 and name N    ) (resid   23 and name CA   )
       (resid   23 and name C    ) (resid   24 and name N    )    1.0  168.0   20.0 2
assign (resid   23 and name C    ) (resid   24 and name N    )
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assign (resid   24 and name N    ) (resid   24 and name CA   )
       (resid   24 and name C    ) (resid   25 and name N    )    1.0  152.0   20.0 2
assign (resid   24 and name C    ) (resid   25 and name N    )
       (resid   25 and name CA   ) (resid   25 and name C    )    1.0 -114.0   44.0 2
assign (resid   25 and name N    ) (resid   25 and name CA   )
       (resid   25 and name C    ) (resid   26 and name N    )    1.0  138.0   32.0 2
assign (resid   25 and name C    ) (resid   26 and name N    )
       (resid   26 and name CA   ) (resid   26 and name C    )    1.0  -92.0   24.0 2
assign (resid   26 and name N    ) (resid   26 and name CA   )
       (resid   26 and name C    ) (resid   27 and name N    )    1.0  139.0   30.0 2
assign (resid   26 and name C    ) (resid   27 and name N    )
       (resid   27 and name CA   ) (resid   27 and name C    )    1.0 -104.0   38.0 2
assign (resid   27 and name N    ) (resid   27 and name CA   )
       (resid   27 and name C    ) (resid   28 and name N    )    1.0  144.0   30.0 2
assign (resid   27 and name C    ) (resid   28 and name N    )
       (resid   28 and name CA   ) (resid   28 and name C    )    1.0  -76.0   52.0 2
assign (resid   28 and name N    ) (resid   28 and name CA   )
       (resid   28 and name C    ) (resid   29 and name N    )    1.0  138.0   36.0 2
assign (resid   28 and name C    ) (resid   29 and name N    )
       (resid   29 and name CA   ) (resid   29 and name C    )    1.0  -60.0   24.0 2
assign (resid   29 and name N    ) (resid   29 and name CA   )
       (resid   29 and name C    ) (resid   30 and name N    )    1.0  -28.0   20.0 2
assign (resid   29 and name C    ) (resid   30 and name N    )
       (resid   30 and name CA   ) (resid   30 and name C    )    1.0  -78.0   22.0 2
assign (resid   30 and name N    ) (resid   30 and name CA   )
       (resid   30 and name C    ) (resid   31 and name N    )    1.0  -10.0   30.0 2
assign (resid   30 and name C    ) (resid   31 and name N    )
       (resid   31 and name CA   ) (resid   31 and name C    )    1.0   90.0   22.0 2
assign (resid   31 and name N    ) (resid   31 and name CA   )
       (resid   31 and name C    ) (resid   32 and name N    )    1.0   11.0   26.0 2
assign (resid   31 and name C    ) (resid   32 and name N    )
       (resid   32 and name CA   ) (resid   32 and name C    )    1.0  -82.0   24.0 2
assign (resid   32 and name N    ) (resid   32 and name CA   )
       (resid   32 and name C    ) (resid   33 and name N    )    1.0  -18.0   20.0 2
assign (resid   33 and name C    ) (resid   34 and name N    )
       (resid   34 and name CA   ) (resid   34 and name C    )    1.0  -70.0   20.0 2
assign (resid   34 and name N    ) (resid   34 and name CA   )
       (resid   34 and name C    ) (resid   35 and name N    )    1.0  154.0   30.0 2
assign (resid   34 and name C    ) (resid   35 and name N    )
       (resid   35 and name CA   ) (resid   35 and name C    )    1.0 -105.0   48.0 2
assign (resid   35 and name N    ) (resid   35 and name CA   )
       (resid   35 and name C    ) (resid   36 and name N    )    1.0  127.0   40.0 2
assign (resid   35 and name C    ) (resid   36 and name N    )
       (resid   36 and name CA   ) (resid   36 and name C    )    1.0  -90.0   30.0 2
assign (resid   36 and name N    ) (resid   36 and name CA   )
       (resid   36 and name C    ) (resid   37 and name N    )    1.0  -12.0   30.0 2
assign (resid   36 and name C    ) (resid   37 and name N    )
       (resid   37 and name CA   ) (resid   37 and name C    )    1.0  -62.0   20.0 2
assign (resid   37 and name N    ) (resid   37 and name CA   )
       (resid   37 and name C    ) (resid   38 and name N    )    1.0  -42.0   20.0 2
assign (resid   37 and name C    ) (resid   38 and name N    )
       (resid   38 and name CA   ) (resid   38 and name C    )    1.0  -64.0   35.0 2
assign (resid   38 and name N    ) (resid   38 and name CA   )
       (resid   38 and name C    ) (resid   39 and name N    )    1.0  -36.0   26.0 2
assign (resid   38 and name C    ) (resid   39 and name N    )
       (resid   39 and name CA   ) (resid   39 and name C    )    1.0  -61.0   20.0 2
assign (resid   39 and name N    ) (resid   39 and name CA   )
       (resid   39 and name C    ) (resid   40 and name N    )    1.0  -43.0   20.0 2
assign (resid   39 and name C    ) (resid   40 and name N    )
       (resid   40 and name CA   ) (resid   40 and name C    )    1.0  -64.0   20.0 2
assign (resid   40 and name N    ) (resid   40 and name CA   )
       (resid   40 and name C    ) (resid   41 and name N    )    1.0  -41.0   20.0 2
assign (resid   40 and name C    ) (resid   41 and name N    )
       (resid   41 and name CA   ) (resid   41 and name C    )    1.0  -66.0   20.0 2
assign (resid   41 and name N    ) (resid   41 and name CA   )
       (resid   41 and name C    ) (resid   42 and name N    )    1.0  -43.0   20.0 2
assign (resid   41 and name C    ) (resid   42 and name N    )
       (resid   42 and name CA   ) (resid   42 and name C    )    1.0  -64.0   20.0 2
assign (resid   42 and name N    ) (resid   42 and name CA   )
       (resid   42 and name C    ) (resid   43 and name N    )    1.0  -39.0   24.0 2
assign (resid   42 and name C    ) (resid   43 and name N    )
       (resid   43 and name CA   ) (resid   43 and name C    )    1.0  -62.0   20.0 2
assign (resid   43 and name N    ) (resid   43 and name CA   )
       (resid   43 and name C    ) (resid   44 and name N    )    1.0  -28.0   24.0 2
assign (resid   43 and name C    ) (resid   44 and name N    )
       (resid   44 and name CA   ) (resid   44 and name C    )    1.0  -82.0   22.0 2
assign (resid   44 and name N    ) (resid   44 and name CA   )
       (resid   44 and name C    ) (resid   45 and name N    )    1.0  -16.0   22.0 2
assign (resid   44 and name C    ) (resid   45 and name N    )
       (resid   45 and name CA   ) (resid   45 and name C    )    1.0 -106.0   30.0 2
assign (resid   45 and name N    ) (resid   45 and name CA   )
       (resid   45 and name C    ) (resid   46 and name N    )    1.0  143.0   30.0 2
assign (resid   45 and name C    ) (resid   46 and name N    )
       (resid   46 and name CA   ) (resid   46 and name C    )    1.0  -94.0   24.0 2
assign (resid   46 and name N    ) (resid   46 and name CA   )
       (resid   46 and name C    ) (resid   47 and name N    )    1.0  138.0   38.0 2
assign (resid   46 and name C    ) (resid   47 and name N    )
       (resid   47 and name CA   ) (resid   47 and name C    )    1.0 -112.0   32.0 2
assign (resid   47 and name N    ) (resid   47 and name CA   )
       (resid   47 and name C    ) (resid   48 and name N    )    1.0 162.0    24.0 2
assign (resid   47 and name C    ) (resid   48 and name N    )
       (resid   48 and name CA   ) (resid   48 and name C    )    1.0 -114.0   70.0 2
assign (resid   48 and name N    ) (resid   48 and name CA   )
       (resid   48 and name C    ) (resid   49 and name N    )    1.0  146.0   20.0 2
assign (resid   48 and name C    ) (resid   49 and name N    )
       (resid   49 and name CA   ) (resid   49 and name C    )    1.0  -57.0   20.0 2
assign (resid   49 and name N    ) (resid   49 and name CA   )
       (resid   49 and name C    ) (resid   50 and name N    )    1.0  -41.0   20.0 2
assign (resid   49 and name C    ) (resid   50 and name N    )
       (resid   50 and name CA   ) (resid   50 and name C    )    1.0  -63.0   20.0 2
assign (resid   50 and name N    ) (resid   50 and name CA   )
       (resid   50 and name C    ) (resid   51 and name N    )    1.0  -33.0   32.0 2
assign (resid   50 and name C    ) (resid   51 and name N    )
       (resid   51 and name CA   ) (resid   51 and name C    )    1.0  -66.0   20.0 2
assign (resid   51 and name N    ) (resid   51 and name CA   )
       (resid   51 and name C    ) (resid   52 and name N    )    1.0  -41.0   20.0 2
assign (resid   51 and name C    ) (resid   52 and name N    )
       (resid   52 and name CA   ) (resid   52 and name C    )    1.0  -63.0   20.0 2
assign (resid   52 and name N    ) (resid   52 and name CA   )
       (resid   52 and name C    ) (resid   53 and name N    )    1.0  -41.0   20.0 2
assign (resid   52 and name C    ) (resid   53 and name N    )
       (resid   53 and name CA   ) (resid   53 and name C    )    1.0  -65.0   20.0 2
assign (resid   53 and name N    ) (resid   53 and name CA   )
       (resid   53 and name C    ) (resid   54 and name N    )    1.0  -31.0   20.0 2
assign (resid   53 and name C    ) (resid   54 and name N    )
       (resid   54 and name CA   ) (resid   54 and name C    )    1.0  -70.0   20.0 2
assign (resid   54 and name N    ) (resid   54 and name CA   )
       (resid   54 and name C    ) (resid   55 and name N    )    1.0  -36.0   26.0 2
assign (resid   54 and name C    ) (resid   55 and name N    )
       (resid   55 and name CA   ) (resid   55 and name C    )    1.0  -81.0   28.0 2
assign (resid   55 and name N    ) (resid   55 and name CA   )
       (resid   55 and name C    ) (resid   56 and name N    )    1.0  -29.0   36.0 2
assign (resid   55 and name C    ) (resid   56 and name N    )
       (resid   56 and name CA   ) (resid   56 and name C    )    1.0  -82.0   36.0 2
assign (resid   56 and name N    ) (resid   56 and name CA   )
       (resid   56 and name C    ) (resid   57 and name N    )    1.0   79.0   32.0 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   PHE   1           HT1      PHE   1  -5.192 -11.771   3.764
    2    H2   PHE   1           HT2      PHE   1  -4.550 -13.128   2.969
    3    H3   PHE   1           HT3      PHE   1  -6.221 -12.824   2.924
    4    HA   PHE   1           HA       PHE   1  -5.344 -10.550   1.909
    5    HB2  PHE   1           HB2      PHE   1  -3.006 -11.611   2.104
    6    HB3  PHE   1           HB1      PHE   1  -3.473 -12.648   0.768
    7    HD1  PHE   1           HD2      PHE   1  -5.189  -9.822  -0.146
    8    HD2  PHE   1           HD1      PHE   1  -1.150 -11.121   0.446
    9    HE1  PHE   1           HE2      PHE   1  -4.408  -8.112  -1.688
   10    HE2  PHE   1           HE1      PHE   1  -0.367  -9.387  -1.107
   11    HZ   PHE   1           HZ       PHE   1  -1.986  -7.875  -2.180
   12    H    VAL   2           HN       VAL   2  -7.370 -12.696   1.938
   13    HA   VAL   2           HA       VAL   2  -7.581 -13.443  -0.944
   14    HB   VAL   2           HB       VAL   2  -9.570 -14.824   0.118
   15   HG11  VAL   2          HG11      VAL   2  -7.919 -16.610   0.766
   16   HG12  VAL   2          HG12      VAL   2  -6.633 -15.420   0.561
   17   HG13  VAL   2          HG13      VAL   2  -7.618 -15.900  -0.821
   18   HG21  VAL   2          HG21      VAL   2  -7.811 -14.619   2.564
   19   HG22  VAL   2          HG22      VAL   2  -9.468 -15.207   2.437
   20   HG23  VAL   2          HG23      VAL   2  -9.137 -13.479   2.339
   21    H    ASN   3           HN       ASN   3 -10.357 -13.164   1.148
   22    HA   ASN   3           HA       ASN   3 -11.503 -11.116  -0.688
   23    HB2  ASN   3           HB2      ASN   3 -12.971 -12.752   1.391
   24    HB3  ASN   3           HB1      ASN   3 -13.661 -11.864   0.035
   25   HD21  ASN   3          HD21      ASN   3 -14.059 -13.093  -1.796
   26   HD22  ASN   3          HD22      ASN   3 -13.325 -14.581  -2.155
   27    H    GLN   4           HN       GLN   4  -9.622 -10.575   1.587
   28    HA   GLN   4           HA       GLN   4 -11.372  -9.067   3.457
   29    HB2  GLN   4           HB2      GLN   4  -8.903  -8.580   4.413
   30    HB3  GLN   4           HB1      GLN   4  -9.767 -10.069   4.772
   31    HG2  GLN   4           HG2      GLN   4  -8.619 -11.218   2.930
   32    HG3  GLN   4           HG1      GLN   4  -7.784  -9.724   2.504
   33   HE21  GLN   4          HE21      GLN   4  -7.489 -12.570   4.300
   34   HE22  GLN   4          HE22      GLN   4  -6.237 -12.087   5.337
   35    H    HIS   5           HN       HIS   5 -10.906  -6.816   3.888
   36    HA   HIS   5           HA       HIS   5 -10.281  -5.339   1.410
   37    HB2  HIS   5           HB2      HIS   5 -11.255  -3.435   2.576
   38    HB3  HIS   5           HB1      HIS   5 -12.320  -4.825   2.750
   39    HD2  HIS   5           HD2      HIS   5 -12.022  -2.347   5.104
   40    HE1  HIS   5           HE1      HIS   5 -10.461  -5.519   7.416
   41    HE2  HIS   5           HE2      HIS   5 -11.437  -3.173   7.499
   42    H    LEU   6           HN       LEU   6  -8.434  -4.197   1.116
   43    HA   LEU   6           HA       LEU   6  -6.421  -4.124   3.308
   44    HB2  LEU   6           HB2      LEU   6  -6.358  -3.873   0.320
   45    HB3  LEU   6           HB1      LEU   6  -5.107  -3.061   1.225
   46    HG   LEU   6           HG       LEU   6  -4.126  -5.038   1.949
   47   HD11  LEU   6          HD11      LEU   6  -6.873  -6.210   1.797
   48   HD12  LEU   6          HD12      LEU   6  -5.707  -6.254   3.118
   49   HD13  LEU   6          HD13      LEU   6  -5.482  -7.285   1.714
   50   HD21  LEU   6          HD21      LEU   6  -5.498  -5.730  -0.664
   51   HD22  LEU   6          HD22      LEU   6  -4.196  -6.650   0.045
   52   HD23  LEU   6          HD23      LEU   6  -3.904  -4.999  -0.463
   53    H    CYS   7           HN       CYS   7  -5.851  -2.205   4.278
   54    HA   CYS   7           HA       CYS   7  -6.576   0.354   3.010
   55    HB2  CYS   7           HB2      CYS   7  -8.463  -0.733   4.619
   56    HB3  CYS   7           HB1      CYS   7  -7.515   0.114   5.838
   57    H    GLY   8           HN       GLY   8  -4.901   1.698   3.334
   58    HA2  GLY   8           HA2      GLY   8  -3.080   2.753   4.399
   59    HA3  GLY   8           HA1      GLY   8  -3.584   1.977   5.900
   60    H    SER   9           HN       SER   9  -1.497   1.306   6.504
   61    HA   SER   9           HA       SER   9   0.517   0.151   4.973
   62    HB2  SER   9           HB2      SER   9  -0.379  -0.524   7.785
   63    HB3  SER   9           HB1      SER   9   1.096  -1.165   7.066
   64    HG   SER   9           HG       SER   9   1.105   0.941   8.337
   65    H    ASP  10           HN       ASP  10  -2.484  -1.383   6.063
   66    HA   ASP  10           HA       ASP  10  -1.900  -4.089   5.649
   67    HB2  ASP  10           HB2      ASP  10  -4.362  -2.420   5.215
   68    HB3  ASP  10           HB1      ASP  10  -4.385  -4.102   4.702
   69    H    LEU  11           HN       LEU  11  -2.971  -1.724   3.200
   70    HA   LEU  11           HA       LEU  11  -2.850  -3.427   0.962
   71    HB2  LEU  11           HB2      LEU  11  -3.820  -1.203   0.761
   72    HB3  LEU  11           HB1      LEU  11  -2.287  -0.453   1.190
   73    HG   LEU  11           HG       LEU  11  -1.268  -1.196  -0.870
   74   HD11  LEU  11          HD11      LEU  11  -3.816  -2.768  -1.212
   75   HD12  LEU  11          HD12      LEU  11  -2.159  -3.375  -1.179
   76   HD13  LEU  11          HD13      LEU  11  -2.718  -2.421  -2.539
   77   HD21  LEU  11          HD21      LEU  11  -4.067  -0.179  -1.441
   78   HD22  LEU  11          HD22      LEU  11  -2.692  -0.083  -2.540
   79   HD23  LEU  11          HD23      LEU  11  -2.680   0.831  -1.032
   80    H    VAL  12           HN       VAL  12  -0.303  -1.212   2.153
   81    HA   VAL  12           HA       VAL  12   1.740  -1.807   0.372
   82    HB   VAL  12           HB       VAL  12   2.168  -1.591   3.363
   83   HG11  VAL  12          HG11      VAL  12   4.086  -2.141   1.699
   84   HG12  VAL  12          HG12      VAL  12   4.326  -0.804   2.818
   85   HG13  VAL  12          HG13      VAL  12   3.887  -0.480   1.143
   86   HG21  VAL  12          HG21      VAL  12   1.743   0.591   1.298
   87   HG22  VAL  12          HG22      VAL  12   2.260   0.865   2.960
   88   HG23  VAL  12          HG23      VAL  12   0.660   0.204   2.633
   89    H    GLU  13           HN       GLU  13   1.508  -3.460   3.548
   90    HA   GLU  13           HA       GLU  13   3.330  -5.512   3.060
   91    HB2  GLU  13           HB2      GLU  13   0.683  -5.867   4.495
   92    HB3  GLU  13           HB1      GLU  13   2.145  -6.825   4.728
   93    HG2  GLU  13           HG2      GLU  13   3.341  -4.834   5.535
   94    HG3  GLU  13           HG1      GLU  13   1.899  -3.852   5.275
   95    H    ALA  14           HN       ALA  14   0.089  -5.148   1.790
   96    HA   ALA  14           HA       ALA  14  -0.026  -7.886   0.771
   97    HB1  ALA  14           HB1      ALA  14  -2.217  -7.359   0.742
   98    HB2  ALA  14           HB2      ALA  14  -1.923  -6.237  -0.591
   99    HB3  ALA  14           HB3      ALA  14  -1.848  -5.671   1.071
  100    H    LEU  15           HN       LEU  15   0.293  -4.654  -0.830
  101    HA   LEU  15           HA       LEU  15   0.742  -5.648  -3.416
  102    HB2  LEU  15           HB2      LEU  15   1.905  -3.237  -2.024
  103    HB3  LEU  15           HB1      LEU  15   2.291  -3.608  -3.701
  104    HG   LEU  15           HG       LEU  15  -0.604  -3.488  -2.858
  105   HD11  LEU  15          HD11      LEU  15   0.930  -1.062  -3.829
  106   HD12  LEU  15          HD12      LEU  15   0.649  -1.356  -2.116
  107   HD13  LEU  15          HD13      LEU  15  -0.715  -1.128  -3.205
  108   HD21  LEU  15          HD21      LEU  15   0.124  -4.296  -5.140
  109   HD22  LEU  15          HD22      LEU  15   0.793  -2.695  -5.428
  110   HD23  LEU  15          HD23      LEU  15  -0.939  -2.893  -5.181
  111    H    TYR  16           HN       TYR  16   2.940  -5.441  -0.663
  112    HA   TYR  16           HA       TYR  16   5.396  -5.943  -1.882
  113    HB2  TYR  16           HB2      TYR  16   5.201  -5.550   0.507
  114    HB3  TYR  16           HB1      TYR  16   4.351  -7.077   0.718
  115    HD1  TYR  16           HD2      TYR  16   7.509  -5.819  -0.897
  116    HD2  TYR  16           HD1      TYR  16   5.634  -8.874   1.458
  117    HE1  TYR  16           HE2      TYR  16   9.684  -6.988  -0.685
  118    HE2  TYR  16           HE1      TYR  16   7.808 -10.049   1.672
  119    HH   TYR  16           HH       TYR  16   9.999 -10.125   0.255
  120    H    LEU  17           HN       LEU  17   3.000  -8.461  -0.911
  121    HA   LEU  17           HA       LEU  17   4.598 -10.609  -2.014
  122    HB2  LEU  17           HB2      LEU  17   1.590 -10.516  -1.623
  123    HB3  LEU  17           HB1      LEU  17   2.548 -11.952  -1.908
  124    HG   LEU  17           HG       LEU  17   3.835 -11.403   0.208
  125   HD11  LEU  17          HD11      LEU  17   3.429  -9.200   0.782
  126   HD12  LEU  17          HD12      LEU  17   2.219  -9.980   1.787
  127   HD13  LEU  17          HD13      LEU  17   1.753  -9.243   0.259
  128   HD21  LEU  17          HD21      LEU  17   1.793 -12.111   1.676
  129   HD22  LEU  17          HD22      LEU  17   2.301 -13.189   0.378
  130   HD23  LEU  17          HD23      LEU  17   0.905 -12.140   0.153
  131    H    VAL  18           HN       VAL  18   1.727  -8.868  -3.186
  132    HA   VAL  18           HA       VAL  18   1.410 -10.081  -5.682
  133    HB   VAL  18           HB       VAL  18   1.138  -7.123  -5.104
  134   HG11  VAL  18          HG11      VAL  18  -0.459  -7.093  -6.866
  135   HG12  VAL  18          HG12      VAL  18  -0.429  -8.844  -7.014
  136   HG13  VAL  18          HG13      VAL  18   0.972  -7.892  -7.496
  137   HG21  VAL  18          HG21      VAL  18  -1.160  -7.626  -4.447
  138   HG22  VAL  18          HG22      VAL  18  -0.046  -8.545  -3.436
  139   HG23  VAL  18          HG23      VAL  18  -0.895  -9.340  -4.761
  140    H    CYS  19           HN       CYS  19   3.266  -7.092  -5.090
  141    HA   CYS  19           HA       CYS  19   4.504  -7.208  -7.714
  142    HB2  CYS  19           HB2      CYS  19   5.507  -5.559  -5.401
  143    HB3  CYS  19           HB1      CYS  19   5.524  -5.176  -7.117
  144    H    GLY  20           HN       GLY  20   5.267  -8.413  -4.563
  145    HA2  GLY  20           HA2      GLY  20   7.127  -9.599  -3.755
  146    HA3  GLY  20           HA1      GLY  20   7.252 -10.199  -5.405
  147    H    GLU  21           HN       GLU  21   9.293  -9.925  -6.121
  148    HA   GLU  21           HA       GLU  21  11.046  -7.874  -5.018
  149    HB2  GLU  21           HB2      GLU  21  11.400  -9.856  -7.280
  150    HB3  GLU  21           HB1      GLU  21  12.675  -8.789  -6.691
  151    HG2  GLU  21           HG2      GLU  21  12.299  -9.764  -4.389
  152    HG3  GLU  21           HG1      GLU  21  11.230 -10.950  -5.139
  153    H    ARG  22           HN       ARG  22   8.801  -7.960  -7.605
  154    HA   ARG  22           HA       ARG  22  10.074  -6.309  -9.517
  155    HB2  ARG  22           HB2      ARG  22   7.140  -6.333  -8.747
  156    HB3  ARG  22           HB1      ARG  22   7.807  -5.711 -10.255
  157    HG2  ARG  22           HG2      ARG  22   8.380  -7.847 -11.043
  158    HG3  ARG  22           HG1      ARG  22   8.366  -8.559  -9.431
  159    HD2  ARG  22           HD2      ARG  22   6.081  -8.879  -9.451
  160    HD3  ARG  22           HD1      ARG  22   5.779  -7.416 -10.382
  161    HE   ARG  22           HE       ARG  22   7.042  -9.095 -12.188
  162   HH11  ARG  22          HH21      ARG  22   4.331  -9.279 -10.066
  163   HH12  ARG  22          HH22      ARG  22   3.444 -10.368 -11.079
  164   HH21  ARG  22          HH11      ARG  22   5.898 -10.514 -13.524
  165   HH22  ARG  22          HH12      ARG  22   4.330 -11.067 -13.037
  166    H    GLY  23           HN       GLY  23   8.680  -5.532  -6.398
  167    HA2  GLY  23           HA2      GLY  23   8.906  -3.529  -5.171
  168    HA3  GLY  23           HA1      GLY  23   9.854  -2.864  -6.505
  169    H    PHE  24           HN       PHE  24   7.703  -1.465  -5.115
  170    HA   PHE  24           HA       PHE  24   6.115  -0.755  -7.476
  171    HB2  PHE  24           HB2      PHE  24   3.963  -1.187  -6.470
  172    HB3  PHE  24           HB1      PHE  24   4.907  -2.672  -6.418
  173    HD1  PHE  24           HD1      PHE  24   5.823  -3.524  -4.317
  174    HD2  PHE  24           HD2      PHE  24   3.498   0.087  -4.421
  175    HE1  PHE  24           HE1      PHE  24   5.566  -3.617  -1.854
  176    HE2  PHE  24           HE2      PHE  24   3.236  -0.018  -1.956
  177    HZ   PHE  24           HZ       PHE  24   4.270  -1.865  -0.678
  178    H    PHE  25           HN       PHE  25   4.523   1.016  -6.834
  179    HA   PHE  25           HA       PHE  25   5.795   2.846  -4.827
  180    HB2  PHE  25           HB2      PHE  25   4.897   4.687  -6.257
  181    HB3  PHE  25           HB1      PHE  25   6.050   3.672  -7.125
  182    HD1  PHE  25           HD1      PHE  25   2.413   4.303  -6.590
  183    HD2  PHE  25           HD2      PHE  25   5.393   2.402  -9.035
  184    HE1  PHE  25           HE1      PHE  25   0.676   3.770  -8.287
  185    HE2  PHE  25           HE2      PHE  25   3.662   1.873 -10.730
  186    HZ   PHE  25           HZ       PHE  25   1.307   2.555 -10.357
  187    H    TYR  26           HN       TYR  26   4.419   3.807  -3.324
  188    HA   TYR  26           HA       TYR  26   1.720   2.672  -3.127
  189    HB2  TYR  26           HB2      TYR  26   3.359   3.289  -1.160
  190    HB3  TYR  26           HB1      TYR  26   2.725   4.920  -1.373
  191    HD1  TYR  26           HD1      TYR  26   1.526   1.371  -1.094
  192    HD2  TYR  26           HD2      TYR  26   0.751   5.510  -0.224
  193    HE1  TYR  26           HE1      TYR  26  -0.516   0.742   0.164
  194    HE2  TYR  26           HE2      TYR  26  -1.281   4.866   1.037
  195    HH   TYR  26           HH       TYR  26  -1.885   1.915   2.163
  196    H    THR  27           HN       THR  27  -0.124   4.338  -2.694
  197    HA   THR  27           HA       THR  27  -0.386   5.937  -5.051
  198    HB   THR  27           HB       THR  27  -2.324   5.012  -3.874
  199    HG1  THR  27           HG1      THR  27  -2.154   7.828  -4.010
  200   HG21  THR  27          HG21      THR  27  -1.596   7.005  -1.704
  201   HG22  THR  27          HG22      THR  27  -1.513   5.252  -1.579
  202   HG23  THR  27          HG23      THR  27  -3.070   6.042  -1.750
  203    H    ASP  28           HN       ASP  28  -1.106   8.366  -4.764
  204    HA   ASP  28           HA       ASP  28   1.081   9.931  -4.344
  205    HB2  ASP  28           HB2      ASP  28  -1.647  10.391  -4.829
  206    HB3  ASP  28           HB1      ASP  28  -1.296  11.380  -3.417
  207    HA   PRO  29           HA       PRO  29   1.754  10.034   0.090
  208    HB2  PRO  29           HB2      PRO  29   3.186  12.392   0.293
  209    HB3  PRO  29           HB1      PRO  29   3.873  10.883  -0.327
  210    HG2  PRO  29           HG2      PRO  29   3.011  13.316  -1.832
  211    HG3  PRO  29           HG1      PRO  29   4.265  12.136  -2.237
  212    HD2  PRO  29           HD2      PRO  29   1.690  12.227  -3.382
  213    HD3  PRO  29           HD1      PRO  29   2.813  10.849  -3.441
  214    H    THR  30           HN       THR  30  -0.166  12.327  -1.534
  215    HA   THR  30           HA       THR  30  -0.582  14.378   0.324
  216    HB   THR  30           HB       THR  30  -2.719  14.745  -0.750
  217    HG1  THR  30           HG1      THR  30  -2.372  12.112  -1.748
  218   HG21  THR  30          HG21      THR  30  -0.654  15.183  -2.061
  219   HG22  THR  30          HG22      THR  30  -2.006  14.722  -3.095
  220   HG23  THR  30          HG23      THR  30  -0.745  13.549  -2.718
  221    H    GLY  31           HN       GLY  31  -2.128  11.167   0.297
  222    HA2  GLY  31           HA2      GLY  31  -3.187  10.032   2.069
  223    HA3  GLY  31           HA1      GLY  31  -2.473  11.220   3.153
  224    H    GLY  32           HN       GLY  32  -3.907  13.313   1.288
  225    HA2  GLY  32           HA2      GLY  32  -6.434  13.288   2.863
  226    HA3  GLY  32           HA1      GLY  32  -5.778  14.677   1.996
  227    H    GLY  33           HN       GLY  33  -5.214  12.774  -0.305
  228    HA2  GLY  33           HA2      GLY  33  -7.722  11.776  -1.282
  229    HA3  GLY  33           HA1      GLY  33  -7.390  13.367  -1.973
  230    HA   PRO  34           HA       PRO  34  -3.573  10.842  -3.367
  231    HB2  PRO  34           HB2      PRO  34  -3.446   8.210  -2.470
  232    HB3  PRO  34           HB1      PRO  34  -2.617   9.561  -1.701
  233    HG2  PRO  34           HG2      PRO  34  -5.092   8.129  -0.858
  234    HG3  PRO  34           HG1      PRO  34  -3.888   8.965   0.138
  235    HD2  PRO  34           HD2      PRO  34  -6.401  10.007  -0.503
  236    HD3  PRO  34           HD1      PRO  34  -4.994  10.973  -0.007
  237    H    ARG  35           HN       ARG  35  -3.299   8.559  -4.684
  238    HA   ARG  35           HA       ARG  35  -5.334   8.497  -6.654
  239    HB2  ARG  35           HB2      ARG  35  -2.904   7.500  -6.676
  240    HB3  ARG  35           HB1      ARG  35  -3.664   6.054  -6.016
  241    HG2  ARG  35           HG2      ARG  35  -5.255   6.061  -7.942
  242    HG3  ARG  35           HG1      ARG  35  -4.368   7.423  -8.628
  243    HD2  ARG  35           HD2      ARG  35  -2.288   6.024  -8.578
  244    HD3  ARG  35           HD1      ARG  35  -3.268   4.653  -8.055
  245    HE   ARG  35           HE       ARG  35  -4.528   5.526 -10.364
  246   HH11  ARG  35          HH21      ARG  35  -1.328   4.636  -9.441
  247   HH12  ARG  35          HH22      ARG  35  -0.901   4.031 -11.007
  248   HH21  ARG  35          HH11      ARG  35  -3.989   4.744 -12.416
  249   HH22  ARG  35          HH12      ARG  35  -2.408   4.092 -12.692
  250    H    ARG  36           HN       ARG  36  -7.350   8.372  -5.467
  251    HA   ARG  36           HA       ARG  36  -7.994   6.327  -3.603
  252    HB2  ARG  36           HB2      ARG  36 -10.410   6.772  -4.546
  253    HB3  ARG  36           HB1      ARG  36  -9.569   8.064  -3.689
  254    HG2  ARG  36           HG2      ARG  36  -9.002   9.192  -5.680
  255    HG3  ARG  36           HG1      ARG  36  -9.294   7.766  -6.675
  256    HD2  ARG  36           HD2      ARG  36 -11.099   9.551  -6.799
  257    HD3  ARG  36           HD1      ARG  36 -11.671   7.938  -6.375
  258    HE   ARG  36           HE       ARG  36 -11.182   9.135  -3.922
  259   HH11  ARG  36          HH21      ARG  36 -12.969   9.892  -6.771
  260   HH12  ARG  36          HH22      ARG  36 -14.185  10.795  -5.930
  261   HH21  ARG  36          HH11      ARG  36 -12.760  10.310  -2.806
  262   HH22  ARG  36          HH12      ARG  36 -14.067  11.031  -3.686
  263    H    GLY  37           HN       GLY  37  -7.065   5.990  -6.758
  264    HA2  GLY  37           HA2      GLY  37  -8.880   3.933  -7.650
  265    HA3  GLY  37           HA1      GLY  37  -7.303   4.287  -8.352
  266    H    ILE  38           HN       ILE  38  -6.017   3.943  -5.606
  267    HA   ILE  38           HA       ILE  38  -5.946   0.966  -5.714
  268    HB   ILE  38           HB       ILE  38  -3.872   2.738  -5.848
  269   HG12  ILE  38          HG12      ILE  38  -3.436   0.530  -6.471
  270   HG13  ILE  38          HG11      ILE  38  -2.405   0.738  -5.075
  271   HG21  ILE  38          HG21      ILE  38  -3.927   1.853  -2.947
  272   HG22  ILE  38          HG22      ILE  38  -4.073   3.504  -3.540
  273   HG23  ILE  38          HG23      ILE  38  -2.572   2.622  -3.763
  274   HD11  ILE  38          HD11      ILE  38  -4.633  -0.209  -3.847
  275   HD12  ILE  38          HD12      ILE  38  -3.362  -1.247  -4.463
  276   HD13  ILE  38          HD13      ILE  38  -4.811  -0.984  -5.421
  277    H    VAL  39           HN       VAL  39  -5.796   3.523  -3.190
  278    HA   VAL  39           HA       VAL  39  -6.228   1.727  -1.037
  279    HB   VAL  39           HB       VAL  39  -7.158   4.598  -0.989
  280   HG11  VAL  39          HG11      VAL  39  -5.778   2.839   1.062
  281   HG12  VAL  39          HG12      VAL  39  -7.516   3.133   0.998
  282   HG13  VAL  39          HG13      VAL  39  -6.408   4.464   1.333
  283   HG21  VAL  39          HG21      VAL  39  -5.050   4.887  -1.978
  284   HG22  VAL  39          HG22      VAL  39  -4.351   3.490  -1.157
  285   HG23  VAL  39          HG23      VAL  39  -4.664   4.978  -0.262
  286    H    GLU  40           HN       GLU  40  -8.682   4.043  -2.299
  287    HA   GLU  40           HA       GLU  40 -10.844   2.898  -0.895
  288    HB2  GLU  40           HB2      GLU  40 -10.976   4.172  -3.639
  289    HB3  GLU  40           HB1      GLU  40 -12.303   4.015  -2.489
  290    HG2  GLU  40           HG2      GLU  40 -10.841   5.332  -0.848
  291    HG3  GLU  40           HG1      GLU  40  -9.815   5.711  -2.232
  292    H    GLN  41           HN       GLN  41  -9.703   2.124  -4.196
  293    HA   GLN  41           HA       GLN  41 -11.651   0.287  -4.954
  294    HB2  GLN  41           HB2      GLN  41  -9.626   0.989  -6.293
  295    HB3  GLN  41           HB1      GLN  41  -8.684  -0.186  -5.375
  296    HG2  GLN  41           HG2      GLN  41  -9.392  -1.287  -7.393
  297    HG3  GLN  41           HG1      GLN  41 -10.391  -1.931  -6.092
  298   HE21  GLN  41          HE21      GLN  41 -12.306  -2.358  -7.217
  299   HE22  GLN  41          HE22      GLN  41 -13.199  -1.172  -8.025
  300    H    CYS  42           HN       CYS  42  -8.649  -0.571  -3.194
  301    HA   CYS  42           HA       CYS  42  -9.761  -3.214  -2.571
  302    HB2  CYS  42           HB2      CYS  42  -7.175  -1.941  -1.646
  303    HB3  CYS  42           HB1      CYS  42  -7.608  -3.648  -1.555
  304    H    CYS  43           HN       CYS  43  -9.375  -0.139  -0.895
  305    HA   CYS  43           HA       CYS  43  -9.953  -1.344   1.728
  306    HB2  CYS  43           HB2      CYS  43  -8.499   0.675   1.587
  307    HB3  CYS  43           HB1      CYS  43  -9.862   1.586   0.932
  308    H    HIS  44           HN       HIS  44 -11.626   0.931  -0.469
  309    HA   HIS  44           HA       HIS  44 -14.091   0.826   1.034
  310    HB2  HIS  44           HB2      HIS  44 -13.315   2.632  -0.648
  311    HB3  HIS  44           HB1      HIS  44 -13.888   1.534  -1.899
  312    HD2  HIS  44           HD2      HIS  44 -15.342   4.444  -0.318
  313    HE1  HIS  44           HE1      HIS  44 -18.598   1.755  -0.344
  314    HE2  HIS  44           HE2      HIS  44 -17.918   4.188  -0.054
  315    H    SER  45           HN       SER  45 -12.680  -1.098  -1.527
  316    HA   SER  45           HA       SER  45 -15.035  -2.941  -1.369
  317    HB2  SER  45           HB2      SER  45 -13.657  -2.418  -4.001
  318    HB3  SER  45           HB1      SER  45 -15.237  -3.136  -3.704
  319    HG   SER  45           HG       SER  45 -14.990  -0.624  -2.667
  320    H    ILE  46           HN       ILE  46 -14.471  -5.158  -2.042
  321    HA   ILE  46           HA       ILE  46 -11.768  -5.866  -1.153
  322    HB   ILE  46           HB       ILE  46 -13.785  -7.808  -2.293
  323   HG12  ILE  46          HG12      ILE  46 -15.020  -6.314  -0.709
  324   HG13  ILE  46          HG11      ILE  46 -14.895  -7.970  -0.132
  325   HG21  ILE  46          HG21      ILE  46 -11.631  -8.721  -1.675
  326   HG22  ILE  46          HG22      ILE  46 -12.833  -9.240  -0.496
  327   HG23  ILE  46          HG23      ILE  46 -11.708  -7.946  -0.091
  328   HD11  ILE  46          HD11      ILE  46 -13.075  -5.701   0.724
  329   HD12  ILE  46          HD12      ILE  46 -13.028  -7.353   1.338
  330   HD13  ILE  46          HD13      ILE  46 -14.422  -6.330   1.665
  331    H    CYS  47           HN       CYS  47 -10.275  -5.314  -2.758
  332    HA   CYS  47           HA       CYS  47 -10.840  -6.074  -5.569
  333    HB2  CYS  47           HB2      CYS  47  -8.989  -4.736  -6.167
  334    HB3  CYS  47           HB1      CYS  47  -9.702  -3.868  -4.811
  335    H    SER  48           HN       SER  48  -9.488  -7.548  -6.729
  336    HA   SER  48           HA       SER  48  -8.353  -9.673  -5.026
  337    HB2  SER  48           HB2      SER  48  -8.158  -9.826  -8.007
  338    HB3  SER  48           HB1      SER  48  -8.612 -11.069  -6.847
  339    HG   SER  48           HG       SER  48 -10.442 -10.445  -7.949
  340    H    LEU  49           HN       LEU  49  -6.175 -10.587  -5.736
  341    HA   LEU  49           HA       LEU  49  -4.134  -8.648  -5.462
  342    HB2  LEU  49           HB2      LEU  49  -3.816 -11.335  -6.822
  343    HB3  LEU  49           HB1      LEU  49  -2.575 -10.419  -5.973
  344    HG   LEU  49           HG       LEU  49  -4.960 -11.862  -4.797
  345   HD11  LEU  49          HD11      LEU  49  -3.245 -12.947  -3.431
  346   HD12  LEU  49          HD12      LEU  49  -2.001 -11.905  -4.122
  347   HD13  LEU  49          HD13      LEU  49  -2.812 -13.101  -5.134
  348   HD21  LEU  49          HD21      LEU  49  -4.997  -9.790  -3.610
  349   HD22  LEU  49          HD22      LEU  49  -3.238  -9.703  -3.590
  350   HD23  LEU  49          HD23      LEU  49  -4.071 -10.894  -2.593
  351    H    TYR  50           HN       TYR  50  -5.660 -10.046  -8.274
  352    HA   TYR  50           HA       TYR  50  -4.060  -9.358 -10.385
  353    HB2  TYR  50           HB2      TYR  50  -6.489 -10.343 -10.213
  354    HB3  TYR  50           HB1      TYR  50  -6.997  -8.669 -10.440
  355    HD1  TYR  50           HD2      TYR  50  -5.092 -11.450 -11.845
  356    HD2  TYR  50           HD1      TYR  50  -6.760  -7.583 -12.543
  357    HE1  TYR  50           HE2      TYR  50  -4.659 -11.721 -14.286
  358    HE2  TYR  50           HE1      TYR  50  -6.338  -7.822 -14.984
  359    HH   TYR  50           HH       TYR  50  -5.909  -9.439 -16.624
  360    H    GLN  51           HN       GLN  51  -6.531  -7.239  -8.984
  361    HA   GLN  51           HA       GLN  51  -5.798  -4.904 -10.450
  362    HB2  GLN  51           HB2      GLN  51  -6.904  -4.821  -7.636
  363    HB3  GLN  51           HB1      GLN  51  -7.198  -3.711  -8.971
  364    HG2  GLN  51           HG2      GLN  51  -8.240  -5.687 -10.220
  365    HG3  GLN  51           HG1      GLN  51  -8.215  -6.538  -8.680
  366   HE21  GLN  51          HE21      GLN  51  -9.148  -3.252  -9.819
  367   HE22  GLN  51          HE22      GLN  51 -10.607  -3.205  -8.956
  368    H    LEU  52           HN       LEU  52  -4.739  -6.108  -7.281
  369    HA   LEU  52           HA       LEU  52  -3.061  -3.887  -6.680
  370    HB2  LEU  52           HB2      LEU  52  -2.804  -6.787  -5.880
  371    HB3  LEU  52           HB1      LEU  52  -1.883  -5.469  -5.163
  372    HG   LEU  52           HG       LEU  52  -4.906  -5.742  -5.134
  373   HD11  LEU  52          HD11      LEU  52  -2.880  -5.858  -2.890
  374   HD12  LEU  52          HD12      LEU  52  -3.624  -7.268  -3.649
  375   HD13  LEU  52          HD13      LEU  52  -4.620  -6.114  -2.764
  376   HD21  LEU  52          HD21      LEU  52  -4.666  -3.436  -5.042
  377   HD22  LEU  52          HD22      LEU  52  -3.035  -3.530  -4.395
  378   HD23  LEU  52          HD23      LEU  52  -4.419  -3.799  -3.334
  379    H    GLU  53           HN       GLU  53  -2.677  -6.723  -8.646
  380    HA   GLU  53           HA       GLU  53   0.154  -6.431  -9.072
  381    HB2  GLU  53           HB2      GLU  53  -1.831  -8.328  -9.701
  382    HB3  GLU  53           HB1      GLU  53  -1.322  -7.727 -11.277
  383    HG2  GLU  53           HG2      GLU  53   1.120  -8.122 -10.245
  384    HG3  GLU  53           HG1      GLU  53   0.247  -9.250  -9.209
  385    H    ASN  54           HN       ASN  54  -2.498  -4.643  -9.989
  386    HA   ASN  54           HA       ASN  54  -1.623  -3.790 -12.622
  387    HB2  ASN  54           HB2      ASN  54  -4.010  -3.728 -11.535
  388    HB3  ASN  54           HB1      ASN  54  -3.476  -2.198 -10.839
  389   HD21  ASN  54          HD21      ASN  54  -5.588  -2.457 -12.831
  390   HD22  ASN  54          HD22      ASN  54  -5.070  -1.641 -14.224
  391    H    TYR  55           HN       TYR  55  -1.058  -2.755  -9.322
  392    HA   TYR  55           HA       TYR  55   0.366  -0.308 -10.279
  393    HB2  TYR  55           HB2      TYR  55  -0.146  -1.087  -7.407
  394    HB3  TYR  55           HB1      TYR  55   0.167   0.513  -8.067
  395    HD1  TYR  55           HD2      TYR  55  -2.282  -2.211  -7.856
  396    HD2  TYR  55           HD1      TYR  55  -1.576   1.822  -9.063
  397    HE1  TYR  55           HE2      TYR  55  -4.738  -1.893  -8.169
  398    HE2  TYR  55           HE1      TYR  55  -4.015   2.160  -9.388
  399    HH   TYR  55           HH       TYR  55  -6.297   0.414  -8.116
  400    H    CYS  56           HN       CYS  56   1.156  -3.444  -9.918
  401    HA   CYS  56           HA       CYS  56   3.563  -3.150  -8.273
  402    HB2  CYS  56           HB2      CYS  56   2.511  -5.374 -10.033
  403    HB3  CYS  56           HB1      CYS  56   4.060  -5.468  -9.206
  404    H    ASN  57           HN       ASN  57   5.225  -1.961  -9.097
  405    HA   ASN  57           HA       ASN  57   6.742  -1.076 -10.662
  406    HB2  ASN  57           HB2      ASN  57   7.576  -3.384 -10.549
  407    HB3  ASN  57           HB1      ASN  57   6.406  -3.878 -11.772
  408   HD21  ASN  57          HD21      ASN  57   8.146  -0.784 -11.872
  409   HD22  ASN  57          HD22      ASN  57   9.061  -1.147 -13.255
  Start of MODEL    2
    1    H1   PHE   1           HT1      PHE   1  -6.609 -12.860   2.761
    2    H2   PHE   1           HT2      PHE   1  -5.464 -11.926   3.598
    3    H3   PHE   1           HT3      PHE   1  -4.976 -13.316   2.753
    4    HA   PHE   1           HA       PHE   1  -5.667 -10.664   1.746
    5    HB2  PHE   1           HB2      PHE   1  -3.334 -11.721   2.027
    6    HB3  PHE   1           HB1      PHE   1  -3.741 -12.742   0.659
    7    HD1  PHE   1           HD2      PHE   1  -5.426  -9.897  -0.277
    8    HD2  PHE   1           HD1      PHE   1  -1.415 -11.218   0.449
    9    HE1  PHE   1           HE2      PHE   1  -4.580  -8.158  -1.757
   10    HE2  PHE   1           HE1      PHE   1  -0.567  -9.459  -1.042
   11    HZ   PHE   1           HZ       PHE   1  -2.140  -7.921  -2.150
   12    H    VAL   2           HN       VAL   2  -7.659 -12.861   1.685
   13    HA   VAL   2           HA       VAL   2  -7.756 -13.587  -1.205
   14    HB   VAL   2           HB       VAL   2  -9.792 -14.969  -0.217
   15   HG11  VAL   2          HG11      VAL   2  -6.864 -15.553   0.273
   16   HG12  VAL   2          HG12      VAL   2  -7.852 -16.082  -1.089
   17   HG13  VAL   2          HG13      VAL   2  -8.142 -16.744   0.520
   18   HG21  VAL   2          HG21      VAL   2  -8.108 -14.748   2.280
   19   HG22  VAL   2          HG22      VAL   2  -9.748 -15.371   2.104
   20   HG23  VAL   2          HG23      VAL   2  -9.451 -13.637   2.013
   21    H    ASN   3           HN       ASN   3 -10.627 -13.334   0.754
   22    HA   ASN   3           HA       ASN   3 -11.710 -11.297  -1.132
   23    HB2  ASN   3           HB2      ASN   3 -13.240 -12.955   0.886
   24    HB3  ASN   3           HB1      ASN   3 -13.894 -12.056  -0.481
   25   HD21  ASN   3          HD21      ASN   3 -14.260 -13.289  -2.314
   26   HD22  ASN   3          HD22      ASN   3 -13.486 -14.756  -2.678
   27    H    GLN   4           HN       GLN   4  -9.934 -10.740   1.223
   28    HA   GLN   4           HA       GLN   4 -11.772  -9.232   3.007
   29    HB2  GLN   4           HB2      GLN   4  -9.367  -8.741   4.092
   30    HB3  GLN   4           HB1      GLN   4 -10.226 -10.247   4.387
   31    HG2  GLN   4           HG2      GLN   4  -8.967 -11.358   2.596
   32    HG3  GLN   4           HG1      GLN   4  -8.134  -9.846   2.229
   33   HE21  GLN   4          HE21      GLN   4  -7.887 -12.708   4.007
   34   HE22  GLN   4          HE22      GLN   4  -6.697 -12.219   5.111
   35    H    HIS   5           HN       HIS   5 -11.239  -6.970   3.493
   36    HA   HIS   5           HA       HIS   5 -10.471  -5.514   1.021
   37    HB2  HIS   5           HB2      HIS   5 -11.353  -3.536   2.524
   38    HB3  HIS   5           HB1      HIS   5 -12.502  -4.663   1.812
   39    HD2  HIS   5           HD2      HIS   5 -11.407  -3.468   5.306
   40    HE1  HIS   5           HE1      HIS   5 -13.805  -6.893   5.908
   41    HE2  HIS   5           HE2      HIS   5 -12.668  -4.927   7.050
   42    H    LEU   6           HN       LEU   6  -8.683  -4.237   0.903
   43    HA   LEU   6           HA       LEU   6  -6.799  -4.242   3.212
   44    HB2  LEU   6           HB2      LEU   6  -6.557  -3.908   0.240
   45    HB3  LEU   6           HB1      LEU   6  -5.356  -3.145   1.247
   46    HG   LEU   6           HG       LEU   6  -4.425  -5.155   1.938
   47   HD11  LEU   6          HD11      LEU   6  -6.088  -6.364   3.015
   48   HD12  LEU   6          HD12      LEU   6  -5.781  -7.379   1.615
   49   HD13  LEU   6          HD13      LEU   6  -7.174  -6.304   1.629
   50   HD21  LEU   6          HD21      LEU   6  -4.437  -6.721  -0.003
   51   HD22  LEU   6          HD22      LEU   6  -4.111  -5.063  -0.464
   52   HD23  LEU   6          HD23      LEU   6  -5.704  -5.773  -0.741
   53    H    CYS   7           HN       CYS   7  -6.291  -2.350   4.261
   54    HA   CYS   7           HA       CYS   7  -6.931   0.243   3.010
   55    HB2  CYS   7           HB2      CYS   7  -8.900  -0.849   4.497
   56    HB3  CYS   7           HB1      CYS   7  -7.991  -0.072   5.790
   57    H    GLY   8           HN       GLY   8  -5.250   1.563   3.430
   58    HA2  GLY   8           HA2      GLY   8  -3.467   2.577   4.593
   59    HA3  GLY   8           HA1      GLY   8  -4.039   1.773   6.054
   60    H    SER   9           HN       SER   9  -1.972   1.083   6.716
   61    HA   SER   9           HA       SER   9   0.085  -0.064   5.248
   62    HB2  SER   9           HB2      SER   9  -0.840  -1.136   7.924
   63    HB3  SER   9           HB1      SER   9   0.795  -1.166   7.269
   64    HG   SER   9           HG       SER   9   0.699   0.574   8.617
   65    H    ASP  10           HN       ASP  10  -2.970  -1.592   6.175
   66    HA   ASP  10           HA       ASP  10  -2.402  -4.291   5.719
   67    HB2  ASP  10           HB2      ASP  10  -4.822  -2.581   5.224
   68    HB3  ASP  10           HB1      ASP  10  -4.844  -4.250   4.670
   69    H    LEU  11           HN       LEU  11  -3.323  -1.851   3.282
   70    HA   LEU  11           HA       LEU  11  -3.117  -3.517   1.011
   71    HB2  LEU  11           HB2      LEU  11  -4.086  -1.288   0.813
   72    HB3  LEU  11           HB1      LEU  11  -2.577  -0.546   1.325
   73    HG   LEU  11           HG       LEU  11  -1.465  -1.263  -0.705
   74   HD11  LEU  11          HD11      LEU  11  -2.378  -3.414  -1.117
   75   HD12  LEU  11          HD12      LEU  11  -2.868  -2.409  -2.467
   76   HD13  LEU  11          HD13      LEU  11  -4.021  -2.778  -1.192
   77   HD21  LEU  11          HD21      LEU  11  -2.784  -0.076  -2.401
   78   HD22  LEU  11          HD22      LEU  11  -2.840   0.793  -0.867
   79   HD23  LEU  11          HD23      LEU  11  -4.216  -0.186  -1.378
   80    H    VAL  12           HN       VAL  12  -0.621  -1.378   2.431
   81    HA   VAL  12           HA       VAL  12   1.492  -1.923   0.696
   82    HB   VAL  12           HB       VAL  12   1.797  -1.773   3.706
   83   HG11  VAL  12          HG11      VAL  12   3.782  -2.313   2.135
   84   HG12  VAL  12          HG12      VAL  12   3.981  -0.971   3.258
   85   HG13  VAL  12          HG13      VAL  12   3.611  -0.654   1.564
   86   HG21  VAL  12          HG21      VAL  12   1.912   0.683   3.373
   87   HG22  VAL  12          HG22      VAL  12   0.331   0.046   2.925
   88   HG23  VAL  12          HG23      VAL  12   1.501   0.459   1.675
   89    H    GLU  13           HN       GLU  13   1.123  -3.642   3.822
   90    HA   GLU  13           HA       GLU  13   2.957  -5.689   3.361
   91    HB2  GLU  13           HB2      GLU  13   0.257  -6.116   4.668
   92    HB3  GLU  13           HB1      GLU  13   1.746  -7.009   4.978
   93    HG2  GLU  13           HG2      GLU  13   2.789  -4.825   5.722
   94    HG3  GLU  13           HG1      GLU  13   1.181  -4.106   5.628
   95    H    ALA  14           HN       ALA  14  -0.228  -5.281   1.968
   96    HA   ALA  14           HA       ALA  14  -0.311  -7.998   0.892
   97    HB1  ALA  14           HB1      ALA  14  -2.135  -6.314  -0.524
   98    HB2  ALA  14           HB2      ALA  14  -2.132  -5.775   1.149
   99    HB3  ALA  14           HB3      ALA  14  -2.496  -7.455   0.774
  100    H    LEU  15           HN       LEU  15   0.081  -4.738  -0.635
  101    HA   LEU  15           HA       LEU  15   0.641  -5.679  -3.213
  102    HB2  LEU  15           HB2      LEU  15   1.751  -3.303  -1.726
  103    HB3  LEU  15           HB1      LEU  15   2.213  -3.646  -3.389
  104    HG   LEU  15           HG       LEU  15  -0.717  -3.529  -2.682
  105   HD11  LEU  15          HD11      LEU  15  -0.809  -1.165  -2.983
  106   HD12  LEU  15          HD12      LEU  15   0.860  -1.089  -3.541
  107   HD13  LEU  15          HD13      LEU  15   0.513  -1.413  -1.847
  108   HD21  LEU  15          HD21      LEU  15  -0.931  -2.869  -5.010
  109   HD22  LEU  15          HD22      LEU  15   0.092  -4.299  -4.940
  110   HD23  LEU  15          HD23      LEU  15   0.814  -2.712  -5.168
  111    H    TYR  16           HN       TYR  16   2.734  -5.535  -0.374
  112    HA   TYR  16           HA       TYR  16   5.231  -6.021  -1.510
  113    HB2  TYR  16           HB2      TYR  16   4.957  -5.670   0.875
  114    HB3  TYR  16           HB1      TYR  16   4.086  -7.192   1.031
  115    HD1  TYR  16           HD2      TYR  16   7.310  -5.935  -0.447
  116    HD2  TYR  16           HD1      TYR  16   5.325  -9.016   1.782
  117    HE1  TYR  16           HE2      TYR  16   9.466  -7.131  -0.182
  118    HE2  TYR  16           HE1      TYR  16   7.479 -10.217   2.049
  119    HH   TYR  16           HH       TYR  16   9.683 -10.120   1.739
  120    H    LEU  17           HN       LEU  17   2.818  -8.560  -0.646
  121    HA   LEU  17           HA       LEU  17   4.442 -10.692  -1.734
  122    HB2  LEU  17           HB2      LEU  17   1.420 -10.596  -1.456
  123    HB3  LEU  17           HB1      LEU  17   2.387 -12.030  -1.725
  124    HG   LEU  17           HG       LEU  17   3.590 -11.509   0.453
  125   HD11  LEU  17          HD11      LEU  17   3.136  -9.309   1.028
  126   HD12  LEU  17          HD12      LEU  17   1.915 -10.124   1.990
  127   HD13  LEU  17          HD13      LEU  17   1.475  -9.375   0.460
  128   HD21  LEU  17          HD21      LEU  17   1.515 -12.268   1.824
  129   HD22  LEU  17          HD22      LEU  17   2.043 -13.304   0.498
  130   HD23  LEU  17          HD23      LEU  17   0.659 -12.236   0.283
  131    H    VAL  18           HN       VAL  18   1.629  -8.918  -2.980
  132    HA   VAL  18           HA       VAL  18   1.389 -10.095  -5.500
  133    HB   VAL  18           HB       VAL  18   1.092  -7.155  -4.859
  134   HG11  VAL  18          HG11      VAL  18   1.043  -7.583  -7.214
  135   HG12  VAL  18          HG12      VAL  18  -0.591  -7.244  -6.668
  136   HG13  VAL  18          HG13      VAL  18  -0.097  -8.903  -7.002
  137   HG21  VAL  18          HG21      VAL  18  -1.244  -7.683  -4.382
  138   HG22  VAL  18          HG22      VAL  18  -0.192  -8.617  -3.320
  139   HG23  VAL  18          HG23      VAL  18  -0.942  -9.385  -4.717
  140    H    CYS  19           HN       CYS  19   3.215  -7.104  -4.823
  141    HA   CYS  19           HA       CYS  19   4.523  -7.187  -7.416
  142    HB2  CYS  19           HB2      CYS  19   5.308  -5.548  -5.004
  143    HB3  CYS  19           HB1      CYS  19   5.626  -5.187  -6.696
  144    H    GLY  20           HN       GLY  20   5.213  -8.425  -4.255
  145    HA2  GLY  20           HA2      GLY  20   7.071  -9.578  -3.403
  146    HA3  GLY  20           HA1      GLY  20   7.223 -10.187  -5.048
  147    H    GLU  21           HN       GLU  21   9.316  -9.966  -5.629
  148    HA   GLU  21           HA       GLU  21  11.057  -7.922  -4.547
  149    HB2  GLU  21           HB2      GLU  21  11.391  -9.869  -6.842
  150    HB3  GLU  21           HB1      GLU  21  12.677  -8.819  -6.247
  151    HG2  GLU  21           HG2      GLU  21  12.467  -9.828  -4.006
  152    HG3  GLU  21           HG1      GLU  21  11.176 -10.873  -4.597
  153    H    ARG  22           HN       ARG  22   8.869  -7.980  -7.208
  154    HA   ARG  22           HA       ARG  22  10.146  -6.278  -9.059
  155    HB2  ARG  22           HB2      ARG  22   7.213  -6.193  -8.293
  156    HB3  ARG  22           HB1      ARG  22   7.916  -5.621  -9.804
  157    HG2  ARG  22           HG2      ARG  22   8.655  -7.921 -10.327
  158    HG3  ARG  22           HG1      ARG  22   7.930  -8.490  -8.823
  159    HD2  ARG  22           HD2      ARG  22   6.256  -8.923 -10.431
  160    HD3  ARG  22           HD1      ARG  22   5.744  -7.398  -9.708
  161    HE   ARG  22           HE       ARG  22   7.313  -6.621 -11.859
  162   HH11  ARG  22          HH21      ARG  22   4.608  -8.699 -11.352
  163   HH12  ARG  22          HH22      ARG  22   3.940  -8.434 -12.928
  164   HH21  ARG  22          HH11      ARG  22   6.454  -6.263 -13.920
  165   HH22  ARG  22          HH12      ARG  22   4.985  -7.056 -14.381
  166    H    GLY  23           HN       GLY  23   8.711  -5.559  -5.945
  167    HA2  GLY  23           HA2      GLY  23   8.945  -3.599  -4.654
  168    HA3  GLY  23           HA1      GLY  23   9.936  -2.911  -5.946
  169    H    PHE  24           HN       PHE  24   7.750  -1.512  -4.599
  170    HA   PHE  24           HA       PHE  24   6.233  -0.778  -7.002
  171    HB2  PHE  24           HB2      PHE  24   4.051  -1.194  -6.053
  172    HB3  PHE  24           HB1      PHE  24   4.979  -2.688  -5.998
  173    HD1  PHE  24           HD1      PHE  24   5.839  -3.575  -3.889
  174    HD2  PHE  24           HD2      PHE  24   3.539   0.055  -3.994
  175    HE1  PHE  24           HE1      PHE  24   5.519  -3.704  -1.434
  176    HE2  PHE  24           HE2      PHE  24   3.213  -0.088  -1.537
  177    HZ   PHE  24           HZ       PHE  24   4.204  -1.960  -0.264
  178    H    PHE  25           HN       PHE  25   4.639   0.989  -6.410
  179    HA   PHE  25           HA       PHE  25   5.855   2.814  -4.368
  180    HB2  PHE  25           HB2      PHE  25   4.928   4.643  -5.849
  181    HB3  PHE  25           HB1      PHE  25   6.207   3.689  -6.602
  182    HD1  PHE  25           HD1      PHE  25   2.570   4.363  -6.537
  183    HD2  PHE  25           HD2      PHE  25   5.728   2.131  -8.412
  184    HE1  PHE  25           HE1      PHE  25   1.024   3.726  -8.378
  185    HE2  PHE  25           HE2      PHE  25   4.188   1.499 -10.251
  186    HZ   PHE  25           HZ       PHE  25   1.840   2.296 -10.233
  187    H    TYR  26           HN       TYR  26   4.485   3.382  -2.725
  188    HA   TYR  26           HA       TYR  26   1.757   2.433  -2.710
  189    HB2  TYR  26           HB2      TYR  26   3.284   3.021  -0.661
  190    HB3  TYR  26           HB1      TYR  26   2.727   4.675  -0.922
  191    HD1  TYR  26           HD1      TYR  26   1.352   1.186  -0.736
  192    HD2  TYR  26           HD2      TYR  26   0.734   5.345   0.158
  193    HE1  TYR  26           HE1      TYR  26  -0.779   0.646   0.410
  194    HE2  TYR  26           HE2      TYR  26  -1.384   4.787   1.309
  195    HH   TYR  26           HH       TYR  26  -2.466   2.916   2.357
  196    H    THR  27           HN       THR  27  -0.076   4.192  -2.329
  197    HA   THR  27           HA       THR  27  -0.197   5.709  -4.740
  198    HB   THR  27           HB       THR  27  -2.207   4.969  -3.547
  199    HG1  THR  27           HG1      THR  27  -1.829   7.173  -4.726
  200   HG21  THR  27          HG21      THR  27  -2.933   6.276  -1.524
  201   HG22  THR  27          HG22      THR  27  -1.312   6.963  -1.446
  202   HG23  THR  27          HG23      THR  27  -1.547   5.231  -1.249
  203    H    ASP  28           HN       ASP  28  -0.688   8.216  -4.587
  204    HA   ASP  28           HA       ASP  28   1.641   9.563  -4.183
  205    HB2  ASP  28           HB2      ASP  28  -1.019  10.288  -4.743
  206    HB3  ASP  28           HB1      ASP  28  -0.564  11.318  -3.388
  207    HA   PRO  29           HA       PRO  29   2.253   9.835   0.248
  208    HB2  PRO  29           HB2      PRO  29   3.888  12.068   0.362
  209    HB3  PRO  29           HB1      PRO  29   4.448  10.471  -0.154
  210    HG2  PRO  29           HG2      PRO  29   3.855  12.881  -1.813
  211    HG3  PRO  29           HG1      PRO  29   4.992  11.561  -2.123
  212    HD2  PRO  29           HD2      PRO  29   2.458  11.844  -3.329
  213    HD3  PRO  29           HD1      PRO  29   3.441  10.363  -3.294
  214    H    THR  30           HN       THR  30   0.601  12.215  -1.537
  215    HA   THR  30           HA       THR  30   0.313  14.375   0.220
  216    HB   THR  30           HB       THR  30  -1.745  14.884  -0.949
  217    HG1  THR  30           HG1      THR  30  -1.736  12.136  -1.265
  218   HG21  THR  30          HG21      THR  30  -0.956  14.692  -3.268
  219   HG22  THR  30          HG22      THR  30   0.198  13.450  -2.784
  220   HG23  THR  30          HG23      THR  30   0.384  15.103  -2.198
  221    H    GLY  31           HN       GLY  31  -1.516  11.315   0.260
  222    HA2  GLY  31           HA2      GLY  31  -2.739  10.361   2.034
  223    HA3  GLY  31           HA1      GLY  31  -1.970  11.535   3.094
  224    H    GLY  32           HN       GLY  32  -3.138  13.644   1.064
  225    HA2  GLY  32           HA2      GLY  32  -5.712  13.925   2.531
  226    HA3  GLY  32           HA1      GLY  32  -4.907  15.200   1.614
  227    H    GLY  33           HN       GLY  33  -4.425  13.207  -0.583
  228    HA2  GLY  33           HA2      GLY  33  -6.970  12.321  -1.593
  229    HA3  GLY  33           HA1      GLY  33  -6.502  13.851  -2.344
  230    HA   PRO  34           HA       PRO  34  -2.862  11.000  -3.497
  231    HB2  PRO  34           HB2      PRO  34  -2.821   8.458  -2.416
  232    HB3  PRO  34           HB1      PRO  34  -2.046   9.848  -1.663
  233    HG2  PRO  34           HG2      PRO  34  -4.619   8.500  -0.960
  234    HG3  PRO  34           HG1      PRO  34  -3.447   9.301   0.103
  235    HD2  PRO  34           HD2      PRO  34  -5.850  10.452  -0.725
  236    HD3  PRO  34           HD1      PRO  34  -4.426  11.362  -0.175
  237    H    ARG  35           HN       ARG  35  -2.668   8.626  -4.674
  238    HA   ARG  35           HA       ARG  35  -4.781   8.517  -6.598
  239    HB2  ARG  35           HB2      ARG  35  -2.325   7.581  -6.709
  240    HB3  ARG  35           HB1      ARG  35  -3.018   6.135  -5.985
  241    HG2  ARG  35           HG2      ARG  35  -4.703   6.082  -7.831
  242    HG3  ARG  35           HG1      ARG  35  -3.848   7.416  -8.601
  243    HD2  ARG  35           HD2      ARG  35  -1.743   5.825  -8.285
  244    HD3  ARG  35           HD1      ARG  35  -2.967   4.557  -8.231
  245    HE   ARG  35           HE       ARG  35  -1.995   5.821 -10.583
  246   HH11  ARG  35          HH21      ARG  35  -5.015   5.030  -9.102
  247   HH12  ARG  35          HH22      ARG  35  -5.915   5.190 -10.568
  248   HH21  ARG  35          HH11      ARG  35  -3.158   6.006 -12.493
  249   HH22  ARG  35          HH12      ARG  35  -4.868   5.733 -12.485
  250    H    ARG  36           HN       ARG  36  -6.707   8.396  -5.258
  251    HA   ARG  36           HA       ARG  36  -7.176   6.377  -3.318
  252    HB2  ARG  36           HB2      ARG  36  -9.657   6.772  -4.074
  253    HB3  ARG  36           HB1      ARG  36  -8.771   8.098  -3.322
  254    HG2  ARG  36           HG2      ARG  36  -8.389   9.183  -5.378
  255    HG3  ARG  36           HG1      ARG  36  -8.726   7.726  -6.312
  256    HD2  ARG  36           HD2      ARG  36 -11.083   7.856  -5.796
  257    HD3  ARG  36           HD1      ARG  36 -10.808   9.161  -4.641
  258    HE   ARG  36           HE       ARG  36  -9.821  10.168  -7.027
  259   HH11  ARG  36          HH21      ARG  36 -12.761   8.737  -5.934
  260   HH12  ARG  36          HH22      ARG  36 -13.758   9.618  -7.044
  261   HH21  ARG  36          HH11      ARG  36 -11.107  11.328  -8.483
  262   HH22  ARG  36          HH12      ARG  36 -12.821  11.084  -8.486
  263    H    GLY  37           HN       GLY  37  -7.238   6.353  -6.795
  264    HA2  GLY  37           HA2      GLY  37  -8.772   4.191  -7.513
  265    HA3  GLY  37           HA1      GLY  37  -7.205   4.503  -8.252
  266    H    ILE  38           HN       ILE  38  -5.921   4.057  -5.480
  267    HA   ILE  38           HA       ILE  38  -5.900   1.084  -5.701
  268    HB   ILE  38           HB       ILE  38  -3.792   2.804  -5.729
  269   HG12  ILE  38          HG12      ILE  38  -3.338   0.605  -6.356
  270   HG13  ILE  38          HG11      ILE  38  -2.385   0.767  -4.900
  271   HG21  ILE  38          HG21      ILE  38  -2.567   2.671  -3.607
  272   HG22  ILE  38          HG22      ILE  38  -3.945   1.901  -2.837
  273   HG23  ILE  38          HG23      ILE  38  -4.072   3.559  -3.422
  274   HD11  ILE  38          HD11      ILE  38  -3.407  -1.235  -4.427
  275   HD12  ILE  38          HD12      ILE  38  -4.825  -0.884  -5.403
  276   HD13  ILE  38          HD13      ILE  38  -4.657  -0.177  -3.797
  277    H    VAL  39           HN       VAL  39  -5.821   3.580  -3.130
  278    HA   VAL  39           HA       VAL  39  -6.315   1.750  -1.017
  279    HB   VAL  39           HB       VAL  39  -7.204   4.635  -0.980
  280   HG11  VAL  39          HG11      VAL  39  -7.647   2.990   0.938
  281   HG12  VAL  39          HG12      VAL  39  -6.794   4.474   1.362
  282   HG13  VAL  39          HG13      VAL  39  -5.900   2.965   1.178
  283   HG21  VAL  39          HG21      VAL  39  -4.735   4.911  -0.069
  284   HG22  VAL  39          HG22      VAL  39  -5.026   4.918  -1.805
  285   HG23  VAL  39          HG23      VAL  39  -4.423   3.458  -1.020
  286    H    GLU  40           HN       GLU  40  -8.735   4.097  -2.310
  287    HA   GLU  40           HA       GLU  40 -10.899   2.889  -0.951
  288    HB2  GLU  40           HB2      GLU  40 -12.326   4.274  -2.191
  289    HB3  GLU  40           HB1      GLU  40 -10.804   5.157  -2.174
  290    HG2  GLU  40           HG2      GLU  40 -11.402   5.278  -4.433
  291    HG3  GLU  40           HG1      GLU  40 -10.331   3.883  -4.408
  292    H    GLN  41           HN       GLN  41  -9.656   2.190  -4.215
  293    HA   GLN  41           HA       GLN  41 -11.670   0.469  -5.115
  294    HB2  GLN  41           HB2      GLN  41  -9.572   1.135  -6.366
  295    HB3  GLN  41           HB1      GLN  41  -8.705  -0.102  -5.453
  296    HG2  GLN  41           HG2      GLN  41  -9.368  -1.159  -7.488
  297    HG3  GLN  41           HG1      GLN  41 -10.507  -1.736  -6.276
  298   HE21  GLN  41          HE21      GLN  41 -12.421  -1.958  -7.424
  299   HE22  GLN  41          HE22      GLN  41 -13.130  -0.722  -8.334
  300    H    CYS  42           HN       CYS  42  -8.767  -0.509  -3.279
  301    HA   CYS  42           HA       CYS  42  -9.953  -3.138  -2.750
  302    HB2  CYS  42           HB2      CYS  42  -7.356  -1.897  -1.809
  303    HB3  CYS  42           HB1      CYS  42  -7.824  -3.583  -1.609
  304    H    CYS  43           HN       CYS  43  -9.606  -0.090  -1.003
  305    HA   CYS  43           HA       CYS  43 -10.218  -1.360   1.583
  306    HB2  CYS  43           HB2      CYS  43  -8.768   0.638   1.545
  307    HB3  CYS  43           HB1      CYS  43 -10.083   1.579   0.834
  308    H    HIS  44           HN       HIS  44 -11.885   0.974  -0.561
  309    HA   HIS  44           HA       HIS  44 -14.349   0.840   0.929
  310    HB2  HIS  44           HB2      HIS  44 -13.625   2.673  -0.711
  311    HB3  HIS  44           HB1      HIS  44 -14.099   1.564  -1.998
  312    HD2  HIS  44           HD2      HIS  44 -16.936   0.980  -2.073
  313    HE1  HIS  44           HE1      HIS  44 -18.005   4.094   0.574
  314    HE2  HIS  44           HE2      HIS  44 -18.891   2.375  -1.076
  315    H    SER  45           HN       SER  45 -12.956  -1.041  -1.684
  316    HA   SER  45           HA       SER  45 -15.290  -2.911  -1.495
  317    HB2  SER  45           HB2      SER  45 -13.986  -2.304  -4.147
  318    HB3  SER  45           HB1      SER  45 -15.536  -3.080  -3.832
  319    HG   SER  45           HG       SER  45 -16.429  -1.181  -3.691
  320    H    ILE  46           HN       ILE  46 -14.735  -5.110  -2.155
  321    HA   ILE  46           HA       ILE  46 -12.019  -5.824  -1.364
  322    HB   ILE  46           HB       ILE  46 -14.062  -7.710  -2.558
  323   HG12  ILE  46          HG12      ILE  46 -15.119  -6.254  -0.732
  324   HG13  ILE  46          HG11      ILE  46 -15.154  -7.986  -0.455
  325   HG21  ILE  46          HG21      ILE  46 -12.991  -9.274  -0.939
  326   HG22  ILE  46          HG22      ILE  46 -11.848  -8.002  -0.511
  327   HG23  ILE  46          HG23      ILE  46 -11.877  -8.650  -2.150
  328   HD11  ILE  46          HD11      ILE  46 -14.260  -6.133   1.364
  329   HD12  ILE  46          HD12      ILE  46 -12.746  -6.673   0.644
  330   HD13  ILE  46          HD13      ILE  46 -13.836  -7.841   1.382
  331    H    CYS  47           HN       CYS  47 -10.352  -5.817  -2.799
  332    HA   CYS  47           HA       CYS  47 -10.964  -6.215  -5.714
  333    HB2  CYS  47           HB2      CYS  47  -9.065  -4.884  -6.220
  334    HB3  CYS  47           HB1      CYS  47  -9.891  -4.025  -4.923
  335    H    SER  48           HN       SER  48  -9.438  -7.501  -6.934
  336    HA   SER  48           HA       SER  48  -8.382  -9.766  -5.356
  337    HB2  SER  48           HB2      SER  48  -7.839 -10.586  -7.782
  338    HB3  SER  48           HB1      SER  48  -9.518 -10.529  -7.261
  339    HG   SER  48           HG       SER  48  -8.795  -8.134  -8.204
  340    H    LEU  49           HN       LEU  49  -6.177 -10.595  -5.996
  341    HA   LEU  49           HA       LEU  49  -4.165  -8.640  -5.530
  342    HB2  LEU  49           HB2      LEU  49  -3.781 -11.305  -6.917
  343    HB3  LEU  49           HB1      LEU  49  -2.578 -10.406  -6.002
  344    HG   LEU  49           HG       LEU  49  -5.022 -11.846  -4.950
  345   HD11  LEU  49          HD11      LEU  49  -2.966 -13.177  -5.178
  346   HD12  LEU  49          HD12      LEU  49  -3.323 -12.901  -3.472
  347   HD13  LEU  49          HD13      LEU  49  -2.065 -11.960  -4.273
  348   HD21  LEU  49          HD21      LEU  49  -3.327  -9.722  -3.645
  349   HD22  LEU  49          HD22      LEU  49  -4.195 -10.927  -2.695
  350   HD23  LEU  49          HD23      LEU  49  -5.086  -9.805  -3.720
  351    H    TYR  50           HN       TYR  50  -5.579  -9.954  -8.421
  352    HA   TYR  50           HA       TYR  50  -3.876  -9.283 -10.456
  353    HB2  TYR  50           HB2      TYR  50  -6.335 -10.212 -10.385
  354    HB3  TYR  50           HB1      TYR  50  -6.791  -8.525 -10.631
  355    HD1  TYR  50           HD2      TYR  50  -4.907 -11.356 -11.963
  356    HD2  TYR  50           HD1      TYR  50  -6.429  -7.440 -12.717
  357    HE1  TYR  50           HE2      TYR  50  -4.380 -11.636 -14.384
  358    HE2  TYR  50           HE1      TYR  50  -5.914  -7.688 -15.140
  359    HH   TYR  50           HH       TYR  50  -3.945  -9.462 -16.422
  360    H    GLN  51           HN       GLN  51  -6.357  -7.115  -9.139
  361    HA   GLN  51           HA       GLN  51  -5.476  -4.795 -10.560
  362    HB2  GLN  51           HB2      GLN  51  -6.759  -4.685  -7.822
  363    HB3  GLN  51           HB1      GLN  51  -6.917  -3.554  -9.162
  364    HG2  GLN  51           HG2      GLN  51  -7.926  -5.522 -10.491
  365    HG3  GLN  51           HG1      GLN  51  -8.100  -6.316  -8.927
  366   HE21  GLN  51          HE21      GLN  51 -10.271  -5.346 -10.704
  367   HE22  GLN  51          HE22      GLN  51 -11.156  -4.215  -9.801
  368    H    LEU  52           HN       LEU  52  -4.645  -6.036  -7.336
  369    HA   LEU  52           HA       LEU  52  -2.946  -3.867  -6.611
  370    HB2  LEU  52           HB2      LEU  52  -2.804  -6.785  -5.852
  371    HB3  LEU  52           HB1      LEU  52  -1.892  -5.505  -5.060
  372    HG   LEU  52           HG       LEU  52  -4.917  -5.712  -5.196
  373   HD11  LEU  52          HD11      LEU  52  -3.726  -7.284  -3.674
  374   HD12  LEU  52          HD12      LEU  52  -4.762  -6.138  -2.823
  375   HD13  LEU  52          HD13      LEU  52  -3.016  -5.895  -2.849
  376   HD21  LEU  52          HD21      LEU  52  -3.048  -3.545  -4.320
  377   HD22  LEU  52          HD22      LEU  52  -4.495  -3.806  -3.345
  378   HD23  LEU  52          HD23      LEU  52  -4.638  -3.411  -5.055
  379    H    GLU  53           HN       GLU  53  -2.617  -6.548  -8.727
  380    HA   GLU  53           HA       GLU  53   0.268  -6.395  -8.981
  381    HB2  GLU  53           HB2      GLU  53  -1.710  -8.248  -9.653
  382    HB3  GLU  53           HB1      GLU  53  -1.226  -7.625 -11.227
  383    HG2  GLU  53           HG2      GLU  53   0.745  -8.655  -9.164
  384    HG3  GLU  53           HG1      GLU  53   0.061  -9.654 -10.433
  385    H    ASN  54           HN       ASN  54  -2.267  -4.496  -9.957
  386    HA   ASN  54           HA       ASN  54  -1.238  -3.646 -12.547
  387    HB2  ASN  54           HB2      ASN  54  -3.697  -3.601 -11.589
  388    HB3  ASN  54           HB1      ASN  54  -3.209  -2.052 -10.902
  389   HD21  ASN  54          HD21      ASN  54  -5.199  -2.429 -13.028
  390   HD22  ASN  54          HD22      ASN  54  -4.614  -1.621 -14.398
  391    H    TYR  55           HN       TYR  55  -0.847  -2.677  -9.208
  392    HA   TYR  55           HA       TYR  55   0.520  -0.156 -10.030
  393    HB2  TYR  55           HB2      TYR  55  -0.055  -1.118  -7.223
  394    HB3  TYR  55           HB1      TYR  55   0.298   0.522  -7.755
  395    HD1  TYR  55           HD2      TYR  55  -2.194  -2.152  -7.716
  396    HD2  TYR  55           HD1      TYR  55  -1.372   1.876  -8.864
  397    HE1  TYR  55           HE2      TYR  55  -4.632  -1.787  -8.115
  398    HE2  TYR  55           HE1      TYR  55  -3.790   2.260  -9.279
  399    HH   TYR  55           HH       TYR  55  -6.188  -0.312  -8.681
  400    H    CYS  56           HN       CYS  56   1.447  -3.279  -9.782
  401    HA   CYS  56           HA       CYS  56   3.800  -2.968  -8.083
  402    HB2  CYS  56           HB2      CYS  56   3.028  -5.084 -10.109
  403    HB3  CYS  56           HB1      CYS  56   4.471  -5.163  -9.104
  404    H    ASN  57           HN       ASN  57   5.414  -1.629  -8.729
  405    HA   ASN  57           HA       ASN  57   6.937  -0.519 -10.134
  406    HB2  ASN  57           HB2      ASN  57   7.866  -2.788 -10.273
  407    HB3  ASN  57           HB1      ASN  57   6.748  -3.178 -11.579
  408   HD21  ASN  57          HD21      ASN  57   9.685  -1.400 -10.773
  409   HD22  ASN  57          HD22      ASN  57  10.089  -0.981 -12.368
  Start of MODEL    3
    1    H1   PHE   1           HT1      PHE   1  -6.895 -12.653   2.699
    2    H2   PHE   1           HT2      PHE   1  -5.572 -11.922   3.476
    3    H3   PHE   1           HT3      PHE   1  -5.346 -13.325   2.544
    4    HA   PHE   1           HA       PHE   1  -5.864 -10.570   1.659
    5    HB2  PHE   1           HB2      PHE   1  -3.566 -11.696   1.903
    6    HB3  PHE   1           HB1      PHE   1  -4.013 -12.692   0.529
    7    HD1  PHE   1           HD2      PHE   1  -5.617  -9.784  -0.362
    8    HD2  PHE   1           HD1      PHE   1  -1.645 -11.244   0.305
    9    HE1  PHE   1           HE2      PHE   1  -4.731  -8.063  -1.837
   10    HE2  PHE   1           HE1      PHE   1  -0.757  -9.501  -1.180
   11    HZ   PHE   1           HZ       PHE   1  -2.289  -7.903  -2.255
   12    H    VAL   2           HN       VAL   2  -7.946 -12.655   1.561
   13    HA   VAL   2           HA       VAL   2  -8.087 -13.306  -1.351
   14    HB   VAL   2           HB       VAL   2 -10.099 -14.720  -0.384
   15   HG11  VAL   2          HG11      VAL   2  -8.110 -15.750  -1.316
   16   HG12  VAL   2          HG12      VAL   2  -8.475 -16.536   0.220
   17   HG13  VAL   2          HG13      VAL   2  -7.178 -15.346   0.126
   18   HG21  VAL   2          HG21      VAL   2 -10.040 -15.194   1.923
   19   HG22  VAL   2          HG22      VAL   2  -9.727 -13.460   1.891
   20   HG23  VAL   2          HG23      VAL   2  -8.394 -14.591   2.106
   21    H    ASN   3           HN       ASN   3 -10.913 -13.104   0.682
   22    HA   ASN   3           HA       ASN   3 -12.018 -11.004  -1.111
   23    HB2  ASN   3           HB2      ASN   3 -13.517 -12.626   0.955
   24    HB3  ASN   3           HB1      ASN   3 -14.184 -11.737  -0.411
   25   HD21  ASN   3          HD21      ASN   3 -14.602 -12.985  -2.223
   26   HD22  ASN   3          HD22      ASN   3 -13.872 -14.475  -2.577
   27    H    GLN   4           HN       GLN   4 -10.133 -10.531   1.186
   28    HA   GLN   4           HA       GLN   4 -11.859  -8.988   3.051
   29    HB2  GLN   4           HB2      GLN   4  -9.405  -8.587   4.059
   30    HB3  GLN   4           HB1      GLN   4 -10.299 -10.071   4.365
   31    HG2  GLN   4           HG2      GLN   4  -9.136 -11.194   2.519
   32    HG3  GLN   4           HG1      GLN   4  -8.269  -9.703   2.142
   33   HE21  GLN   4          HE21      GLN   4  -8.139 -12.574   3.968
   34   HE22  GLN   4          HE22      GLN   4  -6.863 -12.148   4.999
   35    H    HIS   5           HN       HIS   5 -11.245  -6.750   3.538
   36    HA   HIS   5           HA       HIS   5 -10.504  -5.292   1.059
   37    HB2  HIS   5           HB2      HIS   5 -11.304  -3.308   2.570
   38    HB3  HIS   5           HB1      HIS   5 -12.504  -4.429   1.930
   39    HD2  HIS   5           HD2      HIS   5 -10.501  -4.031   5.358
   40    HE1  HIS   5           HE1      HIS   5 -14.184  -5.960   6.107
   41    HE2  HIS   5           HE2      HIS   5 -12.079  -5.016   7.175
   42    H    LEU   6           HN       LEU   6  -8.709  -4.008   0.920
   43    HA   LEU   6           HA       LEU   6  -6.757  -4.105   3.177
   44    HB2  LEU   6           HB2      LEU   6  -6.574  -3.785   0.200
   45    HB3  LEU   6           HB1      LEU   6  -5.325  -3.057   1.177
   46    HG   LEU   6           HG       LEU   6  -4.459  -5.097   1.877
   47   HD11  LEU   6          HD11      LEU   6  -6.160  -6.257   2.952
   48   HD12  LEU   6          HD12      LEU   6  -5.885  -7.275   1.547
   49   HD13  LEU   6          HD13      LEU   6  -7.244  -6.158   1.568
   50   HD21  LEU   6          HD21      LEU   6  -4.523  -6.648  -0.071
   51   HD22  LEU   6          HD22      LEU   6  -4.154  -4.998  -0.527
   52   HD23  LEU   6          HD23      LEU   6  -5.767  -5.663  -0.798
   53    H    CYS   7           HN       CYS   7  -6.218  -2.247   4.249
   54    HA   CYS   7           HA       CYS   7  -6.757   0.377   3.005
   55    HB2  CYS   7           HB2      CYS   7  -8.760  -0.650   4.495
   56    HB3  CYS   7           HB1      CYS   7  -7.818   0.087   5.788
   57    H    GLY   8           HN       GLY   8  -5.029   1.633   3.429
   58    HA2  GLY   8           HA2      GLY   8  -3.207   2.572   4.593
   59    HA3  GLY   8           HA1      GLY   8  -3.803   1.778   6.051
   60    H    SER   9           HN       SER   9  -1.734   1.032   6.681
   61    HA   SER   9           HA       SER   9   0.262  -0.191   5.197
   62    HB2  SER   9           HB2      SER   9  -0.758  -0.963   7.944
   63    HB3  SER   9           HB1      SER   9   0.751  -1.554   7.255
   64    HG   SER   9           HG       SER   9   0.328   1.185   7.151
   65    H    ASP  10           HN       ASP  10  -2.844  -1.613   6.127
   66    HA   ASP  10           HA       ASP  10  -2.371  -4.330   5.657
   67    HB2  ASP  10           HB2      ASP  10  -4.733  -2.532   5.185
   68    HB3  ASP  10           HB1      ASP  10  -4.817  -4.192   4.613
   69    H    LEU  11           HN       LEU  11  -3.225  -1.849   3.239
   70    HA   LEU  11           HA       LEU  11  -3.093  -3.504   0.961
   71    HB2  LEU  11           HB2      LEU  11  -3.974  -1.238   0.782
   72    HB3  LEU  11           HB1      LEU  11  -2.433  -0.558   1.287
   73    HG   LEU  11           HG       LEU  11  -1.362  -1.286  -0.753
   74   HD11  LEU  11          HD11      LEU  11  -3.952  -2.750  -1.228
   75   HD12  LEU  11          HD12      LEU  11  -2.322  -3.421  -1.150
   76   HD13  LEU  11          HD13      LEU  11  -2.793  -2.414  -2.505
   77   HD21  LEU  11          HD21      LEU  11  -4.097  -0.158  -1.415
   78   HD22  LEU  11          HD22      LEU  11  -2.666  -0.069  -2.439
   79   HD23  LEU  11          HD23      LEU  11  -2.705   0.796  -0.904
   80    H    VAL  12           HN       VAL  12  -0.513  -1.408   2.292
   81    HA   VAL  12           HA       VAL  12   1.565  -2.037   0.567
   82    HB   VAL  12           HB       VAL  12   1.906  -1.904   3.573
   83   HG11  VAL  12          HG11      VAL  12   4.103  -1.174   3.111
   84   HG12  VAL  12          HG12      VAL  12   3.724  -0.795   1.432
   85   HG13  VAL  12          HG13      VAL  12   3.854  -2.475   1.950
   86   HG21  VAL  12          HG21      VAL  12   0.481  -0.046   2.865
   87   HG22  VAL  12          HG22      VAL  12   1.588   0.329   1.546
   88   HG23  VAL  12          HG23      VAL  12   2.098   0.561   3.217
   89    H    GLU  13           HN       GLU  13   1.176  -3.751   3.693
   90    HA   GLU  13           HA       GLU  13   2.942  -5.853   3.205
   91    HB2  GLU  13           HB2      GLU  13   0.258  -6.026   4.609
   92    HB3  GLU  13           HB1      GLU  13   1.568  -7.196   4.763
   93    HG2  GLU  13           HG2      GLU  13   3.049  -5.352   5.589
   94    HG3  GLU  13           HG1      GLU  13   1.653  -4.274   5.564
   95    H    ALA  14           HN       ALA  14  -0.240  -5.336   1.842
   96    HA   ALA  14           HA       ALA  14  -0.424  -8.053   0.770
   97    HB1  ALA  14           HB1      ALA  14  -2.595  -7.452   0.677
   98    HB2  ALA  14           HB2      ALA  14  -2.218  -6.309  -0.617
   99    HB3  ALA  14           HB3      ALA  14  -2.181  -5.786   1.061
  100    H    LEU  15           HN       LEU  15   0.060  -4.803  -0.751
  101    HA   LEU  15           HA       LEU  15   0.558  -5.758  -3.342
  102    HB2  LEU  15           HB2      LEU  15   1.767  -3.425  -1.860
  103    HB3  LEU  15           HB1      LEU  15   2.193  -3.777  -3.531
  104    HG   LEU  15           HG       LEU  15  -0.722  -3.560  -2.780
  105   HD11  LEU  15          HD11      LEU  15  -0.729  -1.191  -3.082
  106   HD12  LEU  15          HD12      LEU  15   0.941  -1.178  -3.641
  107   HD13  LEU  15          HD13      LEU  15   0.583  -1.497  -1.948
  108   HD21  LEU  15          HD21      LEU  15   0.795  -2.771  -5.283
  109   HD22  LEU  15          HD22      LEU  15  -0.952  -2.895  -5.099
  110   HD23  LEU  15          HD23      LEU  15   0.044  -4.346  -5.054
  111    H    TYR  16           HN       TYR  16   2.674  -5.698  -0.517
  112    HA   TYR  16           HA       TYR  16   5.143  -6.271  -1.677
  113    HB2  TYR  16           HB2      TYR  16   4.900  -5.918   0.712
  114    HB3  TYR  16           HB1      TYR  16   3.979  -7.411   0.868
  115    HD1  TYR  16           HD2      TYR  16   7.231  -6.262  -0.638
  116    HD2  TYR  16           HD1      TYR  16   5.162  -9.275   1.607
  117    HE1  TYR  16           HE2      TYR  16   9.346  -7.531  -0.396
  118    HE2  TYR  16           HE1      TYR  16   7.276 -10.549   1.853
  119    HH   TYR  16           HH       TYR  16  10.107  -9.464   1.626
  120    H    LEU  17           HN       LEU  17   2.634  -8.720  -0.820
  121    HA   LEU  17           HA       LEU  17   4.180 -10.899  -1.933
  122    HB2  LEU  17           HB2      LEU  17   1.167 -10.715  -1.627
  123    HB3  LEU  17           HB1      LEU  17   2.092 -12.174  -1.902
  124    HG   LEU  17           HG       LEU  17   3.329 -11.688   0.260
  125   HD11  LEU  17          HD11      LEU  17   2.965  -9.489   0.863
  126   HD12  LEU  17          HD12      LEU  17   1.692 -10.245   1.806
  127   HD13  LEU  17          HD13      LEU  17   1.310  -9.470   0.273
  128   HD21  LEU  17          HD21      LEU  17   0.382 -12.341   0.109
  129   HD22  LEU  17          HD22      LEU  17   1.228 -12.366   1.654
  130   HD23  LEU  17          HD23      LEU  17   1.741 -13.435   0.350
  131    H    VAL  18           HN       VAL  18   1.408  -9.028  -3.146
  132    HA   VAL  18           HA       VAL  18   1.122 -10.177  -5.678
  133    HB   VAL  18           HB       VAL  18   0.950  -7.222  -5.039
  134   HG11  VAL  18          HG11      VAL  18  -0.576  -7.080  -6.857
  135   HG12  VAL  18          HG12      VAL  18  -0.614  -8.827  -7.051
  136   HG13  VAL  18          HG13      VAL  18   0.843  -7.924  -7.455
  137   HG21  VAL  18          HG21      VAL  18  -1.389  -7.644  -4.479
  138   HG22  VAL  18          HG22      VAL  18  -0.353  -8.638  -3.455
  139   HG23  VAL  18          HG23      VAL  18  -1.185  -9.359  -4.831
  140    H    CYS  19           HN       CYS  19   3.072  -7.281  -4.956
  141    HA   CYS  19           HA       CYS  19   4.401  -7.384  -7.534
  142    HB2  CYS  19           HB2      CYS  19   5.390  -5.840  -5.142
  143    HB3  CYS  19           HB1      CYS  19   5.478  -5.413  -6.847
  144    H    GLY  20           HN       GLY  20   4.991  -8.702  -4.389
  145    HA2  GLY  20           HA2      GLY  20   6.758 -10.004  -3.552
  146    HA3  GLY  20           HA1      GLY  20   6.947 -10.535  -5.220
  147    H    GLU  21           HN       GLU  21   9.088 -10.371  -5.676
  148    HA   GLU  21           HA       GLU  21  10.794  -8.350  -4.471
  149    HB2  GLU  21           HB2      GLU  21  11.242 -10.335  -6.713
  150    HB3  GLU  21           HB1      GLU  21  12.501  -9.278  -6.075
  151    HG2  GLU  21           HG2      GLU  21  12.078 -10.228  -3.801
  152    HG3  GLU  21           HG1      GLU  21  10.934 -11.358  -4.526
  153    H    ARG  22           HN       ARG  22   8.679  -8.330  -7.135
  154    HA   ARG  22           HA       ARG  22  10.083  -6.726  -8.999
  155    HB2  ARG  22           HB2      ARG  22   7.129  -6.526  -8.346
  156    HB3  ARG  22           HB1      ARG  22   7.909  -6.072  -9.858
  157    HG2  ARG  22           HG2      ARG  22   8.413  -8.343 -10.401
  158    HG3  ARG  22           HG1      ARG  22   8.058  -8.892  -8.774
  159    HD2  ARG  22           HD2      ARG  22   5.861  -9.180  -9.274
  160    HD3  ARG  22           HD1      ARG  22   5.719  -7.544  -9.891
  161    HE   ARG  22           HE       ARG  22   5.777  -9.926 -11.453
  162   HH11  ARG  22          HH21      ARG  22   7.325  -6.842 -11.349
  163   HH12  ARG  22          HH22      ARG  22   7.753  -6.861 -13.026
  164   HH21  ARG  22          HH11      ARG  22   6.322  -9.958 -13.630
  165   HH22  ARG  22          HH12      ARG  22   7.184  -8.622 -14.316
  166    H    GLY  23           HN       GLY  23   8.593  -5.910  -5.933
  167    HA2  GLY  23           HA2      GLY  23   8.856  -3.929  -4.676
  168    HA3  GLY  23           HA1      GLY  23   9.892  -3.297  -5.961
  169    H    PHE  24           HN       PHE  24   7.726  -1.831  -4.646
  170    HA   PHE  24           HA       PHE  24   6.288  -1.023  -7.072
  171    HB2  PHE  24           HB2      PHE  24   4.071  -1.378  -6.172
  172    HB3  PHE  24           HB1      PHE  24   4.949  -2.904  -6.110
  173    HD1  PHE  24           HD1      PHE  24   5.730  -3.837  -3.991
  174    HD2  PHE  24           HD2      PHE  24   3.570  -0.122  -4.115
  175    HE1  PHE  24           HE1      PHE  24   5.363  -3.964  -1.544
  176    HE2  PHE  24           HE2      PHE  24   3.197  -0.265  -1.667
  177    HZ   PHE  24           HZ       PHE  24   4.094  -2.182  -0.387
  178    H    PHE  25           HN       PHE  25   4.746   0.805  -6.485
  179    HA   PHE  25           HA       PHE  25   5.991   2.549  -4.389
  180    HB2  PHE  25           HB2      PHE  25   5.205   4.446  -5.821
  181    HB3  PHE  25           HB1      PHE  25   6.380   3.417  -6.643
  182    HD1  PHE  25           HD1      PHE  25   2.744   4.173  -6.324
  183    HD2  PHE  25           HD2      PHE  25   5.791   2.158  -8.587
  184    HE1  PHE  25           HE1      PHE  25   1.095   3.713  -8.128
  185    HE2  PHE  25           HE2      PHE  25   4.150   1.703 -10.389
  186    HZ   PHE  25           HZ       PHE  25   1.806   2.479 -10.160
  187    H    TYR  26           HN       TYR  26   4.612   3.450  -2.886
  188    HA   TYR  26           HA       TYR  26   1.867   2.450  -2.820
  189    HB2  TYR  26           HB2      TYR  26   3.445   2.988  -0.788
  190    HB3  TYR  26           HB1      TYR  26   2.898   4.649  -1.016
  191    HD1  TYR  26           HD1      TYR  26   1.504   1.164  -0.838
  192    HD2  TYR  26           HD2      TYR  26   0.932   5.323   0.092
  193    HE1  TYR  26           HE1      TYR  26  -0.614   0.627   0.339
  194    HE2  TYR  26           HE2      TYR  26  -1.175   4.773   1.271
  195    HH   TYR  26           HH       TYR  26  -2.914   2.844   1.114
  196    H    THR  27           HN       THR  27   0.071   4.214  -2.430
  197    HA   THR  27           HA       THR  27  -0.038   5.797  -4.805
  198    HB   THR  27           HB       THR  27  -2.061   5.022  -3.668
  199    HG1  THR  27           HG1      THR  27  -3.153   7.000  -3.794
  200   HG21  THR  27          HG21      THR  27  -1.260   6.985  -1.497
  201   HG22  THR  27          HG22      THR  27  -1.283   5.232  -1.352
  202   HG23  THR  27          HG23      THR  27  -2.788   6.111  -1.571
  203    H    ASP  28           HN       ASP  28  -0.585   8.275  -4.578
  204    HA   ASP  28           HA       ASP  28   1.696   9.682  -4.131
  205    HB2  ASP  28           HB2      ASP  28  -1.005  10.336  -4.633
  206    HB3  ASP  28           HB1      ASP  28  -0.540  11.353  -3.275
  207    HA   PRO  29           HA       PRO  29   2.276   9.785   0.320
  208    HB2  PRO  29           HB2      PRO  29   3.950  11.981   0.510
  209    HB3  PRO  29           HB1      PRO  29   4.485  10.390  -0.052
  210    HG2  PRO  29           HG2      PRO  29   3.946  12.861  -1.639
  211    HG3  PRO  29           HG1      PRO  29   5.062  11.532  -1.982
  212    HD2  PRO  29           HD2      PRO  29   2.536  11.896  -3.193
  213    HD3  PRO  29           HD1      PRO  29   3.499  10.401  -3.204
  214    H    THR  30           HN       THR  30   0.663  12.229  -1.416
  215    HA   THR  30           HA       THR  30   0.417  14.356   0.391
  216    HB   THR  30           HB       THR  30  -1.623  14.936  -0.767
  217    HG1  THR  30           HG1      THR  30  -1.555  12.265  -1.719
  218   HG21  THR  30          HG21      THR  30  -0.846  14.794  -3.079
  219   HG22  THR  30          HG22      THR  30   0.242  13.472  -2.656
  220   HG23  THR  30          HG23      THR  30   0.529  15.088  -2.013
  221    H    GLY  31           HN       GLY  31  -1.458  11.327   0.359
  222    HA2  GLY  31           HA2      GLY  31  -2.692  10.345   2.108
  223    HA3  GLY  31           HA1      GLY  31  -1.904  11.479   3.199
  224    H    GLY  32           HN       GLY  32  -3.045  13.657   1.224
  225    HA2  GLY  32           HA2      GLY  32  -5.614  13.936   2.704
  226    HA3  GLY  32           HA1      GLY  32  -4.794  15.222   1.816
  227    H    GLY  33           HN       GLY  33  -4.380  13.067  -0.352
  228    HA2  GLY  33           HA2      GLY  33  -6.936  12.339  -1.397
  229    HA3  GLY  33           HA1      GLY  33  -6.419  13.859  -2.135
  230    HA   PRO  34           HA       PRO  34  -2.839  10.910  -3.283
  231    HB2  PRO  34           HB2      PRO  34  -3.014   8.306  -2.302
  232    HB3  PRO  34           HB1      PRO  34  -2.088   9.598  -1.538
  233    HG2  PRO  34           HG2      PRO  34  -4.730   8.449  -0.769
  234    HG3  PRO  34           HG1      PRO  34  -3.489   9.189   0.259
  235    HD2  PRO  34           HD2      PRO  34  -5.851  10.461  -0.523
  236    HD3  PRO  34           HD1      PRO  34  -4.374  11.295   0.008
  237    H    ARG  35           HN       ARG  35  -2.735   8.602  -4.532
  238    HA   ARG  35           HA       ARG  35  -4.723   8.655  -6.562
  239    HB2  ARG  35           HB2      ARG  35  -2.350   7.520  -6.496
  240    HB3  ARG  35           HB1      ARG  35  -3.220   6.126  -5.864
  241    HG2  ARG  35           HG2      ARG  35  -4.721   6.188  -7.841
  242    HG3  ARG  35           HG1      ARG  35  -3.785   7.537  -8.488
  243    HD2  ARG  35           HD2      ARG  35  -1.734   6.057  -8.342
  244    HD3  ARG  35           HD1      ARG  35  -2.816   4.712  -7.970
  245    HE   ARG  35           HE       ARG  35  -3.868   5.776 -10.299
  246   HH11  ARG  35          HH21      ARG  35  -0.778   4.687  -9.226
  247   HH12  ARG  35          HH22      ARG  35  -0.274   4.151 -10.794
  248   HH21  ARG  35          HH11      ARG  35  -3.227   5.082 -12.354
  249   HH22  ARG  35          HH12      ARG  35  -1.660   4.376 -12.564
  250    H    ARG  36           HN       ARG  36  -6.768   8.664  -5.406
  251    HA   ARG  36           HA       ARG  36  -7.563   6.659  -3.551
  252    HB2  ARG  36           HB2      ARG  36  -9.933   7.263  -4.518
  253    HB3  ARG  36           HB1      ARG  36  -9.018   8.497  -3.650
  254    HG2  ARG  36           HG2      ARG  36  -8.366   9.596  -5.626
  255    HG3  ARG  36           HG1      ARG  36  -8.719   8.191  -6.632
  256    HD2  ARG  36           HD2      ARG  36 -10.788   9.856  -5.165
  257    HD3  ARG  36           HD1      ARG  36 -10.445   9.950  -6.893
  258    HE   ARG  36           HE       ARG  36 -11.021   7.273  -6.484
  259   HH11  ARG  36          HH21      ARG  36 -12.527  10.293  -5.774
  260   HH12  ARG  36          HH22      ARG  36 -14.139   9.669  -5.894
  261   HH21  ARG  36          HH11      ARG  36 -13.118   6.440  -6.641
  262   HH22  ARG  36          HH12      ARG  36 -14.473   7.487  -6.384
  263    H    GLY  37           HN       GLY  37  -6.606   6.269  -6.689
  264    HA2  GLY  37           HA2      GLY  37  -8.545   4.335  -7.612
  265    HA3  GLY  37           HA1      GLY  37  -6.948   4.605  -8.307
  266    H    ILE  38           HN       ILE  38  -5.727   4.155  -5.526
  267    HA   ILE  38           HA       ILE  38  -5.792   1.181  -5.702
  268    HB   ILE  38           HB       ILE  38  -3.636   2.852  -5.743
  269   HG12  ILE  38          HG12      ILE  38  -3.290   0.633  -6.388
  270   HG13  ILE  38          HG11      ILE  38  -2.284   0.776  -4.965
  271   HG21  ILE  38          HG21      ILE  38  -3.804   1.921  -2.861
  272   HG22  ILE  38          HG22      ILE  38  -3.884   3.588  -3.425
  273   HG23  ILE  38          HG23      ILE  38  -2.406   2.662  -3.629
  274   HD11  ILE  38          HD11      ILE  38  -3.346  -1.175  -4.413
  275   HD12  ILE  38          HD12      ILE  38  -4.765  -0.823  -5.385
  276   HD13  ILE  38          HD13      ILE  38  -4.573  -0.084  -3.797
  277    H    VAL  39           HN       VAL  39  -5.623   3.687  -3.134
  278    HA   VAL  39           HA       VAL  39  -6.189   1.865  -1.027
  279    HB   VAL  39           HB       VAL  39  -6.973   4.779  -0.952
  280   HG11  VAL  39          HG11      VAL  39  -7.433   3.174   0.968
  281   HG12  VAL  39          HG12      VAL  39  -6.454   4.581   1.381
  282   HG13  VAL  39          HG13      VAL  39  -5.685   3.012   1.142
  283   HG21  VAL  39          HG21      VAL  39  -4.225   3.526  -1.055
  284   HG22  VAL  39          HG22      VAL  39  -4.484   4.996  -0.114
  285   HG23  VAL  39          HG23      VAL  39  -4.812   4.991  -1.844
  286    H    GLU  40           HN       GLU  40  -8.487   4.327  -2.304
  287    HA   GLU  40           HA       GLU  40 -10.745   3.274  -0.990
  288    HB2  GLU  40           HB2      GLU  40 -10.727   4.578  -3.723
  289    HB3  GLU  40           HB1      GLU  40 -12.097   4.470  -2.620
  290    HG2  GLU  40           HG2      GLU  40 -10.609   5.698  -0.915
  291    HG3  GLU  40           HG1      GLU  40  -9.551   6.062  -2.279
  292    H    GLN  41           HN       GLN  41  -9.527   2.462  -4.252
  293    HA   GLN  41           HA       GLN  41 -11.546   0.739  -5.095
  294    HB2  GLN  41           HB2      GLN  41  -9.442   1.359  -6.358
  295    HB3  GLN  41           HB1      GLN  41  -8.597   0.112  -5.439
  296    HG2  GLN  41           HG2      GLN  41  -9.306  -0.917  -7.489
  297    HG3  GLN  41           HG1      GLN  41 -10.397  -1.508  -6.237
  298   HE21  GLN  41          HE21      GLN  41 -12.315  -1.767  -7.391
  299   HE22  GLN  41          HE22      GLN  41 -13.081  -0.518  -8.235
  300    H    CYS  42           HN       CYS  42  -8.634  -0.312  -3.286
  301    HA   CYS  42           HA       CYS  42  -9.910  -2.894  -2.729
  302    HB2  CYS  42           HB2      CYS  42  -7.269  -1.790  -1.744
  303    HB3  CYS  42           HB1      CYS  42  -7.798  -3.471  -1.690
  304    H    CYS  43           HN       CYS  43  -9.467   0.137  -1.000
  305    HA   CYS  43           HA       CYS  43 -10.076  -1.109   1.601
  306    HB2  CYS  43           HB2      CYS  43  -8.582   0.857   1.546
  307    HB3  CYS  43           HB1      CYS  43  -9.882   1.824   0.841
  308    H    HIS  44           HN       HIS  44 -11.703   1.245  -0.549
  309    HA   HIS  44           HA       HIS  44 -14.161   1.181   0.956
  310    HB2  HIS  44           HB2      HIS  44 -13.346   2.957  -0.753
  311    HB3  HIS  44           HB1      HIS  44 -13.975   1.864  -1.985
  312    HD2  HIS  44           HD2      HIS  44 -16.871   1.324  -1.644
  313    HE1  HIS  44           HE1      HIS  44 -17.500   4.865   0.572
  314    HE2  HIS  44           HE2      HIS  44 -18.639   2.976  -0.692
  315    H    SER  45           HN       SER  45 -12.798  -0.808  -1.571
  316    HA   SER  45           HA       SER  45 -15.212  -2.575  -1.414
  317    HB2  SER  45           HB2      SER  45 -15.542  -1.460  -3.499
  318    HB3  SER  45           HB1      SER  45 -13.836  -1.578  -3.914
  319    HG   SER  45           HG       SER  45 -15.830  -3.562  -3.879
  320    H    ILE  46           HN       ILE  46 -14.626  -4.755  -2.496
  321    HA   ILE  46           HA       ILE  46 -12.008  -5.604  -1.388
  322    HB   ILE  46           HB       ILE  46 -14.120  -7.406  -2.595
  323   HG12  ILE  46          HG12      ILE  46 -15.135  -5.844  -0.825
  324   HG13  ILE  46          HG11      ILE  46 -15.289  -7.565  -0.524
  325   HG21  ILE  46          HG21      ILE  46 -12.022  -8.472  -2.107
  326   HG22  ILE  46          HG22      ILE  46 -13.183  -8.972  -0.882
  327   HG23  ILE  46          HG23      ILE  46 -11.965  -7.757  -0.497
  328   HD11  ILE  46          HD11      ILE  46 -13.975  -7.493   1.329
  329   HD12  ILE  46          HD12      ILE  46 -14.353  -5.773   1.312
  330   HD13  ILE  46          HD13      ILE  46 -12.840  -6.347   0.620
  331    H    CYS  47           HN       CYS  47 -10.470  -5.072  -2.957
  332    HA   CYS  47           HA       CYS  47 -11.017  -5.748  -5.792
  333    HB2  CYS  47           HB2      CYS  47  -9.120  -4.451  -6.331
  334    HB3  CYS  47           HB1      CYS  47  -9.836  -3.597  -4.967
  335    H    SER  48           HN       SER  48  -9.651  -7.190  -6.987
  336    HA   SER  48           HA       SER  48  -8.639  -9.434  -5.362
  337    HB2  SER  48           HB2      SER  48  -8.172 -10.327  -7.798
  338    HB3  SER  48           HB1      SER  48  -9.827 -10.234  -7.210
  339    HG   SER  48           HG       SER  48 -10.067  -9.082  -8.966
  340    H    LEU  49           HN       LEU  49  -6.474 -10.381  -6.014
  341    HA   LEU  49           HA       LEU  49  -4.376  -8.521  -5.614
  342    HB2  LEU  49           HB2      LEU  49  -4.112 -11.186  -7.030
  343    HB3  LEU  49           HB1      LEU  49  -2.866 -10.338  -6.121
  344    HG   LEU  49           HG       LEU  49  -5.341 -11.710  -5.052
  345   HD11  LEU  49          HD11      LEU  49  -3.331 -13.100  -5.314
  346   HD12  LEU  49          HD12      LEU  49  -3.650 -12.822  -3.602
  347   HD13  LEU  49          HD13      LEU  49  -2.379 -11.915  -4.421
  348   HD21  LEU  49          HD21      LEU  49  -4.464 -10.836  -2.801
  349   HD22  LEU  49          HD22      LEU  49  -5.325  -9.673  -3.808
  350   HD23  LEU  49          HD23      LEU  49  -3.564  -9.655  -3.747
  351    H    TYR  50           HN       TYR  50  -5.845  -9.800  -8.518
  352    HA   TYR  50           HA       TYR  50  -4.142  -9.119 -10.547
  353    HB2  TYR  50           HB2      TYR  50  -6.603 -10.024 -10.504
  354    HB3  TYR  50           HB1      TYR  50  -7.050  -8.328 -10.695
  355    HD1  TYR  50           HD2      TYR  50  -5.182 -11.122 -12.117
  356    HD2  TYR  50           HD1      TYR  50  -6.692  -7.180 -12.749
  357    HE1  TYR  50           HE2      TYR  50  -4.653 -11.327 -14.545
  358    HE2  TYR  50           HE1      TYR  50  -6.173  -7.352 -15.178
  359    HH   TYR  50           HH       TYR  50  -4.479 -10.190 -16.486
  360    H    GLN  51           HN       GLN  51  -6.584  -6.943  -9.180
  361    HA   GLN  51           HA       GLN  51  -5.710  -4.606 -10.566
  362    HB2  GLN  51           HB2      GLN  51  -6.897  -4.526  -7.786
  363    HB3  GLN  51           HB1      GLN  51  -7.114  -3.393  -9.117
  364    HG2  GLN  51           HG2      GLN  51  -8.198  -5.301 -10.418
  365    HG3  GLN  51           HG1      GLN  51  -8.230  -6.190  -8.898
  366   HE21  GLN  51          HE21      GLN  51  -8.982  -2.809  -9.881
  367   HE22  GLN  51          HE22      GLN  51 -10.478  -2.752  -9.085
  368    H    LEU  52           HN       LEU  52  -4.806  -5.922  -7.393
  369    HA   LEU  52           HA       LEU  52  -3.063  -3.786  -6.685
  370    HB2  LEU  52           HB2      LEU  52  -2.951  -6.710  -5.945
  371    HB3  LEU  52           HB1      LEU  52  -2.000  -5.448  -5.170
  372    HG   LEU  52           HG       LEU  52  -5.031  -5.590  -5.244
  373   HD11  LEU  52          HD11      LEU  52  -3.857  -7.205  -3.757
  374   HD12  LEU  52          HD12      LEU  52  -4.844  -6.036  -2.880
  375   HD13  LEU  52          HD13      LEU  52  -3.093  -5.842  -2.936
  376   HD21  LEU  52          HD21      LEU  52  -4.698  -3.299  -5.086
  377   HD22  LEU  52          HD22      LEU  52  -3.092  -3.478  -4.394
  378   HD23  LEU  52          HD23      LEU  52  -4.517  -3.712  -3.381
  379    H    GLU  53           HN       GLU  53  -2.714  -6.591  -8.706
  380    HA   GLU  53           HA       GLU  53   0.142  -6.392  -9.020
  381    HB2  GLU  53           HB2      GLU  53  -1.883  -8.201  -9.769
  382    HB3  GLU  53           HB1      GLU  53  -1.294  -7.583 -11.309
  383    HG2  GLU  53           HG2      GLU  53   1.092  -8.090 -10.197
  384    HG3  GLU  53           HG1      GLU  53   0.141  -9.210  -9.224
  385    H    ASN  54           HN       ASN  54  -2.411  -4.490  -9.997
  386    HA   ASN  54           HA       ASN  54  -1.406  -3.613 -12.574
  387    HB2  ASN  54           HB2      ASN  54  -3.828  -3.490 -11.585
  388    HB3  ASN  54           HB1      ASN  54  -3.270  -2.003 -10.820
  389   HD21  ASN  54          HD21      ASN  54  -5.302  -2.189 -12.936
  390   HD22  ASN  54          HD22      ASN  54  -4.705  -1.322 -14.264
  391    H    TYR  55           HN       TYR  55  -0.922  -2.678  -9.236
  392    HA   TYR  55           HA       TYR  55   0.623  -0.264 -10.084
  393    HB2  TYR  55           HB2      TYR  55  -0.032  -1.073  -7.249
  394    HB3  TYR  55           HB1      TYR  55   0.359   0.526  -7.869
  395    HD1  TYR  55           HD2      TYR  55  -2.187  -2.113  -7.788
  396    HD2  TYR  55           HD1      TYR  55  -1.299   1.908  -8.913
  397    HE1  TYR  55           HE2      TYR  55  -4.620  -1.703  -8.172
  398    HE2  TYR  55           HE1      TYR  55  -3.714   2.337  -9.310
  399    HH   TYR  55           HH       TYR  55  -6.159   0.177  -8.273
  400    H    CYS  56           HN       CYS  56   1.282  -3.435  -9.754
  401    HA   CYS  56           HA       CYS  56   3.613  -3.267  -7.993
  402    HB2  CYS  56           HB2      CYS  56   2.570  -5.402  -9.863
  403    HB3  CYS  56           HB1      CYS  56   4.083  -5.574  -8.981
  404    H    ASN  57           HN       ASN  57   5.295  -2.035  -8.705
  405    HA   ASN  57           HA       ASN  57   6.908  -1.133 -10.159
  406    HB2  ASN  57           HB2      ASN  57   7.739  -3.442  -9.962
  407    HB3  ASN  57           HB1      ASN  57   6.692  -3.940 -11.291
  408   HD21  ASN  57          HD21      ASN  57   9.749  -2.486 -10.507
  409   HD22  ASN  57          HD22      ASN  57  10.231  -2.145 -12.099
  Start of MODEL    4
    1    H1   PHE   1           HT1      PHE   1  -5.494 -11.786   3.684
    2    H2   PHE   1           HT2      PHE   1  -5.289 -13.230   2.812
    3    H3   PHE   1           HT3      PHE   1  -6.831 -12.530   2.952
    4    HA   PHE   1           HA       PHE   1  -5.811 -10.514   1.805
    5    HB2  PHE   1           HB2      PHE   1  -3.502 -11.619   2.121
    6    HB3  PHE   1           HB1      PHE   1  -3.924 -12.649   0.764
    7    HD1  PHE   1           HD2      PHE   1  -5.550  -9.817  -0.250
    8    HD2  PHE   1           HD1      PHE   1  -1.564 -11.143   0.583
    9    HE1  PHE   1           HE2      PHE   1  -4.665  -8.114  -1.748
   10    HE2  PHE   1           HE1      PHE   1  -0.676  -9.420  -0.925
   11    HZ   PHE   1           HZ       PHE   1  -2.217  -7.897  -2.094
   12    H    VAL   2           HN       VAL   2  -7.838 -12.689   1.794
   13    HA   VAL   2           HA       VAL   2  -7.946 -13.454  -1.086
   14    HB   VAL   2           HB       VAL   2  -9.979 -14.816  -0.087
   15   HG11  VAL   2          HG11      VAL   2  -7.052 -15.389   0.429
   16   HG12  VAL   2          HG12      VAL   2  -8.037 -15.950  -0.923
   17   HG13  VAL   2          HG13      VAL   2  -8.327 -16.579   0.699
   18   HG21  VAL   2          HG21      VAL   2  -9.969 -15.173   2.239
   19   HG22  VAL   2          HG22      VAL   2  -9.638 -13.446   2.131
   20   HG23  VAL   2          HG23      VAL   2  -8.320 -14.577   2.424
   21    H    ASN   3           HN       ASN   3 -10.806 -13.139   0.887
   22    HA   ASN   3           HA       ASN   3 -11.862 -11.105  -1.018
   23    HB2  ASN   3           HB2      ASN   3 -13.437 -12.695   1.016
   24    HB3  ASN   3           HB1      ASN   3 -14.051 -11.836  -0.394
   25   HD21  ASN   3          HD21      ASN   3 -14.373 -13.108  -2.208
   26   HD22  ASN   3          HD22      ASN   3 -13.631 -14.608  -2.498
   27    H    GLN   4           HN       GLN   4 -10.082 -10.546   1.339
   28    HA   GLN   4           HA       GLN   4 -11.910  -9.015   3.113
   29    HB2  GLN   4           HB2      GLN   4  -9.489  -8.533   4.187
   30    HB3  GLN   4           HB1      GLN   4 -10.372 -10.022   4.504
   31    HG2  GLN   4           HG2      GLN   4  -9.138 -11.178   2.728
   32    HG3  GLN   4           HG1      GLN   4  -8.281  -9.685   2.334
   33   HE21  GLN   4          HE21      GLN   4  -8.054 -12.525   4.138
   34   HE22  GLN   4          HE22      GLN   4  -6.862 -12.036   5.241
   35    H    HIS   5           HN       HIS   5 -11.389  -6.761   3.589
   36    HA   HIS   5           HA       HIS   5 -10.693  -5.293   1.120
   37    HB2  HIS   5           HB2      HIS   5 -11.463  -3.319   2.662
   38    HB3  HIS   5           HB1      HIS   5 -12.670  -4.454   2.067
   39    HD2  HIS   5           HD2      HIS   5 -11.123  -3.330   5.451
   40    HE1  HIS   5           HE1      HIS   5 -13.740  -6.543   6.273
   41    HE2  HIS   5           HE2      HIS   5 -12.317  -4.707   7.306
   42    H    LEU   6           HN       LEU   6  -8.867  -4.100   0.881
   43    HA   LEU   6           HA       LEU   6  -6.886  -4.071   3.111
   44    HB2  LEU   6           HB2      LEU   6  -6.744  -3.889   0.120
   45    HB3  LEU   6           HB1      LEU   6  -5.509  -3.061   1.035
   46    HG   LEU   6           HG       LEU   6  -4.599  -5.031   1.890
   47   HD11  LEU   6          HD11      LEU   6  -5.959  -7.270   1.565
   48   HD12  LEU   6          HD12      LEU   6  -7.338  -6.178   1.556
   49   HD13  LEU   6          HD13      LEU   6  -6.263  -6.231   2.951
   50   HD21  LEU   6          HD21      LEU   6  -4.546  -6.653  -0.006
   51   HD22  LEU   6          HD22      LEU   6  -4.207  -5.008  -0.499
   52   HD23  LEU   6          HD23      LEU   6  -5.789  -5.727  -0.808
   53    H    CYS   7           HN       CYS   7  -6.466  -2.180   4.159
   54    HA   CYS   7           HA       CYS   7  -7.005   0.396   2.817
   55    HB2  CYS   7           HB2      CYS   7  -9.032  -0.638   4.284
   56    HB3  CYS   7           HB1      CYS   7  -8.153   0.184   5.570
   57    H    GLY   8           HN       GLY   8  -5.322   1.700   3.262
   58    HA2  GLY   8           HA2      GLY   8  -3.555   2.707   4.456
   59    HA3  GLY   8           HA1      GLY   8  -4.181   1.941   5.916
   60    H    SER   9           HN       SER   9  -2.122   1.247   6.632
   61    HA   SER   9           HA       SER   9  -0.059   0.026   5.242
   62    HB2  SER   9           HB2      SER   9  -1.156  -0.664   7.979
   63    HB3  SER   9           HB1      SER   9   0.363  -1.299   7.355
   64    HG   SER   9           HG       SER   9  -0.353   1.322   8.061
   65    H    ASP  10           HN       ASP  10  -3.164  -1.438   6.120
   66    HA   ASP  10           HA       ASP  10  -2.623  -4.154   5.723
   67    HB2  ASP  10           HB2      ASP  10  -5.009  -2.420   5.142
   68    HB3  ASP  10           HB1      ASP  10  -5.040  -4.099   4.618
   69    H    LEU  11           HN       LEU  11  -3.463  -1.745   3.227
   70    HA   LEU  11           HA       LEU  11  -3.235  -3.452   0.994
   71    HB2  LEU  11           HB2      LEU  11  -4.164  -1.217   0.732
   72    HB3  LEU  11           HB1      LEU  11  -2.655  -0.486   1.262
   73    HG   LEU  11           HG       LEU  11  -1.510  -1.223  -0.729
   74   HD11  LEU  11          HD11      LEU  11  -2.386  -3.406  -1.087
   75   HD12  LEU  11          HD12      LEU  11  -2.834  -2.455  -2.489
   76   HD13  LEU  11          HD13      LEU  11  -4.031  -2.792  -1.246
   77   HD21  LEU  11          HD21      LEU  11  -2.921   0.799  -0.984
   78   HD22  LEU  11          HD22      LEU  11  -4.267  -0.222  -1.494
   79   HD23  LEU  11          HD23      LEU  11  -2.814  -0.117  -2.487
   80    H    VAL  12           HN       VAL  12  -0.742  -1.259   2.330
   81    HA   VAL  12           HA       VAL  12   1.401  -1.886   0.684
   82    HB   VAL  12           HB       VAL  12   1.622  -1.636   3.698
   83   HG11  VAL  12          HG11      VAL  12   3.839  -0.886   3.294
   84   HG12  VAL  12          HG12      VAL  12   3.540  -0.667   1.572
   85   HG13  VAL  12          HG13      VAL  12   3.655  -2.290   2.248
   86   HG21  VAL  12          HG21      VAL  12   0.220   0.175   2.641
   87   HG22  VAL  12          HG22      VAL  12   1.600   0.573   1.622
   88   HG23  VAL  12          HG23      VAL  12   1.711   0.768   3.369
   89    H    GLU  13           HN       GLU  13   0.956  -3.521   3.847
   90    HA   GLU  13           HA       GLU  13   2.782  -5.594   3.474
   91    HB2  GLU  13           HB2      GLU  13   0.055  -5.901   4.763
   92    HB3  GLU  13           HB1      GLU  13   1.484  -6.887   5.076
   93    HG2  GLU  13           HG2      GLU  13   2.672  -4.943   5.965
   94    HG3  GLU  13           HG1      GLU  13   1.300  -3.903   5.583
   95    H    ALA  14           HN       ALA  14  -0.338  -5.171   1.971
   96    HA   ALA  14           HA       ALA  14  -0.439  -7.926   0.975
   97    HB1  ALA  14           HB1      ALA  14  -2.231  -6.258  -0.502
   98    HB2  ALA  14           HB2      ALA  14  -2.251  -5.689   1.161
   99    HB3  ALA  14           HB3      ALA  14  -2.619  -7.374   0.812
  100    H    LEU  15           HN       LEU  15   0.016  -4.700  -0.602
  101    HA   LEU  15           HA       LEU  15   0.611  -5.697  -3.157
  102    HB2  LEU  15           HB2      LEU  15   1.719  -3.307  -1.687
  103    HB3  LEU  15           HB1      LEU  15   2.202  -3.678  -3.338
  104    HG   LEU  15           HG       LEU  15  -0.738  -3.522  -2.676
  105   HD11  LEU  15          HD11      LEU  15  -0.793  -1.157  -3.027
  106   HD12  LEU  15          HD12      LEU  15   0.896  -1.116  -3.527
  107   HD13  LEU  15          HD13      LEU  15   0.485  -1.413  -1.842
  108   HD21  LEU  15          HD21      LEU  15  -0.919  -2.913  -5.014
  109   HD22  LEU  15          HD22      LEU  15   0.122  -4.330  -4.913
  110   HD23  LEU  15          HD23      LEU  15   0.828  -2.735  -5.150
  111    H    TYR  16           HN       TYR  16   2.629  -5.549  -0.268
  112    HA   TYR  16           HA       TYR  16   5.152  -6.073  -1.348
  113    HB2  TYR  16           HB2      TYR  16   4.838  -5.666   1.021
  114    HB3  TYR  16           HB1      TYR  16   3.943  -7.173   1.194
  115    HD1  TYR  16           HD2      TYR  16   7.213  -5.998  -0.251
  116    HD2  TYR  16           HD1      TYR  16   5.142  -8.990   2.019
  117    HE1  TYR  16           HE2      TYR  16   9.346  -7.216   0.088
  118    HE2  TYR  16           HE1      TYR  16   7.273 -10.212   2.362
  119    HH   TYR  16           HH       TYR  16  10.257  -8.868   1.848
  120    H    LEU  17           HN       LEU  17   2.684  -8.564  -0.496
  121    HA   LEU  17           HA       LEU  17   4.313 -10.733  -1.503
  122    HB2  LEU  17           HB2      LEU  17   1.289 -10.605  -1.287
  123    HB3  LEU  17           HB1      LEU  17   2.247 -12.053  -1.505
  124    HG   LEU  17           HG       LEU  17   3.414 -11.497   0.681
  125   HD11  LEU  17          HD11      LEU  17   1.338  -9.329   0.597
  126   HD12  LEU  17          HD12      LEU  17   2.983  -9.283   1.208
  127   HD13  LEU  17          HD13      LEU  17   1.722 -10.055   2.155
  128   HD21  LEU  17          HD21      LEU  17   1.856 -13.272   0.760
  129   HD22  LEU  17          HD22      LEU  17   0.485 -12.209   0.460
  130   HD23  LEU  17          HD23      LEU  17   1.288 -12.188   2.028
  131    H    VAL  18           HN       VAL  18   1.549  -8.947  -2.846
  132    HA   VAL  18           HA       VAL  18   1.346 -10.169  -5.350
  133    HB   VAL  18           HB       VAL  18   1.106  -7.204  -4.791
  134   HG11  VAL  18          HG11      VAL  18  -0.381  -8.880  -6.802
  135   HG12  VAL  18          HG12      VAL  18   1.075  -7.970  -7.195
  136   HG13  VAL  18          HG13      VAL  18  -0.367  -7.128  -6.653
  137   HG21  VAL  18          HG21      VAL  18  -0.215  -8.595  -3.207
  138   HG22  VAL  18          HG22      VAL  18  -0.989  -9.379  -4.583
  139   HG23  VAL  18          HG23      VAL  18  -1.243  -7.660  -4.291
  140    H    CYS  19           HN       CYS  19   3.221  -7.211  -4.677
  141    HA   CYS  19           HA       CYS  19   4.612  -7.379  -7.220
  142    HB2  CYS  19           HB2      CYS  19   5.505  -5.726  -4.865
  143    HB3  CYS  19           HB1      CYS  19   5.636  -5.361  -6.580
  144    H    GLY  20           HN       GLY  20   5.161  -8.567  -4.022
  145    HA2  GLY  20           HA2      GLY  20   6.942  -9.776  -3.088
  146    HA3  GLY  20           HA1      GLY  20   7.152 -10.401  -4.720
  147    H    GLU  21           HN       GLU  21   9.212 -10.149  -5.380
  148    HA   GLU  21           HA       GLU  21  10.963  -8.153  -4.166
  149    HB2  GLU  21           HB2      GLU  21  11.386 -10.144  -6.408
  150    HB3  GLU  21           HB1      GLU  21  12.656  -9.114  -5.747
  151    HG2  GLU  21           HG2      GLU  21  12.321 -10.093  -3.523
  152    HG3  GLU  21           HG1      GLU  21  11.006 -11.091  -4.146
  153    H    ARG  22           HN       ARG  22   8.907  -8.233  -6.928
  154    HA   ARG  22           HA       ARG  22  10.311  -6.588  -8.739
  155    HB2  ARG  22           HB2      ARG  22   7.338  -6.594  -8.136
  156    HB3  ARG  22           HB1      ARG  22   8.084  -5.909  -9.578
  157    HG2  ARG  22           HG2      ARG  22   8.720  -8.015 -10.410
  158    HG3  ARG  22           HG1      ARG  22   8.578  -8.791  -8.834
  159    HD2  ARG  22           HD2      ARG  22   6.329  -9.167  -9.097
  160    HD3  ARG  22           HD1      ARG  22   6.055  -7.591  -9.833
  161    HE   ARG  22           HE       ARG  22   7.420  -8.990 -11.789
  162   HH11  ARG  22          HH21      ARG  22   4.628  -9.510  -9.834
  163   HH12  ARG  22          HH22      ARG  22   3.803 -10.453 -11.030
  164   HH21  ARG  22          HH11      ARG  22   6.359 -10.215 -13.362
  165   HH22  ARG  22          HH12      ARG  22   4.783 -10.852 -13.028
  166    H    GLY  23           HN       GLY  23   8.742  -5.793  -5.711
  167    HA2  GLY  23           HA2      GLY  23   8.931  -3.803  -4.462
  168    HA3  GLY  23           HA1      GLY  23   9.977  -3.152  -5.729
  169    H    PHE  24           HN       PHE  24   7.783  -1.700  -4.481
  170    HA   PHE  24           HA       PHE  24   6.347  -0.967  -6.932
  171    HB2  PHE  24           HB2      PHE  24   4.133  -1.336  -6.034
  172    HB3  PHE  24           HB1      PHE  24   5.034  -2.845  -5.933
  173    HD1  PHE  24           HD1      PHE  24   5.854  -3.694  -3.781
  174    HD2  PHE  24           HD2      PHE  24   3.573  -0.060  -4.019
  175    HE1  PHE  24           HE1      PHE  24   5.479  -3.767  -1.333
  176    HE2  PHE  24           HE2      PHE  24   3.191  -0.148  -1.568
  177    HZ   PHE  24           HZ       PHE  24   4.145  -1.996  -0.232
  178    H    PHE  25           HN       PHE  25   4.769   0.847  -6.388
  179    HA   PHE  25           HA       PHE  25   5.965   2.652  -4.315
  180    HB2  PHE  25           HB2      PHE  25   5.171   4.507  -5.808
  181    HB3  PHE  25           HB1      PHE  25   6.393   3.487  -6.570
  182    HD1  PHE  25           HD1      PHE  25   2.743   4.196  -6.394
  183    HD2  PHE  25           HD2      PHE  25   5.883   2.135  -8.482
  184    HE1  PHE  25           HE1      PHE  25   1.161   3.653  -8.234
  185    HE2  PHE  25           HE2      PHE  25   4.307   1.598 -10.320
  186    HZ   PHE  25           HZ       PHE  25   1.950   2.356 -10.196
  187    H    TYR  26           HN       TYR  26   4.548   3.521  -2.832
  188    HA   TYR  26           HA       TYR  26   1.811   2.506  -2.821
  189    HB2  TYR  26           HB2      TYR  26   3.336   3.086  -0.759
  190    HB3  TYR  26           HB1      TYR  26   2.774   4.737  -1.019
  191    HD1  TYR  26           HD1      TYR  26   1.426   1.235  -0.810
  192    HD2  TYR  26           HD2      TYR  26   0.761   5.402   0.017
  193    HE1  TYR  26           HE1      TYR  26  -0.710   0.689   0.323
  194    HE2  TYR  26           HE2      TYR  26  -1.364   4.840   1.155
  195    HH   TYR  26           HH       TYR  26  -2.659   3.194   1.914
  196    H    THR  27           HN       THR  27  -0.013   4.245  -2.494
  197    HA   THR  27           HA       THR  27  -0.078   5.814  -4.881
  198    HB   THR  27           HB       THR  27  -2.116   5.002  -3.783
  199    HG1  THR  27           HG1      THR  27  -1.928   7.822  -3.840
  200   HG21  THR  27          HG21      THR  27  -1.433   7.040  -1.640
  201   HG22  THR  27          HG22      THR  27  -1.414   5.292  -1.449
  202   HG23  THR  27          HG23      THR  27  -2.933   6.122  -1.739
  203    H    ASP  28           HN       ASP  28  -0.668   8.280  -4.693
  204    HA   ASP  28           HA       ASP  28   1.580   9.723  -4.152
  205    HB2  ASP  28           HB2      ASP  28  -1.094  10.329  -4.826
  206    HB3  ASP  28           HB1      ASP  28  -0.735  11.363  -3.447
  207    HA   PRO  29           HA       PRO  29   1.901   9.876   0.323
  208    HB2  PRO  29           HB2      PRO  29   3.514  12.111   0.591
  209    HB3  PRO  29           HB1      PRO  29   4.116  10.527   0.079
  210    HG2  PRO  29           HG2      PRO  29   3.624  12.971  -1.563
  211    HG3  PRO  29           HG1      PRO  29   4.781  11.659  -1.828
  212    HD2  PRO  29           HD2      PRO  29   2.322  11.969  -3.185
  213    HD3  PRO  29           HD1      PRO  29   3.312  10.493  -3.130
  214    H    THR  30           HN       THR  30   0.342  12.270  -1.521
  215    HA   THR  30           HA       THR  30  -0.053  14.407   0.245
  216    HB   THR  30           HB       THR  30  -2.037  14.930  -1.033
  217    HG1  THR  30           HG1      THR  30  -2.656  13.190  -2.594
  218   HG21  THR  30          HG21      THR  30  -1.124  14.778  -3.297
  219   HG22  THR  30          HG22      THR  30  -0.027  13.495  -2.790
  220   HG23  THR  30          HG23      THR  30   0.174  15.127  -2.156
  221    H    GLY  31           HN       GLY  31  -1.869  11.342   0.144
  222    HA2  GLY  31           HA2      GLY  31  -3.184  10.360   1.835
  223    HA3  GLY  31           HA1      GLY  31  -2.482  11.523   2.952
  224    H    GLY  32           HN       GLY  32  -3.539  13.653   0.887
  225    HA2  GLY  32           HA2      GLY  32  -6.199  13.903   2.201
  226    HA3  GLY  32           HA1      GLY  32  -5.344  15.195   1.356
  227    H    GLY  33           HN       GLY  33  -4.747  13.074  -0.779
  228    HA2  GLY  33           HA2      GLY  33  -7.229  12.288  -1.973
  229    HA3  GLY  33           HA1      GLY  33  -6.676  13.803  -2.694
  230    HA   PRO  34           HA       PRO  34  -3.016  10.869  -3.590
  231    HB2  PRO  34           HB2      PRO  34  -3.188   8.294  -2.551
  232    HB3  PRO  34           HB1      PRO  34  -2.351   9.627  -1.754
  233    HG2  PRO  34           HG2      PRO  34  -5.016   8.428  -1.148
  234    HG3  PRO  34           HG1      PRO  34  -3.861   9.203  -0.050
  235    HD2  PRO  34           HD2      PRO  34  -6.184  10.425  -1.006
  236    HD3  PRO  34           HD1      PRO  34  -4.759  11.289  -0.391
  237    H    ARG  35           HN       ARG  35  -2.814   8.530  -4.772
  238    HA   ARG  35           HA       ARG  35  -4.705   8.492  -6.892
  239    HB2  ARG  35           HB2      ARG  35  -2.327   7.399  -6.701
  240    HB3  ARG  35           HB1      ARG  35  -3.194   6.014  -6.043
  241    HG2  ARG  35           HG2      ARG  35  -4.606   5.933  -8.059
  242    HG3  ARG  35           HG1      ARG  35  -3.735   7.308  -8.733
  243    HD2  ARG  35           HD2      ARG  35  -1.615   5.757  -8.239
  244    HD3  ARG  35           HD1      ARG  35  -2.811   4.470  -8.370
  245    HE   ARG  35           HE       ARG  35  -1.621   5.836 -10.550
  246   HH11  ARG  35          HH21      ARG  35  -4.769   4.968  -9.428
  247   HH12  ARG  35          HH22      ARG  35  -5.515   5.191 -10.970
  248   HH21  ARG  35          HH11      ARG  35  -2.579   6.102 -12.562
  249   HH22  ARG  35          HH12      ARG  35  -4.279   5.821 -12.743
  250    H    ARG  36           HN       ARG  36  -6.800   8.497  -5.832
  251    HA   ARG  36           HA       ARG  36  -7.647   6.553  -3.928
  252    HB2  ARG  36           HB2      ARG  36  -9.460   7.714  -6.060
  253    HB3  ARG  36           HB1      ARG  36  -9.877   7.246  -4.412
  254    HG2  ARG  36           HG2      ARG  36  -8.452   9.067  -3.536
  255    HG3  ARG  36           HG1      ARG  36  -8.056   9.541  -5.188
  256    HD2  ARG  36           HD2      ARG  36 -10.787   9.597  -3.883
  257    HD3  ARG  36           HD1      ARG  36  -9.841  10.978  -4.435
  258    HE   ARG  36           HE       ARG  36 -10.165   9.436  -6.718
  259   HH11  ARG  36          HH21      ARG  36 -12.208  10.801  -4.300
  260   HH12  ARG  36          HH22      ARG  36 -13.556  11.010  -5.367
  261   HH21  ARG  36          HH11      ARG  36 -11.912   9.698  -8.126
  262   HH22  ARG  36          HH12      ARG  36 -13.389  10.384  -7.534
  263    H    GLY  37           HN       GLY  37  -6.626   6.166  -7.062
  264    HA2  GLY  37           HA2      GLY  37  -8.411   4.131  -8.018
  265    HA3  GLY  37           HA1      GLY  37  -6.778   4.416  -8.613
  266    H    ILE  38           HN       ILE  38  -5.688   4.041  -5.784
  267    HA   ILE  38           HA       ILE  38  -5.729   1.063  -5.881
  268    HB   ILE  38           HB       ILE  38  -3.591   2.765  -5.869
  269   HG12  ILE  38          HG12      ILE  38  -3.161   0.554  -6.474
  270   HG13  ILE  38          HG11      ILE  38  -2.248   0.708  -4.991
  271   HG21  ILE  38          HG21      ILE  38  -3.876   1.882  -2.982
  272   HG22  ILE  38          HG22      ILE  38  -3.919   3.536  -3.582
  273   HG23  ILE  38          HG23      ILE  38  -2.440   2.598  -3.701
  274   HD11  ILE  38          HD11      ILE  38  -3.316  -1.245  -4.484
  275   HD12  ILE  38          HD12      ILE  38  -4.659  -0.934  -5.575
  276   HD13  ILE  38          HD13      ILE  38  -4.615  -0.176  -3.985
  277    H    VAL  39           HN       VAL  39  -5.659   3.616  -3.350
  278    HA   VAL  39           HA       VAL  39  -6.289   1.845  -1.230
  279    HB   VAL  39           HB       VAL  39  -7.124   4.745  -1.274
  280   HG11  VAL  39          HG11      VAL  39  -7.737   3.324   0.674
  281   HG12  VAL  39          HG12      VAL  39  -6.596   4.596   1.112
  282   HG13  VAL  39          HG13      VAL  39  -6.032   2.938   0.904
  283   HG21  VAL  39          HG21      VAL  39  -4.693   5.020  -0.305
  284   HG22  VAL  39          HG22      VAL  39  -4.917   4.948  -2.050
  285   HG23  VAL  39          HG23      VAL  39  -4.363   3.520  -1.175
  286    H    GLU  40           HN       GLU  40  -8.591   4.224  -2.644
  287    HA   GLU  40           HA       GLU  40 -10.867   3.137  -1.378
  288    HB2  GLU  40           HB2      GLU  40 -10.684   4.510  -4.072
  289    HB3  GLU  40           HB1      GLU  40 -12.181   4.228  -3.184
  290    HG2  GLU  40           HG2      GLU  40 -11.055   5.469  -1.227
  291    HG3  GLU  40           HG1      GLU  40  -9.860   6.001  -2.411
  292    H    GLN  41           HN       GLN  41  -9.545   2.343  -4.602
  293    HA   GLN  41           HA       GLN  41 -11.494   0.568  -5.493
  294    HB2  GLN  41           HB2      GLN  41  -9.369   1.227  -6.696
  295    HB3  GLN  41           HB1      GLN  41  -8.523   0.011  -5.737
  296    HG2  GLN  41           HG2      GLN  41 -10.082  -1.719  -6.595
  297    HG3  GLN  41           HG1      GLN  41 -10.875  -0.497  -7.586
  298   HE21  GLN  41          HE21      GLN  41 -10.252  -1.028  -9.671
  299   HE22  GLN  41          HE22      GLN  41  -8.646  -1.213 -10.165
  300    H    CYS  42           HN       CYS  42  -8.630  -0.391  -3.560
  301    HA   CYS  42           HA       CYS  42  -9.843  -3.012  -3.046
  302    HB2  CYS  42           HB2      CYS  42  -7.291  -1.801  -1.961
  303    HB3  CYS  42           HB1      CYS  42  -7.770  -3.495  -1.872
  304    H    CYS  43           HN       CYS  43  -9.524   0.033  -1.304
  305    HA   CYS  43           HA       CYS  43 -10.244  -1.211   1.264
  306    HB2  CYS  43           HB2      CYS  43  -8.789   0.791   1.255
  307    HB3  CYS  43           HB1      CYS  43 -10.083   1.724   0.496
  308    H    HIS  44           HN       HIS  44 -11.810   1.089  -0.988
  309    HA   HIS  44           HA       HIS  44 -14.351   0.965   0.375
  310    HB2  HIS  44           HB2      HIS  44 -13.549   2.787  -1.233
  311    HB3  HIS  44           HB1      HIS  44 -13.939   1.670  -2.538
  312    HD2  HIS  44           HD2      HIS  44 -15.692   4.495  -1.117
  313    HE1  HIS  44           HE1      HIS  44 -18.784   1.641  -1.461
  314    HE2  HIS  44           HE2      HIS  44 -18.264   4.106  -1.113
  315    H    SER  45           HN       SER  45 -12.788  -0.971  -2.087
  316    HA   SER  45           HA       SER  45 -15.144  -2.822  -2.054
  317    HB2  SER  45           HB2      SER  45 -13.608  -2.255  -4.592
  318    HB3  SER  45           HB1      SER  45 -15.160  -3.066  -4.409
  319    HG   SER  45           HG       SER  45 -15.159  -0.565  -3.340
  320    H    ILE  46           HN       ILE  46 -14.540  -5.041  -2.685
  321    HA   ILE  46           HA       ILE  46 -11.883  -5.737  -1.656
  322    HB   ILE  46           HB       ILE  46 -13.810  -7.724  -2.869
  323   HG12  ILE  46          HG12      ILE  46 -15.151  -6.165  -1.388
  324   HG13  ILE  46          HG11      ILE  46 -15.123  -7.838  -0.853
  325   HG21  ILE  46          HG21      ILE  46 -11.729  -8.626  -2.075
  326   HG22  ILE  46          HG22      ILE  46 -12.985  -9.076  -0.925
  327   HG23  ILE  46          HG23      ILE  46 -11.872  -7.767  -0.541
  328   HD11  ILE  46          HD11      ILE  46 -14.753  -6.135   0.981
  329   HD12  ILE  46          HD12      ILE  46 -13.217  -5.745   0.214
  330   HD13  ILE  46          HD13      ILE  46 -13.497  -7.364   0.850
  331    H    CYS  47           HN       CYS  47 -10.318  -5.201  -3.198
  332    HA   CYS  47           HA       CYS  47 -10.760  -5.973  -6.025
  333    HB2  CYS  47           HB2      CYS  47  -8.852  -4.669  -6.538
  334    HB3  CYS  47           HB1      CYS  47  -9.651  -3.774  -5.250
  335    H    SER  48           HN       SER  48  -9.469  -7.525  -7.099
  336    HA   SER  48           HA       SER  48  -8.411  -9.640  -5.364
  337    HB2  SER  48           HB2      SER  48  -7.843 -10.628  -7.739
  338    HB3  SER  48           HB1      SER  48  -9.520 -10.537  -7.218
  339    HG   SER  48           HG       SER  48  -8.403  -8.321  -8.502
  340    H    LEU  49           HN       LEU  49  -6.202 -10.566  -5.901
  341    HA   LEU  49           HA       LEU  49  -4.163  -8.648  -5.502
  342    HB2  LEU  49           HB2      LEU  49  -3.787 -11.340  -6.838
  343    HB3  LEU  49           HB1      LEU  49  -2.592 -10.435  -5.913
  344    HG   LEU  49           HG       LEU  49  -5.060 -11.853  -4.887
  345   HD11  LEU  49          HD11      LEU  49  -3.433 -12.940  -3.404
  346   HD12  LEU  49          HD12      LEU  49  -2.142 -11.929  -4.054
  347   HD13  LEU  49          HD13      LEU  49  -2.925 -13.128  -5.083
  348   HD21  LEU  49          HD21      LEU  49  -3.391  -9.711  -3.577
  349   HD22  LEU  49          HD22      LEU  49  -4.296 -10.893  -2.632
  350   HD23  LEU  49          HD23      LEU  49  -5.148  -9.782  -3.702
  351    H    TYR  50           HN       TYR  50  -5.536 -10.027  -8.397
  352    HA   TYR  50           HA       TYR  50  -3.800  -9.367 -10.410
  353    HB2  TYR  50           HB2      TYR  50  -6.247 -10.320 -10.384
  354    HB3  TYR  50           HB1      TYR  50  -6.720  -8.640 -10.640
  355    HD1  TYR  50           HD2      TYR  50  -4.778 -11.448 -11.933
  356    HD2  TYR  50           HD1      TYR  50  -6.337  -7.553 -12.724
  357    HE1  TYR  50           HE2      TYR  50  -4.204 -11.724 -14.345
  358    HE2  TYR  50           HE1      TYR  50  -5.774  -7.797 -15.135
  359    HH   TYR  50           HH       TYR  50  -3.684 -10.029 -16.308
  360    H    GLN  51           HN       GLN  51  -6.320  -7.211  -9.159
  361    HA   GLN  51           HA       GLN  51  -5.460  -4.891 -10.582
  362    HB2  GLN  51           HB2      GLN  51  -6.741  -4.775  -7.846
  363    HB3  GLN  51           HB1      GLN  51  -6.935  -3.672  -9.205
  364    HG2  GLN  51           HG2      GLN  51  -7.927  -5.639 -10.504
  365    HG3  GLN  51           HG1      GLN  51  -8.008  -6.483  -8.961
  366   HE21  GLN  51          HE21      GLN  51  -8.818  -3.185 -10.157
  367   HE22  GLN  51          HE22      GLN  51 -10.328  -3.116  -9.391
  368    H    LEU  52           HN       LEU  52  -4.617  -6.105  -7.352
  369    HA   LEU  52           HA       LEU  52  -2.948  -3.904  -6.653
  370    HB2  LEU  52           HB2      LEU  52  -2.778  -6.805  -5.829
  371    HB3  LEU  52           HB1      LEU  52  -1.893  -5.493  -5.059
  372    HG   LEU  52           HG       LEU  52  -4.914  -5.732  -5.227
  373   HD11  LEU  52          HD11      LEU  52  -3.747  -7.274  -3.661
  374   HD12  LEU  52          HD12      LEU  52  -4.791  -6.111  -2.845
  375   HD13  LEU  52          HD13      LEU  52  -3.045  -5.872  -2.852
  376   HD21  LEU  52          HD21      LEU  52  -4.656  -3.430  -5.117
  377   HD22  LEU  52          HD22      LEU  52  -3.069  -3.542  -4.371
  378   HD23  LEU  52          HD23      LEU  52  -4.518  -3.794  -3.397
  379    H    GLU  53           HN       GLU  53  -2.487  -6.759  -8.578
  380    HA   GLU  53           HA       GLU  53   0.369  -6.521  -8.831
  381    HB2  GLU  53           HB2      GLU  53  -1.606  -8.385  -9.572
  382    HB3  GLU  53           HB1      GLU  53  -0.991  -7.802 -11.116
  383    HG2  GLU  53           HG2      GLU  53   1.375  -8.232  -9.951
  384    HG3  GLU  53           HG1      GLU  53   0.429  -9.325  -8.942
  385    H    ASN  54           HN       ASN  54  -2.183  -4.687  -9.919
  386    HA   ASN  54           HA       ASN  54  -1.132  -3.867 -12.496
  387    HB2  ASN  54           HB2      ASN  54  -3.577  -3.750 -11.561
  388    HB3  ASN  54           HB1      ASN  54  -3.055  -2.233 -10.829
  389   HD21  ASN  54          HD21      ASN  54  -5.037  -2.523 -12.989
  390   HD22  ASN  54          HD22      ASN  54  -4.424  -1.683 -14.327
  391    H    TYR  55           HN       TYR  55  -0.738  -2.833  -9.172
  392    HA   TYR  55           HA       TYR  55   0.779  -0.413 -10.050
  393    HB2  TYR  55           HB2      TYR  55   0.105  -1.196  -7.212
  394    HB3  TYR  55           HB1      TYR  55   0.494   0.401  -7.841
  395    HD1  TYR  55           HD2      TYR  55  -2.032  -2.253  -7.758
  396    HD2  TYR  55           HD1      TYR  55  -1.154   1.749  -8.955
  397    HE1  TYR  55           HE2      TYR  55  -4.455  -1.876  -8.209
  398    HE2  TYR  55           HE1      TYR  55  -3.561   2.145  -9.421
  399    HH   TYR  55           HH       TYR  55  -5.580   1.197  -9.602
  400    H    CYS  56           HN       CYS  56   1.497  -3.573  -9.635
  401    HA   CYS  56           HA       CYS  56   3.843  -3.288  -7.898
  402    HB2  CYS  56           HB2      CYS  56   2.870  -5.530  -9.686
  403    HB3  CYS  56           HB1      CYS  56   4.342  -5.623  -8.729
  404    H    ASN  57           HN       ASN  57   5.538  -2.116  -8.684
  405    HA   ASN  57           HA       ASN  57   7.122  -1.275 -10.207
  406    HB2  ASN  57           HB2      ASN  57   7.977  -3.550 -10.024
  407    HB3  ASN  57           HB1      ASN  57   6.805  -4.120 -11.213
  408   HD21  ASN  57          HD21      ASN  57   9.909  -2.580 -10.815
  409   HD22  ASN  57          HD22      ASN  57  10.241  -2.367 -12.466
  Start of MODEL    5
    1    H1   PHE   1           HT1      PHE   1  -5.488 -12.104   3.433
    2    H2   PHE   1           HT2      PHE   1  -5.074 -13.471   2.514
    3    H3   PHE   1           HT3      PHE   1  -6.691 -12.955   2.594
    4    HA   PHE   1           HA       PHE   1  -5.721 -10.757   1.637
    5    HB2  PHE   1           HB2      PHE   1  -3.403 -11.845   1.831
    6    HB3  PHE   1           HB1      PHE   1  -3.851 -12.831   0.451
    7    HD1  PHE   1           HD2      PHE   1  -5.512  -9.926  -0.370
    8    HD2  PHE   1           HD1      PHE   1  -1.513 -11.354   0.201
    9    HE1  PHE   1           HE2      PHE   1  -4.671  -8.172  -1.836
   10    HE2  PHE   1           HE1      PHE   1  -0.670  -9.579  -1.273
   11    HZ   PHE   1           HZ       PHE   1  -2.240  -7.979  -2.294
   12    H    VAL   2           HN       VAL   2  -7.760 -12.897   1.523
   13    HA   VAL   2           HA       VAL   2  -7.908 -13.540  -1.379
   14    HB   VAL   2           HB       VAL   2 -10.001 -14.846  -0.420
   15   HG11  VAL   2          HG11      VAL   2  -7.121 -15.598   0.150
   16   HG12  VAL   2          HG12      VAL   2  -8.041 -15.976  -1.306
   17   HG13  VAL   2          HG13      VAL   2  -8.475 -16.725   0.231
   18   HG21  VAL   2          HG21      VAL   2  -8.326 -14.759   2.091
   19   HG22  VAL   2          HG22      VAL   2 -10.000 -15.278   1.894
   20   HG23  VAL   2          HG23      VAL   2  -9.597 -13.564   1.840
   21    H    ASN   3           HN       ASN   3 -10.748 -13.168   0.606
   22    HA   ASN   3           HA       ASN   3 -11.717 -11.012  -1.213
   23    HB2  ASN   3           HB2      ASN   3 -13.366 -12.690   0.688
   24    HB3  ASN   3           HB1      ASN   3 -13.940 -11.712  -0.660
   25   HD21  ASN   3          HD21      ASN   3 -14.218 -12.801  -2.599
   26   HD22  ASN   3          HD22      ASN   3 -13.539 -14.309  -2.979
   27    H    GLN   4           HN       GLN   4  -9.954 -10.633   1.167
   28    HA   GLN   4           HA       GLN   4 -11.751  -9.187   3.036
   29    HB2  GLN   4           HB2      GLN   4  -9.318  -8.792   4.108
   30    HB3  GLN   4           HB1      GLN   4 -10.210 -10.289   4.350
   31    HG2  GLN   4           HG2      GLN   4  -9.004 -11.355   2.504
   32    HG3  GLN   4           HG1      GLN   4  -8.148  -9.847   2.171
   33   HE21  GLN   4          HE21      GLN   4  -7.930 -12.772   3.860
   34   HE22  GLN   4          HE22      GLN   4  -6.703 -12.343   4.949
   35    H    HIS   5           HN       HIS   5 -11.171  -6.970   3.648
   36    HA   HIS   5           HA       HIS   5 -10.495  -5.369   1.256
   37    HB2  HIS   5           HB2      HIS   5 -11.265  -3.477   2.784
   38    HB3  HIS   5           HB1      HIS   5 -12.487  -4.677   2.376
   39    HD2  HIS   5           HD2      HIS   5 -13.123  -6.502   4.532
   40    HE1  HIS   5           HE1      HIS   5 -11.156  -4.231   7.502
   41    HE2  HIS   5           HE2      HIS   5 -12.750  -6.167   7.083
   42    H    LEU   6           HN       LEU   6  -8.655  -4.189   1.065
   43    HA   LEU   6           HA       LEU   6  -6.647  -4.312   3.267
   44    HB2  LEU   6           HB2      LEU   6  -6.545  -3.950   0.291
   45    HB3  LEU   6           HB1      LEU   6  -5.280  -3.211   1.239
   46    HG   LEU   6           HG       LEU   6  -4.373  -5.245   1.907
   47   HD11  LEU   6          HD11      LEU   6  -6.016  -6.455   2.995
   48   HD12  LEU   6          HD12      LEU   6  -5.792  -7.436   1.555
   49   HD13  LEU   6          HD13      LEU   6  -7.151  -6.323   1.655
   50   HD21  LEU   6          HD21      LEU   6  -4.102  -5.114  -0.496
   51   HD22  LEU   6          HD22      LEU   6  -5.714  -5.786  -0.758
   52   HD23  LEU   6          HD23      LEU   6  -4.456  -6.774  -0.065
   53    H    CYS   7           HN       CYS   7  -6.179  -2.483   4.411
   54    HA   CYS   7           HA       CYS   7  -6.724   0.167   3.211
   55    HB2  CYS   7           HB2      CYS   7  -8.694  -0.923   4.721
   56    HB3  CYS   7           HB1      CYS   7  -7.751  -0.158   5.997
   57    H    GLY   8           HN       GLY   8  -5.014   1.440   3.645
   58    HA2  GLY   8           HA2      GLY   8  -3.190   2.379   4.809
   59    HA3  GLY   8           HA1      GLY   8  -3.747   1.533   6.252
   60    H    SER   9           HN       SER   9  -1.634   0.814   6.813
   61    HA   SER   9           HA       SER   9   0.336  -0.342   5.243
   62    HB2  SER   9           HB2      SER   9  -0.586  -1.224   7.992
   63    HB3  SER   9           HB1      SER   9   0.923  -1.735   7.243
   64    HG   SER   9           HG       SER   9   1.535   0.450   7.150
   65    H    ASP  10           HN       ASP  10  -2.724  -1.826   6.214
   66    HA   ASP  10           HA       ASP  10  -2.251  -4.525   5.680
   67    HB2  ASP  10           HB2      ASP  10  -4.626  -2.734   5.220
   68    HB3  ASP  10           HB1      ASP  10  -4.701  -4.414   4.706
   69    H    LEU  11           HN       LEU  11  -3.155  -2.006   3.318
   70    HA   LEU  11           HA       LEU  11  -3.040  -3.625   1.011
   71    HB2  LEU  11           HB2      LEU  11  -3.951  -1.368   0.878
   72    HB3  LEU  11           HB1      LEU  11  -2.409  -0.678   1.369
   73    HG   LEU  11           HG       LEU  11  -1.362  -1.365  -0.696
   74   HD11  LEU  11          HD11      LEU  11  -3.939  -2.859  -1.154
   75   HD12  LEU  11          HD12      LEU  11  -2.300  -3.509  -1.108
   76   HD13  LEU  11          HD13      LEU  11  -2.804  -2.491  -2.444
   77   HD21  LEU  11          HD21      LEU  11  -4.121  -0.267  -1.302
   78   HD22  LEU  11          HD22      LEU  11  -2.709  -0.152  -2.351
   79   HD23  LEU  11          HD23      LEU  11  -2.730   0.700  -0.807
   80    H    VAL  12           HN       VAL  12  -0.466  -1.511   2.327
   81    HA   VAL  12           HA       VAL  12   1.598  -2.101   0.571
   82    HB   VAL  12           HB       VAL  12   1.968  -2.000   3.576
   83   HG11  VAL  12          HG11      VAL  12   3.908  -2.548   1.951
   84   HG12  VAL  12          HG12      VAL  12   4.155  -1.232   3.095
   85   HG13  VAL  12          HG13      VAL  12   3.755  -0.874   1.417
   86   HG21  VAL  12          HG21      VAL  12   1.608   0.245   1.571
   87   HG22  VAL  12          HG22      VAL  12   2.150   0.472   3.232
   88   HG23  VAL  12          HG23      VAL  12   0.530  -0.142   2.910
   89    H    GLU  13           HN       GLU  13   1.252  -3.856   3.678
   90    HA   GLU  13           HA       GLU  13   3.031  -5.937   3.155
   91    HB2  GLU  13           HB2      GLU  13   0.352  -6.168   4.560
   92    HB3  GLU  13           HB1      GLU  13   1.690  -7.308   4.708
   93    HG2  GLU  13           HG2      GLU  13   3.125  -5.437   5.552
   94    HG3  GLU  13           HG1      GLU  13   1.705  -4.390   5.529
   95    H    ALA  14           HN       ALA  14  -0.184  -5.453   1.842
   96    HA   ALA  14           HA       ALA  14  -0.334  -8.150   0.726
   97    HB1  ALA  14           HB1      ALA  14  -2.118  -5.912   1.060
   98    HB2  ALA  14           HB2      ALA  14  -2.513  -7.576   0.650
   99    HB3  ALA  14           HB3      ALA  14  -2.158  -6.410  -0.628
  100    H    LEU  15           HN       LEU  15   0.087  -4.874  -0.758
  101    HA   LEU  15           HA       LEU  15   0.569  -5.779  -3.364
  102    HB2  LEU  15           HB2      LEU  15   1.771  -3.457  -1.862
  103    HB3  LEU  15           HB1      LEU  15   2.183  -3.781  -3.542
  104    HG   LEU  15           HG       LEU  15  -0.726  -3.604  -2.761
  105   HD11  LEU  15          HD11      LEU  15   0.568  -1.539  -1.912
  106   HD12  LEU  15          HD12      LEU  15  -0.759  -1.230  -3.027
  107   HD13  LEU  15          HD13      LEU  15   0.904  -1.193  -3.606
  108   HD21  LEU  15          HD21      LEU  15   0.004  -4.351  -5.050
  109   HD22  LEU  15          HD22      LEU  15   0.772  -2.783  -5.266
  110   HD23  LEU  15          HD23      LEU  15  -0.975  -2.889  -5.070
  111    H    TYR  16           HN       TYR  16   2.728  -5.734  -0.572
  112    HA   TYR  16           HA       TYR  16   5.187  -6.260  -1.773
  113    HB2  TYR  16           HB2      TYR  16   4.982  -5.942   0.620
  114    HB3  TYR  16           HB1      TYR  16   4.066  -7.438   0.774
  115    HD1  TYR  16           HD2      TYR  16   7.296  -6.264  -0.759
  116    HD2  TYR  16           HD1      TYR  16   5.263  -9.309   1.476
  117    HE1  TYR  16           HE2      TYR  16   9.418  -7.531  -0.555
  118    HE2  TYR  16           HE1      TYR  16   7.382 -10.580   1.683
  119    HH   TYR  16           HH       TYR  16  10.442  -9.213   0.677
  120    H    LEU  17           HN       LEU  17   2.720  -8.752  -0.917
  121    HA   LEU  17           HA       LEU  17   4.284 -10.896  -2.079
  122    HB2  LEU  17           HB2      LEU  17   1.273 -10.769  -1.730
  123    HB3  LEU  17           HB1      LEU  17   2.223 -12.208  -2.022
  124    HG   LEU  17           HG       LEU  17   3.470 -11.707   0.132
  125   HD11  LEU  17          HD11      LEU  17   1.404  -9.535   0.172
  126   HD12  LEU  17          HD12      LEU  17   3.060  -9.520   0.752
  127   HD13  LEU  17          HD13      LEU  17   1.811 -10.311   1.699
  128   HD21  LEU  17          HD21      LEU  17   1.404 -12.443   1.540
  129   HD22  LEU  17          HD22      LEU  17   1.918 -13.489   0.218
  130   HD23  LEU  17          HD23      LEU  17   0.535 -12.420   0.006
  131    H    VAL  18           HN       VAL  18   1.470  -9.047  -3.212
  132    HA   VAL  18           HA       VAL  18   1.140 -10.171  -5.747
  133    HB   VAL  18           HB       VAL  18   0.928  -7.239  -5.041
  134   HG11  VAL  18          HG11      VAL  18   0.829  -7.602  -7.404
  135   HG12  VAL  18          HG12      VAL  18  -0.790  -7.247  -6.824
  136   HG13  VAL  18          HG13      VAL  18  -0.332  -8.905  -7.208
  137   HG21  VAL  18          HG21      VAL  18  -1.167  -9.413  -4.929
  138   HG22  VAL  18          HG22      VAL  18  -1.403  -7.714  -4.523
  139   HG23  VAL  18          HG23      VAL  18  -0.363  -8.724  -3.521
  140    H    CYS  19           HN       CYS  19   3.052  -7.238  -5.057
  141    HA   CYS  19           HA       CYS  19   4.301  -7.302  -7.680
  142    HB2  CYS  19           HB2      CYS  19   5.281  -5.736  -5.296
  143    HB3  CYS  19           HB1      CYS  19   5.396  -5.321  -7.000
  144    H    GLY  20           HN       GLY  20   5.025  -8.608  -4.553
  145    HA2  GLY  20           HA2      GLY  20   6.834  -9.889  -3.786
  146    HA3  GLY  20           HA1      GLY  20   7.013 -10.375  -5.469
  147    H    GLU  21           HN       GLU  21   9.164 -10.171  -5.883
  148    HA   GLU  21           HA       GLU  21  10.808  -8.102  -4.684
  149    HB2  GLU  21           HB2      GLU  21  11.310 -10.071  -6.929
  150    HB3  GLU  21           HB1      GLU  21  12.540  -8.977  -6.295
  151    HG2  GLU  21           HG2      GLU  21  12.086  -9.942  -4.003
  152    HG3  GLU  21           HG1      GLU  21  11.069 -11.152  -4.787
  153    H    ARG  22           HN       ARG  22   8.721  -8.161  -7.384
  154    HA   ARG  22           HA       ARG  22  10.064  -6.503  -9.232
  155    HB2  ARG  22           HB2      ARG  22   7.112  -6.378  -8.551
  156    HB3  ARG  22           HB1      ARG  22   7.864  -5.882 -10.065
  157    HG2  ARG  22           HG2      ARG  22   8.419  -8.131 -10.647
  158    HG3  ARG  22           HG1      ARG  22   8.102  -8.712  -9.022
  159    HD2  ARG  22           HD2      ARG  22   5.909  -9.058  -9.498
  160    HD3  ARG  22           HD1      ARG  22   5.710  -7.417 -10.086
  161    HE   ARG  22           HE       ARG  22   5.817  -9.773 -11.687
  162   HH11  ARG  22          HH21      ARG  22   7.277  -6.647 -11.556
  163   HH12  ARG  22          HH22      ARG  22   7.675  -6.627 -13.240
  164   HH21  ARG  22          HH11      ARG  22   6.323  -9.752 -13.873
  165   HH22  ARG  22          HH12      ARG  22   7.135  -8.380 -14.550
  166    H    GLY  23           HN       GLY  23   8.610  -5.753  -6.144
  167    HA2  GLY  23           HA2      GLY  23   8.841  -3.784  -4.869
  168    HA3  GLY  23           HA1      GLY  23   9.833  -3.107  -6.165
  169    H    PHE  24           HN       PHE  24   7.668  -1.709  -4.795
  170    HA   PHE  24           HA       PHE  24   6.153  -0.915  -7.179
  171    HB2  PHE  24           HB2      PHE  24   3.966  -1.317  -6.225
  172    HB3  PHE  24           HB1      PHE  24   4.871  -2.828  -6.205
  173    HD1  PHE  24           HD1      PHE  24   5.717  -3.774  -4.120
  174    HD2  PHE  24           HD2      PHE  24   3.501  -0.091  -4.138
  175    HE1  PHE  24           HE1      PHE  24   5.412  -3.943  -1.667
  176    HE2  PHE  24           HE2      PHE  24   3.191  -0.275  -1.683
  177    HZ   PHE  24           HZ       PHE  24   4.145  -2.195  -0.453
  178    H    PHE  25           HN       PHE  25   4.594   0.885  -6.536
  179    HA   PHE  25           HA       PHE  25   5.871   2.628  -4.458
  180    HB2  PHE  25           HB2      PHE  25   4.998   4.523  -5.858
  181    HB3  PHE  25           HB1      PHE  25   6.197   3.537  -6.696
  182    HD1  PHE  25           HD1      PHE  25   2.565   4.259  -6.385
  183    HD2  PHE  25           HD2      PHE  25   5.611   2.191  -8.602
  184    HE1  PHE  25           HE1      PHE  25   0.917   3.761  -8.181
  185    HE2  PHE  25           HE2      PHE  25   3.971   1.698 -10.395
  186    HZ   PHE  25           HZ       PHE  25   1.628   2.482 -10.185
  187    H    TYR  26           HN       TYR  26   4.538   3.381  -2.857
  188    HA   TYR  26           HA       TYR  26   1.806   2.398  -2.752
  189    HB2  TYR  26           HB2      TYR  26   3.415   2.954  -0.749
  190    HB3  TYR  26           HB1      TYR  26   2.843   4.609  -0.967
  191    HD1  TYR  26           HD1      TYR  26   1.478   1.113  -0.799
  192    HD2  TYR  26           HD2      TYR  26   0.904   5.253   0.203
  193    HE1  TYR  26           HE1      TYR  26  -0.617   0.550   0.406
  194    HE2  TYR  26           HE2      TYR  26  -1.177   4.677   1.413
  195    HH   TYR  26           HH       TYR  26  -2.330   1.307   1.576
  196    H    THR  27           HN       THR  27  -0.001   4.164  -2.305
  197    HA   THR  27           HA       THR  27  -0.180   5.718  -4.691
  198    HB   THR  27           HB       THR  27  -2.174   4.982  -3.483
  199    HG1  THR  27           HG1      THR  27  -1.890   7.795  -3.517
  200   HG21  THR  27          HG21      THR  27  -1.310   6.974  -1.367
  201   HG22  THR  27          HG22      THR  27  -1.303   5.222  -1.194
  202   HG23  THR  27          HG23      THR  27  -2.828   6.077  -1.378
  203    H    ASP  28           HN       ASP  28  -0.688   8.204  -4.494
  204    HA   ASP  28           HA       ASP  28   1.631   9.576  -4.127
  205    HB2  ASP  28           HB2      ASP  28  -1.079  10.269  -4.572
  206    HB3  ASP  28           HB1      ASP  28  -0.531  11.330  -3.279
  207    HA   PRO  29           HA       PRO  29   2.298   9.746   0.309
  208    HB2  PRO  29           HB2      PRO  29   4.037  11.899   0.418
  209    HB3  PRO  29           HB1      PRO  29   4.519  10.278  -0.107
  210    HG2  PRO  29           HG2      PRO  29   4.024  12.718  -1.755
  211    HG3  PRO  29           HG1      PRO  29   5.099  11.351  -2.076
  212    HD2  PRO  29           HD2      PRO  29   2.573  11.747  -3.267
  213    HD3  PRO  29           HD1      PRO  29   3.487  10.222  -3.237
  214    H    THR  30           HN       THR  30   0.728  12.182  -1.463
  215    HA   THR  30           HA       THR  30   0.563  14.364   0.287
  216    HB   THR  30           HB       THR  30  -1.491  14.952  -0.855
  217    HG1  THR  30           HG1      THR  30  -1.646  12.579  -2.246
  218   HG21  THR  30          HG21      THR  30  -0.747  14.712  -3.183
  219   HG22  THR  30          HG22      THR  30   0.357  13.422  -2.710
  220   HG23  THR  30          HG23      THR  30   0.628  15.067  -2.138
  221    H    GLY  31           HN       GLY  31  -1.381  11.382   0.361
  222    HA2  GLY  31           HA2      GLY  31  -2.608  10.467   2.147
  223    HA3  GLY  31           HA1      GLY  31  -1.769  11.599   3.203
  224    H    GLY  32           HN       GLY  32  -2.893  13.774   1.217
  225    HA2  GLY  32           HA2      GLY  32  -5.427  14.137   2.738
  226    HA3  GLY  32           HA1      GLY  32  -4.592  15.390   1.816
  227    H    GLY  33           HN       GLY  33  -4.291  13.106  -0.278
  228    HA2  GLY  33           HA2      GLY  33  -6.875  12.462  -1.284
  229    HA3  GLY  33           HA1      GLY  33  -6.317  13.943  -2.071
  230    HA   PRO  34           HA       PRO  34  -2.857  10.842  -3.167
  231    HB2  PRO  34           HB2      PRO  34  -3.110   8.268  -2.127
  232    HB3  PRO  34           HB1      PRO  34  -2.142   9.547  -1.392
  233    HG2  PRO  34           HG2      PRO  34  -4.814   8.497  -0.594
  234    HG3  PRO  34           HG1      PRO  34  -3.550   9.224   0.416
  235    HD2  PRO  34           HD2      PRO  34  -5.877  10.546  -0.397
  236    HD3  PRO  34           HD1      PRO  34  -4.380  11.346   0.125
  237    H    ARG  35           HN       ARG  35  -2.836   8.520  -4.367
  238    HA   ARG  35           HA       ARG  35  -4.855   8.580  -6.376
  239    HB2  ARG  35           HB2      ARG  35  -2.489   7.447  -6.345
  240    HB3  ARG  35           HB1      ARG  35  -3.339   6.063  -5.665
  241    HG2  ARG  35           HG2      ARG  35  -4.853   6.019  -7.594
  242    HG3  ARG  35           HG1      ARG  35  -4.043   7.424  -8.284
  243    HD2  ARG  35           HD2      ARG  35  -1.879   5.882  -7.978
  244    HD3  ARG  35           HD1      ARG  35  -3.069   4.586  -8.071
  245    HE   ARG  35           HE       ARG  35  -2.040   6.031 -10.281
  246   HH11  ARG  35          HH21      ARG  35  -5.103   5.106  -8.977
  247   HH12  ARG  35          HH22      ARG  35  -5.952   5.373 -10.459
  248   HH21  ARG  35          HH11      ARG  35  -3.135   6.354 -12.213
  249   HH22  ARG  35          HH12      ARG  35  -4.842   6.067 -12.288
  250    H    ARG  36           HN       ARG  36  -6.879   8.609  -5.176
  251    HA   ARG  36           HA       ARG  36  -7.651   6.613  -3.297
  252    HB2  ARG  36           HB2      ARG  36 -10.034   7.237  -4.205
  253    HB3  ARG  36           HB1      ARG  36  -9.085   8.474  -3.379
  254    HG2  ARG  36           HG2      ARG  36  -8.482   9.543  -5.386
  255    HG3  ARG  36           HG1      ARG  36  -8.868   8.128  -6.364
  256    HD2  ARG  36           HD2      ARG  36 -11.251   8.437  -5.948
  257    HD3  ARG  36           HD1      ARG  36 -10.917   9.769  -4.844
  258    HE   ARG  36           HE       ARG  36  -9.726  10.553  -7.226
  259   HH11  ARG  36          HH21      ARG  36 -12.838   9.480  -6.202
  260   HH12  ARG  36          HH22      ARG  36 -13.694  10.391  -7.400
  261   HH21  ARG  36          HH11      ARG  36 -10.826  11.750  -8.797
  262   HH22  ARG  36          HH12      ARG  36 -12.555  11.676  -8.870
  263    H    GLY  37           HN       GLY  37  -6.743   6.191  -6.437
  264    HA2  GLY  37           HA2      GLY  37  -8.732   4.272  -7.307
  265    HA3  GLY  37           HA1      GLY  37  -7.168   4.556  -8.068
  266    H    ILE  38           HN       ILE  38  -5.856   4.087  -5.312
  267    HA   ILE  38           HA       ILE  38  -5.886   1.115  -5.544
  268    HB   ILE  38           HB       ILE  38  -3.754   2.816  -5.597
  269   HG12  ILE  38          HG12      ILE  38  -3.378   0.617  -6.288
  270   HG13  ILE  38          HG11      ILE  38  -2.358   0.744  -4.874
  271   HG21  ILE  38          HG21      ILE  38  -3.963   3.511  -3.265
  272   HG22  ILE  38          HG22      ILE  38  -2.480   2.603  -3.508
  273   HG23  ILE  38          HG23      ILE  38  -3.855   1.838  -2.728
  274   HD11  ILE  38          HD11      ILE  38  -4.821  -0.879  -5.302
  275   HD12  ILE  38          HD12      ILE  38  -4.620  -0.174  -3.700
  276   HD13  ILE  38          HD13      ILE  38  -3.386  -1.234  -4.352
  277    H    VAL  39           HN       VAL  39  -5.686   3.569  -2.930
  278    HA   VAL  39           HA       VAL  39  -6.178   1.711  -0.844
  279    HB   VAL  39           HB       VAL  39  -7.021   4.608  -0.726
  280   HG11  VAL  39          HG11      VAL  39  -5.777   2.735   1.310
  281   HG12  VAL  39          HG12      VAL  39  -7.500   3.094   1.197
  282   HG13  VAL  39          HG13      VAL  39  -6.358   4.372   1.614
  283   HG21  VAL  39          HG21      VAL  39  -4.530   4.853   0.104
  284   HG22  VAL  39          HG22      VAL  39  -4.867   4.871  -1.623
  285   HG23  VAL  39          HG23      VAL  39  -4.255   3.402  -0.863
  286    H    GLU  40           HN       GLU  40  -8.548   4.136  -2.040
  287    HA   GLU  40           HA       GLU  40 -10.764   3.027  -0.703
  288    HB2  GLU  40           HB2      GLU  40 -10.826   4.355  -3.424
  289    HB3  GLU  40           HB1      GLU  40 -12.156   4.244  -2.271
  290    HG2  GLU  40           HG2      GLU  40 -10.638   5.470  -0.616
  291    HG3  GLU  40           HG1      GLU  40  -9.583   5.809  -1.988
  292    H    GLN  41           HN       GLN  41  -9.670   2.333  -4.041
  293    HA   GLN  41           HA       GLN  41 -11.646   0.567  -4.852
  294    HB2  GLN  41           HB2      GLN  41  -9.563   1.264  -6.131
  295    HB3  GLN  41           HB1      GLN  41  -8.704  -0.025  -5.286
  296    HG2  GLN  41           HG2      GLN  41  -9.448  -1.005  -7.327
  297    HG3  GLN  41           HG1      GLN  41 -10.583  -1.577  -6.108
  298   HE21  GLN  41          HE21      GLN  41 -12.457  -1.758  -7.368
  299   HE22  GLN  41          HE22      GLN  41 -13.172  -0.450  -8.166
  300    H    CYS  42           HN       CYS  42  -8.674  -0.458  -3.127
  301    HA   CYS  42           HA       CYS  42  -9.880  -3.081  -2.609
  302    HB2  CYS  42           HB2      CYS  42  -7.249  -1.938  -1.648
  303    HB3  CYS  42           HB1      CYS  42  -7.742  -3.630  -1.610
  304    H    CYS  43           HN       CYS  43  -9.442  -0.086  -0.808
  305    HA   CYS  43           HA       CYS  43 -10.003  -1.398   1.767
  306    HB2  CYS  43           HB2      CYS  43  -8.557   0.605   1.750
  307    HB3  CYS  43           HB1      CYS  43  -9.878   1.555   1.063
  308    H    HIS  44           HN       HIS  44 -11.692   0.940  -0.342
  309    HA   HIS  44           HA       HIS  44 -14.153   0.775   1.175
  310    HB2  HIS  44           HB2      HIS  44 -13.464   2.706  -0.306
  311    HB3  HIS  44           HB1      HIS  44 -13.823   1.683  -1.694
  312    HD2  HIS  44           HD2      HIS  44 -15.654   4.338  -0.063
  313    HE1  HIS  44           HE1      HIS  44 -18.663   1.431  -0.635
  314    HE2  HIS  44           HE2      HIS  44 -18.214   3.876  -0.097
  315    H    SER  45           HN       SER  45 -12.754  -1.036  -1.475
  316    HA   SER  45           HA       SER  45 -15.157  -2.826  -1.445
  317    HB2  SER  45           HB2      SER  45 -13.724  -2.169  -4.017
  318    HB3  SER  45           HB1      SER  45 -15.311  -2.898  -3.796
  319    HG   SER  45           HG       SER  45 -15.638  -0.713  -2.617
  320    H    ILE  46           HN       ILE  46 -14.663  -5.015  -2.197
  321    HA   ILE  46           HA       ILE  46 -11.999  -5.873  -1.340
  322    HB   ILE  46           HB       ILE  46 -14.092  -7.639  -2.621
  323   HG12  ILE  46          HG12      ILE  46 -15.292  -6.267  -0.970
  324   HG13  ILE  46          HG11      ILE  46 -15.121  -7.920  -0.389
  325   HG21  ILE  46          HG21      ILE  46 -11.923  -8.641  -2.061
  326   HG22  ILE  46          HG22      ILE  46 -13.197  -9.274  -1.020
  327   HG23  ILE  46          HG23      ILE  46 -12.073  -8.065  -0.399
  328   HD11  ILE  46          HD11      ILE  46 -13.447  -5.533   0.432
  329   HD12  ILE  46          HD12      ILE  46 -13.102  -7.190   0.924
  330   HD13  ILE  46          HD13      ILE  46 -14.596  -6.411   1.434
  331    H    CYS  47           HN       CYS  47 -10.465  -5.267  -2.896
  332    HA   CYS  47           HA       CYS  47 -11.020  -5.848  -5.753
  333    HB2  CYS  47           HB2      CYS  47  -9.144  -4.511  -6.261
  334    HB3  CYS  47           HB1      CYS  47  -9.859  -3.708  -4.866
  335    H    SER  48           HN       SER  48  -9.710  -7.291  -6.980
  336    HA   SER  48           HA       SER  48  -8.649  -9.543  -5.416
  337    HB2  SER  48           HB2      SER  48  -8.166 -10.385  -7.857
  338    HB3  SER  48           HB1      SER  48  -9.830 -10.293  -7.294
  339    HG   SER  48           HG       SER  48  -9.895  -9.208  -9.160
  340    H    LEU  49           HN       LEU  49  -6.473 -10.451  -6.073
  341    HA   LEU  49           HA       LEU  49  -4.392  -8.574  -5.632
  342    HB2  LEU  49           HB2      LEU  49  -4.118 -11.219  -7.087
  343    HB3  LEU  49           HB1      LEU  49  -2.864 -10.372  -6.189
  344    HG   LEU  49           HG       LEU  49  -5.314 -11.770  -5.095
  345   HD11  LEU  49          HD11      LEU  49  -3.675 -13.001  -3.782
  346   HD12  LEU  49          HD12      LEU  49  -2.375 -11.963  -4.368
  347   HD13  LEU  49          HD13      LEU  49  -3.193 -13.064  -5.478
  348   HD21  LEU  49          HD21      LEU  49  -5.283  -9.755  -3.819
  349   HD22  LEU  49          HD22      LEU  49  -3.522  -9.723  -3.796
  350   HD23  LEU  49          HD23      LEU  49  -4.393 -10.926  -2.847
  351    H    TYR  50           HN       TYR  50  -5.887  -9.804  -8.526
  352    HA   TYR  50           HA       TYR  50  -4.221  -9.118 -10.583
  353    HB2  TYR  50           HB2      TYR  50  -6.701  -9.986 -10.475
  354    HB3  TYR  50           HB1      TYR  50  -7.119  -8.283 -10.665
  355    HD1  TYR  50           HD2      TYR  50  -5.323 -11.117 -12.113
  356    HD2  TYR  50           HD1      TYR  50  -6.801  -7.160 -12.734
  357    HE1  TYR  50           HE2      TYR  50  -4.868 -11.348 -14.553
  358    HE2  TYR  50           HE1      TYR  50  -6.356  -7.359 -15.176
  359    HH   TYR  50           HH       TYR  50  -5.647  -8.688 -16.812
  360    H    GLN  51           HN       GLN  51  -6.619  -6.933  -9.159
  361    HA   GLN  51           HA       GLN  51  -5.739  -4.592 -10.530
  362    HB2  GLN  51           HB2      GLN  51  -6.911  -4.534  -7.743
  363    HB3  GLN  51           HB1      GLN  51  -7.125  -3.381  -9.058
  364    HG2  GLN  51           HG2      GLN  51  -8.236  -5.252 -10.377
  365    HG3  GLN  51           HG1      GLN  51  -8.252  -6.176  -8.878
  366   HE21  GLN  51          HE21      GLN  51  -8.976  -2.754  -9.723
  367   HE22  GLN  51          HE22      GLN  51 -10.472  -2.717  -8.926
  368    H    LEU  52           HN       LEU  52  -4.827  -5.939  -7.372
  369    HA   LEU  52           HA       LEU  52  -3.064  -3.823  -6.646
  370    HB2  LEU  52           HB2      LEU  52  -2.969  -6.758  -5.950
  371    HB3  LEU  52           HB1      LEU  52  -2.005  -5.516  -5.159
  372    HG   LEU  52           HG       LEU  52  -5.037  -5.646  -5.218
  373   HD11  LEU  52          HD11      LEU  52  -4.839  -6.134  -2.866
  374   HD12  LEU  52          HD12      LEU  52  -3.090  -5.917  -2.918
  375   HD13  LEU  52          HD13      LEU  52  -3.840  -7.277  -3.760
  376   HD21  LEU  52          HD21      LEU  52  -4.517  -3.790  -3.337
  377   HD22  LEU  52          HD22      LEU  52  -4.698  -3.356  -5.034
  378   HD23  LEU  52          HD23      LEU  52  -3.092  -3.544  -4.347
  379    H    GLU  53           HN       GLU  53  -2.817  -6.487  -8.811
  380    HA   GLU  53           HA       GLU  53   0.063  -6.357  -9.130
  381    HB2  GLU  53           HB2      GLU  53  -1.952  -8.170  -9.803
  382    HB3  GLU  53           HB1      GLU  53  -1.494  -7.515 -11.372
  383    HG2  GLU  53           HG2      GLU  53   0.497  -8.625  -9.371
  384    HG3  GLU  53           HG1      GLU  53  -0.209  -9.572 -10.667
  385    H    ASN  54           HN       ASN  54  -2.471  -4.407 -10.016
  386    HA   ASN  54           HA       ASN  54  -1.484  -3.521 -12.608
  387    HB2  ASN  54           HB2      ASN  54  -3.918  -3.459 -11.587
  388    HB3  ASN  54           HB1      ASN  54  -3.391  -1.927 -10.891
  389   HD21  ASN  54          HD21      ASN  54  -5.452  -2.111 -12.895
  390   HD22  ASN  54          HD22      ASN  54  -4.888  -1.347 -14.299
  391    H    TYR  55           HN       TYR  55  -0.995  -2.616  -9.262
  392    HA   TYR  55           HA       TYR  55   0.410  -0.112 -10.082
  393    HB2  TYR  55           HB2      TYR  55  -0.120  -1.070  -7.267
  394    HB3  TYR  55           HB1      TYR  55   0.221   0.568  -7.812
  395    HD1  TYR  55           HD2      TYR  55  -2.270  -2.111  -7.734
  396    HD2  TYR  55           HD1      TYR  55  -1.480   1.937  -8.833
  397    HE1  TYR  55           HE2      TYR  55  -4.717  -1.741  -8.058
  398    HE2  TYR  55           HE1      TYR  55  -3.910   2.327  -9.171
  399    HH   TYR  55           HH       TYR  55  -6.241   0.549  -7.962
  400    H    CYS  56           HN       CYS  56   1.260  -3.265  -9.852
  401    HA   CYS  56           HA       CYS  56   3.662  -2.977  -8.201
  402    HB2  CYS  56           HB2      CYS  56   2.796  -5.154 -10.121
  403    HB3  CYS  56           HB1      CYS  56   4.215  -5.239  -9.084
  404    H    ASN  57           HN       ASN  57   5.300  -1.726  -8.950
  405    HA   ASN  57           HA       ASN  57   6.787  -0.703 -10.459
  406    HB2  ASN  57           HB2      ASN  57   7.679  -3.011 -10.386
  407    HB3  ASN  57           HB1      ASN  57   6.608  -3.458 -11.714
  408   HD21  ASN  57          HD21      ASN  57   9.761  -2.764 -11.218
  409   HD22  ASN  57          HD22      ASN  57  10.141  -1.982 -12.676
  Start of MODEL    6
    1    H1   PHE   1           HT1      PHE   1  -4.948 -13.263   2.752
    2    H2   PHE   1           HT2      PHE   1  -6.574 -12.776   2.834
    3    H3   PHE   1           HT3      PHE   1  -5.371 -11.872   3.625
    4    HA   PHE   1           HA       PHE   1  -5.623 -10.591   1.793
    5    HB2  PHE   1           HB2      PHE   1  -3.311 -11.711   1.945
    6    HB3  PHE   1           HB1      PHE   1  -3.817 -12.713   0.596
    7    HD1  PHE   1           HD2      PHE   1  -5.472  -9.830  -0.251
    8    HD2  PHE   1           HD1      PHE   1  -1.463 -11.242   0.284
    9    HE1  PHE   1           HE2      PHE   1  -4.657  -8.107  -1.766
   10    HE2  PHE   1           HE1      PHE   1  -0.647  -9.500  -1.241
   11    HZ   PHE   1           HZ       PHE   1  -2.233  -7.923  -2.271
   12    H    VAL   2           HN       VAL   2  -7.681 -12.720   1.817
   13    HA   VAL   2           HA       VAL   2  -7.947 -13.407  -1.073
   14    HB   VAL   2           HB       VAL   2  -9.943 -14.769  -0.008
   15   HG11  VAL   2          HG11      VAL   2  -7.987 -15.833  -0.985
   16   HG12  VAL   2          HG12      VAL   2  -8.343 -16.601   0.562
   17   HG13  VAL   2          HG13      VAL   2  -7.022 -15.438   0.439
   18   HG21  VAL   2          HG21      VAL   2  -9.471 -13.467   2.228
   19   HG22  VAL   2          HG22      VAL   2  -8.159 -14.624   2.423
   20   HG23  VAL   2          HG23      VAL   2  -9.824 -15.192   2.303
   21    H    ASN   3           HN       ASN   3 -10.692 -13.108   1.055
   22    HA   ASN   3           HA       ASN   3 -11.816 -11.009  -0.734
   23    HB2  ASN   3           HB2      ASN   3 -13.291 -12.649   1.338
   24    HB3  ASN   3           HB1      ASN   3 -13.981 -11.725   0.006
   25   HD21  ASN   3          HD21      ASN   3 -14.481 -12.953  -1.798
   26   HD22  ASN   3          HD22      ASN   3 -13.755 -14.431  -2.210
   27    H    GLN   4           HN       GLN   4  -9.898 -10.547   1.529
   28    HA   GLN   4           HA       GLN   4 -11.593  -9.026   3.439
   29    HB2  GLN   4           HB2      GLN   4  -9.115  -8.616   4.389
   30    HB3  GLN   4           HB1      GLN   4  -9.999 -10.103   4.713
   31    HG2  GLN   4           HG2      GLN   4  -8.880 -11.224   2.848
   32    HG3  GLN   4           HG1      GLN   4  -8.039  -9.730   2.430
   33   HE21  GLN   4          HE21      GLN   4  -7.766 -12.599   4.211
   34   HE22  GLN   4          HE22      GLN   4  -6.480 -12.146   5.219
   35    H    HIS   5           HN       HIS   5 -11.009  -6.795   3.927
   36    HA   HIS   5           HA       HIS   5 -10.405  -5.287   1.460
   37    HB2  HIS   5           HB2      HIS   5 -11.261  -3.370   2.710
   38    HB3  HIS   5           HB1      HIS   5 -12.388  -4.716   2.842
   39    HD2  HIS   5           HD2      HIS   5 -12.312  -6.060   5.425
   40    HE1  HIS   5           HE1      HIS   5 -10.233  -2.928   7.352
   41    HE2  HIS   5           HE2      HIS   5 -11.544  -5.077   7.706
   42    H    LEU   6           HN       LEU   6  -8.596  -4.051   1.186
   43    HA   LEU   6           HA       LEU   6  -6.500  -4.147   3.311
   44    HB2  LEU   6           HB2      LEU   6  -6.501  -3.866   0.325
   45    HB3  LEU   6           HB1      LEU   6  -5.201  -3.106   1.208
   46    HG   LEU   6           HG       LEU   6  -4.294  -5.126   1.929
   47   HD11  LEU   6          HD11      LEU   6  -5.928  -6.310   3.059
   48   HD12  LEU   6          HD12      LEU   6  -5.725  -7.319   1.635
   49   HD13  LEU   6          HD13      LEU   6  -7.078  -6.198   1.731
   50   HD21  LEU   6          HD21      LEU   6  -4.399  -6.689  -0.008
   51   HD22  LEU   6          HD22      LEU   6  -4.060  -5.038  -0.482
   52   HD23  LEU   6          HD23      LEU   6  -5.673  -5.720  -0.703
   53    H    CYS   7           HN       CYS   7  -5.980  -2.295   4.387
   54    HA   CYS   7           HA       CYS   7  -6.552   0.327   3.145
   55    HB2  CYS   7           HB2      CYS   7  -8.485  -0.717   4.736
   56    HB3  CYS   7           HB1      CYS   7  -7.505   0.075   5.965
   57    H    GLY   8           HN       GLY   8  -4.819   1.592   3.501
   58    HA2  GLY   8           HA2      GLY   8  -2.956   2.541   4.592
   59    HA3  GLY   8           HA1      GLY   8  -3.487   1.744   6.072
   60    H    SER   9           HN       SER   9  -1.405   0.988   6.629
   61    HA   SER   9           HA       SER   9   0.537  -0.218   5.054
   62    HB2  SER   9           HB2      SER   9  -0.331  -1.131   7.812
   63    HB3  SER   9           HB1      SER   9   1.223  -1.474   7.057
   64    HG   SER   9           HG       SER   9   1.834   0.392   7.779
   65    H    ASP  10           HN       ASP  10  -2.521  -1.652   6.121
   66    HA   ASP  10           HA       ASP  10  -2.062  -4.367   5.635
   67    HB2  ASP  10           HB2      ASP  10  -4.447  -2.579   5.244
   68    HB3  ASP  10           HB1      ASP  10  -4.544  -4.245   4.690
   69    H    LEU  11           HN       LEU  11  -3.006  -1.890   3.248
   70    HA   LEU  11           HA       LEU  11  -2.956  -3.552   0.970
   71    HB2  LEU  11           HB2      LEU  11  -3.848  -1.289   0.821
   72    HB3  LEU  11           HB1      LEU  11  -2.288  -0.607   1.264
   73    HG   LEU  11           HG       LEU  11  -1.297  -1.340  -0.811
   74   HD11  LEU  11          HD11      LEU  11  -3.899  -2.810  -1.188
   75   HD12  LEU  11          HD12      LEU  11  -2.266  -3.480  -1.170
   76   HD13  LEU  11          HD13      LEU  11  -2.789  -2.474  -2.507
   77   HD21  LEU  11          HD21      LEU  11  -2.573   0.739  -0.978
   78   HD22  LEU  11          HD22      LEU  11  -4.051  -0.173  -1.289
   79   HD23  LEU  11          HD23      LEU  11  -2.743  -0.185  -2.470
   80    H    VAL  12           HN       VAL  12  -0.336  -1.452   2.215
   81    HA   VAL  12           HA       VAL  12   1.685  -2.081   0.415
   82    HB   VAL  12           HB       VAL  12   2.120  -1.921   3.411
   83   HG11  VAL  12          HG11      VAL  12   4.314  -1.205   2.870
   84   HG12  VAL  12          HG12      VAL  12   3.892  -0.899   1.187
   85   HG13  VAL  12          HG13      VAL  12   4.023  -2.554   1.776
   86   HG21  VAL  12          HG21      VAL  12   2.231   0.492   3.148
   87   HG22  VAL  12          HG22      VAL  12   0.675  -0.056   2.531
   88   HG23  VAL  12          HG23      VAL  12   1.972   0.353   1.412
   89    H    GLU  13           HN       GLU  13   1.405  -3.779   3.563
   90    HA   GLU  13           HA       GLU  13   3.154  -5.881   3.018
   91    HB2  GLU  13           HB2      GLU  13   0.525  -6.071   4.520
   92    HB3  GLU  13           HB1      GLU  13   1.865  -7.211   4.645
   93    HG2  GLU  13           HG2      GLU  13   3.333  -5.353   5.421
   94    HG3  GLU  13           HG1      GLU  13   1.941  -4.271   5.384
   95    H    ALA  14           HN       ALA  14  -0.011  -5.316   1.695
   96    HA   ALA  14           HA       ALA  14  -0.266  -8.058   0.666
   97    HB1  ALA  14           HB1      ALA  14  -2.010  -5.786   1.024
   98    HB2  ALA  14           HB2      ALA  14  -2.438  -7.453   0.665
   99    HB3  ALA  14           HB3      ALA  14  -2.114  -6.321  -0.651
  100    H    LEU  15           HN       LEU  15   0.156  -4.802  -0.862
  101    HA   LEU  15           HA       LEU  15   0.562  -5.757  -3.472
  102    HB2  LEU  15           HB2      LEU  15   1.799  -3.410  -2.035
  103    HB3  LEU  15           HB1      LEU  15   2.168  -3.758  -3.720
  104    HG   LEU  15           HG       LEU  15  -0.719  -3.571  -2.863
  105   HD11  LEU  15          HD11      LEU  15   0.880  -1.171  -3.793
  106   HD12  LEU  15          HD12      LEU  15   0.601  -1.491  -2.085
  107   HD13  LEU  15          HD13      LEU  15  -0.763  -1.202  -3.160
  108   HD21  LEU  15          HD21      LEU  15   0.694  -2.773  -5.423
  109   HD22  LEU  15          HD22      LEU  15  -1.043  -2.915  -5.173
  110   HD23  LEU  15          HD23      LEU  15  -0.032  -4.355  -5.163
  111    H    TYR  16           HN       TYR  16   2.742  -5.728  -0.707
  112    HA   TYR  16           HA       TYR  16   5.191  -6.254  -1.951
  113    HB2  TYR  16           HB2      TYR  16   5.024  -5.911   0.445
  114    HB3  TYR  16           HB1      TYR  16   4.116  -7.408   0.628
  115    HD1  TYR  16           HD2      TYR  16   7.313  -6.239  -0.976
  116    HD2  TYR  16           HD1      TYR  16   5.333  -9.270   1.324
  117    HE1  TYR  16           HE2      TYR  16   9.442  -7.496  -0.802
  118    HE2  TYR  16           HE1      TYR  16   7.461 -10.532   1.501
  119    HH   TYR  16           HH       TYR  16  10.247  -9.477   1.230
  120    H    LEU  17           HN       LEU  17   2.735  -8.727  -1.010
  121    HA   LEU  17           HA       LEU  17   4.255 -10.895  -2.176
  122    HB2  LEU  17           HB2      LEU  17   1.255 -10.721  -1.757
  123    HB3  LEU  17           HB1      LEU  17   2.168 -12.178  -2.079
  124    HG   LEU  17           HG       LEU  17   3.492 -11.696   0.039
  125   HD11  LEU  17          HD11      LEU  17   1.428  -9.518   0.163
  126   HD12  LEU  17          HD12      LEU  17   3.114  -9.492   0.651
  127   HD13  LEU  17          HD13      LEU  17   1.924 -10.288   1.666
  128   HD21  LEU  17          HD21      LEU  17   1.470 -12.420   1.505
  129   HD22  LEU  17          HD22      LEU  17   1.916 -13.460   0.154
  130   HD23  LEU  17          HD23      LEU  17   0.544 -12.366   0.006
  131    H    VAL  18           HN       VAL  18   1.438  -9.035  -3.291
  132    HA   VAL  18           HA       VAL  18   1.056 -10.187  -5.807
  133    HB   VAL  18           HB       VAL  18   0.908  -7.230  -5.172
  134   HG11  VAL  18          HG11      VAL  18  -0.700  -7.106  -6.925
  135   HG12  VAL  18          HG12      VAL  18  -0.723  -8.854  -7.114
  136   HG13  VAL  18          HG13      VAL  18   0.705  -7.933  -7.579
  137   HG21  VAL  18          HG21      VAL  18  -1.418  -7.663  -4.539
  138   HG22  VAL  18          HG22      VAL  18  -0.332  -8.611  -3.526
  139   HG23  VAL  18          HG23      VAL  18  -1.197  -9.382  -4.854
  140    H    CYS  19           HN       CYS  19   3.027  -7.287  -5.168
  141    HA   CYS  19           HA       CYS  19   4.250  -7.404  -7.800
  142    HB2  CYS  19           HB2      CYS  19   5.299  -5.818  -5.464
  143    HB3  CYS  19           HB1      CYS  19   5.342  -5.417  -7.175
  144    H    GLY  20           HN       GLY  20   4.980  -8.685  -4.670
  145    HA2  GLY  20           HA2      GLY  20   6.835  -9.897  -3.875
  146    HA3  GLY  20           HA1      GLY  20   6.901 -10.521  -5.520
  147    H    GLU  21           HN       GLU  21   8.937 -10.319  -6.283
  148    HA   GLU  21           HA       GLU  21  10.778  -8.310  -5.255
  149    HB2  GLU  21           HB2      GLU  21  10.985 -10.324  -7.507
  150    HB3  GLU  21           HB1      GLU  21  12.309  -9.265  -7.017
  151    HG2  GLU  21           HG2      GLU  21  12.087 -10.181  -4.687
  152    HG3  GLU  21           HG1      GLU  21  10.912 -11.340  -5.309
  153    H    ARG  22           HN       ARG  22   8.457  -8.360  -7.775
  154    HA   ARG  22           HA       ARG  22   9.667  -6.743  -9.745
  155    HB2  ARG  22           HB2      ARG  22   6.783  -6.563  -8.822
  156    HB3  ARG  22           HB1      ARG  22   7.415  -6.065 -10.390
  157    HG2  ARG  22           HG2      ARG  22   8.047  -8.382 -10.898
  158    HG3  ARG  22           HG1      ARG  22   7.470  -8.901  -9.315
  159    HD2  ARG  22           HD2      ARG  22   5.621  -9.381 -10.669
  160    HD3  ARG  22           HD1      ARG  22   5.211  -7.773 -10.077
  161    HE   ARG  22           HE       ARG  22   6.600  -7.265 -12.414
  162   HH11  ARG  22          HH21      ARG  22   3.932  -9.238 -11.478
  163   HH12  ARG  22          HH22      ARG  22   3.141  -9.130 -13.015
  164   HH21  ARG  22          HH11      ARG  22   5.581  -7.113 -14.428
  165   HH22  ARG  22          HH12      ARG  22   4.074  -7.928 -14.685
  166    H    GLY  23           HN       GLY  23   8.461  -5.910  -6.562
  167    HA2  GLY  23           HA2      GLY  23   8.839  -3.930  -5.339
  168    HA3  GLY  23           HA1      GLY  23   9.761  -3.302  -6.709
  169    H    PHE  24           HN       PHE  24   7.707  -1.840  -5.202
  170    HA   PHE  24           HA       PHE  24   6.080  -1.015  -7.499
  171    HB2  PHE  24           HB2      PHE  24   3.943  -1.394  -6.442
  172    HB3  PHE  24           HB1      PHE  24   4.833  -2.914  -6.447
  173    HD1  PHE  24           HD1      PHE  24   5.800  -3.826  -4.382
  174    HD2  PHE  24           HD2      PHE  24   3.556  -0.162  -4.361
  175    HE1  PHE  24           HE1      PHE  24   5.605  -3.958  -1.916
  176    HE2  PHE  24           HE2      PHE  24   3.355  -0.307  -1.892
  177    HZ   PHE  24           HZ       PHE  24   4.380  -2.199  -0.675
  178    H    PHE  25           HN       PHE  25   4.574   0.795  -6.769
  179    HA   PHE  25           HA       PHE  25   5.954   2.523  -4.744
  180    HB2  PHE  25           HB2      PHE  25   5.109   4.435  -6.125
  181    HB3  PHE  25           HB1      PHE  25   6.235   3.405  -7.011
  182    HD1  PHE  25           HD1      PHE  25   2.641   4.230  -6.531
  183    HD2  PHE  25           HD2      PHE  25   5.527   2.100  -8.897
  184    HE1  PHE  25           HE1      PHE  25   0.899   3.780  -8.248
  185    HE2  PHE  25           HE2      PHE  25   3.792   1.655 -10.612
  186    HZ   PHE  25           HZ       PHE  25   1.481   2.493 -10.287
  187    H    TYR  26           HN       TYR  26   4.648   3.391  -3.150
  188    HA   TYR  26           HA       TYR  26   1.899   2.413  -2.992
  189    HB2  TYR  26           HB2      TYR  26   3.569   2.886  -1.019
  190    HB3  TYR  26           HB1      TYR  26   3.022   4.555  -1.178
  191    HD1  TYR  26           HD1      TYR  26   1.645   1.067  -0.990
  192    HD2  TYR  26           HD2      TYR  26   1.080   5.213  -0.004
  193    HE1  TYR  26           HE1      TYR  26  -0.415   0.506   0.269
  194    HE2  TYR  26           HE2      TYR  26  -0.972   4.635   1.257
  195    HH   TYR  26           HH       TYR  26  -1.847   1.333   1.922
  196    H    THR  27           HN       THR  27   0.131   4.152  -2.492
  197    HA   THR  27           HA       THR  27  -0.061   5.833  -4.796
  198    HB   THR  27           HB       THR  27  -2.044   4.990  -3.633
  199    HG1  THR  27           HG1      THR  27  -3.145   6.980  -3.626
  200   HG21  THR  27          HG21      THR  27  -2.714   5.980  -1.473
  201   HG22  THR  27          HG22      THR  27  -1.202   6.879  -1.412
  202   HG23  THR  27          HG23      THR  27  -1.190   5.122  -1.337
  203    H    ASP  28           HN       ASP  28  -0.629   8.292  -4.437
  204    HA   ASP  28           HA       ASP  28   1.662   9.691  -3.971
  205    HB2  ASP  28           HB2      ASP  28  -1.030  10.357  -4.450
  206    HB3  ASP  28           HB1      ASP  28  -0.602  11.290  -3.020
  207    HA   PRO  29           HA       PRO  29   2.304   9.599   0.469
  208    HB2  PRO  29           HB2      PRO  29   3.922  11.831   0.741
  209    HB3  PRO  29           HB1      PRO  29   4.493  10.281   0.106
  210    HG2  PRO  29           HG2      PRO  29   3.866  12.803  -1.367
  211    HG3  PRO  29           HG1      PRO  29   5.017  11.524  -1.778
  212    HD2  PRO  29           HD2      PRO  29   2.478  11.862  -2.956
  213    HD3  PRO  29           HD1      PRO  29   3.473  10.389  -3.024
  214    H    THR  30           HN       THR  30   0.605  12.060  -1.127
  215    HA   THR  30           HA       THR  30   0.317  14.109   0.756
  216    HB   THR  30           HB       THR  30  -1.783  14.638  -0.349
  217    HG1  THR  30           HG1      THR  30  -1.559  12.050  -1.487
  218   HG21  THR  30          HG21      THR  30   0.244  13.410  -2.243
  219   HG22  THR  30          HG22      THR  30   0.283  15.054  -1.608
  220   HG23  THR  30          HG23      THR  30  -1.007  14.562  -2.706
  221    H    GLY  31           HN       GLY  31  -1.473  11.028   0.645
  222    HA2  GLY  31           HA2      GLY  31  -2.652   9.946   2.371
  223    HA3  GLY  31           HA1      GLY  31  -1.862  11.046   3.494
  224    H    GLY  32           HN       GLY  32  -3.098  13.293   1.666
  225    HA2  GLY  32           HA2      GLY  32  -5.654  13.418   3.196
  226    HA3  GLY  32           HA1      GLY  32  -4.865  14.782   2.400
  227    H    GLY  33           HN       GLY  33  -4.410  12.845   0.067
  228    HA2  GLY  33           HA2      GLY  33  -6.973  12.142  -1.010
  229    HA3  GLY  33           HA1      GLY  33  -6.456  13.702  -1.658
  230    HA   PRO  34           HA       PRO  34  -2.894  10.815  -2.992
  231    HB2  PRO  34           HB2      PRO  34  -3.022   8.179  -2.121
  232    HB3  PRO  34           HB1      PRO  34  -2.123   9.449  -1.293
  233    HG2  PRO  34           HG2      PRO  34  -4.745   8.212  -0.587
  234    HG3  PRO  34           HG1      PRO  34  -3.521   8.926   0.478
  235    HD2  PRO  34           HD2      PRO  34  -5.907  10.187  -0.267
  236    HD3  PRO  34           HD1      PRO  34  -4.457  11.016   0.338
  237    H    ARG  35           HN       ARG  35  -2.787   8.561  -4.344
  238    HA   ARG  35           HA       ARG  35  -4.792   8.665  -6.349
  239    HB2  ARG  35           HB2      ARG  35  -2.429   7.520  -6.346
  240    HB3  ARG  35           HB1      ARG  35  -3.285   6.119  -5.709
  241    HG2  ARG  35           HG2      ARG  35  -4.807   6.169  -7.650
  242    HG3  ARG  35           HG1      ARG  35  -3.926   7.548  -8.306
  243    HD2  ARG  35           HD2      ARG  35  -1.827   5.958  -8.012
  244    HD3  ARG  35           HD1      ARG  35  -3.038   4.679  -8.048
  245    HE   ARG  35           HE       ARG  35  -2.015   6.066 -10.312
  246   HH11  ARG  35          HH21      ARG  35  -5.048   5.126  -8.957
  247   HH12  ARG  35          HH22      ARG  35  -5.913   5.329 -10.439
  248   HH21  ARG  35          HH11      ARG  35  -3.126   6.306 -12.246
  249   HH22  ARG  35          HH12      ARG  35  -4.828   5.986 -12.300
  250    H    ARG  36           HN       ARG  36  -6.823   8.659  -5.154
  251    HA   ARG  36           HA       ARG  36  -7.581   6.610  -3.336
  252    HB2  ARG  36           HB2      ARG  36  -9.980   7.259  -4.256
  253    HB3  ARG  36           HB1      ARG  36  -9.051   8.424  -3.311
  254    HG2  ARG  36           HG2      ARG  36  -8.368   9.623  -5.232
  255    HG3  ARG  36           HG1      ARG  36  -8.815   8.305  -6.314
  256    HD2  ARG  36           HD2      ARG  36 -11.200   8.648  -5.734
  257    HD3  ARG  36           HD1      ARG  36 -10.742   9.984  -4.679
  258    HE   ARG  36           HE       ARG  36  -9.653  10.676  -7.132
  259   HH11  ARG  36          HH21      ARG  36 -12.743   9.717  -5.942
  260   HH12  ARG  36          HH22      ARG  36 -13.629  10.643  -7.108
  261   HH21  ARG  36          HH11      ARG  36 -10.791  11.893  -8.662
  262   HH22  ARG  36          HH12      ARG  36 -12.523  11.875  -8.649
  263    H    GLY  37           HN       GLY  37  -6.665   6.240  -6.465
  264    HA2  GLY  37           HA2      GLY  37  -8.662   4.349  -7.380
  265    HA3  GLY  37           HA1      GLY  37  -7.086   4.626  -8.119
  266    H    ILE  38           HN       ILE  38  -5.778   4.136  -5.388
  267    HA   ILE  38           HA       ILE  38  -5.856   1.165  -5.600
  268    HB   ILE  38           HB       ILE  38  -3.699   2.841  -5.677
  269   HG12  ILE  38          HG12      ILE  38  -3.329   0.651  -6.385
  270   HG13  ILE  38          HG11      ILE  38  -2.328   0.735  -4.956
  271   HG21  ILE  38          HG21      ILE  38  -2.401   2.579  -3.598
  272   HG22  ILE  38          HG22      ILE  38  -3.796   1.864  -2.807
  273   HG23  ILE  38          HG23      ILE  38  -3.851   3.538  -3.349
  274   HD11  ILE  38          HD11      ILE  38  -4.641  -0.161  -3.843
  275   HD12  ILE  38          HD12      ILE  38  -3.394  -1.224  -4.465
  276   HD13  ILE  38          HD13      ILE  38  -4.795  -0.851  -5.458
  277    H    VAL  39           HN       VAL  39  -5.572   3.621  -2.992
  278    HA   VAL  39           HA       VAL  39  -6.087   1.782  -0.894
  279    HB   VAL  39           HB       VAL  39  -6.879   4.692  -0.766
  280   HG11  VAL  39          HG11      VAL  39  -7.355   3.290   1.193
  281   HG12  VAL  39          HG12      VAL  39  -6.058   4.428   1.558
  282   HG13  VAL  39          HG13      VAL  39  -5.680   2.739   1.222
  283   HG21  VAL  39          HG21      VAL  39  -4.373   4.923  -0.008
  284   HG22  VAL  39          HG22      VAL  39  -4.750   4.911  -1.728
  285   HG23  VAL  39          HG23      VAL  39  -4.130   3.452  -0.954
  286    H    GLU  40           HN       GLU  40  -8.419   4.256  -2.065
  287    HA   GLU  40           HA       GLU  40 -10.638   3.190  -0.696
  288    HB2  GLU  40           HB2      GLU  40 -10.730   4.531  -3.408
  289    HB3  GLU  40           HB1      GLU  40 -12.027   4.459  -2.216
  290    HG2  GLU  40           HG2      GLU  40 -10.402   5.634  -0.610
  291    HG3  GLU  40           HG1      GLU  40  -9.414   5.964  -2.032
  292    H    GLN  41           HN       GLN  41  -9.528   2.435  -4.010
  293    HA   GLN  41           HA       GLN  41 -11.595   0.742  -4.812
  294    HB2  GLN  41           HB2      GLN  41  -9.556   1.380  -6.160
  295    HB3  GLN  41           HB1      GLN  41  -8.661   0.134  -5.289
  296    HG2  GLN  41           HG2      GLN  41 -10.195  -1.582  -6.095
  297    HG3  GLN  41           HG1      GLN  41 -11.202  -0.362  -6.871
  298   HE21  GLN  41          HE21      GLN  41 -10.890  -0.679  -9.060
  299   HE22  GLN  41          HE22      GLN  41  -9.377  -0.762  -9.809
  300    H    CYS  42           HN       CYS  42  -8.622  -0.328  -3.121
  301    HA   CYS  42           HA       CYS  42  -9.854  -2.935  -2.583
  302    HB2  CYS  42           HB2      CYS  42  -7.194  -1.805  -1.685
  303    HB3  CYS  42           HB1      CYS  42  -7.703  -3.489  -1.578
  304    H    CYS  43           HN       CYS  43  -9.367   0.059  -0.803
  305    HA   CYS  43           HA       CYS  43  -9.891  -1.234   1.788
  306    HB2  CYS  43           HB2      CYS  43  -8.427   0.754   1.722
  307    HB3  CYS  43           HB1      CYS  43  -9.756   1.713   1.064
  308    H    HIS  44           HN       HIS  44 -11.620   1.098  -0.305
  309    HA   HIS  44           HA       HIS  44 -14.044   0.942   1.272
  310    HB2  HIS  44           HB2      HIS  44 -13.377   2.849  -0.275
  311    HB3  HIS  44           HB1      HIS  44 -13.829   1.805  -1.620
  312    HD2  HIS  44           HD2      HIS  44 -15.533   4.520   0.040
  313    HE1  HIS  44           HE1      HIS  44 -18.599   1.632  -0.245
  314    HE2  HIS  44           HE2      HIS  44 -18.094   4.087   0.185
  315    H    SER  45           HN       SER  45 -12.683  -0.911  -1.357
  316    HA   SER  45           HA       SER  45 -15.080  -2.706  -1.265
  317    HB2  SER  45           HB2      SER  45 -13.675  -2.132  -3.872
  318    HB3  SER  45           HB1      SER  45 -15.270  -2.828  -3.606
  319    HG   SER  45           HG       SER  45 -15.250  -0.579  -4.262
  320    H    ILE  46           HN       ILE  46 -14.581  -4.911  -1.933
  321    HA   ILE  46           HA       ILE  46 -11.884  -5.714  -1.112
  322    HB   ILE  46           HB       ILE  46 -13.987  -7.565  -2.249
  323   HG12  ILE  46          HG12      ILE  46 -15.141  -6.078  -0.610
  324   HG13  ILE  46          HG11      ILE  46 -15.037  -7.743  -0.054
  325   HG21  ILE  46          HG21      ILE  46 -11.872  -7.825  -0.098
  326   HG22  ILE  46          HG22      ILE  46 -11.843  -8.554  -1.704
  327   HG23  ILE  46          HG23      ILE  46 -13.040  -9.074  -0.520
  328   HD11  ILE  46          HD11      ILE  46 -13.170  -5.504   0.783
  329   HD12  ILE  46          HD12      ILE  46 -13.092  -7.171   1.351
  330   HD13  ILE  46          HD13      ILE  46 -14.478  -6.166   1.757
  331    H    CYS  47           HN       CYS  47 -10.416  -5.158  -2.744
  332    HA   CYS  47           HA       CYS  47 -11.063  -5.851  -5.553
  333    HB2  CYS  47           HB2      CYS  47  -9.185  -4.551  -6.166
  334    HB3  CYS  47           HB1      CYS  47  -9.873  -3.685  -4.796
  335    H    SER  48           HN       SER  48  -9.780  -7.326  -6.777
  336    HA   SER  48           HA       SER  48  -8.672  -9.533  -5.178
  337    HB2  SER  48           HB2      SER  48  -8.257 -10.436  -7.615
  338    HB3  SER  48           HB1      SER  48  -9.900 -10.350  -6.993
  339    HG   SER  48           HG       SER  48  -9.438  -7.998  -7.982
  340    H    LEU  49           HN       LEU  49  -6.512 -10.456  -5.885
  341    HA   LEU  49           HA       LEU  49  -4.428  -8.568  -5.547
  342    HB2  LEU  49           HB2      LEU  49  -4.171 -11.230  -6.968
  343    HB3  LEU  49           HB1      LEU  49  -2.908 -10.364  -6.100
  344    HG   LEU  49           HG       LEU  49  -5.327 -11.772  -4.951
  345   HD11  LEU  49          HD11      LEU  49  -2.385 -11.911  -4.229
  346   HD12  LEU  49          HD12      LEU  49  -3.170 -13.024  -5.350
  347   HD13  LEU  49          HD13      LEU  49  -3.667 -12.977  -3.658
  348   HD21  LEU  49          HD21      LEU  49  -4.395 -10.879  -2.729
  349   HD22  LEU  49          HD22      LEU  49  -5.304  -9.732  -3.712
  350   HD23  LEU  49          HD23      LEU  49  -3.542  -9.687  -3.706
  351    H    TYR  50           HN       TYR  50  -5.998  -9.850  -8.377
  352    HA   TYR  50           HA       TYR  50  -4.377  -9.185 -10.481
  353    HB2  TYR  50           HB2      TYR  50  -6.844 -10.083 -10.309
  354    HB3  TYR  50           HB1      TYR  50  -7.287  -8.389 -10.524
  355    HD1  TYR  50           HD2      TYR  50  -5.497 -11.234 -11.951
  356    HD2  TYR  50           HD1      TYR  50  -7.003  -7.296 -12.619
  357    HE1  TYR  50           HE2      TYR  50  -5.078 -11.507 -14.392
  358    HE2  TYR  50           HE1      TYR  50  -6.594  -7.537 -15.063
  359    HH   TYR  50           HH       TYR  50  -4.821  -9.138 -16.476
  360    H    GLN  51           HN       GLN  51  -6.774  -7.000  -9.046
  361    HA   GLN  51           HA       GLN  51  -5.938  -4.676 -10.482
  362    HB2  GLN  51           HB2      GLN  51  -7.084  -4.617  -7.680
  363    HB3  GLN  51           HB1      GLN  51  -7.268  -3.427  -8.965
  364    HG2  GLN  51           HG2      GLN  51  -8.394  -5.298 -10.331
  365    HG3  GLN  51           HG1      GLN  51  -8.505  -6.174  -8.807
  366   HE21  GLN  51          HE21      GLN  51  -9.214  -2.878 -10.068
  367   HE22  GLN  51          HE22      GLN  51 -10.662  -2.695  -9.204
  368    H    LEU  52           HN       LEU  52  -4.943  -5.971  -7.328
  369    HA   LEU  52           HA       LEU  52  -3.193  -3.819  -6.680
  370    HB2  LEU  52           HB2      LEU  52  -3.036  -6.744  -5.941
  371    HB3  LEU  52           HB1      LEU  52  -2.071  -5.474  -5.197
  372    HG   LEU  52           HG       LEU  52  -5.101  -5.646  -5.170
  373   HD11  LEU  52          HD11      LEU  52  -4.828  -6.084  -2.813
  374   HD12  LEU  52          HD12      LEU  52  -3.083  -5.865  -2.926
  375   HD13  LEU  52          HD13      LEU  52  -3.857  -7.241  -3.717
  376   HD21  LEU  52          HD21      LEU  52  -4.550  -3.755  -3.333
  377   HD22  LEU  52          HD22      LEU  52  -4.785  -3.350  -5.031
  378   HD23  LEU  52          HD23      LEU  52  -3.157  -3.513  -4.388
  379    H    GLU  53           HN       GLU  53  -2.920  -6.622  -8.703
  380    HA   GLU  53           HA       GLU  53  -0.081  -6.431  -9.133
  381    HB2  GLU  53           HB2      GLU  53  -2.132  -8.240  -9.783
  382    HB3  GLU  53           HB1      GLU  53  -1.616  -7.628 -11.352
  383    HG2  GLU  53           HG2      GLU  53   0.817  -8.125 -10.365
  384    HG3  GLU  53           HG1      GLU  53  -0.076  -9.229  -9.321
  385    H    ASN  54           HN       ASN  54  -2.664  -4.522 -10.008
  386    HA   ASN  54           HA       ASN  54  -1.760  -3.654 -12.626
  387    HB2  ASN  54           HB2      ASN  54  -4.143  -3.509 -11.532
  388    HB3  ASN  54           HB1      ASN  54  -3.542  -2.015 -10.811
  389   HD21  ASN  54          HD21      ASN  54  -5.650  -2.311 -12.898
  390   HD22  ASN  54          HD22      ASN  54  -5.106  -1.426 -14.237
  391    H    TYR  55           HN       TYR  55  -1.141  -2.719  -9.312
  392    HA   TYR  55           HA       TYR  55   0.357  -0.299 -10.209
  393    HB2  TYR  55           HB2      TYR  55  -0.157  -1.182  -7.367
  394    HB3  TYR  55           HB1      TYR  55   0.242   0.430  -7.950
  395    HD1  TYR  55           HD2      TYR  55  -2.358  -2.152  -7.825
  396    HD2  TYR  55           HD1      TYR  55  -1.423   1.867  -8.916
  397    HE1  TYR  55           HE2      TYR  55  -4.791  -1.686  -8.123
  398    HE2  TYR  55           HE1      TYR  55  -3.839   2.352  -9.228
  399    HH   TYR  55           HH       TYR  55  -6.314  -0.062  -8.437
  400    H    CYS  56           HN       CYS  56   1.050  -3.492  -9.920
  401    HA   CYS  56           HA       CYS  56   3.522  -3.276  -8.357
  402    HB2  CYS  56           HB2      CYS  56   2.415  -5.474 -10.129
  403    HB3  CYS  56           HB1      CYS  56   3.931  -5.597  -9.249
  404    H    ASN  57           HN       ASN  57   5.151  -2.086  -9.246
  405    HA   ASN  57           HA       ASN  57   6.641  -1.239 -10.853
  406    HB2  ASN  57           HB2      ASN  57   7.437  -3.555 -10.807
  407    HB3  ASN  57           HB1      ASN  57   6.196  -4.025 -11.966
  408   HD21  ASN  57          HD21      ASN  57   8.896  -1.665 -11.664
  409   HD22  ASN  57          HD22      ASN  57   9.349  -1.746 -13.298
  Start of MODEL    7
    1    H1   PHE   1           HT1      PHE   1  -6.285 -11.664   3.127
    2    H2   PHE   1           HT2      PHE   1  -5.944 -13.134   2.346
    3    H3   PHE   1           HT3      PHE   1  -7.532 -12.532   2.372
    4    HA   PHE   1           HA       PHE   1  -6.448 -10.489   1.210
    5    HB2  PHE   1           HB2      PHE   1  -4.208 -11.802   1.525
    6    HB3  PHE   1           HB1      PHE   1  -4.707 -12.714   0.113
    7    HD1  PHE   1           HD2      PHE   1  -6.133  -9.819  -0.838
    8    HD2  PHE   1           HD1      PHE   1  -2.239 -11.293   0.144
    9    HE1  PHE   1           HE2      PHE   1  -5.119  -8.075  -2.223
   10    HE2  PHE   1           HE1      PHE   1  -1.221  -9.545  -1.243
   11    HZ   PHE   1           HZ       PHE   1  -2.647  -7.929  -2.429
   12    H    VAL   2           HN       VAL   2  -8.502 -12.734   1.323
   13    HA   VAL   2           HA       VAL   2  -8.726 -13.524  -1.525
   14    HB   VAL   2           HB       VAL   2 -10.839 -14.714  -0.457
   15   HG11  VAL   2          HG11      VAL   2  -9.334 -16.571   0.315
   16   HG12  VAL   2          HG12      VAL   2  -7.963 -15.481   0.107
   17   HG13  VAL   2          HG13      VAL   2  -8.933 -15.955  -1.288
   18   HG21  VAL   2          HG21      VAL   2 -10.392 -13.300   1.705
   19   HG22  VAL   2          HG22      VAL   2  -9.122 -14.480   2.017
   20   HG23  VAL   2          HG23      VAL   2 -10.800 -15.006   1.881
   21    H    ASN   3           HN       ASN   3 -11.545 -12.937   0.450
   22    HA   ASN   3           HA       ASN   3 -12.463 -10.899  -1.531
   23    HB2  ASN   3           HB2      ASN   3 -14.160 -12.426   0.453
   24    HB3  ASN   3           HB1      ASN   3 -14.706 -11.516  -0.952
   25   HD21  ASN   3          HD21      ASN   3 -15.004 -12.711  -2.822
   26   HD22  ASN   3          HD22      ASN   3 -14.347 -14.249  -3.115
   27    H    GLN   4           HN       GLN   4 -10.736 -10.423   0.888
   28    HA   GLN   4           HA       GLN   4 -12.545  -8.785   2.585
   29    HB2  GLN   4           HB2      GLN   4 -10.170  -8.431   3.769
   30    HB3  GLN   4           HB1      GLN   4 -11.113  -9.895   4.018
   31    HG2  GLN   4           HG2      GLN   4  -9.836 -11.070   2.301
   32    HG3  GLN   4           HG1      GLN   4  -8.941  -9.597   1.926
   33   HE21  GLN   4          HE21      GLN   4  -8.626 -12.448   3.572
   34   HE22  GLN   4          HE22      GLN   4  -7.531 -11.968   4.774
   35    H    HIS   5           HN       HIS   5 -11.980  -6.561   3.033
   36    HA   HIS   5           HA       HIS   5 -11.055  -5.159   0.606
   37    HB2  HIS   5           HB2      HIS   5 -11.968  -3.173   1.693
   38    HB3  HIS   5           HB1      HIS   5 -13.149  -4.475   1.762
   39    HD2  HIS   5           HD2      HIS   5 -13.203  -5.818   4.398
   40    HE1  HIS   5           HE1      HIS   5 -11.534  -2.484   6.384
   41    HE2  HIS   5           HE2      HIS   5 -12.734  -4.703   6.700
   42    H    LEU   6           HN       LEU   6  -9.175  -4.001   0.488
   43    HA   LEU   6           HA       LEU   6  -7.292  -4.183   2.787
   44    HB2  LEU   6           HB2      LEU   6  -7.030  -3.785  -0.177
   45    HB3  LEU   6           HB1      LEU   6  -5.794  -3.097   0.846
   46    HG   LEU   6           HG       LEU   6  -5.005  -5.170   1.561
   47   HD11  LEU   6          HD11      LEU   6  -6.462  -7.309   1.055
   48   HD12  LEU   6          HD12      LEU   6  -7.788  -6.154   1.087
   49   HD13  LEU   6          HD13      LEU   6  -6.755  -6.351   2.500
   50   HD21  LEU   6          HD21      LEU   6  -4.988  -6.660  -0.446
   51   HD22  LEU   6          HD22      LEU   6  -4.543  -5.008  -0.809
   52   HD23  LEU   6          HD23      LEU   6  -6.154  -5.608  -1.210
   53    H    CYS   7           HN       CYS   7  -7.084  -2.440   4.090
   54    HA   CYS   7           HA       CYS   7  -7.406   0.290   2.927
   55    HB2  CYS   7           HB2      CYS   7  -8.746  -0.687   5.470
   56    HB3  CYS   7           HB1      CYS   7  -8.760   0.974   4.878
   57    H    GLY   8           HN       GLY   8  -5.693   1.501   3.498
   58    HA2  GLY   8           HA2      GLY   8  -3.914   2.352   4.786
   59    HA3  GLY   8           HA1      GLY   8  -4.573   1.480   6.169
   60    H    SER   9           HN       SER   9  -2.510   0.723   6.826
   61    HA   SER   9           HA       SER   9  -0.469  -0.437   5.360
   62    HB2  SER   9           HB2      SER   9  -1.559  -1.455   8.000
   63    HB3  SER   9           HB1      SER   9   0.041  -1.803   7.352
   64    HG   SER   9           HG       SER   9  -1.037   0.733   8.048
   65    H    ASP  10           HN       ASP  10  -3.629  -1.851   6.035
   66    HA   ASP  10           HA       ASP  10  -3.163  -4.558   5.519
   67    HB2  ASP  10           HB2      ASP  10  -5.465  -2.742   4.793
   68    HB3  ASP  10           HB1      ASP  10  -5.497  -4.459   4.395
   69    H    LEU  11           HN       LEU  11  -3.835  -2.001   3.115
   70    HA   LEU  11           HA       LEU  11  -3.553  -3.592   0.811
   71    HB2  LEU  11           HB2      LEU  11  -4.377  -1.303   0.631
   72    HB3  LEU  11           HB1      LEU  11  -2.857  -0.671   1.250
   73    HG   LEU  11           HG       LEU  11  -1.673  -1.396  -0.731
   74   HD11  LEU  11          HD11      LEU  11  -2.669  -3.488  -1.248
   75   HD12  LEU  11          HD12      LEU  11  -3.015  -2.431  -2.602
   76   HD13  LEU  11          HD13      LEU  11  -4.268  -2.761  -1.414
   77   HD21  LEU  11          HD21      LEU  11  -4.321  -0.150  -1.513
   78   HD22  LEU  11          HD22      LEU  11  -2.851  -0.129  -2.485
   79   HD23  LEU  11          HD23      LEU  11  -2.902   0.731  -0.946
   80    H    VAL  12           HN       VAL  12  -1.047  -1.660   2.477
   81    HA   VAL  12           HA       VAL  12   1.148  -2.272   0.862
   82    HB   VAL  12           HB       VAL  12   1.233  -2.208   3.892
   83   HG11  VAL  12          HG11      VAL  12   3.296  -2.880   2.486
   84   HG12  VAL  12          HG12      VAL  12   3.502  -1.565   3.637
   85   HG13  VAL  12          HG13      VAL  12   3.297  -1.210   1.925
   86   HG21  VAL  12          HG21      VAL  12   1.433   0.197   3.730
   87   HG22  VAL  12          HG22      VAL  12  -0.026  -0.269   2.861
   88   HG23  VAL  12          HG23      VAL  12   1.442   0.125   1.971
   89    H    GLU  13           HN       GLU  13   0.452  -4.048   3.899
   90    HA   GLU  13           HA       GLU  13   2.178  -6.197   3.505
   91    HB2  GLU  13           HB2      GLU  13  -0.626  -6.337   4.656
   92    HB3  GLU  13           HB1      GLU  13   0.649  -7.529   4.910
   93    HG2  GLU  13           HG2      GLU  13   2.068  -5.621   5.839
   94    HG3  GLU  13           HG1      GLU  13   0.593  -4.652   5.843
   95    H    ALA  14           HN       ALA  14  -0.830  -5.519   1.873
   96    HA   ALA  14           HA       ALA  14  -1.027  -8.199   0.715
   97    HB1  ALA  14           HB1      ALA  14  -2.711  -5.865   0.917
   98    HB2  ALA  14           HB2      ALA  14  -3.158  -7.507   0.473
   99    HB3  ALA  14           HB3      ALA  14  -2.634  -6.366  -0.769
  100    H    LEU  15           HN       LEU  15  -0.328  -4.931  -0.676
  101    HA   LEU  15           HA       LEU  15   0.373  -5.835  -3.236
  102    HB2  LEU  15           HB2      LEU  15   1.504  -3.571  -1.594
  103    HB3  LEU  15           HB1      LEU  15   2.055  -3.886  -3.236
  104    HG   LEU  15           HG       LEU  15  -0.907  -3.627  -2.711
  105   HD11  LEU  15          HD11      LEU  15  -0.848  -1.251  -2.927
  106   HD12  LEU  15          HD12      LEU  15   0.856  -1.253  -3.376
  107   HD13  LEU  15          HD13      LEU  15   0.382  -1.615  -1.720
  108   HD21  LEU  15          HD21      LEU  15   0.807  -2.791  -5.068
  109   HD22  LEU  15          HD22      LEU  15  -0.950  -2.909  -5.021
  110   HD23  LEU  15          HD23      LEU  15   0.032  -4.367  -4.942
  111    H    TYR  16           HN       TYR  16   2.211  -5.946  -0.233
  112    HA   TYR  16           HA       TYR  16   4.772  -6.543  -1.188
  113    HB2  TYR  16           HB2      TYR  16   4.330  -6.249   1.178
  114    HB3  TYR  16           HB1      TYR  16   3.345  -7.708   1.208
  115    HD1  TYR  16           HD2      TYR  16   6.761  -6.653   0.032
  116    HD2  TYR  16           HD1      TYR  16   4.389  -9.633   2.003
  117    HE1  TYR  16           HE2      TYR  16   8.798  -8.009   0.432
  118    HE2  TYR  16           HE1      TYR  16   6.422 -10.993   2.406
  119    HH   TYR  16           HH       TYR  16   8.735 -10.860   2.465
  120    H    LEU  17           HN       LEU  17   2.139  -8.940  -0.599
  121    HA   LEU  17           HA       LEU  17   3.696 -11.144  -1.637
  122    HB2  LEU  17           HB2      LEU  17   0.676 -10.847  -1.567
  123    HB3  LEU  17           HB1      LEU  17   1.559 -12.335  -1.829
  124    HG   LEU  17           HG       LEU  17   2.653 -11.957   0.444
  125   HD11  LEU  17          HD11      LEU  17   0.635  -9.731   0.407
  126   HD12  LEU  17          HD12      LEU  17   2.262  -9.752   1.063
  127   HD13  LEU  17          HD13      LEU  17   0.961 -10.551   1.930
  128   HD21  LEU  17          HD21      LEU  17  -0.288 -12.533   0.046
  129   HD22  LEU  17          HD22      LEU  17   0.451 -12.659   1.640
  130   HD23  LEU  17          HD23      LEU  17   1.027 -13.674   0.318
  131    H    VAL  18           HN       VAL  18   1.110  -9.145  -3.032
  132    HA   VAL  18           HA       VAL  18   0.983 -10.227  -5.603
  133    HB   VAL  18           HB       VAL  18   0.887  -7.280  -4.916
  134   HG11  VAL  18          HG11      VAL  18   0.933  -7.933  -7.346
  135   HG12  VAL  18          HG12      VAL  18  -0.495  -7.047  -6.839
  136   HG13  VAL  18          HG13      VAL  18  -0.581  -8.788  -7.070
  137   HG21  VAL  18          HG21      VAL  18  -1.328  -9.344  -4.886
  138   HG22  VAL  18          HG22      VAL  18  -1.515  -7.622  -4.562
  139   HG23  VAL  18          HG23      VAL  18  -0.590  -8.632  -3.453
  140    H    CYS  19           HN       CYS  19   2.982  -7.427  -4.668
  141    HA   CYS  19           HA       CYS  19   4.501  -7.546  -7.141
  142    HB2  CYS  19           HB2      CYS  19   5.350  -6.056  -4.664
  143    HB3  CYS  19           HB1      CYS  19   5.575  -5.614  -6.351
  144    H    GLY  20           HN       GLY  20   4.802  -8.919  -3.983
  145    HA2  GLY  20           HA2      GLY  20   6.497 -10.222  -2.999
  146    HA3  GLY  20           HA1      GLY  20   6.713 -10.835  -4.636
  147    H    GLU  21           HN       GLU  21   8.801 -10.688  -5.250
  148    HA   GLU  21           HA       GLU  21  10.640  -8.827  -3.960
  149    HB2  GLU  21           HB2      GLU  21  10.965 -10.778  -6.252
  150    HB3  GLU  21           HB1      GLU  21  12.287  -9.814  -5.594
  151    HG2  GLU  21           HG2      GLU  21  11.755 -10.790  -3.328
  152    HG3  GLU  21           HG1      GLU  21  10.626 -11.880  -4.133
  153    H    ARG  22           HN       ARG  22   8.557  -8.643  -6.660
  154    HA   ARG  22           HA       ARG  22  10.060  -7.045  -8.452
  155    HB2  ARG  22           HB2      ARG  22   7.102  -6.788  -7.833
  156    HB3  ARG  22           HB1      ARG  22   7.913  -6.225  -9.292
  157    HG2  ARG  22           HG2      ARG  22   8.558  -8.554  -9.826
  158    HG3  ARG  22           HG1      ARG  22   7.711  -9.111  -8.382
  159    HD2  ARG  22           HD2      ARG  22   6.141  -9.407 -10.140
  160    HD3  ARG  22           HD1      ARG  22   5.641  -7.915  -9.348
  161    HE   ARG  22           HE       ARG  22   7.362  -7.061 -11.348
  162   HH11  ARG  22          HH21      ARG  22   4.561  -9.060 -11.136
  163   HH12  ARG  22          HH22      ARG  22   3.999  -8.669 -12.726
  164   HH21  ARG  22          HH11      ARG  22   6.643  -6.539 -13.427
  165   HH22  ARG  22          HH12      ARG  22   5.177  -7.242 -14.023
  166    H    GLY  23           HN       GLY  23   8.557  -6.248  -5.388
  167    HA2  GLY  23           HA2      GLY  23   8.879  -4.312  -4.076
  168    HA3  GLY  23           HA1      GLY  23   9.966  -3.693  -5.323
  169    H    PHE  24           HN       PHE  24   7.818  -2.176  -4.013
  170    HA   PHE  24           HA       PHE  24   6.482  -1.253  -6.456
  171    HB2  PHE  24           HB2      PHE  24   4.231  -1.567  -5.647
  172    HB3  PHE  24           HB1      PHE  24   5.063  -3.117  -5.581
  173    HD1  PHE  24           HD1      PHE  24   5.747  -4.106  -3.449
  174    HD2  PHE  24           HD2      PHE  24   3.672  -0.346  -3.591
  175    HE1  PHE  24           HE1      PHE  24   5.276  -4.272  -1.022
  176    HE2  PHE  24           HE2      PHE  24   3.194  -0.525  -1.163
  177    HZ   PHE  24           HZ       PHE  24   3.997  -2.483   0.116
  178    H    PHE  25           HN       PHE  25   4.977   0.597  -5.870
  179    HA   PHE  25           HA       PHE  25   6.178   2.249  -3.675
  180    HB2  PHE  25           HB2      PHE  25   5.535   4.202  -5.128
  181    HB3  PHE  25           HB1      PHE  25   6.758   3.162  -5.859
  182    HD1  PHE  25           HD1      PHE  25   3.195   4.163  -5.937
  183    HD2  PHE  25           HD2      PHE  25   6.245   1.752  -7.770
  184    HE1  PHE  25           HE1      PHE  25   1.698   3.750  -7.881
  185    HE2  PHE  25           HE2      PHE  25   4.755   1.346  -9.710
  186    HZ   PHE  25           HZ       PHE  25   2.486   2.343  -9.765
  187    H    TYR  26           HN       TYR  26   4.726   2.941  -2.143
  188    HA   TYR  26           HA       TYR  26   1.943   2.159  -2.371
  189    HB2  TYR  26           HB2      TYR  26   3.354   2.544  -0.191
  190    HB3  TYR  26           HB1      TYR  26   2.916   4.240  -0.402
  191    HD1  TYR  26           HD1      TYR  26   1.348   0.829  -0.451
  192    HD2  TYR  26           HD2      TYR  26   0.876   4.988   0.530
  193    HE1  TYR  26           HE1      TYR  26  -0.883   0.365   0.524
  194    HE2  TYR  26           HE2      TYR  26  -1.347   4.506   1.510
  195    HH   TYR  26           HH       TYR  26  -2.590   2.660   2.423
  196    H    THR  27           HN       THR  27   0.205   3.989  -2.051
  197    HA   THR  27           HA       THR  27   0.382   5.672  -4.352
  198    HB   THR  27           HB       THR  27  -1.767   4.937  -3.441
  199    HG1  THR  27           HG1      THR  27  -1.292   7.099  -4.490
  200   HG21  THR  27          HG21      THR  27  -1.018   6.703  -1.091
  201   HG22  THR  27          HG22      THR  27  -1.334   4.972  -1.072
  202   HG23  THR  27          HG23      THR  27  -2.647   6.099  -1.390
  203    H    ASP  28           HN       ASP  28  -0.058   8.171  -4.050
  204    HA   ASP  28           HA       ASP  28   2.243   9.429  -3.347
  205    HB2  ASP  28           HB2      ASP  28  -0.352  10.255  -4.047
  206    HB3  ASP  28           HB1      ASP  28  -0.003  11.147  -2.570
  207    HA   PRO  29           HA       PRO  29   2.501   9.300   1.129
  208    HB2  PRO  29           HB2      PRO  29   4.189  11.452   1.564
  209    HB3  PRO  29           HB1      PRO  29   4.740   9.884   0.957
  210    HG2  PRO  29           HG2      PRO  29   4.366  12.447  -0.526
  211    HG3  PRO  29           HG1      PRO  29   5.473  11.109  -0.865
  212    HD2  PRO  29           HD2      PRO  29   3.045  11.607  -2.224
  213    HD3  PRO  29           HD1      PRO  29   3.979  10.095  -2.261
  214    H    THR  30           HN       THR  30   1.066  11.875  -0.567
  215    HA   THR  30           HA       THR  30   0.710  13.894   1.339
  216    HB   THR  30           HB       THR  30  -1.222  14.584   0.062
  217    HG1  THR  30           HG1      THR  30  -1.204  11.872  -0.673
  218   HG21  THR  30          HG21      THR  30   1.015  14.781  -1.001
  219   HG22  THR  30          HG22      THR  30  -0.265  14.549  -2.192
  220   HG23  THR  30          HG23      THR  30   0.780  13.200  -1.747
  221    H    GLY  31           HN       GLY  31  -1.206  10.910   0.985
  222    HA2  GLY  31           HA2      GLY  31  -2.587   9.860   2.580
  223    HA3  GLY  31           HA1      GLY  31  -1.878  10.928   3.785
  224    H    GLY  32           HN       GLY  32  -2.828  13.214   1.829
  225    HA2  GLY  32           HA2      GLY  32  -5.493  13.474   3.125
  226    HA3  GLY  32           HA1      GLY  32  -4.598  14.778   2.344
  227    H    GLY  33           HN       GLY  33  -4.013  12.969   0.039
  228    HA2  GLY  33           HA2      GLY  33  -6.505  12.187  -1.175
  229    HA3  GLY  33           HA1      GLY  33  -5.982  13.762  -1.781
  230    HA   PRO  34           HA       PRO  34  -2.297  10.956  -2.944
  231    HB2  PRO  34           HB2      PRO  34  -2.381   8.329  -2.067
  232    HB3  PRO  34           HB1      PRO  34  -1.592   9.632  -1.186
  233    HG2  PRO  34           HG2      PRO  34  -4.220   8.313  -0.669
  234    HG3  PRO  34           HG1      PRO  34  -3.077   9.025   0.484
  235    HD2  PRO  34           HD2      PRO  34  -5.427  10.268  -0.365
  236    HD3  PRO  34           HD1      PRO  34  -4.013  11.113   0.302
  237    H    ARG  35           HN       ARG  35  -2.066   8.683  -4.288
  238    HA   ARG  35           HA       ARG  35  -3.981   8.767  -6.383
  239    HB2  ARG  35           HB2      ARG  35  -1.584   7.665  -6.272
  240    HB3  ARG  35           HB1      ARG  35  -2.460   6.232  -5.746
  241    HG2  ARG  35           HG2      ARG  35  -3.907   6.436  -7.775
  242    HG3  ARG  35           HG1      ARG  35  -2.873   7.748  -8.336
  243    HD2  ARG  35           HD2      ARG  35  -0.936   5.989  -7.906
  244    HD3  ARG  35           HD1      ARG  35  -2.238   4.812  -8.072
  245    HE   ARG  35           HE       ARG  35  -0.925   6.145 -10.212
  246   HH11  ARG  35          HH21      ARG  35  -4.135   5.463  -9.130
  247   HH12  ARG  35          HH22      ARG  35  -4.853   5.787 -10.668
  248   HH21  ARG  35          HH11      ARG  35  -1.852   6.544 -12.216
  249   HH22  ARG  35          HH12      ARG  35  -3.565   6.387 -12.414
  250    H    ARG  36           HN       ARG  36  -6.067   8.686  -5.306
  251    HA   ARG  36           HA       ARG  36  -6.859   6.641  -3.506
  252    HB2  ARG  36           HB2      ARG  36  -8.805   7.739  -5.530
  253    HB3  ARG  36           HB1      ARG  36  -9.048   7.415  -3.813
  254    HG2  ARG  36           HG2      ARG  36  -7.341   9.282  -3.382
  255    HG3  ARG  36           HG1      ARG  36  -7.540   9.703  -5.081
  256    HD2  ARG  36           HD2      ARG  36 -10.177   9.474  -4.177
  257    HD3  ARG  36           HD1      ARG  36  -9.353  10.222  -2.814
  258    HE   ARG  36           HE       ARG  36 -10.152  11.597  -5.119
  259   HH11  ARG  36          HH21      ARG  36  -7.183  11.008  -3.451
  260   HH12  ARG  36          HH22      ARG  36  -6.419  12.437  -4.053
  261   HH21  ARG  36          HH11      ARG  36  -9.167  13.460  -5.893
  262   HH22  ARG  36          HH12      ARG  36  -7.538  13.824  -5.430
  263    H    GLY  37           HN       GLY  37  -6.562   6.708  -6.986
  264    HA2  GLY  37           HA2      GLY  37  -8.061   4.613  -7.914
  265    HA3  GLY  37           HA1      GLY  37  -6.417   4.889  -8.477
  266    H    ILE  38           HN       ILE  38  -5.400   4.314  -5.634
  267    HA   ILE  38           HA       ILE  38  -5.507   1.350  -5.928
  268    HB   ILE  38           HB       ILE  38  -3.323   2.978  -5.727
  269   HG12  ILE  38          HG12      ILE  38  -2.890   0.803  -6.426
  270   HG13  ILE  38          HG11      ILE  38  -2.088   0.824  -4.874
  271   HG21  ILE  38          HG21      ILE  38  -3.721   3.647  -3.421
  272   HG22  ILE  38          HG22      ILE  38  -2.272   2.658  -3.519
  273   HG23  ILE  38          HG23      ILE  38  -3.762   1.965  -2.901
  274   HD11  ILE  38          HD11      ILE  38  -4.499  -0.688  -5.749
  275   HD12  ILE  38          HD12      ILE  38  -4.542  -0.051  -4.107
  276   HD13  ILE  38          HD13      ILE  38  -3.247  -1.125  -4.595
  277    H    VAL  39           HN       VAL  39  -5.482   3.761  -3.272
  278    HA   VAL  39           HA       VAL  39  -6.245   1.910  -1.267
  279    HB   VAL  39           HB       VAL  39  -6.973   4.839  -1.213
  280   HG11  VAL  39          HG11      VAL  39  -6.646   4.572   1.177
  281   HG12  VAL  39          HG12      VAL  39  -6.042   2.931   0.951
  282   HG13  VAL  39          HG13      VAL  39  -7.734   3.301   0.620
  283   HG21  VAL  39          HG21      VAL  39  -4.580   4.933  -0.086
  284   HG22  VAL  39          HG22      VAL  39  -4.720   5.010  -1.839
  285   HG23  VAL  39          HG23      VAL  39  -4.275   3.492  -1.059
  286    H    GLU  40           HN       GLU  40  -8.434   4.425  -2.646
  287    HA   GLU  40           HA       GLU  40 -10.751   3.286  -1.487
  288    HB2  GLU  40           HB2      GLU  40 -12.005   4.805  -2.752
  289    HB3  GLU  40           HB1      GLU  40 -10.440   5.593  -2.593
  290    HG2  GLU  40           HG2      GLU  40 -10.840   5.843  -4.880
  291    HG3  GLU  40           HG1      GLU  40  -9.894   4.361  -4.846
  292    H    GLN  41           HN       GLN  41  -9.243   2.588  -4.624
  293    HA   GLN  41           HA       GLN  41 -11.315   1.045  -5.754
  294    HB2  GLN  41           HB2      GLN  41  -9.137   1.649  -6.870
  295    HB3  GLN  41           HB1      GLN  41  -8.356   0.378  -5.927
  296    HG2  GLN  41           HG2      GLN  41  -9.708  -1.322  -6.954
  297    HG3  GLN  41           HG1      GLN  41 -10.756  -0.123  -7.707
  298   HE21  GLN  41          HE21      GLN  41 -10.335  -0.526  -9.893
  299   HE22  GLN  41          HE22      GLN  41  -8.800  -0.389 -10.588
  300    H    CYS  42           HN       CYS  42  -8.575  -0.154  -3.794
  301    HA   CYS  42           HA       CYS  42  -9.934  -2.732  -3.433
  302    HB2  CYS  42           HB2      CYS  42  -7.328  -1.701  -2.288
  303    HB3  CYS  42           HB1      CYS  42  -7.898  -3.368  -2.244
  304    H    CYS  43           HN       CYS  43  -9.574   0.238  -1.592
  305    HA   CYS  43           HA       CYS  43 -10.317  -1.076   0.935
  306    HB2  CYS  43           HB2      CYS  43  -8.821   0.915   0.936
  307    HB3  CYS  43           HB1      CYS  43 -10.147   1.882   0.286
  308    H    HIS  44           HN       HIS  44 -11.856   1.334  -1.225
  309    HA   HIS  44           HA       HIS  44 -14.385   1.194   0.162
  310    HB2  HIS  44           HB2      HIS  44 -13.607   3.088  -1.340
  311    HB3  HIS  44           HB1      HIS  44 -13.959   2.040  -2.711
  312    HD2  HIS  44           HD2      HIS  44 -15.778   4.766  -1.200
  313    HE1  HIS  44           HE1      HIS  44 -18.819   1.881  -1.712
  314    HE2  HIS  44           HE2      HIS  44 -18.344   4.338  -1.255
  315    H    SER  45           HN       SER  45 -12.875  -0.676  -2.370
  316    HA   SER  45           HA       SER  45 -15.281  -2.459  -2.415
  317    HB2  SER  45           HB2      SER  45 -14.528  -2.727  -4.978
  318    HB3  SER  45           HB1      SER  45 -15.663  -1.479  -4.478
  319    HG   SER  45           HG       SER  45 -13.136  -0.644  -4.108
  320    H    ILE  46           HN       ILE  46 -14.739  -4.651  -3.171
  321    HA   ILE  46           HA       ILE  46 -12.124  -5.493  -2.132
  322    HB   ILE  46           HB       ILE  46 -14.102  -7.364  -3.440
  323   HG12  ILE  46          HG12      ILE  46 -15.452  -5.824  -1.984
  324   HG13  ILE  46          HG11      ILE  46 -15.445  -7.490  -1.425
  325   HG21  ILE  46          HG21      ILE  46 -13.390  -8.792  -1.511
  326   HG22  ILE  46          HG22      ILE  46 -12.246  -7.536  -1.053
  327   HG23  ILE  46          HG23      ILE  46 -12.078  -8.362  -2.603
  328   HD11  ILE  46          HD11      ILE  46 -13.578  -5.360  -0.353
  329   HD12  ILE  46          HD12      ILE  46 -13.800  -6.990   0.278
  330   HD13  ILE  46          HD13      ILE  46 -15.100  -5.810   0.408
  331    H    CYS  47           HN       CYS  47 -10.522  -4.966  -3.637
  332    HA   CYS  47           HA       CYS  47 -10.971  -5.604  -6.497
  333    HB2  CYS  47           HB2      CYS  47  -9.004  -4.367  -6.943
  334    HB3  CYS  47           HB1      CYS  47  -9.784  -3.484  -5.635
  335    H    SER  48           HN       SER  48  -9.541  -7.029  -7.660
  336    HA   SER  48           HA       SER  48  -8.666  -9.326  -6.035
  337    HB2  SER  48           HB2      SER  48  -8.167  -9.219  -8.988
  338    HB3  SER  48           HB1      SER  48  -8.730 -10.558  -7.994
  339    HG   SER  48           HG       SER  48 -10.136  -8.478  -9.189
  340    H    LEU  49           HN       LEU  49  -6.463 -10.277  -6.603
  341    HA   LEU  49           HA       LEU  49  -4.397  -8.439  -5.956
  342    HB2  LEU  49           HB2      LEU  49  -4.036 -11.074  -7.401
  343    HB3  LEU  49           HB1      LEU  49  -2.868 -10.262  -6.366
  344    HG   LEU  49           HG       LEU  49  -5.437 -11.637  -5.556
  345   HD11  LEU  49          HD11      LEU  49  -2.541 -11.870  -4.679
  346   HD12  LEU  49          HD12      LEU  49  -3.439 -13.046  -5.639
  347   HD13  LEU  49          HD13      LEU  49  -3.879 -12.761  -3.955
  348   HD21  LEU  49          HD21      LEU  49  -4.781 -10.810  -3.214
  349   HD22  LEU  49          HD22      LEU  49  -5.532  -9.621  -4.279
  350   HD23  LEU  49          HD23      LEU  49  -3.786  -9.618  -4.047
  351    H    TYR  50           HN       TYR  50  -5.656  -9.608  -8.985
  352    HA   TYR  50           HA       TYR  50  -3.777  -8.952 -10.860
  353    HB2  TYR  50           HB2      TYR  50  -6.269  -9.772 -11.012
  354    HB3  TYR  50           HB1      TYR  50  -6.633  -8.060 -11.238
  355    HD1  TYR  50           HD2      TYR  50  -4.762 -10.929 -12.505
  356    HD2  TYR  50           HD1      TYR  50  -6.061  -6.933 -13.252
  357    HE1  TYR  50           HE2      TYR  50  -4.050 -11.160 -14.883
  358    HE2  TYR  50           HE1      TYR  50  -5.357  -7.131 -15.632
  359    HH   TYR  50           HH       TYR  50  -4.465 -10.169 -17.028
  360    H    GLN  51           HN       GLN  51  -6.255  -6.708  -9.670
  361    HA   GLN  51           HA       GLN  51  -5.159  -4.395 -10.952
  362    HB2  GLN  51           HB2      GLN  51  -6.666  -4.319  -8.327
  363    HB3  GLN  51           HB1      GLN  51  -6.635  -3.116  -9.611
  364    HG2  GLN  51           HG2      GLN  51  -7.621  -4.984 -11.125
  365    HG3  GLN  51           HG1      GLN  51  -8.020  -5.791  -9.609
  366   HE21  GLN  51          HE21      GLN  51  -9.863  -4.543 -11.639
  367   HE22  GLN  51          HE22      GLN  51 -10.772  -3.396 -10.779
  368    H    LEU  52           HN       LEU  52  -4.635  -5.772  -7.720
  369    HA   LEU  52           HA       LEU  52  -2.918  -3.692  -6.803
  370    HB2  LEU  52           HB2      LEU  52  -2.932  -6.636  -6.122
  371    HB3  LEU  52           HB1      LEU  52  -2.039  -5.408  -5.231
  372    HG   LEU  52           HG       LEU  52  -5.052  -5.498  -5.590
  373   HD11  LEU  52          HD11      LEU  52  -5.087  -5.993  -3.221
  374   HD12  LEU  52          HD12      LEU  52  -3.335  -5.834  -3.122
  375   HD13  LEU  52          HD13      LEU  52  -4.054  -7.163  -4.036
  376   HD21  LEU  52          HD21      LEU  52  -4.688  -3.667  -3.647
  377   HD22  LEU  52          HD22      LEU  52  -4.703  -3.218  -5.351
  378   HD23  LEU  52          HD23      LEU  52  -3.171  -3.437  -4.519
  379    H    GLU  53           HN       GLU  53  -2.483  -6.449  -8.858
  380    HA   GLU  53           HA       GLU  53   0.394  -6.353  -8.923
  381    HB2  GLU  53           HB2      GLU  53  -1.620  -8.073  -9.872
  382    HB3  GLU  53           HB1      GLU  53  -0.887  -7.448 -11.346
  383    HG2  GLU  53           HG2      GLU  53   1.382  -8.059 -10.050
  384    HG3  GLU  53           HG1      GLU  53   0.315  -9.165  -9.188
  385    H    ASN  54           HN       ASN  54  -1.996  -4.336 -10.069
  386    HA   ASN  54           HA       ASN  54  -0.739  -3.453 -12.531
  387    HB2  ASN  54           HB2      ASN  54  -3.234  -3.244 -11.745
  388    HB3  ASN  54           HB1      ASN  54  -2.682  -1.788 -10.919
  389   HD21  ASN  54          HD21      ASN  54  -4.527  -1.897 -13.225
  390   HD22  ASN  54          HD22      ASN  54  -3.780  -1.037 -14.480
  391    H    TYR  55           HN       TYR  55  -0.506  -2.608  -9.143
  392    HA   TYR  55           HA       TYR  55   1.177  -0.228  -9.793
  393    HB2  TYR  55           HB2      TYR  55   0.288  -1.133  -7.053
  394    HB3  TYR  55           HB1      TYR  55   0.802   0.472  -7.556
  395    HD1  TYR  55           HD2      TYR  55  -1.875  -2.024  -7.776
  396    HD2  TYR  55           HD1      TYR  55  -0.689   1.974  -8.698
  397    HE1  TYR  55           HE2      TYR  55  -4.238  -1.474  -8.349
  398    HE2  TYR  55           HE1      TYR  55  -3.036   2.542  -9.281
  399    HH   TYR  55           HH       TYR  55  -5.315   1.715  -8.749
  400    H    CYS  56           HN       CYS  56   1.716  -3.444  -9.509
  401    HA   CYS  56           HA       CYS  56   3.966  -3.367  -7.629
  402    HB2  CYS  56           HB2      CYS  56   2.999  -5.468  -9.586
  403    HB3  CYS  56           HB1      CYS  56   4.402  -5.681  -8.550
  404    H    ASN  57           HN       ASN  57   5.743  -2.219  -8.261
  405    HA   ASN  57           HA       ASN  57   7.451  -1.382  -9.646
  406    HB2  ASN  57           HB2      ASN  57   8.221  -3.685  -9.505
  407    HB3  ASN  57           HB1      ASN  57   7.095  -4.177 -10.770
  408   HD21  ASN  57          HD21      ASN  57  10.212  -2.715 -10.159
  409   HD22  ASN  57          HD22      ASN  57  10.644  -2.485 -11.785
  Start of MODEL    8
    1    H1   PHE   1           HT1      PHE   1  -7.031 -12.903   2.285
    2    H2   PHE   1           HT2      PHE   1  -5.726 -12.179   3.099
    3    H3   PHE   1           HT3      PHE   1  -5.470 -13.548   2.125
    4    HA   PHE   1           HA       PHE   1  -5.974 -10.767   1.337
    5    HB2  PHE   1           HB2      PHE   1  -3.697 -11.961   1.492
    6    HB3  PHE   1           HB1      PHE   1  -4.190 -12.871   0.076
    7    HD1  PHE   1           HD2      PHE   1  -5.744  -9.906  -0.661
    8    HD2  PHE   1           HD1      PHE   1  -1.790 -11.443  -0.079
    9    HE1  PHE   1           HE2      PHE   1  -4.844  -8.129  -2.060
   10    HE2  PHE   1           HE1      PHE   1  -0.886  -9.644  -1.485
   11    HZ   PHE   1           HZ       PHE   1  -2.401  -7.980  -2.479
   12    H    VAL   2           HN       VAL   2  -8.090 -12.836   1.187
   13    HA   VAL   2           HA       VAL   2  -8.270 -13.412  -1.726
   14    HB   VAL   2           HB       VAL   2 -10.450 -14.611  -0.769
   15   HG11  VAL   2          HG11      VAL   2  -8.592 -15.829  -1.745
   16   HG12  VAL   2          HG12      VAL   2  -9.042 -16.602  -0.224
   17   HG13  VAL   2          HG13      VAL   2  -7.616 -15.567  -0.299
   18   HG21  VAL   2          HG21      VAL   2 -10.386 -15.152   1.530
   19   HG22  VAL   2          HG22      VAL   2  -9.953 -13.443   1.509
   20   HG23  VAL   2          HG23      VAL   2  -8.699 -14.667   1.693
   21    H    ASN   3           HN       ASN   3 -11.082 -12.935   0.268
   22    HA   ASN   3           HA       ASN   3 -11.937 -10.684  -1.498
   23    HB2  ASN   3           HB2      ASN   3 -13.650 -12.450   0.269
   24    HB3  ASN   3           HB1      ASN   3 -14.208 -11.319  -0.965
   25   HD21  ASN   3          HD21      ASN   3 -15.188 -12.950  -2.315
   26   HD22  ASN   3          HD22      ASN   3 -14.263 -14.110  -3.141
   27    H    GLN   4           HN       GLN   4 -10.216 -10.470   0.922
   28    HA   GLN   4           HA       GLN   4 -11.997  -9.043   2.821
   29    HB2  GLN   4           HB2      GLN   4  -9.570  -8.773   3.943
   30    HB3  GLN   4           HB1      GLN   4 -10.516 -10.245   4.116
   31    HG2  GLN   4           HG2      GLN   4  -9.316 -11.277   2.242
   32    HG3  GLN   4           HG1      GLN   4  -8.397  -9.790   1.995
   33   HE21  GLN   4          HE21      GLN   4  -8.219 -12.800   3.442
   34   HE22  GLN   4          HE22      GLN   4  -7.048 -12.464   4.621
   35    H    HIS   5           HN       HIS   5 -11.388  -6.864   3.507
   36    HA   HIS   5           HA       HIS   5 -10.624  -5.205   1.190
   37    HB2  HIS   5           HB2      HIS   5 -11.304  -3.341   2.829
   38    HB3  HIS   5           HB1      HIS   5 -12.575  -4.442   2.303
   39    HD2  HIS   5           HD2      HIS   5 -10.827  -3.360   5.585
   40    HE1  HIS   5           HE1      HIS   5 -13.303  -6.648   6.537
   41    HE2  HIS   5           HE2      HIS   5 -11.863  -4.785   7.496
   42    H    LEU   6           HN       LEU   6  -8.698  -4.182   1.004
   43    HA   LEU   6           HA       LEU   6  -6.708  -4.443   3.199
   44    HB2  LEU   6           HB2      LEU   6  -6.599  -3.922   0.243
   45    HB3  LEU   6           HB1      LEU   6  -5.314  -3.264   1.225
   46    HG   LEU   6           HG       LEU   6  -4.458  -5.351   1.789
   47   HD11  LEU   6          HD11      LEU   6  -7.266  -6.336   1.509
   48   HD12  LEU   6          HD12      LEU   6  -6.114  -6.586   2.819
   49   HD13  LEU   6          HD13      LEU   6  -5.947  -7.486   1.321
   50   HD21  LEU   6          HD21      LEU   6  -4.181  -5.115  -0.604
   51   HD22  LEU   6          HD22      LEU   6  -5.812  -5.725  -0.898
   52   HD23  LEU   6          HD23      LEU   6  -4.584  -6.782  -0.255
   53    H    CYS   7           HN       CYS   7  -6.286  -2.724   4.501
   54    HA   CYS   7           HA       CYS   7  -6.770   0.030   3.472
   55    HB2  CYS   7           HB2      CYS   7  -7.895  -1.045   6.080
   56    HB3  CYS   7           HB1      CYS   7  -7.971   0.635   5.546
   57    H    GLY   8           HN       GLY   8  -5.034   1.244   3.938
   58    HA2  GLY   8           HA2      GLY   8  -3.165   2.083   5.102
   59    HA3  GLY   8           HA1      GLY   8  -3.702   1.167   6.509
   60    H    SER   9           HN       SER   9  -1.575   0.435   6.972
   61    HA   SER   9           HA       SER   9   0.357  -0.659   5.327
   62    HB2  SER   9           HB2      SER   9  -0.546  -1.580   8.064
   63    HB3  SER   9           HB1      SER   9   0.892  -2.214   7.268
   64    HG   SER   9           HG       SER   9   1.380   0.171   7.014
   65    H    ASP  10           HN       ASP  10  -2.719  -2.156   6.203
   66    HA   ASP  10           HA       ASP  10  -2.230  -4.834   5.556
   67    HB2  ASP  10           HB2      ASP  10  -4.637  -3.059   5.139
   68    HB3  ASP  10           HB1      ASP  10  -4.665  -4.749   4.637
   69    H    LEU  11           HN       LEU  11  -3.185  -2.222   3.307
   70    HA   LEU  11           HA       LEU  11  -3.083  -3.733   0.940
   71    HB2  LEU  11           HB2      LEU  11  -3.936  -1.450   0.887
   72    HB3  LEU  11           HB1      LEU  11  -2.378  -0.817   1.406
   73    HG   LEU  11           HG       LEU  11  -1.342  -1.458  -0.683
   74   HD11  LEU  11          HD11      LEU  11  -2.802  -2.484  -2.471
   75   HD12  LEU  11          HD12      LEU  11  -3.957  -2.862  -1.202
   76   HD13  LEU  11          HD13      LEU  11  -2.337  -3.561  -1.168
   77   HD21  LEU  11          HD21      LEU  11  -2.649  -0.156  -2.302
   78   HD22  LEU  11          HD22      LEU  11  -2.652   0.648  -0.732
   79   HD23  LEU  11          HD23      LEU  11  -4.068  -0.262  -1.261
   80    H    VAL  12           HN       VAL  12  -0.467  -1.774   2.386
   81    HA   VAL  12           HA       VAL  12   1.592  -2.328   0.601
   82    HB   VAL  12           HB       VAL  12   1.945  -2.354   3.608
   83   HG11  VAL  12          HG11      VAL  12   3.878  -2.864   1.944
   84   HG12  VAL  12          HG12      VAL  12   4.150  -1.637   3.177
   85   HG13  VAL  12          HG13      VAL  12   3.771  -1.154   1.526
   86   HG21  VAL  12          HG21      VAL  12   0.541  -0.445   3.006
   87   HG22  VAL  12          HG22      VAL  12   1.641  -0.017   1.698
   88   HG23  VAL  12          HG23      VAL  12   2.168   0.126   3.374
   89    H    GLU  13           HN       GLU  13   1.184  -4.192   3.639
   90    HA   GLU  13           HA       GLU  13   2.911  -6.298   3.040
   91    HB2  GLU  13           HB2      GLU  13   0.219  -6.564   4.412
   92    HB3  GLU  13           HB1      GLU  13   1.582  -7.672   4.568
   93    HG2  GLU  13           HG2      GLU  13   2.951  -5.868   5.539
   94    HG3  GLU  13           HG1      GLU  13   1.598  -4.748   5.374
   95    H    ALA  14           HN       ALA  14  -0.275  -5.664   1.733
   96    HA   ALA  14           HA       ALA  14  -0.518  -8.311   0.522
   97    HB1  ALA  14           HB1      ALA  14  -2.272  -6.465  -0.777
   98    HB2  ALA  14           HB2      ALA  14  -2.218  -6.017   0.922
   99    HB3  ALA  14           HB3      ALA  14  -2.673  -7.655   0.466
  100    H    LEU  15           HN       LEU  15   0.029  -5.004  -0.847
  101    HA   LEU  15           HA       LEU  15   0.506  -5.847  -3.480
  102    HB2  LEU  15           HB2      LEU  15   1.757  -3.604  -1.896
  103    HB3  LEU  15           HB1      LEU  15   2.167  -3.883  -3.585
  104    HG   LEU  15           HG       LEU  15  -0.740  -3.661  -2.804
  105   HD11  LEU  15          HD11      LEU  15   0.950  -1.263  -3.563
  106   HD12  LEU  15          HD12      LEU  15   0.600  -1.658  -1.884
  107   HD13  LEU  15          HD13      LEU  15  -0.716  -1.279  -2.991
  108   HD21  LEU  15          HD21      LEU  15   0.001  -4.348  -5.120
  109   HD22  LEU  15          HD22      LEU  15   0.770  -2.774  -5.279
  110   HD23  LEU  15          HD23      LEU  15  -0.977  -2.884  -5.088
  111    H    TYR  16           HN       TYR  16   2.632  -5.953  -0.662
  112    HA   TYR  16           HA       TYR  16   5.090  -6.520  -1.854
  113    HB2  TYR  16           HB2      TYR  16   4.855  -6.277   0.550
  114    HB3  TYR  16           HB1      TYR  16   3.904  -7.756   0.636
  115    HD1  TYR  16           HD2      TYR  16   7.180  -6.602  -0.812
  116    HD2  TYR  16           HD1      TYR  16   5.048  -9.680   1.281
  117    HE1  TYR  16           HE2      TYR  16   9.270  -7.924  -0.630
  118    HE2  TYR  16           HE1      TYR  16   7.137 -11.007   1.465
  119    HH   TYR  16           HH       TYR  16  10.027 -10.119  -0.254
  120    H    LEU  17           HN       LEU  17   2.531  -8.950  -1.103
  121    HA   LEU  17           HA       LEU  17   4.025 -11.113  -2.317
  122    HB2  LEU  17           HB2      LEU  17   1.021 -10.867  -1.970
  123    HB3  LEU  17           HB1      LEU  17   1.897 -12.335  -2.343
  124    HG   LEU  17           HG       LEU  17   3.180 -11.998  -0.171
  125   HD11  LEU  17          HD11      LEU  17   1.617 -10.627   1.488
  126   HD12  LEU  17          HD12      LEU  17   1.169  -9.774   0.016
  127   HD13  LEU  17          HD13      LEU  17   2.846  -9.812   0.533
  128   HD21  LEU  17          HD21      LEU  17   0.215 -12.574  -0.307
  129   HD22  LEU  17          HD22      LEU  17   1.102 -12.735   1.207
  130   HD23  LEU  17          HD23      LEU  17   1.550 -13.717  -0.187
  131    H    VAL  18           HN       VAL  18   1.281  -9.142  -3.429
  132    HA   VAL  18           HA       VAL  18   0.959 -10.169  -6.006
  133    HB   VAL  18           HB       VAL  18   0.856  -7.240  -5.244
  134   HG11  VAL  18          HG11      VAL  18   0.713  -7.849  -7.687
  135   HG12  VAL  18          HG12      VAL  18  -0.675  -6.989  -7.042
  136   HG13  VAL  18          HG13      VAL  18  -0.763  -8.726  -7.301
  137   HG21  VAL  18          HG21      VAL  18  -1.327  -9.334  -5.102
  138   HG22  VAL  18          HG22      VAL  18  -1.489  -7.629  -4.683
  139   HG23  VAL  18          HG23      VAL  18  -0.469  -8.685  -3.706
  140    H    CYS  19           HN       CYS  19   2.973  -7.354  -5.164
  141    HA   CYS  19           HA       CYS  19   4.281  -7.359  -7.755
  142    HB2  CYS  19           HB2      CYS  19   5.284  -5.934  -5.296
  143    HB3  CYS  19           HB1      CYS  19   5.391  -5.434  -6.980
  144    H    GLY  20           HN       GLY  20   4.880  -8.829  -4.680
  145    HA2  GLY  20           HA2      GLY  20   6.664 -10.150  -3.904
  146    HA3  GLY  20           HA1      GLY  20   6.773 -10.672  -5.581
  147    H    GLU  21           HN       GLU  21   8.789 -10.418  -6.368
  148    HA   GLU  21           HA       GLU  21  10.685  -8.591  -5.103
  149    HB2  GLU  21           HB2      GLU  21  10.894 -10.401  -7.522
  150    HB3  GLU  21           HB1      GLU  21  12.239  -9.460  -6.875
  151    HG2  GLU  21           HG2      GLU  21  11.995 -10.600  -4.702
  152    HG3  GLU  21           HG1      GLU  21  10.648 -11.539  -5.345
  153    H    ARG  22           HN       ARG  22   8.458  -8.378  -7.716
  154    HA   ARG  22           HA       ARG  22   9.796  -6.628  -9.478
  155    HB2  ARG  22           HB2      ARG  22   6.870  -6.575  -8.683
  156    HB3  ARG  22           HB1      ARG  22   7.555  -5.834 -10.127
  157    HG2  ARG  22           HG2      ARG  22   8.134  -7.948 -11.069
  158    HG3  ARG  22           HG1      ARG  22   7.902  -8.778  -9.540
  159    HD2  ARG  22           HD2      ARG  22   5.707  -9.138 -10.004
  160    HD3  ARG  22           HD1      ARG  22   5.426  -7.430 -10.291
  161    HE   ARG  22           HE       ARG  22   5.542  -9.468 -12.280
  162   HH11  ARG  22          HH21      ARG  22   6.897  -6.358 -11.661
  163   HH12  ARG  22          HH22      ARG  22   7.228  -6.031 -13.326
  164   HH21  ARG  22          HH11      ARG  22   5.963  -9.052 -14.446
  165   HH22  ARG  22          HH12      ARG  22   6.699  -7.552 -14.901
  166    H    GLY  23           HN       GLY  23   8.422  -6.034  -6.306
  167    HA2  GLY  23           HA2      GLY  23   8.752  -4.163  -4.913
  168    HA3  GLY  23           HA1      GLY  23   9.767  -3.452  -6.173
  169    H    PHE  24           HN       PHE  24   7.688  -2.027  -4.701
  170    HA   PHE  24           HA       PHE  24   6.191  -1.033  -7.018
  171    HB2  PHE  24           HB2      PHE  24   4.000  -1.419  -6.098
  172    HB3  PHE  24           HB1      PHE  24   4.861  -2.955  -6.112
  173    HD1  PHE  24           HD1      PHE  24   5.649  -3.993  -4.051
  174    HD2  PHE  24           HD2      PHE  24   3.561  -0.239  -3.981
  175    HE1  PHE  24           HE1      PHE  24   5.314  -4.222  -1.606
  176    HE2  PHE  24           HE2      PHE  24   3.218  -0.481  -1.538
  177    HZ   PHE  24           HZ       PHE  24   4.095  -2.468  -0.355
  178    H    PHE  25           HN       PHE  25   4.712   0.783  -6.269
  179    HA   PHE  25           HA       PHE  25   6.047   2.366  -4.098
  180    HB2  PHE  25           HB2      PHE  25   5.296   4.365  -5.421
  181    HB3  PHE  25           HB1      PHE  25   6.456   3.358  -6.290
  182    HD1  PHE  25           HD1      PHE  25   2.831   4.153  -5.941
  183    HD2  PHE  25           HD2      PHE  25   5.857   2.225  -8.306
  184    HE1  PHE  25           HE1      PHE  25   1.182   3.818  -7.772
  185    HE2  PHE  25           HE2      PHE  25   4.215   1.895 -10.135
  186    HZ   PHE  25           HZ       PHE  25   1.882   2.691  -9.868
  187    H    TYR  26           HN       TYR  26   4.690   3.291  -2.560
  188    HA   TYR  26           HA       TYR  26   1.919   2.348  -2.529
  189    HB2  TYR  26           HB2      TYR  26   3.517   2.745  -0.475
  190    HB3  TYR  26           HB1      TYR  26   2.992   4.424  -0.612
  191    HD1  TYR  26           HD1      TYR  26   1.560   0.951  -0.614
  192    HD2  TYR  26           HD2      TYR  26   1.023   5.064   0.513
  193    HE1  TYR  26           HE1      TYR  26  -0.572   0.383   0.518
  194    HE2  TYR  26           HE2      TYR  26  -1.099   4.481   1.649
  195    HH   TYR  26           HH       TYR  26  -1.939   1.668   2.636
  196    H    THR  27           HN       THR  27   0.168   4.124  -2.041
  197    HA   THR  27           HA       THR  27   0.086   5.831  -4.330
  198    HB   THR  27           HB       THR  27  -1.953   5.024  -3.239
  199    HG1  THR  27           HG1      THR  27  -3.021   6.999  -3.316
  200   HG21  THR  27          HG21      THR  27  -1.141   5.147  -0.910
  201   HG22  THR  27          HG22      THR  27  -2.678   5.973  -1.098
  202   HG23  THR  27          HG23      THR  27  -1.184   6.904  -0.987
  203    H    ASP  28           HN       ASP  28  -0.447   8.275  -4.000
  204    HA   ASP  28           HA       ASP  28   1.846   9.657  -3.424
  205    HB2  ASP  28           HB2      ASP  28  -0.947  10.312  -3.863
  206    HB3  ASP  28           HB1      ASP  28  -0.243  11.463  -2.737
  207    HA   PRO  29           HA       PRO  29   2.174   9.675   1.054
  208    HB2  PRO  29           HB2      PRO  29   3.808  11.877   1.392
  209    HB3  PRO  29           HB1      PRO  29   4.391  10.313   0.803
  210    HG2  PRO  29           HG2      PRO  29   3.859  12.825  -0.731
  211    HG3  PRO  29           HG1      PRO  29   5.049  11.554  -1.043
  212    HD2  PRO  29           HD2      PRO  29   2.615  11.843  -2.411
  213    HD3  PRO  29           HD1      PRO  29   3.603  10.365  -2.356
  214    H    THR  30           HN       THR  30   0.610  12.152  -0.686
  215    HA   THR  30           HA       THR  30   0.267  14.226   1.160
  216    HB   THR  30           HB       THR  30  -1.779  14.777  -0.039
  217    HG1  THR  30           HG1      THR  30  -2.951  13.270  -0.902
  218   HG21  THR  30          HG21      THR  30   0.344  13.529  -1.809
  219   HG22  THR  30          HG22      THR  30   0.328  15.184  -1.206
  220   HG23  THR  30          HG23      THR  30  -0.891  14.657  -2.366
  221    H    GLY  31           HN       GLY  31  -1.558  11.173   0.999
  222    HA2  GLY  31           HA2      GLY  31  -2.823  10.123   2.681
  223    HA3  GLY  31           HA1      GLY  31  -2.071  11.228   3.826
  224    H    GLY  32           HN       GLY  32  -3.204  13.466   1.924
  225    HA2  GLY  32           HA2      GLY  32  -5.820  13.632   3.343
  226    HA3  GLY  32           HA1      GLY  32  -4.993  14.976   2.552
  227    H    GLY  33           HN       GLY  33  -4.490  12.849   0.338
  228    HA2  GLY  33           HA2      GLY  33  -6.988  12.181  -0.853
  229    HA3  GLY  33           HA1      GLY  33  -6.442  13.727  -1.512
  230    HA   PRO  34           HA       PRO  34  -2.811  10.828  -2.591
  231    HB2  PRO  34           HB2      PRO  34  -3.021   8.183  -1.731
  232    HB3  PRO  34           HB1      PRO  34  -2.143   9.444  -0.863
  233    HG2  PRO  34           HG2      PRO  34  -4.815   8.254  -0.281
  234    HG3  PRO  34           HG1      PRO  34  -3.637   8.962   0.839
  235    HD2  PRO  34           HD2      PRO  34  -5.966  10.247  -0.029
  236    HD3  PRO  34           HD1      PRO  34  -4.536  11.066   0.630
  237    H    ARG  35           HN       ARG  35  -2.645   8.573  -3.940
  238    HA   ARG  35           HA       ARG  35  -4.523   8.713  -6.056
  239    HB2  ARG  35           HB2      ARG  35  -2.187   7.538  -5.922
  240    HB3  ARG  35           HB1      ARG  35  -3.093   6.147  -5.335
  241    HG2  ARG  35           HG2      ARG  35  -4.490   6.183  -7.351
  242    HG3  ARG  35           HG1      ARG  35  -3.613   7.589  -7.954
  243    HD2  ARG  35           HD2      ARG  35  -1.524   5.894  -7.461
  244    HD3  ARG  35           HD1      ARG  35  -2.773   4.727  -7.884
  245    HE   ARG  35           HE       ARG  35  -1.327   6.279  -9.736
  246   HH11  ARG  35          HH21      ARG  35  -4.632   5.650  -8.949
  247   HH12  ARG  35          HH22      ARG  35  -5.222   6.146 -10.495
  248   HH21  ARG  35          HH11      ARG  35  -2.087   6.905 -11.750
  249   HH22  ARG  35          HH12      ARG  35  -3.787   6.848 -12.081
  250    H    ARG  36           HN       ARG  36  -6.620   8.734  -4.981
  251    HA   ARG  36           HA       ARG  36  -7.525   6.677  -3.231
  252    HB2  ARG  36           HB2      ARG  36  -9.853   7.399  -4.305
  253    HB3  ARG  36           HB1      ARG  36  -8.977   8.499  -3.242
  254    HG2  ARG  36           HG2      ARG  36  -8.090   9.740  -5.054
  255    HG3  ARG  36           HG1      ARG  36  -8.525   8.504  -6.226
  256    HD2  ARG  36           HD2      ARG  36 -10.993   9.032  -5.380
  257    HD3  ARG  36           HD1      ARG  36 -10.272  10.561  -4.894
  258    HE   ARG  36           HE       ARG  36 -11.043   9.863  -7.536
  259   HH11  ARG  36          HH21      ARG  36  -8.324  11.187  -5.866
  260   HH12  ARG  36          HH22      ARG  36  -7.604  11.833  -7.298
  261   HH21  ARG  36          HH11      ARG  36 -10.125  10.724  -9.393
  262   HH22  ARG  36          HH12      ARG  36  -8.624  11.581  -9.288
  263    H    GLY  37           HN       GLY  37  -6.438   6.321  -6.304
  264    HA2  GLY  37           HA2      GLY  37  -8.440   4.480  -7.331
  265    HA3  GLY  37           HA1      GLY  37  -6.842   4.759  -8.020
  266    H    ILE  38           HN       ILE  38  -5.630   4.215  -5.248
  267    HA   ILE  38           HA       ILE  38  -5.706   1.249  -5.522
  268    HB   ILE  38           HB       ILE  38  -3.542   2.922  -5.486
  269   HG12  ILE  38          HG12      ILE  38  -3.195   0.738  -6.236
  270   HG13  ILE  38          HG11      ILE  38  -2.201   0.804  -4.800
  271   HG21  ILE  38          HG21      ILE  38  -3.770   3.556  -3.143
  272   HG22  ILE  38          HG22      ILE  38  -2.317   2.596  -3.372
  273   HG23  ILE  38          HG23      ILE  38  -3.741   1.865  -2.648
  274   HD11  ILE  38          HD11      ILE  38  -4.523  -0.099  -3.709
  275   HD12  ILE  38          HD12      ILE  38  -3.273  -1.156  -4.334
  276   HD13  ILE  38          HD13      ILE  38  -4.667  -0.774  -5.332
  277    H    VAL  39           HN       VAL  39  -5.502   3.651  -2.862
  278    HA   VAL  39           HA       VAL  39  -6.083   1.780  -0.815
  279    HB   VAL  39           HB       VAL  39  -6.876   4.689  -0.665
  280   HG11  VAL  39          HG11      VAL  39  -5.632   2.814   1.368
  281   HG12  VAL  39          HG12      VAL  39  -7.366   3.102   1.226
  282   HG13  VAL  39          HG13      VAL  39  -6.286   4.424   1.670
  283   HG21  VAL  39          HG21      VAL  39  -4.385   4.885   0.182
  284   HG22  VAL  39          HG22      VAL  39  -4.716   4.934  -1.546
  285   HG23  VAL  39          HG23      VAL  39  -4.127   3.446  -0.806
  286    H    GLU  40           HN       GLU  40  -8.389   4.267  -2.018
  287    HA   GLU  40           HA       GLU  40 -10.644   3.176  -0.732
  288    HB2  GLU  40           HB2      GLU  40 -10.594   4.571  -3.418
  289    HB3  GLU  40           HB1      GLU  40 -11.996   4.397  -2.364
  290    HG2  GLU  40           HG2      GLU  40 -10.630   5.589  -0.567
  291    HG3  GLU  40           HG1      GLU  40  -9.475   5.984  -1.840
  292    H    GLN  41           HN       GLN  41  -9.501   2.514  -4.056
  293    HA   GLN  41           HA       GLN  41 -11.486   0.801  -4.945
  294    HB2  GLN  41           HB2      GLN  41  -9.363   1.475  -6.164
  295    HB3  GLN  41           HB1      GLN  41  -8.540   0.174  -5.302
  296    HG2  GLN  41           HG2      GLN  41 -10.040  -1.477  -6.265
  297    HG3  GLN  41           HG1      GLN  41 -11.018  -0.214  -7.009
  298   HE21  GLN  41          HE21      GLN  41 -10.634  -0.675  -9.196
  299   HE22  GLN  41          HE22      GLN  41  -9.099  -0.613  -9.903
  300    H    CYS  42           HN       CYS  42  -8.575  -0.334  -3.192
  301    HA   CYS  42           HA       CYS  42  -9.866  -2.926  -2.719
  302    HB2  CYS  42           HB2      CYS  42  -7.195  -1.856  -1.781
  303    HB3  CYS  42           HB1      CYS  42  -7.734  -3.531  -1.691
  304    H    CYS  43           HN       CYS  43  -9.312   0.017  -0.864
  305    HA   CYS  43           HA       CYS  43  -9.911  -1.323   1.685
  306    HB2  CYS  43           HB2      CYS  43  -8.365   0.642   1.590
  307    HB3  CYS  43           HB1      CYS  43  -9.728   1.647   1.087
  308    H    HIS  44           HN       HIS  44 -11.533   1.156  -0.329
  309    HA   HIS  44           HA       HIS  44 -13.964   1.043   1.231
  310    HB2  HIS  44           HB2      HIS  44 -13.269   2.980  -0.232
  311    HB3  HIS  44           HB1      HIS  44 -13.664   1.983  -1.633
  312    HD2  HIS  44           HD2      HIS  44 -16.518   1.118  -1.613
  313    HE1  HIS  44           HE1      HIS  44 -17.704   4.412   0.752
  314    HE2  HIS  44           HE2      HIS  44 -18.524   2.520  -0.736
  315    H    SER  45           HN       SER  45 -12.694  -0.784  -1.470
  316    HA   SER  45           HA       SER  45 -15.155  -2.491  -1.386
  317    HB2  SER  45           HB2      SER  45 -14.624  -2.697  -4.005
  318    HB3  SER  45           HB1      SER  45 -15.660  -1.421  -3.378
  319    HG   SER  45           HG       SER  45 -14.210  -0.306  -4.502
  320    H    ILE  46           HN       ILE  46 -14.756  -4.664  -2.275
  321    HA   ILE  46           HA       ILE  46 -12.133  -5.668  -1.432
  322    HB   ILE  46           HB       ILE  46 -14.346  -7.275  -2.720
  323   HG12  ILE  46          HG12      ILE  46 -15.431  -5.914  -1.010
  324   HG13  ILE  46          HG11      ILE  46 -15.286  -7.571  -0.430
  325   HG21  ILE  46          HG21      ILE  46 -12.177  -8.379  -2.233
  326   HG22  ILE  46          HG22      ILE  46 -13.499  -9.035  -1.271
  327   HG23  ILE  46          HG23      ILE  46 -12.344  -7.922  -0.537
  328   HD11  ILE  46          HD11      ILE  46 -13.581  -5.194   0.335
  329   HD12  ILE  46          HD12      ILE  46 -13.131  -6.851   0.731
  330   HD13  ILE  46          HD13      ILE  46 -14.613  -6.161   1.384
  331    H    CYS  47           HN       CYS  47 -10.581  -5.111  -2.992
  332    HA   CYS  47           HA       CYS  47 -11.189  -5.608  -5.855
  333    HB2  CYS  47           HB2      CYS  47  -9.222  -4.388  -6.348
  334    HB3  CYS  47           HB1      CYS  47  -9.918  -3.544  -4.968
  335    H    SER  48           HN       SER  48  -9.662  -6.903  -7.149
  336    HA   SER  48           HA       SER  48  -8.781  -9.308  -5.647
  337    HB2  SER  48           HB2      SER  48  -8.484  -9.150  -8.619
  338    HB3  SER  48           HB1      SER  48  -9.047 -10.484  -7.618
  339    HG   SER  48           HG       SER  48 -10.467  -8.085  -8.177
  340    H    LEU  49           HN       LEU  49  -6.618 -10.237  -6.379
  341    HA   LEU  49           HA       LEU  49  -4.512  -8.403  -5.864
  342    HB2  LEU  49           HB2      LEU  49  -4.264 -11.000  -7.401
  343    HB3  LEU  49           HB1      LEU  49  -3.014 -10.204  -6.452
  344    HG   LEU  49           HG       LEU  49  -5.504 -11.603  -5.452
  345   HD11  LEU  49          HD11      LEU  49  -3.909 -12.900  -4.149
  346   HD12  LEU  49          HD12      LEU  49  -2.583 -11.861  -4.672
  347   HD13  LEU  49          HD13      LEU  49  -3.392 -12.912  -5.836
  348   HD21  LEU  49          HD21      LEU  49  -5.469  -9.628  -4.111
  349   HD22  LEU  49          HD22      LEU  49  -3.709  -9.629  -4.049
  350   HD23  LEU  49          HD23      LEU  49  -4.622 -10.847  -3.159
  351    H    TYR  50           HN       TYR  50  -6.037  -9.497  -8.794
  352    HA   TYR  50           HA       TYR  50  -4.346  -8.791 -10.825
  353    HB2  TYR  50           HB2      TYR  50  -6.838  -9.609 -10.758
  354    HB3  TYR  50           HB1      TYR  50  -7.225  -7.893 -10.884
  355    HD1  TYR  50           HD2      TYR  50  -5.481 -10.701 -12.437
  356    HD2  TYR  50           HD1      TYR  50  -6.877  -6.696 -12.909
  357    HE1  TYR  50           HE2      TYR  50  -5.023 -10.846 -14.884
  358    HE2  TYR  50           HE1      TYR  50  -6.428  -6.808 -15.355
  359    HH   TYR  50           HH       TYR  50  -6.026  -8.287 -17.083
  360    H    GLN  51           HN       GLN  51  -6.686  -6.584  -9.326
  361    HA   GLN  51           HA       GLN  51  -5.717  -4.239 -10.643
  362    HB2  GLN  51           HB2      GLN  51  -6.958  -4.234  -7.882
  363    HB3  GLN  51           HB1      GLN  51  -7.048  -2.995  -9.129
  364    HG2  GLN  51           HG2      GLN  51  -8.189  -4.819 -10.587
  365    HG3  GLN  51           HG1      GLN  51  -8.439  -5.665  -9.061
  366   HE21  GLN  51          HE21      GLN  51 -10.495  -4.400 -10.830
  367   HE22  GLN  51          HE22      GLN  51 -11.295  -3.256  -9.865
  368    H    LEU  52           HN       LEU  52  -4.892  -5.695  -7.507
  369    HA   LEU  52           HA       LEU  52  -3.086  -3.649  -6.704
  370    HB2  LEU  52           HB2      LEU  52  -3.044  -6.609  -6.103
  371    HB3  LEU  52           HB1      LEU  52  -2.072  -5.404  -5.266
  372    HG   LEU  52           HG       LEU  52  -5.105  -5.486  -5.351
  373   HD11  LEU  52          HD11      LEU  52  -4.929  -6.046  -3.009
  374   HD12  LEU  52          HD12      LEU  52  -3.174  -5.876  -3.055
  375   HD13  LEU  52          HD13      LEU  52  -3.961  -7.188  -3.939
  376   HD21  LEU  52          HD21      LEU  52  -4.726  -3.210  -5.088
  377   HD22  LEU  52          HD22      LEU  52  -3.129  -3.455  -4.399
  378   HD23  LEU  52          HD23      LEU  52  -4.562  -3.705  -3.403
  379    H    GLU  53           HN       GLU  53  -2.840  -6.356  -8.855
  380    HA   GLU  53           HA       GLU  53   0.019  -6.249  -9.187
  381    HB2  GLU  53           HB2      GLU  53  -2.075  -7.955  -9.979
  382    HB3  GLU  53           HB1      GLU  53  -1.490  -7.292 -11.503
  383    HG2  GLU  53           HG2      GLU  53   0.892  -7.922 -10.476
  384    HG3  GLU  53           HG1      GLU  53  -0.067  -9.034  -9.503
  385    H    ASN  54           HN       ASN  54  -2.470  -4.212 -10.059
  386    HA   ASN  54           HA       ASN  54  -1.435  -3.273 -12.608
  387    HB2  ASN  54           HB2      ASN  54  -3.860  -3.117 -11.612
  388    HB3  ASN  54           HB1      ASN  54  -3.261  -1.664 -10.814
  389   HD21  ASN  54          HD21      ASN  54  -5.281  -1.851 -13.002
  390   HD22  ASN  54          HD22      ASN  54  -4.664  -0.927 -14.282
  391    H    TYR  55           HN       TYR  55  -0.932  -2.485  -9.235
  392    HA   TYR  55           HA       TYR  55   0.662  -0.070  -9.982
  393    HB2  TYR  55           HB2      TYR  55   0.010  -1.002  -7.185
  394    HB3  TYR  55           HB1      TYR  55   0.434   0.617  -7.728
  395    HD1  TYR  55           HD2      TYR  55  -2.168  -1.969  -7.763
  396    HD2  TYR  55           HD1      TYR  55  -1.199   2.084  -8.690
  397    HE1  TYR  55           HE2      TYR  55  -4.591  -1.490  -8.123
  398    HE2  TYR  55           HE1      TYR  55  -3.604   2.583  -9.062
  399    HH   TYR  55           HH       TYR  55  -5.877   0.363  -9.600
  400    H    CYS  56           HN       CYS  56   1.251  -3.271  -9.789
  401    HA   CYS  56           HA       CYS  56   3.599  -3.230  -8.049
  402    HB2  CYS  56           HB2      CYS  56   2.518  -5.249 -10.023
  403    HB3  CYS  56           HB1      CYS  56   4.019  -5.494  -9.139
  404    H    ASN  57           HN       ASN  57   5.200  -1.863  -8.755
  405    HA   ASN  57           HA       ASN  57   6.799  -0.910 -10.190
  406    HB2  ASN  57           HB2      ASN  57   7.686  -3.213  -9.949
  407    HB3  ASN  57           HB1      ASN  57   6.725  -3.715 -11.339
  408   HD21  ASN  57          HD21      ASN  57   9.699  -3.699 -11.137
  409   HD22  ASN  57          HD22      ASN  57  10.246  -2.671 -12.373
  Start of MODEL    9
    1    H1   PHE   1           HT1      PHE   1  -4.849 -13.187   2.952
    2    H2   PHE   1           HT2      PHE   1  -6.512 -12.844   2.902
    3    H3   PHE   1           HT3      PHE   1  -5.458 -11.828   3.764
    4    HA   PHE   1           HA       PHE   1  -5.601 -10.580   1.919
    5    HB2  PHE   1           HB2      PHE   1  -3.270 -11.642   2.149
    6    HB3  PHE   1           HB1      PHE   1  -3.714 -12.677   0.803
    7    HD1  PHE   1           HD2      PHE   1  -5.406  -9.831  -0.124
    8    HD2  PHE   1           HD1      PHE   1  -1.386 -11.169   0.513
    9    HE1  PHE   1           HE2      PHE   1  -4.590  -8.122  -1.652
   10    HE2  PHE   1           HE1      PHE   1  -0.570  -9.437  -1.023
   11    HZ   PHE   1           HZ       PHE   1  -2.161  -7.905  -2.111
   12    H    VAL   2           HN       VAL   2  -7.633 -12.713   1.890
   13    HA   VAL   2           HA       VAL   2  -7.799 -13.428  -1.005
   14    HB   VAL   2           HB       VAL   2  -9.784 -14.844   0.014
   15   HG11  VAL   2          HG11      VAL   2  -6.883 -15.483   0.626
   16   HG12  VAL   2          HG12      VAL   2  -7.693 -15.785  -0.911
   17   HG13  VAL   2          HG13      VAL   2  -8.199 -16.653   0.538
   18   HG21  VAL   2          HG21      VAL   2  -8.060 -14.645   2.486
   19   HG22  VAL   2          HG22      VAL   2  -9.707 -15.256   2.330
   20   HG23  VAL   2          HG23      VAL   2  -9.400 -13.523   2.257
   21    H    ASN   3           HN       ASN   3 -10.602 -13.211   1.059
   22    HA   ASN   3           HA       ASN   3 -11.756 -11.159  -0.763
   23    HB2  ASN   3           HB2      ASN   3 -13.213 -12.784   1.331
   24    HB3  ASN   3           HB1      ASN   3 -13.905 -11.920  -0.039
   25   HD21  ASN   3          HD21      ASN   3 -14.295 -13.174  -1.851
   26   HD22  ASN   3          HD22      ASN   3 -13.554 -14.664  -2.190
   27    H    GLN   4           HN       GLN   4  -9.867 -10.618   1.514
   28    HA   GLN   4           HA       GLN   4 -11.611  -9.098   3.380
   29    HB2  GLN   4           HB2      GLN   4  -9.156  -8.629   4.358
   30    HB3  GLN   4           HB1      GLN   4 -10.014 -10.129   4.689
   31    HG2  GLN   4           HG2      GLN   4  -8.847 -11.248   2.846
   32    HG3  GLN   4           HG1      GLN   4  -8.022  -9.742   2.436
   33   HE21  GLN   4          HE21      GLN   4  -7.797 -12.582   4.300
   34   HE22  GLN   4          HE22      GLN   4  -6.516 -12.111   5.306
   35    H    HIS   5           HN       HIS   5 -11.064  -6.843   3.837
   36    HA   HIS   5           HA       HIS   5 -10.401  -5.384   1.341
   37    HB2  HIS   5           HB2      HIS   5 -11.205  -3.408   2.855
   38    HB3  HIS   5           HB1      HIS   5 -12.396  -4.562   2.265
   39    HD2  HIS   5           HD2      HIS   5 -10.732  -3.508   5.651
   40    HE1  HIS   5           HE1      HIS   5 -13.593  -6.501   6.490
   41    HE2  HIS   5           HE2      HIS   5 -12.008  -4.797   7.514
   42    H    LEU   6           HN       LEU   6  -8.601  -4.129   1.127
   43    HA   LEU   6           HA       LEU   6  -6.607  -4.151   3.341
   44    HB2  LEU   6           HB2      LEU   6  -6.501  -3.828   0.355
   45    HB3  LEU   6           HB1      LEU   6  -5.252  -3.055   1.302
   46    HG   LEU   6           HG       LEU   6  -4.304  -5.063   1.984
   47   HD11  LEU   6          HD11      LEU   6  -5.689  -7.288   1.699
   48   HD12  LEU   6          HD12      LEU   6  -7.066  -6.198   1.790
   49   HD13  LEU   6          HD13      LEU   6  -5.914  -6.278   3.121
   50   HD21  LEU   6          HD21      LEU   6  -4.381  -6.639   0.051
   51   HD22  LEU   6          HD22      LEU   6  -4.063  -4.986  -0.426
   52   HD23  LEU   6          HD23      LEU   6  -5.666  -5.688  -0.652
   53    H    CYS   7           HN       CYS   7  -6.199  -2.316   4.479
   54    HA   CYS   7           HA       CYS   7  -6.854   0.326   3.279
   55    HB2  CYS   7           HB2      CYS   7  -7.886  -0.620   5.973
   56    HB3  CYS   7           HB1      CYS   7  -8.035   1.022   5.344
   57    H    GLY   8           HN       GLY   8  -5.156   1.647   3.623
   58    HA2  GLY   8           HA2      GLY   8  -3.308   2.645   4.689
   59    HA3  GLY   8           HA1      GLY   8  -3.789   1.817   6.169
   60    H    SER   9           HN       SER   9  -1.623   1.216   6.651
   61    HA   SER   9           HA       SER   9   0.331   0.075   5.062
   62    HB2  SER   9           HB2      SER   9  -0.426  -0.934   7.819
   63    HB3  SER   9           HB1      SER   9   1.149  -1.082   7.044
   64    HG   SER   9           HG       SER   9   1.491   0.760   8.016
   65    H    ASP  10           HN       ASP  10  -2.658  -1.478   6.129
   66    HA   ASP  10           HA       ASP  10  -2.080  -4.175   5.683
   67    HB2  ASP  10           HB2      ASP  10  -4.552  -2.524   5.159
   68    HB3  ASP  10           HB1      ASP  10  -4.528  -4.246   4.783
   69    H    LEU  11           HN       LEU  11  -3.128  -1.775   3.252
   70    HA   LEU  11           HA       LEU  11  -3.005  -3.458   1.001
   71    HB2  LEU  11           HB2      LEU  11  -3.943  -1.222   0.792
   72    HB3  LEU  11           HB1      LEU  11  -2.410  -0.492   1.253
   73    HG   LEU  11           HG       LEU  11  -1.361  -1.230  -0.795
   74   HD11  LEU  11          HD11      LEU  11  -2.781  -2.439  -2.496
   75   HD12  LEU  11          HD12      LEU  11  -3.919  -2.773  -1.198
   76   HD13  LEU  11          HD13      LEU  11  -2.273  -3.402  -1.122
   77   HD21  LEU  11          HD21      LEU  11  -4.140  -0.181  -1.404
   78   HD22  LEU  11          HD22      LEU  11  -2.752  -0.110  -2.489
   79   HD23  LEU  11          HD23      LEU  11  -2.742   0.810  -0.985
   80    H    VAL  12           HN       VAL  12  -0.448  -1.278   2.227
   81    HA   VAL  12           HA       VAL  12   1.614  -1.901   0.476
   82    HB   VAL  12           HB       VAL  12   1.998  -1.680   3.472
   83   HG11  VAL  12          HG11      VAL  12   3.935  -2.255   1.841
   84   HG12  VAL  12          HG12      VAL  12   4.172  -0.917   2.960
   85   HG13  VAL  12          HG13      VAL  12   3.762  -0.594   1.277
   86   HG21  VAL  12          HG21      VAL  12   2.126   0.775   3.057
   87   HG22  VAL  12          HG22      VAL  12   0.521   0.128   2.723
   88   HG23  VAL  12          HG23      VAL  12   1.617   0.496   1.394
   89    H    GLU  13           HN       GLU  13   1.315  -3.540   3.654
   90    HA   GLU  13           HA       GLU  13   3.119  -5.616   3.191
   91    HB2  GLU  13           HB2      GLU  13   0.460  -5.843   4.636
   92    HB3  GLU  13           HB1      GLU  13   1.830  -6.938   4.821
   93    HG2  GLU  13           HG2      GLU  13   3.210  -4.918   5.507
   94    HG3  GLU  13           HG1      GLU  13   1.699  -4.010   5.574
   95    H    ALA  14           HN       ALA  14  -0.093  -5.200   1.873
   96    HA   ALA  14           HA       ALA  14  -0.243  -7.944   0.868
   97    HB1  ALA  14           HB1      ALA  14  -2.036  -5.704   1.143
   98    HB2  ALA  14           HB2      ALA  14  -2.427  -7.384   0.804
   99    HB3  ALA  14           HB3      ALA  14  -2.097  -6.267  -0.524
  100    H    LEU  15           HN       LEU  15   0.143  -4.720  -0.738
  101    HA   LEU  15           HA       LEU  15   0.619  -5.724  -3.314
  102    HB2  LEU  15           HB2      LEU  15   1.799  -3.330  -1.906
  103    HB3  LEU  15           HB1      LEU  15   2.204  -3.710  -3.577
  104    HG   LEU  15           HG       LEU  15  -0.702  -3.544  -2.779
  105   HD11  LEU  15          HD11      LEU  15   0.879  -1.139  -3.724
  106   HD12  LEU  15          HD12      LEU  15   0.573  -1.432  -2.016
  107   HD13  LEU  15          HD13      LEU  15  -0.775  -1.184  -3.121
  108   HD21  LEU  15          HD21      LEU  15  -0.988  -2.939  -5.108
  109   HD22  LEU  15          HD22      LEU  15   0.045  -4.363  -5.048
  110   HD23  LEU  15          HD23      LEU  15   0.751  -2.775  -5.325
  111    H    TYR  16           HN       TYR  16   2.772  -5.557  -0.525
  112    HA   TYR  16           HA       TYR  16   5.241  -6.099  -1.704
  113    HB2  TYR  16           HB2      TYR  16   5.018  -5.696   0.679
  114    HB3  TYR  16           HB1      TYR  16   4.134  -7.205   0.881
  115    HD1  TYR  16           HD2      TYR  16   7.341  -6.017  -0.688
  116    HD2  TYR  16           HD1      TYR  16   5.368  -9.026   1.647
  117    HE1  TYR  16           HE2      TYR  16   9.489  -7.232  -0.440
  118    HE2  TYR  16           HE1      TYR  16   7.514 -10.245   1.898
  119    HH   TYR  16           HH       TYR  16  10.513  -8.996   0.418
  120    H    LEU  17           HN       LEU  17   2.797  -8.579  -0.757
  121    HA   LEU  17           HA       LEU  17   4.379 -10.751  -1.836
  122    HB2  LEU  17           HB2      LEU  17   1.368 -10.621  -1.482
  123    HB3  LEU  17           HB1      LEU  17   2.314 -12.069  -1.751
  124    HG   LEU  17           HG       LEU  17   3.586 -11.515   0.379
  125   HD11  LEU  17          HD11      LEU  17   1.953 -10.092   1.938
  126   HD12  LEU  17          HD12      LEU  17   1.493  -9.362   0.406
  127   HD13  LEU  17          HD13      LEU  17   3.165  -9.307   0.938
  128   HD21  LEU  17          HD21      LEU  17   0.653 -12.243   0.299
  129   HD22  LEU  17          HD22      LEU  17   1.537 -12.230   1.823
  130   HD23  LEU  17          HD23      LEU  17   2.044 -13.301   0.518
  131    H    VAL  18           HN       VAL  18   1.550  -8.972  -3.050
  132    HA   VAL  18           HA       VAL  18   1.244 -10.187  -5.547
  133    HB   VAL  18           HB       VAL  18   1.022  -7.222  -4.979
  134   HG11  VAL  18          HG11      VAL  18   0.880  -8.001  -7.377
  135   HG12  VAL  18          HG12      VAL  18  -0.530  -7.149  -6.772
  136   HG13  VAL  18          HG13      VAL  18  -0.559  -8.902  -6.913
  137   HG21  VAL  18          HG21      VAL  18  -0.219  -8.623  -3.333
  138   HG22  VAL  18          HG22      VAL  18  -1.064  -9.395  -4.674
  139   HG23  VAL  18          HG23      VAL  18  -1.295  -7.676  -4.359
  140    H    CYS  19           HN       CYS  19   3.142  -7.231  -4.938
  141    HA   CYS  19           HA       CYS  19   4.424  -7.383  -7.538
  142    HB2  CYS  19           HB2      CYS  19   5.408  -5.733  -5.217
  143    HB3  CYS  19           HB1      CYS  19   5.463  -5.363  -6.935
  144    H    GLY  20           HN       GLY  20   5.106  -8.582  -4.366
  145    HA2  GLY  20           HA2      GLY  20   6.917  -9.819  -3.525
  146    HA3  GLY  20           HA1      GLY  20   7.103 -10.382  -5.182
  147    H    GLU  21           HN       GLU  21   9.222 -10.155  -5.695
  148    HA   GLU  21           HA       GLU  21  10.883  -8.060  -4.544
  149    HB2  GLU  21           HB2      GLU  21  11.378 -10.082  -6.746
  150    HB3  GLU  21           HB1      GLU  21  12.608  -8.978  -6.131
  151    HG2  GLU  21           HG2      GLU  21  12.124  -9.906  -3.816
  152    HG3  GLU  21           HG1      GLU  21  11.146 -11.144  -4.604
  153    H    ARG  22           HN       ARG  22   8.771  -8.203  -7.222
  154    HA   ARG  22           HA       ARG  22  10.096  -6.592  -9.125
  155    HB2  ARG  22           HB2      ARG  22   7.145  -6.484  -8.438
  156    HB3  ARG  22           HB1      ARG  22   7.886  -6.019  -9.967
  157    HG2  ARG  22           HG2      ARG  22   8.485  -8.280 -10.476
  158    HG3  ARG  22           HG1      ARG  22   8.149  -8.815  -8.839
  159    HD2  ARG  22           HD2      ARG  22   5.962  -9.184  -9.332
  160    HD3  ARG  22           HD1      ARG  22   5.767  -7.565  -9.979
  161    HE   ARG  22           HE       ARG  22   5.906  -9.973 -11.497
  162   HH11  ARG  22          HH21      ARG  22   7.353  -6.840 -11.450
  163   HH12  ARG  22          HH22      ARG  22   7.773  -6.873 -13.129
  164   HH21  ARG  22          HH11      ARG  22   6.440 -10.023 -13.675
  165   HH22  ARG  22          HH12      ARG  22   7.255  -8.671 -14.387
  166    H    GLY  23           HN       GLY  23   8.616  -5.752  -6.064
  167    HA2  GLY  23           HA2      GLY  23   8.829  -3.739  -4.854
  168    HA3  GLY  23           HA1      GLY  23   9.832  -3.103  -6.162
  169    H    PHE  24           HN       PHE  24   7.650  -1.668  -4.857
  170    HA   PHE  24           HA       PHE  24   6.153  -0.951  -7.276
  171    HB2  PHE  24           HB2      PHE  24   3.961  -1.342  -6.333
  172    HB3  PHE  24           HB1      PHE  24   4.877  -2.844  -6.251
  173    HD1  PHE  24           HD1      PHE  24   5.719  -3.703  -4.120
  174    HD2  PHE  24           HD2      PHE  24   3.456  -0.054  -4.300
  175    HE1  PHE  24           HE1      PHE  24   5.391  -3.781  -1.666
  176    HE2  PHE  24           HE2      PHE  24   3.123  -0.148  -1.845
  177    HZ   PHE  24           HZ       PHE  24   4.090  -2.008  -0.532
  178    H    PHE  25           HN       PHE  25   4.572   0.857  -6.691
  179    HA   PHE  25           HA       PHE  25   5.826   2.666  -4.653
  180    HB2  PHE  25           HB2      PHE  25   4.972   4.520  -6.108
  181    HB3  PHE  25           HB1      PHE  25   6.163   3.504  -6.921
  182    HD1  PHE  25           HD1      PHE  25   2.509   4.154  -6.565
  183    HD2  PHE  25           HD2      PHE  25   5.591   2.214  -8.846
  184    HE1  PHE  25           HE1      PHE  25   0.854   3.618  -8.341
  185    HE2  PHE  25           HE2      PHE  25   3.942   1.684 -10.621
  186    HZ   PHE  25           HZ       PHE  25   1.578   2.384 -10.368
  187    H    TYR  26           HN       TYR  26   4.458   3.617  -3.163
  188    HA   TYR  26           HA       TYR  26   1.732   2.562  -3.007
  189    HB2  TYR  26           HB2      TYR  26   3.352   3.150  -1.021
  190    HB3  TYR  26           HB1      TYR  26   2.767   4.798  -1.254
  191    HD1  TYR  26           HD1      TYR  26   1.450   1.288  -0.995
  192    HD2  TYR  26           HD2      TYR  26   0.809   5.446  -0.116
  193    HE1  TYR  26           HE1      TYR  26  -0.628   0.726   0.236
  194    HE2  TYR  26           HE2      TYR  26  -1.259   4.870   1.119
  195    HH   TYR  26           HH       TYR  26  -2.060   1.635   1.946
  196    H    THR  27           HN       THR  27  -0.075   4.294  -2.579
  197    HA   THR  27           HA       THR  27  -0.292   5.849  -4.964
  198    HB   THR  27           HB       THR  27  -2.247   5.012  -3.731
  199    HG1  THR  27           HG1      THR  27  -3.433   6.844  -4.053
  200   HG21  THR  27          HG21      THR  27  -2.976   6.156  -1.675
  201   HG22  THR  27          HG22      THR  27  -1.504   7.123  -1.683
  202   HG23  THR  27          HG23      THR  27  -1.416   5.383  -1.448
  203    H    ASP  28           HN       ASP  28  -0.912   8.305  -4.755
  204    HA   ASP  28           HA       ASP  28   1.363   9.768  -4.337
  205    HB2  ASP  28           HB2      ASP  28  -1.318  10.340  -4.976
  206    HB3  ASP  28           HB1      ASP  28  -0.959  11.404  -3.621
  207    HA   PRO  29           HA       PRO  29   1.810  10.101   0.115
  208    HB2  PRO  29           HB2      PRO  29   3.378  12.374   0.256
  209    HB3  PRO  29           HB1      PRO  29   3.999  10.791  -0.236
  210    HG2  PRO  29           HG2      PRO  29   3.371  13.175  -1.924
  211    HG3  PRO  29           HG1      PRO  29   4.567  11.899  -2.190
  212    HD2  PRO  29           HD2      PRO  29   2.064  12.074  -3.479
  213    HD3  PRO  29           HD1      PRO  29   3.100  10.631  -3.398
  214    H    THR  30           HN       THR  30   0.131  12.392  -1.756
  215    HA   THR  30           HA       THR  30  -0.252  14.585  -0.059
  216    HB   THR  30           HB       THR  30  -2.303  15.005  -1.275
  217    HG1  THR  30           HG1      THR  30  -3.173  13.347  -2.575
  218   HG21  THR  30          HG21      THR  30  -0.290  13.578  -3.039
  219   HG22  THR  30          HG22      THR  30  -0.161  15.251  -2.496
  220   HG23  THR  30          HG23      THR  30  -1.471  14.773  -3.575
  221    H    GLY  31           HN       GLY  31  -1.995  11.477   0.026
  222    HA2  GLY  31           HA2      GLY  31  -3.221  10.529   1.799
  223    HA3  GLY  31           HA1      GLY  31  -2.497  11.743   2.847
  224    H    GLY  32           HN       GLY  32  -3.683  13.781   0.757
  225    HA2  GLY  32           HA2      GLY  32  -6.298  14.016   2.165
  226    HA3  GLY  32           HA1      GLY  32  -5.499  15.303   1.258
  227    H    GLY  33           HN       GLY  33  -4.937  13.088  -0.816
  228    HA2  GLY  33           HA2      GLY  33  -7.433  12.233  -1.911
  229    HA3  GLY  33           HA1      GLY  33  -6.940  13.739  -2.693
  230    HA   PRO  34           HA       PRO  34  -3.240  10.859  -3.623
  231    HB2  PRO  34           HB2      PRO  34  -3.350   8.299  -2.522
  232    HB3  PRO  34           HB1      PRO  34  -2.495   9.659  -1.793
  233    HG2  PRO  34           HG2      PRO  34  -5.116   8.448  -1.046
  234    HG3  PRO  34           HG1      PRO  34  -3.933   9.277  -0.019
  235    HD2  PRO  34           HD2      PRO  34  -6.315  10.425  -0.926
  236    HD3  PRO  34           HD1      PRO  34  -4.887  11.334  -0.386
  237    H    ARG  35           HN       ARG  35  -3.037   8.507  -4.776
  238    HA   ARG  35           HA       ARG  35  -4.985   8.392  -6.834
  239    HB2  ARG  35           HB2      ARG  35  -2.577   7.336  -6.641
  240    HB3  ARG  35           HB1      ARG  35  -3.429   5.948  -5.975
  241    HG2  ARG  35           HG2      ARG  35  -4.847   5.847  -7.988
  242    HG3  ARG  35           HG1      ARG  35  -3.983   7.224  -8.669
  243    HD2  ARG  35           HD2      ARG  35  -1.890   5.544  -8.032
  244    HD3  ARG  35           HD1      ARG  35  -3.134   4.381  -8.477
  245    HE   ARG  35           HE       ARG  35  -1.604   5.844 -10.316
  246   HH11  ARG  35          HH21      ARG  35  -4.957   5.388  -9.613
  247   HH12  ARG  35          HH22      ARG  35  -5.478   5.866 -11.190
  248   HH21  ARG  35          HH11      ARG  35  -2.277   6.449 -12.368
  249   HH22  ARG  35          HH12      ARG  35  -3.966   6.457 -12.748
  250    H    ARG  36           HN       ARG  36  -7.046   8.407  -5.681
  251    HA   ARG  36           HA       ARG  36  -7.800   6.474  -3.728
  252    HB2  ARG  36           HB2      ARG  36  -9.695   7.620  -5.794
  253    HB3  ARG  36           HB1      ARG  36 -10.054   7.146  -4.135
  254    HG2  ARG  36           HG2      ARG  36  -8.571   8.956  -3.314
  255    HG3  ARG  36           HG1      ARG  36  -8.288   9.456  -4.977
  256    HD2  ARG  36           HD2      ARG  36 -10.906   9.479  -3.471
  257    HD3  ARG  36           HD1      ARG  36 -10.032  10.875  -4.089
  258    HE   ARG  36           HE       ARG  36 -11.953   9.276  -5.515
  259   HH11  ARG  36          HH21      ARG  36  -8.876  10.785  -5.956
  260   HH12  ARG  36          HH22      ARG  36  -8.958  10.718  -7.684
  261   HH21  ARG  36          HH11      ARG  36 -12.070   9.206  -7.752
  262   HH22  ARG  36          HH12      ARG  36 -10.761   9.832  -8.697
  263    H    GLY  37           HN       GLY  37  -6.920   6.077  -6.907
  264    HA2  GLY  37           HA2      GLY  37  -8.728   4.011  -7.753
  265    HA3  GLY  37           HA1      GLY  37  -7.133   4.312  -8.437
  266    H    ILE  38           HN       ILE  38  -5.896   3.979  -5.660
  267    HA   ILE  38           HA       ILE  38  -5.899   1.001  -5.730
  268    HB   ILE  38           HB       ILE  38  -3.785   2.729  -5.848
  269   HG12  ILE  38          HG12      ILE  38  -3.379   0.511  -6.453
  270   HG13  ILE  38          HG11      ILE  38  -2.372   0.699  -5.037
  271   HG21  ILE  38          HG21      ILE  38  -3.895   1.860  -2.943
  272   HG22  ILE  38          HG22      ILE  38  -4.010   3.510  -3.546
  273   HG23  ILE  38          HG23      ILE  38  -2.519   2.606  -3.746
  274   HD11  ILE  38          HD11      ILE  38  -4.801  -0.974  -5.433
  275   HD12  ILE  38          HD12      ILE  38  -4.651  -0.195  -3.859
  276   HD13  ILE  38          HD13      ILE  38  -3.383  -1.259  -4.435
  277    H    VAL  39           HN       VAL  39  -5.734   3.579  -3.232
  278    HA   VAL  39           HA       VAL  39  -6.224   1.818  -1.065
  279    HB   VAL  39           HB       VAL  39  -7.092   4.708  -1.079
  280   HG11  VAL  39          HG11      VAL  39  -7.556   3.287   0.914
  281   HG12  VAL  39          HG12      VAL  39  -6.415   4.584   1.268
  282   HG13  VAL  39          HG13      VAL  39  -5.832   2.936   1.037
  283   HG21  VAL  39          HG21      VAL  39  -4.942   4.944  -1.992
  284   HG22  VAL  39          HG22      VAL  39  -4.315   3.521  -1.158
  285   HG23  VAL  39          HG23      VAL  39  -4.604   5.015  -0.265
  286    H    GLU  40           HN       GLU  40  -8.628   4.153  -2.385
  287    HA   GLU  40           HA       GLU  40 -10.821   3.057  -0.986
  288    HB2  GLU  40           HB2      GLU  40 -10.783   4.399  -3.700
  289    HB3  GLU  40           HB1      GLU  40 -12.239   4.090  -2.758
  290    HG2  GLU  40           HG2      GLU  40 -11.099   5.378  -0.855
  291    HG3  GLU  40           HG1      GLU  40  -9.927   5.909  -2.063
  292    H    GLN  41           HN       GLN  41  -9.697   2.253  -4.286
  293    HA   GLN  41           HA       GLN  41 -11.643   0.428  -5.044
  294    HB2  GLN  41           HB2      GLN  41  -9.564   1.105  -6.338
  295    HB3  GLN  41           HB1      GLN  41  -8.687  -0.126  -5.426
  296    HG2  GLN  41           HG2      GLN  41 -10.283  -1.838  -6.231
  297    HG3  GLN  41           HG1      GLN  41 -11.133  -0.605  -7.158
  298   HE21  GLN  41          HE21      GLN  41 -10.621  -1.020  -9.289
  299   HE22  GLN  41          HE22      GLN  41  -9.048  -1.231  -9.873
  300    H    CYS  42           HN       CYS  42  -8.670  -0.489  -3.260
  301    HA   CYS  42           HA       CYS  42  -9.844  -3.104  -2.630
  302    HB2  CYS  42           HB2      CYS  42  -7.238  -1.870  -1.707
  303    HB3  CYS  42           HB1      CYS  42  -7.700  -3.567  -1.582
  304    H    CYS  43           HN       CYS  43  -9.402  -0.032  -0.972
  305    HA   CYS  43           HA       CYS  43  -9.996  -1.214   1.654
  306    HB2  CYS  43           HB2      CYS  43  -8.498   0.789   1.412
  307    HB3  CYS  43           HB1      CYS  43  -9.902   1.717   0.877
  308    H    HIS  44           HN       HIS  44 -11.643   1.076  -0.549
  309    HA   HIS  44           HA       HIS  44 -14.105   1.028   0.962
  310    HB2  HIS  44           HB2      HIS  44 -13.345   2.808  -0.730
  311    HB3  HIS  44           HB1      HIS  44 -13.858   1.679  -1.983
  312    HD2  HIS  44           HD2      HIS  44 -16.708   1.156  -2.011
  313    HE1  HIS  44           HE1      HIS  44 -17.675   4.384   0.537
  314    HE2  HIS  44           HE2      HIS  44 -18.619   2.631  -1.044
  315    H    SER  45           HN       SER  45 -12.731  -0.954  -1.578
  316    HA   SER  45           HA       SER  45 -15.104  -2.769  -1.371
  317    HB2  SER  45           HB2      SER  45 -13.735  -2.229  -4.008
  318    HB3  SER  45           HB1      SER  45 -15.271  -3.039  -3.720
  319    HG   SER  45           HG       SER  45 -16.199  -1.117  -3.247
  320    H    ILE  46           HN       ILE  46 -14.574  -4.997  -2.047
  321    HA   ILE  46           HA       ILE  46 -11.883  -5.737  -1.155
  322    HB   ILE  46           HB       ILE  46 -13.959  -7.633  -2.272
  323   HG12  ILE  46          HG12      ILE  46 -15.003  -6.051  -0.539
  324   HG13  ILE  46          HG11      ILE  46 -15.097  -7.765  -0.183
  325   HG21  ILE  46          HG21      ILE  46 -12.956  -9.121  -0.529
  326   HG22  ILE  46          HG22      ILE  46 -11.774  -7.858  -0.187
  327   HG23  ILE  46          HG23      ILE  46 -11.820  -8.618  -1.776
  328   HD11  ILE  46          HD11      ILE  46 -14.201  -5.892   1.587
  329   HD12  ILE  46          HD12      ILE  46 -12.677  -6.429   0.887
  330   HD13  ILE  46          HD13      ILE  46 -13.757  -7.595   1.645
  331    H    CYS  47           HN       CYS  47 -10.375  -5.235  -2.766
  332    HA   CYS  47           HA       CYS  47 -10.958  -6.011  -5.570
  333    HB2  CYS  47           HB2      CYS  47  -9.077  -4.720  -6.182
  334    HB3  CYS  47           HB1      CYS  47  -9.787  -3.818  -4.848
  335    H    SER  48           HN       SER  48  -9.597  -7.493  -6.729
  336    HA   SER  48           HA       SER  48  -8.509  -9.638  -5.018
  337    HB2  SER  48           HB2      SER  48  -8.281  -9.807  -7.993
  338    HB3  SER  48           HB1      SER  48  -8.797 -11.029  -6.836
  339    HG   SER  48           HG       SER  48 -10.488 -10.146  -8.197
  340    H    LEU  49           HN       LEU  49  -6.335 -10.581  -5.711
  341    HA   LEU  49           HA       LEU  49  -4.273  -8.664  -5.426
  342    HB2  LEU  49           HB2      LEU  49  -3.974 -11.356  -6.780
  343    HB3  LEU  49           HB1      LEU  49  -2.731 -10.453  -5.920
  344    HG   LEU  49           HG       LEU  49  -5.142 -11.869  -4.766
  345   HD11  LEU  49          HD11      LEU  49  -3.034 -13.155  -5.069
  346   HD12  LEU  49          HD12      LEU  49  -3.431 -12.946  -3.363
  347   HD13  LEU  49          HD13      LEU  49  -2.180 -11.950  -4.105
  348   HD21  LEU  49          HD21      LEU  49  -4.260 -10.908  -2.554
  349   HD22  LEU  49          HD22      LEU  49  -5.167  -9.796  -3.578
  350   HD23  LEU  49          HD23      LEU  49  -3.406  -9.727  -3.543
  351    H    TYR  50           HN       TYR  50  -5.803 -10.047  -8.244
  352    HA   TYR  50           HA       TYR  50  -4.180  -9.389 -10.349
  353    HB2  TYR  50           HB2      TYR  50  -6.618 -10.340 -10.194
  354    HB3  TYR  50           HB1      TYR  50  -7.107  -8.659 -10.414
  355    HD1  TYR  50           HD2      TYR  50  -5.219 -11.448 -11.827
  356    HD2  TYR  50           HD1      TYR  50  -6.863  -7.570 -12.513
  357    HE1  TYR  50           HE2      TYR  50  -4.784 -11.713 -14.268
  358    HE2  TYR  50           HE1      TYR  50  -6.441  -7.802 -14.954
  359    HH   TYR  50           HH       TYR  50  -5.137  -9.041 -16.481
  360    H    GLN  51           HN       GLN  51  -6.615  -7.226  -8.951
  361    HA   GLN  51           HA       GLN  51  -5.834  -4.909 -10.424
  362    HB2  GLN  51           HB2      GLN  51  -6.957  -4.795  -7.618
  363    HB3  GLN  51           HB1      GLN  51  -7.223  -3.686  -8.961
  364    HG2  GLN  51           HG2      GLN  51  -8.293  -5.651 -10.206
  365    HG3  GLN  51           HG1      GLN  51  -8.295  -6.491  -8.658
  366   HE21  GLN  51          HE21      GLN  51  -9.103  -3.161  -9.755
  367   HE22  GLN  51          HE22      GLN  51 -10.585  -3.090  -8.935
  368    H    LEU  52           HN       LEU  52  -4.823  -6.118  -7.240
  369    HA   LEU  52           HA       LEU  52  -3.114  -3.924  -6.635
  370    HB2  LEU  52           HB2      LEU  52  -2.910  -6.822  -5.815
  371    HB3  LEU  52           HB1      LEU  52  -1.980  -5.513  -5.095
  372    HG   LEU  52           HG       LEU  52  -5.007  -5.732  -5.108
  373   HD11  LEU  52          HD11      LEU  52  -4.770  -6.119  -2.738
  374   HD12  LEU  52          HD12      LEU  52  -3.025  -5.881  -2.828
  375   HD13  LEU  52          HD13      LEU  52  -3.770  -7.283  -3.605
  376   HD21  LEU  52          HD21      LEU  52  -4.727  -3.431  -5.009
  377   HD22  LEU  52          HD22      LEU  52  -3.104  -3.556  -4.349
  378   HD23  LEU  52          HD23      LEU  52  -4.500  -3.797  -3.299
  379    H    GLU  53           HN       GLU  53  -2.745  -6.784  -8.575
  380    HA   GLU  53           HA       GLU  53   0.094  -6.539  -8.970
  381    HB2  GLU  53           HB2      GLU  53  -1.914  -8.403  -9.619
  382    HB3  GLU  53           HB1      GLU  53  -1.374  -7.817 -11.190
  383    HG2  GLU  53           HG2      GLU  53   1.046  -8.248 -10.135
  384    HG3  GLU  53           HG1      GLU  53   0.147  -9.349  -9.093
  385    H    ASN  54           HN       ASN  54  -2.512  -4.708  -9.930
  386    HA   ASN  54           HA       ASN  54  -1.585  -3.886 -12.555
  387    HB2  ASN  54           HB2      ASN  54  -3.986  -3.783 -11.499
  388    HB3  ASN  54           HB1      ASN  54  -3.440  -2.255 -10.811
  389   HD21  ASN  54          HD21      ASN  54  -5.533  -2.493 -12.818
  390   HD22  ASN  54          HD22      ASN  54  -4.989  -1.703 -14.216
  391    H    TYR  55           HN       TYR  55  -1.036  -2.852  -9.256
  392    HA   TYR  55           HA       TYR  55   0.434  -0.429 -10.207
  393    HB2  TYR  55           HB2      TYR  55  -0.126  -1.185  -7.338
  394    HB3  TYR  55           HB1      TYR  55   0.223   0.407  -8.002
  395    HD1  TYR  55           HD2      TYR  55  -2.275  -2.269  -7.797
  396    HD2  TYR  55           HD1      TYR  55  -1.483   1.737  -9.037
  397    HE1  TYR  55           HE2      TYR  55  -4.721  -1.910  -8.139
  398    HE2  TYR  55           HE1      TYR  55  -3.911   2.116  -9.393
  399    HH   TYR  55           HH       TYR  55  -5.924   1.049  -9.626
  400    H    CYS  56           HN       CYS  56   1.172  -3.581  -9.812
  401    HA   CYS  56           HA       CYS  56   3.563  -3.305  -8.139
  402    HB2  CYS  56           HB2      CYS  56   2.520  -5.528  -9.910
  403    HB3  CYS  56           HB1      CYS  56   4.045  -5.634  -9.042
  404    H    ASN  57           HN       ASN  57   5.101  -1.957  -9.011
  405    HA   ASN  57           HA       ASN  57   6.636  -1.090 -10.564
  406    HB2  ASN  57           HB2      ASN  57   7.618  -3.316 -10.252
  407    HB3  ASN  57           HB1      ASN  57   6.540  -3.980 -11.477
  408   HD21  ASN  57          HD21      ASN  57   9.012  -1.394 -11.110
  409   HD22  ASN  57          HD22      ASN  57   9.618  -1.538 -12.689
  Start of MODEL   10
    1    H1   PHE   1           HT1      PHE   1  -4.744 -13.305   2.981
    2    H2   PHE   1           HT2      PHE   1  -6.321 -12.694   3.147
    3    H3   PHE   1           HT3      PHE   1  -5.018 -11.907   3.901
    4    HA   PHE   1           HA       PHE   1  -5.392 -10.584   2.076
    5    HB2  PHE   1           HB2      PHE   1  -3.042 -11.572   2.314
    6    HB3  PHE   1           HB1      PHE   1  -3.447 -12.634   0.977
    7    HD1  PHE   1           HD2      PHE   1  -5.206  -9.816   0.037
    8    HD2  PHE   1           HD1      PHE   1  -1.164 -11.097   0.652
    9    HE1  PHE   1           HE2      PHE   1  -4.425  -8.108  -1.505
   10    HE2  PHE   1           HE1      PHE   1  -0.380  -9.360  -0.900
   11    HZ   PHE   1           HZ       PHE   1  -2.003  -7.857  -1.984
   12    H    VAL   2           HN       VAL   2  -7.385 -12.746   2.007
   13    HA   VAL   2           HA       VAL   2  -7.491 -13.496  -0.874
   14    HB   VAL   2           HB       VAL   2  -9.575 -14.805   0.118
   15   HG11  VAL   2          HG11      VAL   2  -7.997 -16.631   0.855
   16   HG12  VAL   2          HG12      VAL   2  -6.673 -15.485   0.649
   17   HG13  VAL   2          HG13      VAL   2  -7.647 -15.967  -0.741
   18   HG21  VAL   2          HG21      VAL   2  -9.547 -15.192   2.444
   19   HG22  VAL   2          HG22      VAL   2  -9.203 -13.467   2.339
   20   HG23  VAL   2          HG23      VAL   2  -7.892 -14.609   2.619
   21    H    ASN   3           HN       ASN   3 -10.351 -13.116   1.083
   22    HA   ASN   3           HA       ASN   3 -11.340 -11.026  -0.802
   23    HB2  ASN   3           HB2      ASN   3 -12.979 -12.706   1.109
   24    HB3  ASN   3           HB1      ASN   3 -13.562 -11.751  -0.252
   25   HD21  ASN   3          HD21      ASN   3 -13.853 -12.893  -2.157
   26   HD22  ASN   3          HD22      ASN   3 -13.120 -14.379  -2.530
   27    H    GLN   4           HN       GLN   4  -9.615 -10.549   1.581
   28    HA   GLN   4           HA       GLN   4 -11.463  -9.115   3.408
   29    HB2  GLN   4           HB2      GLN   4  -9.035  -8.617   4.466
   30    HB3  GLN   4           HB1      GLN   4  -9.897 -10.122   4.761
   31    HG2  GLN   4           HG2      GLN   4  -8.668 -11.224   2.949
   32    HG3  GLN   4           HG1      GLN   4  -7.840  -9.712   2.571
   33   HE21  GLN   4          HE21      GLN   4  -7.532 -12.580   4.308
   34   HE22  GLN   4          HE22      GLN   4  -6.335 -12.092   5.405
   35    H    HIS   5           HN       HIS   5 -11.000  -6.869   3.952
   36    HA   HIS   5           HA       HIS   5 -10.384  -5.300   1.534
   37    HB2  HIS   5           HB2      HIS   5 -11.214  -3.402   2.962
   38    HB3  HIS   5           HB1      HIS   5 -12.385  -4.699   2.739
   39    HD2  HIS   5           HD2      HIS   5 -12.909  -3.143   5.474
   40    HE1  HIS   5           HE1      HIS   5 -10.645  -6.138   7.410
   41    HE2  HIS   5           HE2      HIS   5 -12.316  -4.253   7.749
   42    H    LEU   6           HN       LEU   6  -8.552  -4.152   1.252
   43    HA   LEU   6           HA       LEU   6  -6.519  -4.104   3.429
   44    HB2  LEU   6           HB2      LEU   6  -6.470  -3.892   0.439
   45    HB3  LEU   6           HB1      LEU   6  -5.220  -3.054   1.323
   46    HG   LEU   6           HG       LEU   6  -4.236  -5.013   2.103
   47   HD11  LEU   6          HD11      LEU   6  -5.583  -7.272   1.846
   48   HD12  LEU   6          HD12      LEU   6  -6.974  -6.198   1.920
   49   HD13  LEU   6          HD13      LEU   6  -5.820  -6.240   3.250
   50   HD21  LEU   6          HD21      LEU   6  -5.557  -5.736  -0.527
   51   HD22  LEU   6          HD22      LEU   6  -4.257  -6.634   0.209
   52   HD23  LEU   6          HD23      LEU   6  -3.976  -4.984  -0.306
   53    H    CYS   7           HN       CYS   7  -6.041  -2.200   4.451
   54    HA   CYS   7           HA       CYS   7  -6.702   0.366   3.145
   55    HB2  CYS   7           HB2      CYS   7  -8.619  -0.705   4.735
   56    HB3  CYS   7           HB1      CYS   7  -7.680   0.143   5.961
   57    H    GLY   8           HN       GLY   8  -5.016   1.696   3.487
   58    HA2  GLY   8           HA2      GLY   8  -3.200   2.736   4.575
   59    HA3  GLY   8           HA1      GLY   8  -3.733   1.970   6.071
   60    H    SER   9           HN       SER   9  -1.648   1.298   6.695
   61    HA   SER   9           HA       SER   9   0.376   0.115   5.219
   62    HB2  SER   9           HB2      SER   9  -0.569  -0.767   7.963
   63    HB3  SER   9           HB1      SER   9   1.016  -1.098   7.271
   64    HG   SER   9           HG       SER   9   0.079   1.543   7.352
   65    H    ASP  10           HN       ASP  10  -2.661  -1.399   6.233
   66    HA   ASP  10           HA       ASP  10  -2.091  -4.102   5.788
   67    HB2  ASP  10           HB2      ASP  10  -4.538  -2.410   5.360
   68    HB3  ASP  10           HB1      ASP  10  -4.568  -4.088   4.831
   69    H    LEU  11           HN       LEU  11  -3.103  -1.686   3.357
   70    HA   LEU  11           HA       LEU  11  -2.963  -3.393   1.109
   71    HB2  LEU  11           HB2      LEU  11  -3.962  -1.179   0.893
   72    HB3  LEU  11           HB1      LEU  11  -2.446  -0.410   1.341
   73    HG   LEU  11           HG       LEU  11  -1.388  -1.130  -0.705
   74   HD11  LEU  11          HD11      LEU  11  -2.774  -2.395  -2.392
   75   HD12  LEU  11          HD12      LEU  11  -3.902  -2.750  -1.091
   76   HD13  LEU  11          HD13      LEU  11  -2.239  -3.333  -1.010
   77   HD21  LEU  11          HD21      LEU  11  -2.880   0.859  -0.872
   78   HD22  LEU  11          HD22      LEU  11  -4.197  -0.206  -1.367
   79   HD23  LEU  11          HD23      LEU  11  -2.771  -0.034  -2.389
   80    H    VAL  12           HN       VAL  12  -0.467  -1.095   2.259
   81    HA   VAL  12           HA       VAL  12   1.605  -1.690   0.523
   82    HB   VAL  12           HB       VAL  12   1.983  -1.410   3.517
   83   HG11  VAL  12          HG11      VAL  12   3.947  -1.992   1.941
   84   HG12  VAL  12          HG12      VAL  12   4.143  -0.589   2.987
   85   HG13  VAL  12          HG13      VAL  12   3.736  -0.368   1.288
   86   HG21  VAL  12          HG21      VAL  12   1.615   0.723   1.394
   87   HG22  VAL  12          HG22      VAL  12   2.057   1.029   3.072
   88   HG23  VAL  12          HG23      VAL  12   0.476   0.352   2.687
   89    H    GLU  13           HN       GLU  13   1.364  -3.295   3.719
   90    HA   GLU  13           HA       GLU  13   3.225  -5.325   3.289
   91    HB2  GLU  13           HB2      GLU  13   0.564  -5.653   4.708
   92    HB3  GLU  13           HB1      GLU  13   2.006  -6.641   4.950
   93    HG2  GLU  13           HG2      GLU  13   3.242  -4.689   5.767
   94    HG3  GLU  13           HG1      GLU  13   1.845  -3.656   5.464
   95    H    ALA  14           HN       ALA  14  -0.038  -5.065   2.016
   96    HA   ALA  14           HA       ALA  14  -0.074  -7.810   1.024
   97    HB1  ALA  14           HB1      ALA  14  -2.278  -7.339   0.942
   98    HB2  ALA  14           HB2      ALA  14  -1.987  -6.214  -0.389
   99    HB3  ALA  14           HB3      ALA  14  -1.954  -5.642   1.273
  100    H    LEU  15           HN       LEU  15   0.190  -4.596  -0.625
  101    HA   LEU  15           HA       LEU  15   0.680  -5.596  -3.193
  102    HB2  LEU  15           HB2      LEU  15   1.811  -3.170  -1.803
  103    HB3  LEU  15           HB1      LEU  15   2.224  -3.552  -3.472
  104    HG   LEU  15           HG       LEU  15  -0.683  -3.439  -2.677
  105   HD11  LEU  15          HD11      LEU  15   0.543  -1.297  -1.926
  106   HD12  LEU  15          HD12      LEU  15  -0.796  -1.080  -3.048
  107   HD13  LEU  15          HD13      LEU  15   0.863  -1.015  -3.635
  108   HD21  LEU  15          HD21      LEU  15   0.773  -2.678  -5.225
  109   HD22  LEU  15          HD22      LEU  15  -0.969  -2.832  -5.014
  110   HD23  LEU  15          HD23      LEU  15   0.057  -4.260  -4.938
  111    H    TYR  16           HN       TYR  16   2.875  -5.319  -0.441
  112    HA   TYR  16           HA       TYR  16   5.336  -5.811  -1.641
  113    HB2  TYR  16           HB2      TYR  16   5.134  -5.378   0.735
  114    HB3  TYR  16           HB1      TYR  16   4.294  -6.907   0.976
  115    HD1  TYR  16           HD2      TYR  16   7.447  -5.660  -0.654
  116    HD2  TYR  16           HD1      TYR  16   5.588  -8.678   1.760
  117    HE1  TYR  16           HE2      TYR  16   9.631  -6.806  -0.408
  118    HE2  TYR  16           HE1      TYR  16   7.771  -9.830   2.011
  119    HH   TYR  16           HH       TYR  16  10.723  -8.503   0.504
  120    H    LEU  17           HN       LEU  17   2.991  -8.360  -0.618
  121    HA   LEU  17           HA       LEU  17   4.625 -10.495  -1.693
  122    HB2  LEU  17           HB2      LEU  17   1.613 -10.473  -1.326
  123    HB3  LEU  17           HB1      LEU  17   2.621 -11.885  -1.548
  124    HG   LEU  17           HG       LEU  17   3.852 -11.235   0.568
  125   HD11  LEU  17          HD11      LEU  17   2.148  -9.800   2.062
  126   HD12  LEU  17          HD12      LEU  17   1.739  -9.112   0.495
  127   HD13  LEU  17          HD13      LEU  17   3.391  -9.036   1.084
  128   HD21  LEU  17          HD21      LEU  17   1.807 -11.946   2.028
  129   HD22  LEU  17          HD22      LEU  17   2.354 -13.052   0.769
  130   HD23  LEU  17          HD23      LEU  17   0.939 -12.041   0.496
  131    H    VAL  18           HN       VAL  18   1.726  -8.823  -2.887
  132    HA   VAL  18           HA       VAL  18   1.416 -10.083  -5.359
  133    HB   VAL  18           HB       VAL  18   1.097  -7.130  -4.790
  134   HG11  VAL  18          HG11      VAL  18  -0.131  -8.937  -6.863
  135   HG12  VAL  18          HG12      VAL  18   0.996  -7.617  -7.137
  136   HG13  VAL  18          HG13      VAL  18  -0.625  -7.274  -6.557
  137   HG21  VAL  18          HG21      VAL  18  -1.211  -7.668  -4.231
  138   HG22  VAL  18          HG22      VAL  18  -0.126  -8.591  -3.192
  139   HG23  VAL  18          HG23      VAL  18  -0.913  -9.373  -4.560
  140    H    CYS  19           HN       CYS  19   3.211  -7.043  -4.843
  141    HA   CYS  19           HA       CYS  19   4.433  -7.192  -7.473
  142    HB2  CYS  19           HB2      CYS  19   5.392  -5.468  -5.194
  143    HB3  CYS  19           HB1      CYS  19   5.443  -5.134  -6.919
  144    H    GLY  20           HN       GLY  20   5.252  -8.314  -4.299
  145    HA2  GLY  20           HA2      GLY  20   7.154  -9.424  -3.480
  146    HA3  GLY  20           HA1      GLY  20   7.273 -10.065  -5.115
  147    H    GLU  21           HN       GLU  21   9.342  -9.795  -5.781
  148    HA   GLU  21           HA       GLU  21  11.019  -7.629  -4.801
  149    HB2  GLU  21           HB2      GLU  21  11.420  -9.710  -6.964
  150    HB3  GLU  21           HB1      GLU  21  12.658  -8.550  -6.481
  151    HG2  GLU  21           HG2      GLU  21  12.381  -9.400  -4.109
  152    HG3  GLU  21           HG1      GLU  21  11.370 -10.687  -4.767
  153    H    ARG  22           HN       ARG  22   8.781  -7.930  -7.379
  154    HA   ARG  22           HA       ARG  22   9.940  -6.319  -9.382
  155    HB2  ARG  22           HB2      ARG  22   7.032  -6.242  -8.525
  156    HB3  ARG  22           HB1      ARG  22   7.675  -5.805 -10.107
  157    HG2  ARG  22           HG2      ARG  22   8.396  -8.102 -10.499
  158    HG3  ARG  22           HG1      ARG  22   7.880  -8.572  -8.880
  159    HD2  ARG  22           HD2      ARG  22   6.014  -9.228 -10.106
  160    HD3  ARG  22           HD1      ARG  22   5.541  -7.576  -9.712
  161    HE   ARG  22           HE       ARG  22   6.914  -7.320 -12.106
  162   HH11  ARG  22          HH21      ARG  22   4.297  -9.213 -10.902
  163   HH12  ARG  22          HH22      ARG  22   3.495  -9.322 -12.433
  164   HH21  ARG  22          HH11      ARG  22   5.884  -7.452 -14.115
  165   HH22  ARG  22          HH12      ARG  22   4.393  -8.325 -14.253
  166    H    GLY  23           HN       GLY  23   8.631  -5.453  -6.254
  167    HA2  GLY  23           HA2      GLY  23   8.877  -3.419  -5.089
  168    HA3  GLY  23           HA1      GLY  23   9.784  -2.785  -6.466
  169    H    PHE  24           HN       PHE  24   7.643  -1.382  -5.043
  170    HA   PHE  24           HA       PHE  24   6.003  -0.730  -7.385
  171    HB2  PHE  24           HB2      PHE  24   3.876  -1.165  -6.335
  172    HB3  PHE  24           HB1      PHE  24   4.835  -2.640  -6.264
  173    HD1  PHE  24           HD1      PHE  24   5.794  -3.432  -4.153
  174    HD2  PHE  24           HD2      PHE  24   3.419   0.144  -4.310
  175    HE1  PHE  24           HE1      PHE  24   5.562  -3.478  -1.686
  176    HE2  PHE  24           HE2      PHE  24   3.182   0.088  -1.840
  177    HZ   PHE  24           HZ       PHE  24   4.254  -1.716  -0.534
  178    H    PHE  25           HN       PHE  25   4.425   1.042  -6.759
  179    HA   PHE  25           HA       PHE  25   5.700   2.904  -4.787
  180    HB2  PHE  25           HB2      PHE  25   4.784   4.720  -6.258
  181    HB3  PHE  25           HB1      PHE  25   5.984   3.716  -7.072
  182    HD1  PHE  25           HD1      PHE  25   2.337   4.357  -6.709
  183    HD2  PHE  25           HD2      PHE  25   5.399   2.323  -8.936
  184    HE1  PHE  25           HE1      PHE  25   0.668   3.758  -8.451
  185    HE2  PHE  25           HE2      PHE  25   3.736   1.730 -10.677
  186    HZ   PHE  25           HZ       PHE  25   1.374   2.446 -10.436
  187    H    TYR  26           HN       TYR  26   4.348   3.736  -3.227
  188    HA   TYR  26           HA       TYR  26   1.658   2.653  -3.038
  189    HB2  TYR  26           HB2      TYR  26   3.270   3.386  -1.092
  190    HB3  TYR  26           HB1      TYR  26   2.618   4.998  -1.388
  191    HD1  TYR  26           HD1      TYR  26   1.415   1.453  -1.011
  192    HD2  TYR  26           HD2      TYR  26   0.672   5.615  -0.220
  193    HE1  TYR  26           HE1      TYR  26  -0.636   0.863   0.253
  194    HE2  TYR  26           HE2      TYR  26  -1.366   5.012   1.050
  195    HH   TYR  26           HH       TYR  26  -2.944   3.212   1.236
  196    H    THR  27           HN       THR  27  -0.215   4.359  -2.674
  197    HA   THR  27           HA       THR  27  -0.488   5.776  -5.137
  198    HB   THR  27           HB       THR  27  -2.438   5.024  -3.882
  199    HG1  THR  27           HG1      THR  27  -2.223   7.838  -4.061
  200   HG21  THR  27          HG21      THR  27  -1.606   7.106  -1.840
  201   HG22  THR  27          HG22      THR  27  -1.555   5.360  -1.613
  202   HG23  THR  27          HG23      THR  27  -3.102   6.173  -1.801
  203    H    ASP  28           HN       ASP  28  -1.112   8.240  -5.062
  204    HA   ASP  28           HA       ASP  28   1.124   9.757  -4.821
  205    HB2  ASP  28           HB2      ASP  28  -1.648  10.276  -5.166
  206    HB3  ASP  28           HB1      ASP  28  -1.086  11.437  -3.969
  207    HA   PRO  29           HA       PRO  29   1.953  10.124  -0.426
  208    HB2  PRO  29           HB2      PRO  29   3.575  12.369  -0.462
  209    HB3  PRO  29           HB1      PRO  29   4.122  10.758  -0.948
  210    HG2  PRO  29           HG2      PRO  29   3.428  13.106  -2.659
  211    HG3  PRO  29           HG1      PRO  29   4.568  11.790  -2.974
  212    HD2  PRO  29           HD2      PRO  29   1.986  11.996  -4.083
  213    HD3  PRO  29           HD1      PRO  29   2.981  10.523  -4.023
  214    H    THR  30           HN       THR  30   0.185  12.439  -2.195
  215    HA   THR  30           HA       THR  30  -0.014  14.642  -0.472
  216    HB   THR  30           HB       THR  30  -2.116  15.135  -1.548
  217    HG1  THR  30           HG1      THR  30  -3.069  13.090  -1.288
  218   HG21  THR  30          HG21      THR  30  -0.039  15.246  -2.921
  219   HG22  THR  30          HG22      THR  30  -1.468  14.888  -3.889
  220   HG23  THR  30          HG23      THR  30  -0.343  13.598  -3.468
  221    H    GLY  31           HN       GLY  31  -1.810  11.574  -0.282
  222    HA2  GLY  31           HA2      GLY  31  -2.923  10.629   1.562
  223    HA3  GLY  31           HA1      GLY  31  -2.106  11.819   2.569
  224    H    GLY  32           HN       GLY  32  -3.411  13.902   0.594
  225    HA2  GLY  32           HA2      GLY  32  -5.908  14.158   2.199
  226    HA3  GLY  32           HA1      GLY  32  -5.168  15.440   1.236
  227    H    GLY  33           HN       GLY  33  -4.821  13.138  -0.833
  228    HA2  GLY  33           HA2      GLY  33  -7.401  12.361  -1.754
  229    HA3  GLY  33           HA1      GLY  33  -6.928  13.849  -2.582
  230    HA   PRO  34           HA       PRO  34  -3.365  10.879  -3.710
  231    HB2  PRO  34           HB2      PRO  34  -3.461   8.324  -2.611
  232    HB3  PRO  34           HB1      PRO  34  -2.549   9.667  -1.920
  233    HG2  PRO  34           HG2      PRO  34  -5.150   8.497  -1.051
  234    HG3  PRO  34           HG1      PRO  34  -3.904   9.302  -0.078
  235    HD2  PRO  34           HD2      PRO  34  -6.308  10.496  -0.869
  236    HD3  PRO  34           HD1      PRO  34  -4.842  11.377  -0.389
  237    H    ARG  35           HN       ARG  35  -3.263   8.522  -4.851
  238    HA   ARG  35           HA       ARG  35  -5.334   8.448  -6.810
  239    HB2  ARG  35           HB2      ARG  35  -2.912   7.439  -6.830
  240    HB3  ARG  35           HB1      ARG  35  -3.669   6.025  -6.103
  241    HG2  ARG  35           HG2      ARG  35  -5.282   5.951  -8.003
  242    HG3  ARG  35           HG1      ARG  35  -4.419   7.296  -8.752
  243    HD2  ARG  35           HD2      ARG  35  -2.329   5.920  -8.706
  244    HD3  ARG  35           HD1      ARG  35  -3.277   4.559  -8.097
  245    HE   ARG  35           HE       ARG  35  -4.615   5.308 -10.402
  246   HH11  ARG  35          HH21      ARG  35  -1.369   4.529  -9.544
  247   HH12  ARG  35          HH22      ARG  35  -0.976   3.867 -11.096
  248   HH21  ARG  35          HH11      ARG  35  -4.122   4.449 -12.434
  249   HH22  ARG  35          HH12      ARG  35  -2.535   3.822 -12.733
  250    H    ARG  36           HN       ARG  36  -7.337   8.380  -5.567
  251    HA   ARG  36           HA       ARG  36  -7.941   6.407  -3.624
  252    HB2  ARG  36           HB2      ARG  36 -10.307   6.865  -4.138
  253    HB3  ARG  36           HB1      ARG  36  -9.368   8.344  -3.954
  254    HG2  ARG  36           HG2      ARG  36 -10.305   8.915  -5.948
  255    HG3  ARG  36           HG1      ARG  36  -9.059   7.902  -6.646
  256    HD2  ARG  36           HD2      ARG  36 -10.850   5.976  -6.225
  257    HD3  ARG  36           HD1      ARG  36 -11.981   7.327  -6.273
  258    HE   ARG  36           HE       ARG  36 -10.410   7.704  -8.521
  259   HH11  ARG  36          HH21      ARG  36 -12.266   5.135  -7.162
  260   HH12  ARG  36          HH22      ARG  36 -12.663   4.434  -8.696
  261   HH21  ARG  36          HH11      ARG  36 -10.917   6.802 -10.531
  262   HH22  ARG  36          HH12      ARG  36 -11.899   5.376 -10.602
  263    H    GLY  37           HN       GLY  37  -7.106   5.967  -6.789
  264    HA2  GLY  37           HA2      GLY  37  -8.945   3.896  -7.578
  265    HA3  GLY  37           HA1      GLY  37  -7.380   4.217  -8.321
  266    H    ILE  38           HN       ILE  38  -6.072   3.922  -5.560
  267    HA   ILE  38           HA       ILE  38  -5.999   0.944  -5.636
  268    HB   ILE  38           HB       ILE  38  -3.929   2.712  -5.789
  269   HG12  ILE  38          HG12      ILE  38  -3.472   0.496  -6.366
  270   HG13  ILE  38          HG11      ILE  38  -2.458   0.732  -4.962
  271   HG21  ILE  38          HG21      ILE  38  -3.982   1.880  -2.874
  272   HG22  ILE  38          HG22      ILE  38  -4.162   3.518  -3.493
  273   HG23  ILE  38          HG23      ILE  38  -2.643   2.663  -3.702
  274   HD11  ILE  38          HD11      ILE  38  -3.415  -1.258  -4.347
  275   HD12  ILE  38          HD12      ILE  38  -4.868  -0.994  -5.299
  276   HD13  ILE  38          HD13      ILE  38  -4.678  -0.206  -3.734
  277    H    VAL  39           HN       VAL  39  -5.887   3.539  -3.157
  278    HA   VAL  39           HA       VAL  39  -6.292   1.777  -0.971
  279    HB   VAL  39           HB       VAL  39  -7.228   4.647  -1.003
  280   HG11  VAL  39          HG11      VAL  39  -6.484   4.544   1.348
  281   HG12  VAL  39          HG12      VAL  39  -5.974   2.872   1.114
  282   HG13  VAL  39          HG13      VAL  39  -7.683   3.295   1.011
  283   HG21  VAL  39          HG21      VAL  39  -5.084   4.931  -1.912
  284   HG22  VAL  39          HG22      VAL  39  -4.429   3.516  -1.088
  285   HG23  VAL  39          HG23      VAL  39  -4.739   4.999  -0.186
  286    H    GLU  40           HN       GLU  40  -8.773   4.048  -2.257
  287    HA   GLU  40           HA       GLU  40 -10.916   2.896  -0.824
  288    HB2  GLU  40           HB2      GLU  40 -10.937   4.279  -3.514
  289    HB3  GLU  40           HB1      GLU  40 -12.383   3.906  -2.580
  290    HG2  GLU  40           HG2      GLU  40 -11.364   5.200  -0.659
  291    HG3  GLU  40           HG1      GLU  40 -10.102   5.727  -1.774
  292    H    GLN  41           HN       GLN  41  -9.760   2.094  -4.107
  293    HA   GLN  41           HA       GLN  41 -11.715   0.257  -4.863
  294    HB2  GLN  41           HB2      GLN  41  -9.678   0.957  -6.196
  295    HB3  GLN  41           HB1      GLN  41  -8.749  -0.229  -5.278
  296    HG2  GLN  41           HG2      GLN  41  -9.450  -1.348  -7.272
  297    HG3  GLN  41           HG1      GLN  41 -10.512  -1.940  -5.998
  298   HE21  GLN  41          HE21      GLN  41 -12.379  -2.331  -7.231
  299   HE22  GLN  41          HE22      GLN  41 -13.214  -1.114  -8.056
  300    H    CYS  42           HN       CYS  42  -8.711  -0.590  -3.104
  301    HA   CYS  42           HA       CYS  42  -9.828  -3.226  -2.464
  302    HB2  CYS  42           HB2      CYS  42  -7.236  -1.965  -1.541
  303    HB3  CYS  42           HB1      CYS  42  -7.671  -3.672  -1.473
  304    H    CYS  43           HN       CYS  43  -9.462  -0.136  -0.810
  305    HA   CYS  43           HA       CYS  43 -10.002  -1.336   1.825
  306    HB2  CYS  43           HB2      CYS  43  -8.583   0.692   1.695
  307    HB3  CYS  43           HB1      CYS  43  -9.940   1.586   1.002
  308    H    HIS  44           HN       HIS  44 -11.734   0.905  -0.364
  309    HA   HIS  44           HA       HIS  44 -14.176   0.766   1.172
  310    HB2  HIS  44           HB2      HIS  44 -13.321   2.494  -0.685
  311    HB3  HIS  44           HB1      HIS  44 -14.213   1.430  -1.766
  312    HD2  HIS  44           HD2      HIS  44 -16.772   0.878   0.400
  313    HE1  HIS  44           HE1      HIS  44 -17.269   5.059   0.106
  314    HE2  HIS  44           HE2      HIS  44 -18.378   2.879   0.796
  315    H    SER  45           HN       SER  45 -12.773  -1.136  -1.415
  316    HA   SER  45           HA       SER  45 -15.078  -3.033  -1.185
  317    HB2  SER  45           HB2      SER  45 -14.585  -3.379  -3.781
  318    HB3  SER  45           HB1      SER  45 -15.683  -2.119  -3.232
  319    HG   SER  45           HG       SER  45 -14.180  -0.619  -3.614
  320    H    ILE  46           HN       ILE  46 -14.499  -5.214  -1.954
  321    HA   ILE  46           HA       ILE  46 -11.801  -5.935  -1.056
  322    HB   ILE  46           HB       ILE  46 -13.902  -7.781  -2.203
  323   HG12  ILE  46          HG12      ILE  46 -15.044  -6.412  -0.545
  324   HG13  ILE  46          HG11      ILE  46 -14.750  -8.011   0.135
  325   HG21  ILE  46          HG21      ILE  46 -12.903  -9.386  -0.675
  326   HG22  ILE  46          HG22      ILE  46 -11.804  -8.158  -0.048
  327   HG23  ILE  46          HG23      ILE  46 -11.655  -8.709  -1.718
  328   HD11  ILE  46          HD11      ILE  46 -13.247  -5.451   0.703
  329   HD12  ILE  46          HD12      ILE  46 -12.612  -7.032   1.155
  330   HD13  ILE  46          HD13      ILE  46 -14.131  -6.464   1.841
  331    H    CYS  47           HN       CYS  47 -10.300  -5.366  -2.660
  332    HA   CYS  47           HA       CYS  47 -10.851  -6.134  -5.474
  333    HB2  CYS  47           HB2      CYS  47  -9.039  -4.752  -6.074
  334    HB3  CYS  47           HB1      CYS  47  -9.755  -3.904  -4.707
  335    H    SER  48           HN       SER  48  -9.586  -7.672  -6.591
  336    HA   SER  48           HA       SER  48  -8.389  -9.736  -4.885
  337    HB2  SER  48           HB2      SER  48  -8.163  -9.884  -7.867
  338    HB3  SER  48           HB1      SER  48  -8.581 -11.144  -6.711
  339    HG   SER  48           HG       SER  48 -10.438 -10.594  -7.783
  340    H    LEU  49           HN       LEU  49  -6.195 -10.633  -5.570
  341    HA   LEU  49           HA       LEU  49  -4.174  -8.673  -5.273
  342    HB2  LEU  49           HB2      LEU  49  -3.823 -11.365  -6.617
  343    HB3  LEU  49           HB1      LEU  49  -2.594 -10.435  -5.769
  344    HG   LEU  49           HG       LEU  49  -4.977 -11.878  -4.589
  345   HD11  LEU  49          HD11      LEU  49  -2.918 -13.192  -4.870
  346   HD12  LEU  49          HD12      LEU  49  -3.202 -12.878  -3.158
  347   HD13  LEU  49          HD13      LEU  49  -1.992 -11.943  -4.037
  348   HD21  LEU  49          HD21      LEU  49  -5.012  -9.808  -3.404
  349   HD22  LEU  49          HD22      LEU  49  -3.253  -9.710  -3.399
  350   HD23  LEU  49          HD23      LEU  49  -4.072 -10.901  -2.390
  351    H    TYR  50           HN       TYR  50  -5.666 -10.088  -8.091
  352    HA   TYR  50           HA       TYR  50  -4.051  -9.424 -10.195
  353    HB2  TYR  50           HB2      TYR  50  -6.490 -10.384 -10.028
  354    HB3  TYR  50           HB1      TYR  50  -6.980  -8.708 -10.277
  355    HD1  TYR  50           HD2      TYR  50  -5.108 -11.528 -11.642
  356    HD2  TYR  50           HD1      TYR  50  -6.705  -7.641 -12.388
  357    HE1  TYR  50           HE2      TYR  50  -4.666 -11.831 -14.078
  358    HE2  TYR  50           HE1      TYR  50  -6.274  -7.911 -14.825
  359    HH   TYR  50           HH       TYR  50  -4.258 -10.205 -16.082
  360    H    GLN  51           HN       GLN  51  -6.508  -7.269  -8.823
  361    HA   GLN  51           HA       GLN  51  -5.734  -4.960 -10.312
  362    HB2  GLN  51           HB2      GLN  51  -6.885  -4.845  -7.517
  363    HB3  GLN  51           HB1      GLN  51  -7.124  -3.724  -8.854
  364    HG2  GLN  51           HG2      GLN  51  -8.182  -5.683 -10.128
  365    HG3  GLN  51           HG1      GLN  51  -8.226  -6.519  -8.579
  366   HE21  GLN  51          HE21      GLN  51  -9.012  -3.209  -9.757
  367   HE22  GLN  51          HE22      GLN  51 -10.499  -3.111  -8.947
  368    H    LEU  52           HN       LEU  52  -4.716  -6.152  -7.127
  369    HA   LEU  52           HA       LEU  52  -3.025  -3.937  -6.518
  370    HB2  LEU  52           HB2      LEU  52  -2.817  -6.833  -5.693
  371    HB3  LEU  52           HB1      LEU  52  -1.890  -5.524  -4.972
  372    HG   LEU  52           HG       LEU  52  -4.914  -5.765  -4.981
  373   HD11  LEU  52          HD11      LEU  52  -3.639  -7.282  -3.470
  374   HD12  LEU  52          HD12      LEU  52  -4.670  -6.135  -2.616
  375   HD13  LEU  52          HD13      LEU  52  -2.931  -5.860  -2.701
  376   HD21  LEU  52          HD21      LEU  52  -4.443  -3.807  -3.196
  377   HD22  LEU  52          HD22      LEU  52  -4.659  -3.457  -4.909
  378   HD23  LEU  52          HD23      LEU  52  -3.039  -3.556  -4.234
  379    H    GLU  53           HN       GLU  53  -2.705  -6.714  -8.538
  380    HA   GLU  53           HA       GLU  53   0.158  -6.497  -8.919
  381    HB2  GLU  53           HB2      GLU  53  -1.815  -8.401  -9.481
  382    HB3  GLU  53           HB1      GLU  53  -1.379  -7.814 -11.082
  383    HG2  GLU  53           HG2      GLU  53   0.670  -8.745  -9.049
  384    HG3  GLU  53           HG1      GLU  53  -0.047  -9.808 -10.246
  385    H    ASN  54           HN       ASN  54  -2.454  -4.679  -9.856
  386    HA   ASN  54           HA       ASN  54  -1.544  -3.883 -12.503
  387    HB2  ASN  54           HB2      ASN  54  -3.958  -3.840 -11.448
  388    HB3  ASN  54           HB1      ASN  54  -3.460  -2.274 -10.809
  389   HD21  ASN  54          HD21      ASN  54  -5.550  -2.531 -12.753
  390   HD22  ASN  54          HD22      ASN  54  -5.028  -1.814 -14.196
  391    H    TYR  55           HN       TYR  55  -1.030  -2.805  -9.213
  392    HA   TYR  55           HA       TYR  55   0.293  -0.308 -10.173
  393    HB2  TYR  55           HB2      TYR  55  -0.168  -1.149  -7.308
  394    HB3  TYR  55           HB1      TYR  55   0.126   0.470  -7.932
  395    HD1  TYR  55           HD2      TYR  55  -2.294  -2.262  -7.698
  396    HD2  TYR  55           HD1      TYR  55  -1.623   1.751  -8.992
  397    HE1  TYR  55           HE2      TYR  55  -4.754  -1.972  -8.013
  398    HE2  TYR  55           HE1      TYR  55  -4.065   2.059  -9.325
  399    HH   TYR  55           HH       TYR  55  -6.070   0.495  -9.788
  400    H    CYS  56           HN       CYS  56   1.236  -3.422  -9.824
  401    HA   CYS  56           HA       CYS  56   3.696  -2.955  -8.281
  402    HB2  CYS  56           HB2      CYS  56   2.825  -5.323  -9.961
  403    HB3  CYS  56           HB1      CYS  56   4.242  -5.280  -8.921
  404    H    ASN  57           HN       ASN  57   5.263  -1.757  -9.232
  405    HA   ASN  57           HA       ASN  57   6.623  -0.829 -10.914
  406    HB2  ASN  57           HB2      ASN  57   7.550  -3.144 -10.563
  407    HB3  ASN  57           HB1      ASN  57   6.570  -3.682 -11.925
  408   HD21  ASN  57          HD21      ASN  57   9.252  -4.001 -12.323
  409   HD22  ASN  57          HD22      ASN  57   9.872  -2.809 -13.360
  Start of MODEL   11
    1    H1   PHE   1           HT1      PHE   1  -5.057 -13.222   2.803
    2    H2   PHE   1           HT2      PHE   1  -6.715 -12.857   2.719
    3    H3   PHE   1           HT3      PHE   1  -5.665 -11.853   3.599
    4    HA   PHE   1           HA       PHE   1  -5.770 -10.611   1.743
    5    HB2  PHE   1           HB2      PHE   1  -3.447 -11.681   2.049
    6    HB3  PHE   1           HB1      PHE   1  -3.849 -12.704   0.682
    7    HD1  PHE   1           HD2      PHE   1  -5.505  -9.862  -0.291
    8    HD2  PHE   1           HD1      PHE   1  -1.508 -11.188   0.495
    9    HE1  PHE   1           HE2      PHE   1  -4.637  -8.139  -1.774
   10    HE2  PHE   1           HE1      PHE   1  -0.638  -9.444  -0.999
   11    HZ   PHE   1           HZ       PHE   1  -2.192  -7.912  -2.139
   12    H    VAL   2           HN       VAL   2  -7.789 -12.773   1.662
   13    HA   VAL   2           HA       VAL   2  -7.850 -13.526  -1.220
   14    HB   VAL   2           HB       VAL   2  -9.928 -14.857  -0.262
   15   HG11  VAL   2          HG11      VAL   2  -7.898 -15.940  -1.074
   16   HG12  VAL   2          HG12      VAL   2  -8.390 -16.682   0.448
   17   HG13  VAL   2          HG13      VAL   2  -7.054 -15.532   0.419
   18   HG21  VAL   2          HG21      VAL   2  -9.954 -15.227   2.065
   19   HG22  VAL   2          HG22      VAL   2  -9.617 -13.500   1.960
   20   HG23  VAL   2          HG23      VAL   2  -8.307 -14.633   2.275
   21    H    ASN   3           HN       ASN   3 -10.749 -13.177   0.686
   22    HA   ASN   3           HA       ASN   3 -11.735 -11.115  -1.229
   23    HB2  ASN   3           HB2      ASN   3 -13.372 -12.756   0.717
   24    HB3  ASN   3           HB1      ASN   3 -13.953 -11.843  -0.673
   25   HD21  ASN   3          HD21      ASN   3 -14.242 -13.050  -2.537
   26   HD22  ASN   3          HD22      ASN   3 -13.492 -14.537  -2.866
   27    H    GLN   4           HN       GLN   4 -10.026 -10.609   1.176
   28    HA   GLN   4           HA       GLN   4 -11.889  -9.108   2.938
   29    HB2  GLN   4           HB2      GLN   4  -9.504  -8.650   4.073
   30    HB3  GLN   4           HB1      GLN   4 -10.372 -10.160   4.327
   31    HG2  GLN   4           HG2      GLN   4  -9.084 -11.249   2.557
   32    HG3  GLN   4           HG1      GLN   4  -8.258  -9.732   2.196
   33   HE21  GLN   4          HE21      GLN   4  -8.015 -12.592   3.986
   34   HE22  GLN   4          HE22      GLN   4  -6.827 -12.098   5.091
   35    H    HIS   5           HN       HIS   5 -11.322  -6.862   3.483
   36    HA   HIS   5           HA       HIS   5 -10.565  -5.363   1.041
   37    HB2  HIS   5           HB2      HIS   5 -11.374  -3.408   2.619
   38    HB3  HIS   5           HB1      HIS   5 -12.557  -4.493   1.896
   39    HD2  HIS   5           HD2      HIS   5 -10.606  -4.371   5.383
   40    HE1  HIS   5           HE1      HIS   5 -14.413  -6.110   5.960
   41    HE2  HIS   5           HE2      HIS   5 -12.275  -5.361   7.114
   42    H    LEU   6           HN       LEU   6  -8.758  -4.122   0.897
   43    HA   LEU   6           HA       LEU   6  -6.822  -4.172   3.167
   44    HB2  LEU   6           HB2      LEU   6  -6.629  -3.880   0.187
   45    HB3  LEU   6           HB1      LEU   6  -5.403  -3.103   1.156
   46    HG   LEU   6           HG       LEU   6  -4.491  -5.108   1.898
   47   HD11  LEU   6          HD11      LEU   6  -6.148  -6.314   2.969
   48   HD12  LEU   6          HD12      LEU   6  -5.877  -7.325   1.557
   49   HD13  LEU   6          HD13      LEU   6  -7.248  -6.224   1.597
   50   HD21  LEU   6          HD21      LEU   6  -5.752  -5.741  -0.784
   51   HD22  LEU   6          HD22      LEU   6  -4.491  -6.683  -0.033
   52   HD23  LEU   6          HD23      LEU   6  -4.162  -5.028  -0.503
   53    H    CYS   7           HN       CYS   7  -6.389  -2.299   4.264
   54    HA   CYS   7           HA       CYS   7  -6.949   0.303   2.974
   55    HB2  CYS   7           HB2      CYS   7  -8.945  -0.770   4.456
   56    HB3  CYS   7           HB1      CYS   7  -8.050   0.039   5.739
   57    H    GLY   8           HN       GLY   8  -5.273   1.616   3.416
   58    HA2  GLY   8           HA2      GLY   8  -3.494   2.616   4.596
   59    HA3  GLY   8           HA1      GLY   8  -4.080   1.809   6.051
   60    H    SER   9           HN       SER   9  -1.981   1.136   6.694
   61    HA   SER   9           HA       SER   9   0.050  -0.041   5.219
   62    HB2  SER   9           HB2      SER   9  -0.921  -0.932   7.951
   63    HB3  SER   9           HB1      SER   9   0.660  -1.292   7.264
   64    HG   SER   9           HG       SER   9   1.239   0.770   7.483
   65    H    ASP  10           HN       ASP  10  -3.021  -1.540   6.142
   66    HA   ASP  10           HA       ASP  10  -2.471  -4.248   5.709
   67    HB2  ASP  10           HB2      ASP  10  -4.875  -2.524   5.171
   68    HB3  ASP  10           HB1      ASP  10  -4.902  -4.201   4.642
   69    H    LEU  11           HN       LEU  11  -3.351  -1.816   3.251
   70    HA   LEU  11           HA       LEU  11  -3.150  -3.494   0.994
   71    HB2  LEU  11           HB2      LEU  11  -4.082  -1.253   0.777
   72    HB3  LEU  11           HB1      LEU  11  -2.564  -0.531   1.294
   73    HG   LEU  11           HG       LEU  11  -1.449  -1.253  -0.722
   74   HD11  LEU  11          HD11      LEU  11  -3.992  -2.794  -1.219
   75   HD12  LEU  11          HD12      LEU  11  -2.346  -3.420  -1.105
   76   HD13  LEU  11          HD13      LEU  11  -2.820  -2.442  -2.481
   77   HD21  LEU  11          HD21      LEU  11  -4.206  -0.203  -1.423
   78   HD22  LEU  11          HD22      LEU  11  -2.774  -0.105  -2.446
   79   HD23  LEU  11          HD23      LEU  11  -2.834   0.789  -0.928
   80    H    VAL  12           HN       VAL  12  -0.638  -1.327   2.342
   81    HA   VAL  12           HA       VAL  12   1.482  -1.928   0.654
   82    HB   VAL  12           HB       VAL  12   1.765  -1.749   3.664
   83   HG11  VAL  12          HG11      VAL  12   3.757  -2.308   2.102
   84   HG12  VAL  12          HG12      VAL  12   3.955  -0.971   3.231
   85   HG13  VAL  12          HG13      VAL  12   3.601  -0.646   1.536
   86   HG21  VAL  12          HG21      VAL  12   0.319   0.073   2.888
   87   HG22  VAL  12          HG22      VAL  12   1.463   0.455   1.602
   88   HG23  VAL  12          HG23      VAL  12   1.914   0.711   3.286
   89    H    GLU  13           HN       GLU  13   1.079  -3.612   3.796
   90    HA   GLU  13           HA       GLU  13   2.897  -5.680   3.364
   91    HB2  GLU  13           HB2      GLU  13   0.190  -5.925   4.711
   92    HB3  GLU  13           HB1      GLU  13   1.552  -7.025   4.928
   93    HG2  GLU  13           HG2      GLU  13   2.916  -5.088   5.747
   94    HG3  GLU  13           HG1      GLU  13   1.468  -4.085   5.662
   95    H    ALA  14           HN       ALA  14  -0.262  -5.243   1.936
   96    HA   ALA  14           HA       ALA  14  -0.375  -7.975   0.890
   97    HB1  ALA  14           HB1      ALA  14  -2.556  -7.417   0.769
   98    HB2  ALA  14           HB2      ALA  14  -2.187  -6.287  -0.538
   99    HB3  ALA  14           HB3      ALA  14  -2.180  -5.738   1.131
  100    H    LEU  15           HN       LEU  15   0.059  -4.727  -0.657
  101    HA   LEU  15           HA       LEU  15   0.621  -5.698  -3.230
  102    HB2  LEU  15           HB2      LEU  15   1.742  -3.317  -1.754
  103    HB3  LEU  15           HB1      LEU  15   2.208  -3.674  -3.414
  104    HG   LEU  15           HG       LEU  15  -0.724  -3.526  -2.715
  105   HD11  LEU  15          HD11      LEU  15   0.888  -1.110  -3.581
  106   HD12  LEU  15          HD12      LEU  15   0.517  -1.419  -1.888
  107   HD13  LEU  15          HD13      LEU  15  -0.787  -1.162  -3.041
  108   HD21  LEU  15          HD21      LEU  15   0.105  -4.319  -4.968
  109   HD22  LEU  15          HD22      LEU  15   0.810  -2.725  -5.203
  110   HD23  LEU  15          HD23      LEU  15  -0.935  -2.901  -5.045
  111    H    TYR  16           HN       TYR  16   2.680  -5.561  -0.370
  112    HA   TYR  16           HA       TYR  16   5.187  -6.076  -1.482
  113    HB2  TYR  16           HB2      TYR  16   4.877  -5.701   0.902
  114    HB3  TYR  16           HB1      TYR  16   4.012  -7.227   1.055
  115    HD1  TYR  16           HD2      TYR  16   7.248  -5.968  -0.401
  116    HD2  TYR  16           HD1      TYR  16   5.253  -9.035   1.839
  117    HE1  TYR  16           HE2      TYR  16   9.405  -7.151  -0.104
  118    HE2  TYR  16           HE1      TYR  16   7.410 -10.223   2.139
  119    HH   TYR  16           HH       TYR  16  10.242  -8.970   1.890
  120    H    LEU  17           HN       LEU  17   2.734  -8.582  -0.621
  121    HA   LEU  17           HA       LEU  17   4.345 -10.739  -1.676
  122    HB2  LEU  17           HB2      LEU  17   1.324 -10.606  -1.416
  123    HB3  LEU  17           HB1      LEU  17   2.271 -12.054  -1.679
  124    HG   LEU  17           HG       LEU  17   3.479 -11.545   0.496
  125   HD11  LEU  17          HD11      LEU  17   3.068  -9.341   1.072
  126   HD12  LEU  17          HD12      LEU  17   1.822 -10.126   2.028
  127   HD13  LEU  17          HD13      LEU  17   1.409  -9.370   0.494
  128   HD21  LEU  17          HD21      LEU  17   0.545 -12.247   0.312
  129   HD22  LEU  17          HD22      LEU  17   1.373 -12.253   1.868
  130   HD23  LEU  17          HD23      LEU  17   1.920 -13.317   0.574
  131    H    VAL  18           HN       VAL  18   1.559  -8.950  -2.968
  132    HA   VAL  18           HA       VAL  18   1.336 -10.138  -5.487
  133    HB   VAL  18           HB       VAL  18   1.095  -7.178  -4.896
  134   HG11  VAL  18          HG11      VAL  18  -0.420  -7.104  -6.729
  135   HG12  VAL  18          HG12      VAL  18  -0.412  -8.855  -6.893
  136   HG13  VAL  18          HG13      VAL  18   1.024  -7.922  -7.300
  137   HG21  VAL  18          HG21      VAL  18  -1.245  -7.648  -4.358
  138   HG22  VAL  18          HG22      VAL  18  -0.191  -8.578  -3.295
  139   HG23  VAL  18          HG23      VAL  18  -0.985  -9.364  -4.657
  140    H    CYS  19           HN       CYS  19   3.205  -7.186  -4.784
  141    HA   CYS  19           HA       CYS  19   4.575  -7.300  -7.342
  142    HB2  CYS  19           HB2      CYS  19   5.487  -5.689  -4.964
  143    HB3  CYS  19           HB1      CYS  19   5.583  -5.287  -6.674
  144    H    GLY  20           HN       GLY  20   5.155  -8.540  -4.162
  145    HA2  GLY  20           HA2      GLY  20   6.956  -9.758  -3.270
  146    HA3  GLY  20           HA1      GLY  20   7.163 -10.343  -4.917
  147    H    GLU  21           HN       GLU  21   9.256 -10.093  -5.489
  148    HA   GLU  21           HA       GLU  21  10.937  -8.022  -4.304
  149    HB2  GLU  21           HB2      GLU  21  11.404 -10.083  -6.471
  150    HB3  GLU  21           HB1      GLU  21  12.647  -8.957  -5.924
  151    HG2  GLU  21           HG2      GLU  21  12.316  -9.797  -3.594
  152    HG3  GLU  21           HG1      GLU  21  11.186 -10.996  -4.224
  153    H    ARG  22           HN       ARG  22   8.813  -8.133  -6.952
  154    HA   ARG  22           HA       ARG  22  10.146  -6.547  -8.881
  155    HB2  ARG  22           HB2      ARG  22   7.200  -6.407  -8.178
  156    HB3  ARG  22           HB1      ARG  22   7.937  -5.958  -9.713
  157    HG2  ARG  22           HG2      ARG  22   8.482  -8.220 -10.236
  158    HG3  ARG  22           HG1      ARG  22   8.205  -8.752  -8.588
  159    HD2  ARG  22           HD2      ARG  22   6.005  -9.131  -9.005
  160    HD3  ARG  22           HD1      ARG  22   5.778  -7.511  -9.638
  161    HE   ARG  22           HE       ARG  22   5.870  -9.913 -11.167
  162   HH11  ARG  22          HH21      ARG  22   7.313  -6.776 -11.164
  163   HH12  ARG  22          HH22      ARG  22   7.668  -6.803 -12.858
  164   HH21  ARG  22          HH11      ARG  22   6.322  -9.954 -13.363
  165   HH22  ARG  22          HH12      ARG  22   7.107  -8.598 -14.101
  166    H    GLY  23           HN       GLY  23   8.706  -5.688  -5.807
  167    HA2  GLY  23           HA2      GLY  23   8.943  -3.668  -4.607
  168    HA3  GLY  23           HA1      GLY  23   9.929  -3.041  -5.932
  169    H    PHE  24           HN       PHE  24   7.745  -1.610  -4.596
  170    HA   PHE  24           HA       PHE  24   6.240  -0.895  -7.009
  171    HB2  PHE  24           HB2      PHE  24   4.052  -1.302  -6.071
  172    HB3  PHE  24           HB1      PHE  24   4.981  -2.796  -5.985
  173    HD1  PHE  24           HD1      PHE  24   5.803  -3.663  -3.859
  174    HD2  PHE  24           HD2      PHE  24   3.539  -0.014  -4.034
  175    HE1  PHE  24           HE1      PHE  24   5.455  -3.759  -1.407
  176    HE2  PHE  24           HE2      PHE  24   3.186  -0.124  -1.580
  177    HZ   PHE  24           HZ       PHE  24   4.144  -1.990  -0.273
  178    H    PHE  25           HN       PHE  25   4.656   0.896  -6.436
  179    HA   PHE  25           HA       PHE  25   5.875   2.714  -4.387
  180    HB2  PHE  25           HB2      PHE  25   5.029   4.559  -5.869
  181    HB3  PHE  25           HB1      PHE  25   6.260   3.558  -6.640
  182    HD1  PHE  25           HD1      PHE  25   2.618   4.270  -6.467
  183    HD2  PHE  25           HD2      PHE  25   5.737   2.139  -8.515
  184    HE1  PHE  25           HE1      PHE  25   1.028   3.706  -8.295
  185    HE2  PHE  25           HE2      PHE  25   4.155   1.579 -10.340
  186    HZ   PHE  25           HZ       PHE  25   1.805   2.361 -10.231
  187    H    TYR  26           HN       TYR  26   4.487   3.472  -2.833
  188    HA   TYR  26           HA       TYR  26   1.760   2.474  -2.798
  189    HB2  TYR  26           HB2      TYR  26   3.298   3.087  -0.759
  190    HB3  TYR  26           HB1      TYR  26   2.724   4.733  -1.031
  191    HD1  TYR  26           HD1      TYR  26   1.387   1.229  -0.801
  192    HD2  TYR  26           HD2      TYR  26   0.734   5.393   0.043
  193    HE1  TYR  26           HE1      TYR  26  -0.736   0.679   0.359
  194    HE2  TYR  26           HE2      TYR  26  -1.376   4.830   1.209
  195    HH   TYR  26           HH       TYR  26  -2.556   3.103   2.137
  196    H    THR  27           HN       THR  27  -0.078   4.220  -2.458
  197    HA   THR  27           HA       THR  27  -0.181   5.738  -4.875
  198    HB   THR  27           HB       THR  27  -2.214   4.987  -3.745
  199    HG1  THR  27           HG1      THR  27  -1.933   7.799  -3.826
  200   HG21  THR  27          HG21      THR  27  -1.453   7.001  -1.609
  201   HG22  THR  27          HG22      THR  27  -1.452   5.250  -1.424
  202   HG23  THR  27          HG23      THR  27  -2.968   6.103  -1.678
  203    H    ASP  28           HN       ASP  28  -0.735   8.217  -4.730
  204    HA   ASP  28           HA       ASP  28   1.543   9.633  -4.273
  205    HB2  ASP  28           HB2      ASP  28  -1.167  10.269  -4.836
  206    HB3  ASP  28           HB1      ASP  28  -0.676  11.367  -3.550
  207    HA   PRO  29           HA       PRO  29   2.008   9.856   0.186
  208    HB2  PRO  29           HB2      PRO  29   3.688  12.049   0.358
  209    HB3  PRO  29           HB1      PRO  29   4.230  10.440  -0.141
  210    HG2  PRO  29           HG2      PRO  29   3.737  12.863  -1.817
  211    HG3  PRO  29           HG1      PRO  29   4.866  11.528  -2.086
  212    HD2  PRO  29           HD2      PRO  29   2.387  11.842  -3.390
  213    HD3  PRO  29           HD1      PRO  29   3.340  10.343  -3.305
  214    H    THR  30           HN       THR  30   0.454  12.248  -1.661
  215    HA   THR  30           HA       THR  30   0.171  14.432   0.069
  216    HB   THR  30           HB       THR  30  -1.848  14.972  -1.155
  217    HG1  THR  30           HG1      THR  30  -2.571  12.673  -0.963
  218   HG21  THR  30          HG21      THR  30  -1.002  14.738  -3.452
  219   HG22  THR  30          HG22      THR  30   0.116  13.483  -2.922
  220   HG23  THR  30          HG23      THR  30   0.315  15.138  -2.351
  221    H    GLY  31           HN       GLY  31  -1.714  11.409   0.087
  222    HA2  GLY  31           HA2      GLY  31  -2.993  10.484   1.833
  223    HA3  GLY  31           HA1      GLY  31  -2.221  11.644   2.909
  224    H    GLY  32           HN       GLY  32  -3.307  13.776   0.860
  225    HA2  GLY  32           HA2      GLY  32  -5.910  14.099   2.270
  226    HA3  GLY  32           HA1      GLY  32  -5.062  15.362   1.374
  227    H    GLY  33           HN       GLY  33  -4.615  13.098  -0.702
  228    HA2  GLY  33           HA2      GLY  33  -7.142  12.380  -1.807
  229    HA3  GLY  33           HA1      GLY  33  -6.586  13.870  -2.578
  230    HA   PRO  34           HA       PRO  34  -3.016  10.842  -3.528
  231    HB2  PRO  34           HB2      PRO  34  -3.226   8.280  -2.460
  232    HB3  PRO  34           HB1      PRO  34  -2.334   9.599  -1.702
  233    HG2  PRO  34           HG2      PRO  34  -5.007   8.476  -1.007
  234    HG3  PRO  34           HG1      PRO  34  -3.804   9.236   0.050
  235    HD2  PRO  34           HD2      PRO  34  -6.124  10.501  -0.859
  236    HD3  PRO  34           HD1      PRO  34  -4.664  11.339  -0.293
  237    H    ARG  35           HN       ARG  35  -2.891   8.504  -4.695
  238    HA   ARG  35           HA       ARG  35  -4.845   8.475  -6.764
  239    HB2  ARG  35           HB2      ARG  35  -2.462   7.385  -6.637
  240    HB3  ARG  35           HB1      ARG  35  -3.308   6.002  -5.950
  241    HG2  ARG  35           HG2      ARG  35  -4.766   5.893  -7.921
  242    HG3  ARG  35           HG1      ARG  35  -3.945   7.285  -8.624
  243    HD2  ARG  35           HD2      ARG  35  -1.784   5.744  -8.173
  244    HD3  ARG  35           HD1      ARG  35  -2.977   4.458  -8.335
  245    HE   ARG  35           HE       ARG  35  -1.809   5.878 -10.483
  246   HH11  ARG  35          HH21      ARG  35  -4.963   5.036  -9.349
  247   HH12  ARG  35          HH22      ARG  35  -5.719   5.310 -10.878
  248   HH21  ARG  35          HH11      ARG  35  -2.783   6.209 -12.475
  249   HH22  ARG  35          HH12      ARG  35  -4.489   5.962 -12.647
  250    H    ARG  36           HN       ARG  36  -6.902   8.494  -5.616
  251    HA   ARG  36           HA       ARG  36  -7.689   6.534  -3.704
  252    HB2  ARG  36           HB2      ARG  36  -9.613   7.696  -5.725
  253    HB3  ARG  36           HB1      ARG  36  -9.900   7.303  -4.029
  254    HG2  ARG  36           HG2      ARG  36  -8.246   9.102  -3.415
  255    HG3  ARG  36           HG1      ARG  36  -8.211   9.568  -5.110
  256    HD2  ARG  36           HD2      ARG  36 -10.568   9.633  -3.226
  257    HD3  ARG  36           HD1      ARG  36  -9.818  11.003  -4.035
  258    HE   ARG  36           HE       ARG  36 -11.928   9.346  -5.066
  259   HH11  ARG  36          HH21      ARG  36  -8.964  10.817  -6.062
  260   HH12  ARG  36          HH22      ARG  36  -9.322  10.674  -7.749
  261   HH21  ARG  36          HH11      ARG  36 -12.403   9.179  -7.247
  262   HH22  ARG  36          HH12      ARG  36 -11.265   9.757  -8.418
  263    H    GLY  37           HN       GLY  37  -6.779   6.153  -6.869
  264    HA2  GLY  37           HA2      GLY  37  -8.636   4.140  -7.756
  265    HA3  GLY  37           HA1      GLY  37  -7.038   4.427  -8.437
  266    H    ILE  38           HN       ILE  38  -5.841   4.035  -5.631
  267    HA   ILE  38           HA       ILE  38  -5.850   1.058  -5.778
  268    HB   ILE  38           HB       ILE  38  -3.727   2.772  -5.798
  269   HG12  ILE  38          HG12      ILE  38  -3.327   0.556  -6.424
  270   HG13  ILE  38          HG11      ILE  38  -2.346   0.728  -4.987
  271   HG21  ILE  38          HG21      ILE  38  -2.524   2.607  -3.660
  272   HG22  ILE  38          HG22      ILE  38  -3.928   1.862  -2.911
  273   HG23  ILE  38          HG23      ILE  38  -4.014   3.523  -3.492
  274   HD11  ILE  38          HD11      ILE  38  -4.641  -0.172  -3.854
  275   HD12  ILE  38          HD12      ILE  38  -3.376  -1.238  -4.432
  276   HD13  ILE  38          HD13      ILE  38  -4.782  -0.927  -5.440
  277    H    VAL  39           HN       VAL  39  -5.749   3.577  -3.220
  278    HA   VAL  39           HA       VAL  39  -6.295   1.772  -1.106
  279    HB   VAL  39           HB       VAL  39  -7.165   4.663  -1.103
  280   HG11  VAL  39          HG11      VAL  39  -7.733   3.216   0.839
  281   HG12  VAL  39          HG12      VAL  39  -6.595   4.492   1.272
  282   HG13  VAL  39          HG13      VAL  39  -6.021   2.841   1.035
  283   HG21  VAL  39          HG21      VAL  39  -4.713   4.935  -0.161
  284   HG22  VAL  39          HG22      VAL  39  -4.971   4.911  -1.902
  285   HG23  VAL  39          HG23      VAL  39  -4.393   3.462  -1.080
  286    H    GLU  40           HN       GLU  40  -8.672   4.126  -2.440
  287    HA   GLU  40           HA       GLU  40 -10.900   2.999  -1.129
  288    HB2  GLU  40           HB2      GLU  40 -10.772   4.411  -3.802
  289    HB3  GLU  40           HB1      GLU  40 -12.265   4.062  -2.935
  290    HG2  GLU  40           HG2      GLU  40 -11.267   5.308  -0.953
  291    HG3  GLU  40           HG1      GLU  40  -9.990   5.847  -2.045
  292    H    GLN  41           HN       GLN  41  -9.651   2.234  -4.392
  293    HA   GLN  41           HA       GLN  41 -11.604   0.443  -5.237
  294    HB2  GLN  41           HB2      GLN  41  -9.490   1.138  -6.473
  295    HB3  GLN  41           HB1      GLN  41  -8.645  -0.126  -5.575
  296    HG2  GLN  41           HG2      GLN  41  -9.327  -1.142  -7.627
  297    HG3  GLN  41           HG1      GLN  41 -10.471  -1.719  -6.417
  298   HE21  GLN  41          HE21      GLN  41 -12.405  -1.883  -7.531
  299   HE22  GLN  41          HE22      GLN  41 -13.094  -0.630  -8.433
  300    H    CYS  42           HN       CYS  42  -8.683  -0.500  -3.379
  301    HA   CYS  42           HA       CYS  42  -9.876  -3.128  -2.842
  302    HB2  CYS  42           HB2      CYS  42  -7.296  -1.936  -1.802
  303    HB3  CYS  42           HB1      CYS  42  -7.770  -3.634  -1.763
  304    H    CYS  43           HN       CYS  43  -9.541  -0.082  -1.108
  305    HA   CYS  43           HA       CYS  43 -10.167  -1.335   1.483
  306    HB2  CYS  43           HB2      CYS  43  -8.743   0.683   1.453
  307    HB3  CYS  43           HB1      CYS  43 -10.055   1.598   0.704
  308    H    HIS  44           HN       HIS  44 -11.827   0.955  -0.710
  309    HA   HIS  44           HA       HIS  44 -14.314   0.813   0.744
  310    HB2  HIS  44           HB2      HIS  44 -13.548   2.632  -0.909
  311    HB3  HIS  44           HB1      HIS  44 -14.049   1.524  -2.182
  312    HD2  HIS  44           HD2      HIS  44 -15.636   4.394  -0.675
  313    HE1  HIS  44           HE1      HIS  44 -18.810   1.611  -0.761
  314    HE2  HIS  44           HE2      HIS  44 -18.210   4.067  -0.485
  315    H    SER  45           HN       SER  45 -12.836  -1.127  -1.765
  316    HA   SER  45           HA       SER  45 -15.207  -2.958  -1.665
  317    HB2  SER  45           HB2      SER  45 -15.529  -1.823  -3.740
  318    HB3  SER  45           HB1      SER  45 -13.817  -1.907  -4.135
  319    HG   SER  45           HG       SER  45 -15.792  -3.891  -4.206
  320    H    ILE  46           HN       ILE  46 -14.563  -5.108  -2.759
  321    HA   ILE  46           HA       ILE  46 -11.967  -5.946  -1.601
  322    HB   ILE  46           HB       ILE  46 -13.937  -7.800  -2.947
  323   HG12  ILE  46          HG12      ILE  46 -15.287  -6.334  -1.442
  324   HG13  ILE  46          HG11      ILE  46 -15.223  -7.999  -0.883
  325   HG21  ILE  46          HG21      ILE  46 -11.850  -8.758  -2.164
  326   HG22  ILE  46          HG22      ILE  46 -13.167  -9.305  -1.129
  327   HG23  ILE  46          HG23      ILE  46 -12.074  -8.040  -0.568
  328   HD11  ILE  46          HD11      ILE  46 -14.886  -6.377   0.968
  329   HD12  ILE  46          HD12      ILE  46 -13.449  -5.770   0.153
  330   HD13  ILE  46          HD13      ILE  46 -13.489  -7.428   0.749
  331    H    CYS  47           HN       CYS  47 -10.369  -5.372  -3.093
  332    HA   CYS  47           HA       CYS  47 -10.795  -6.025  -5.961
  333    HB2  CYS  47           HB2      CYS  47  -8.947  -4.638  -6.424
  334    HB3  CYS  47           HB1      CYS  47  -9.731  -3.830  -5.073
  335    H    SER  48           HN       SER  48  -9.531  -7.559  -7.060
  336    HA   SER  48           HA       SER  48  -8.412  -9.681  -5.381
  337    HB2  SER  48           HB2      SER  48  -7.855 -10.633  -7.759
  338    HB3  SER  48           HB1      SER  48  -9.536 -10.542  -7.248
  339    HG   SER  48           HG       SER  48  -9.856  -9.225  -8.841
  340    H    LEU  49           HN       LEU  49  -6.201 -10.569  -5.951
  341    HA   LEU  49           HA       LEU  49  -4.178  -8.633  -5.536
  342    HB2  LEU  49           HB2      LEU  49  -3.788 -11.307  -6.905
  343    HB3  LEU  49           HB1      LEU  49  -2.594 -10.403  -5.981
  344    HG   LEU  49           HG       LEU  49  -5.043 -11.849  -4.949
  345   HD11  LEU  49          HD11      LEU  49  -2.833 -13.053  -5.210
  346   HD12  LEU  49          HD12      LEU  49  -3.437 -13.006  -3.553
  347   HD13  LEU  49          HD13      LEU  49  -2.147 -11.913  -4.052
  348   HD21  LEU  49          HD21      LEU  49  -4.261 -10.909  -2.691
  349   HD22  LEU  49          HD22      LEU  49  -5.133  -9.793  -3.740
  350   HD23  LEU  49          HD23      LEU  49  -3.376  -9.712  -3.632
  351    H    TYR  50           HN       TYR  50  -5.555  -9.995  -8.437
  352    HA   TYR  50           HA       TYR  50  -3.847  -9.298 -10.460
  353    HB2  TYR  50           HB2      TYR  50  -6.286 -10.268 -10.417
  354    HB3  TYR  50           HB1      TYR  50  -6.774  -8.588 -10.648
  355    HD1  TYR  50           HD2      TYR  50  -4.825 -11.365 -11.996
  356    HD2  TYR  50           HD1      TYR  50  -6.427  -7.476 -12.723
  357    HE1  TYR  50           HE2      TYR  50  -4.276 -11.610 -14.416
  358    HE2  TYR  50           HE1      TYR  50  -5.891  -7.689 -15.144
  359    HH   TYR  50           HH       TYR  50  -5.013  -8.979 -16.725
  360    H    GLN  51           HN       GLN  51  -6.367  -7.176  -9.154
  361    HA   GLN  51           HA       GLN  51  -5.547  -4.832 -10.559
  362    HB2  GLN  51           HB2      GLN  51  -6.783  -4.741  -7.802
  363    HB3  GLN  51           HB1      GLN  51  -7.026  -3.651  -9.166
  364    HG2  GLN  51           HG2      GLN  51  -8.017  -5.623 -10.434
  365    HG3  GLN  51           HG1      GLN  51  -8.019  -6.492  -8.902
  366   HE21  GLN  51          HE21      GLN  51  -8.922  -3.163  -9.934
  367   HE22  GLN  51          HE22      GLN  51 -10.426  -3.169  -9.150
  368    H    LEU  52           HN       LEU  52  -4.663  -6.068  -7.349
  369    HA   LEU  52           HA       LEU  52  -2.997  -3.868  -6.645
  370    HB2  LEU  52           HB2      LEU  52  -2.810  -6.777  -5.856
  371    HB3  LEU  52           HB1      LEU  52  -1.911  -5.475  -5.084
  372    HG   LEU  52           HG       LEU  52  -4.934  -5.709  -5.210
  373   HD11  LEU  52          HD11      LEU  52  -4.771  -6.119  -2.835
  374   HD12  LEU  52          HD12      LEU  52  -3.026  -5.880  -2.869
  375   HD13  LEU  52          HD13      LEU  52  -3.745  -7.272  -3.684
  376   HD21  LEU  52          HD21      LEU  52  -3.072  -3.531  -4.357
  377   HD22  LEU  52          HD22      LEU  52  -4.506  -3.792  -3.363
  378   HD23  LEU  52          HD23      LEU  52  -4.672  -3.408  -5.075
  379    H    GLU  53           HN       GLU  53  -2.545  -6.686  -8.616
  380    HA   GLU  53           HA       GLU  53   0.307  -6.425  -8.894
  381    HB2  GLU  53           HB2      GLU  53  -1.662  -8.295  -9.632
  382    HB3  GLU  53           HB1      GLU  53  -1.075  -7.687 -11.177
  383    HG2  GLU  53           HG2      GLU  53   1.313  -8.117 -10.024
  384    HG3  GLU  53           HG1      GLU  53   0.374  -9.255  -9.059
  385    H    ASN  54           HN       ASN  54  -2.276  -4.603  -9.934
  386    HA   ASN  54           HA       ASN  54  -1.261  -3.743 -12.513
  387    HB2  ASN  54           HB2      ASN  54  -3.699  -3.667 -11.556
  388    HB3  ASN  54           HB1      ASN  54  -3.189  -2.153 -10.809
  389   HD21  ASN  54          HD21      ASN  54  -5.167  -2.532 -13.009
  390   HD22  ASN  54          HD22      ASN  54  -4.583  -1.627 -14.318
  391    H    TYR  55           HN       TYR  55  -0.847  -2.743  -9.184
  392    HA   TYR  55           HA       TYR  55   0.654  -0.306 -10.050
  393    HB2  TYR  55           HB2      TYR  55  -0.017  -1.081  -7.210
  394    HB3  TYR  55           HB1      TYR  55   0.339   0.516  -7.855
  395    HD1  TYR  55           HD2      TYR  55  -2.133  -2.192  -7.757
  396    HD2  TYR  55           HD1      TYR  55  -1.345   1.834  -8.937
  397    HE1  TYR  55           HE2      TYR  55  -4.569  -1.859  -8.180
  398    HE2  TYR  55           HE1      TYR  55  -3.764   2.187  -9.373
  399    HH   TYR  55           HH       TYR  55  -5.797   0.420  -9.999
  400    H    CYS  56           HN       CYS  56   1.387  -3.455  -9.661
  401    HA   CYS  56           HA       CYS  56   3.676  -3.206  -7.862
  402    HB2  CYS  56           HB2      CYS  56   2.734  -5.383  -9.733
  403    HB3  CYS  56           HB1      CYS  56   4.237  -5.505  -8.826
  404    H    ASN  57           HN       ASN  57   5.344  -1.940  -8.536
  405    HA   ASN  57           HA       ASN  57   6.978  -1.013  -9.946
  406    HB2  ASN  57           HB2      ASN  57   7.825  -3.322  -9.784
  407    HB3  ASN  57           HB1      ASN  57   6.802  -3.795 -11.140
  408   HD21  ASN  57          HD21      ASN  57   8.308  -0.616 -11.168
  409   HD22  ASN  57          HD22      ASN  57   9.456  -0.964 -12.369
  Start of MODEL   12
    1    H1   PHE   1           HT1      PHE   1  -5.755 -11.793   3.527
    2    H2   PHE   1           HT2      PHE   1  -5.236 -13.190   2.710
    3    H3   PHE   1           HT3      PHE   1  -6.875 -12.746   2.683
    4    HA   PHE   1           HA       PHE   1  -5.868 -10.546   1.674
    5    HB2  PHE   1           HB2      PHE   1  -3.584 -11.723   1.911
    6    HB3  PHE   1           HB1      PHE   1  -4.067 -12.710   0.543
    7    HD1  PHE   1           HD2      PHE   1  -5.631  -9.802  -0.362
    8    HD2  PHE   1           HD1      PHE   1  -1.669 -11.277   0.326
    9    HE1  PHE   1           HE2      PHE   1  -4.731  -8.090  -1.842
   10    HE2  PHE   1           HE1      PHE   1  -0.765  -9.544  -1.163
   11    HZ   PHE   1           HZ       PHE   1  -2.287  -7.942  -2.251
   12    H    VAL   2           HN       VAL   2  -7.955 -12.667   1.659
   13    HA   VAL   2           HA       VAL   2  -8.145 -13.353  -1.237
   14    HB   VAL   2           HB       VAL   2 -10.162 -14.723  -0.239
   15   HG11  VAL   2          HG11      VAL   2  -8.257 -15.873  -1.114
   16   HG12  VAL   2          HG12      VAL   2  -8.494 -16.505   0.515
   17   HG13  VAL   2          HG13      VAL   2  -7.229 -15.316   0.206
   18   HG21  VAL   2          HG21      VAL   2 -10.127 -15.135   2.078
   19   HG22  VAL   2          HG22      VAL   2  -9.785 -13.409   2.008
   20   HG23  VAL   2          HG23      VAL   2  -8.472 -14.554   2.259
   21    H    ASN   3           HN       ASN   3 -10.958 -13.056   0.806
   22    HA   ASN   3           HA       ASN   3 -12.033 -10.977  -1.031
   23    HB2  ASN   3           HB2      ASN   3 -13.573 -12.510   1.070
   24    HB3  ASN   3           HB1      ASN   3 -14.205 -11.672  -0.347
   25   HD21  ASN   3          HD21      ASN   3 -14.583 -12.972  -2.127
   26   HD22  ASN   3          HD22      ASN   3 -13.886 -14.496  -2.395
   27    H    GLN   4           HN       GLN   4 -10.147 -10.489   1.269
   28    HA   GLN   4           HA       GLN   4 -11.873  -8.896   3.091
   29    HB2  GLN   4           HB2      GLN   4  -9.424  -8.503   4.113
   30    HB3  GLN   4           HB1      GLN   4 -10.346  -9.963   4.443
   31    HG2  GLN   4           HG2      GLN   4  -9.179 -11.152   2.643
   32    HG3  GLN   4           HG1      GLN   4  -8.285  -9.685   2.238
   33   HE21  GLN   4          HE21      GLN   4  -8.066 -12.536   4.007
   34   HE22  GLN   4          HE22      GLN   4  -6.863 -12.071   5.108
   35    H    HIS   5           HN       HIS   5 -11.343  -6.671   3.510
   36    HA   HIS   5           HA       HIS   5 -10.544  -5.243   1.042
   37    HB2  HIS   5           HB2      HIS   5 -11.331  -3.240   2.593
   38    HB3  HIS   5           HB1      HIS   5 -12.520  -4.306   1.851
   39    HD2  HIS   5           HD2      HIS   5 -11.164  -3.436   5.411
   40    HE1  HIS   5           HE1      HIS   5 -14.116  -6.425   5.862
   41    HE2  HIS   5           HE2      HIS   5 -12.625  -4.775   7.095
   42    H    LEU   6           HN       LEU   6  -8.708  -4.048   0.876
   43    HA   LEU   6           HA       LEU   6  -6.777  -4.116   3.142
   44    HB2  LEU   6           HB2      LEU   6  -6.590  -3.809   0.166
   45    HB3  LEU   6           HB1      LEU   6  -5.343  -3.068   1.134
   46    HG   LEU   6           HG       LEU   6  -4.479  -5.101   1.863
   47   HD11  LEU   6          HD11      LEU   6  -5.906  -7.283   1.512
   48   HD12  LEU   6          HD12      LEU   6  -7.259  -6.160   1.543
   49   HD13  LEU   6          HD13      LEU   6  -6.172  -6.270   2.925
   50   HD21  LEU   6          HD21      LEU   6  -4.524  -6.663  -0.083
   51   HD22  LEU   6          HD22      LEU   6  -4.140  -5.015  -0.533
   52   HD23  LEU   6          HD23      LEU   6  -5.752  -5.672  -0.827
   53    H    CYS   7           HN       CYS   7  -6.176  -2.248   4.183
   54    HA   CYS   7           HA       CYS   7  -6.746   0.369   2.954
   55    HB2  CYS   7           HB2      CYS   7  -8.744  -0.676   4.451
   56    HB3  CYS   7           HB1      CYS   7  -7.814   0.094   5.733
   57    H    GLY   8           HN       GLY   8  -5.038   1.640   3.387
   58    HA2  GLY   8           HA2      GLY   8  -3.225   2.594   4.557
   59    HA3  GLY   8           HA1      GLY   8  -3.813   1.787   6.011
   60    H    SER   9           HN       SER   9  -1.778   1.010   6.666
   61    HA   SER   9           HA       SER   9   0.237  -0.175   5.151
   62    HB2  SER   9           HB2      SER   9  -0.667  -1.225   7.844
   63    HB3  SER   9           HB1      SER   9   0.953  -1.299   7.156
   64    HG   SER   9           HG       SER   9   0.143   0.521   8.718
   65    H    ASP  10           HN       ASP  10  -2.854  -1.614   6.107
   66    HA   ASP  10           HA       ASP  10  -2.356  -4.330   5.648
   67    HB2  ASP  10           HB2      ASP  10  -4.741  -2.559   5.193
   68    HB3  ASP  10           HB1      ASP  10  -4.810  -4.217   4.609
   69    H    LEU  11           HN       LEU  11  -3.232  -1.861   3.224
   70    HA   LEU  11           HA       LEU  11  -3.100  -3.523   0.952
   71    HB2  LEU  11           HB2      LEU  11  -3.975  -1.257   0.761
   72    HB3  LEU  11           HB1      LEU  11  -2.434  -0.578   1.267
   73    HG   LEU  11           HG       LEU  11  -1.359  -1.317  -0.767
   74   HD11  LEU  11          HD11      LEU  11  -3.949  -2.782  -1.243
   75   HD12  LEU  11          HD12      LEU  11  -2.319  -3.454  -1.156
   76   HD13  LEU  11          HD13      LEU  11  -2.785  -2.452  -2.517
   77   HD21  LEU  11          HD21      LEU  11  -2.674   0.766  -0.949
   78   HD22  LEU  11          HD22      LEU  11  -4.092  -0.175  -1.415
   79   HD23  LEU  11          HD23      LEU  11  -2.681  -0.125  -2.471
   80    H    VAL  12           HN       VAL  12  -0.520  -1.420   2.273
   81    HA   VAL  12           HA       VAL  12   1.568  -2.072   0.565
   82    HB   VAL  12           HB       VAL  12   1.890  -1.908   3.573
   83   HG11  VAL  12          HG11      VAL  12   4.092  -1.174   3.109
   84   HG12  VAL  12          HG12      VAL  12   3.724  -0.856   1.416
   85   HG13  VAL  12          HG13      VAL  12   3.848  -2.516   1.994
   86   HG21  VAL  12          HG21      VAL  12   0.477  -0.049   2.799
   87   HG22  VAL  12          HG22      VAL  12   1.639   0.314   1.525
   88   HG23  VAL  12          HG23      VAL  12   2.084   0.543   3.213
   89    H    GLU  13           HN       GLU  13   1.146  -3.751   3.706
   90    HA   GLU  13           HA       GLU  13   2.905  -5.867   3.261
   91    HB2  GLU  13           HB2      GLU  13   0.192  -6.115   4.594
   92    HB3  GLU  13           HB1      GLU  13   1.589  -7.159   4.856
   93    HG2  GLU  13           HG2      GLU  13   2.863  -5.283   5.771
   94    HG3  GLU  13           HG1      GLU  13   1.525  -4.184   5.438
   95    H    ALA  14           HN       ALA  14  -0.272  -5.362   1.872
   96    HA   ALA  14           HA       ALA  14  -0.442  -8.084   0.813
   97    HB1  ALA  14           HB1      ALA  14  -2.610  -7.483   0.681
   98    HB2  ALA  14           HB2      ALA  14  -2.214  -6.345  -0.611
   99    HB3  ALA  14           HB3      ALA  14  -2.201  -5.816   1.066
  100    H    LEU  15           HN       LEU  15   0.053  -4.845  -0.729
  101    HA   LEU  15           HA       LEU  15   0.573  -5.811  -3.306
  102    HB2  LEU  15           HB2      LEU  15   1.783  -3.474  -1.833
  103    HB3  LEU  15           HB1      LEU  15   2.211  -3.839  -3.500
  104    HG   LEU  15           HG       LEU  15  -0.705  -3.612  -2.766
  105   HD11  LEU  15          HD11      LEU  15  -0.716  -1.247  -3.054
  106   HD12  LEU  15          HD12      LEU  15   0.949  -1.226  -3.628
  107   HD13  LEU  15          HD13      LEU  15   0.607  -1.546  -1.931
  108   HD21  LEU  15          HD21      LEU  15  -0.910  -2.938  -5.092
  109   HD22  LEU  15          HD22      LEU  15   0.063  -4.403  -5.032
  110   HD23  LEU  15          HD23      LEU  15   0.839  -2.841  -5.259
  111    H    TYR  16           HN       TYR  16   2.666  -5.755  -0.467
  112    HA   TYR  16           HA       TYR  16   5.146  -6.338  -1.607
  113    HB2  TYR  16           HB2      TYR  16   4.899  -5.966   0.775
  114    HB3  TYR  16           HB1      TYR  16   3.957  -7.444   0.942
  115    HD1  TYR  16           HD2      TYR  16   7.233  -6.353  -0.550
  116    HD2  TYR  16           HD1      TYR  16   5.108  -9.320   1.703
  117    HE1  TYR  16           HE2      TYR  16   9.331  -7.646  -0.278
  118    HE2  TYR  16           HE1      TYR  16   7.204 -10.619   1.979
  119    HH   TYR  16           HH       TYR  16   9.347 -10.869   1.016
  120    H    LEU  17           HN       LEU  17   2.612  -8.768  -0.770
  121    HA   LEU  17           HA       LEU  17   4.175 -10.958  -1.851
  122    HB2  LEU  17           HB2      LEU  17   1.158 -10.787  -1.571
  123    HB3  LEU  17           HB1      LEU  17   2.098 -12.243  -1.808
  124    HG   LEU  17           HG       LEU  17   3.299 -11.713   0.362
  125   HD11  LEU  17          HD11      LEU  17   2.921  -9.511   0.931
  126   HD12  LEU  17          HD12      LEU  17   1.620 -10.247   1.852
  127   HD13  LEU  17          HD13      LEU  17   1.283  -9.497   0.297
  128   HD21  LEU  17          HD21      LEU  17   0.359 -12.390   0.174
  129   HD22  LEU  17          HD22      LEU  17   1.172 -12.369   1.737
  130   HD23  LEU  17          HD23      LEU  17   1.722 -13.466   0.472
  131    H    VAL  18           HN       VAL  18   1.406  -9.095  -3.073
  132    HA   VAL  18           HA       VAL  18   1.111 -10.258  -5.595
  133    HB   VAL  18           HB       VAL  18   0.936  -7.310  -4.950
  134   HG11  VAL  18          HG11      VAL  18  -0.755  -7.341  -6.769
  135   HG12  VAL  18          HG12      VAL  18  -0.290  -9.006  -7.114
  136   HG13  VAL  18          HG13      VAL  18   0.877  -7.704  -7.304
  137   HG21  VAL  18          HG21      VAL  18  -1.399  -7.719  -4.448
  138   HG22  VAL  18          HG22      VAL  18  -0.413  -8.773  -3.436
  139   HG23  VAL  18          HG23      VAL  18  -1.221  -9.422  -4.862
  140    H    CYS  19           HN       CYS  19   3.051  -7.342  -4.912
  141    HA   CYS  19           HA       CYS  19   4.352  -7.469  -7.505
  142    HB2  CYS  19           HB2      CYS  19   5.344  -5.892  -5.136
  143    HB3  CYS  19           HB1      CYS  19   5.453  -5.494  -6.843
  144    H    GLY  20           HN       GLY  20   4.995  -8.739  -4.342
  145    HA2  GLY  20           HA2      GLY  20   6.769 -10.039  -3.524
  146    HA3  GLY  20           HA1      GLY  20   6.963 -10.559  -5.196
  147    H    GLU  21           HN       GLU  21   9.128 -10.399  -5.580
  148    HA   GLU  21           HA       GLU  21  10.783  -8.320  -4.402
  149    HB2  GLU  21           HB2      GLU  21  11.295 -10.365  -6.577
  150    HB3  GLU  21           HB1      GLU  21  12.529  -9.264  -5.962
  151    HG2  GLU  21           HG2      GLU  21  12.076 -10.148  -3.656
  152    HG3  GLU  21           HG1      GLU  21  10.996 -11.342  -4.378
  153    H    ARG  22           HN       ARG  22   8.727  -8.431  -7.108
  154    HA   ARG  22           HA       ARG  22  10.109  -6.863  -9.007
  155    HB2  ARG  22           HB2      ARG  22   7.153  -6.642  -8.368
  156    HB3  ARG  22           HB1      ARG  22   7.935  -6.268  -9.901
  157    HG2  ARG  22           HG2      ARG  22   8.404  -8.553 -10.352
  158    HG3  ARG  22           HG1      ARG  22   8.110  -9.034  -8.693
  159    HD2  ARG  22           HD2      ARG  22   5.896  -9.345  -9.086
  160    HD3  ARG  22           HD1      ARG  22   5.724  -7.757  -9.812
  161    HE   ARG  22           HE       ARG  22   5.766 -10.250 -11.201
  162   HH11  ARG  22          HH21      ARG  22   7.267  -7.144 -11.361
  163   HH12  ARG  22          HH22      ARG  22   7.634  -7.272 -13.049
  164   HH21  ARG  22          HH11      ARG  22   6.236 -10.425 -13.389
  165   HH22  ARG  22          HH12      ARG  22   7.052  -9.128 -14.195
  166    H    GLY  23           HN       GLY  23   8.645  -5.988  -5.959
  167    HA2  GLY  23           HA2      GLY  23   8.913  -3.987  -4.737
  168    HA3  GLY  23           HA1      GLY  23   9.923  -3.368  -6.046
  169    H    PHE  24           HN       PHE  24   7.772  -1.909  -4.701
  170    HA   PHE  24           HA       PHE  24   6.298  -1.103  -7.103
  171    HB2  PHE  24           HB2      PHE  24   4.095  -1.462  -6.184
  172    HB3  PHE  24           HB1      PHE  24   4.972  -2.987  -6.119
  173    HD1  PHE  24           HD1      PHE  24   5.762  -3.909  -3.995
  174    HD2  PHE  24           HD2      PHE  24   3.604  -0.195  -4.133
  175    HE1  PHE  24           HE1      PHE  24   5.399  -4.026  -1.548
  176    HE2  PHE  24           HE2      PHE  24   3.236  -0.327  -1.682
  177    HZ   PHE  24           HZ       PHE  24   4.134  -2.238  -0.396
  178    H    PHE  25           HN       PHE  25   4.761   0.724  -6.481
  179    HA   PHE  25           HA       PHE  25   6.034   2.454  -4.388
  180    HB2  PHE  25           HB2      PHE  25   5.301   4.364  -5.814
  181    HB3  PHE  25           HB1      PHE  25   6.435   3.305  -6.655
  182    HD1  PHE  25           HD1      PHE  25   2.816   4.121  -6.261
  183    HD2  PHE  25           HD2      PHE  25   5.795   2.119  -8.624
  184    HE1  PHE  25           HE1      PHE  25   1.131   3.727  -8.045
  185    HE2  PHE  25           HE2      PHE  25   4.117   1.729 -10.407
  186    HZ   PHE  25           HZ       PHE  25   1.788   2.531 -10.118
  187    H    TYR  26           HN       TYR  26   4.645   3.441  -2.925
  188    HA   TYR  26           HA       TYR  26   1.892   2.437  -2.859
  189    HB2  TYR  26           HB2      TYR  26   3.474   2.966  -0.821
  190    HB3  TYR  26           HB1      TYR  26   2.919   4.625  -1.043
  191    HD1  TYR  26           HD1      TYR  26   1.556   1.128  -0.856
  192    HD2  TYR  26           HD2      TYR  26   0.931   5.288   0.038
  193    HE1  TYR  26           HE1      TYR  26  -0.561   0.576   0.314
  194    HE2  TYR  26           HE2      TYR  26  -1.177   4.722   1.208
  195    HH   TYR  26           HH       TYR  26  -2.142   2.685   2.368
  196    H    THR  27           HN       THR  27   0.106   4.189  -2.485
  197    HA   THR  27           HA       THR  27   0.020   5.810  -4.840
  198    HB   THR  27           HB       THR  27  -2.020   4.998  -3.768
  199    HG1  THR  27           HG1      THR  27  -1.572   7.378  -4.670
  200   HG21  THR  27          HG21      THR  27  -1.264   5.132  -1.436
  201   HG22  THR  27          HG22      THR  27  -2.780   5.992  -1.640
  202   HG23  THR  27          HG23      THR  27  -1.269   6.889  -1.517
  203    H    ASP  28           HN       ASP  28  -0.563   8.266  -4.581
  204    HA   ASP  28           HA       ASP  28   1.672   9.725  -4.063
  205    HB2  ASP  28           HB2      ASP  28  -1.146  10.296  -4.399
  206    HB3  ASP  28           HB1      ASP  28  -0.458  11.450  -3.264
  207    HA   PRO  29           HA       PRO  29   2.203   9.728   0.392
  208    HB2  PRO  29           HB2      PRO  29   3.775  11.987   0.673
  209    HB3  PRO  29           HB1      PRO  29   4.384  10.443   0.058
  210    HG2  PRO  29           HG2      PRO  29   3.721  12.939  -1.447
  211    HG3  PRO  29           HG1      PRO  29   4.922  11.696  -1.817
  212    HD2  PRO  29           HD2      PRO  29   2.415  11.937  -3.067
  213    HD3  PRO  29           HD1      PRO  29   3.446  10.489  -3.077
  214    H    THR  30           HN       THR  30   0.480  12.161  -1.249
  215    HA   THR  30           HA       THR  30   0.147  14.207   0.630
  216    HB   THR  30           HB       THR  30  -1.961  14.702  -0.478
  217    HG1  THR  30           HG1      THR  30  -2.904  12.708  -0.575
  218   HG21  THR  30          HG21      THR  30  -1.168  14.629  -2.841
  219   HG22  THR  30          HG22      THR  30   0.122  13.534  -2.348
  220   HG23  THR  30          HG23      THR  30   0.083  15.184  -1.728
  221    H    GLY  31           HN       GLY  31  -1.584  11.094   0.522
  222    HA2  GLY  31           HA2      GLY  31  -2.745   9.998   2.253
  223    HA3  GLY  31           HA1      GLY  31  -1.992  11.130   3.369
  224    H    GLY  32           HN       GLY  32  -3.279  13.319   1.497
  225    HA2  GLY  32           HA2      GLY  32  -5.830  13.409   3.034
  226    HA3  GLY  32           HA1      GLY  32  -5.092  14.770   2.187
  227    H    GLY  33           HN       GLY  33  -4.602  12.817  -0.107
  228    HA2  GLY  33           HA2      GLY  33  -7.143  11.971  -1.132
  229    HA3  GLY  33           HA1      GLY  33  -6.719  13.548  -1.806
  230    HA   PRO  34           HA       PRO  34  -2.998  10.854  -3.124
  231    HB2  PRO  34           HB2      PRO  34  -3.052   8.193  -2.284
  232    HB3  PRO  34           HB1      PRO  34  -2.155   9.479  -1.478
  233    HG2  PRO  34           HG2      PRO  34  -4.723   8.186  -0.698
  234    HG3  PRO  34           HG1      PRO  34  -3.497   8.949   0.329
  235    HD2  PRO  34           HD2      PRO  34  -5.938  10.127  -0.355
  236    HD3  PRO  34           HD1      PRO  34  -4.495  11.011   0.186
  237    H    ARG  35           HN       ARG  35  -2.790   8.586  -4.469
  238    HA   ARG  35           HA       ARG  35  -4.731   8.668  -6.526
  239    HB2  ARG  35           HB2      ARG  35  -2.349   7.543  -6.436
  240    HB3  ARG  35           HB1      ARG  35  -3.230   6.124  -5.875
  241    HG2  ARG  35           HG2      ARG  35  -4.724   6.356  -7.900
  242    HG3  ARG  35           HG1      ARG  35  -3.622   7.601  -8.490
  243    HD2  ARG  35           HD2      ARG  35  -1.776   6.036  -8.541
  244    HD3  ARG  35           HD1      ARG  35  -2.744   4.794  -7.746
  245    HE   ARG  35           HE       ARG  35  -4.179   5.397 -10.044
  246   HH11  ARG  35          HH21      ARG  35  -0.948   4.473  -9.270
  247   HH12  ARG  35          HH22      ARG  35  -0.688   3.637 -10.765
  248   HH21  ARG  35          HH11      ARG  35  -3.858   4.307 -11.998
  249   HH22  ARG  35          HH12      ARG  35  -2.335   3.543 -12.308
  250    H    ARG  36           HN       ARG  36  -6.800   8.625  -5.441
  251    HA   ARG  36           HA       ARG  36  -7.642   6.598  -3.641
  252    HB2  ARG  36           HB2      ARG  36  -9.979   7.184  -4.689
  253    HB3  ARG  36           HB1      ARG  36  -9.105   8.429  -3.793
  254    HG2  ARG  36           HG2      ARG  36  -8.364   9.503  -5.763
  255    HG3  ARG  36           HG1      ARG  36  -8.732   8.101  -6.767
  256    HD2  ARG  36           HD2      ARG  36 -10.441   9.799  -7.131
  257    HD3  ARG  36           HD1      ARG  36 -11.163   8.443  -6.265
  258    HE   ARG  36           HE       ARG  36 -10.364  10.147  -4.240
  259   HH11  ARG  36          HH21      ARG  36 -12.222  10.418  -7.132
  260   HH12  ARG  36          HH22      ARG  36 -13.251  11.664  -6.511
  261   HH21  ARG  36          HH11      ARG  36 -11.696  11.776  -3.415
  262   HH22  ARG  36          HH12      ARG  36 -12.953  12.433  -4.407
  263    H    GLY  37           HN       GLY  37  -6.560   6.223  -6.738
  264    HA2  GLY  37           HA2      GLY  37  -8.448   4.278  -7.740
  265    HA3  GLY  37           HA1      GLY  37  -6.829   4.564  -8.374
  266    H    ILE  38           HN       ILE  38  -5.669   4.115  -5.584
  267    HA   ILE  38           HA       ILE  38  -5.738   1.141  -5.744
  268    HB   ILE  38           HB       ILE  38  -3.579   2.813  -5.754
  269   HG12  ILE  38          HG12      ILE  38  -3.206   0.602  -6.404
  270   HG13  ILE  38          HG11      ILE  38  -2.241   0.728  -4.951
  271   HG21  ILE  38          HG21      ILE  38  -3.800   1.881  -2.877
  272   HG22  ILE  38          HG22      ILE  38  -3.850   3.549  -3.443
  273   HG23  ILE  38          HG23      ILE  38  -2.379   2.604  -3.620
  274   HD11  ILE  38          HD11      ILE  38  -4.704  -0.868  -5.465
  275   HD12  ILE  38          HD12      ILE  38  -4.570  -0.142  -3.864
  276   HD13  ILE  38          HD13      ILE  38  -3.319  -1.226  -4.443
  277    H    VAL  39           HN       VAL  39  -5.603   3.656  -3.178
  278    HA   VAL  39           HA       VAL  39  -6.208   1.839  -1.077
  279    HB   VAL  39           HB       VAL  39  -6.999   4.750  -1.001
  280   HG11  VAL  39          HG11      VAL  39  -6.416   4.547   1.336
  281   HG12  VAL  39          HG12      VAL  39  -5.722   2.946   1.075
  282   HG13  VAL  39          HG13      VAL  39  -7.463   3.187   0.928
  283   HG21  VAL  39          HG21      VAL  39  -4.513   4.993  -0.178
  284   HG22  VAL  39          HG22      VAL  39  -4.843   4.967  -1.908
  285   HG23  VAL  39          HG23      VAL  39  -4.242   3.515  -1.105
  286    H    GLU  40           HN       GLU  40  -8.486   4.293  -2.404
  287    HA   GLU  40           HA       GLU  40 -10.764   3.245  -1.111
  288    HB2  GLU  40           HB2      GLU  40 -10.711   4.543  -3.844
  289    HB3  GLU  40           HB1      GLU  40 -12.092   4.446  -2.753
  290    HG2  GLU  40           HG2      GLU  40 -10.630   5.675  -1.040
  291    HG3  GLU  40           HG1      GLU  40  -9.536   6.016  -2.381
  292    H    GLN  41           HN       GLN  41  -9.515   2.446  -4.363
  293    HA   GLN  41           HA       GLN  41 -11.518   0.721  -5.234
  294    HB2  GLN  41           HB2      GLN  41  -9.390   1.347  -6.461
  295    HB3  GLN  41           HB1      GLN  41  -8.567   0.087  -5.538
  296    HG2  GLN  41           HG2      GLN  41  -9.244  -0.942  -7.589
  297    HG3  GLN  41           HG1      GLN  41 -10.392  -1.503  -6.374
  298   HE21  GLN  41          HE21      GLN  41 -12.187  -1.777  -7.765
  299   HE22  GLN  41          HE22      GLN  41 -12.932  -0.483  -8.560
  300    H    CYS  42           HN       CYS  42  -8.639  -0.310  -3.370
  301    HA   CYS  42           HA       CYS  42  -9.895  -2.907  -2.840
  302    HB2  CYS  42           HB2      CYS  42  -7.281  -1.744  -1.854
  303    HB3  CYS  42           HB1      CYS  42  -7.796  -3.423  -1.705
  304    H    CYS  43           HN       CYS  43  -9.433   0.110  -1.071
  305    HA   CYS  43           HA       CYS  43 -10.132  -1.146   1.497
  306    HB2  CYS  43           HB2      CYS  43  -8.599   0.807   1.470
  307    HB3  CYS  43           HB1      CYS  43  -9.891   1.796   0.783
  308    H    HIS  44           HN       HIS  44 -11.666   1.254  -0.671
  309    HA   HIS  44           HA       HIS  44 -14.165   1.201   0.772
  310    HB2  HIS  44           HB2      HIS  44 -13.297   3.006  -0.873
  311    HB3  HIS  44           HB1      HIS  44 -13.885   1.940  -2.149
  312    HD2  HIS  44           HD2      HIS  44 -16.804   1.254  -1.674
  313    HE1  HIS  44           HE1      HIS  44 -17.485   4.988   0.182
  314    HE2  HIS  44           HE2      HIS  44 -18.597   2.956  -0.866
  315    H    SER  45           HN       SER  45 -12.756  -0.743  -1.764
  316    HA   SER  45           HA       SER  45 -15.185  -2.492  -1.706
  317    HB2  SER  45           HB2      SER  45 -13.701  -2.002  -4.285
  318    HB3  SER  45           HB1      SER  45 -15.325  -2.641  -4.046
  319    HG   SER  45           HG       SER  45 -15.026  -0.174  -2.955
  320    H    ILE  46           HN       ILE  46 -14.700  -4.724  -2.303
  321    HA   ILE  46           HA       ILE  46 -12.038  -5.536  -1.396
  322    HB   ILE  46           HB       ILE  46 -14.157  -7.362  -2.553
  323   HG12  ILE  46          HG12      ILE  46 -15.139  -5.774  -0.779
  324   HG13  ILE  46          HG11      ILE  46 -15.302  -7.493  -0.470
  325   HG21  ILE  46          HG21      ILE  46 -13.185  -8.907  -0.828
  326   HG22  ILE  46          HG22      ILE  46 -11.961  -7.683  -0.490
  327   HG23  ILE  46          HG23      ILE  46 -12.051  -8.426  -2.086
  328   HD11  ILE  46          HD11      ILE  46 -12.829  -6.288   0.636
  329   HD12  ILE  46          HD12      ILE  46 -13.960  -7.424   1.363
  330   HD13  ILE  46          HD13      ILE  46 -14.332  -5.703   1.347
  331    H    CYS  47           HN       CYS  47 -10.507  -5.042  -2.990
  332    HA   CYS  47           HA       CYS  47 -11.093  -5.725  -5.809
  333    HB2  CYS  47           HB2      CYS  47  -9.098  -4.559  -6.359
  334    HB3  CYS  47           HB1      CYS  47  -9.832  -3.620  -5.063
  335    H    SER  48           HN       SER  48  -9.455  -7.020  -7.031
  336    HA   SER  48           HA       SER  48  -8.650  -9.396  -5.431
  337    HB2  SER  48           HB2      SER  48  -8.172 -10.270  -7.855
  338    HB3  SER  48           HB1      SER  48  -9.839 -10.106  -7.322
  339    HG   SER  48           HG       SER  48  -9.825  -8.017  -8.320
  340    H    LEU  49           HN       LEU  49  -6.504 -10.379  -6.070
  341    HA   LEU  49           HA       LEU  49  -4.365  -8.566  -5.620
  342    HB2  LEU  49           HB2      LEU  49  -4.164 -11.242  -7.025
  343    HB3  LEU  49           HB1      LEU  49  -2.892 -10.422  -6.127
  344    HG   LEU  49           HG       LEU  49  -5.394 -11.732  -5.045
  345   HD11  LEU  49          HD11      LEU  49  -3.262 -13.052  -5.367
  346   HD12  LEU  49          HD12      LEU  49  -3.823 -12.989  -3.697
  347   HD13  LEU  49          HD13      LEU  49  -2.486 -11.963  -4.217
  348   HD21  LEU  49          HD21      LEU  49  -3.579  -9.704  -3.741
  349   HD22  LEU  49          HD22      LEU  49  -4.517 -10.860  -2.797
  350   HD23  LEU  49          HD23      LEU  49  -5.340  -9.683  -3.815
  351    H    TYR  50           HN       TYR  50  -5.864  -9.779  -8.516
  352    HA   TYR  50           HA       TYR  50  -4.125  -9.180 -10.546
  353    HB2  TYR  50           HB2      TYR  50  -6.633  -9.980 -10.487
  354    HB3  TYR  50           HB1      TYR  50  -6.994  -8.270 -10.728
  355    HD1  TYR  50           HD2      TYR  50  -5.234 -11.184 -12.054
  356    HD2  TYR  50           HD1      TYR  50  -6.584  -7.208 -12.814
  357    HE1  TYR  50           HE2      TYR  50  -4.709 -11.487 -14.472
  358    HE2  TYR  50           HE1      TYR  50  -6.069  -7.477 -15.235
  359    HH   TYR  50           HH       TYR  50  -5.513  -8.963 -16.842
  360    H    GLN  51           HN       GLN  51  -6.497  -6.896  -9.222
  361    HA   GLN  51           HA       GLN  51  -5.490  -4.624 -10.632
  362    HB2  GLN  51           HB2      GLN  51  -6.825  -4.530  -7.913
  363    HB3  GLN  51           HB1      GLN  51  -6.813  -3.286  -9.158
  364    HG2  GLN  51           HG2      GLN  51  -7.940  -5.091 -10.672
  365    HG3  GLN  51           HG1      GLN  51  -8.306  -5.904  -9.151
  366   HE21  GLN  51          HE21      GLN  51 -10.085  -4.389 -11.175
  367   HE22  GLN  51          HE22      GLN  51 -10.945  -3.285 -10.214
  368    H    LEU  52           HN       LEU  52  -4.714  -5.943  -7.432
  369    HA   LEU  52           HA       LEU  52  -2.933  -3.848  -6.674
  370    HB2  LEU  52           HB2      LEU  52  -2.918  -6.775  -5.942
  371    HB3  LEU  52           HB1      LEU  52  -1.957  -5.542  -5.135
  372    HG   LEU  52           HG       LEU  52  -4.987  -5.631  -5.280
  373   HD11  LEU  52          HD11      LEU  52  -3.845  -7.248  -3.762
  374   HD12  LEU  52          HD12      LEU  52  -4.857  -6.078  -2.917
  375   HD13  LEU  52          HD13      LEU  52  -3.106  -5.881  -2.925
  376   HD21  LEU  52          HD21      LEU  52  -3.042  -3.538  -4.390
  377   HD22  LEU  52          HD22      LEU  52  -4.501  -3.747  -3.421
  378   HD23  LEU  52          HD23      LEU  52  -4.623  -3.341  -5.131
  379    H    GLU  53           HN       GLU  53  -2.717  -6.495  -8.837
  380    HA   GLU  53           HA       GLU  53   0.182  -6.461  -9.070
  381    HB2  GLU  53           HB2      GLU  53  -1.863  -8.237  -9.757
  382    HB3  GLU  53           HB1      GLU  53  -1.355  -7.621 -11.327
  383    HG2  GLU  53           HG2      GLU  53   0.567  -8.741  -9.264
  384    HG3  GLU  53           HG1      GLU  53  -0.139  -9.697 -10.555
  385    H    ASN  54           HN       ASN  54  -2.301  -4.478 -10.053
  386    HA   ASN  54           HA       ASN  54  -1.230  -3.648 -12.631
  387    HB2  ASN  54           HB2      ASN  54  -3.688  -3.512 -11.658
  388    HB3  ASN  54           HB1      ASN  54  -3.137  -1.975 -10.991
  389   HD21  ASN  54          HD21      ASN  54  -5.154  -2.269 -13.088
  390   HD22  ASN  54          HD22      ASN  54  -4.545  -1.511 -14.476
  391    H    TYR  55           HN       TYR  55  -0.825  -2.715  -9.286
  392    HA   TYR  55           HA       TYR  55   0.659  -0.252 -10.074
  393    HB2  TYR  55           HB2      TYR  55   0.026  -1.211  -7.278
  394    HB3  TYR  55           HB1      TYR  55   0.445   0.419  -7.796
  395    HD1  TYR  55           HD2      TYR  55  -2.144  -2.164  -7.805
  396    HD2  TYR  55           HD1      TYR  55  -1.173   1.852  -8.881
  397    HE1  TYR  55           HE2      TYR  55  -4.563  -1.707  -8.216
  398    HE2  TYR  55           HE1      TYR  55  -3.574   2.326  -9.306
  399    HH   TYR  55           HH       TYR  55  -5.617   1.152  -9.813
  400    H    CYS  56           HN       CYS  56   1.421  -3.433  -9.799
  401    HA   CYS  56           HA       CYS  56   3.851  -3.145  -8.166
  402    HB2  CYS  56           HB2      CYS  56   2.896  -5.409  -9.941
  403    HB3  CYS  56           HB1      CYS  56   4.289  -5.479  -8.871
  404    H    ASN  57           HN       ASN  57   5.515  -2.001  -9.047
  405    HA   ASN  57           HA       ASN  57   7.025  -1.185 -10.654
  406    HB2  ASN  57           HB2      ASN  57   7.852  -3.471 -10.547
  407    HB3  ASN  57           HB1      ASN  57   6.591  -4.016 -11.654
  408   HD21  ASN  57          HD21      ASN  57   9.767  -2.638 -11.478
  409   HD22  ASN  57          HD22      ASN  57   9.978  -2.378 -13.142
  Start of MODEL   13
    1    H1   PHE   1           HT1      PHE   1  -6.821 -12.765   2.824
    2    H2   PHE   1           HT2      PHE   1  -5.549 -12.003   3.653
    3    H3   PHE   1           HT3      PHE   1  -5.248 -13.390   2.718
    4    HA   PHE   1           HA       PHE   1  -5.811 -10.642   1.840
    5    HB2  PHE   1           HB2      PHE   1  -3.491 -11.678   2.144
    6    HB3  PHE   1           HB1      PHE   1  -3.867 -12.717   0.780
    7    HD1  PHE   1           HD2      PHE   1  -5.533  -9.842  -0.178
    8    HD2  PHE   1           HD1      PHE   1  -1.545 -11.233   0.543
    9    HE1  PHE   1           HE2      PHE   1  -4.663  -8.136  -1.675
   10    HE2  PHE   1           HE1      PHE   1  -0.672  -9.499  -0.966
   11    HZ   PHE   1           HZ       PHE   1  -2.222  -7.942  -2.078
   12    H    VAL   2           HN       VAL   2  -7.852 -12.743   1.648
   13    HA   VAL   2           HA       VAL   2  -7.865 -13.414  -1.260
   14    HB   VAL   2           HB       VAL   2  -9.956 -14.773  -0.382
   15   HG11  VAL   2          HG11      VAL   2  -7.864 -15.790  -1.193
   16   HG12  VAL   2          HG12      VAL   2  -8.454 -16.636   0.238
   17   HG13  VAL   2          HG13      VAL   2  -7.111 -15.502   0.376
   18   HG21  VAL   2          HG21      VAL   2 -10.034 -15.214   1.928
   19   HG22  VAL   2          HG22      VAL   2  -9.668 -13.490   1.896
   20   HG23  VAL   2          HG23      VAL   2  -8.382 -14.656   2.193
   21    H    ASN   3           HN       ASN   3 -10.782 -13.126   0.625
   22    HA   ASN   3           HA       ASN   3 -11.747 -11.003  -1.228
   23    HB2  ASN   3           HB2      ASN   3 -13.401 -12.660   0.688
   24    HB3  ASN   3           HB1      ASN   3 -13.967 -11.726  -0.694
   25   HD21  ASN   3          HD21      ASN   3 -14.219 -12.882  -2.595
   26   HD22  ASN   3          HD22      ASN   3 -13.504 -14.384  -2.929
   27    H    GLN   4           HN       GLN   4 -10.026 -10.552   1.178
   28    HA   GLN   4           HA       GLN   4 -11.875  -9.081   2.979
   29    HB2  GLN   4           HB2      GLN   4  -9.462  -8.647   4.092
   30    HB3  GLN   4           HB1      GLN   4 -10.359 -10.137   4.356
   31    HG2  GLN   4           HG2      GLN   4  -9.115 -11.249   2.563
   32    HG3  GLN   4           HG1      GLN   4  -8.250  -9.751   2.212
   33   HE21  GLN   4          HE21      GLN   4  -8.113 -12.624   4.014
   34   HE22  GLN   4          HE22      GLN   4  -6.893 -12.175   5.102
   35    H    HIS   5           HN       HIS   5 -11.336  -6.845   3.551
   36    HA   HIS   5           HA       HIS   5 -10.607  -5.293   1.143
   37    HB2  HIS   5           HB2      HIS   5 -11.478  -3.379   2.512
   38    HB3  HIS   5           HB1      HIS   5 -12.658  -4.661   2.263
   39    HD2  HIS   5           HD2      HIS   5 -13.515  -5.937   4.613
   40    HE1  HIS   5           HE1      HIS   5 -10.926  -3.915   7.270
   41    HE2  HIS   5           HE2      HIS   5 -12.894  -5.517   7.103
   42    H    LEU   6           HN       LEU   6  -8.774  -4.098   0.976
   43    HA   LEU   6           HA       LEU   6  -6.830  -4.143   3.238
   44    HB2  LEU   6           HB2      LEU   6  -6.639  -3.877   0.258
   45    HB3  LEU   6           HB1      LEU   6  -5.410  -3.095   1.217
   46    HG   LEU   6           HG       LEU   6  -4.510  -5.097   1.984
   47   HD11  LEU   6          HD11      LEU   6  -6.176  -6.291   3.054
   48   HD12  LEU   6          HD12      LEU   6  -5.902  -7.312   1.650
   49   HD13  LEU   6          HD13      LEU   6  -7.270  -6.205   1.676
   50   HD21  LEU   6          HD21      LEU   6  -5.756  -5.737  -0.703
   51   HD22  LEU   6          HD22      LEU   6  -4.512  -6.689   0.063
   52   HD23  LEU   6          HD23      LEU   6  -4.162  -5.039  -0.413
   53    H    CYS   7           HN       CYS   7  -6.359  -2.264   4.312
   54    HA   CYS   7           HA       CYS   7  -6.920   0.336   3.020
   55    HB2  CYS   7           HB2      CYS   7  -8.918  -0.710   4.503
   56    HB3  CYS   7           HB1      CYS   7  -8.006   0.068   5.794
   57    H    GLY   8           HN       GLY   8  -5.228   1.639   3.446
   58    HA2  GLY   8           HA2      GLY   8  -3.442   2.635   4.617
   59    HA3  GLY   8           HA1      GLY   8  -4.031   1.841   6.077
   60    H    SER   9           HN       SER   9  -1.947   1.148   6.731
   61    HA   SER   9           HA       SER   9   0.082  -0.043   5.268
   62    HB2  SER   9           HB2      SER   9  -0.861  -1.066   7.959
   63    HB3  SER   9           HB1      SER   9   0.767  -1.170   7.296
   64    HG   SER   9           HG       SER   9   1.079   0.902   7.710
   65    H    ASP  10           HN       ASP  10  -2.996  -1.523   6.199
   66    HA   ASP  10           HA       ASP  10  -2.468  -4.234   5.764
   67    HB2  ASP  10           HB2      ASP  10  -4.861  -2.492   5.237
   68    HB3  ASP  10           HB1      ASP  10  -4.904  -4.169   4.709
   69    H    LEU  11           HN       LEU  11  -3.356  -1.806   3.302
   70    HA   LEU  11           HA       LEU  11  -3.163  -3.497   1.053
   71    HB2  LEU  11           HB2      LEU  11  -4.094  -1.256   0.820
   72    HB3  LEU  11           HB1      LEU  11  -2.575  -0.531   1.330
   73    HG   LEU  11           HG       LEU  11  -1.463  -1.274  -0.683
   74   HD11  LEU  11          HD11      LEU  11  -4.013  -2.805  -1.167
   75   HD12  LEU  11          HD12      LEU  11  -2.370  -3.438  -1.051
   76   HD13  LEU  11          HD13      LEU  11  -2.842  -2.467  -2.432
   77   HD21  LEU  11          HD21      LEU  11  -2.849   0.772  -0.892
   78   HD22  LEU  11          HD22      LEU  11  -4.212  -0.223  -1.403
   79   HD23  LEU  11          HD23      LEU  11  -2.768  -0.123  -2.408
   80    H    VAL  12           HN       VAL  12  -0.649  -1.316   2.372
   81    HA   VAL  12           HA       VAL  12   1.461  -1.928   0.678
   82    HB   VAL  12           HB       VAL  12   1.738  -1.693   3.688
   83   HG11  VAL  12          HG11      VAL  12   3.946  -0.906   3.227
   84   HG12  VAL  12          HG12      VAL  12   3.612  -0.761   1.505
   85   HG13  VAL  12          HG13      VAL  12   3.751  -2.354   2.245
   86   HG21  VAL  12          HG21      VAL  12   0.325   0.122   2.674
   87   HG22  VAL  12          HG22      VAL  12   1.672   0.511   1.607
   88   HG23  VAL  12          HG23      VAL  12   1.840   0.716   3.349
   89    H    GLU  13           HN       GLU  13   1.074  -3.590   3.832
   90    HA   GLU  13           HA       GLU  13   2.891  -5.660   3.411
   91    HB2  GLU  13           HB2      GLU  13   0.193  -5.817   4.788
   92    HB3  GLU  13           HB1      GLU  13   1.467  -7.027   4.939
   93    HG2  GLU  13           HG2      GLU  13   2.993  -5.110   5.693
   94    HG3  GLU  13           HG1      GLU  13   1.523  -4.146   5.854
   95    H    ALA  14           HN       ALA  14  -0.304  -5.265   2.021
   96    HA   ALA  14           HA       ALA  14  -0.393  -7.994   0.984
   97    HB1  ALA  14           HB1      ALA  14  -2.211  -5.769   1.208
   98    HB2  ALA  14           HB2      ALA  14  -2.577  -7.450   0.842
   99    HB3  ALA  14           HB3      ALA  14  -2.207  -6.322  -0.464
  100    H    LEU  15           HN       LEU  15   0.022  -4.764  -0.598
  101    HA   LEU  15           HA       LEU  15   0.564  -5.742  -3.163
  102    HB2  LEU  15           HB2      LEU  15   1.706  -3.365  -1.704
  103    HB3  LEU  15           HB1      LEU  15   2.173  -3.733  -3.360
  104    HG   LEU  15           HG       LEU  15  -0.759  -3.561  -2.666
  105   HD11  LEU  15          HD11      LEU  15   0.879  -1.170  -3.552
  106   HD12  LEU  15          HD12      LEU  15   0.494  -1.456  -1.859
  107   HD13  LEU  15          HD13      LEU  15  -0.800  -1.198  -3.024
  108   HD21  LEU  15          HD21      LEU  15   0.054  -4.382  -4.911
  109   HD22  LEU  15          HD22      LEU  15   0.790  -2.804  -5.159
  110   HD23  LEU  15          HD23      LEU  15  -0.958  -2.945  -5.004
  111    H    TYR  16           HN       TYR  16   2.678  -5.579  -0.340
  112    HA   TYR  16           HA       TYR  16   5.158  -6.120  -1.486
  113    HB2  TYR  16           HB2      TYR  16   4.915  -5.715   0.889
  114    HB3  TYR  16           HB1      TYR  16   4.018  -7.217   1.088
  115    HD1  TYR  16           HD2      TYR  16   7.251  -6.060  -0.451
  116    HD2  TYR  16           HD1      TYR  16   5.230  -9.041   1.878
  117    HE1  TYR  16           HE2      TYR  16   9.386  -7.289  -0.176
  118    HE2  TYR  16           HE1      TYR  16   7.365 -10.275   2.158
  119    HH   TYR  16           HH       TYR  16  10.169  -9.166   1.909
  120    H    LEU  17           HN       LEU  17   2.704  -8.606  -0.584
  121    HA   LEU  17           HA       LEU  17   4.314 -10.773  -1.634
  122    HB2  LEU  17           HB2      LEU  17   1.295 -10.668  -1.344
  123    HB3  LEU  17           HB1      LEU  17   2.264 -12.106  -1.569
  124    HG   LEU  17           HG       LEU  17   3.465 -11.527   0.588
  125   HD11  LEU  17          HD11      LEU  17   1.777 -10.078   2.075
  126   HD12  LEU  17          HD12      LEU  17   1.394  -9.358   0.516
  127   HD13  LEU  17          HD13      LEU  17   3.042  -9.319   1.121
  128   HD21  LEU  17          HD21      LEU  17   0.533 -12.246   0.438
  129   HD22  LEU  17          HD22      LEU  17   1.376 -12.218   1.985
  130   HD23  LEU  17          HD23      LEU  17   1.913 -13.308   0.707
  131    H    VAL  18           HN       VAL  18   1.507  -8.993  -2.883
  132    HA   VAL  18           HA       VAL  18   1.225 -10.209  -5.381
  133    HB   VAL  18           HB       VAL  18   0.986  -7.256  -4.779
  134   HG11  VAL  18          HG11      VAL  18   0.933  -7.733  -7.139
  135   HG12  VAL  18          HG12      VAL  18  -0.678  -7.301  -6.592
  136   HG13  VAL  18          HG13      VAL  18  -0.271  -8.988  -6.898
  137   HG21  VAL  18          HG21      VAL  18  -1.107  -9.429  -4.634
  138   HG22  VAL  18          HG22      VAL  18  -1.346  -7.721  -4.273
  139   HG23  VAL  18          HG23      VAL  18  -0.320  -8.707  -3.233
  140    H    CYS  19           HN       CYS  19   3.087  -7.226  -4.779
  141    HA   CYS  19           HA       CYS  19   4.378  -7.374  -7.373
  142    HB2  CYS  19           HB2      CYS  19   5.346  -5.726  -5.045
  143    HB3  CYS  19           HB1      CYS  19   5.426  -5.356  -6.760
  144    H    GLY  20           HN       GLY  20   5.076  -8.572  -4.199
  145    HA2  GLY  20           HA2      GLY  20   6.919  -9.752  -3.346
  146    HA3  GLY  20           HA1      GLY  20   7.048 -10.387  -4.983
  147    H    GLU  21           HN       GLU  21   9.110 -10.161  -5.670
  148    HA   GLU  21           HA       GLU  21  10.876  -8.101  -4.610
  149    HB2  GLU  21           HB2      GLU  21  11.202 -10.136  -6.829
  150    HB3  GLU  21           HB1      GLU  21  12.488  -9.053  -6.294
  151    HG2  GLU  21           HG2      GLU  21  12.341  -9.970  -4.023
  152    HG3  GLU  21           HG1      GLU  21  11.015 -11.022  -4.520
  153    H    ARG  22           HN       ARG  22   8.655  -8.253  -7.214
  154    HA   ARG  22           HA       ARG  22   9.889  -6.640  -9.170
  155    HB2  ARG  22           HB2      ARG  22   6.974  -6.500  -8.344
  156    HB3  ARG  22           HB1      ARG  22   7.647  -6.033  -9.904
  157    HG2  ARG  22           HG2      ARG  22   8.315  -8.340 -10.352
  158    HG3  ARG  22           HG1      ARG  22   7.754  -8.839  -8.757
  159    HD2  ARG  22           HD2      ARG  22   5.937  -9.409 -10.129
  160    HD3  ARG  22           HD1      ARG  22   5.459  -7.825  -9.522
  161    HE   ARG  22           HE       ARG  22   6.826  -7.257 -11.868
  162   HH11  ARG  22          HH21      ARG  22   4.209  -9.289 -10.912
  163   HH12  ARG  22          HH22      ARG  22   3.405  -9.199 -12.444
  164   HH21  ARG  22          HH11      ARG  22   5.788  -7.124 -13.872
  165   HH22  ARG  22          HH12      ARG  22   4.298  -7.972 -14.118
  166    H    GLY  23           HN       GLY  23   8.562  -5.780  -6.044
  167    HA2  GLY  23           HA2      GLY  23   8.857  -3.769  -4.849
  168    HA3  GLY  23           HA1      GLY  23   9.803  -3.146  -6.204
  169    H    PHE  24           HN       PHE  24   7.681  -1.699  -4.791
  170    HA   PHE  24           HA       PHE  24   6.103  -0.961  -7.150
  171    HB2  PHE  24           HB2      PHE  24   3.946  -1.344  -6.143
  172    HB3  PHE  24           HB1      PHE  24   4.857  -2.849  -6.084
  173    HD1  PHE  24           HD1      PHE  24   5.755  -3.710  -3.975
  174    HD2  PHE  24           HD2      PHE  24   3.489  -0.062  -4.097
  175    HE1  PHE  24           HE1      PHE  24   5.475  -3.802  -1.515
  176    HE2  PHE  24           HE2      PHE  24   3.205  -0.165  -1.633
  177    HZ   PHE  24           HZ       PHE  24   4.198  -2.029  -0.349
  178    H    PHE  25           HN       PHE  25   4.564   0.847  -6.518
  179    HA   PHE  25           HA       PHE  25   5.861   2.638  -4.495
  180    HB2  PHE  25           HB2      PHE  25   4.988   4.500  -5.965
  181    HB3  PHE  25           HB1      PHE  25   6.231   3.508  -6.729
  182    HD1  PHE  25           HD1      PHE  25   2.602   4.249  -6.607
  183    HD2  PHE  25           HD2      PHE  25   5.712   2.031  -8.574
  184    HE1  PHE  25           HE1      PHE  25   1.025   3.669  -8.439
  185    HE2  PHE  25           HE2      PHE  25   4.143   1.457 -10.405
  186    HZ   PHE  25           HZ       PHE  25   1.802   2.274 -10.338
  187    H    TYR  26           HN       TYR  26   4.517   3.311  -2.870
  188    HA   TYR  26           HA       TYR  26   1.774   2.400  -2.810
  189    HB2  TYR  26           HB2      TYR  26   3.347   2.993  -0.793
  190    HB3  TYR  26           HB1      TYR  26   2.797   4.648  -1.061
  191    HD1  TYR  26           HD1      TYR  26   1.407   1.167  -0.808
  192    HD2  TYR  26           HD2      TYR  26   0.829   5.343   0.033
  193    HE1  TYR  26           HE1      TYR  26  -0.713   0.655   0.375
  194    HE2  TYR  26           HE2      TYR  26  -1.278   4.816   1.223
  195    HH   TYR  26           HH       TYR  26  -2.992   2.286   0.878
  196    H    THR  27           HN       THR  27  -0.035   4.174  -2.444
  197    HA   THR  27           HA       THR  27  -0.151   5.691  -4.860
  198    HB   THR  27           HB       THR  27  -2.171   4.964  -3.672
  199    HG1  THR  27           HG1      THR  27  -1.814   7.755  -3.917
  200   HG21  THR  27          HG21      THR  27  -1.386   5.282  -1.370
  201   HG22  THR  27          HG22      THR  27  -2.889   6.155  -1.630
  202   HG23  THR  27          HG23      THR  27  -1.357   7.027  -1.601
  203    H    ASP  28           HN       ASP  28  -0.648   8.187  -4.706
  204    HA   ASP  28           HA       ASP  28   1.677   9.538  -4.276
  205    HB2  ASP  28           HB2      ASP  28  -0.992  10.247  -4.862
  206    HB3  ASP  28           HB1      ASP  28  -0.523  11.307  -3.537
  207    HA   PRO  29           HA       PRO  29   2.158   9.779   0.186
  208    HB2  PRO  29           HB2      PRO  29   3.910  11.920   0.331
  209    HB3  PRO  29           HB1      PRO  29   4.399  10.286  -0.144
  210    HG2  PRO  29           HG2      PRO  29   4.005  12.702  -1.852
  211    HG3  PRO  29           HG1      PRO  29   5.070  11.313  -2.108
  212    HD2  PRO  29           HD2      PRO  29   2.592  11.731  -3.400
  213    HD3  PRO  29           HD1      PRO  29   3.491  10.198  -3.324
  214    H    THR  30           HN       THR  30   0.687  12.196  -1.694
  215    HA   THR  30           HA       THR  30   0.469  14.415  -0.001
  216    HB   THR  30           HB       THR  30  -1.521  15.004  -1.244
  217    HG1  THR  30           HG1      THR  30  -2.228  13.201  -2.743
  218   HG21  THR  30          HG21      THR  30   0.651  15.048  -2.443
  219   HG22  THR  30          HG22      THR  30  -0.690  14.697  -3.532
  220   HG23  THR  30          HG23      THR  30   0.368  13.397  -2.988
  221    H    GLY  31           HN       GLY  31  -1.509  11.455   0.059
  222    HA2  GLY  31           HA2      GLY  31  -2.821  10.595   1.814
  223    HA3  GLY  31           HA1      GLY  31  -2.022  11.749   2.876
  224    H    GLY  32           HN       GLY  32  -3.037  13.874   0.778
  225    HA2  GLY  32           HA2      GLY  32  -5.631  14.302   2.175
  226    HA3  GLY  32           HA1      GLY  32  -4.747  15.519   1.250
  227    H    GLY  33           HN       GLY  33  -4.361  13.221  -0.787
  228    HA2  GLY  33           HA2      GLY  33  -6.910  12.538  -1.870
  229    HA3  GLY  33           HA1      GLY  33  -6.321  14.000  -2.668
  230    HA   PRO  34           HA       PRO  34  -2.822  10.879  -3.559
  231    HB2  PRO  34           HB2      PRO  34  -3.101   8.334  -2.460
  232    HB3  PRO  34           HB1      PRO  34  -2.172   9.639  -1.721
  233    HG2  PRO  34           HG2      PRO  34  -4.874   8.602  -1.008
  234    HG3  PRO  34           HG1      PRO  34  -3.650   9.345   0.037
  235    HD2  PRO  34           HD2      PRO  34  -5.934  10.659  -0.887
  236    HD3  PRO  34           HD1      PRO  34  -4.450  11.467  -0.339
  237    H    ARG  35           HN       ARG  35  -2.757   8.516  -4.696
  238    HA   ARG  35           HA       ARG  35  -4.724   8.533  -6.760
  239    HB2  ARG  35           HB2      ARG  35  -2.344   7.379  -6.593
  240    HB3  ARG  35           HB1      ARG  35  -3.262   6.005  -5.985
  241    HG2  ARG  35           HG2      ARG  35  -4.700   6.114  -8.027
  242    HG3  ARG  35           HG1      ARG  35  -3.664   7.401  -8.647
  243    HD2  ARG  35           HD2      ARG  35  -1.703   5.796  -8.330
  244    HD3  ARG  35           HD1      ARG  35  -2.901   4.527  -8.074
  245    HE   ARG  35           HE       ARG  35  -3.678   5.692 -10.465
  246   HH11  ARG  35          HH21      ARG  35  -0.776   4.370  -9.152
  247   HH12  ARG  35          HH22      ARG  35  -0.176   3.819 -10.681
  248   HH21  ARG  35          HH11      ARG  35  -2.913   4.977 -12.470
  249   HH22  ARG  35          HH12      ARG  35  -1.387   4.162 -12.559
  250    H    ARG  36           HN       ARG  36  -6.762   8.607  -5.603
  251    HA   ARG  36           HA       ARG  36  -7.574   6.667  -3.678
  252    HB2  ARG  36           HB2      ARG  36  -9.944   7.331  -4.631
  253    HB3  ARG  36           HB1      ARG  36  -8.981   8.536  -3.774
  254    HG2  ARG  36           HG2      ARG  36  -8.285   9.586  -5.771
  255    HG3  ARG  36           HG1      ARG  36  -8.741   8.200  -6.760
  256    HD2  ARG  36           HD2      ARG  36 -10.401   9.953  -7.064
  257    HD3  ARG  36           HD1      ARG  36 -11.140   8.631  -6.160
  258    HE   ARG  36           HE       ARG  36 -10.179  10.330  -4.190
  259   HH11  ARG  36          HH21      ARG  36 -12.188  10.607  -6.978
  260   HH12  ARG  36          HH22      ARG  36 -13.145  11.894  -6.323
  261   HH21  ARG  36          HH11      ARG  36 -11.415  12.010  -3.321
  262   HH22  ARG  36          HH12      ARG  36 -12.708  12.687  -4.252
  263    H    GLY  37           HN       GLY  37  -6.590   6.072  -6.730
  264    HA2  GLY  37           HA2      GLY  37  -8.659   4.203  -7.577
  265    HA3  GLY  37           HA1      GLY  37  -7.092   4.433  -8.348
  266    H    ILE  38           HN       ILE  38  -5.810   4.029  -5.556
  267    HA   ILE  38           HA       ILE  38  -5.858   1.053  -5.717
  268    HB   ILE  38           HB       ILE  38  -3.716   2.736  -5.770
  269   HG12  ILE  38          HG12      ILE  38  -3.325   0.515  -6.378
  270   HG13  ILE  38          HG11      ILE  38  -2.349   0.681  -4.936
  271   HG21  ILE  38          HG21      ILE  38  -3.889   1.861  -2.871
  272   HG22  ILE  38          HG22      ILE  38  -3.979   3.514  -3.469
  273   HG23  ILE  38          HG23      ILE  38  -2.493   2.597  -3.646
  274   HD11  ILE  38          HD11      ILE  38  -3.402  -1.280  -4.396
  275   HD12  ILE  38          HD12      ILE  38  -4.812  -0.940  -5.388
  276   HD13  ILE  38          HD13      ILE  38  -4.644  -0.193  -3.801
  277    H    VAL  39           HN       VAL  39  -5.703   3.572  -3.162
  278    HA   VAL  39           HA       VAL  39  -6.259   1.776  -1.038
  279    HB   VAL  39           HB       VAL  39  -7.094   4.678  -1.029
  280   HG11  VAL  39          HG11      VAL  39  -5.991   2.791   1.075
  281   HG12  VAL  39          HG12      VAL  39  -7.668   3.318   0.935
  282   HG13  VAL  39          HG13      VAL  39  -6.409   4.483   1.345
  283   HG21  VAL  39          HG21      VAL  39  -4.329   3.460  -1.035
  284   HG22  VAL  39          HG22      VAL  39  -4.631   4.941  -0.126
  285   HG23  VAL  39          HG23      VAL  39  -4.908   4.904  -1.864
  286    H    GLU  40           HN       GLU  40  -8.582   4.165  -2.386
  287    HA   GLU  40           HA       GLU  40 -10.845   3.118  -1.081
  288    HB2  GLU  40           HB2      GLU  40 -10.830   4.323  -3.858
  289    HB3  GLU  40           HB1      GLU  40 -12.179   4.289  -2.723
  290    HG2  GLU  40           HG2      GLU  40 -10.626   5.566  -1.108
  291    HG3  GLU  40           HG1      GLU  40  -9.606   5.858  -2.517
  292    H    GLN  41           HN       GLN  41  -9.643   2.282  -4.348
  293    HA   GLN  41           HA       GLN  41 -11.614   0.496  -5.145
  294    HB2  GLN  41           HB2      GLN  41  -9.530   1.130  -6.427
  295    HB3  GLN  41           HB1      GLN  41  -8.654  -0.076  -5.482
  296    HG2  GLN  41           HG2      GLN  41 -10.138  -1.836  -6.296
  297    HG3  GLN  41           HG1      GLN  41 -11.121  -0.652  -7.155
  298   HE21  GLN  41          HE21      GLN  41 -10.706  -1.092  -9.313
  299   HE22  GLN  41          HE22      GLN  41  -9.158  -1.156  -9.990
  300    H    CYS  42           HN       CYS  42  -8.692  -0.460  -3.301
  301    HA   CYS  42           HA       CYS  42  -9.897  -3.071  -2.728
  302    HB2  CYS  42           HB2      CYS  42  -7.313  -1.882  -1.693
  303    HB3  CYS  42           HB1      CYS  42  -7.793  -3.579  -1.658
  304    H    CYS  43           HN       CYS  43  -9.535  -0.014  -1.019
  305    HA   CYS  43           HA       CYS  43 -10.172  -1.246   1.580
  306    HB2  CYS  43           HB2      CYS  43  -8.714   0.742   1.535
  307    HB3  CYS  43           HB1      CYS  43 -10.010   1.680   0.787
  308    H    HIS  44           HN       HIS  44 -11.802   1.056  -0.623
  309    HA   HIS  44           HA       HIS  44 -14.289   0.961   0.834
  310    HB2  HIS  44           HB2      HIS  44 -13.541   2.764  -0.815
  311    HB3  HIS  44           HB1      HIS  44 -13.977   1.639  -2.098
  312    HD2  HIS  44           HD2      HIS  44 -15.671   4.480  -0.629
  313    HE1  HIS  44           HE1      HIS  44 -18.785   1.639  -0.876
  314    HE2  HIS  44           HE2      HIS  44 -18.244   4.102  -0.546
  315    H    SER  45           HN       SER  45 -12.841  -1.015  -1.666
  316    HA   SER  45           HA       SER  45 -15.214  -2.838  -1.522
  317    HB2  SER  45           HB2      SER  45 -15.556  -1.716  -3.603
  318    HB3  SER  45           HB1      SER  45 -13.850  -1.819  -4.020
  319    HG   SER  45           HG       SER  45 -15.821  -3.829  -3.966
  320    H    ILE  46           HN       ILE  46 -14.594  -4.999  -2.601
  321    HA   ILE  46           HA       ILE  46 -11.994  -5.844  -1.465
  322    HB   ILE  46           HB       ILE  46 -14.020  -7.645  -2.801
  323   HG12  ILE  46          HG12      ILE  46 -15.297  -6.231  -1.229
  324   HG13  ILE  46          HG11      ILE  46 -15.172  -7.883  -0.638
  325   HG21  ILE  46          HG21      ILE  46 -12.082  -7.993  -0.499
  326   HG22  ILE  46          HG22      ILE  46 -11.895  -8.638  -2.130
  327   HG23  ILE  46          HG23      ILE  46 -13.195  -9.224  -1.092
  328   HD11  ILE  46          HD11      ILE  46 -13.251  -7.190   0.805
  329   HD12  ILE  46          HD12      ILE  46 -14.742  -6.342   1.198
  330   HD13  ILE  46          HD13      ILE  46 -13.491  -5.529   0.265
  331    H    CYS  47           HN       CYS  47 -10.397  -5.266  -2.973
  332    HA   CYS  47           HA       CYS  47 -10.840  -5.933  -5.834
  333    HB2  CYS  47           HB2      CYS  47  -8.975  -4.577  -6.313
  334    HB3  CYS  47           HB1      CYS  47  -9.743  -3.749  -4.965
  335    H    SER  48           HN       SER  48  -9.649  -7.518  -6.915
  336    HA   SER  48           HA       SER  48  -8.533  -9.633  -5.232
  337    HB2  SER  48           HB2      SER  48  -8.019 -10.603  -7.623
  338    HB3  SER  48           HB1      SER  48  -9.687 -10.503  -7.073
  339    HG   SER  48           HG       SER  48  -9.704  -9.547  -9.030
  340    H    LEU  49           HN       LEU  49  -6.347 -10.563  -5.820
  341    HA   LEU  49           HA       LEU  49  -4.279  -8.668  -5.444
  342    HB2  LEU  49           HB2      LEU  49  -3.974 -11.357  -6.808
  343    HB3  LEU  49           HB1      LEU  49  -2.740 -10.476  -5.915
  344    HG   LEU  49           HG       LEU  49  -5.199 -11.860  -4.824
  345   HD11  LEU  49          HD11      LEU  49  -3.119 -13.187  -5.077
  346   HD12  LEU  49          HD12      LEU  49  -3.533 -12.960  -3.378
  347   HD13  LEU  49          HD13      LEU  49  -2.252 -11.994  -4.109
  348   HD21  LEU  49          HD21      LEU  49  -3.461  -9.750  -3.549
  349   HD22  LEU  49          HD22      LEU  49  -4.354 -10.926  -2.586
  350   HD23  LEU  49          HD23      LEU  49  -5.222  -9.796  -3.623
  351    H    TYR  50           HN       TYR  50  -5.732 -10.007  -8.315
  352    HA   TYR  50           HA       TYR  50  -4.047  -9.356 -10.372
  353    HB2  TYR  50           HB2      TYR  50  -6.510 -10.269 -10.272
  354    HB3  TYR  50           HB1      TYR  50  -6.959  -8.580 -10.512
  355    HD1  TYR  50           HD2      TYR  50  -5.112 -11.423 -11.868
  356    HD2  TYR  50           HD1      TYR  50  -6.621  -7.498 -12.605
  357    HE1  TYR  50           HE2      TYR  50  -4.628 -11.710 -14.297
  358    HE2  TYR  50           HE1      TYR  50  -6.146  -7.753 -15.035
  359    HH   TYR  50           HH       TYR  50  -4.394  -9.278 -16.411
  360    H    GLN  51           HN       GLN  51  -6.499  -7.176  -9.036
  361    HA   GLN  51           HA       GLN  51  -5.649  -4.857 -10.464
  362    HB2  GLN  51           HB2      GLN  51  -6.857  -4.743  -7.695
  363    HB3  GLN  51           HB1      GLN  51  -7.082  -3.637  -9.048
  364    HG2  GLN  51           HG2      GLN  51  -8.127  -5.580 -10.324
  365    HG3  GLN  51           HG1      GLN  51  -8.148  -6.452  -8.794
  366   HE21  GLN  51          HE21      GLN  51  -8.984  -3.116  -9.853
  367   HE22  GLN  51          HE22      GLN  51 -10.475  -3.074  -9.047
  368    H    LEU  52           HN       LEU  52  -4.736  -6.105  -7.268
  369    HA   LEU  52           HA       LEU  52  -3.019  -3.929  -6.591
  370    HB2  LEU  52           HB2      LEU  52  -2.881  -6.837  -5.791
  371    HB3  LEU  52           HB1      LEU  52  -1.957  -5.547  -5.029
  372    HG   LEU  52           HG       LEU  52  -4.983  -5.736  -5.137
  373   HD11  LEU  52          HD11      LEU  52  -4.821  -6.143  -2.769
  374   HD12  LEU  52          HD12      LEU  52  -3.075  -5.908  -2.797
  375   HD13  LEU  52          HD13      LEU  52  -3.794  -7.303  -3.607
  376   HD21  LEU  52          HD21      LEU  52  -3.087  -3.580  -4.300
  377   HD22  LEU  52          HD22      LEU  52  -4.526  -3.814  -3.307
  378   HD23  LEU  52          HD23      LEU  52  -4.684  -3.437  -5.021
  379    H    GLU  53           HN       GLU  53  -2.693  -6.708  -8.611
  380    HA   GLU  53           HA       GLU  53   0.179  -6.550  -8.922
  381    HB2  GLU  53           HB2      GLU  53  -1.835  -8.386  -9.568
  382    HB3  GLU  53           HB1      GLU  53  -1.330  -7.793 -11.146
  383    HG2  GLU  53           HG2      GLU  53   0.609  -8.825  -9.056
  384    HG3  GLU  53           HG1      GLU  53  -0.085  -9.833 -10.313
  385    H    ASN  54           HN       ASN  54  -2.367  -4.655  -9.907
  386    HA   ASN  54           HA       ASN  54  -1.364  -3.845 -12.515
  387    HB2  ASN  54           HB2      ASN  54  -3.802  -3.749 -11.512
  388    HB3  ASN  54           HB1      ASN  54  -3.278  -2.199 -10.854
  389   HD21  ASN  54          HD21      ASN  54  -5.321  -2.521 -12.912
  390   HD22  ASN  54          HD22      ASN  54  -4.748  -1.760 -14.314
  391    H    TYR  55           HN       TYR  55  -0.904  -2.827  -9.198
  392    HA   TYR  55           HA       TYR  55   0.522  -0.359 -10.088
  393    HB2  TYR  55           HB2      TYR  55  -0.051  -1.226  -7.250
  394    HB3  TYR  55           HB1      TYR  55   0.319   0.391  -7.838
  395    HD1  TYR  55           HD2      TYR  55  -2.200  -2.260  -7.731
  396    HD2  TYR  55           HD1      TYR  55  -1.350   1.751  -8.920
  397    HE1  TYR  55           HE2      TYR  55  -4.636  -1.877  -8.117
  398    HE2  TYR  55           HE1      TYR  55  -3.768   2.151  -9.322
  399    HH   TYR  55           HH       TYR  55  -6.148  -0.464  -8.969
  400    H    CYS  56           HN       CYS  56   1.339  -3.510  -9.739
  401    HA   CYS  56           HA       CYS  56   3.773  -3.142  -8.129
  402    HB2  CYS  56           HB2      CYS  56   2.833  -5.471  -9.824
  403    HB3  CYS  56           HB1      CYS  56   4.238  -5.490  -8.767
  404    H    ASN  57           HN       ASN  57   5.418  -2.015  -9.043
  405    HA   ASN  57           HA       ASN  57   6.912  -1.217 -10.671
  406    HB2  ASN  57           HB2      ASN  57   7.642  -3.589 -10.450
  407    HB3  ASN  57           HB1      ASN  57   6.528  -4.025 -11.743
  408   HD21  ASN  57          HD21      ASN  57   8.424  -1.018 -11.665
  409   HD22  ASN  57          HD22      ASN  57   9.383  -1.388 -13.016
  Start of MODEL   14
    1    H1   PHE   1           HT1      PHE   1  -5.406 -13.057   2.824
    2    H2   PHE   1           HT2      PHE   1  -7.015 -12.509   2.843
    3    H3   PHE   1           HT3      PHE   1  -5.800 -11.618   3.630
    4    HA   PHE   1           HA       PHE   1  -5.969 -10.403   1.743
    5    HB2  PHE   1           HB2      PHE   1  -3.696 -11.608   2.017
    6    HB3  PHE   1           HB1      PHE   1  -4.187 -12.604   0.658
    7    HD1  PHE   1           HD2      PHE   1  -5.721  -9.722  -0.318
    8    HD2  PHE   1           HD1      PHE   1  -1.770 -11.171   0.472
    9    HE1  PHE   1           HE2      PHE   1  -4.797  -8.034  -1.814
   10    HE2  PHE   1           HE1      PHE   1  -0.843  -9.467  -1.031
   11    HZ   PHE   1           HZ       PHE   1  -2.346  -7.889  -2.178
   12    H    VAL   2           HN       VAL   2  -8.072 -12.511   1.786
   13    HA   VAL   2           HA       VAL   2  -8.270 -13.277  -1.089
   14    HB   VAL   2           HB       VAL   2 -10.328 -14.568  -0.036
   15   HG11  VAL   2          HG11      VAL   2  -7.433 -15.291   0.493
   16   HG12  VAL   2          HG12      VAL   2  -8.369 -15.694  -0.946
   17   HG13  VAL   2          HG13      VAL   2  -8.783 -16.421   0.607
   18   HG21  VAL   2          HG21      VAL   2  -9.890 -13.224   2.170
   19   HG22  VAL   2          HG22      VAL   2  -8.582 -14.376   2.420
   20   HG23  VAL   2          HG23      VAL   2 -10.245 -14.947   2.290
   21    H    ASN   3           HN       ASN   3 -11.074 -12.871   0.945
   22    HA   ASN   3           HA       ASN   3 -12.106 -10.808  -0.942
   23    HB2  ASN   3           HB2      ASN   3 -13.675 -12.374   1.116
   24    HB3  ASN   3           HB1      ASN   3 -14.306 -11.472  -0.260
   25   HD21  ASN   3          HD21      ASN   3 -14.719 -12.705  -2.082
   26   HD22  ASN   3          HD22      ASN   3 -14.024 -14.216  -2.420
   27    H    GLN   4           HN       GLN   4 -10.268 -10.317   1.391
   28    HA   GLN   4           HA       GLN   4 -12.017  -8.710   3.180
   29    HB2  GLN   4           HB2      GLN   4  -9.583  -8.331   4.245
   30    HB3  GLN   4           HB1      GLN   4 -10.511  -9.793   4.554
   31    HG2  GLN   4           HG2      GLN   4  -9.320 -10.973   2.765
   32    HG3  GLN   4           HG1      GLN   4  -8.420  -9.504   2.378
   33   HE21  GLN   4          HE21      GLN   4  -8.207 -12.371   4.095
   34   HE22  GLN   4          HE22      GLN   4  -7.023 -11.922   5.223
   35    H    HIS   5           HN       HIS   5 -11.392  -6.475   3.639
   36    HA   HIS   5           HA       HIS   5 -10.637  -5.061   1.154
   37    HB2  HIS   5           HB2      HIS   5 -11.467  -3.069   2.361
   38    HB3  HIS   5           HB1      HIS   5 -12.666  -4.357   2.342
   39    HD2  HIS   5           HD2      HIS   5 -12.664  -5.908   4.890
   40    HE1  HIS   5           HE1      HIS   5 -11.113  -2.650   7.086
   41    HE2  HIS   5           HE2      HIS   5 -12.238  -4.923   7.258
   42    H    LEU   6           HN       LEU   6  -8.777  -3.900   0.926
   43    HA   LEU   6           HA       LEU   6  -6.788  -3.988   3.144
   44    HB2  LEU   6           HB2      LEU   6  -6.656  -3.706   0.156
   45    HB3  LEU   6           HB1      LEU   6  -5.386  -2.961   1.098
   46    HG   LEU   6           HG       LEU   6  -4.531  -4.993   1.848
   47   HD11  LEU   6          HD11      LEU   6  -6.212  -6.151   2.932
   48   HD12  LEU   6          HD12      LEU   6  -5.984  -7.169   1.519
   49   HD13  LEU   6          HD13      LEU   6  -7.322  -6.027   1.571
   50   HD21  LEU   6          HD21      LEU   6  -4.205  -4.932  -0.550
   51   HD22  LEU   6          HD22      LEU   6  -5.824  -5.579  -0.830
   52   HD23  LEU   6          HD23      LEU   6  -4.600  -6.572  -0.085
   53    H    CYS   7           HN       CYS   7  -6.409  -2.174   4.311
   54    HA   CYS   7           HA       CYS   7  -6.896   0.488   3.069
   55    HB2  CYS   7           HB2      CYS   7  -8.048  -0.380   5.740
   56    HB3  CYS   7           HB1      CYS   7  -8.142   1.244   5.059
   57    H    GLY   8           HN       GLY   8  -5.168   1.743   3.468
   58    HA2  GLY   8           HA2      GLY   8  -3.325   2.679   4.596
   59    HA3  GLY   8           HA1      GLY   8  -3.889   1.880   6.061
   60    H    SER   9           HN       SER   9  -1.792   1.171   6.646
   61    HA   SER   9           HA       SER   9   0.184  -0.038   5.126
   62    HB2  SER   9           HB2      SER   9  -0.766  -0.760   7.909
   63    HB3  SER   9           HB1      SER   9   0.709  -1.403   7.193
   64    HG   SER   9           HG       SER   9   1.568   0.381   7.897
   65    H    ASP  10           HN       ASP  10  -2.899  -1.477   6.094
   66    HA   ASP  10           HA       ASP  10  -2.411  -4.195   5.668
   67    HB2  ASP  10           HB2      ASP  10  -4.795  -2.452   5.042
   68    HB3  ASP  10           HB1      ASP  10  -4.822  -4.177   4.680
   69    H    LEU  11           HN       LEU  11  -3.280  -1.762   3.206
   70    HA   LEU  11           HA       LEU  11  -3.133  -3.441   0.955
   71    HB2  LEU  11           HB2      LEU  11  -3.981  -1.170   0.730
   72    HB3  LEU  11           HB1      LEU  11  -2.436  -0.502   1.240
   73    HG   LEU  11           HG       LEU  11  -1.355  -1.282  -0.775
   74   HD11  LEU  11          HD11      LEU  11  -2.781  -2.417  -2.526
   75   HD12  LEU  11          HD12      LEU  11  -3.959  -2.716  -1.257
   76   HD13  LEU  11          HD13      LEU  11  -2.341  -3.410  -1.149
   77   HD21  LEU  11          HD21      LEU  11  -2.614   0.816  -1.014
   78   HD22  LEU  11          HD22      LEU  11  -4.065  -0.096  -1.433
   79   HD23  LEU  11          HD23      LEU  11  -2.672  -0.112  -2.512
   80    H    VAL  12           HN       VAL  12  -0.544  -1.374   2.308
   81    HA   VAL  12           HA       VAL  12   1.558  -2.055   0.623
   82    HB   VAL  12           HB       VAL  12   1.846  -1.889   3.635
   83   HG11  VAL  12          HG11      VAL  12   3.724  -0.857   1.507
   84   HG12  VAL  12          HG12      VAL  12   3.812  -2.526   2.068
   85   HG13  VAL  12          HG13      VAL  12   4.067  -1.202   3.200
   86   HG21  VAL  12          HG21      VAL  12   1.701   0.355   1.600
   87   HG22  VAL  12          HG22      VAL  12   2.049   0.548   3.315
   88   HG23  VAL  12          HG23      VAL  12   0.461  -0.012   2.796
   89    H    GLU  13           HN       GLU  13   1.071  -3.709   3.769
   90    HA   GLU  13           HA       GLU  13   2.803  -5.853   3.353
   91    HB2  GLU  13           HB2      GLU  13   0.083  -5.975   4.692
   92    HB3  GLU  13           HB1      GLU  13   1.389  -7.140   4.910
   93    HG2  GLU  13           HG2      GLU  13   2.836  -5.164   5.651
   94    HG3  GLU  13           HG1      GLU  13   1.341  -4.232   5.734
   95    H    ALA  14           HN       ALA  14  -0.313  -5.278   1.890
   96    HA   ALA  14           HA       ALA  14  -0.540  -8.012   0.860
   97    HB1  ALA  14           HB1      ALA  14  -2.253  -5.702   1.087
   98    HB2  ALA  14           HB2      ALA  14  -2.696  -7.366   0.730
   99    HB3  ALA  14           HB3      ALA  14  -2.276  -6.260  -0.582
  100    H    LEU  15           HN       LEU  15   0.025  -4.790  -0.694
  101    HA   LEU  15           HA       LEU  15   0.562  -5.792  -3.261
  102    HB2  LEU  15           HB2      LEU  15   1.768  -3.449  -1.792
  103    HB3  LEU  15           HB1      LEU  15   2.217  -3.828  -3.451
  104    HG   LEU  15           HG       LEU  15  -0.707  -3.574  -2.750
  105   HD11  LEU  15          HD11      LEU  15   0.613  -1.511  -1.927
  106   HD12  LEU  15          HD12      LEU  15  -0.689  -1.209  -3.072
  107   HD13  LEU  15          HD13      LEU  15   0.984  -1.216  -3.624
  108   HD21  LEU  15          HD21      LEU  15  -0.900  -2.950  -5.081
  109   HD22  LEU  15          HD22      LEU  15   0.095  -4.400  -5.002
  110   HD23  LEU  15          HD23      LEU  15   0.850  -2.829  -5.242
  111    H    TYR  16           HN       TYR  16   2.602  -5.734  -0.387
  112    HA   TYR  16           HA       TYR  16   5.099  -6.338  -1.480
  113    HB2  TYR  16           HB2      TYR  16   4.803  -5.959   0.899
  114    HB3  TYR  16           HB1      TYR  16   3.856  -7.435   1.048
  115    HD1  TYR  16           HD2      TYR  16   7.162  -6.355  -0.389
  116    HD2  TYR  16           HD1      TYR  16   4.993  -9.308   1.841
  117    HE1  TYR  16           HE2      TYR  16   9.251  -7.653  -0.077
  118    HE2  TYR  16           HE1      TYR  16   7.080 -10.610   2.157
  119    HH   TYR  16           HH       TYR  16   9.224 -10.857   1.371
  120    H    LEU  17           HN       LEU  17   2.544  -8.747  -0.645
  121    HA   LEU  17           HA       LEU  17   4.080 -10.963  -1.695
  122    HB2  LEU  17           HB2      LEU  17   1.066 -10.721  -1.445
  123    HB3  LEU  17           HB1      LEU  17   1.964 -12.201  -1.699
  124    HG   LEU  17           HG       LEU  17   3.179 -11.719   0.484
  125   HD11  LEU  17          HD11      LEU  17   1.154  -9.501   0.470
  126   HD12  LEU  17          HD12      LEU  17   2.812  -9.499   1.046
  127   HD13  LEU  17          HD13      LEU  17   1.556 -10.260   2.006
  128   HD21  LEU  17          HD21      LEU  17   0.225 -12.331   0.293
  129   HD22  LEU  17          HD22      LEU  17   1.061 -12.382   1.843
  130   HD23  LEU  17          HD23      LEU  17   1.565 -13.449   0.534
  131    H    VAL  18           HN       VAL  18   1.363  -9.071  -2.991
  132    HA   VAL  18           HA       VAL  18   1.101 -10.256  -5.507
  133    HB   VAL  18           HB       VAL  18   0.971  -7.288  -4.928
  134   HG11  VAL  18          HG11      VAL  18  -0.603  -8.904  -6.922
  135   HG12  VAL  18          HG12      VAL  18   0.879  -8.047  -7.332
  136   HG13  VAL  18          HG13      VAL  18  -0.524  -7.155  -6.769
  137   HG21  VAL  18          HG21      VAL  18  -0.373  -8.637  -3.327
  138   HG22  VAL  18          HG22      VAL  18  -1.196  -9.389  -4.692
  139   HG23  VAL  18          HG23      VAL  18  -1.384  -7.663  -4.392
  140    H    CYS  19           HN       CYS  19   3.089  -7.381  -4.803
  141    HA   CYS  19           HA       CYS  19   4.448  -7.565  -7.364
  142    HB2  CYS  19           HB2      CYS  19   5.411  -5.957  -5.007
  143    HB3  CYS  19           HB1      CYS  19   5.524  -5.580  -6.721
  144    H    GLY  20           HN       GLY  20   4.988  -8.807  -4.180
  145    HA2  GLY  20           HA2      GLY  20   6.792 -10.014  -3.259
  146    HA3  GLY  20           HA1      GLY  20   6.885 -10.715  -4.871
  147    H    GLU  21           HN       GLU  21   8.880 -10.538  -5.730
  148    HA   GLU  21           HA       GLU  21  10.810  -8.615  -4.672
  149    HB2  GLU  21           HB2      GLU  21  10.956 -10.639  -6.921
  150    HB3  GLU  21           HB1      GLU  21  12.318  -9.645  -6.403
  151    HG2  GLU  21           HG2      GLU  21  12.079 -10.569  -4.105
  152    HG3  GLU  21           HG1      GLU  21  10.781 -11.613  -4.684
  153    H    ARG  22           HN       ARG  22   8.486  -8.576  -7.171
  154    HA   ARG  22           HA       ARG  22   9.780  -7.021  -9.153
  155    HB2  ARG  22           HB2      ARG  22   6.881  -6.793  -8.288
  156    HB3  ARG  22           HB1      ARG  22   7.549  -6.311  -9.846
  157    HG2  ARG  22           HG2      ARG  22   8.155  -8.633 -10.339
  158    HG3  ARG  22           HG1      ARG  22   7.567  -9.142  -8.756
  159    HD2  ARG  22           HD2      ARG  22   5.752  -9.620 -10.183
  160    HD3  ARG  22           HD1      ARG  22   5.313  -8.060  -9.490
  161    HE   ARG  22           HE       ARG  22   6.692  -7.396 -11.801
  162   HH11  ARG  22          HH21      ARG  22   4.036  -9.427 -10.964
  163   HH12  ARG  22          HH22      ARG  22   3.233  -9.231 -12.486
  164   HH21  ARG  22          HH11      ARG  22   5.659  -7.128 -13.795
  165   HH22  ARG  22          HH12      ARG  22   4.152  -7.929 -14.088
  166    H    GLY  23           HN       GLY  23   8.521  -6.126  -6.003
  167    HA2  GLY  23           HA2      GLY  23   8.913  -4.136  -4.796
  168    HA3  GLY  23           HA1      GLY  23   9.882  -3.551  -6.152
  169    H    PHE  24           HN       PHE  24   7.820  -2.026  -4.707
  170    HA   PHE  24           HA       PHE  24   6.281  -1.185  -7.056
  171    HB2  PHE  24           HB2      PHE  24   4.108  -1.531  -6.088
  172    HB3  PHE  24           HB1      PHE  24   4.981  -3.058  -6.017
  173    HD1  PHE  24           HD1      PHE  24   5.810  -3.954  -3.899
  174    HD2  PHE  24           HD2      PHE  24   3.670  -0.234  -4.049
  175    HE1  PHE  24           HE1      PHE  24   5.495  -4.036  -1.442
  176    HE2  PHE  24           HE2      PHE  24   3.348  -0.326  -1.589
  177    HZ   PHE  24           HZ       PHE  24   4.261  -2.221  -0.292
  178    H    PHE  25           HN       PHE  25   4.790   0.657  -6.395
  179    HA   PHE  25           HA       PHE  25   6.123   2.379  -4.331
  180    HB2  PHE  25           HB2      PHE  25   5.392   4.292  -5.777
  181    HB3  PHE  25           HB1      PHE  25   6.538   3.224  -6.590
  182    HD1  PHE  25           HD1      PHE  25   2.924   4.074  -6.272
  183    HD2  PHE  25           HD2      PHE  25   5.917   1.969  -8.527
  184    HE1  PHE  25           HE1      PHE  25   1.261   3.640  -8.068
  185    HE2  PHE  25           HE2      PHE  25   4.260   1.538 -10.321
  186    HZ   PHE  25           HZ       PHE  25   1.935   2.369 -10.092
  187    H    TYR  26           HN       TYR  26   4.746   3.395  -2.860
  188    HA   TYR  26           HA       TYR  26   1.968   2.450  -2.819
  189    HB2  TYR  26           HB2      TYR  26   3.551   2.908  -0.763
  190    HB3  TYR  26           HB1      TYR  26   3.030   4.581  -0.957
  191    HD1  TYR  26           HD1      TYR  26   1.614   1.105  -0.817
  192    HD2  TYR  26           HD2      TYR  26   1.030   5.266   0.096
  193    HE1  TYR  26           HE1      TYR  26  -0.522   0.575   0.323
  194    HE2  TYR  26           HE2      TYR  26  -1.098   4.718   1.241
  195    HH   TYR  26           HH       TYR  26  -2.786   2.950   1.222
  196    H    THR  27           HN       THR  27   0.220   4.210  -2.430
  197    HA   THR  27           HA       THR  27   0.179   5.900  -4.738
  198    HB   THR  27           HB       THR  27  -1.870   5.041  -3.694
  199    HG1  THR  27           HG1      THR  27  -2.987   6.969  -3.870
  200   HG21  THR  27          HG21      THR  27  -2.679   6.041  -1.591
  201   HG22  THR  27          HG22      THR  27  -1.186   6.960  -1.444
  202   HG23  THR  27          HG23      THR  27  -1.156   5.206  -1.349
  203    H    ASP  28           HN       ASP  28  -0.429   8.350  -4.400
  204    HA   ASP  28           HA       ASP  28   1.822   9.768  -3.773
  205    HB2  ASP  28           HB2      ASP  28  -0.844  10.394  -4.449
  206    HB3  ASP  28           HB1      ASP  28  -0.520  11.351  -3.007
  207    HA   PRO  29           HA       PRO  29   2.104   9.704   0.706
  208    HB2  PRO  29           HB2      PRO  29   3.665  11.951   1.109
  209    HB3  PRO  29           HB1      PRO  29   4.304  10.416   0.502
  210    HG2  PRO  29           HG2      PRO  29   3.745  12.942  -0.991
  211    HG3  PRO  29           HG1      PRO  29   4.947  11.688  -1.325
  212    HD2  PRO  29           HD2      PRO  29   2.493  11.992  -2.683
  213    HD3  PRO  29           HD1      PRO  29   3.523  10.542  -2.695
  214    H    THR  30           HN       THR  30   0.490  12.156  -1.009
  215    HA   THR  30           HA       THR  30   0.051  14.190   0.861
  216    HB   THR  30           HB       THR  30  -1.959  14.724  -0.378
  217    HG1  THR  30           HG1      THR  30  -1.701  12.073  -1.353
  218   HG21  THR  30          HG21      THR  30  -1.052  14.684  -2.665
  219   HG22  THR  30          HG22      THR  30   0.118  13.456  -2.187
  220   HG23  THR  30          HG23      THR  30   0.215  15.078  -1.503
  221    H    GLY  31           HN       GLY  31  -1.698  11.092   0.622
  222    HA2  GLY  31           HA2      GLY  31  -2.982  10.004   2.273
  223    HA3  GLY  31           HA1      GLY  31  -2.292  11.126   3.439
  224    H    GLY  32           HN       GLY  32  -3.406  13.334   1.490
  225    HA2  GLY  32           HA2      GLY  32  -6.063  13.465   2.829
  226    HA3  GLY  32           HA1      GLY  32  -5.234  14.817   2.055
  227    H    GLY  33           HN       GLY  33  -4.597  12.880  -0.214
  228    HA2  GLY  33           HA2      GLY  33  -7.069  12.093  -1.438
  229    HA3  GLY  33           HA1      GLY  33  -6.557  13.662  -2.068
  230    HA   PRO  34           HA       PRO  34  -2.826  10.874  -3.161
  231    HB2  PRO  34           HB2      PRO  34  -2.960   8.235  -2.283
  232    HB3  PRO  34           HB1      PRO  34  -2.117   9.524  -1.425
  233    HG2  PRO  34           HG2      PRO  34  -4.753   8.259  -0.833
  234    HG3  PRO  34           HG1      PRO  34  -3.590   8.999   0.281
  235    HD2  PRO  34           HD2      PRO  34  -5.953  10.222  -0.571
  236    HD3  PRO  34           HD1      PRO  34  -4.534  11.080   0.066
  237    H    ARG  35           HN       ARG  35  -2.598   8.595  -4.480
  238    HA   ARG  35           HA       ARG  35  -4.465   8.665  -6.612
  239    HB2  ARG  35           HB2      ARG  35  -2.113   7.523  -6.463
  240    HB3  ARG  35           HB1      ARG  35  -2.997   6.131  -5.845
  241    HG2  ARG  35           HG2      ARG  35  -4.417   6.138  -7.858
  242    HG3  ARG  35           HG1      ARG  35  -3.514   7.510  -8.496
  243    HD2  ARG  35           HD2      ARG  35  -1.438   5.861  -8.004
  244    HD3  ARG  35           HD1      ARG  35  -2.681   4.637  -8.255
  245    HE   ARG  35           HE       ARG  35  -1.362   6.063 -10.309
  246   HH11  ARG  35          HH21      ARG  35  -4.594   5.342  -9.325
  247   HH12  ARG  35          HH22      ARG  35  -5.276   5.701 -10.871
  248   HH21  ARG  35          HH11      ARG  35  -2.241   6.506 -12.326
  249   HH22  ARG  35          HH12      ARG  35  -3.949   6.348 -12.569
  250    H    ARG  36           HN       ARG  36  -6.574   8.664  -5.569
  251    HA   ARG  36           HA       ARG  36  -7.474   6.645  -3.783
  252    HB2  ARG  36           HB2      ARG  36  -9.788   7.262  -4.872
  253    HB3  ARG  36           HB1      ARG  36  -8.919   8.486  -3.945
  254    HG2  ARG  36           HG2      ARG  36  -8.159   9.600  -5.874
  255    HG3  ARG  36           HG1      ARG  36  -8.456   8.204  -6.909
  256    HD2  ARG  36           HD2      ARG  36 -10.607   9.854  -5.547
  257    HD3  ARG  36           HD1      ARG  36 -10.162   9.972  -7.249
  258    HE   ARG  36           HE       ARG  36 -10.759   7.286  -6.901
  259   HH11  ARG  36          HH21      ARG  36 -12.308  10.302  -6.275
  260   HH12  ARG  36          HH22      ARG  36 -13.908   9.679  -6.503
  261   HH21  ARG  36          HH11      ARG  36 -12.841   6.455  -7.201
  262   HH22  ARG  36          HH12      ARG  36 -14.210   7.502  -7.027
  263    H    GLY  37           HN       GLY  37  -6.345   6.267  -6.862
  264    HA2  GLY  37           HA2      GLY  37  -8.240   4.342  -7.894
  265    HA3  GLY  37           HA1      GLY  37  -6.607   4.608  -8.502
  266    H    ILE  38           HN       ILE  38  -5.500   4.163  -5.696
  267    HA   ILE  38           HA       ILE  38  -5.596   1.189  -5.837
  268    HB   ILE  38           HB       ILE  38  -3.423   2.851  -5.825
  269   HG12  ILE  38          HG12      ILE  38  -3.040   0.645  -6.473
  270   HG13  ILE  38          HG11      ILE  38  -2.113   0.751  -4.996
  271   HG21  ILE  38          HG21      ILE  38  -2.249   2.613  -3.671
  272   HG22  ILE  38          HG22      ILE  38  -3.696   1.928  -2.949
  273   HG23  ILE  38          HG23      ILE  38  -3.700   3.591  -3.525
  274   HD11  ILE  38          HD11      ILE  38  -4.491  -0.104  -3.989
  275   HD12  ILE  38          HD12      ILE  38  -3.219  -1.187  -4.518
  276   HD13  ILE  38          HD13      ILE  38  -4.561  -0.830  -5.594
  277    H    VAL  39           HN       VAL  39  -5.445   3.708  -3.274
  278    HA   VAL  39           HA       VAL  39  -6.091   1.920  -1.170
  279    HB   VAL  39           HB       VAL  39  -6.873   4.835  -1.146
  280   HG11  VAL  39          HG11      VAL  39  -6.253   4.637   1.218
  281   HG12  VAL  39          HG12      VAL  39  -5.737   2.971   0.961
  282   HG13  VAL  39          HG13      VAL  39  -7.440   3.400   0.802
  283   HG21  VAL  39          HG21      VAL  39  -4.124   3.577  -1.146
  284   HG22  VAL  39          HG22      VAL  39  -4.414   5.080  -0.267
  285   HG23  VAL  39          HG23      VAL  39  -4.694   5.008  -2.005
  286    H    GLU  40           HN       GLU  40  -8.357   4.375  -2.515
  287    HA   GLU  40           HA       GLU  40 -10.639   3.323  -1.236
  288    HB2  GLU  40           HB2      GLU  40 -10.470   4.722  -3.916
  289    HB3  GLU  40           HB1      GLU  40 -11.953   4.476  -2.997
  290    HG2  GLU  40           HG2      GLU  40 -10.912   5.713  -1.084
  291    HG3  GLU  40           HG1      GLU  40  -9.525   6.062  -2.115
  292    H    GLN  41           HN       GLN  41  -9.394   2.547  -4.497
  293    HA   GLN  41           HA       GLN  41 -11.388   0.819  -5.377
  294    HB2  GLN  41           HB2      GLN  41  -9.232   1.457  -6.572
  295    HB3  GLN  41           HB1      GLN  41  -8.445   0.160  -5.671
  296    HG2  GLN  41           HG2      GLN  41 -10.104  -1.447  -6.585
  297    HG3  GLN  41           HG1      GLN  41 -10.831  -0.144  -7.523
  298   HE21  GLN  41          HE21      GLN  41 -10.251  -0.690  -9.627
  299   HE22  GLN  41          HE22      GLN  41  -8.655  -0.917 -10.138
  300    H    CYS  42           HN       CYS  42  -8.509  -0.236  -3.516
  301    HA   CYS  42           HA       CYS  42  -9.791  -2.821  -2.981
  302    HB2  CYS  42           HB2      CYS  42  -7.172  -1.695  -1.963
  303    HB3  CYS  42           HB1      CYS  42  -7.699  -3.375  -1.861
  304    H    CYS  43           HN       CYS  43  -9.334   0.206  -1.259
  305    HA   CYS  43           HA       CYS  43 -10.012  -0.994   1.338
  306    HB2  CYS  43           HB2      CYS  43  -8.489   0.990   1.174
  307    HB3  CYS  43           HB1      CYS  43  -9.855   1.942   0.584
  308    H    HIS  44           HN       HIS  44 -11.581   1.343  -0.876
  309    HA   HIS  44           HA       HIS  44 -14.078   1.281   0.586
  310    HB2  HIS  44           HB2      HIS  44 -13.305   3.135  -0.970
  311    HB3  HIS  44           HB1      HIS  44 -13.705   2.066  -2.313
  312    HD2  HIS  44           HD2      HIS  44 -15.443   4.847  -0.794
  313    HE1  HIS  44           HE1      HIS  44 -18.543   2.010  -1.205
  314    HE2  HIS  44           HE2      HIS  44 -18.016   4.462  -0.784
  315    H    SER  45           HN       SER  45 -12.652  -0.653  -1.948
  316    HA   SER  45           HA       SER  45 -15.077  -2.410  -1.905
  317    HB2  SER  45           HB2      SER  45 -13.571  -1.900  -4.469
  318    HB3  SER  45           HB1      SER  45 -15.180  -2.582  -4.251
  319    HG   SER  45           HG       SER  45 -14.575  -0.091  -4.725
  320    H    ILE  46           HN       ILE  46 -14.578  -4.641  -2.513
  321    HA   ILE  46           HA       ILE  46 -11.921  -5.443  -1.573
  322    HB   ILE  46           HB       ILE  46 -13.961  -7.343  -2.741
  323   HG12  ILE  46          HG12      ILE  46 -15.206  -5.759  -1.227
  324   HG13  ILE  46          HG11      ILE  46 -15.192  -7.422  -0.658
  325   HG21  ILE  46          HG21      ILE  46 -11.963  -7.480  -0.468
  326   HG22  ILE  46          HG22      ILE  46 -11.890  -8.329  -2.013
  327   HG23  ILE  46          HG23      ILE  46 -13.135  -8.741  -0.837
  328   HD11  ILE  46          HD11      ILE  46 -13.242  -5.311   0.296
  329   HD12  ILE  46          HD12      ILE  46 -13.446  -6.936   0.947
  330   HD13  ILE  46          HD13      ILE  46 -14.723  -5.739   1.143
  331    H    CYS  47           HN       CYS  47 -10.377  -4.965  -3.144
  332    HA   CYS  47           HA       CYS  47 -10.911  -5.702  -5.965
  333    HB2  CYS  47           HB2      CYS  47  -8.968  -4.466  -6.513
  334    HB3  CYS  47           HB1      CYS  47  -9.697  -3.552  -5.197
  335    H    SER  48           HN       SER  48  -9.579  -7.222  -7.101
  336    HA   SER  48           HA       SER  48  -8.617  -9.424  -5.395
  337    HB2  SER  48           HB2      SER  48  -8.109 -10.392  -7.792
  338    HB3  SER  48           HB1      SER  48  -9.775 -10.260  -7.247
  339    HG   SER  48           HG       SER  48  -9.907  -8.279  -8.359
  340    H    LEU  49           HN       LEU  49  -6.444 -10.406  -5.966
  341    HA   LEU  49           HA       LEU  49  -4.343  -8.553  -5.569
  342    HB2  LEU  49           HB2      LEU  49  -4.069 -11.244  -6.933
  343    HB3  LEU  49           HB1      LEU  49  -2.834 -10.387  -6.017
  344    HG   LEU  49           HG       LEU  49  -5.332 -11.735  -4.972
  345   HD11  LEU  49          HD11      LEU  49  -3.682 -12.826  -3.469
  346   HD12  LEU  49          HD12      LEU  49  -2.389 -11.917  -4.250
  347   HD13  LEU  49          HD13      LEU  49  -3.301 -13.117  -5.167
  348   HD21  LEU  49          HD21      LEU  49  -4.517 -10.816  -2.718
  349   HD22  LEU  49          HD22      LEU  49  -5.345  -9.670  -3.771
  350   HD23  LEU  49          HD23      LEU  49  -3.586  -9.656  -3.662
  351    H    TYR  50           HN       TYR  50  -5.792  -9.856  -8.459
  352    HA   TYR  50           HA       TYR  50  -4.059  -9.237 -10.488
  353    HB2  TYR  50           HB2      TYR  50  -6.539 -10.105 -10.434
  354    HB3  TYR  50           HB1      TYR  50  -6.954  -8.409 -10.680
  355    HD1  TYR  50           HD2      TYR  50  -5.126 -11.279 -12.003
  356    HD2  TYR  50           HD1      TYR  50  -6.560  -7.331 -12.764
  357    HE1  TYR  50           HE2      TYR  50  -4.592 -11.570 -14.421
  358    HE2  TYR  50           HE1      TYR  50  -6.036  -7.590 -15.184
  359    HH   TYR  50           HH       TYR  50  -4.506 -10.574 -16.413
  360    H    GLN  51           HN       GLN  51  -6.493  -7.009  -9.191
  361    HA   GLN  51           HA       GLN  51  -5.574  -4.705 -10.606
  362    HB2  GLN  51           HB2      GLN  51  -6.824  -4.578  -7.854
  363    HB3  GLN  51           HB1      GLN  51  -6.988  -3.448  -9.195
  364    HG2  GLN  51           HG2      GLN  51  -8.063  -5.359 -10.513
  365    HG3  GLN  51           HG1      GLN  51  -8.163  -6.221  -8.981
  366   HE21  GLN  51          HE21      GLN  51  -8.831  -2.856 -10.078
  367   HE22  GLN  51          HE22      GLN  51 -10.343  -2.750  -9.316
  368    H    LEU  52           HN       LEU  52  -4.739  -5.972  -7.394
  369    HA   LEU  52           HA       LEU  52  -2.993  -3.832  -6.695
  370    HB2  LEU  52           HB2      LEU  52  -2.913  -6.743  -5.896
  371    HB3  LEU  52           HB1      LEU  52  -1.973  -5.470  -5.125
  372    HG   LEU  52           HG       LEU  52  -5.002  -5.602  -5.259
  373   HD11  LEU  52          HD11      LEU  52  -4.863  -6.009  -2.882
  374   HD12  LEU  52          HD12      LEU  52  -3.109  -5.827  -2.910
  375   HD13  LEU  52          HD13      LEU  52  -3.871  -7.198  -3.723
  376   HD21  LEU  52          HD21      LEU  52  -3.069  -3.487  -4.407
  377   HD22  LEU  52          HD22      LEU  52  -4.515  -3.695  -3.418
  378   HD23  LEU  52          HD23      LEU  52  -4.660  -3.311  -5.131
  379    H    GLU  53           HN       GLU  53  -2.656  -6.672  -8.656
  380    HA   GLU  53           HA       GLU  53   0.204  -6.535  -8.934
  381    HB2  GLU  53           HB2      GLU  53  -1.844  -8.315  -9.678
  382    HB3  GLU  53           HB1      GLU  53  -1.225  -7.735 -11.221
  383    HG2  GLU  53           HG2      GLU  53   1.137  -8.267 -10.072
  384    HG3  GLU  53           HG1      GLU  53   0.153  -9.350  -9.089
  385    H    ASN  54           HN       ASN  54  -2.292  -4.596  -9.967
  386    HA   ASN  54           HA       ASN  54  -1.249  -3.775 -12.547
  387    HB2  ASN  54           HB2      ASN  54  -3.674  -3.583 -11.580
  388    HB3  ASN  54           HB1      ASN  54  -3.088  -2.102 -10.823
  389   HD21  ASN  54          HD21      ASN  54  -5.096  -2.333 -12.997
  390   HD22  ASN  54          HD22      ASN  54  -4.472  -1.463 -14.311
  391    H    TYR  55           HN       TYR  55  -0.768  -2.804  -9.217
  392    HA   TYR  55           HA       TYR  55   0.830  -0.432 -10.083
  393    HB2  TYR  55           HB2      TYR  55   0.144  -1.221  -7.250
  394    HB3  TYR  55           HB1      TYR  55   0.591   0.367  -7.863
  395    HD1  TYR  55           HD2      TYR  55  -2.039  -2.193  -7.809
  396    HD2  TYR  55           HD1      TYR  55  -1.010   1.796  -8.930
  397    HE1  TYR  55           HE2      TYR  55  -4.448  -1.710  -8.239
  398    HE2  TYR  55           HE1      TYR  55  -3.401   2.301  -9.369
  399    HH   TYR  55           HH       TYR  55  -5.905  -0.211  -8.991
  400    H    CYS  56           HN       CYS  56   1.426  -3.618  -9.714
  401    HA   CYS  56           HA       CYS  56   3.784  -3.456  -7.980
  402    HB2  CYS  56           HB2      CYS  56   2.702  -5.626  -9.792
  403    HB3  CYS  56           HB1      CYS  56   4.187  -5.798  -8.865
  404    H    ASN  57           HN       ASN  57   5.499  -2.305  -8.761
  405    HA   ASN  57           HA       ASN  57   7.109  -1.500 -10.275
  406    HB2  ASN  57           HB2      ASN  57   7.876  -3.823 -10.063
  407    HB3  ASN  57           HB1      ASN  57   6.750  -4.324 -11.325
  408   HD21  ASN  57          HD21      ASN  57   9.372  -4.883 -11.881
  409   HD22  ASN  57          HD22      ASN  57  10.004  -3.795 -13.021
  Start of MODEL   15
    1    H1   PHE   1           HT1      PHE   1  -5.244 -13.413   2.456
    2    H2   PHE   1           HT2      PHE   1  -6.759 -12.683   2.696
    3    H3   PHE   1           HT3      PHE   1  -5.366 -12.008   3.398
    4    HA   PHE   1           HA       PHE   1  -5.746 -10.645   1.592
    5    HB2  PHE   1           HB2      PHE   1  -3.446 -11.802   1.760
    6    HB3  PHE   1           HB1      PHE   1  -3.947 -12.765   0.382
    7    HD1  PHE   1           HD2      PHE   1  -5.562  -9.868  -0.441
    8    HD2  PHE   1           HD1      PHE   1  -1.566 -11.290   0.155
    9    HE1  PHE   1           HE2      PHE   1  -4.718  -8.119  -1.903
   10    HE2  PHE   1           HE1      PHE   1  -0.719  -9.519  -1.320
   11    HZ   PHE   1           HZ       PHE   1  -2.285  -7.923  -2.355
   12    H    VAL   2           HN       VAL   2  -7.848 -12.713   1.565
   13    HA   VAL   2           HA       VAL   2  -8.078 -13.379  -1.338
   14    HB   VAL   2           HB       VAL   2 -10.109 -14.730  -0.302
   15   HG11  VAL   2          HG11      VAL   2  -7.189 -15.434   0.082
   16   HG12  VAL   2          HG12      VAL   2  -8.204 -15.831  -1.305
   17   HG13  VAL   2          HG13      VAL   2  -8.510 -16.589   0.259
   18   HG21  VAL   2          HG21      VAL   2  -9.950 -15.229   2.004
   19   HG22  VAL   2          HG22      VAL   2  -9.648 -13.493   1.951
   20   HG23  VAL   2          HG23      VAL   2  -8.301 -14.616   2.117
   21    H    ASN   3           HN       ASN   3 -10.846 -13.097   0.761
   22    HA   ASN   3           HA       ASN   3 -11.940 -10.973  -1.015
   23    HB2  ASN   3           HB2      ASN   3 -13.436 -12.648   1.012
   24    HB3  ASN   3           HB1      ASN   3 -14.118 -11.688  -0.298
   25   HD21  ASN   3          HD21      ASN   3 -14.544 -12.818  -2.186
   26   HD22  ASN   3          HD22      ASN   3 -13.853 -14.309  -2.611
   27    H    GLN   4           HN       GLN   4 -10.057 -10.543   1.291
   28    HA   GLN   4           HA       GLN   4 -11.785  -9.048   3.192
   29    HB2  GLN   4           HB2      GLN   4  -9.322  -8.665   4.197
   30    HB3  GLN   4           HB1      GLN   4 -10.225 -10.147   4.484
   31    HG2  GLN   4           HG2      GLN   4  -9.077 -11.249   2.616
   32    HG3  GLN   4           HG1      GLN   4  -8.204  -9.758   2.257
   33   HE21  GLN   4          HE21      GLN   4  -7.921 -12.683   3.870
   34   HE22  GLN   4          HE22      GLN   4  -6.703 -12.262   4.972
   35    H    HIS   5           HN       HIS   5 -11.197  -6.831   3.744
   36    HA   HIS   5           HA       HIS   5 -10.536  -5.271   1.319
   37    HB2  HIS   5           HB2      HIS   5 -11.244  -3.348   2.915
   38    HB3  HIS   5           HB1      HIS   5 -12.488  -4.472   2.379
   39    HD2  HIS   5           HD2      HIS   5 -13.943  -4.208   4.827
   40    HE1  HIS   5           HE1      HIS   5 -10.969  -5.960   7.262
   41    HE2  HIS   5           HE2      HIS   5 -13.379  -5.153   7.183
   42    H    LEU   6           HN       LEU   6  -8.651  -4.186   1.071
   43    HA   LEU   6           HA       LEU   6  -6.634  -4.277   3.259
   44    HB2  LEU   6           HB2      LEU   6  -6.565  -3.906   0.283
   45    HB3  LEU   6           HB1      LEU   6  -5.289  -3.172   1.217
   46    HG   LEU   6           HG       LEU   6  -4.374  -5.207   1.865
   47   HD11  LEU   6          HD11      LEU   6  -5.804  -7.396   1.518
   48   HD12  LEU   6          HD12      LEU   6  -7.156  -6.279   1.651
   49   HD13  LEU   6          HD13      LEU   6  -5.996  -6.423   2.970
   50   HD21  LEU   6          HD21      LEU   6  -4.485  -6.731  -0.112
   51   HD22  LEU   6          HD22      LEU   6  -4.128  -5.071  -0.538
   52   HD23  LEU   6          HD23      LEU   6  -5.746  -5.730  -0.788
   53    H    CYS   7           HN       CYS   7  -6.092  -2.431   4.366
   54    HA   CYS   7           HA       CYS   7  -6.673   0.206   3.170
   55    HB2  CYS   7           HB2      CYS   7  -8.628  -0.870   4.706
   56    HB3  CYS   7           HB1      CYS   7  -7.670  -0.102   5.969
   57    H    GLY   8           HN       GLY   8  -4.962   1.481   3.573
   58    HA2  GLY   8           HA2      GLY   8  -3.125   2.430   4.704
   59    HA3  GLY   8           HA1      GLY   8  -3.666   1.602   6.163
   60    H    SER   9           HN       SER   9  -1.591   0.850   6.738
   61    HA   SER   9           HA       SER   9   0.388  -0.301   5.170
   62    HB2  SER   9           HB2      SER   9  -0.553  -1.095   7.935
   63    HB3  SER   9           HB1      SER   9   0.909  -1.740   7.195
   64    HG   SER   9           HG       SER   9   1.825   0.023   7.859
   65    H    ASP  10           HN       ASP  10  -2.674  -1.783   6.142
   66    HA   ASP  10           HA       ASP  10  -2.175  -4.483   5.599
   67    HB2  ASP  10           HB2      ASP  10  -4.575  -2.710   5.233
   68    HB3  ASP  10           HB1      ASP  10  -4.651  -4.367   4.646
   69    H    LEU  11           HN       LEU  11  -3.160  -1.970   3.256
   70    HA   LEU  11           HA       LEU  11  -3.059  -3.580   0.946
   71    HB2  LEU  11           HB2      LEU  11  -3.980  -1.326   0.828
   72    HB3  LEU  11           HB1      LEU  11  -2.436  -0.630   1.299
   73    HG   LEU  11           HG       LEU  11  -1.415  -1.326  -0.783
   74   HD11  LEU  11          HD11      LEU  11  -2.900  -2.421  -2.513
   75   HD12  LEU  11          HD12      LEU  11  -4.007  -2.798  -1.200
   76   HD13  LEU  11          HD13      LEU  11  -2.370  -3.454  -1.199
   77   HD21  LEU  11          HD21      LEU  11  -4.169  -0.221  -1.392
   78   HD22  LEU  11          HD22      LEU  11  -2.730  -0.066  -2.398
   79   HD23  LEU  11          HD23      LEU  11  -2.805   0.750  -0.837
   80    H    VAL  12           HN       VAL  12  -0.466  -1.542   2.331
   81    HA   VAL  12           HA       VAL  12   1.576  -2.100   0.512
   82    HB   VAL  12           HB       VAL  12   1.987  -2.022   3.512
   83   HG11  VAL  12          HG11      VAL  12   3.896  -2.550   1.827
   84   HG12  VAL  12          HG12      VAL  12   4.170  -1.277   3.012
   85   HG13  VAL  12          HG13      VAL  12   3.748  -0.857   1.354
   86   HG21  VAL  12          HG21      VAL  12   2.129   0.438   3.239
   87   HG22  VAL  12          HG22      VAL  12   0.523  -0.161   2.830
   88   HG23  VAL  12          HG23      VAL  12   1.656   0.268   1.551
   89    H    GLU  13           HN       GLU  13   1.258  -3.866   3.618
   90    HA   GLU  13           HA       GLU  13   3.021  -5.953   3.065
   91    HB2  GLU  13           HB2      GLU  13   0.353  -6.256   4.476
   92    HB3  GLU  13           HB1      GLU  13   1.762  -7.301   4.662
   93    HG2  GLU  13           HG2      GLU  13   3.061  -5.396   5.546
   94    HG3  GLU  13           HG1      GLU  13   1.650  -4.352   5.367
   95    H    ALA  14           HN       ALA  14  -0.158  -5.404   1.731
   96    HA   ALA  14           HA       ALA  14  -0.365  -8.113   0.630
   97    HB1  ALA  14           HB1      ALA  14  -2.118  -5.850   0.983
   98    HB2  ALA  14           HB2      ALA  14  -2.536  -7.510   0.584
   99    HB3  ALA  14           HB3      ALA  14  -2.182  -6.354  -0.703
  100    H    LEU  15           HN       LEU  15   0.079  -4.836  -0.841
  101    HA   LEU  15           HA       LEU  15   0.547  -5.746  -3.453
  102    HB2  LEU  15           HB2      LEU  15   1.749  -3.420  -1.953
  103    HB3  LEU  15           HB1      LEU  15   2.144  -3.736  -3.639
  104    HG   LEU  15           HG       LEU  15  -0.759  -3.584  -2.824
  105   HD11  LEU  15          HD11      LEU  15   0.529  -1.513  -1.976
  106   HD12  LEU  15          HD12      LEU  15  -0.820  -1.213  -3.066
  107   HD13  LEU  15          HD13      LEU  15   0.832  -1.150  -3.672
  108   HD21  LEU  15          HD21      LEU  15  -0.031  -4.310  -5.128
  109   HD22  LEU  15          HD22      LEU  15   0.694  -2.722  -5.341
  110   HD23  LEU  15          HD23      LEU  15  -1.047  -2.872  -5.124
  111    H    TYR  16           HN       TYR  16   2.682  -5.746  -0.647
  112    HA   TYR  16           HA       TYR  16   5.152  -6.265  -1.854
  113    HB2  TYR  16           HB2      TYR  16   4.942  -5.961   0.544
  114    HB3  TYR  16           HB1      TYR  16   4.027  -7.459   0.685
  115    HD1  TYR  16           HD2      TYR  16   7.257  -6.278  -0.848
  116    HD2  TYR  16           HD1      TYR  16   5.228  -9.329   1.381
  117    HE1  TYR  16           HE2      TYR  16   9.378  -7.546  -0.656
  118    HE2  TYR  16           HE1      TYR  16   7.348 -10.603   1.577
  119    HH   TYR  16           HH       TYR  16   9.749 -10.193   1.478
  120    H    LEU  17           HN       LEU  17   2.678  -8.749  -0.995
  121    HA   LEU  17           HA       LEU  17   4.212 -10.901  -2.167
  122    HB2  LEU  17           HB2      LEU  17   1.204 -10.722  -1.812
  123    HB3  LEU  17           HB1      LEU  17   2.118 -12.178  -2.139
  124    HG   LEU  17           HG       LEU  17   3.395 -11.744   0.015
  125   HD11  LEU  17          HD11      LEU  17   3.026  -9.548   0.658
  126   HD12  LEU  17          HD12      LEU  17   1.801 -10.347   1.630
  127   HD13  LEU  17          HD13      LEU  17   1.352  -9.546   0.129
  128   HD21  LEU  17          HD21      LEU  17   1.814 -13.497   0.090
  129   HD22  LEU  17          HD22      LEU  17   0.448 -12.403  -0.112
  130   HD23  LEU  17          HD23      LEU  17   1.312 -12.458   1.423
  131    H    VAL  18           HN       VAL  18   1.421  -9.017  -3.313
  132    HA   VAL  18           HA       VAL  18   1.102 -10.124  -5.860
  133    HB   VAL  18           HB       VAL  18   0.926  -7.180  -5.176
  134   HG11  VAL  18          HG11      VAL  18   0.778  -7.844  -7.594
  135   HG12  VAL  18          HG12      VAL  18  -0.642  -7.027  -6.960
  136   HG13  VAL  18          HG13      VAL  18  -0.659  -8.773  -7.179
  137   HG21  VAL  18          HG21      VAL  18  -0.346  -8.575  -3.574
  138   HG22  VAL  18          HG22      VAL  18  -1.172  -9.349  -4.925
  139   HG23  VAL  18          HG23      VAL  18  -1.418  -7.634  -4.607
  140    H    CYS  19           HN       CYS  19   3.045  -7.227  -5.122
  141    HA   CYS  19           HA       CYS  19   4.335  -7.279  -7.720
  142    HB2  CYS  19           HB2      CYS  19   5.345  -5.770  -5.314
  143    HB3  CYS  19           HB1      CYS  19   5.418  -5.315  -7.012
  144    H    GLY  20           HN       GLY  20   4.981  -8.650  -4.614
  145    HA2  GLY  20           HA2      GLY  20   6.758  -9.966  -3.830
  146    HA3  GLY  20           HA1      GLY  20   6.952 -10.441  -5.515
  147    H    GLU  21           HN       GLU  21   9.089 -10.226  -5.984
  148    HA   GLU  21           HA       GLU  21  10.758  -8.212  -4.704
  149    HB2  GLU  21           HB2      GLU  21  11.256 -10.155  -6.972
  150    HB3  GLU  21           HB1      GLU  21  12.492  -9.074  -6.329
  151    HG2  GLU  21           HG2      GLU  21  12.045 -10.056  -4.048
  152    HG3  GLU  21           HG1      GLU  21  11.005 -11.246  -4.832
  153    H    ARG  22           HN       ARG  22   8.716  -8.227  -7.450
  154    HA   ARG  22           HA       ARG  22  10.079  -6.540  -9.247
  155    HB2  ARG  22           HB2      ARG  22   7.122  -6.409  -8.586
  156    HB3  ARG  22           HB1      ARG  22   7.890  -5.894 -10.086
  157    HG2  ARG  22           HG2      ARG  22   8.459  -8.149 -10.674
  158    HG3  ARG  22           HG1      ARG  22   8.068  -8.741  -9.069
  159    HD2  ARG  22           HD2      ARG  22   5.883  -9.026  -9.626
  160    HD3  ARG  22           HD1      ARG  22   5.751  -7.379 -10.214
  161    HE   ARG  22           HE       ARG  22   5.861  -9.733 -11.820
  162   HH11  ARG  22          HH21      ARG  22   7.387  -6.643 -11.619
  163   HH12  ARG  22          HH22      ARG  22   7.849  -6.625 -13.287
  164   HH21  ARG  22          HH11      ARG  22   6.453  -9.716 -13.986
  165   HH22  ARG  22          HH12      ARG  22   7.321  -8.360 -14.624
  166    H    GLY  23           HN       GLY  23   8.572  -5.819  -6.167
  167    HA2  GLY  23           HA2      GLY  23   8.806  -3.871  -4.861
  168    HA3  GLY  23           HA1      GLY  23   9.836  -3.192  -6.126
  169    H    PHE  24           HN       PHE  24   7.677  -1.765  -4.791
  170    HA   PHE  24           HA       PHE  24   6.205  -0.934  -7.190
  171    HB2  PHE  24           HB2      PHE  24   4.003  -1.296  -6.250
  172    HB3  PHE  24           HB1      PHE  24   4.880  -2.823  -6.238
  173    HD1  PHE  24           HD1      PHE  24   5.730  -3.785  -4.150
  174    HD2  PHE  24           HD2      PHE  24   3.524  -0.095  -4.161
  175    HE1  PHE  24           HE1      PHE  24   5.415  -3.961  -1.698
  176    HE2  PHE  24           HE2      PHE  24   3.203  -0.288  -1.708
  177    HZ   PHE  24           HZ       PHE  24   4.149  -2.216  -0.483
  178    H    PHE  25           HN       PHE  25   4.661   0.882  -6.554
  179    HA   PHE  25           HA       PHE  25   5.933   2.601  -4.454
  180    HB2  PHE  25           HB2      PHE  25   5.084   4.511  -5.854
  181    HB3  PHE  25           HB1      PHE  25   6.295   3.526  -6.676
  182    HD1  PHE  25           HD1      PHE  25   2.659   4.259  -6.427
  183    HD2  PHE  25           HD2      PHE  25   5.738   2.191  -8.600
  184    HE1  PHE  25           HE1      PHE  25   1.042   3.778  -8.253
  185    HE2  PHE  25           HE2      PHE  25   4.127   1.717 -10.425
  186    HZ   PHE  25           HZ       PHE  25   1.784   2.509 -10.252
  187    H    TYR  26           HN       TYR  26   4.588   3.333  -2.853
  188    HA   TYR  26           HA       TYR  26   1.840   2.383  -2.798
  189    HB2  TYR  26           HB2      TYR  26   3.428   2.865  -0.766
  190    HB3  TYR  26           HB1      TYR  26   2.901   4.538  -0.957
  191    HD1  TYR  26           HD1      TYR  26   1.472   1.069  -0.829
  192    HD2  TYR  26           HD2      TYR  26   0.936   5.216   0.164
  193    HE1  TYR  26           HE1      TYR  26  -0.641   0.534   0.349
  194    HE2  TYR  26           HE2      TYR  26  -1.168   4.665   1.346
  195    HH   TYR  26           HH       TYR  26  -2.924   2.273   0.941
  196    H    THR  27           HN       THR  27   0.051   4.161  -2.335
  197    HA   THR  27           HA       THR  27  -0.059   5.790  -4.681
  198    HB   THR  27           HB       THR  27  -2.090   5.037  -3.528
  199    HG1  THR  27           HG1      THR  27  -3.117   7.083  -3.554
  200   HG21  THR  27          HG21      THR  27  -1.212   6.945  -1.337
  201   HG22  THR  27          HG22      THR  27  -1.310   5.193  -1.218
  202   HG23  THR  27          HG23      THR  27  -2.777   6.137  -1.417
  203    H    ASP  28           HN       ASP  28  -0.503   8.289  -4.415
  204    HA   ASP  28           HA       ASP  28   1.848   9.573  -3.913
  205    HB2  ASP  28           HB2      ASP  28  -0.812  10.368  -4.459
  206    HB3  ASP  28           HB1      ASP  28  -0.305  11.364  -3.099
  207    HA   PRO  29           HA       PRO  29   2.346   9.594   0.542
  208    HB2  PRO  29           HB2      PRO  29   4.092  11.724   0.805
  209    HB3  PRO  29           HB1      PRO  29   4.581  10.127   0.219
  210    HG2  PRO  29           HG2      PRO  29   4.147  12.647  -1.325
  211    HG3  PRO  29           HG1      PRO  29   5.232  11.294  -1.674
  212    HD2  PRO  29           HD2      PRO  29   2.750  11.750  -2.931
  213    HD3  PRO  29           HD1      PRO  29   3.661  10.223  -2.939
  214    H    THR  30           HN       THR  30   0.849  12.133  -1.162
  215    HA   THR  30           HA       THR  30   0.652  14.224   0.692
  216    HB   THR  30           HB       THR  30  -1.358  14.898  -0.483
  217    HG1  THR  30           HG1      THR  30  -2.262  12.727  -0.439
  218   HG21  THR  30          HG21      THR  30  -0.511  14.808  -2.779
  219   HG22  THR  30          HG22      THR  30   0.542  13.459  -2.355
  220   HG23  THR  30          HG23      THR  30   0.828  15.053  -1.658
  221    H    GLY  31           HN       GLY  31  -1.338  11.274   0.560
  222    HA2  GLY  31           HA2      GLY  31  -2.640  10.305   2.265
  223    HA3  GLY  31           HA1      GLY  31  -1.833  11.387   3.394
  224    H    GLY  32           HN       GLY  32  -2.842  13.643   1.441
  225    HA2  GLY  32           HA2      GLY  32  -5.444  13.987   2.853
  226    HA3  GLY  32           HA1      GLY  32  -4.539  15.266   2.040
  227    H    GLY  33           HN       GLY  33  -4.138  13.131  -0.165
  228    HA2  GLY  33           HA2      GLY  33  -6.682  12.572  -1.337
  229    HA3  GLY  33           HA1      GLY  33  -6.046  14.072  -2.020
  230    HA   PRO  34           HA       PRO  34  -2.611  10.938  -3.094
  231    HB2  PRO  34           HB2      PRO  34  -2.907   8.353  -2.125
  232    HB3  PRO  34           HB1      PRO  34  -1.993   9.614  -1.298
  233    HG2  PRO  34           HG2      PRO  34  -4.716   8.545  -0.699
  234    HG3  PRO  34           HG1      PRO  34  -3.503   9.206   0.412
  235    HD2  PRO  34           HD2      PRO  34  -5.756  10.602  -0.466
  236    HD3  PRO  34           HD1      PRO  34  -4.273  11.355   0.159
  237    H    ARG  35           HN       ARG  35  -2.591   8.625  -4.365
  238    HA   ARG  35           HA       ARG  35  -4.561   8.760  -6.414
  239    HB2  ARG  35           HB2      ARG  35  -2.256   7.486  -6.336
  240    HB3  ARG  35           HB1      ARG  35  -3.203   6.156  -5.676
  241    HG2  ARG  35           HG2      ARG  35  -4.668   6.187  -7.632
  242    HG3  ARG  35           HG1      ARG  35  -3.789   7.559  -8.301
  243    HD2  ARG  35           HD2      ARG  35  -1.692   5.981  -8.031
  244    HD3  ARG  35           HD1      ARG  35  -2.893   4.693  -8.012
  245    HE   ARG  35           HE       ARG  35  -1.934   6.054 -10.327
  246   HH11  ARG  35          HH21      ARG  35  -4.917   5.072  -8.892
  247   HH12  ARG  35          HH22      ARG  35  -5.819   5.240 -10.357
  248   HH21  ARG  35          HH11      ARG  35  -3.093   6.250 -12.237
  249   HH22  ARG  35          HH12      ARG  35  -4.788   5.896 -12.250
  250    H    ARG  36           HN       ARG  36  -6.583   8.913  -5.255
  251    HA   ARG  36           HA       ARG  36  -7.478   6.984  -3.358
  252    HB2  ARG  36           HB2      ARG  36  -9.815   7.798  -4.256
  253    HB3  ARG  36           HB1      ARG  36  -8.770   8.940  -3.409
  254    HG2  ARG  36           HG2      ARG  36  -8.065   9.978  -5.403
  255    HG3  ARG  36           HG1      ARG  36  -8.591   8.623  -6.400
  256    HD2  ARG  36           HD2      ARG  36 -10.406  10.529  -4.891
  257    HD3  ARG  36           HD1      ARG  36 -10.155  10.502  -6.636
  258    HE   ARG  36           HE       ARG  36 -10.996   7.926  -6.041
  259   HH11  ARG  36          HH21      ARG  36 -12.123  11.133  -5.462
  260   HH12  ARG  36          HH22      ARG  36 -13.797  10.688  -5.466
  261   HH21  ARG  36          HH11      ARG  36 -13.177   7.326  -6.047
  262   HH22  ARG  36          HH12      ARG  36 -14.394   8.533  -5.797
  263    H    GLY  37           HN       GLY  37  -6.516   6.320  -6.367
  264    HA2  GLY  37           HA2      GLY  37  -8.720   4.592  -7.222
  265    HA3  GLY  37           HA1      GLY  37  -7.182   4.791  -8.050
  266    H    ILE  38           HN       ILE  38  -5.791   4.233  -5.329
  267    HA   ILE  38           HA       ILE  38  -5.923   1.270  -5.634
  268    HB   ILE  38           HB       ILE  38  -3.755   2.903  -5.662
  269   HG12  ILE  38          HG12      ILE  38  -3.421   0.701  -6.359
  270   HG13  ILE  38          HG11      ILE  38  -2.399   0.803  -4.948
  271   HG21  ILE  38          HG21      ILE  38  -3.862   1.919  -2.795
  272   HG22  ILE  38          HG22      ILE  38  -3.945   3.597  -3.325
  273   HG23  ILE  38          HG23      ILE  38  -2.478   2.666  -3.583
  274   HD11  ILE  38          HD11      ILE  38  -3.461  -1.174  -4.476
  275   HD12  ILE  38          HD12      ILE  38  -4.917  -0.750  -5.362
  276   HD13  ILE  38          HD13      ILE  38  -4.636  -0.091  -3.753
  277    H    VAL  39           HN       VAL  39  -5.670   3.645  -2.964
  278    HA   VAL  39           HA       VAL  39  -6.129   1.770  -0.898
  279    HB   VAL  39           HB       VAL  39  -7.034   4.644  -0.736
  280   HG11  VAL  39          HG11      VAL  39  -6.379   4.421   1.575
  281   HG12  VAL  39          HG12      VAL  39  -5.619   2.861   1.264
  282   HG13  VAL  39          HG13      VAL  39  -7.373   3.021   1.172
  283   HG21  VAL  39          HG21      VAL  39  -4.924   4.955  -1.720
  284   HG22  VAL  39          HG22      VAL  39  -4.240   3.518  -0.958
  285   HG23  VAL  39          HG23      VAL  39  -4.536   4.970  -0.002
  286    H    GLU  40           HN       GLU  40  -8.538   4.166  -2.040
  287    HA   GLU  40           HA       GLU  40 -10.694   2.982  -0.662
  288    HB2  GLU  40           HB2      GLU  40 -12.041   4.531  -1.746
  289    HB3  GLU  40           HB1      GLU  40 -10.456   5.272  -1.927
  290    HG2  GLU  40           HG2      GLU  40 -11.287   5.405  -4.105
  291    HG3  GLU  40           HG1      GLU  40 -10.363   3.907  -4.153
  292    H    GLN  41           HN       GLN  41  -9.484   2.269  -3.928
  293    HA   GLN  41           HA       GLN  41 -11.620   0.653  -4.811
  294    HB2  GLN  41           HB2      GLN  41  -9.588   1.352  -6.155
  295    HB3  GLN  41           HB1      GLN  41  -8.690   0.067  -5.343
  296    HG2  GLN  41           HG2      GLN  41 -10.449  -1.554  -6.144
  297    HG3  GLN  41           HG1      GLN  41 -11.143  -0.244  -7.097
  298   HE21  GLN  41          HE21      GLN  41 -10.607  -0.941  -9.183
  299   HE22  GLN  41          HE22      GLN  41  -9.018  -1.179  -9.708
  300    H    CYS  42           HN       CYS  42  -8.658  -0.387  -3.102
  301    HA   CYS  42           HA       CYS  42  -9.854  -3.028  -2.620
  302    HB2  CYS  42           HB2      CYS  42  -7.226  -1.883  -1.646
  303    HB3  CYS  42           HB1      CYS  42  -7.718  -3.576  -1.619
  304    H    CYS  43           HN       CYS  43  -9.419  -0.019  -0.828
  305    HA   CYS  43           HA       CYS  43 -10.011  -1.325   1.747
  306    HB2  CYS  43           HB2      CYS  43  -8.527   0.658   1.719
  307    HB3  CYS  43           HB1      CYS  43  -9.844   1.629   1.058
  308    H    HIS  44           HN       HIS  44 -11.667   1.068  -0.344
  309    HA   HIS  44           HA       HIS  44 -14.120   0.900   1.181
  310    HB2  HIS  44           HB2      HIS  44 -13.326   2.798  -0.410
  311    HB3  HIS  44           HB1      HIS  44 -13.964   1.788  -1.705
  312    HD2  HIS  44           HD2      HIS  44 -16.828   1.448  -1.646
  313    HE1  HIS  44           HE1      HIS  44 -17.496   4.415   1.286
  314    HE2  HIS  44           HE2      HIS  44 -18.607   2.898  -0.425
  315    H    SER  45           HN       SER  45 -12.734  -0.908  -1.467
  316    HA   SER  45           HA       SER  45 -15.128  -2.705  -1.418
  317    HB2  SER  45           HB2      SER  45 -13.715  -2.008  -3.995
  318    HB3  SER  45           HB1      SER  45 -15.250  -2.842  -3.784
  319    HG   SER  45           HG       SER  45 -16.160  -0.960  -3.794
  320    H    ILE  46           HN       ILE  46 -14.624  -4.880  -2.214
  321    HA   ILE  46           HA       ILE  46 -11.962  -5.735  -1.338
  322    HB   ILE  46           HB       ILE  46 -14.032  -7.547  -2.588
  323   HG12  ILE  46          HG12      ILE  46 -15.253  -6.061  -0.983
  324   HG13  ILE  46          HG11      ILE  46 -15.209  -7.741  -0.467
  325   HG21  ILE  46          HG21      ILE  46 -12.012  -7.840  -0.349
  326   HG22  ILE  46          HG22      ILE  46 -11.955  -8.592  -1.945
  327   HG23  ILE  46          HG23      ILE  46 -13.199  -9.065  -0.790
  328   HD11  ILE  46          HD11      ILE  46 -13.381  -7.266   1.085
  329   HD12  ILE  46          HD12      ILE  46 -14.718  -6.164   1.395
  330   HD13  ILE  46          HD13      ILE  46 -13.302  -5.600   0.517
  331    H    CYS  47           HN       CYS  47 -10.423  -5.183  -2.892
  332    HA   CYS  47           HA       CYS  47 -10.985  -5.785  -5.744
  333    HB2  CYS  47           HB2      CYS  47  -9.100  -4.465  -6.265
  334    HB3  CYS  47           HB1      CYS  47  -9.812  -3.642  -4.881
  335    H    SER  48           HN       SER  48  -9.746  -7.281  -6.945
  336    HA   SER  48           HA       SER  48  -8.632  -9.488  -5.359
  337    HB2  SER  48           HB2      SER  48  -8.406  -9.468  -8.343
  338    HB3  SER  48           HB1      SER  48  -8.875 -10.777  -7.263
  339    HG   SER  48           HG       SER  48 -10.769  -9.207  -6.882
  340    H    LEU  49           HN       LEU  49  -6.463 -10.405  -6.100
  341    HA   LEU  49           HA       LEU  49  -4.392  -8.513  -5.697
  342    HB2  LEU  49           HB2      LEU  49  -4.097 -11.151  -7.152
  343    HB3  LEU  49           HB1      LEU  49  -2.860 -10.296  -6.237
  344    HG   LEU  49           HG       LEU  49  -5.307 -11.724  -5.175
  345   HD11  LEU  49          HD11      LEU  49  -3.280 -13.082  -5.471
  346   HD12  LEU  49          HD12      LEU  49  -3.591 -12.835  -3.752
  347   HD13  LEU  49          HD13      LEU  49  -2.338 -11.897  -4.565
  348   HD21  LEU  49          HD21      LEU  49  -3.552  -9.662  -3.851
  349   HD22  LEU  49          HD22      LEU  49  -4.429 -10.871  -2.915
  350   HD23  LEU  49          HD23      LEU  49  -5.313  -9.707  -3.900
  351    H    TYR  50           HN       TYR  50  -5.903  -9.766  -8.579
  352    HA   TYR  50           HA       TYR  50  -4.251  -9.062 -10.641
  353    HB2  TYR  50           HB2      TYR  50  -6.707  -9.977 -10.539
  354    HB3  TYR  50           HB1      TYR  50  -7.164  -8.281 -10.714
  355    HD1  TYR  50           HD2      TYR  50  -5.283 -11.051 -12.183
  356    HD2  TYR  50           HD1      TYR  50  -6.892  -7.144 -12.777
  357    HE1  TYR  50           HE2      TYR  50  -4.817 -11.249 -14.624
  358    HE2  TYR  50           HE1      TYR  50  -6.438  -7.308 -15.220
  359    HH   TYR  50           HH       TYR  50  -5.789  -8.666 -16.881
  360    H    GLN  51           HN       GLN  51  -6.665  -6.899  -9.202
  361    HA   GLN  51           HA       GLN  51  -5.797  -4.560 -10.602
  362    HB2  GLN  51           HB2      GLN  51  -7.027  -4.506  -7.836
  363    HB3  GLN  51           HB1      GLN  51  -7.198  -3.337  -9.142
  364    HG2  GLN  51           HG2      GLN  51  -8.233  -5.308 -10.501
  365    HG3  GLN  51           HG1      GLN  51  -8.433  -6.079  -8.932
  366   HE21  GLN  51          HE21      GLN  51  -9.316  -3.159 -10.789
  367   HE22  GLN  51          HE22      GLN  51 -10.706  -2.802  -9.883
  368    H    LEU  52           HN       LEU  52  -4.890  -5.893  -7.435
  369    HA   LEU  52           HA       LEU  52  -3.170  -3.744  -6.705
  370    HB2  LEU  52           HB2      LEU  52  -3.014  -6.676  -6.006
  371    HB3  LEU  52           HB1      LEU  52  -2.075  -5.413  -5.220
  372    HG   LEU  52           HG       LEU  52  -5.104  -5.593  -5.270
  373   HD11  LEU  52          HD11      LEU  52  -3.895  -7.217  -3.818
  374   HD12  LEU  52          HD12      LEU  52  -4.890  -6.076  -2.913
  375   HD13  LEU  52          HD13      LEU  52  -3.141  -5.858  -2.982
  376   HD21  LEU  52          HD21      LEU  52  -3.183  -3.474  -4.402
  377   HD22  LEU  52          HD22      LEU  52  -4.601  -3.739  -3.385
  378   HD23  LEU  52          HD23      LEU  52  -4.796  -3.302  -5.080
  379    H    GLU  53           HN       GLU  53  -2.817  -6.510  -8.774
  380    HA   GLU  53           HA       GLU  53   0.035  -6.290  -9.106
  381    HB2  GLU  53           HB2      GLU  53  -1.972  -8.110  -9.853
  382    HB3  GLU  53           HB1      GLU  53  -1.423  -7.459 -11.394
  383    HG2  GLU  53           HG2      GLU  53   0.993  -7.952 -10.318
  384    HG3  GLU  53           HG1      GLU  53   0.065  -9.116  -9.374
  385    H    ASN  54           HN       ASN  54  -2.538  -4.396 -10.043
  386    HA   ASN  54           HA       ASN  54  -1.552  -3.484 -12.614
  387    HB2  ASN  54           HB2      ASN  54  -3.970  -3.378 -11.601
  388    HB3  ASN  54           HB1      ASN  54  -3.409  -1.891 -10.837
  389   HD21  ASN  54          HD21      ASN  54  -5.447  -2.142 -12.980
  390   HD22  ASN  54          HD22      ASN  54  -4.864  -1.244 -14.294
  391    H    TYR  55           HN       TYR  55  -1.053  -2.590  -9.267
  392    HA   TYR  55           HA       TYR  55   0.469  -0.155 -10.087
  393    HB2  TYR  55           HB2      TYR  55  -0.151  -1.043  -7.267
  394    HB3  TYR  55           HB1      TYR  55   0.244   0.573  -7.840
  395    HD1  TYR  55           HD2      TYR  55  -2.319  -2.048  -7.794
  396    HD2  TYR  55           HD1      TYR  55  -1.410   1.985  -8.863
  397    HE1  TYR  55           HE2      TYR  55  -4.749  -1.618  -8.165
  398    HE2  TYR  55           HE1      TYR  55  -3.824   2.434  -9.244
  399    HH   TYR  55           HH       TYR  55  -6.148  -0.055  -9.434
  400    H    CYS  56           HN       CYS  56   1.166  -3.327  -9.843
  401    HA   CYS  56           HA       CYS  56   3.537  -3.165  -8.126
  402    HB2  CYS  56           HB2      CYS  56   2.478  -5.293  -9.999
  403    HB3  CYS  56           HB1      CYS  56   3.999  -5.456  -9.133
  404    H    ASN  57           HN       ASN  57   5.156  -1.864  -8.896
  405    HA   ASN  57           HA       ASN  57   6.686  -0.913 -10.415
  406    HB2  ASN  57           HB2      ASN  57   7.657  -3.155 -10.119
  407    HB3  ASN  57           HB1      ASN  57   6.630  -3.777 -11.410
  408   HD21  ASN  57          HD21      ASN  57   9.251  -1.426 -10.777
  409   HD22  ASN  57          HD22      ASN  57   9.846  -1.417 -12.366
  Start of MODEL   16
    1    H1   PHE   1           HT1      PHE   1  -6.616 -12.752   3.022
    2    H2   PHE   1           HT2      PHE   1  -5.525 -11.816   3.927
    3    H3   PHE   1           HT3      PHE   1  -4.976 -13.180   3.075
    4    HA   PHE   1           HA       PHE   1  -5.670 -10.517   2.094
    5    HB2  PHE   1           HB2      PHE   1  -3.333 -11.476   2.438
    6    HB3  PHE   1           HB1      PHE   1  -3.669 -12.572   1.109
    7    HD1  PHE   1           HD2      PHE   1  -5.392  -9.752   0.051
    8    HD2  PHE   1           HD1      PHE   1  -1.382 -11.057   0.820
    9    HE1  PHE   1           HE2      PHE   1  -4.548  -8.087  -1.503
   10    HE2  PHE   1           HE1      PHE   1  -0.535  -9.360  -0.746
   11    HZ   PHE   1           HZ       PHE   1  -2.111  -7.867  -1.912
   12    H    VAL   2           HN       VAL   2  -7.682 -12.618   1.896
   13    HA   VAL   2           HA       VAL   2  -7.639 -13.350  -0.998
   14    HB   VAL   2           HB       VAL   2  -9.745 -14.696  -0.129
   15   HG11  VAL   2          HG11      VAL   2  -8.227 -16.537   0.589
   16   HG12  VAL   2          HG12      VAL   2  -6.892 -15.385   0.643
   17   HG13  VAL   2          HG13      VAL   2  -7.675 -15.757  -0.893
   18   HG21  VAL   2          HG21      VAL   2  -9.848 -15.102   2.189
   19   HG22  VAL   2          HG22      VAL   2  -9.499 -13.375   2.128
   20   HG23  VAL   2          HG23      VAL   2  -8.206 -14.523   2.464
   21    H    ASN   3           HN       ASN   3 -10.590 -13.035   0.829
   22    HA   ASN   3           HA       ASN   3 -11.520 -10.943  -1.063
   23    HB2  ASN   3           HB2      ASN   3 -13.791 -11.617  -0.221
   24    HB3  ASN   3           HB1      ASN   3 -12.913 -12.902  -1.028
   25   HD21  ASN   3          HD21      ASN   3 -11.308 -12.554   1.805
   26   HD22  ASN   3          HD22      ASN   3 -12.146 -13.690   2.729
   27    H    GLN   4           HN       GLN   4  -9.853 -10.442   1.360
   28    HA   GLN   4           HA       GLN   4 -11.757  -8.967   3.103
   29    HB2  GLN   4           HB2      GLN   4  -9.361  -8.476   4.237
   30    HB3  GLN   4           HB1      GLN   4 -10.258  -9.959   4.539
   31    HG2  GLN   4           HG2      GLN   4  -8.984 -11.119   2.786
   32    HG3  GLN   4           HG1      GLN   4  -8.105  -9.631   2.427
   33   HE21  GLN   4          HE21      GLN   4  -7.937 -12.481   4.202
   34   HE22  GLN   4          HE22      GLN   4  -6.783 -12.008   5.351
   35    H    HIS   5           HN       HIS   5 -11.348  -6.712   3.578
   36    HA   HIS   5           HA       HIS   5 -10.553  -5.223   1.159
   37    HB2  HIS   5           HB2      HIS   5 -11.450  -3.268   2.531
   38    HB3  HIS   5           HB1      HIS   5 -12.618  -4.521   2.126
   39    HD2  HIS   5           HD2      HIS   5 -11.310  -2.755   5.245
   40    HE1  HIS   5           HE1      HIS   5 -13.113  -6.321   6.615
   41    HE2  HIS   5           HE2      HIS   5 -12.158  -4.073   7.320
   42    H    LEU   6           HN       LEU   6  -8.703  -4.079   0.976
   43    HA   LEU   6           HA       LEU   6  -6.817  -4.006   3.276
   44    HB2  LEU   6           HB2      LEU   6  -6.586  -3.768   0.292
   45    HB3  LEU   6           HB1      LEU   6  -5.388  -2.949   1.264
   46    HG   LEU   6           HG       LEU   6  -4.437  -4.920   2.038
   47   HD11  LEU   6          HD11      LEU   6  -6.067  -6.122   3.156
   48   HD12  LEU   6          HD12      LEU   6  -5.785  -7.171   1.775
   49   HD13  LEU   6          HD13      LEU   6  -7.177  -6.095   1.789
   50   HD21  LEU   6          HD21      LEU   6  -4.427  -6.561   0.158
   51   HD22  LEU   6          HD22      LEU   6  -4.110  -4.920  -0.363
   52   HD23  LEU   6          HD23      LEU   6  -5.696  -5.651  -0.622
   53    H    CYS   7           HN       CYS   7  -6.467  -2.130   4.373
   54    HA   CYS   7           HA       CYS   7  -7.126   0.463   3.068
   55    HB2  CYS   7           HB2      CYS   7  -8.206  -0.396   5.772
   56    HB3  CYS   7           HB1      CYS   7  -8.402   1.199   5.045
   57    H    GLY   8           HN       GLY   8  -5.475   1.827   3.417
   58    HA2  GLY   8           HA2      GLY   8  -3.681   2.903   4.501
   59    HA3  GLY   8           HA1      GLY   8  -4.186   2.112   5.993
   60    H    SER   9           HN       SER   9  -2.031   1.563   6.567
   61    HA   SER   9           HA       SER   9  -0.006   0.418   5.063
   62    HB2  SER   9           HB2      SER   9  -0.864  -0.340   7.871
   63    HB3  SER   9           HB1      SER   9   0.676  -0.789   7.146
   64    HG   SER   9           HG       SER   9   0.688   1.178   8.431
   65    H    ASP  10           HN       ASP  10  -2.991  -1.160   6.108
   66    HA   ASP  10           HA       ASP  10  -2.351  -3.859   5.781
   67    HB2  ASP  10           HB2      ASP  10  -4.835  -2.282   5.103
   68    HB3  ASP  10           HB1      ASP  10  -4.763  -4.020   4.814
   69    H    LEU  11           HN       LEU  11  -3.354  -1.568   3.234
   70    HA   LEU  11           HA       LEU  11  -3.130  -3.326   1.048
   71    HB2  LEU  11           HB2      LEU  11  -4.101  -1.112   0.740
   72    HB3  LEU  11           HB1      LEU  11  -2.592  -0.343   1.215
   73    HG   LEU  11           HG       LEU  11  -1.477  -1.145  -0.773
   74   HD11  LEU  11          HD11      LEU  11  -2.849  -2.415  -2.474
   75   HD12  LEU  11          HD12      LEU  11  -4.009  -2.725  -1.190
   76   HD13  LEU  11          HD13      LEU  11  -2.359  -3.333  -1.062
   77   HD21  LEU  11          HD21      LEU  11  -2.829  -0.093  -2.542
   78   HD22  LEU  11          HD22      LEU  11  -2.861   0.876  -1.070
   79   HD23  LEU  11          HD23      LEU  11  -4.243  -0.137  -1.490
   80    H    VAL  12           HN       VAL  12  -0.656  -1.038   2.256
   81    HA   VAL  12           HA       VAL  12   1.476  -1.686   0.606
   82    HB   VAL  12           HB       VAL  12   1.748  -1.352   3.606
   83   HG11  VAL  12          HG11      VAL  12   3.929  -0.550   3.132
   84   HG12  VAL  12          HG12      VAL  12   3.578  -0.362   1.415
   85   HG13  VAL  12          HG13      VAL  12   3.758  -1.973   2.108
   86   HG21  VAL  12          HG21      VAL  12   1.450   0.742   1.433
   87   HG22  VAL  12          HG22      VAL  12   1.862   1.081   3.112
   88   HG23  VAL  12          HG23      VAL  12   0.283   0.407   2.711
   89    H    GLU  13           HN       GLU  13   1.089  -3.223   3.822
   90    HA   GLU  13           HA       GLU  13   2.944  -5.278   3.502
   91    HB2  GLU  13           HB2      GLU  13   0.231  -5.526   4.836
   92    HB3  GLU  13           HB1      GLU  13   1.627  -6.564   5.128
   93    HG2  GLU  13           HG2      GLU  13   2.912  -4.583   5.901
   94    HG3  GLU  13           HG1      GLU  13   1.478  -3.583   5.668
   95    H    ALA  14           HN       ALA  14  -0.254  -5.001   2.086
   96    HA   ALA  14           HA       ALA  14  -0.290  -7.771   1.159
   97    HB1  ALA  14           HB1      ALA  14  -2.483  -7.274   0.986
   98    HB2  ALA  14           HB2      ALA  14  -2.129  -6.185  -0.360
   99    HB3  ALA  14           HB3      ALA  14  -2.149  -5.573   1.288
  100    H    LEU  15           HN       LEU  15   0.078  -4.597  -0.544
  101    HA   LEU  15           HA       LEU  15   0.652  -5.667  -3.068
  102    HB2  LEU  15           HB2      LEU  15   1.746  -3.212  -1.702
  103    HB3  LEU  15           HB1      LEU  15   2.210  -3.637  -3.346
  104    HG   LEU  15           HG       LEU  15  -0.722  -3.500  -2.650
  105   HD11  LEU  15          HD11      LEU  15   0.492  -1.342  -1.912
  106   HD12  LEU  15          HD12      LEU  15  -0.822  -1.153  -3.068
  107   HD13  LEU  15          HD13      LEU  15   0.850  -1.098  -3.619
  108   HD21  LEU  15          HD21      LEU  15  -0.927  -2.944  -5.010
  109   HD22  LEU  15          HD22      LEU  15   0.086  -4.376  -4.864
  110   HD23  LEU  15          HD23      LEU  15   0.821  -2.806  -5.167
  111    H    TYR  16           HN       TYR  16   2.733  -5.351  -0.237
  112    HA   TYR  16           HA       TYR  16   5.237  -5.884  -1.335
  113    HB2  TYR  16           HB2      TYR  16   4.955  -5.394   1.023
  114    HB3  TYR  16           HB1      TYR  16   4.091  -6.909   1.267
  115    HD1  TYR  16           HD2      TYR  16   7.314  -5.727  -0.272
  116    HD2  TYR  16           HD1      TYR  16   5.336  -8.677   2.133
  117    HE1  TYR  16           HE2      TYR  16   9.476  -6.889   0.079
  118    HE2  TYR  16           HE1      TYR  16   7.497  -9.844   2.487
  119    HH   TYR  16           HH       TYR  16   9.716 -10.009   1.253
  120    H    LEU  17           HN       LEU  17   2.817  -8.382  -0.368
  121    HA   LEU  17           HA       LEU  17   4.484 -10.555  -1.321
  122    HB2  LEU  17           HB2      LEU  17   1.460 -10.507  -1.062
  123    HB3  LEU  17           HB1      LEU  17   2.466 -11.929  -1.217
  124    HG   LEU  17           HG       LEU  17   3.627 -11.238   0.926
  125   HD11  LEU  17          HD11      LEU  17   3.158  -9.026   1.376
  126   HD12  LEU  17          HD12      LEU  17   1.880  -9.763   2.328
  127   HD13  LEU  17          HD13      LEU  17   1.526  -9.110   0.733
  128   HD21  LEU  17          HD21      LEU  17   0.715 -12.032   0.770
  129   HD22  LEU  17          HD22      LEU  17   1.528 -11.908   2.328
  130   HD23  LEU  17          HD23      LEU  17   2.116 -13.044   1.115
  131    H    VAL  18           HN       VAL  18   1.647  -8.885  -2.654
  132    HA   VAL  18           HA       VAL  18   1.408 -10.200  -5.104
  133    HB   VAL  18           HB       VAL  18   1.103  -7.232  -4.621
  134   HG11  VAL  18          HG11      VAL  18  -0.020  -9.093  -6.700
  135   HG12  VAL  18          HG12      VAL  18   1.070  -7.736  -6.947
  136   HG13  VAL  18          HG13      VAL  18  -0.585  -7.446  -6.437
  137   HG21  VAL  18          HG21      VAL  18  -0.192  -8.634  -3.029
  138   HG22  VAL  18          HG22      VAL  18  -0.934  -9.451  -4.401
  139   HG23  VAL  18          HG23      VAL  18  -1.230  -7.736  -4.132
  140    H    CYS  19           HN       CYS  19   3.222  -7.169  -4.596
  141    HA   CYS  19           HA       CYS  19   4.525  -7.395  -7.183
  142    HB2  CYS  19           HB2      CYS  19   5.427  -5.629  -4.912
  143    HB3  CYS  19           HB1      CYS  19   5.541  -5.335  -6.641
  144    H    GLY  20           HN       GLY  20   5.231  -8.435  -3.950
  145    HA2  GLY  20           HA2      GLY  20   7.094  -9.539  -3.040
  146    HA3  GLY  20           HA1      GLY  20   7.236 -10.250  -4.645
  147    H    GLU  21           HN       GLU  21   9.284 -10.016  -5.357
  148    HA   GLU  21           HA       GLU  21  11.029  -7.897  -4.388
  149    HB2  GLU  21           HB2      GLU  21  11.362 -10.016  -6.525
  150    HB3  GLU  21           HB1      GLU  21  12.638  -8.892  -6.056
  151    HG2  GLU  21           HG2      GLU  21  12.414  -9.695  -3.700
  152    HG3  GLU  21           HG1      GLU  21  11.245 -10.893  -4.257
  153    H    ARG  22           HN       ARG  22   8.782  -8.148  -6.957
  154    HA   ARG  22           HA       ARG  22  10.007  -6.597  -8.976
  155    HB2  ARG  22           HB2      ARG  22   7.089  -6.516  -8.155
  156    HB3  ARG  22           HB1      ARG  22   7.744  -6.048  -9.721
  157    HG2  ARG  22           HG2      ARG  22   8.328  -8.284 -10.276
  158    HG3  ARG  22           HG1      ARG  22   8.180  -8.826  -8.614
  159    HD2  ARG  22           HD2      ARG  22   5.979  -9.308  -8.898
  160    HD3  ARG  22           HD1      ARG  22   5.635  -7.696  -9.504
  161    HE   ARG  22           HE       ARG  22   5.741 -10.084 -11.055
  162   HH11  ARG  22          HH21      ARG  22   7.036  -6.886 -11.114
  163   HH12  ARG  22          HH22      ARG  22   7.284  -6.883 -12.827
  164   HH21  ARG  22          HH11      ARG  22   6.051 -10.089 -13.277
  165   HH22  ARG  22          HH12      ARG  22   6.725  -8.694 -14.050
  166    H    GLY  23           HN       GLY  23   8.659  -5.653  -5.885
  167    HA2  GLY  23           HA2      GLY  23   8.908  -3.598  -4.757
  168    HA3  GLY  23           HA1      GLY  23   9.852  -3.004  -6.127
  169    H    PHE  24           HN       PHE  24   7.689  -1.553  -4.768
  170    HA   PHE  24           HA       PHE  24   6.114  -0.920  -7.160
  171    HB2  PHE  24           HB2      PHE  24   3.959  -1.343  -6.172
  172    HB3  PHE  24           HB1      PHE  24   4.916  -2.814  -6.033
  173    HD1  PHE  24           HD1      PHE  24   5.783  -3.570  -3.880
  174    HD2  PHE  24           HD2      PHE  24   3.452   0.026  -4.189
  175    HE1  PHE  24           HE1      PHE  24   5.471  -3.558  -1.422
  176    HE2  PHE  24           HE2      PHE  24   3.136   0.026  -1.728
  177    HZ   PHE  24           HZ       PHE  24   4.145  -1.759  -0.351
  178    H    PHE  25           HN       PHE  25   4.523   0.865  -6.593
  179    HA   PHE  25           HA       PHE  25   5.750   2.753  -4.613
  180    HB2  PHE  25           HB2      PHE  25   4.917   4.553  -6.136
  181    HB3  PHE  25           HB1      PHE  25   6.106   3.509  -6.916
  182    HD1  PHE  25           HD1      PHE  25   2.452   4.184  -6.588
  183    HD2  PHE  25           HD2      PHE  25   5.531   2.158  -8.798
  184    HE1  PHE  25           HE1      PHE  25   0.798   3.596  -8.350
  185    HE2  PHE  25           HE2      PHE  25   3.884   1.575 -10.557
  186    HZ   PHE  25           HZ       PHE  25   1.521   2.293 -10.333
  187    H    TYR  26           HN       TYR  26   4.326   3.725  -3.171
  188    HA   TYR  26           HA       TYR  26   1.623   2.615  -3.047
  189    HB2  TYR  26           HB2      TYR  26   3.172   3.354  -1.047
  190    HB3  TYR  26           HB1      TYR  26   2.534   4.965  -1.376
  191    HD1  TYR  26           HD1      TYR  26   1.336   1.423  -0.992
  192    HD2  TYR  26           HD2      TYR  26   0.525   5.593  -0.314
  193    HE1  TYR  26           HE1      TYR  26  -0.759   0.840   0.202
  194    HE2  TYR  26           HE2      TYR  26  -1.557   4.996   0.885
  195    HH   TYR  26           HH       TYR  26  -2.222   1.950   2.006
  196    H    THR  27           HN       THR  27  -0.245   4.311  -2.776
  197    HA   THR  27           HA       THR  27  -0.403   5.757  -5.236
  198    HB   THR  27           HB       THR  27  -2.403   4.946  -4.095
  199    HG1  THR  27           HG1      THR  27  -2.065   7.247  -5.190
  200   HG21  THR  27          HG21      THR  27  -1.706   7.011  -1.985
  201   HG22  THR  27          HG22      THR  27  -1.666   5.263  -1.782
  202   HG23  THR  27          HG23      THR  27  -3.200   6.078  -2.043
  203    H    ASP  28           HN       ASP  28  -1.079   8.215  -5.135
  204    HA   ASP  28           HA       ASP  28   1.116   9.763  -4.763
  205    HB2  ASP  28           HB2      ASP  28  -1.640  10.241  -5.231
  206    HB3  ASP  28           HB1      ASP  28  -1.175  11.372  -3.966
  207    HA   PRO  29           HA       PRO  29   1.745  10.083  -0.332
  208    HB2  PRO  29           HB2      PRO  29   3.272  12.393  -0.254
  209    HB3  PRO  29           HB1      PRO  29   3.906  10.817  -0.751
  210    HG2  PRO  29           HG2      PRO  29   3.186  13.173  -2.440
  211    HG3  PRO  29           HG1      PRO  29   4.390  11.911  -2.735
  212    HD2  PRO  29           HD2      PRO  29   1.848  12.039  -3.943
  213    HD3  PRO  29           HD1      PRO  29   2.901  10.608  -3.876
  214    H    THR  30           HN       THR  30  -0.044  12.345  -2.134
  215    HA   THR  30           HA       THR  30  -0.406  14.520  -0.406
  216    HB   THR  30           HB       THR  30  -2.497  14.921  -1.555
  217    HG1  THR  30           HG1      THR  30  -2.260  12.254  -2.486
  218   HG21  THR  30          HG21      THR  30  -0.408  15.216  -2.843
  219   HG22  THR  30          HG22      THR  30  -1.734  14.704  -3.887
  220   HG23  THR  30          HG23      THR  30  -0.509  13.541  -3.383
  221    H    GLY  31           HN       GLY  31  -2.090  11.381  -0.297
  222    HA2  GLY  31           HA2      GLY  31  -3.240  10.394   1.507
  223    HA3  GLY  31           HA1      GLY  31  -2.500  11.610   2.541
  224    H    GLY  32           HN       GLY  32  -3.796  13.651   0.521
  225    HA2  GLY  32           HA2      GLY  32  -6.348  13.836   2.039
  226    HA3  GLY  32           HA1      GLY  32  -5.621  15.132   1.087
  227    H    GLY  33           HN       GLY  33  -5.116  12.978  -1.034
  228    HA2  GLY  33           HA2      GLY  33  -7.646  12.041  -1.990
  229    HA3  GLY  33           HA1      GLY  33  -7.241  13.565  -2.787
  230    HA   PRO  34           HA       PRO  34  -3.505  10.805  -3.925
  231    HB2  PRO  34           HB2      PRO  34  -3.502   8.230  -2.859
  232    HB3  PRO  34           HB1      PRO  34  -2.637   9.598  -2.160
  233    HG2  PRO  34           HG2      PRO  34  -5.183   8.320  -1.285
  234    HG3  PRO  34           HG1      PRO  34  -3.969   9.173  -0.317
  235    HD2  PRO  34           HD2      PRO  34  -6.424  10.266  -1.083
  236    HD3  PRO  34           HD1      PRO  34  -4.992  11.207  -0.615
  237    H    ARG  35           HN       ARG  35  -3.277   8.461  -5.089
  238    HA   ARG  35           HA       ARG  35  -5.267   8.324  -7.104
  239    HB2  ARG  35           HB2      ARG  35  -2.840   7.320  -6.998
  240    HB3  ARG  35           HB1      ARG  35  -3.635   5.907  -6.310
  241    HG2  ARG  35           HG2      ARG  35  -5.143   5.822  -8.286
  242    HG3  ARG  35           HG1      ARG  35  -4.261   7.180  -8.989
  243    HD2  ARG  35           HD2      ARG  35  -2.151   5.790  -8.768
  244    HD3  ARG  35           HD1      ARG  35  -3.181   4.419  -8.352
  245    HE   ARG  35           HE       ARG  35  -4.251   5.372 -10.730
  246   HH11  ARG  35          HH21      ARG  35  -1.157   4.377  -9.583
  247   HH12  ARG  35          HH22      ARG  35  -0.620   3.806 -11.127
  248   HH21  ARG  35          HH11      ARG  35  -3.568   4.634 -12.754
  249   HH22  ARG  35          HH12      ARG  35  -1.986   3.951 -12.923
  250    H    ARG  36           HN       ARG  36  -7.328   8.246  -5.990
  251    HA   ARG  36           HA       ARG  36  -8.025   6.302  -4.030
  252    HB2  ARG  36           HB2      ARG  36  -9.999   7.265  -6.106
  253    HB3  ARG  36           HB1      ARG  36 -10.261   6.956  -4.388
  254    HG2  ARG  36           HG2      ARG  36  -8.627   8.869  -3.942
  255    HG3  ARG  36           HG1      ARG  36  -8.774   9.259  -5.655
  256    HD2  ARG  36           HD2      ARG  36 -11.432   9.008  -4.882
  257    HD3  ARG  36           HD1      ARG  36 -10.698   9.735  -3.456
  258    HE   ARG  36           HE       ARG  36 -11.368  11.145  -5.785
  259   HH11  ARG  36          HH21      ARG  36  -8.527  10.578  -3.902
  260   HH12  ARG  36          HH22      ARG  36  -7.732  12.014  -4.443
  261   HH21  ARG  36          HH11      ARG  36 -10.345  13.017  -6.480
  262   HH22  ARG  36          HH12      ARG  36  -8.760  13.396  -5.894
  263    H    GLY  37           HN       GLY  37  -7.064   5.879  -7.182
  264    HA2  GLY  37           HA2      GLY  37  -8.784   3.746  -8.041
  265    HA3  GLY  37           HA1      GLY  37  -7.181   4.086  -8.686
  266    H    ILE  38           HN       ILE  38  -6.001   3.831  -5.881
  267    HA   ILE  38           HA       ILE  38  -5.920   0.851  -5.900
  268    HB   ILE  38           HB       ILE  38  -3.849   2.626  -5.998
  269   HG12  ILE  38          HG12      ILE  38  -3.359   0.405  -6.529
  270   HG13  ILE  38          HG11      ILE  38  -2.407   0.658  -5.085
  271   HG21  ILE  38          HG21      ILE  38  -2.645   2.602  -3.858
  272   HG22  ILE  38          HG22      ILE  38  -4.019   1.834  -3.076
  273   HG23  ILE  38          HG23      ILE  38  -4.171   3.463  -3.726
  274   HD11  ILE  38          HD11      ILE  38  -4.786  -1.085  -5.514
  275   HD12  ILE  38          HD12      ILE  38  -4.686  -0.274  -3.953
  276   HD13  ILE  38          HD13      ILE  38  -3.384  -1.323  -4.480
  277    H    VAL  39           HN       VAL  39  -5.918   3.489  -3.454
  278    HA   VAL  39           HA       VAL  39  -6.411   1.745  -1.268
  279    HB   VAL  39           HB       VAL  39  -7.361   4.608  -1.351
  280   HG11  VAL  39          HG11      VAL  39  -6.727   4.537   1.016
  281   HG12  VAL  39          HG12      VAL  39  -6.113   2.895   0.820
  282   HG13  VAL  39          HG13      VAL  39  -7.839   3.217   0.653
  283   HG21  VAL  39          HG21      VAL  39  -4.909   5.009  -0.484
  284   HG22  VAL  39          HG22      VAL  39  -5.195   4.885  -2.217
  285   HG23  VAL  39          HG23      VAL  39  -4.548   3.503  -1.332
  286    H    GLU  40           HN       GLU  40  -8.846   3.999  -2.675
  287    HA   GLU  40           HA       GLU  40 -11.040   2.851  -1.321
  288    HB2  GLU  40           HB2      GLU  40 -10.968   4.180  -4.040
  289    HB3  GLU  40           HB1      GLU  40 -12.443   3.826  -3.142
  290    HG2  GLU  40           HG2      GLU  40 -11.385   5.156  -1.208
  291    HG3  GLU  40           HG1      GLU  40 -10.219   5.733  -2.398
  292    H    GLN  41           HN       GLN  41  -9.760   2.024  -4.552
  293    HA   GLN  41           HA       GLN  41 -11.648   0.153  -5.365
  294    HB2  GLN  41           HB2      GLN  41  -9.579   0.835  -6.626
  295    HB3  GLN  41           HB1      GLN  41  -8.654  -0.277  -5.617
  296    HG2  GLN  41           HG2      GLN  41 -10.174  -2.124  -6.356
  297    HG3  GLN  41           HG1      GLN  41 -10.960  -0.992  -7.454
  298   HE21  GLN  41          HE21      GLN  41 -10.256  -1.713  -9.465
  299   HE22  GLN  41          HE22      GLN  41  -8.629  -1.864  -9.898
  300    H    CYS  42           HN       CYS  42  -8.723  -0.669  -3.463
  301    HA   CYS  42           HA       CYS  42  -9.868  -3.292  -2.814
  302    HB2  CYS  42           HB2      CYS  42  -7.307  -1.977  -1.877
  303    HB3  CYS  42           HB1      CYS  42  -7.744  -3.672  -1.668
  304    H    CYS  43           HN       CYS  43  -9.556  -0.175  -1.229
  305    HA   CYS  43           HA       CYS  43 -10.179  -1.287   1.421
  306    HB2  CYS  43           HB2      CYS  43  -8.746   0.759   1.153
  307    HB3  CYS  43           HB1      CYS  43 -10.161   1.617   0.536
  308    H    HIS  44           HN       HIS  44 -11.839   0.852  -0.913
  309    HA   HIS  44           HA       HIS  44 -14.338   0.750   0.552
  310    HB2  HIS  44           HB2      HIS  44 -13.571   2.573  -1.090
  311    HB3  HIS  44           HB1      HIS  44 -14.026   1.453  -2.374
  312    HD2  HIS  44           HD2      HIS  44 -16.857   0.903  -2.523
  313    HE1  HIS  44           HE1      HIS  44 -17.971   4.003   0.121
  314    HE2  HIS  44           HE2      HIS  44 -18.827   2.299  -1.559
  315    H    SER  45           HN       SER  45 -12.830  -1.205  -1.927
  316    HA   SER  45           HA       SER  45 -15.212  -3.023  -1.860
  317    HB2  SER  45           HB2      SER  45 -13.696  -2.540  -4.422
  318    HB3  SER  45           HB1      SER  45 -15.291  -3.249  -4.200
  319    HG   SER  45           HG       SER  45 -15.160  -0.759  -3.153
  320    H    ILE  46           HN       ILE  46 -14.676  -5.248  -2.408
  321    HA   ILE  46           HA       ILE  46 -12.044  -6.028  -1.407
  322    HB   ILE  46           HB       ILE  46 -14.090  -7.872  -2.654
  323   HG12  ILE  46          HG12      ILE  46 -15.345  -6.427  -1.130
  324   HG13  ILE  46          HG11      ILE  46 -15.157  -8.024  -0.412
  325   HG21  ILE  46          HG21      ILE  46 -11.913  -8.814  -1.964
  326   HG22  ILE  46          HG22      ILE  46 -13.235  -9.431  -0.974
  327   HG23  ILE  46          HG23      ILE  46 -12.163  -8.183  -0.335
  328   HD11  ILE  46          HD11      ILE  46 -13.590  -5.521   0.254
  329   HD12  ILE  46          HD12      ILE  46 -13.139  -7.122   0.837
  330   HD13  ILE  46          HD13      ILE  46 -14.679  -6.414   1.310
  331    H    CYS  47           HN       CYS  47 -10.448  -5.513  -2.937
  332    HA   CYS  47           HA       CYS  47 -10.883  -6.291  -5.768
  333    HB2  CYS  47           HB2      CYS  47  -8.980  -4.991  -6.286
  334    HB3  CYS  47           HB1      CYS  47  -9.779  -4.083  -5.007
  335    H    SER  48           HN       SER  48  -9.373  -7.694  -6.864
  336    HA   SER  48           HA       SER  48  -8.378  -9.862  -5.115
  337    HB2  SER  48           HB2      SER  48  -7.793 -10.833  -7.488
  338    HB3  SER  48           HB1      SER  48  -9.475 -10.759  -6.980
  339    HG   SER  48           HG       SER  48  -8.100  -9.279  -8.886
  340    H    LEU  49           HN       LEU  49  -6.157 -10.741  -5.646
  341    HA   LEU  49           HA       LEU  49  -4.150  -8.768  -5.266
  342    HB2  LEU  49           HB2      LEU  49  -3.752 -11.503  -6.510
  343    HB3  LEU  49           HB1      LEU  49  -2.554 -10.555  -5.637
  344    HG   LEU  49           HG       LEU  49  -5.007 -11.932  -4.523
  345   HD11  LEU  49          HD11      LEU  49  -2.091 -12.002  -3.691
  346   HD12  LEU  49          HD12      LEU  49  -2.844 -13.194  -4.751
  347   HD13  LEU  49          HD13      LEU  49  -3.387 -13.031  -3.080
  348   HD21  LEU  49          HD21      LEU  49  -4.174 -10.903  -2.315
  349   HD22  LEU  49          HD22      LEU  49  -5.065  -9.832  -3.394
  350   HD23  LEU  49          HD23      LEU  49  -3.306  -9.749  -3.323
  351    H    TYR  50           HN       TYR  50  -5.518 -10.235  -8.107
  352    HA   TYR  50           HA       TYR  50  -3.794  -9.665 -10.153
  353    HB2  TYR  50           HB2      TYR  50  -6.250 -10.593 -10.068
  354    HB3  TYR  50           HB1      TYR  50  -6.707  -8.921 -10.392
  355    HD1  TYR  50           HD2      TYR  50  -4.789 -11.796 -11.575
  356    HD2  TYR  50           HD1      TYR  50  -6.342  -7.935 -12.524
  357    HE1  TYR  50           HE2      TYR  50  -4.238 -12.182 -13.977
  358    HE2  TYR  50           HE1      TYR  50  -5.802  -8.289 -14.929
  359    HH   TYR  50           HH       TYR  50  -5.150  -9.806 -16.462
  360    H    GLN  51           HN       GLN  51  -6.284  -7.433  -8.967
  361    HA   GLN  51           HA       GLN  51  -5.377  -5.193 -10.501
  362    HB2  GLN  51           HB2      GLN  51  -6.726  -4.954  -7.802
  363    HB3  GLN  51           HB1      GLN  51  -6.836  -3.873  -9.188
  364    HG2  GLN  51           HG2      GLN  51  -7.812  -5.931 -10.457
  365    HG3  GLN  51           HG1      GLN  51  -8.085  -6.594  -8.847
  366   HE21  GLN  51          HE21      GLN  51 -10.082  -5.611 -10.900
  367   HE22  GLN  51          HE22      GLN  51 -11.001  -4.433 -10.095
  368    H    LEU  52           HN       LEU  52  -4.604  -6.267  -7.203
  369    HA   LEU  52           HA       LEU  52  -2.924  -4.056  -6.563
  370    HB2  LEU  52           HB2      LEU  52  -2.784  -6.933  -5.660
  371    HB3  LEU  52           HB1      LEU  52  -1.875  -5.618  -4.926
  372    HG   LEU  52           HG       LEU  52  -4.898  -5.834  -5.066
  373   HD11  LEU  52          HD11      LEU  52  -3.010  -5.883  -2.703
  374   HD12  LEU  52          HD12      LEU  52  -3.704  -7.319  -3.462
  375   HD13  LEU  52          HD13      LEU  52  -4.755  -6.138  -2.678
  376   HD21  LEU  52          HD21      LEU  52  -4.491  -3.832  -3.315
  377   HD22  LEU  52          HD22      LEU  52  -4.626  -3.526  -5.044
  378   HD23  LEU  52          HD23      LEU  52  -3.039  -3.618  -4.294
  379    H    GLU  53           HN       GLU  53  -2.571  -6.809  -8.566
  380    HA   GLU  53           HA       GLU  53   0.323  -6.659  -8.790
  381    HB2  GLU  53           HB2      GLU  53  -1.631  -8.564  -9.374
  382    HB3  GLU  53           HB1      GLU  53  -1.144  -8.021 -10.976
  383    HG2  GLU  53           HG2      GLU  53   0.835  -8.907  -8.855
  384    HG3  GLU  53           HG1      GLU  53   0.155  -9.995 -10.052
  385    H    ASN  54           HN       ASN  54  -2.225  -4.838  -9.894
  386    HA   ASN  54           HA       ASN  54  -1.163  -4.127 -12.514
  387    HB2  ASN  54           HB2      ASN  54  -3.639  -4.038 -11.575
  388    HB3  ASN  54           HB1      ASN  54  -3.164  -2.438 -11.007
  389   HD21  ASN  54          HD21      ASN  54  -5.135  -2.985 -13.113
  390   HD22  ASN  54          HD22      ASN  54  -4.540  -2.286 -14.539
  391    H    TYR  55           HN       TYR  55  -0.837  -2.963  -9.228
  392    HA   TYR  55           HA       TYR  55   0.527  -0.483 -10.167
  393    HB2  TYR  55           HB2      TYR  55  -0.041  -1.298  -7.313
  394    HB3  TYR  55           HB1      TYR  55   0.282   0.316  -7.936
  395    HD1  TYR  55           HD2      TYR  55  -2.157  -2.401  -7.755
  396    HD2  TYR  55           HD1      TYR  55  -1.420   1.586  -9.091
  397    HE1  TYR  55           HE2      TYR  55  -4.600  -2.108  -8.169
  398    HE2  TYR  55           HE1      TYR  55  -3.846   1.898  -9.523
  399    HH   TYR  55           HH       TYR  55  -6.015   0.875  -8.643
  400    H    CYS  56           HN       CYS  56   1.454  -3.597  -9.709
  401    HA   CYS  56           HA       CYS  56   3.845  -3.107  -8.081
  402    HB2  CYS  56           HB2      CYS  56   3.050  -5.481  -9.788
  403    HB3  CYS  56           HB1      CYS  56   4.429  -5.434  -8.697
  404    H    ASN  57           HN       ASN  57   5.451  -1.903  -8.967
  405    HA   ASN  57           HA       ASN  57   6.916  -1.016 -10.580
  406    HB2  ASN  57           HB2      ASN  57   7.845  -3.292 -10.279
  407    HB3  ASN  57           HB1      ASN  57   6.779  -3.887 -11.552
  408   HD21  ASN  57          HD21      ASN  57   9.914  -2.893 -11.061
  409   HD22  ASN  57          HD22      ASN  57  10.282  -2.339 -12.623
  Start of MODEL   17
    1    H1   PHE   1           HT1      PHE   1  -5.588 -12.270   3.121
    2    H2   PHE   1           HT2      PHE   1  -5.050 -13.592   2.199
    3    H3   PHE   1           HT3      PHE   1  -6.693 -13.160   2.192
    4    HA   PHE   1           HA       PHE   1  -5.730 -10.883   1.363
    5    HB2  PHE   1           HB2      PHE   1  -3.409 -11.943   1.587
    6    HB3  PHE   1           HB1      PHE   1  -3.808 -12.907   0.175
    7    HD1  PHE   1           HD2      PHE   1  -5.483 -10.000  -0.625
    8    HD2  PHE   1           HD1      PHE   1  -1.481 -11.394   0.010
    9    HE1  PHE   1           HE2      PHE   1  -4.631  -8.212  -2.034
   10    HE2  PHE   1           HE1      PHE   1  -0.628  -9.579  -1.408
   11    HZ   PHE   1           HZ       PHE   1  -2.193  -7.979  -2.434
   12    H    VAL   2           HN       VAL   2  -7.765 -12.999   1.118
   13    HA   VAL   2           HA       VAL   2  -7.823 -13.562  -1.807
   14    HB   VAL   2           HB       VAL   2  -9.973 -14.859  -0.949
   15   HG11  VAL   2          HG11      VAL   2  -7.933 -15.933  -1.818
   16   HG12  VAL   2          HG12      VAL   2  -8.565 -16.805  -0.420
   17   HG13  VAL   2          HG13      VAL   2  -7.165 -15.747  -0.241
   18   HG21  VAL   2          HG21      VAL   2 -10.039 -15.373   1.348
   19   HG22  VAL   2          HG22      VAL   2  -9.602 -13.666   1.365
   20   HG23  VAL   2          HG23      VAL   2  -8.362 -14.892   1.606
   21    H    ASN   3           HN       ASN   3 -10.702 -13.237   0.104
   22    HA   ASN   3           HA       ASN   3 -11.623 -11.003  -1.636
   23    HB2  ASN   3           HB2      ASN   3 -13.900 -11.781  -0.555
   24    HB3  ASN   3           HB1      ASN   3 -13.182 -12.741  -1.836
   25   HD21  ASN   3          HD21      ASN   3 -14.566 -13.061   1.118
   26   HD22  ASN   3          HD22      ASN   3 -13.812 -14.495   1.604
   27    H    GLN   4           HN       GLN   4  -9.906 -10.719   0.779
   28    HA   GLN   4           HA       GLN   4 -11.743  -9.389   2.698
   29    HB2  GLN   4           HB2      GLN   4  -9.313  -9.001   3.795
   30    HB3  GLN   4           HB1      GLN   4 -10.200 -10.506   3.993
   31    HG2  GLN   4           HG2      GLN   4  -8.983 -11.501   2.100
   32    HG3  GLN   4           HG1      GLN   4  -8.113  -9.986   1.854
   33   HE21  GLN   4          HE21      GLN   4  -8.036 -12.976   3.500
   34   HE22  GLN   4          HE22      GLN   4  -6.787 -12.615   4.589
   35    H    HIS   5           HN       HIS   5 -11.316  -7.184   3.346
   36    HA   HIS   5           HA       HIS   5 -10.602  -5.492   1.044
   37    HB2  HIS   5           HB2      HIS   5 -11.451  -3.663   2.548
   38    HB3  HIS   5           HB1      HIS   5 -12.631  -4.930   2.223
   39    HD2  HIS   5           HD2      HIS   5 -13.183  -6.644   4.462
   40    HE1  HIS   5           HE1      HIS   5 -11.055  -4.316   7.273
   41    HE2  HIS   5           HE2      HIS   5 -12.674  -6.254   6.982
   42    H    LEU   6           HN       LEU   6  -8.745  -4.361   0.873
   43    HA   LEU   6           HA       LEU   6  -6.768  -4.483   3.098
   44    HB2  LEU   6           HB2      LEU   6  -6.643  -4.085   0.130
   45    HB3  LEU   6           HB1      LEU   6  -5.397  -3.333   1.093
   46    HG   LEU   6           HG       LEU   6  -4.477  -5.361   1.774
   47   HD11  LEU   6          HD11      LEU   6  -5.864  -7.568   1.337
   48   HD12  LEU   6          HD12      LEU   6  -7.233  -6.469   1.444
   49   HD13  LEU   6          HD13      LEU   6  -6.118  -6.623   2.799
   50   HD21  LEU   6          HD21      LEU   6  -4.481  -6.857  -0.221
   51   HD22  LEU   6          HD22      LEU   6  -4.151  -5.184  -0.620
   52   HD23  LEU   6          HD23      LEU   6  -5.743  -5.881  -0.929
   53    H    CYS   7           HN       CYS   7  -6.277  -2.660   4.251
   54    HA   CYS   7           HA       CYS   7  -6.847  -0.001   3.098
   55    HB2  CYS   7           HB2      CYS   7  -8.834  -1.121   4.556
   56    HB3  CYS   7           HB1      CYS   7  -7.913  -0.385   5.864
   57    H    GLY   8           HN       GLY   8  -5.157   1.277   3.579
   58    HA2  GLY   8           HA2      GLY   8  -3.357   2.209   4.785
   59    HA3  GLY   8           HA1      GLY   8  -3.938   1.344   6.208
   60    H    SER   9           HN       SER   9  -1.897   0.572   6.843
   61    HA   SER   9           HA       SER   9   0.147  -0.525   5.312
   62    HB2  SER   9           HB2      SER   9  -0.871  -1.446   8.014
   63    HB3  SER   9           HB1      SER   9   0.661  -1.958   7.310
   64    HG   SER   9           HG       SER   9   1.092  -0.191   8.567
   65    H    ASP  10           HN       ASP  10  -2.933  -2.047   6.168
   66    HA   ASP  10           HA       ASP  10  -2.402  -4.730   5.578
   67    HB2  ASP  10           HB2      ASP  10  -4.801  -2.964   5.183
   68    HB3  ASP  10           HB1      ASP  10  -4.849  -4.602   4.544
   69    H    LEU  11           HN       LEU  11  -3.314  -2.164   3.267
   70    HA   LEU  11           HA       LEU  11  -3.142  -3.720   0.923
   71    HB2  LEU  11           HB2      LEU  11  -4.072  -1.470   0.829
   72    HB3  LEU  11           HB1      LEU  11  -2.547  -0.777   1.367
   73    HG   LEU  11           HG       LEU  11  -1.453  -1.384  -0.694
   74   HD11  LEU  11          HD11      LEU  11  -2.823  -2.505  -2.496
   75   HD12  LEU  11          HD12      LEU  11  -3.987  -2.921  -1.246
   76   HD13  LEU  11          HD13      LEU  11  -2.338  -3.541  -1.166
   77   HD21  LEU  11          HD21      LEU  11  -4.226  -0.340  -1.336
   78   HD22  LEU  11          HD22      LEU  11  -2.793  -0.164  -2.347
   79   HD23  LEU  11          HD23      LEU  11  -2.874   0.649  -0.784
   80    H    VAL  12           HN       VAL  12  -0.619  -1.602   2.318
   81    HA   VAL  12           HA       VAL  12   1.483  -2.128   0.588
   82    HB   VAL  12           HB       VAL  12   1.808  -2.083   3.598
   83   HG11  VAL  12          HG11      VAL  12   3.983  -1.280   3.174
   84   HG12  VAL  12          HG12      VAL  12   3.598  -0.835   1.514
   85   HG13  VAL  12          HG13      VAL  12   3.774  -2.533   1.953
   86   HG21  VAL  12          HG21      VAL  12   1.396   0.203   1.646
   87   HG22  VAL  12          HG22      VAL  12   1.936   0.405   3.312
   88   HG23  VAL  12          HG23      VAL  12   0.332  -0.245   2.978
   89    H    GLU  13           HN       GLU  13   1.117  -3.942   3.661
   90    HA   GLU  13           HA       GLU  13   2.939  -5.984   3.123
   91    HB2  GLU  13           HB2      GLU  13   0.251  -6.322   4.488
   92    HB3  GLU  13           HB1      GLU  13   1.648  -7.386   4.664
   93    HG2  GLU  13           HG2      GLU  13   2.957  -5.415   5.517
   94    HG3  GLU  13           HG1      GLU  13   1.462  -4.478   5.498
   95    H    ALA  14           HN       ALA  14  -0.225  -5.485   1.736
   96    HA   ALA  14           HA       ALA  14  -0.346  -8.179   0.587
   97    HB1  ALA  14           HB1      ALA  14  -2.185  -6.440  -0.744
   98    HB2  ALA  14           HB2      ALA  14  -2.165  -5.971   0.950
   99    HB3  ALA  14           HB3      ALA  14  -2.532  -7.635   0.510
  100    H    LEU  15           HN       LEU  15   0.058  -4.863  -0.816
  101    HA   LEU  15           HA       LEU  15   0.588  -5.714  -3.439
  102    HB2  LEU  15           HB2      LEU  15   1.730  -3.400  -1.872
  103    HB3  LEU  15           HB1      LEU  15   2.172  -3.685  -3.552
  104    HG   LEU  15           HG       LEU  15  -0.750  -3.564  -2.809
  105   HD11  LEU  15          HD11      LEU  15  -0.814  -1.186  -3.036
  106   HD12  LEU  15          HD12      LEU  15   0.860  -1.115  -3.581
  107   HD13  LEU  15          HD13      LEU  15   0.497  -1.497  -1.901
  108   HD21  LEU  15          HD21      LEU  15   0.764  -2.663  -5.275
  109   HD22  LEU  15          HD22      LEU  15  -0.982  -2.824  -5.108
  110   HD23  LEU  15          HD23      LEU  15   0.039  -4.258  -5.101
  111    H    TYR  16           HN       TYR  16   2.678  -5.705  -0.598
  112    HA   TYR  16           HA       TYR  16   5.177  -6.164  -1.750
  113    HB2  TYR  16           HB2      TYR  16   4.884  -5.899   0.648
  114    HB3  TYR  16           HB1      TYR  16   4.019  -7.429   0.739
  115    HD1  TYR  16           HD2      TYR  16   7.246  -6.107  -0.672
  116    HD2  TYR  16           HD1      TYR  16   5.262  -9.274   1.432
  117    HE1  TYR  16           HE2      TYR  16   9.407  -7.298  -0.431
  118    HE2  TYR  16           HE1      TYR  16   7.421 -10.471   1.676
  119    HH   TYR  16           HH       TYR  16   9.942 -10.075  -0.055
  120    H    LEU  17           HN       LEU  17   2.729  -8.710  -1.002
  121    HA   LEU  17           HA       LEU  17   4.349 -10.805  -2.171
  122    HB2  LEU  17           HB2      LEU  17   1.331 -10.718  -1.876
  123    HB3  LEU  17           HB1      LEU  17   2.295 -12.141  -2.201
  124    HG   LEU  17           HG       LEU  17   3.511 -11.701  -0.016
  125   HD11  LEU  17          HD11      LEU  17   1.424  -9.547   0.072
  126   HD12  LEU  17          HD12      LEU  17   3.078  -9.534   0.660
  127   HD13  LEU  17          HD13      LEU  17   1.833 -10.365   1.577
  128   HD21  LEU  17          HD21      LEU  17   1.967 -13.493  -0.013
  129   HD22  LEU  17          HD22      LEU  17   0.581 -12.421  -0.196
  130   HD23  LEU  17          HD23      LEU  17   1.437 -12.497   1.342
  131    H    VAL  18           HN       VAL  18   1.535  -8.974  -3.340
  132    HA   VAL  18           HA       VAL  18   1.291 -10.044  -5.911
  133    HB   VAL  18           HB       VAL  18   1.035  -7.119  -5.172
  134   HG11  VAL  18          HG11      VAL  18  -0.496  -6.964  -6.989
  135   HG12  VAL  18          HG12      VAL  18  -0.466  -8.703  -7.246
  136   HG13  VAL  18          HG13      VAL  18   0.957  -7.731  -7.611
  137   HG21  VAL  18          HG21      VAL  18  -1.299  -7.628  -4.650
  138   HG22  VAL  18          HG22      VAL  18  -0.238  -8.611  -3.642
  139   HG23  VAL  18          HG23      VAL  18  -1.034  -9.326  -5.044
  140    H    CYS  19           HN       CYS  19   3.152  -7.119  -5.084
  141    HA   CYS  19           HA       CYS  19   4.493  -7.103  -7.658
  142    HB2  CYS  19           HB2      CYS  19   5.394  -5.588  -5.215
  143    HB3  CYS  19           HB1      CYS  19   5.507  -5.117  -6.905
  144    H    GLY  20           HN       GLY  20   5.118  -8.491  -4.550
  145    HA2  GLY  20           HA2      GLY  20   6.939  -9.738  -3.737
  146    HA3  GLY  20           HA1      GLY  20   7.136 -10.231  -5.415
  147    H    GLU  21           HN       GLU  21   9.223  -9.932  -5.993
  148    HA   GLU  21           HA       GLU  21  10.901  -7.925  -4.706
  149    HB2  GLU  21           HB2      GLU  21  11.374  -9.801  -7.036
  150    HB3  GLU  21           HB1      GLU  21  12.608  -8.728  -6.376
  151    HG2  GLU  21           HG2      GLU  21  12.186  -9.792  -4.118
  152    HG3  GLU  21           HG1      GLU  21  11.176 -10.978  -4.946
  153    H    ARG  22           HN       ARG  22   8.794  -7.924  -7.411
  154    HA   ARG  22           HA       ARG  22  10.092  -6.163  -9.190
  155    HB2  ARG  22           HB2      ARG  22   7.145  -6.126  -8.472
  156    HB3  ARG  22           HB1      ARG  22   7.867  -5.498  -9.951
  157    HG2  ARG  22           HG2      ARG  22   8.635  -7.772 -10.540
  158    HG3  ARG  22           HG1      ARG  22   7.889  -8.401  -9.070
  159    HD2  ARG  22           HD2      ARG  22   6.238  -8.786 -10.711
  160    HD3  ARG  22           HD1      ARG  22   5.711  -7.282  -9.961
  161    HE   ARG  22           HE       ARG  22   7.320  -6.447 -12.058
  162   HH11  ARG  22          HH21      ARG  22   4.613  -8.545 -11.660
  163   HH12  ARG  22          HH22      ARG  22   3.976  -8.240 -13.242
  164   HH21  ARG  22          HH11      ARG  22   6.505  -6.038 -14.125
  165   HH22  ARG  22          HH12      ARG  22   5.047  -6.820 -14.637
  166    H    GLY  23           HN       GLY  23   8.585  -5.552  -6.083
  167    HA2  GLY  23           HA2      GLY  23   8.792  -3.639  -4.720
  168    HA3  GLY  23           HA1      GLY  23   9.818  -2.912  -5.962
  169    H    PHE  24           HN       PHE  24   7.617  -1.560  -4.600
  170    HA   PHE  24           HA       PHE  24   6.163  -0.685  -6.993
  171    HB2  PHE  24           HB2      PHE  24   3.956  -1.134  -6.121
  172    HB3  PHE  24           HB1      PHE  24   4.871  -2.639  -6.106
  173    HD1  PHE  24           HD1      PHE  24   5.668  -3.621  -4.014
  174    HD2  PHE  24           HD2      PHE  24   3.406   0.033  -4.023
  175    HE1  PHE  24           HE1      PHE  24   5.285  -3.849  -1.577
  176    HE2  PHE  24           HE2      PHE  24   3.019  -0.210  -1.585
  177    HZ   PHE  24           HZ       PHE  24   3.958  -2.146  -0.368
  178    H    PHE  25           HN       PHE  25   4.581   1.081  -6.328
  179    HA   PHE  25           HA       PHE  25   5.787   2.755  -4.152
  180    HB2  PHE  25           HB2      PHE  25   4.961   4.696  -5.508
  181    HB3  PHE  25           HB1      PHE  25   6.177   3.737  -6.353
  182    HD1  PHE  25           HD1      PHE  25   2.518   4.373  -6.058
  183    HD2  PHE  25           HD2      PHE  25   5.655   2.547  -8.359
  184    HE1  PHE  25           HE1      PHE  25   0.911   3.940  -7.904
  185    HE2  PHE  25           HE2      PHE  25   4.053   2.120 -10.202
  186    HZ   PHE  25           HZ       PHE  25   1.684   2.815  -9.975
  187    H    TYR  26           HN       TYR  26   4.382   3.571  -2.624
  188    HA   TYR  26           HA       TYR  26   1.667   2.503  -2.596
  189    HB2  TYR  26           HB2      TYR  26   3.220   3.036  -0.547
  190    HB3  TYR  26           HB1      TYR  26   2.628   4.686  -0.738
  191    HD1  TYR  26           HD1      TYR  26   1.300   1.167  -0.694
  192    HD2  TYR  26           HD2      TYR  26   0.671   5.270   0.424
  193    HE1  TYR  26           HE1      TYR  26  -0.808   0.547   0.462
  194    HE2  TYR  26           HE2      TYR  26  -1.423   4.638   1.584
  195    HH   TYR  26           HH       TYR  26  -2.738   2.970   2.215
  196    H    THR  27           HN       THR  27  -0.177   4.222  -2.149
  197    HA   THR  27           HA       THR  27  -0.347   5.828  -4.501
  198    HB   THR  27           HB       THR  27  -2.333   5.008  -3.321
  199    HG1  THR  27           HG1      THR  27  -3.484   6.875  -3.574
  200   HG21  THR  27          HG21      THR  27  -3.058   6.086  -1.226
  201   HG22  THR  27          HG22      THR  27  -1.560   7.014  -1.183
  202   HG23  THR  27          HG23      THR  27  -1.518   5.262  -1.015
  203    H    ASP  28           HN       ASP  28  -0.911   8.296  -4.263
  204    HA   ASP  28           HA       ASP  28   1.374   9.706  -3.809
  205    HB2  ASP  28           HB2      ASP  28  -1.332  10.354  -4.330
  206    HB3  ASP  28           HB1      ASP  28  -0.855  11.394  -2.992
  207    HA   PRO  29           HA       PRO  29   1.910   9.807   0.647
  208    HB2  PRO  29           HB2      PRO  29   3.584  12.007   0.847
  209    HB3  PRO  29           HB1      PRO  29   4.126  10.410   0.310
  210    HG2  PRO  29           HG2      PRO  29   3.616  12.865  -1.310
  211    HG3  PRO  29           HG1      PRO  29   4.732  11.529  -1.624
  212    HD2  PRO  29           HD2      PRO  29   2.230  11.889  -2.878
  213    HD3  PRO  29           HD1      PRO  29   3.183  10.387  -2.853
  214    H    THR  30           HN       THR  30   0.322  12.243  -1.116
  215    HA   THR  30           HA       THR  30   0.051  14.373   0.684
  216    HB   THR  30           HB       THR  30  -1.980  14.943  -0.506
  217    HG1  THR  30           HG1      THR  30  -2.492  13.089  -2.132
  218   HG21  THR  30          HG21      THR  30  -0.058  13.505  -2.358
  219   HG22  THR  30          HG22      THR  30   0.198  15.122  -1.704
  220   HG23  THR  30          HG23      THR  30  -1.148  14.818  -2.802
  221    H    GLY  31           HN       GLY  31  -1.822  11.344   0.624
  222    HA2  GLY  31           HA2      GLY  31  -3.082  10.357   2.348
  223    HA3  GLY  31           HA1      GLY  31  -2.296  11.476   3.457
  224    H    GLY  32           HN       GLY  32  -3.409  13.682   1.502
  225    HA2  GLY  32           HA2      GLY  32  -5.999  13.946   2.951
  226    HA3  GLY  32           HA1      GLY  32  -5.157  15.247   2.105
  227    H    GLY  33           HN       GLY  33  -4.727  13.044  -0.047
  228    HA2  GLY  33           HA2      GLY  33  -7.254  12.383  -1.180
  229    HA3  GLY  33           HA1      GLY  33  -6.692  13.896  -1.897
  230    HA   PRO  34           HA       PRO  34  -3.145  10.882  -2.952
  231    HB2  PRO  34           HB2      PRO  34  -3.359   8.286  -1.976
  232    HB3  PRO  34           HB1      PRO  34  -2.473   9.578  -1.162
  233    HG2  PRO  34           HG2      PRO  34  -5.154   8.429  -0.535
  234    HG3  PRO  34           HG1      PRO  34  -3.959   9.144   0.564
  235    HD2  PRO  34           HD2      PRO  34  -6.269  10.449  -0.316
  236    HD3  PRO  34           HD1      PRO  34  -4.815  11.262   0.300
  237    H    ARG  35           HN       ARG  35  -3.053   8.567  -4.196
  238    HA   ARG  35           HA       ARG  35  -5.076   8.648  -6.222
  239    HB2  ARG  35           HB2      ARG  35  -2.652   7.648  -6.257
  240    HB3  ARG  35           HB1      ARG  35  -3.420   6.188  -5.640
  241    HG2  ARG  35           HG2      ARG  35  -5.022   6.298  -7.583
  242    HG3  ARG  35           HG1      ARG  35  -4.051   7.619  -8.236
  243    HD2  ARG  35           HD2      ARG  35  -2.070   6.164  -8.285
  244    HD3  ARG  35           HD1      ARG  35  -3.008   4.841  -7.591
  245    HE   ARG  35           HE       ARG  35  -4.422   5.523  -9.873
  246   HH11  ARG  35          HH21      ARG  35  -1.158   4.727  -9.099
  247   HH12  ARG  35          HH22      ARG  35  -0.831   3.996 -10.634
  248   HH21  ARG  35          HH11      ARG  35  -4.014   4.571 -11.884
  249   HH22  ARG  35          HH12      ARG  35  -2.447   3.908 -12.211
  250    H    ARG  36           HN       ARG  36  -7.109   8.488  -5.049
  251    HA   ARG  36           HA       ARG  36  -7.732   6.418  -3.204
  252    HB2  ARG  36           HB2      ARG  36  -9.991   7.199  -4.963
  253    HB3  ARG  36           HB1      ARG  36  -9.839   7.319  -3.212
  254    HG2  ARG  36           HG2      ARG  36  -9.894   9.555  -3.833
  255    HG3  ARG  36           HG1      ARG  36  -8.164   9.273  -3.758
  256    HD2  ARG  36           HD2      ARG  36  -8.664   8.564  -6.355
  257    HD3  ARG  36           HD1      ARG  36  -9.885   9.812  -6.126
  258    HE   ARG  36           HE       ARG  36  -7.154  10.307  -6.592
  259   HH11  ARG  36          HH21      ARG  36  -9.544  11.152  -4.241
  260   HH12  ARG  36          HH22      ARG  36  -8.686  12.548  -3.692
  261   HH21  ARG  36          HH11      ARG  36  -6.051  12.132  -5.896
  262   HH22  ARG  36          HH12      ARG  36  -6.718  13.107  -4.629
  263    H    GLY  37           HN       GLY  37  -7.084   6.344  -6.501
  264    HA2  GLY  37           HA2      GLY  37  -8.716   4.246  -7.462
  265    HA3  GLY  37           HA1      GLY  37  -7.108   4.612  -8.078
  266    H    ILE  38           HN       ILE  38  -5.915   4.098  -5.316
  267    HA   ILE  38           HA       ILE  38  -5.908   1.129  -5.583
  268    HB   ILE  38           HB       ILE  38  -3.794   2.851  -5.553
  269   HG12  ILE  38          HG12      ILE  38  -3.381   0.665  -6.268
  270   HG13  ILE  38          HG11      ILE  38  -2.398   0.781  -4.826
  271   HG21  ILE  38          HG21      ILE  38  -2.577   2.630  -3.437
  272   HG22  ILE  38          HG22      ILE  38  -3.954   1.820  -2.705
  273   HG23  ILE  38          HG23      ILE  38  -4.084   3.501  -3.212
  274   HD11  ILE  38          HD11      ILE  38  -3.418  -1.215  -4.358
  275   HD12  ILE  38          HD12      ILE  38  -4.831  -0.864  -5.341
  276   HD13  ILE  38          HD13      ILE  38  -4.683  -0.178  -3.725
  277    H    VAL  39           HN       VAL  39  -5.805   3.540  -2.918
  278    HA   VAL  39           HA       VAL  39  -6.335   1.627  -0.888
  279    HB   VAL  39           HB       VAL  39  -7.178   4.521  -0.717
  280   HG11  VAL  39          HG11      VAL  39  -7.707   2.968   1.160
  281   HG12  VAL  39          HG12      VAL  39  -6.565   4.227   1.632
  282   HG13  VAL  39          HG13      VAL  39  -5.989   2.593   1.302
  283   HG21  VAL  39          HG21      VAL  39  -4.412   3.311  -0.826
  284   HG22  VAL  39          HG22      VAL  39  -4.700   4.724   0.190
  285   HG23  VAL  39          HG23      VAL  39  -5.001   4.812  -1.542
  286    H    GLU  40           HN       GLU  40  -8.694   4.078  -2.073
  287    HA   GLU  40           HA       GLU  40 -10.929   2.918  -0.813
  288    HB2  GLU  40           HB2      GLU  40 -10.725   4.482  -3.392
  289    HB3  GLU  40           HB1      GLU  40 -12.267   4.009  -2.682
  290    HG2  GLU  40           HG2      GLU  40 -11.516   5.149  -0.543
  291    HG3  GLU  40           HG1      GLU  40 -10.149   5.792  -1.454
  292    H    GLN  41           HN       GLN  41  -9.717   2.283  -4.116
  293    HA   GLN  41           HA       GLN  41 -11.661   0.527  -5.027
  294    HB2  GLN  41           HB2      GLN  41  -9.557   1.246  -6.240
  295    HB3  GLN  41           HB1      GLN  41  -8.696  -0.022  -5.363
  296    HG2  GLN  41           HG2      GLN  41 -10.186  -1.718  -6.300
  297    HG3  GLN  41           HG1      GLN  41 -11.141  -0.474  -7.104
  298   HE21  GLN  41          HE21      GLN  41 -10.692  -0.737  -9.274
  299   HE22  GLN  41          HE22      GLN  41  -9.135  -0.800  -9.929
  300    H    CYS  42           HN       CYS  42  -8.736  -0.540  -3.249
  301    HA   CYS  42           HA       CYS  42  -9.971  -3.159  -2.784
  302    HB2  CYS  42           HB2      CYS  42  -7.342  -2.044  -1.780
  303    HB3  CYS  42           HB1      CYS  42  -7.845  -3.733  -1.762
  304    H    CYS  43           HN       CYS  43  -9.554  -0.192  -0.942
  305    HA   CYS  43           HA       CYS  43 -10.148  -1.538   1.611
  306    HB2  CYS  43           HB2      CYS  43  -8.689   0.461   1.631
  307    HB3  CYS  43           HB1      CYS  43 -10.008   1.425   0.959
  308    H    HIS  44           HN       HIS  44 -11.790   0.844  -0.483
  309    HA   HIS  44           HA       HIS  44 -14.264   0.730   0.984
  310    HB2  HIS  44           HB2      HIS  44 -13.482   2.544  -0.667
  311    HB3  HIS  44           HB1      HIS  44 -14.001   1.446  -1.944
  312    HD2  HIS  44           HD2      HIS  44 -16.872   0.828  -1.840
  313    HE1  HIS  44           HE1      HIS  44 -17.788   4.211   0.517
  314    HE2  HIS  44           HE2      HIS  44 -18.763   2.357  -0.923
  315    H    SER  45           HN       SER  45 -12.863  -1.204  -1.585
  316    HA   SER  45           HA       SER  45 -15.254  -3.008  -1.443
  317    HB2  SER  45           HB2      SER  45 -15.614  -1.823  -3.487
  318    HB3  SER  45           HB1      SER  45 -13.917  -1.946  -3.938
  319    HG   SER  45           HG       SER  45 -14.698  -3.622  -4.993
  320    H    ILE  46           HN       ILE  46 -14.688  -5.142  -2.588
  321    HA   ILE  46           HA       ILE  46 -12.082  -6.068  -1.532
  322    HB   ILE  46           HB       ILE  46 -14.180  -7.768  -2.894
  323   HG12  ILE  46          HG12      ILE  46 -15.385  -6.408  -1.234
  324   HG13  ILE  46          HG11      ILE  46 -15.257  -8.075  -0.689
  325   HG21  ILE  46          HG21      ILE  46 -12.010  -8.788  -2.304
  326   HG22  ILE  46          HG22      ILE  46 -13.333  -9.472  -1.362
  327   HG23  ILE  46          HG23      ILE  46 -12.242  -8.296  -0.626
  328   HD11  ILE  46          HD11      ILE  46 -13.249  -7.415   0.679
  329   HD12  ILE  46          HD12      ILE  46 -14.740  -6.625   1.181
  330   HD13  ILE  46          HD13      ILE  46 -13.557  -5.739   0.225
  331    H    CYS  47           HN       CYS  47 -10.512  -5.441  -3.055
  332    HA   CYS  47           HA       CYS  47 -11.022  -6.006  -5.929
  333    HB2  CYS  47           HB2      CYS  47  -9.172  -4.627  -6.408
  334    HB3  CYS  47           HB1      CYS  47  -9.915  -3.844  -5.017
  335    H    SER  48           HN       SER  48  -9.578  -7.356  -7.152
  336    HA   SER  48           HA       SER  48  -8.495  -9.599  -5.563
  337    HB2  SER  48           HB2      SER  48  -8.226  -9.550  -8.541
  338    HB3  SER  48           HB1      SER  48  -8.700 -10.871  -7.479
  339    HG   SER  48           HG       SER  48 -10.238  -9.133  -8.830
  340    H    LEU  49           HN       LEU  49  -6.299 -10.458  -6.278
  341    HA   LEU  49           HA       LEU  49  -4.272  -8.536  -5.820
  342    HB2  LEU  49           HB2      LEU  49  -3.907 -11.137  -7.327
  343    HB3  LEU  49           HB1      LEU  49  -2.698 -10.275  -6.381
  344    HG   LEU  49           HG       LEU  49  -5.127 -11.773  -5.374
  345   HD11  LEU  49          HD11      LEU  49  -3.408 -12.884  -3.961
  346   HD12  LEU  49          HD12      LEU  49  -2.163 -11.901  -4.730
  347   HD13  LEU  49          HD13      LEU  49  -3.066 -13.082  -5.680
  348   HD21  LEU  49          HD21      LEU  49  -5.183  -9.783  -4.059
  349   HD22  LEU  49          HD22      LEU  49  -3.425  -9.705  -3.992
  350   HD23  LEU  49          HD23      LEU  49  -4.286 -10.950  -3.089
  351    H    TYR  50           HN       TYR  50  -5.711  -9.757  -8.760
  352    HA   TYR  50           HA       TYR  50  -4.043  -8.961 -10.775
  353    HB2  TYR  50           HB2      TYR  50  -6.483  -9.923 -10.740
  354    HB3  TYR  50           HB1      TYR  50  -6.969  -8.231 -10.875
  355    HD1  TYR  50           HD2      TYR  50  -5.044 -10.935 -12.396
  356    HD2  TYR  50           HD1      TYR  50  -6.658  -7.016 -12.895
  357    HE1  TYR  50           HE2      TYR  50  -4.531 -11.053 -14.834
  358    HE2  TYR  50           HE1      TYR  50  -6.157  -7.101 -15.333
  359    HH   TYR  50           HH       TYR  50  -5.818  -8.885 -17.078
  360    H    GLN  51           HN       GLN  51  -6.520  -6.893  -9.312
  361    HA   GLN  51           HA       GLN  51  -5.711  -4.490 -10.622
  362    HB2  GLN  51           HB2      GLN  51  -6.894  -4.542  -7.840
  363    HB3  GLN  51           HB1      GLN  51  -7.138  -3.362  -9.125
  364    HG2  GLN  51           HG2      GLN  51  -8.178  -5.241 -10.501
  365    HG3  GLN  51           HG1      GLN  51  -8.188  -6.192  -9.019
  366   HE21  GLN  51          HE21      GLN  51  -8.968  -2.761  -9.766
  367   HE22  GLN  51          HE22      GLN  51 -10.485  -2.786  -9.011
  368    H    LEU  52           HN       LEU  52  -4.756  -5.898  -7.505
  369    HA   LEU  52           HA       LEU  52  -3.067  -3.741  -6.727
  370    HB2  LEU  52           HB2      LEU  52  -2.883  -6.683  -6.084
  371    HB3  LEU  52           HB1      LEU  52  -1.962  -5.424  -5.268
  372    HG   LEU  52           HG       LEU  52  -4.989  -5.634  -5.349
  373   HD11  LEU  52          HD11      LEU  52  -4.793  -6.160  -3.005
  374   HD12  LEU  52          HD12      LEU  52  -3.048  -5.918  -3.047
  375   HD13  LEU  52          HD13      LEU  52  -3.776  -7.271  -3.919
  376   HD21  LEU  52          HD21      LEU  52  -4.709  -3.343  -5.112
  377   HD22  LEU  52          HD22      LEU  52  -3.100  -3.508  -4.425
  378   HD23  LEU  52          HD23      LEU  52  -4.520  -3.809  -3.423
  379    H    GLU  53           HN       GLU  53  -2.653  -6.472  -8.833
  380    HA   GLU  53           HA       GLU  53   0.195  -6.201  -9.143
  381    HB2  GLU  53           HB2      GLU  53  -1.783  -8.033  -9.941
  382    HB3  GLU  53           HB1      GLU  53  -1.222  -7.351 -11.464
  383    HG2  GLU  53           HG2      GLU  53   1.183  -7.825 -10.402
  384    HG3  GLU  53           HG1      GLU  53   0.280  -8.987  -9.432
  385    H    ASN  54           HN       ASN  54  -2.390  -4.320 -10.045
  386    HA   ASN  54           HA       ASN  54  -1.412  -3.338 -12.596
  387    HB2  ASN  54           HB2      ASN  54  -3.837  -3.308 -11.593
  388    HB3  ASN  54           HB1      ASN  54  -3.313  -1.826 -10.794
  389   HD21  ASN  54          HD21      ASN  54  -5.360  -1.921 -12.852
  390   HD22  ASN  54          HD22      ASN  54  -4.786  -1.045 -14.185
  391    H    TYR  55           HN       TYR  55  -0.934  -2.518  -9.229
  392    HA   TYR  55           HA       TYR  55   0.527  -0.025  -9.984
  393    HB2  TYR  55           HB2      TYR  55  -0.090  -0.999  -7.192
  394    HB3  TYR  55           HB1      TYR  55   0.283   0.639  -7.717
  395    HD1  TYR  55           HD2      TYR  55  -2.234  -2.021  -7.763
  396    HD2  TYR  55           HD1      TYR  55  -1.384   2.047  -8.727
  397    HE1  TYR  55           HE2      TYR  55  -4.668  -1.624  -8.148
  398    HE2  TYR  55           HE1      TYR  55  -3.800   2.463  -9.128
  399    HH   TYR  55           HH       TYR  55  -5.865   0.774  -9.833
  400    H    CYS  56           HN       CYS  56   1.307  -3.191  -9.802
  401    HA   CYS  56           HA       CYS  56   3.686  -2.973  -8.094
  402    HB2  CYS  56           HB2      CYS  56   2.742  -5.132 -10.003
  403    HB3  CYS  56           HB1      CYS  56   4.212  -5.243  -9.047
  404    H    ASN  57           HN       ASN  57   5.229  -1.591  -8.883
  405    HA   ASN  57           HA       ASN  57   6.734  -0.607 -10.399
  406    HB2  ASN  57           HB2      ASN  57   7.794  -2.791 -10.209
  407    HB3  ASN  57           HB1      ASN  57   6.685  -3.469 -11.402
  408   HD21  ASN  57          HD21      ASN  57   9.802  -2.416 -11.155
  409   HD22  ASN  57          HD22      ASN  57  10.048  -1.852 -12.737
  Start of MODEL   18
    1    H1   PHE   1           HT1      PHE   1  -6.602 -12.652   2.915
    2    H2   PHE   1           HT2      PHE   1  -5.329 -11.821   3.672
    3    H3   PHE   1           HT3      PHE   1  -5.015 -13.237   2.788
    4    HA   PHE   1           HA       PHE   1  -5.634 -10.537   1.827
    5    HB2  PHE   1           HB2      PHE   1  -3.315 -11.642   2.038
    6    HB3  PHE   1           HB1      PHE   1  -3.785 -12.651   0.683
    7    HD1  PHE   1           HD2      PHE   1  -5.448  -9.809  -0.236
    8    HD2  PHE   1           HD1      PHE   1  -1.434 -11.135   0.444
    9    HE1  PHE   1           HE2      PHE   1  -4.619  -8.088  -1.745
   10    HE2  PHE   1           HE1      PHE   1  -0.603  -9.393  -1.071
   11    HZ   PHE   1           HZ       PHE   1  -2.184  -7.860  -2.171
   12    H    VAL   2           HN       VAL   2  -7.681 -12.667   1.838
   13    HA   VAL   2           HA       VAL   2  -7.902 -13.370  -1.057
   14    HB   VAL   2           HB       VAL   2  -9.863 -14.793  -0.013
   15   HG11  VAL   2          HG11      VAL   2  -6.946 -15.413   0.537
   16   HG12  VAL   2          HG12      VAL   2  -7.802 -15.745  -0.968
   17   HG13  VAL   2          HG13      VAL   2  -8.254 -16.595   0.509
   18   HG21  VAL   2          HG21      VAL   2  -8.114 -14.614   2.440
   19   HG22  VAL   2          HG22      VAL   2  -9.770 -15.203   2.299
   20   HG23  VAL   2          HG23      VAL   2  -9.441 -13.473   2.231
   21    H    ASN   3           HN       ASN   3 -10.666 -13.158   1.060
   22    HA   ASN   3           HA       ASN   3 -11.846 -11.090  -0.727
   23    HB2  ASN   3           HB2      ASN   3 -13.280 -12.708   1.388
   24    HB3  ASN   3           HB1      ASN   3 -13.984 -11.848   0.021
   25   HD21  ASN   3          HD21      ASN   3 -14.420 -13.125  -1.765
   26   HD22  ASN   3          HD22      ASN   3 -13.682 -14.615  -2.109
   27    H    GLN   4           HN       GLN   4  -9.913 -10.567   1.517
   28    HA   GLN   4           HA       GLN   4 -11.621  -9.059   3.426
   29    HB2  GLN   4           HB2      GLN   4  -9.140  -8.591   4.350
   30    HB3  GLN   4           HB1      GLN   4  -9.998 -10.085   4.703
   31    HG2  GLN   4           HG2      GLN   4  -8.877 -11.213   2.835
   32    HG3  GLN   4           HG1      GLN   4  -8.051  -9.712   2.409
   33   HE21  GLN   4          HE21      GLN   4  -7.809 -12.554   4.276
   34   HE22  GLN   4          HE22      GLN   4  -6.506 -12.089   5.255
   35    H    HIS   5           HN       HIS   5 -11.094  -6.808   3.873
   36    HA   HIS   5           HA       HIS   5 -10.489  -5.331   1.379
   37    HB2  HIS   5           HB2      HIS   5 -11.279  -3.368   2.799
   38    HB3  HIS   5           HB1      HIS   5 -12.485  -4.611   2.481
   39    HD2  HIS   5           HD2      HIS   5 -10.650  -3.012   5.503
   40    HE1  HIS   5           HE1      HIS   5 -12.908  -6.253   7.000
   41    HE2  HIS   5           HE2      HIS   5 -11.517  -4.222   7.634
   42    H    LEU   6           HN       LEU   6  -8.660  -4.134   1.105
   43    HA   LEU   6           HA       LEU   6  -6.628  -4.151   3.280
   44    HB2  LEU   6           HB2      LEU   6  -6.569  -3.829   0.294
   45    HB3  LEU   6           HB1      LEU   6  -5.309  -3.051   1.221
   46    HG   LEU   6           HG       LEU   6  -4.360  -5.056   1.919
   47   HD11  LEU   6          HD11      LEU   6  -5.745  -7.282   1.595
   48   HD12  LEU   6          HD12      LEU   6  -7.117  -6.188   1.708
   49   HD13  LEU   6          HD13      LEU   6  -5.960  -6.292   3.033
   50   HD21  LEU   6          HD21      LEU   6  -5.696  -5.660  -0.734
   51   HD22  LEU   6          HD22      LEU   6  -4.420  -6.617  -0.030
   52   HD23  LEU   6          HD23      LEU   6  -4.096  -4.959  -0.486
   53    H    CYS   7           HN       CYS   7  -6.264  -2.332   4.443
   54    HA   CYS   7           HA       CYS   7  -6.898   0.319   3.250
   55    HB2  CYS   7           HB2      CYS   7  -7.950  -0.636   5.933
   56    HB3  CYS   7           HB1      CYS   7  -8.109   1.001   5.296
   57    H    GLY   8           HN       GLY   8  -5.212   1.641   3.618
   58    HA2  GLY   8           HA2      GLY   8  -3.376   2.637   4.704
   59    HA3  GLY   8           HA1      GLY   8  -3.861   1.794   6.174
   60    H    SER   9           HN       SER   9  -1.715   1.169   6.678
   61    HA   SER   9           HA       SER   9   0.254   0.057   5.078
   62    HB2  SER   9           HB2      SER   9  -0.537  -0.893   7.848
   63    HB3  SER   9           HB1      SER   9   1.015  -1.190   7.069
   64    HG   SER   9           HG       SER   9  -0.109   1.222   7.999
   65    H    ASP  10           HN       ASP  10  -2.742  -1.506   6.112
   66    HA   ASP  10           HA       ASP  10  -2.155  -4.200   5.650
   67    HB2  ASP  10           HB2      ASP  10  -4.625  -2.549   5.121
   68    HB3  ASP  10           HB1      ASP  10  -4.596  -4.269   4.733
   69    H    LEU  11           HN       LEU  11  -3.206  -1.788   3.232
   70    HA   LEU  11           HA       LEU  11  -3.051  -3.449   0.969
   71    HB2  LEU  11           HB2      LEU  11  -3.999  -1.213   0.774
   72    HB3  LEU  11           HB1      LEU  11  -2.470  -0.483   1.246
   73    HG   LEU  11           HG       LEU  11  -1.411  -1.213  -0.802
   74   HD11  LEU  11          HD11      LEU  11  -3.970  -2.742  -1.229
   75   HD12  LEU  11          HD12      LEU  11  -2.325  -3.377  -1.154
   76   HD13  LEU  11          HD13      LEU  11  -2.827  -2.398  -2.518
   77   HD21  LEU  11          HD21      LEU  11  -2.831   0.830  -0.946
   78   HD22  LEU  11          HD22      LEU  11  -4.180  -0.181  -1.468
   79   HD23  LEU  11          HD23      LEU  11  -2.741  -0.040  -2.477
   80    H    VAL  12           HN       VAL  12  -0.507  -1.324   2.313
   81    HA   VAL  12           HA       VAL  12   1.566  -1.901   0.538
   82    HB   VAL  12           HB       VAL  12   1.930  -1.723   3.541
   83   HG11  VAL  12          HG11      VAL  12   3.879  -2.299   1.932
   84   HG12  VAL  12          HG12      VAL  12   4.115  -0.957   3.047
   85   HG13  VAL  12          HG13      VAL  12   3.718  -0.639   1.360
   86   HG21  VAL  12          HG21      VAL  12   1.679   0.516   1.511
   87   HG22  VAL  12          HG22      VAL  12   2.027   0.713   3.226
   88   HG23  VAL  12          HG23      VAL  12   0.457   0.100   2.710
   89    H    GLU  13           HN       GLU  13   1.242  -3.578   3.691
   90    HA   GLU  13           HA       GLU  13   3.041  -5.654   3.211
   91    HB2  GLU  13           HB2      GLU  13   0.373  -5.971   4.616
   92    HB3  GLU  13           HB1      GLU  13   1.815  -6.956   4.859
   93    HG2  GLU  13           HG2      GLU  13   3.015  -4.800   5.520
   94    HG3  GLU  13           HG1      GLU  13   1.423  -4.043   5.571
   95    H    ALA  14           HN       ALA  14  -0.124  -5.183   1.831
   96    HA   ALA  14           HA       ALA  14  -0.294  -7.929   0.816
   97    HB1  ALA  14           HB1      ALA  14  -2.474  -7.359   0.745
   98    HB2  ALA  14           HB2      ALA  14  -2.129  -6.235  -0.575
   99    HB3  ALA  14           HB3      ALA  14  -2.080  -5.680   1.092
  100    H    LEU  15           HN       LEU  15   0.112  -4.692  -0.753
  101    HA   LEU  15           HA       LEU  15   0.612  -5.671  -3.335
  102    HB2  LEU  15           HB2      LEU  15   1.777  -3.290  -1.892
  103    HB3  LEU  15           HB1      LEU  15   2.196  -3.651  -3.563
  104    HG   LEU  15           HG       LEU  15  -0.716  -3.495  -2.785
  105   HD11  LEU  15          HD11      LEU  15  -0.779  -1.128  -3.122
  106   HD12  LEU  15          HD12      LEU  15   0.889  -1.088  -3.686
  107   HD13  LEU  15          HD13      LEU  15   0.542  -1.393  -1.988
  108   HD21  LEU  15          HD21      LEU  15   0.747  -2.690  -5.315
  109   HD22  LEU  15          HD22      LEU  15  -0.992  -2.879  -5.109
  110   HD23  LEU  15          HD23      LEU  15   0.059  -4.290  -5.060
  111    H    TYR  16           HN       TYR  16   2.729  -5.548  -0.519
  112    HA   TYR  16           HA       TYR  16   5.214  -6.063  -1.686
  113    HB2  TYR  16           HB2      TYR  16   4.971  -5.692   0.700
  114    HB3  TYR  16           HB1      TYR  16   4.083  -7.203   0.875
  115    HD1  TYR  16           HD2      TYR  16   7.306  -5.999  -0.651
  116    HD2  TYR  16           HD1      TYR  16   5.309  -9.035   1.628
  117    HE1  TYR  16           HE2      TYR  16   9.449  -7.218  -0.399
  118    HE2  TYR  16           HE1      TYR  16   7.451 -10.259   1.882
  119    HH   TYR  16           HH       TYR  16  10.484  -8.934   0.564
  120    H    LEU  17           HN       LEU  17   2.772  -8.559  -0.777
  121    HA   LEU  17           HA       LEU  17   4.350 -10.724  -1.866
  122    HB2  LEU  17           HB2      LEU  17   1.338 -10.575  -1.535
  123    HB3  LEU  17           HB1      LEU  17   2.271 -12.028  -1.821
  124    HG   LEU  17           HG       LEU  17   3.537 -11.511   0.327
  125   HD11  LEU  17          HD11      LEU  17   1.431  -9.369   0.387
  126   HD12  LEU  17          HD12      LEU  17   3.108  -9.303   0.902
  127   HD13  LEU  17          HD13      LEU  17   1.917 -10.115   1.905
  128   HD21  LEU  17          HD21      LEU  17   1.495 -12.258   1.747
  129   HD22  LEU  17          HD22      LEU  17   1.978 -13.296   0.406
  130   HD23  LEU  17          HD23      LEU  17   0.598 -12.216   0.230
  131    H    VAL  18           HN       VAL  18   1.542  -8.926  -3.091
  132    HA   VAL  18           HA       VAL  18   1.253 -10.116  -5.600
  133    HB   VAL  18           HB       VAL  18   1.037  -7.156  -5.006
  134   HG11  VAL  18          HG11      VAL  18  -0.537  -8.813  -6.965
  135   HG12  VAL  18          HG12      VAL  18   0.910  -7.915  -7.412
  136   HG13  VAL  18          HG13      VAL  18  -0.501  -7.063  -6.810
  137   HG21  VAL  18          HG21      VAL  18  -1.290  -7.612  -4.412
  138   HG22  VAL  18          HG22      VAL  18  -0.221  -8.558  -3.378
  139   HG23  VAL  18          HG23      VAL  18  -1.053  -9.329  -4.727
  140    H    CYS  19           HN       CYS  19   3.160  -7.175  -4.946
  141    HA   CYS  19           HA       CYS  19   4.455  -7.303  -7.543
  142    HB2  CYS  19           HB2      CYS  19   5.405  -5.667  -5.198
  143    HB3  CYS  19           HB1      CYS  19   5.490  -5.286  -6.913
  144    H    GLY  20           HN       GLY  20   5.123  -8.538  -4.385
  145    HA2  GLY  20           HA2      GLY  20   6.984  -9.691  -3.518
  146    HA3  GLY  20           HA1      GLY  20   7.079 -10.363  -5.142
  147    H    GLU  21           HN       GLU  21   9.071 -10.114  -5.992
  148    HA   GLU  21           HA       GLU  21  10.931  -8.123  -4.947
  149    HB2  GLU  21           HB2      GLU  21  11.129 -10.108  -7.226
  150    HB3  GLU  21           HB1      GLU  21  12.457  -9.072  -6.703
  151    HG2  GLU  21           HG2      GLU  21  12.229 -10.039  -4.402
  152    HG3  GLU  21           HG1      GLU  21  11.025 -11.159  -5.039
  153    H    ARG  22           HN       ARG  22   8.600  -8.170  -7.462
  154    HA   ARG  22           HA       ARG  22   9.815  -6.533  -9.418
  155    HB2  ARG  22           HB2      ARG  22   6.918  -6.432  -8.525
  156    HB3  ARG  22           HB1      ARG  22   7.551  -5.895 -10.080
  157    HG2  ARG  22           HG2      ARG  22   8.302  -8.211 -10.559
  158    HG3  ARG  22           HG1      ARG  22   7.610  -8.739  -9.025
  159    HD2  ARG  22           HD2      ARG  22   5.907  -9.223 -10.583
  160    HD3  ARG  22           HD1      ARG  22   5.404  -7.677  -9.900
  161    HE   ARG  22           HE       ARG  22   6.926  -6.958 -12.099
  162   HH11  ARG  22          HH21      ARG  22   4.250  -9.041 -11.481
  163   HH12  ARG  22          HH22      ARG  22   3.558  -8.841 -13.056
  164   HH21  ARG  22          HH11      ARG  22   6.040  -6.686 -14.161
  165   HH22  ARG  22          HH12      ARG  22   4.572  -7.507 -14.574
  166    H    GLY  23           HN       GLY  23   8.536  -5.729  -6.252
  167    HA2  GLY  23           HA2      GLY  23   8.855  -3.745  -5.019
  168    HA3  GLY  23           HA1      GLY  23   9.799  -3.103  -6.368
  169    H    PHE  24           HN       PHE  24   7.697  -1.659  -4.917
  170    HA   PHE  24           HA       PHE  24   6.108  -0.875  -7.253
  171    HB2  PHE  24           HB2      PHE  24   3.956  -1.283  -6.250
  172    HB3  PHE  24           HB1      PHE  24   4.874  -2.784  -6.201
  173    HD1  PHE  24           HD1      PHE  24   5.780  -3.653  -4.097
  174    HD2  PHE  24           HD2      PHE  24   3.499  -0.013  -4.199
  175    HE1  PHE  24           HE1      PHE  24   5.512  -3.749  -1.636
  176    HE2  PHE  24           HE2      PHE  24   3.225  -0.122  -1.735
  177    HZ   PHE  24           HZ       PHE  24   4.231  -1.985  -0.460
  178    H    PHE  25           HN       PHE  25   4.572   0.922  -6.582
  179    HA   PHE  25           HA       PHE  25   5.877   2.684  -4.535
  180    HB2  PHE  25           HB2      PHE  25   5.008   4.568  -5.973
  181    HB3  PHE  25           HB1      PHE  25   6.240   3.582  -6.762
  182    HD1  PHE  25           HD1      PHE  25   2.593   4.270  -6.562
  183    HD2  PHE  25           HD2      PHE  25   5.720   2.201  -8.662
  184    HE1  PHE  25           HE1      PHE  25   1.000   3.724  -8.391
  185    HE2  PHE  25           HE2      PHE  25   4.133   1.661 -10.489
  186    HZ   PHE  25           HZ       PHE  25   1.777   2.421 -10.354
  187    H    TYR  26           HN       TYR  26   4.520   3.479  -2.956
  188    HA   TYR  26           HA       TYR  26   1.781   2.502  -2.885
  189    HB2  TYR  26           HB2      TYR  26   3.357   3.066  -0.861
  190    HB3  TYR  26           HB1      TYR  26   2.795   4.722  -1.097
  191    HD1  TYR  26           HD1      TYR  26   1.442   1.226  -0.887
  192    HD2  TYR  26           HD2      TYR  26   0.812   5.386  -0.002
  193    HE1  TYR  26           HE1      TYR  26  -0.668   0.677   0.295
  194    HE2  TYR  26           HE2      TYR  26  -1.286   4.819   1.185
  195    HH   TYR  26           HH       TYR  26  -2.806   1.839   0.896
  196    H    THR  27           HN       THR  27  -0.023   4.239  -2.475
  197    HA   THR  27           HA       THR  27  -0.170   5.825  -4.845
  198    HB   THR  27           HB       THR  27  -2.156   4.980  -3.672
  199    HG1  THR  27           HG1      THR  27  -3.336   6.785  -4.029
  200   HG21  THR  27          HG21      THR  27  -1.338   6.965  -1.533
  201   HG22  THR  27          HG22      THR  27  -1.546   5.227  -1.366
  202   HG23  THR  27          HG23      THR  27  -2.945   6.253  -1.644
  203    H    ASP  28           HN       ASP  28  -0.752   8.298  -4.596
  204    HA   ASP  28           HA       ASP  28   1.520   9.730  -4.140
  205    HB2  ASP  28           HB2      ASP  28  -1.166  10.343  -4.691
  206    HB3  ASP  28           HB1      ASP  28  -0.790  11.325  -3.279
  207    HA   PRO  29           HA       PRO  29   2.092   9.849   0.306
  208    HB2  PRO  29           HB2      PRO  29   3.617  12.146   0.537
  209    HB3  PRO  29           HB1      PRO  29   4.256  10.606  -0.057
  210    HG2  PRO  29           HG2      PRO  29   3.552  13.067  -1.594
  211    HG3  PRO  29           HG1      PRO  29   4.750  11.819  -1.966
  212    HD2  PRO  29           HD2      PRO  29   2.200  12.045  -3.161
  213    HD3  PRO  29           HD1      PRO  29   3.259  10.618  -3.212
  214    H    THR  30           HN       THR  30   0.328  12.206  -1.386
  215    HA   THR  30           HA       THR  30  -0.074  14.287   0.437
  216    HB   THR  30           HB       THR  30  -2.160  14.721  -0.716
  217    HG1  THR  30           HG1      THR  30  -3.014  13.123  -2.091
  218   HG21  THR  30          HG21      THR  30  -1.359  14.646  -3.040
  219   HG22  THR  30          HG22      THR  30  -0.131  13.466  -2.587
  220   HG23  THR  30          HG23      THR  30  -0.050  15.108  -1.952
  221    H    GLY  31           HN       GLY  31  -1.737  11.132   0.391
  222    HA2  GLY  31           HA2      GLY  31  -2.902  10.067   2.146
  223    HA3  GLY  31           HA1      GLY  31  -2.209  11.266   3.231
  224    H    GLY  32           HN       GLY  32  -3.486  13.336   1.226
  225    HA2  GLY  32           HA2      GLY  32  -6.063  13.467   2.700
  226    HA3  GLY  32           HA1      GLY  32  -5.346  14.778   1.765
  227    H    GLY  33           HN       GLY  33  -4.773  13.054  -0.517
  228    HA2  GLY  33           HA2      GLY  33  -7.245  11.880  -1.460
  229    HA3  GLY  33           HA1      GLY  33  -6.965  13.472  -2.172
  230    HA   PRO  34           HA       PRO  34  -3.090  11.064  -3.569
  231    HB2  PRO  34           HB2      PRO  34  -2.749   8.507  -2.559
  232    HB3  PRO  34           HB1      PRO  34  -2.053   9.950  -1.833
  233    HG2  PRO  34           HG2      PRO  34  -4.430   8.359  -0.973
  234    HG3  PRO  34           HG1      PRO  34  -3.275   9.273   0.013
  235    HD2  PRO  34           HD2      PRO  34  -5.834  10.174  -0.639
  236    HD3  PRO  34           HD1      PRO  34  -4.474  11.221  -0.176
  237    H    ARG  35           HN       ARG  35  -2.731   8.702  -4.803
  238    HA   ARG  35           HA       ARG  35  -4.827   8.495  -6.700
  239    HB2  ARG  35           HB2      ARG  35  -2.351   7.591  -6.769
  240    HB3  ARG  35           HB1      ARG  35  -3.048   6.132  -6.074
  241    HG2  ARG  35           HG2      ARG  35  -4.710   6.119  -7.957
  242    HG3  ARG  35           HG1      ARG  35  -3.800   7.430  -8.702
  243    HD2  ARG  35           HD2      ARG  35  -1.743   5.801  -8.333
  244    HD3  ARG  35           HD1      ARG  35  -2.989   4.556  -8.287
  245    HE   ARG  35           HE       ARG  35  -1.949   5.764 -10.636
  246   HH11  ARG  35          HH21      ARG  35  -5.009   5.042  -9.206
  247   HH12  ARG  35          HH22      ARG  35  -5.881   5.213 -10.688
  248   HH21  ARG  35          HH11      ARG  35  -3.072   5.957 -12.569
  249   HH22  ARG  35          HH12      ARG  35  -4.788   5.717 -12.590
  250    H    ARG  36           HN       ARG  36  -6.783   8.338  -5.412
  251    HA   ARG  36           HA       ARG  36  -7.259   6.328  -3.458
  252    HB2  ARG  36           HB2      ARG  36  -9.361   7.362  -5.373
  253    HB3  ARG  36           HB1      ARG  36  -9.577   6.842  -3.702
  254    HG2  ARG  36           HG2      ARG  36  -8.046   8.745  -3.021
  255    HG3  ARG  36           HG1      ARG  36  -8.154   9.329  -4.677
  256    HD2  ARG  36           HD2      ARG  36 -10.384   9.032  -2.666
  257    HD3  ARG  36           HD1      ARG  36  -9.837  10.513  -3.440
  258    HE   ARG  36           HE       ARG  36 -11.827   8.691  -4.432
  259   HH11  ARG  36          HH21      ARG  36  -9.105  10.521  -5.520
  260   HH12  ARG  36          HH22      ARG  36  -9.555  10.422  -7.188
  261   HH21  ARG  36          HH11      ARG  36 -12.421   8.576  -6.588
  262   HH22  ARG  36          HH12      ARG  36 -11.431   9.333  -7.791
  263    H    GLY  37           HN       GLY  37  -7.271   6.280  -6.942
  264    HA2  GLY  37           HA2      GLY  37  -8.727   4.078  -7.675
  265    HA3  GLY  37           HA1      GLY  37  -7.149   4.419  -8.382
  266    H    ILE  38           HN       ILE  38  -5.898   4.033  -5.606
  267    HA   ILE  38           HA       ILE  38  -5.843   1.057  -5.756
  268    HB   ILE  38           HB       ILE  38  -3.750   2.805  -5.834
  269   HG12  ILE  38          HG12      ILE  38  -3.292   0.602  -6.446
  270   HG13  ILE  38          HG11      ILE  38  -2.322   0.785  -5.003
  271   HG21  ILE  38          HG21      ILE  38  -4.001   3.582  -3.537
  272   HG22  ILE  38          HG22      ILE  38  -2.502   2.682  -3.717
  273   HG23  ILE  38          HG23      ILE  38  -3.881   1.932  -2.931
  274   HD11  ILE  38          HD11      ILE  38  -3.324  -1.198  -4.464
  275   HD12  ILE  38          HD12      ILE  38  -4.732  -0.905  -5.472
  276   HD13  ILE  38          HD13      ILE  38  -4.606  -0.153  -3.884
  277    H    VAL  39           HN       VAL  39  -5.734   3.605  -3.236
  278    HA   VAL  39           HA       VAL  39  -6.206   1.828  -1.081
  279    HB   VAL  39           HB       VAL  39  -7.098   4.711  -1.102
  280   HG11  VAL  39          HG11      VAL  39  -7.604   3.259   0.870
  281   HG12  VAL  39          HG12      VAL  39  -6.511   4.587   1.260
  282   HG13  VAL  39          HG13      VAL  39  -5.876   2.955   1.048
  283   HG21  VAL  39          HG21      VAL  39  -4.321   3.526  -1.140
  284   HG22  VAL  39          HG22      VAL  39  -4.620   4.994  -0.208
  285   HG23  VAL  39          HG23      VAL  39  -4.926   4.977  -1.942
  286    H    GLU  40           HN       GLU  40  -8.654   4.141  -2.376
  287    HA   GLU  40           HA       GLU  40 -10.782   2.926  -0.954
  288    HB2  GLU  40           HB2      GLU  40 -12.240   4.311  -2.153
  289    HB3  GLU  40           HB1      GLU  40 -10.721   5.198  -2.170
  290    HG2  GLU  40           HG2      GLU  40 -11.361   5.326  -4.415
  291    HG3  GLU  40           HG1      GLU  40 -10.303   3.921  -4.417
  292    H    GLN  41           HN       GLN  41  -9.563   2.217  -4.216
  293    HA   GLN  41           HA       GLN  41 -11.593   0.499  -5.104
  294    HB2  GLN  41           HB2      GLN  41  -9.521   1.154  -6.383
  295    HB3  GLN  41           HB1      GLN  41  -8.625  -0.045  -5.451
  296    HG2  GLN  41           HG2      GLN  41 -10.001  -1.833  -6.308
  297    HG3  GLN  41           HG1      GLN  41 -11.107  -0.691  -7.068
  298   HE21  GLN  41          HE21      GLN  41 -10.786  -1.077  -9.257
  299   HE22  GLN  41          HE22      GLN  41  -9.280  -0.992 -10.022
  300    H    CYS  42           HN       CYS  42  -8.665  -0.480  -3.306
  301    HA   CYS  42           HA       CYS  42  -9.866  -3.095  -2.726
  302    HB2  CYS  42           HB2      CYS  42  -7.237  -1.884  -1.834
  303    HB3  CYS  42           HB1      CYS  42  -7.715  -3.572  -1.662
  304    H    CYS  43           HN       CYS  43  -9.438  -0.034  -1.037
  305    HA   CYS  43           HA       CYS  43 -10.018  -1.249   1.582
  306    HB2  CYS  43           HB2      CYS  43  -8.530   0.758   1.380
  307    HB3  CYS  43           HB1      CYS  43  -9.927   1.688   0.832
  308    H    HIS  44           HN       HIS  44 -11.683   1.071  -0.581
  309    HA   HIS  44           HA       HIS  44 -14.127   0.994   0.954
  310    HB2  HIS  44           HB2      HIS  44 -13.358   2.794  -0.736
  311    HB3  HIS  44           HB1      HIS  44 -13.954   1.699  -1.983
  312    HD2  HIS  44           HD2      HIS  44 -16.838   0.964  -1.460
  313    HE1  HIS  44           HE1      HIS  44 -17.567   4.674   0.425
  314    HE2  HIS  44           HE2      HIS  44 -18.652   2.620  -0.609
  315    H    SER  45           HN       SER  45 -12.771  -0.961  -1.601
  316    HA   SER  45           HA       SER  45 -15.157  -2.760  -1.425
  317    HB2  SER  45           HB2      SER  45 -14.544  -3.115  -4.027
  318    HB3  SER  45           HB1      SER  45 -15.691  -1.888  -3.501
  319    HG   SER  45           HG       SER  45 -14.267  -0.363  -3.912
  320    H    ILE  46           HN       ILE  46 -14.631  -4.980  -2.109
  321    HA   ILE  46           HA       ILE  46 -11.936  -5.728  -1.215
  322    HB   ILE  46           HB       ILE  46 -14.019  -7.645  -2.280
  323   HG12  ILE  46          HG12      ILE  46 -15.093  -6.017  -0.611
  324   HG13  ILE  46          HG11      ILE  46 -15.175  -7.719  -0.194
  325   HG21  ILE  46          HG21      ILE  46 -11.892  -8.621  -1.726
  326   HG22  ILE  46          HG22      ILE  46 -13.041  -9.073  -0.471
  327   HG23  ILE  46          HG23      ILE  46 -11.857  -7.804  -0.164
  328   HD11  ILE  46          HD11      ILE  46 -13.782  -7.496   1.605
  329   HD12  ILE  46          HD12      ILE  46 -14.354  -5.830   1.550
  330   HD13  ILE  46          HD13      ILE  46 -12.799  -6.250   0.841
  331    H    CYS  47           HN       CYS  47 -10.455  -5.245  -2.846
  332    HA   CYS  47           HA       CYS  47 -11.077  -6.012  -5.639
  333    HB2  CYS  47           HB2      CYS  47  -9.159  -4.767  -6.260
  334    HB3  CYS  47           HB1      CYS  47  -9.866  -3.846  -4.935
  335    H    SER  48           HN       SER  48  -9.410  -7.282  -6.856
  336    HA   SER  48           HA       SER  48  -8.488  -9.584  -5.204
  337    HB2  SER  48           HB2      SER  48  -8.034 -10.506  -7.622
  338    HB3  SER  48           HB1      SER  48  -9.691 -10.402  -7.040
  339    HG   SER  48           HG       SER  48  -9.418  -8.118  -8.019
  340    H    LEU  49           HN       LEU  49  -6.310 -10.502  -5.866
  341    HA   LEU  49           HA       LEU  49  -4.249  -8.589  -5.513
  342    HB2  LEU  49           HB2      LEU  49  -3.932 -11.267  -6.890
  343    HB3  LEU  49           HB1      LEU  49  -2.700 -10.374  -6.005
  344    HG   LEU  49           HG       LEU  49  -5.126 -11.800  -4.896
  345   HD11  LEU  49          HD11      LEU  49  -3.042 -13.105  -5.166
  346   HD12  LEU  49          HD12      LEU  49  -3.416 -12.864  -3.459
  347   HD13  LEU  49          HD13      LEU  49  -2.165 -11.891  -4.232
  348   HD21  LEU  49          HD21      LEU  49  -3.408  -9.670  -3.631
  349   HD22  LEU  49          HD22      LEU  49  -4.275 -10.862  -2.664
  350   HD23  LEU  49          HD23      LEU  49  -5.169  -9.741  -3.688
  351    H    TYR  50           HN       TYR  50  -5.739  -9.938  -8.362
  352    HA   TYR  50           HA       TYR  50  -4.091  -9.269 -10.442
  353    HB2  TYR  50           HB2      TYR  50  -6.544 -10.205 -10.308
  354    HB3  TYR  50           HB1      TYR  50  -7.012  -8.520 -10.541
  355    HD1  TYR  50           HD2      TYR  50  -5.144 -11.340 -11.921
  356    HD2  TYR  50           HD1      TYR  50  -6.722  -7.439 -12.638
  357    HE1  TYR  50           HE2      TYR  50  -4.682 -11.619 -14.355
  358    HE2  TYR  50           HE1      TYR  50  -6.271  -7.687 -15.075
  359    HH   TYR  50           HH       TYR  50  -5.464  -9.007 -16.669
  360    H    GLN  51           HN       GLN  51  -6.550  -7.111  -9.080
  361    HA   GLN  51           HA       GLN  51  -5.739  -4.781 -10.512
  362    HB2  GLN  51           HB2      GLN  51  -6.905  -4.679  -7.724
  363    HB3  GLN  51           HB1      GLN  51  -7.160  -3.575  -9.072
  364    HG2  GLN  51           HG2      GLN  51  -8.208  -5.535 -10.328
  365    HG3  GLN  51           HG1      GLN  51  -8.210  -6.391  -8.790
  366   HE21  GLN  51          HE21      GLN  51  -8.998  -3.015  -9.754
  367   HE22  GLN  51          HE22      GLN  51 -10.508  -2.989  -8.985
  368    H    LEU  52           HN       LEU  52  -4.780  -6.021  -7.323
  369    HA   LEU  52           HA       LEU  52  -3.077  -3.831  -6.670
  370    HB2  LEU  52           HB2      LEU  52  -2.884  -6.740  -5.877
  371    HB3  LEU  52           HB1      LEU  52  -1.970  -5.436  -5.128
  372    HG   LEU  52           HG       LEU  52  -4.996  -5.673  -5.186
  373   HD11  LEU  52          HD11      LEU  52  -4.784  -6.073  -2.815
  374   HD12  LEU  52          HD12      LEU  52  -3.040  -5.827  -2.883
  375   HD13  LEU  52          HD13      LEU  52  -3.769  -7.226  -3.677
  376   HD21  LEU  52          HD21      LEU  52  -4.729  -3.371  -5.069
  377   HD22  LEU  52          HD22      LEU  52  -3.118  -3.492  -4.380
  378   HD23  LEU  52          HD23      LEU  52  -4.532  -3.749  -3.357
  379    H    GLU  53           HN       GLU  53  -2.707  -6.667  -8.636
  380    HA   GLU  53           HA       GLU  53   0.139  -6.445  -8.998
  381    HB2  GLU  53           HB2      GLU  53  -1.875  -8.291  -9.673
  382    HB3  GLU  53           HB1      GLU  53  -1.321  -7.698 -11.236
  383    HG2  GLU  53           HG2      GLU  53   1.090  -8.152 -10.164
  384    HG3  GLU  53           HG1      GLU  53   0.174  -9.258  -9.142
  385    H    ASN  54           HN       ASN  54  -2.439  -4.585  -9.964
  386    HA   ASN  54           HA       ASN  54  -1.486  -3.751 -12.576
  387    HB2  ASN  54           HB2      ASN  54  -3.894  -3.634 -11.556
  388    HB3  ASN  54           HB1      ASN  54  -3.342  -2.129 -10.821
  389   HD21  ASN  54          HD21      ASN  54  -5.402  -2.339 -12.890
  390   HD22  ASN  54          HD22      ASN  54  -4.831  -1.498 -14.246
  391    H    TYR  55           HN       TYR  55  -0.956  -2.747  -9.263
  392    HA   TYR  55           HA       TYR  55   0.531  -0.323 -10.180
  393    HB2  TYR  55           HB2      TYR  55  -0.042  -1.125  -7.326
  394    HB3  TYR  55           HB1      TYR  55   0.328   0.476  -7.957
  395    HD1  TYR  55           HD2      TYR  55  -2.203  -2.176  -7.812
  396    HD2  TYR  55           HD1      TYR  55  -1.355   1.839  -8.988
  397    HE1  TYR  55           HE2      TYR  55  -4.640  -1.785  -8.176
  398    HE2  TYR  55           HE1      TYR  55  -3.774   2.250  -9.365
  399    HH   TYR  55           HH       TYR  55  -5.795   1.153  -9.693
  400    H    CYS  56           HN       CYS  56   1.262  -3.486  -9.818
  401    HA   CYS  56           HA       CYS  56   3.660  -3.224  -8.153
  402    HB2  CYS  56           HB2      CYS  56   2.640  -5.436  -9.954
  403    HB3  CYS  56           HB1      CYS  56   4.140  -5.543  -9.043
  404    H    ASN  57           HN       ASN  57   5.253  -1.940  -8.996
  405    HA   ASN  57           HA       ASN  57   6.791  -1.068 -10.548
  406    HB2  ASN  57           HB2      ASN  57   7.733  -3.308 -10.348
  407    HB3  ASN  57           HB1      ASN  57   6.572  -3.934 -11.519
  408   HD21  ASN  57          HD21      ASN  57   9.541  -2.075 -11.159
  409   HD22  ASN  57          HD22      ASN  57   9.882  -1.947 -12.817
  Start of MODEL   19
    1    H1   PHE   1           HT1      PHE   1  -5.215 -11.797   3.699
    2    H2   PHE   1           HT2      PHE   1  -4.998 -13.236   2.822
    3    H3   PHE   1           HT3      PHE   1  -6.552 -12.577   3.006
    4    HA   PHE   1           HA       PHE   1  -5.593 -10.531   1.835
    5    HB2  PHE   1           HB2      PHE   1  -3.269 -11.639   2.050
    6    HB3  PHE   1           HB1      PHE   1  -3.748 -12.655   0.702
    7    HD1  PHE   1           HD2      PHE   1  -5.421  -9.831  -0.230
    8    HD2  PHE   1           HD1      PHE   1  -1.398 -11.130   0.458
    9    HE1  PHE   1           HE2      PHE   1  -4.599  -8.107  -1.744
   10    HE2  PHE   1           HE1      PHE   1  -0.575  -9.388  -1.063
   11    HZ   PHE   1           HZ       PHE   1  -2.164  -7.868  -2.167
   12    H    VAL   2           HN       VAL   2  -7.609 -12.718   1.907
   13    HA   VAL   2           HA       VAL   2  -7.843 -13.467  -0.971
   14    HB   VAL   2           HB       VAL   2  -9.806 -14.866   0.111
   15   HG11  VAL   2          HG11      VAL   2  -7.815 -15.895  -0.838
   16   HG12  VAL   2          HG12      VAL   2  -8.151 -16.641   0.725
   17   HG13  VAL   2          HG13      VAL   2  -6.866 -15.442   0.578
   18   HG21  VAL   2          HG21      VAL   2  -9.371 -13.505   2.324
   19   HG22  VAL   2          HG22      VAL   2  -8.037 -14.633   2.546
   20   HG23  VAL   2          HG23      VAL   2  -9.690 -15.235   2.429
   21    H    ASN   3           HN       ASN   3 -10.606 -13.206   1.145
   22    HA   ASN   3           HA       ASN   3 -11.785 -11.185  -0.696
   23    HB2  ASN   3           HB2      ASN   3 -13.217 -12.794   1.426
   24    HB3  ASN   3           HB1      ASN   3 -13.927 -11.937   0.060
   25   HD21  ASN   3          HD21      ASN   3 -14.324 -13.194  -1.749
   26   HD22  ASN   3          HD22      ASN   3 -13.589 -14.686  -2.086
   27    H    GLN   4           HN       GLN   4  -9.884 -10.611   1.567
   28    HA   GLN   4           HA       GLN   4 -11.630  -9.073   3.418
   29    HB2  GLN   4           HB2      GLN   4  -9.167  -8.589   4.384
   30    HB3  GLN   4           HB1      GLN   4 -10.029 -10.080   4.743
   31    HG2  GLN   4           HG2      GLN   4  -8.869 -11.232   2.912
   32    HG3  GLN   4           HG1      GLN   4  -8.038  -9.736   2.481
   33   HE21  GLN   4          HE21      GLN   4  -7.721 -12.574   4.275
   34   HE22  GLN   4          HE22      GLN   4  -6.479 -12.080   5.319
   35    H    HIS   5           HN       HIS   5 -11.136  -6.821   3.833
   36    HA   HIS   5           HA       HIS   5 -10.487  -5.376   1.336
   37    HB2  HIS   5           HB2      HIS   5 -11.267  -3.387   2.781
   38    HB3  HIS   5           HB1      HIS   5 -12.477  -4.592   2.354
   39    HD2  HIS   5           HD2      HIS   5 -10.449  -3.446   5.538
   40    HE1  HIS   5           HE1      HIS   5 -13.458  -6.142   6.771
   41    HE2  HIS   5           HE2      HIS   5 -11.654  -4.537   7.567
   42    H    LEU   6           HN       LEU   6  -8.682  -4.140   1.073
   43    HA   LEU   6           HA       LEU   6  -6.650  -4.150   3.251
   44    HB2  LEU   6           HB2      LEU   6  -6.591  -3.857   0.263
   45    HB3  LEU   6           HB1      LEU   6  -5.333  -3.064   1.180
   46    HG   LEU   6           HG       LEU   6  -4.388  -5.063   1.916
   47   HD11  LEU   6          HD11      LEU   6  -6.013  -6.295   3.011
   48   HD12  LEU   6          HD12      LEU   6  -5.756  -7.294   1.589
   49   HD13  LEU   6          HD13      LEU   6  -7.139  -6.208   1.659
   50   HD21  LEU   6          HD21      LEU   6  -4.092  -4.975  -0.485
   51   HD22  LEU   6          HD22      LEU   6  -5.689  -5.681  -0.750
   52   HD23  LEU   6          HD23      LEU   6  -4.419  -6.633  -0.027
   53    H    CYS   7           HN       CYS   7  -6.333  -2.329   4.424
   54    HA   CYS   7           HA       CYS   7  -6.942   0.318   3.201
   55    HB2  CYS   7           HB2      CYS   7  -8.009  -0.614   5.887
   56    HB3  CYS   7           HB1      CYS   7  -8.161   1.018   5.236
   57    H    GLY   8           HN       GLY   8  -5.248   1.632   3.568
   58    HA2  GLY   8           HA2      GLY   8  -3.415   2.630   4.659
   59    HA3  GLY   8           HA1      GLY   8  -3.924   1.813   6.135
   60    H    SER   9           HN       SER   9  -1.806   1.167   6.691
   61    HA   SER   9           HA       SER   9   0.196   0.034   5.150
   62    HB2  SER   9           HB2      SER   9  -0.710  -0.752   7.930
   63    HB3  SER   9           HB1      SER   9   0.785  -1.326   7.198
   64    HG   SER   9           HG       SER   9   1.293   0.504   8.323
   65    H    ASP  10           HN       ASP  10  -2.827  -1.518   6.136
   66    HA   ASP  10           HA       ASP  10  -2.240  -4.212   5.681
   67    HB2  ASP  10           HB2      ASP  10  -4.701  -2.556   5.128
   68    HB3  ASP  10           HB1      ASP  10  -4.670  -4.271   4.724
   69    H    LEU  11           HN       LEU  11  -3.243  -1.795   3.250
   70    HA   LEU  11           HA       LEU  11  -3.071  -3.456   0.987
   71    HB2  LEU  11           HB2      LEU  11  -4.012  -1.218   0.790
   72    HB3  LEU  11           HB1      LEU  11  -2.485  -0.493   1.276
   73    HG   LEU  11           HG       LEU  11  -1.411  -1.209  -0.763
   74   HD11  LEU  11          HD11      LEU  11  -2.805  -2.407  -2.494
   75   HD12  LEU  11          HD12      LEU  11  -3.956  -2.757  -1.212
   76   HD13  LEU  11          HD13      LEU  11  -2.309  -3.382  -1.122
   77   HD21  LEU  11          HD21      LEU  11  -4.186  -0.166  -1.394
   78   HD22  LEU  11          HD22      LEU  11  -2.788  -0.080  -2.465
   79   HD23  LEU  11          HD23      LEU  11  -2.796   0.827  -0.953
   80    H    VAL  12           HN       VAL  12  -0.541  -1.299   2.303
   81    HA   VAL  12           HA       VAL  12   1.550  -1.892   0.571
   82    HB   VAL  12           HB       VAL  12   1.887  -1.707   3.575
   83   HG11  VAL  12          HG11      VAL  12   4.066  -0.931   3.103
   84   HG12  VAL  12          HG12      VAL  12   3.678  -0.588   1.418
   85   HG13  VAL  12          HG13      VAL  12   3.848  -2.256   1.963
   86   HG21  VAL  12          HG21      VAL  12   0.413   0.105   2.821
   87   HG22  VAL  12          HG22      VAL  12   1.534   0.496   1.520
   88   HG23  VAL  12          HG23      VAL  12   2.008   0.753   3.197
   89    H    GLU  13           HN       GLU  13   1.197  -3.571   3.725
   90    HA   GLU  13           HA       GLU  13   3.012  -5.638   3.267
   91    HB2  GLU  13           HB2      GLU  13   0.334  -5.821   4.681
   92    HB3  GLU  13           HB1      GLU  13   1.631  -7.009   4.819
   93    HG2  GLU  13           HG2      GLU  13   3.140  -5.144   5.609
   94    HG3  GLU  13           HG1      GLU  13   1.718  -4.102   5.666
   95    H    ALA  14           HN       ALA  14  -0.155  -5.192   1.874
   96    HA   ALA  14           HA       ALA  14  -0.291  -7.927   0.835
   97    HB1  ALA  14           HB1      ALA  14  -2.473  -7.366   0.755
   98    HB2  ALA  14           HB2      ALA  14  -2.125  -6.243  -0.564
   99    HB3  ALA  14           HB3      ALA  14  -2.088  -5.685   1.102
  100    H    LEU  15           HN       LEU  15   0.106  -4.680  -0.721
  101    HA   LEU  15           HA       LEU  15   0.628  -5.648  -3.301
  102    HB2  LEU  15           HB2      LEU  15   1.772  -3.266  -1.847
  103    HB3  LEU  15           HB1      LEU  15   2.206  -3.623  -3.515
  104    HG   LEU  15           HG       LEU  15  -0.713  -3.482  -2.762
  105   HD11  LEU  15          HD11      LEU  15   0.874  -1.061  -3.656
  106   HD12  LEU  15          HD12      LEU  15   0.538  -1.372  -1.956
  107   HD13  LEU  15          HD13      LEU  15  -0.790  -1.118  -3.083
  108   HD21  LEU  15          HD21      LEU  15   0.076  -4.271  -5.030
  109   HD22  LEU  15          HD22      LEU  15   0.771  -2.674  -5.278
  110   HD23  LEU  15          HD23      LEU  15  -0.970  -2.855  -5.087
  111    H    TYR  16           HN       TYR  16   2.724  -5.531  -0.471
  112    HA   TYR  16           HA       TYR  16   5.217  -6.036  -1.626
  113    HB2  TYR  16           HB2      TYR  16   4.956  -5.666   0.759
  114    HB3  TYR  16           HB1      TYR  16   4.078  -7.183   0.928
  115    HD1  TYR  16           HD2      TYR  16   7.300  -5.955  -0.581
  116    HD2  TYR  16           HD1      TYR  16   5.314  -9.003   1.692
  117    HE1  TYR  16           HE2      TYR  16   9.451  -7.158  -0.317
  118    HE2  TYR  16           HE1      TYR  16   7.465 -10.211   1.960
  119    HH   TYR  16           HH       TYR  16  10.479  -8.915   0.551
  120    H    LEU  17           HN       LEU  17   2.792  -8.552  -0.715
  121    HA   LEU  17           HA       LEU  17   4.382 -10.699  -1.816
  122    HB2  LEU  17           HB2      LEU  17   1.367 -10.578  -1.501
  123    HB3  LEU  17           HB1      LEU  17   2.319 -12.021  -1.776
  124    HG   LEU  17           HG       LEU  17   3.559 -11.491   0.381
  125   HD11  LEU  17          HD11      LEU  17   1.902 -10.097   1.936
  126   HD12  LEU  17          HD12      LEU  17   1.455  -9.349   0.408
  127   HD13  LEU  17          HD13      LEU  17   3.121  -9.291   0.961
  128   HD21  LEU  17          HD21      LEU  17   1.491 -12.234   1.783
  129   HD22  LEU  17          HD22      LEU  17   2.021 -13.285   0.472
  130   HD23  LEU  17          HD23      LEU  17   0.631 -12.229   0.244
  131    H    VAL  18           HN       VAL  18   1.566  -8.911  -3.048
  132    HA   VAL  18           HA       VAL  18   1.295 -10.096  -5.563
  133    HB   VAL  18           HB       VAL  18   1.069  -7.137  -4.961
  134   HG11  VAL  18          HG11      VAL  18   0.959  -7.881  -7.369
  135   HG12  VAL  18          HG12      VAL  18  -0.463  -7.042  -6.772
  136   HG13  VAL  18          HG13      VAL  18  -0.485  -8.793  -6.938
  137   HG21  VAL  18          HG21      VAL  18  -0.999  -9.331  -4.687
  138   HG22  VAL  18          HG22      VAL  18  -1.272  -7.613  -4.404
  139   HG23  VAL  18          HG23      VAL  18  -0.198  -8.521  -3.343
  140    H    CYS  19           HN       CYS  19   3.177  -7.147  -4.891
  141    HA   CYS  19           HA       CYS  19   4.501  -7.263  -7.471
  142    HB2  CYS  19           HB2      CYS  19   5.432  -5.633  -5.116
  143    HB3  CYS  19           HB1      CYS  19   5.515  -5.242  -6.829
  144    H    GLY  20           HN       GLY  20   5.142  -8.503  -4.306
  145    HA2  GLY  20           HA2      GLY  20   6.993  -9.667  -3.431
  146    HA3  GLY  20           HA1      GLY  20   7.129 -10.305  -5.066
  147    H    GLU  21           HN       GLU  21   9.148 -10.024  -5.845
  148    HA   GLU  21           HA       GLU  21  10.929  -7.989  -4.743
  149    HB2  GLU  21           HB2      GLU  21  11.238 -10.001  -6.985
  150    HB3  GLU  21           HB1      GLU  21  12.523  -8.906  -6.473
  151    HG2  GLU  21           HG2      GLU  21  12.330  -9.820  -4.162
  152    HG3  GLU  21           HG1      GLU  21  11.130 -10.973  -4.748
  153    H    ARG  22           HN       ARG  22   8.675  -8.102  -7.316
  154    HA   ARG  22           HA       ARG  22   9.882  -6.451  -9.260
  155    HB2  ARG  22           HB2      ARG  22   6.975  -6.358  -8.395
  156    HB3  ARG  22           HB1      ARG  22   7.623  -5.832  -9.947
  157    HG2  ARG  22           HG2      ARG  22   8.326  -8.122 -10.462
  158    HG3  ARG  22           HG1      ARG  22   7.756  -8.671  -8.887
  159    HD2  ARG  22           HD2      ARG  22   5.970  -9.203 -10.341
  160    HD3  ARG  22           HD1      ARG  22   5.462  -7.687  -9.602
  161    HE   ARG  22           HE       ARG  22   6.802  -6.886 -11.890
  162   HH11  ARG  22          HH21      ARG  22   4.251  -9.072 -11.117
  163   HH12  ARG  22          HH22      ARG  22   3.440  -8.872 -12.634
  164   HH21  ARG  22          HH11      ARG  22   5.757  -6.611 -13.876
  165   HH22  ARG  22          HH12      ARG  22   4.292  -7.478 -14.195
  166    H    GLY  23           HN       GLY  23   8.559  -5.653  -6.111
  167    HA2  GLY  23           HA2      GLY  23   8.849  -3.665  -4.876
  168    HA3  GLY  23           HA1      GLY  23   9.809  -3.020  -6.211
  169    H    PHE  24           HN       PHE  24   7.670  -1.595  -4.787
  170    HA   PHE  24           HA       PHE  24   6.119  -0.811  -7.148
  171    HB2  PHE  24           HB2      PHE  24   3.952  -1.238  -6.190
  172    HB3  PHE  24           HB1      PHE  24   4.878  -2.733  -6.129
  173    HD1  PHE  24           HD1      PHE  24   5.734  -3.612  -4.012
  174    HD2  PHE  24           HD2      PHE  24   3.459   0.029  -4.141
  175    HE1  PHE  24           HE1      PHE  24   5.418  -3.720  -1.557
  176    HE2  PHE  24           HE2      PHE  24   3.137  -0.092  -1.685
  177    HZ   PHE  24           HZ       PHE  24   4.116  -1.962  -0.399
  178    H    PHE  25           HN       PHE  25   4.553   0.970  -6.494
  179    HA   PHE  25           HA       PHE  25   5.820   2.741  -4.432
  180    HB2  PHE  25           HB2      PHE  25   4.981   4.620  -5.871
  181    HB3  PHE  25           HB1      PHE  25   6.182   3.614  -6.682
  182    HD1  PHE  25           HD1      PHE  25   2.531   4.288  -6.378
  183    HD2  PHE  25           HD2      PHE  25   5.625   2.312  -8.612
  184    HE1  PHE  25           HE1      PHE  25   0.897   3.769  -8.176
  185    HE2  PHE  25           HE2      PHE  25   3.996   1.797 -10.409
  186    HZ   PHE  25           HZ       PHE  25   1.635   2.524 -10.192
  187    H    TYR  26           HN       TYR  26   4.430   3.659  -2.928
  188    HA   TYR  26           HA       TYR  26   1.702   2.611  -2.841
  189    HB2  TYR  26           HB2      TYR  26   3.282   3.194  -0.818
  190    HB3  TYR  26           HB1      TYR  26   2.686   4.838  -1.049
  191    HD1  TYR  26           HD1      TYR  26   1.402   1.314  -0.853
  192    HD2  TYR  26           HD2      TYR  26   0.695   5.457   0.053
  193    HE1  TYR  26           HE1      TYR  26  -0.698   0.718   0.323
  194    HE2  TYR  26           HE2      TYR  26  -1.394   4.846   1.235
  195    HH   TYR  26           HH       TYR  26  -2.105   1.942   2.322
  196    H    THR  27           HN       THR  27  -0.123   4.318  -2.451
  197    HA   THR  27           HA       THR  27  -0.284   5.915  -4.816
  198    HB   THR  27           HB       THR  27  -2.272   5.041  -3.665
  199    HG1  THR  27           HG1      THR  27  -1.964   7.315  -4.769
  200   HG21  THR  27          HG21      THR  27  -1.510   5.343  -1.351
  201   HG22  THR  27          HG22      THR  27  -3.060   6.129  -1.595
  202   HG23  THR  27          HG23      THR  27  -1.586   7.090  -1.534
  203    H    ASP  28           HN       ASP  28  -0.927   8.362  -4.569
  204    HA   ASP  28           HA       ASP  28   1.308   9.846  -4.058
  205    HB2  ASP  28           HB2      ASP  28  -1.413  10.390  -4.649
  206    HB3  ASP  28           HB1      ASP  28  -1.003  11.454  -3.308
  207    HA   PRO  29           HA       PRO  29   1.707   9.957   0.413
  208    HB2  PRO  29           HB2      PRO  29   3.265  12.230   0.678
  209    HB3  PRO  29           HB1      PRO  29   3.898  10.669   0.134
  210    HG2  PRO  29           HG2      PRO  29   3.298  13.117  -1.468
  211    HG3  PRO  29           HG1      PRO  29   4.497  11.852  -1.766
  212    HD2  PRO  29           HD2      PRO  29   2.019  12.081  -3.089
  213    HD3  PRO  29           HD1      PRO  29   3.049  10.632  -3.045
  214    H    THR  30           HN       THR  30   0.043  12.327  -1.368
  215    HA   THR  30           HA       THR  30  -0.366  14.434   0.428
  216    HB   THR  30           HB       THR  30  -2.401  14.911  -0.793
  217    HG1  THR  30           HG1      THR  30  -2.164  12.342  -1.947
  218   HG21  THR  30          HG21      THR  30  -0.248  15.230  -1.968
  219   HG22  THR  30          HG22      THR  30  -1.533  14.788  -3.092
  220   HG23  THR  30          HG23      THR  30  -0.349  13.583  -2.588
  221    H    GLY  31           HN       GLY  31  -2.108  11.325   0.342
  222    HA2  GLY  31           HA2      GLY  31  -3.358  10.296   2.053
  223    HA3  GLY  31           HA1      GLY  31  -2.649  11.461   3.165
  224    H    GLY  32           HN       GLY  32  -3.811  13.591   1.155
  225    HA2  GLY  32           HA2      GLY  32  -6.446  13.761   2.537
  226    HA3  GLY  32           HA1      GLY  32  -5.635  15.089   1.705
  227    H    GLY  33           HN       GLY  33  -5.036  13.003  -0.475
  228    HA2  GLY  33           HA2      GLY  33  -7.518  12.199  -1.647
  229    HA3  GLY  33           HA1      GLY  33  -7.007  13.738  -2.347
  230    HA   PRO  34           HA       PRO  34  -3.304  10.895  -3.359
  231    HB2  PRO  34           HB2      PRO  34  -3.408   8.298  -2.368
  232    HB3  PRO  34           HB1      PRO  34  -2.583   9.632  -1.560
  233    HG2  PRO  34           HG2      PRO  34  -5.215   8.374  -0.931
  234    HG3  PRO  34           HG1      PRO  34  -4.053   9.145   0.163
  235    HD2  PRO  34           HD2      PRO  34  -6.411  10.349  -0.722
  236    HD3  PRO  34           HD1      PRO  34  -4.986  11.226  -0.123
  237    H    ARG  35           HN       ARG  35  -3.098   8.566  -4.580
  238    HA   ARG  35           HA       ARG  35  -5.069   8.546  -6.639
  239    HB2  ARG  35           HB2      ARG  35  -2.638   7.533  -6.562
  240    HB3  ARG  35           HB1      ARG  35  -3.444   6.092  -5.948
  241    HG2  ARG  35           HG2      ARG  35  -4.949   6.136  -7.944
  242    HG3  ARG  35           HG1      ARG  35  -4.015   7.493  -8.576
  243    HD2  ARG  35           HD2      ARG  35  -1.950   6.016  -8.360
  244    HD3  ARG  35           HD1      ARG  35  -3.047   4.668  -8.057
  245    HE   ARG  35           HE       ARG  35  -4.001   5.801 -10.406
  246   HH11  ARG  35          HH21      ARG  35  -0.984   4.610  -9.232
  247   HH12  ARG  35          HH22      ARG  35  -0.425   4.106 -10.792
  248   HH21  ARG  35          HH11      ARG  35  -3.286   5.151 -12.450
  249   HH22  ARG  35          HH12      ARG  35  -1.727   4.412 -12.613
  250    H    ARG  36           HN       ARG  36  -7.144   8.407  -5.569
  251    HA   ARG  36           HA       ARG  36  -7.848   6.430  -3.650
  252    HB2  ARG  36           HB2      ARG  36  -9.976   7.168  -5.615
  253    HB3  ARG  36           HB1      ARG  36  -9.993   7.247  -3.857
  254    HG2  ARG  36           HG2      ARG  36  -9.964   9.506  -4.362
  255    HG3  ARG  36           HG1      ARG  36  -8.240   9.202  -4.235
  256    HD2  ARG  36           HD2      ARG  36  -9.881   9.799  -6.651
  257    HD3  ARG  36           HD1      ARG  36  -8.210  10.234  -6.299
  258    HE   ARG  36           HE       ARG  36  -8.134   7.481  -6.672
  259   HH11  ARG  36          HH21      ARG  36  -9.296  10.224  -8.405
  260   HH12  ARG  36          HH22      ARG  36  -9.020   9.522  -9.965
  261   HH21  ARG  36          HH11      ARG  36  -7.764   6.548  -8.697
  262   HH22  ARG  36          HH12      ARG  36  -8.152   7.441 -10.130
  263    H    GLY  37           HN       GLY  37  -7.122   6.223  -6.943
  264    HA2  GLY  37           HA2      GLY  37  -8.672   4.045  -7.840
  265    HA3  GLY  37           HA1      GLY  37  -7.051   4.407  -8.423
  266    H    ILE  38           HN       ILE  38  -5.885   4.041  -5.651
  267    HA   ILE  38           HA       ILE  38  -5.871   1.064  -5.746
  268    HB   ILE  38           HB       ILE  38  -3.764   2.808  -5.790
  269   HG12  ILE  38          HG12      ILE  38  -3.328   0.602  -6.424
  270   HG13  ILE  38          HG11      ILE  38  -2.359   0.772  -4.979
  271   HG21  ILE  38          HG21      ILE  38  -4.046   3.549  -3.483
  272   HG22  ILE  38          HG22      ILE  38  -2.547   2.651  -3.660
  273   HG23  ILE  38          HG23      ILE  38  -3.939   1.890  -2.904
  274   HD11  ILE  38          HD11      ILE  38  -3.370  -1.204  -4.439
  275   HD12  ILE  38          HD12      ILE  38  -4.767  -0.910  -5.464
  276   HD13  ILE  38          HD13      ILE  38  -4.660  -0.157  -3.874
  277    H    VAL  39           HN       VAL  39  -5.789   3.615  -3.208
  278    HA   VAL  39           HA       VAL  39  -6.322   1.800  -1.089
  279    HB   VAL  39           HB       VAL  39  -7.190   4.690  -1.051
  280   HG11  VAL  39          HG11      VAL  39  -7.689   3.195   0.892
  281   HG12  VAL  39          HG12      VAL  39  -6.593   4.513   1.305
  282   HG13  VAL  39          HG13      VAL  39  -5.961   2.886   1.055
  283   HG21  VAL  39          HG21      VAL  39  -5.019   4.933  -1.914
  284   HG22  VAL  39          HG22      VAL  39  -4.409   3.506  -1.074
  285   HG23  VAL  39          HG23      VAL  39  -4.731   4.991  -0.178
  286    H    GLU  40           HN       GLU  40  -8.694   4.170  -2.407
  287    HA   GLU  40           HA       GLU  40 -10.923   3.058  -1.093
  288    HB2  GLU  40           HB2      GLU  40 -10.713   4.496  -3.743
  289    HB3  GLU  40           HB1      GLU  40 -12.260   4.031  -3.039
  290    HG2  GLU  40           HG2      GLU  40 -11.542   5.280  -0.934
  291    HG3  GLU  40           HG1      GLU  40 -10.200   5.923  -1.881
  292    H    GLN  41           HN       GLN  41  -9.705   2.261  -4.360
  293    HA   GLN  41           HA       GLN  41 -11.630   0.432  -5.167
  294    HB2  GLN  41           HB2      GLN  41  -9.525   1.132  -6.413
  295    HB3  GLN  41           HB1      GLN  41  -8.666  -0.108  -5.495
  296    HG2  GLN  41           HG2      GLN  41  -9.326  -1.177  -7.520
  297    HG3  GLN  41           HG1      GLN  41 -10.483  -1.732  -6.313
  298   HE21  GLN  41          HE21      GLN  41 -12.370  -1.957  -7.513
  299   HE22  GLN  41          HE22      GLN  41 -13.066  -0.713  -8.423
  300    H    CYS  42           HN       CYS  42  -8.669  -0.506  -3.369
  301    HA   CYS  42           HA       CYS  42  -9.864  -3.114  -2.755
  302    HB2  CYS  42           HB2      CYS  42  -7.251  -1.914  -1.811
  303    HB3  CYS  42           HB1      CYS  42  -7.726  -3.609  -1.714
  304    H    CYS  43           HN       CYS  43  -9.480  -0.050  -1.092
  305    HA   CYS  43           HA       CYS  43 -10.022  -1.254   1.538
  306    HB2  CYS  43           HB2      CYS  43  -8.578   0.784   1.319
  307    HB3  CYS  43           HB1      CYS  43  -9.995   1.680   0.766
  308    H    HIS  44           HN       HIS  44 -11.725   1.003  -0.649
  309    HA   HIS  44           HA       HIS  44 -14.173   0.942   0.859
  310    HB2  HIS  44           HB2      HIS  44 -13.436   2.659  -0.914
  311    HB3  HIS  44           HB1      HIS  44 -13.982   1.487  -2.109
  312    HD2  HIS  44           HD2      HIS  44 -15.501   4.450  -0.705
  313    HE1  HIS  44           HE1      HIS  44 -18.702   1.700  -0.582
  314    HE2  HIS  44           HE2      HIS  44 -18.072   4.159  -0.437
  315    H    SER  45           HN       SER  45 -12.801  -1.105  -1.639
  316    HA   SER  45           HA       SER  45 -15.142  -2.951  -1.329
  317    HB2  SER  45           HB2      SER  45 -15.591  -1.906  -3.429
  318    HB3  SER  45           HB1      SER  45 -13.902  -1.994  -3.915
  319    HG   SER  45           HG       SER  45 -14.713  -3.732  -4.875
  320    H    ILE  46           HN       ILE  46 -14.530  -5.143  -2.369
  321    HA   ILE  46           HA       ILE  46 -11.861  -5.888  -1.325
  322    HB   ILE  46           HB       ILE  46 -13.816  -7.867  -2.502
  323   HG12  ILE  46          HG12      ILE  46 -15.153  -6.303  -1.012
  324   HG13  ILE  46          HG11      ILE  46 -15.123  -7.979  -0.486
  325   HG21  ILE  46          HG21      ILE  46 -11.857  -7.891  -0.190
  326   HG22  ILE  46          HG22      ILE  46 -11.738  -8.770  -1.714
  327   HG23  ILE  46          HG23      ILE  46 -12.981  -9.201  -0.542
  328   HD11  ILE  46          HD11      ILE  46 -13.526  -7.528   1.226
  329   HD12  ILE  46          HD12      ILE  46 -14.729  -6.245   1.340
  330   HD13  ILE  46          HD13      ILE  46 -13.174  -5.929   0.576
  331    H    CYS  47           HN       CYS  47 -10.358  -5.332  -2.919
  332    HA   CYS  47           HA       CYS  47 -10.918  -6.060  -5.740
  333    HB2  CYS  47           HB2      CYS  47  -9.065  -4.716  -6.316
  334    HB3  CYS  47           HB1      CYS  47  -9.794  -3.861  -4.963
  335    H    SER  48           HN       SER  48  -9.537  -7.495  -6.924
  336    HA   SER  48           HA       SER  48  -8.437  -9.670  -5.272
  337    HB2  SER  48           HB2      SER  48  -7.930 -10.584  -7.687
  338    HB3  SER  48           HB1      SER  48  -9.592 -10.528  -7.117
  339    HG   SER  48           HG       SER  48  -8.610  -8.229  -8.322
  340    H    LEU  49           HN       LEU  49  -6.237 -10.544  -5.892
  341    HA   LEU  49           HA       LEU  49  -4.212  -8.600  -5.516
  342    HB2  LEU  49           HB2      LEU  49  -3.841 -11.276  -6.886
  343    HB3  LEU  49           HB1      LEU  49  -2.634 -10.368  -5.982
  344    HG   LEU  49           HG       LEU  49  -5.066 -11.813  -4.909
  345   HD11  LEU  49          HD11      LEU  49  -2.895 -13.046  -5.195
  346   HD12  LEU  49          HD12      LEU  49  -3.421 -12.945  -3.514
  347   HD13  LEU  49          HD13      LEU  49  -2.141 -11.884  -4.103
  348   HD21  LEU  49          HD21      LEU  49  -5.131  -9.756  -3.699
  349   HD22  LEU  49          HD22      LEU  49  -3.373  -9.677  -3.624
  350   HD23  LEU  49          HD23      LEU  49  -4.243 -10.873  -2.664
  351    H    TYR  50           HN       TYR  50  -5.646  -9.967  -8.387
  352    HA   TYR  50           HA       TYR  50  -3.973  -9.272 -10.441
  353    HB2  TYR  50           HB2      TYR  50  -6.413 -10.244 -10.352
  354    HB3  TYR  50           HB1      TYR  50  -6.903  -8.565 -10.586
  355    HD1  TYR  50           HD2      TYR  50  -4.980 -11.354 -11.947
  356    HD2  TYR  50           HD1      TYR  50  -6.582  -7.464 -12.672
  357    HE1  TYR  50           HE2      TYR  50  -4.466 -11.613 -14.373
  358    HE2  TYR  50           HE1      TYR  50  -6.079  -7.691 -15.100
  359    HH   TYR  50           HH       TYR  50  -4.070 -10.164 -16.326
  360    H    GLN  51           HN       GLN  51  -6.474  -7.151  -9.101
  361    HA   GLN  51           HA       GLN  51  -5.682  -4.809 -10.525
  362    HB2  GLN  51           HB2      GLN  51  -6.876  -4.720  -7.749
  363    HB3  GLN  51           HB1      GLN  51  -7.139  -3.627  -9.106
  364    HG2  GLN  51           HG2      GLN  51  -8.151  -5.589 -10.366
  365    HG3  GLN  51           HG1      GLN  51  -8.125  -6.470  -8.841
  366   HE21  GLN  51          HE21      GLN  51  -9.014  -3.107  -9.762
  367   HE22  GLN  51          HE22      GLN  51 -10.518  -3.132  -8.980
  368    H    LEU  52           HN       LEU  52  -4.737  -6.039  -7.329
  369    HA   LEU  52           HA       LEU  52  -3.064  -3.833  -6.659
  370    HB2  LEU  52           HB2      LEU  52  -2.853  -6.741  -5.874
  371    HB3  LEU  52           HB1      LEU  52  -1.942  -5.436  -5.120
  372    HG   LEU  52           HG       LEU  52  -4.967  -5.680  -5.183
  373   HD11  LEU  52          HD11      LEU  52  -3.016  -5.839  -2.877
  374   HD12  LEU  52          HD12      LEU  52  -3.740  -7.237  -3.678
  375   HD13  LEU  52          HD13      LEU  52  -4.760  -6.090  -2.814
  376   HD21  LEU  52          HD21      LEU  52  -4.710  -3.378  -5.056
  377   HD22  LEU  52          HD22      LEU  52  -3.096  -3.496  -4.369
  378   HD23  LEU  52          HD23      LEU  52  -4.509  -3.761  -3.346
  379    H    GLU  53           HN       GLU  53  -2.643  -6.666  -8.622
  380    HA   GLU  53           HA       GLU  53   0.201  -6.410  -8.963
  381    HB2  GLU  53           HB2      GLU  53  -1.790  -8.273  -9.660
  382    HB3  GLU  53           HB1      GLU  53  -1.226  -7.671 -11.216
  383    HG2  GLU  53           HG2      GLU  53   1.177  -8.106 -10.129
  384    HG3  GLU  53           HG1      GLU  53   0.265  -9.217  -9.108
  385    H    ASN  54           HN       ASN  54  -2.399  -4.582  -9.957
  386    HA   ASN  54           HA       ASN  54  -1.428  -3.732 -12.556
  387    HB2  ASN  54           HB2      ASN  54  -3.848  -3.641 -11.540
  388    HB3  ASN  54           HB1      ASN  54  -3.315  -2.117 -10.831
  389   HD21  ASN  54          HD21      ASN  54  -5.359  -2.454 -12.939
  390   HD22  ASN  54          HD22      ASN  54  -4.797  -1.605 -14.295
  391    H    TYR  55           HN       TYR  55  -0.936  -2.733  -9.239
  392    HA   TYR  55           HA       TYR  55   0.532  -0.290 -10.132
  393    HB2  TYR  55           HB2      TYR  55  -0.058  -1.116  -7.287
  394    HB3  TYR  55           HB1      TYR  55   0.306   0.492  -7.902
  395    HD1  TYR  55           HD2      TYR  55  -2.205  -2.174  -7.787
  396    HD2  TYR  55           HD1      TYR  55  -1.379   1.848  -8.946
  397    HE1  TYR  55           HE2      TYR  55  -4.642  -1.802  -8.164
  398    HE2  TYR  55           HE1      TYR  55  -3.799   2.241  -9.337
  399    HH   TYR  55           HH       TYR  55  -6.016  -0.141  -9.680
  400    H    CYS  56           HN       CYS  56   1.282  -3.456  -9.757
  401    HA   CYS  56           HA       CYS  56   3.671  -3.168  -8.084
  402    HB2  CYS  56           HB2      CYS  56   2.673  -5.401  -9.870
  403    HB3  CYS  56           HB1      CYS  56   4.169  -5.490  -8.951
  404    H    ASN  57           HN       ASN  57   5.356  -2.000  -8.888
  405    HA   ASN  57           HA       ASN  57   6.911  -1.142 -10.430
  406    HB2  ASN  57           HB2      ASN  57   7.735  -3.439 -10.308
  407    HB3  ASN  57           HB1      ASN  57   6.549  -3.952 -11.506
  408   HD21  ASN  57          HD21      ASN  57   8.638  -1.032 -11.466
  409   HD22  ASN  57          HD22      ASN  57   9.397  -1.367 -12.947
  Start of MODEL   20
    1    H1   PHE   1           HT1      PHE   1  -5.900 -11.641   3.437
    2    H2   PHE   1           HT2      PHE   1  -5.115 -12.994   2.772
    3    H3   PHE   1           HT3      PHE   1  -6.795 -12.812   2.598
    4    HA   PHE   1           HA       PHE   1  -5.886 -10.518   1.538
    5    HB2  PHE   1           HB2      PHE   1  -3.594 -11.724   1.801
    6    HB3  PHE   1           HB1      PHE   1  -4.090 -12.695   0.428
    7    HD1  PHE   1           HD2      PHE   1  -5.659  -9.853  -0.524
    8    HD2  PHE   1           HD1      PHE   1  -1.685 -11.202   0.308
    9    HE1  PHE   1           HE2      PHE   1  -4.758  -8.116  -1.985
   10    HE2  PHE   1           HE1      PHE   1  -0.780  -9.455  -1.159
   11    HZ   PHE   1           HZ       PHE   1  -2.304  -7.903  -2.308
   12    H    VAL   2           HN       VAL   2  -7.920 -12.722   1.668
   13    HA   VAL   2           HA       VAL   2  -8.148 -13.554  -1.178
   14    HB   VAL   2           HB       VAL   2 -10.192 -14.820  -0.073
   15   HG11  VAL   2          HG11      VAL   2  -8.568 -16.597   0.733
   16   HG12  VAL   2          HG12      VAL   2  -7.270 -15.456   0.384
   17   HG13  VAL   2          HG13      VAL   2  -8.306 -16.037  -0.919
   18   HG21  VAL   2          HG21      VAL   2 -10.112 -15.102   2.265
   19   HG22  VAL   2          HG22      VAL   2  -9.763 -13.384   2.081
   20   HG23  VAL   2          HG23      VAL   2  -8.451 -14.521   2.377
   21    H    ASN   3           HN       ASN   3 -10.950 -13.081   0.847
   22    HA   ASN   3           HA       ASN   3 -11.982 -11.076  -1.107
   23    HB2  ASN   3           HB2      ASN   3 -13.576 -12.626   0.943
   24    HB3  ASN   3           HB1      ASN   3 -14.185 -11.759  -0.464
   25   HD21  ASN   3          HD21      ASN   3 -14.538 -13.028  -2.275
   26   HD22  ASN   3          HD22      ASN   3 -13.825 -14.541  -2.565
   27    H    GLN   4           HN       GLN   4 -10.195 -10.522   1.247
   28    HA   GLN   4           HA       GLN   4 -12.001  -8.930   2.991
   29    HB2  GLN   4           HB2      GLN   4  -9.598  -8.483   4.086
   30    HB3  GLN   4           HB1      GLN   4 -10.485  -9.972   4.389
   31    HG2  GLN   4           HG2      GLN   4  -9.232 -11.128   2.635
   32    HG3  GLN   4           HG1      GLN   4  -8.391  -9.632   2.223
   33   HE21  GLN   4          HE21      GLN   4  -8.003 -12.462   3.930
   34   HE22  GLN   4          HE22      GLN   4  -6.863 -11.944   5.073
   35    H    HIS   5           HN       HIS   5 -11.502  -6.686   3.399
   36    HA   HIS   5           HA       HIS   5 -10.694  -5.275   0.934
   37    HB2  HIS   5           HB2      HIS   5 -11.663  -3.316   2.021
   38    HB3  HIS   5           HB1      HIS   5 -12.788  -4.664   2.136
   39    HD2  HIS   5           HD2      HIS   5 -12.122  -2.064   4.474
   40    HE1  HIS   5           HE1      HIS   5 -11.578  -5.460   6.926
   41    HE2  HIS   5           HE2      HIS   5 -11.950  -2.945   6.913
   42    H    LEU   6           HN       LEU   6  -8.809  -4.154   0.743
   43    HA   LEU   6           HA       LEU   6  -6.901  -4.204   3.019
   44    HB2  LEU   6           HB2      LEU   6  -6.700  -3.827   0.046
   45    HB3  LEU   6           HB1      LEU   6  -5.468  -3.092   1.043
   46    HG   LEU   6           HG       LEU   6  -4.584  -5.130   1.732
   47   HD11  LEU   6          HD11      LEU   6  -5.991  -7.323   1.331
   48   HD12  LEU   6          HD12      LEU   6  -7.351  -6.211   1.400
   49   HD13  LEU   6          HD13      LEU   6  -6.251  -6.347   2.770
   50   HD21  LEU   6          HD21      LEU   6  -4.605  -6.661  -0.243
   51   HD22  LEU   6          HD22      LEU   6  -4.228  -5.004  -0.658
   52   HD23  LEU   6          HD23      LEU   6  -5.834  -5.663  -0.977
   53    H    CYS   7           HN       CYS   7  -6.642  -2.428   4.268
   54    HA   CYS   7           HA       CYS   7  -7.140   0.267   3.090
   55    HB2  CYS   7           HB2      CYS   7  -8.321  -0.714   5.710
   56    HB3  CYS   7           HB1      CYS   7  -8.444   0.929   5.077
   57    H    GLY   8           HN       GLY   8  -5.450   1.549   3.565
   58    HA2  GLY   8           HA2      GLY   8  -3.651   2.490   4.760
   59    HA3  GLY   8           HA1      GLY   8  -4.214   1.616   6.184
   60    H    SER   9           HN       SER   9  -2.075   0.969   6.747
   61    HA   SER   9           HA       SER   9  -0.070  -0.149   5.200
   62    HB2  SER   9           HB2      SER   9  -0.997  -1.068   7.936
   63    HB3  SER   9           HB1      SER   9   0.542  -1.511   7.204
   64    HG   SER   9           HG       SER   9   1.004   0.273   8.356
   65    H    ASP  10           HN       ASP  10  -3.134  -1.667   6.069
   66    HA   ASP  10           HA       ASP  10  -2.596  -4.367   5.593
   67    HB2  ASP  10           HB2      ASP  10  -4.992  -2.650   4.932
   68    HB3  ASP  10           HB1      ASP  10  -4.979  -4.374   4.565
   69    H    LEU  11           HN       LEU  11  -3.439  -1.888   3.164
   70    HA   LEU  11           HA       LEU  11  -3.215  -3.526   0.885
   71    HB2  LEU  11           HB2      LEU  11  -4.104  -1.267   0.684
   72    HB3  LEU  11           HB1      LEU  11  -2.582  -0.579   1.236
   73    HG   LEU  11           HG       LEU  11  -1.446  -1.306  -0.770
   74   HD11  LEU  11          HD11      LEU  11  -2.393  -3.443  -1.201
   75   HD12  LEU  11          HD12      LEU  11  -2.818  -2.432  -2.569
   76   HD13  LEU  11          HD13      LEU  11  -4.018  -2.771  -1.330
   77   HD21  LEU  11          HD21      LEU  11  -2.684   0.775  -1.036
   78   HD22  LEU  11          HD22      LEU  11  -4.159  -0.118  -1.407
   79   HD23  LEU  11          HD23      LEU  11  -2.799  -0.158  -2.527
   80    H    VAL  12           HN       VAL  12  -0.700  -1.426   2.320
   81    HA   VAL  12           HA       VAL  12   1.450  -2.041   0.673
   82    HB   VAL  12           HB       VAL  12   1.666  -1.911   3.692
   83   HG11  VAL  12          HG11      VAL  12   3.680  -2.483   2.154
   84   HG12  VAL  12          HG12      VAL  12   3.881  -1.181   3.322
   85   HG13  VAL  12          HG13      VAL  12   3.572  -0.802   1.630
   86   HG21  VAL  12          HG21      VAL  12   1.846   0.544   3.380
   87   HG22  VAL  12          HG22      VAL  12   0.265  -0.053   2.882
   88   HG23  VAL  12          HG23      VAL  12   1.479   0.343   1.669
   89    H    GLU  13           HN       GLU  13   0.932  -3.759   3.779
   90    HA   GLU  13           HA       GLU  13   2.716  -5.861   3.365
   91    HB2  GLU  13           HB2      GLU  13  -0.034  -6.107   4.624
   92    HB3  GLU  13           HB1      GLU  13   1.334  -7.188   4.892
   93    HG2  GLU  13           HG2      GLU  13   2.636  -5.309   5.828
   94    HG3  GLU  13           HG1      GLU  13   1.261  -4.233   5.573
   95    H    ALA  14           HN       ALA  14  -0.400  -5.338   1.869
   96    HA   ALA  14           HA       ALA  14  -0.541  -8.047   0.774
   97    HB1  ALA  14           HB1      ALA  14  -2.277  -6.305  -0.678
   98    HB2  ALA  14           HB2      ALA  14  -2.303  -5.771   0.997
   99    HB3  ALA  14           HB3      ALA  14  -2.706  -7.439   0.607
  100    H    LEU  15           HN       LEU  15  -0.021  -4.789  -0.719
  101    HA   LEU  15           HA       LEU  15   0.599  -5.737  -3.285
  102    HB2  LEU  15           HB2      LEU  15   1.717  -3.388  -1.758
  103    HB3  LEU  15           HB1      LEU  15   2.209  -3.734  -3.412
  104    HG   LEU  15           HG       LEU  15  -0.734  -3.560  -2.770
  105   HD11  LEU  15          HD11      LEU  15   0.893  -1.141  -3.591
  106   HD12  LEU  15          HD12      LEU  15   0.537  -1.473  -1.900
  107   HD13  LEU  15          HD13      LEU  15  -0.777  -1.197  -3.037
  108   HD21  LEU  15          HD21      LEU  15   0.120  -4.336  -5.014
  109   HD22  LEU  15          HD22      LEU  15   0.861  -2.754  -5.219
  110   HD23  LEU  15          HD23      LEU  15  -0.890  -2.896  -5.097
  111    H    TYR  16           HN       TYR  16   2.576  -5.691  -0.368
  112    HA   TYR  16           HA       TYR  16   5.107  -6.228  -1.425
  113    HB2  TYR  16           HB2      TYR  16   4.757  -5.889   0.955
  114    HB3  TYR  16           HB1      TYR  16   3.843  -7.390   1.062
  115    HD1  TYR  16           HD2      TYR  16   7.148  -6.211  -0.298
  116    HD2  TYR  16           HD1      TYR  16   5.010  -9.248   1.848
  117    HE1  TYR  16           HE2      TYR  16   9.261  -7.463   0.033
  118    HE2  TYR  16           HE1      TYR  16   7.123 -10.504   2.184
  119    HH   TYR  16           HH       TYR  16  10.233  -9.192   1.052
  120    H    LEU  17           HN       LEU  17   2.572  -8.689  -0.691
  121    HA   LEU  17           HA       LEU  17   4.175 -10.860  -1.741
  122    HB2  LEU  17           HB2      LEU  17   1.153 -10.679  -1.543
  123    HB3  LEU  17           HB1      LEU  17   2.082 -12.138  -1.809
  124    HG   LEU  17           HG       LEU  17   3.252 -11.678   0.400
  125   HD11  LEU  17          HD11      LEU  17   1.573 -10.267   1.918
  126   HD12  LEU  17          HD12      LEU  17   1.208  -9.479   0.388
  127   HD13  LEU  17          HD13      LEU  17   2.852  -9.481   1.005
  128   HD21  LEU  17          HD21      LEU  17   1.111 -12.387   1.713
  129   HD22  LEU  17          HD22      LEU  17   1.672 -13.434   0.410
  130   HD23  LEU  17          HD23      LEU  17   0.316 -12.344   0.140
  131    H    VAL  18           HN       VAL  18   1.441  -9.005  -3.059
  132    HA   VAL  18           HA       VAL  18   1.259 -10.146  -5.601
  133    HB   VAL  18           HB       VAL  18   1.051  -7.192  -4.973
  134   HG11  VAL  18          HG11      VAL  18  -0.440  -7.084  -6.834
  135   HG12  VAL  18          HG12      VAL  18  -0.414  -8.830  -7.034
  136   HG13  VAL  18          HG13      VAL  18   1.026  -7.878  -7.383
  137   HG21  VAL  18          HG21      VAL  18  -1.069  -9.346  -4.811
  138   HG22  VAL  18          HG22      VAL  18  -1.308  -7.628  -4.495
  139   HG23  VAL  18          HG23      VAL  18  -0.295  -8.590  -3.421
  140    H    CYS  19           HN       CYS  19   3.169  -7.244  -4.796
  141    HA   CYS  19           HA       CYS  19   4.590  -7.336  -7.328
  142    HB2  CYS  19           HB2      CYS  19   5.485  -5.788  -4.901
  143    HB3  CYS  19           HB1      CYS  19   5.631  -5.361  -6.601
  144    H    GLY  20           HN       GLY  20   5.067  -8.647  -4.161
  145    HA2  GLY  20           HA2      GLY  20   6.795  -9.958  -3.264
  146    HA3  GLY  20           HA1      GLY  20   7.079 -10.459  -4.928
  147    H    GLU  21           HN       GLU  21   9.242 -10.273  -5.245
  148    HA   GLU  21           HA       GLU  21  10.840  -8.227  -3.934
  149    HB2  GLU  21           HB2      GLU  21  11.463 -10.225  -6.123
  150    HB3  GLU  21           HB1      GLU  21  12.664  -9.148  -5.409
  151    HG2  GLU  21           HG2      GLU  21  12.026 -10.087  -3.150
  152    HG3  GLU  21           HG1      GLU  21  11.047 -11.284  -3.998
  153    H    ARG  22           HN       ARG  22   8.904  -8.250  -6.729
  154    HA   ARG  22           HA       ARG  22  10.404  -6.646  -8.515
  155    HB2  ARG  22           HB2      ARG  22   7.415  -6.467  -8.031
  156    HB3  ARG  22           HB1      ARG  22   8.274  -6.008  -9.500
  157    HG2  ARG  22           HG2      ARG  22   8.842  -8.284  -9.990
  158    HG3  ARG  22           HG1      ARG  22   8.363  -8.823  -8.391
  159    HD2  ARG  22           HD2      ARG  22   6.204  -9.099  -9.047
  160    HD3  ARG  22           HD1      ARG  22   6.124  -7.474  -9.700
  161    HE   ARG  22           HE       ARG  22   6.283  -9.884 -11.213
  162   HH11  ARG  22          HH21      ARG  22   7.847  -6.810 -11.044
  163   HH12  ARG  22          HH22      ARG  22   8.392  -6.859 -12.686
  164   HH21  ARG  22          HH11      ARG  22   6.981  -9.954 -13.343
  165   HH22  ARG  22          HH12      ARG  22   7.902  -8.636 -13.986
  166    H    GLY  23           HN       GLY  23   8.757  -5.832  -5.534
  167    HA2  GLY  23           HA2      GLY  23   8.938  -3.844  -4.274
  168    HA3  GLY  23           HA1      GLY  23  10.022  -3.202  -5.513
  169    H    PHE  24           HN       PHE  24   7.791  -1.753  -4.308
  170    HA   PHE  24           HA       PHE  24   6.441  -0.977  -6.795
  171    HB2  PHE  24           HB2      PHE  24   4.192  -1.341  -5.971
  172    HB3  PHE  24           HB1      PHE  24   5.079  -2.861  -5.886
  173    HD1  PHE  24           HD1      PHE  24   5.811  -3.788  -3.742
  174    HD2  PHE  24           HD2      PHE  24   3.603  -0.105  -3.933
  175    HE1  PHE  24           HE1      PHE  24   5.368  -3.923  -1.308
  176    HE2  PHE  24           HE2      PHE  24   3.154  -0.257  -1.497
  177    HZ   PHE  24           HZ       PHE  24   4.037  -2.161  -0.191
  178    H    PHE  25           HN       PHE  25   4.848   0.835  -6.274
  179    HA   PHE  25           HA       PHE  25   6.001   2.606  -4.148
  180    HB2  PHE  25           HB2      PHE  25   5.263   4.488  -5.602
  181    HB3  PHE  25           HB1      PHE  25   6.433   3.448  -6.416
  182    HD1  PHE  25           HD1      PHE  25   2.804   4.244  -6.122
  183    HD2  PHE  25           HD2      PHE  25   5.843   2.193  -8.364
  184    HE1  PHE  25           HE1      PHE  25   1.164   3.808  -7.941
  185    HE2  PHE  25           HE2      PHE  25   4.211   1.761 -10.180
  186    HZ   PHE  25           HZ       PHE  25   1.875   2.568  -9.968
  187    H    TYR  26           HN       TYR  26   4.570   3.495  -2.688
  188    HA   TYR  26           HA       TYR  26   1.830   2.465  -2.704
  189    HB2  TYR  26           HB2      TYR  26   3.349   2.990  -0.622
  190    HB3  TYR  26           HB1      TYR  26   2.793   4.649  -0.846
  191    HD1  TYR  26           HD1      TYR  26   1.433   1.149  -0.736
  192    HD2  TYR  26           HD2      TYR  26   0.781   5.292   0.204
  193    HE1  TYR  26           HE1      TYR  26  -0.710   0.576   0.372
  194    HE2  TYR  26           HE2      TYR  26  -1.352   4.707   1.317
  195    HH   TYR  26           HH       TYR  26  -2.702   3.070   1.949
  196    H    THR  27           HN       THR  27   0.015   4.211  -2.348
  197    HA   THR  27           HA       THR  27  -0.032   5.827  -4.704
  198    HB   THR  27           HB       THR  27  -2.092   5.032  -3.666
  199    HG1  THR  27           HG1      THR  27  -1.755   7.839  -3.645
  200   HG21  THR  27          HG21      THR  27  -1.380   5.160  -1.321
  201   HG22  THR  27          HG22      THR  27  -2.884   6.035  -1.553
  202   HG23  THR  27          HG23      THR  27  -1.365   6.918  -1.403
  203    H    ASP  28           HN       ASP  28  -0.613   8.293  -4.460
  204    HA   ASP  28           HA       ASP  28   1.628   9.727  -3.934
  205    HB2  ASP  28           HB2      ASP  28  -1.094  10.342  -4.445
  206    HB3  ASP  28           HB1      ASP  28  -0.621  11.375  -3.102
  207    HA   PRO  29           HA       PRO  29   2.143   9.748   0.524
  208    HB2  PRO  29           HB2      PRO  29   3.761  11.980   0.783
  209    HB3  PRO  29           HB1      PRO  29   4.342  10.412   0.204
  210    HG2  PRO  29           HG2      PRO  29   3.762  12.895  -1.353
  211    HG3  PRO  29           HG1      PRO  29   4.925  11.607  -1.694
  212    HD2  PRO  29           HD2      PRO  29   2.427  11.908  -2.959
  213    HD3  PRO  29           HD1      PRO  29   3.420  10.433  -2.949
  214    H    THR  30           HN       THR  30   0.495  12.186  -1.180
  215    HA   THR  30           HA       THR  30   0.173  14.267   0.668
  216    HB   THR  30           HB       THR  30  -1.878  14.811  -0.501
  217    HG1  THR  30           HG1      THR  30  -2.815  12.755  -0.486
  218   HG21  THR  30          HG21      THR  30  -1.060  14.720  -2.819
  219   HG22  THR  30          HG22      THR  30   0.105  13.476  -2.368
  220   HG23  THR  30          HG23      THR  30   0.260  15.106  -1.714
  221    H    GLY  31           HN       GLY  31  -1.627  11.194   0.544
  222    HA2  GLY  31           HA2      GLY  31  -2.857  10.139   2.251
  223    HA3  GLY  31           HA1      GLY  31  -2.103  11.259   3.380
  224    H    GLY  32           HN       GLY  32  -3.274  13.467   1.459
  225    HA2  GLY  32           HA2      GLY  32  -5.865  13.643   2.918
  226    HA3  GLY  32           HA1      GLY  32  -5.059  14.976   2.088
  227    H    GLY  33           HN       GLY  33  -4.566  12.947  -0.164
  228    HA2  GLY  33           HA2      GLY  33  -7.102  12.202  -1.267
  229    HA3  GLY  33           HA1      GLY  33  -6.589  13.750  -1.949
  230    HA   PRO  34           HA       PRO  34  -2.959  10.872  -3.125
  231    HB2  PRO  34           HB2      PRO  34  -3.115   8.243  -2.217
  232    HB3  PRO  34           HB1      PRO  34  -2.220   9.525  -1.402
  233    HG2  PRO  34           HG2      PRO  34  -4.855   8.317  -0.706
  234    HG3  PRO  34           HG1      PRO  34  -3.645   9.053   0.359
  235    HD2  PRO  34           HD2      PRO  34  -6.016  10.302  -0.438
  236    HD3  PRO  34           HD1      PRO  34  -4.567  11.144   0.152
  237    H    ARG  35           HN       ARG  35  -2.799   8.597  -4.428
  238    HA   ARG  35           HA       ARG  35  -4.722   8.665  -6.513
  239    HB2  ARG  35           HB2      ARG  35  -2.358   7.541  -6.406
  240    HB3  ARG  35           HB1      ARG  35  -3.224   6.139  -5.783
  241    HG2  ARG  35           HG2      ARG  35  -4.652   6.103  -7.767
  242    HG3  ARG  35           HG1      ARG  35  -3.848   7.536  -8.402
  243    HD2  ARG  35           HD2      ARG  35  -1.662   6.053  -8.069
  244    HD3  ARG  35           HD1      ARG  35  -2.807   4.719  -8.181
  245    HE   ARG  35           HE       ARG  35  -1.785   6.200 -10.374
  246   HH11  ARG  35          HH21      ARG  35  -4.835   5.148  -9.134
  247   HH12  ARG  35          HH22      ARG  35  -5.665   5.390 -10.630
  248   HH21  ARG  35          HH11      ARG  35  -2.854   6.491 -12.324
  249   HH22  ARG  35          HH12      ARG  35  -4.546   6.139 -12.435
  250    H    ARG  36           HN       ARG  36  -6.806   8.652  -5.426
  251    HA   ARG  36           HA       ARG  36  -7.658   6.616  -3.631
  252    HB2  ARG  36           HB2      ARG  36  -9.994   7.223  -4.669
  253    HB3  ARG  36           HB1      ARG  36  -9.116   8.452  -3.759
  254    HG2  ARG  36           HG2      ARG  36  -8.419   9.583  -5.697
  255    HG3  ARG  36           HG1      ARG  36  -8.703   8.183  -6.730
  256    HD2  ARG  36           HD2      ARG  36 -10.943   9.612  -5.283
  257    HD3  ARG  36           HD1      ARG  36 -10.426  10.062  -6.907
  258    HE   ARG  36           HE       ARG  36 -10.861   7.332  -7.087
  259   HH11  ARG  36          HH21      ARG  36 -12.636  10.083  -6.005
  260   HH12  ARG  36          HH22      ARG  36 -14.179   9.421  -6.434
  261   HH21  ARG  36          HH11      ARG  36 -12.863   6.454  -7.655
  262   HH22  ARG  36          HH12      ARG  36 -14.307   7.367  -7.368
  263    H    GLY  37           HN       GLY  37  -6.582   6.273  -6.733
  264    HA2  GLY  37           HA2      GLY  37  -8.483   4.341  -7.747
  265    HA3  GLY  37           HA1      GLY  37  -6.876   4.647  -8.400
  266    H    ILE  38           HN       ILE  38  -5.703   4.152  -5.606
  267    HA   ILE  38           HA       ILE  38  -5.726   1.182  -5.851
  268    HB   ILE  38           HB       ILE  38  -3.592   2.885  -5.784
  269   HG12  ILE  38          HG12      ILE  38  -3.149   0.704  -6.477
  270   HG13  ILE  38          HG11      ILE  38  -2.238   0.795  -4.989
  271   HG21  ILE  38          HG21      ILE  38  -3.904   3.566  -3.465
  272   HG22  ILE  38          HG22      ILE  38  -2.422   2.638  -3.633
  273   HG23  ILE  38          HG23      ILE  38  -3.847   1.888  -2.931
  274   HD11  ILE  38          HD11      ILE  38  -3.301  -1.184  -4.576
  275   HD12  ILE  38          HD12      ILE  38  -4.650  -0.821  -5.643
  276   HD13  ILE  38          HD13      ILE  38  -4.596  -0.140  -4.019
  277    H    VAL  39           HN       VAL  39  -5.643   3.624  -3.217
  278    HA   VAL  39           HA       VAL  39  -6.249   1.767  -1.163
  279    HB   VAL  39           HB       VAL  39  -7.102   4.662  -1.084
  280   HG11  VAL  39          HG11      VAL  39  -6.031   2.710   0.977
  281   HG12  VAL  39          HG12      VAL  39  -7.702   3.255   0.832
  282   HG13  VAL  39          HG13      VAL  39  -6.440   4.396   1.295
  283   HG21  VAL  39          HG21      VAL  39  -4.907   4.920  -1.881
  284   HG22  VAL  39          HG22      VAL  39  -4.328   3.464  -1.071
  285   HG23  VAL  39          HG23      VAL  39  -4.661   4.923  -0.137
  286    H    GLU  40           HN       GLU  40  -8.560   4.192  -2.477
  287    HA   GLU  40           HA       GLU  40 -10.834   3.071  -1.251
  288    HB2  GLU  40           HB2      GLU  40 -10.800   4.406  -3.967
  289    HB3  GLU  40           HB1      GLU  40 -12.159   4.306  -2.849
  290    HG2  GLU  40           HG2      GLU  40 -10.631   5.517  -1.159
  291    HG3  GLU  40           HG1      GLU  40  -9.605   5.889  -2.544
  292    H    GLN  41           HN       GLN  41  -9.556   2.369  -4.522
  293    HA   GLN  41           HA       GLN  41 -11.510   0.617  -5.434
  294    HB2  GLN  41           HB2      GLN  41  -9.382   1.299  -6.631
  295    HB3  GLN  41           HB1      GLN  41  -8.547   0.039  -5.721
  296    HG2  GLN  41           HG2      GLN  41  -9.170  -1.003  -7.765
  297    HG3  GLN  41           HG1      GLN  41 -10.374  -1.554  -6.603
  298   HE21  GLN  41          HE21      GLN  41 -12.253  -1.709  -7.811
  299   HE22  GLN  41          HE22      GLN  41 -12.886  -0.457  -8.754
  300    H    CYS  42           HN       CYS  42  -8.621  -0.424  -3.585
  301    HA   CYS  42           HA       CYS  42  -9.863  -3.036  -3.096
  302    HB2  CYS  42           HB2      CYS  42  -7.258  -1.873  -2.085
  303    HB3  CYS  42           HB1      CYS  42  -7.757  -3.559  -1.966
  304    H    CYS  43           HN       CYS  43  -9.482  -0.031  -1.318
  305    HA   CYS  43           HA       CYS  43 -10.125  -1.298   1.258
  306    HB2  CYS  43           HB2      CYS  43  -8.669   0.729   1.156
  307    HB3  CYS  43           HB1      CYS  43 -10.044   1.650   0.538
  308    H    HIS  44           HN       HIS  44 -11.754   1.028  -0.918
  309    HA   HIS  44           HA       HIS  44 -14.255   0.878   0.526
  310    HB2  HIS  44           HB2      HIS  44 -13.516   2.771  -0.997
  311    HB3  HIS  44           HB1      HIS  44 -13.876   1.714  -2.358
  312    HD2  HIS  44           HD2      HIS  44 -15.693   4.423  -0.781
  313    HE1  HIS  44           HE1      HIS  44 -18.725   1.538  -1.340
  314    HE2  HIS  44           HE2      HIS  44 -18.256   3.984  -0.826
  315    H    SER  45           HN       SER  45 -12.770  -0.995  -2.021
  316    HA   SER  45           HA       SER  45 -15.164  -2.793  -2.027
  317    HB2  SER  45           HB2      SER  45 -13.640  -2.207  -4.564
  318    HB3  SER  45           HB1      SER  45 -15.229  -2.941  -4.379
  319    HG   SER  45           HG       SER  45 -14.566  -0.271  -3.665
  320    H    ILE  46           HN       ILE  46 -14.632  -4.999  -2.662
  321    HA   ILE  46           HA       ILE  46 -11.974  -5.790  -1.717
  322    HB   ILE  46           HB       ILE  46 -13.972  -7.698  -2.938
  323   HG12  ILE  46          HG12      ILE  46 -15.293  -6.172  -1.458
  324   HG13  ILE  46          HG11      ILE  46 -15.223  -7.821  -0.854
  325   HG21  ILE  46          HG21      ILE  46 -13.170  -9.109  -1.045
  326   HG22  ILE  46          HG22      ILE  46 -12.040  -7.830  -0.608
  327   HG23  ILE  46          HG23      ILE  46 -11.891  -8.647  -2.165
  328   HD11  ILE  46          HD11      ILE  46 -13.487  -7.224   0.745
  329   HD12  ILE  46          HD12      ILE  46 -14.843  -6.117   0.931
  330   HD13  ILE  46          HD13      ILE  46 -13.394  -5.593   0.082
  331    H    CYS  47           HN       CYS  47 -10.429  -5.257  -3.273
  332    HA   CYS  47           HA       CYS  47 -10.947  -5.939  -6.111
  333    HB2  CYS  47           HB2      CYS  47  -9.013  -4.672  -6.625
  334    HB3  CYS  47           HB1      CYS  47  -9.780  -3.786  -5.311
  335    H    SER  48           HN       SER  48  -9.397  -7.265  -7.307
  336    HA   SER  48           HA       SER  48  -8.474  -9.568  -5.692
  337    HB2  SER  48           HB2      SER  48  -7.887 -10.406  -8.108
  338    HB3  SER  48           HB1      SER  48  -9.575 -10.315  -7.622
  339    HG   SER  48           HG       SER  48  -8.113  -8.721  -9.382
  340    H    LEU  49           HN       LEU  49  -6.265 -10.458  -6.265
  341    HA   LEU  49           HA       LEU  49  -4.227  -8.552  -5.740
  342    HB2  LEU  49           HB2      LEU  49  -3.852 -11.211  -7.142
  343    HB3  LEU  49           HB1      LEU  49  -2.660 -10.342  -6.183
  344    HG   LEU  49           HG       LEU  49  -5.152 -11.762  -5.219
  345   HD11  LEU  49          HD11      LEU  49  -3.586 -12.952  -3.795
  346   HD12  LEU  49          HD12      LEU  49  -2.269 -11.886  -4.283
  347   HD13  LEU  49          HD13      LEU  49  -2.972 -13.008  -5.448
  348   HD21  LEU  49          HD21      LEU  49  -5.235  -9.723  -3.980
  349   HD22  LEU  49          HD22      LEU  49  -3.480  -9.669  -3.838
  350   HD23  LEU  49          HD23      LEU  49  -4.400 -10.868  -2.930
  351    H    TYR  50           HN       TYR  50  -5.573  -9.825  -8.687
  352    HA   TYR  50           HA       TYR  50  -3.797  -9.151 -10.657
  353    HB2  TYR  50           HB2      TYR  50  -6.259 -10.060 -10.691
  354    HB3  TYR  50           HB1      TYR  50  -6.697  -8.366 -10.920
  355    HD1  TYR  50           HD2      TYR  50  -4.760 -11.173 -12.230
  356    HD2  TYR  50           HD1      TYR  50  -6.277  -7.255 -12.978
  357    HE1  TYR  50           HE2      TYR  50  -4.142 -11.410 -14.634
  358    HE2  TYR  50           HE1      TYR  50  -5.670  -7.459 -15.383
  359    HH   TYR  50           HH       TYR  50  -4.343  -8.691 -16.844
  360    H    GLN  51           HN       GLN  51  -6.296  -6.965  -9.401
  361    HA   GLN  51           HA       GLN  51  -5.332  -4.650 -10.779
  362    HB2  GLN  51           HB2      GLN  51  -6.724  -4.559  -8.092
  363    HB3  GLN  51           HB1      GLN  51  -6.781  -3.382  -9.400
  364    HG2  GLN  51           HG2      GLN  51  -7.778  -5.316 -10.830
  365    HG3  GLN  51           HG1      GLN  51  -8.095  -6.091  -9.280
  366   HE21  GLN  51          HE21      GLN  51 -10.039  -4.922 -11.279
  367   HE22  GLN  51          HE22      GLN  51 -10.945  -3.784 -10.405
  368    H    LEU  52           HN       LEU  52  -4.619  -5.935  -7.544
  369    HA   LEU  52           HA       LEU  52  -2.933  -3.786  -6.748
  370    HB2  LEU  52           HB2      LEU  52  -2.828  -6.713  -6.010
  371    HB3  LEU  52           HB1      LEU  52  -1.920  -5.448  -5.191
  372    HG   LEU  52           HG       LEU  52  -4.944  -5.610  -5.393
  373   HD11  LEU  52          HD11      LEU  52  -3.811  -7.221  -3.864
  374   HD12  LEU  52          HD12      LEU  52  -4.858  -6.074  -3.029
  375   HD13  LEU  52          HD13      LEU  52  -3.109  -5.850  -3.001
  376   HD21  LEU  52          HD21      LEU  52  -4.516  -3.734  -3.502
  377   HD22  LEU  52          HD22      LEU  52  -4.640  -3.318  -5.209
  378   HD23  LEU  52          HD23      LEU  52  -3.058  -3.486  -4.463
  379    H    GLU  53           HN       GLU  53  -2.491  -6.552  -8.787
  380    HA   GLU  53           HA       GLU  53   0.379  -6.348  -8.964
  381    HB2  GLU  53           HB2      GLU  53  -1.593  -8.174  -9.788
  382    HB3  GLU  53           HB1      GLU  53  -0.963  -7.547 -11.308
  383    HG2  GLU  53           HG2      GLU  53   1.393  -8.029 -10.106
  384    HG3  GLU  53           HG1      GLU  53   0.416  -9.173  -9.188
  385    H    ASN  54           HN       ASN  54  -2.138  -4.457 -10.054
  386    HA   ASN  54           HA       ASN  54  -1.011  -3.575 -12.581
  387    HB2  ASN  54           HB2      ASN  54  -3.486  -3.461 -11.695
  388    HB3  ASN  54           HB1      ASN  54  -2.967  -1.953 -10.942
  389   HD21  ASN  54          HD21      ASN  54  -4.875  -2.329 -13.218
  390   HD22  ASN  54          HD22      ASN  54  -4.231  -1.436 -14.506
  391    H    TYR  55           HN       TYR  55  -0.702  -2.646  -9.220
  392    HA   TYR  55           HA       TYR  55   0.859  -0.215  -9.977
  393    HB2  TYR  55           HB2      TYR  55   0.098  -1.080  -7.185
  394    HB3  TYR  55           HB1      TYR  55   0.517   0.532  -7.752
  395    HD1  TYR  55           HD2      TYR  55  -2.039  -2.096  -7.812
  396    HD2  TYR  55           HD1      TYR  55  -1.090   1.932  -8.862
  397    HE1  TYR  55           HE2      TYR  55  -4.449  -1.674  -8.299
  398    HE2  TYR  55           HE1      TYR  55  -3.483   2.373  -9.359
  399    HH   TYR  55           HH       TYR  55  -5.980   0.155  -8.492
  400    H    CYS  56           HN       CYS  56   1.536  -3.394  -9.646
  401    HA   CYS  56           HA       CYS  56   3.820  -3.204  -7.822
  402    HB2  CYS  56           HB2      CYS  56   2.862  -5.357  -9.721
  403    HB3  CYS  56           HB1      CYS  56   4.333  -5.508  -8.769
  404    H    ASN  57           HN       ASN  57   5.497  -1.941  -8.515
  405    HA   ASN  57           HA       ASN  57   7.151  -1.057  -9.931
  406    HB2  ASN  57           HB2      ASN  57   7.997  -3.348  -9.758
  407    HB3  ASN  57           HB1      ASN  57   6.925  -3.864 -11.057
  408   HD21  ASN  57          HD21      ASN  57   9.780  -1.862 -10.350
  409   HD22  ASN  57          HD22      ASN  57  10.321  -1.768 -11.956