*HEADER    SIGNALING PROTEIN                       25-JUN-17   5OAY              
*TITLE     M. TUBERCULOSIS [4FE-4S] PROTEIN WHIB1 IS A FOUR-HELIX BUNDLE THAT    
*TITLE    2 FORMS A NO-SENSITIVE COMPLEX WITH SIGMAA AND REGULATES THE MAJOR     
*TITLE    3 VIRULENCE FACTOR ESX-1                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TRANSCRIPTIONAL REGULATOR WHIB1;                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 OTHER_DETAILS: THE SEQUENCE PROVIDED BEGINS 9 RESIDUES BEFORE THE    
*COMPND   6 START OF THE FOLDED PROTEIN                                          
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS (STRAIN ATCC 25618 / 
*SOURCE   3 H37RV);                                                              
*SOURCE   4 ORGANISM_TAXID: 83332;                                               
*SOURCE   5 GENE: WHIB1, RV3219;                                                 
*SOURCE   6 EXPRESSION_SYSTEM: MYCOBACTERIUM SMEGMATIS;                          
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 1772                                        
*KEYWDS    NITRIC OXIDE, SIGMAA, IRON-SULFUR, TUBERCULOSIS, WBL PROTEIN,         
*KEYWDS   2 SIGNALING PROTEIN                                                    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    M.P.WILLIAMSON,J.GREEN,A.M.HOUNSLOW                                   
*REVDAT   1   03-JAN-18 5OAY    0                                                
# Restraints file 1: hbond.tbl
!
! Hydrogen bonds for helix 21 to 32
!
assign (resid  21  and name O    )(resid  25  and name N    )   2.9 0.2 0.2
assign (resid  22  and name O    )(resid  26  and name N    )   2.9 0.2 0.2
assign (resid  23  and name O    )(resid  27  and name N    )   2.9 0.2 0.2
assign (resid  24  and name O    )(resid  28  and name N    )   2.9 0.2 0.2
assign (resid  25  and name O    )(resid  29  and name N    )   2.9 0.2 0.2
assign (resid  26  and name O    )(resid  30  and name N    )   2.9 0.2 0.2
assign (resid  27  and name O    )(resid  31  and name N    )   2.9 0.2 0.2
assign (resid  28  and name O    )(resid  32  and name N    )   2.9 0.2 0.2
!
! Hydrogen bonds for helix 45 to 58
!
assign (resid  45  and name O    )(resid  49  and name N    )   2.9 0.2 0.2
assign (resid  46  and name O    )(resid  50  and name N    )   2.9 0.2 0.2
assign (resid  47  and name O    )(resid  51  and name N    )   2.9 0.2 0.2
assign (resid  48  and name O    )(resid  52  and name N    )   2.9 0.2 0.2
assign (resid  49  and name O    )(resid  53  and name N    )   2.9 0.2 0.2
assign (resid  50  and name O    )(resid  54  and name N    )   2.9 0.2 0.2
assign (resid  51  and name O    )(resid  55  and name N    )   2.9 0.2 0.2
assign (resid  52  and name O    )(resid  56  and name N    )   2.9 0.2 0.2
assign (resid  53  and name O    )(resid  57  and name N    )   2.9 0.2 0.2
assign (resid  54  and name O    )(resid  58  and name N    )   2.9 0.2 0.2
!
! Hydrogen bonds for helix 63 to 73
!
assign (resid  63  and name O    )(resid  67  and name N    )   2.9 0.2 0.2
assign (resid  64  and name O    )(resid  68  and name N    )   2.9 0.2 0.2
assign (resid  65  and name O    )(resid  69  and name N    )   2.9 0.2 0.2
assign (resid  66  and name O    )(resid  70  and name N    )   2.9 0.2 0.2
assign (resid  67  and name O    )(resid  71  and name N    )   2.9 0.2 0.2
assign (resid  68  and name O    )(resid  72  and name N    )   2.9 0.2 0.2
assign (resid  69  and name O    )(resid  73  and name N    )   2.9 0.2 0.2
!
! Hydrogen bonds for helix 84 to 96
!
assign (resid  84  and name O    )(resid  88  and name N    )   2.9 0.2 0.2
assign (resid  85  and name O    )(resid  89  and name N    )   2.9 0.2 0.2
assign (resid  86  and name O    )(resid  90  and name N    )   2.9 0.2 0.2
assign (resid  87  and name O    )(resid  91  and name N    )   2.9 0.2 0.2
assign (resid  88  and name O    )(resid  92  and name N    )   2.9 0.2 0.2
assign (resid  89  and name O    )(resid  93  and name N    )   2.9 0.2 0.2
assign (resid  90  and name O    )(resid  94  and name N    )   2.9 0.2 0.2
assign (resid  91  and name O    )(resid  95  and name N    )   2.9 0.2 0.2
assign (resid  92  and name O    )(resid  96  and name N    )   2.9 0.2 0.2

# Restraints file 2: dihedral.tbl
!phi restraints
!phi angle 21
assign (resid   20  and name C)  (resid   21  and name N)
       (resid   21  and name CA) (resid   21  and name C)  1.0  -79.9 15.8 2
!phi angle 22
assign (resid   21  and name C)  (resid   22  and name N)
       (resid   22  and name CA) (resid   22  and name C)  1.0  -65.5  7.3 2
!phi angle 23
assign (resid   22  and name C)  (resid   23  and name N)
       (resid   23  and name CA) (resid   23  and name C)  1.0  -66.7  5.3 2
!phi angle 24
assign (resid   23  and name C)  (resid   24  and name N)
       (resid   24  and name CA) (resid   24  and name C)  1.0  -65.4  5.1 2
!phi angle 25
assign (resid   24  and name C)  (resid   25  and name N)
       (resid   25  and name CA) (resid   25  and name C)  1.0  -69.6  5.9 2
!phi angle 26
assign (resid   25  and name C)  (resid   26  and name N)
       (resid   26  and name CA) (resid   26  and name C)  1.0 -104.2  8.5 2
!phi angle 27
assign (resid   26  and name C)  (resid   27  and name N)
       (resid   27  and name CA) (resid   27  and name C)  1.0  -61.4  6.9 2
!phi angle 28 no restraint
!phi angle 29 no restraint
!phi angle 30
assign (resid   29  and name C)  (resid   30  and name N)
       (resid   30  and name CA) (resid   30  and name C)  1.0  -61.8  7.8 2
!phi angle 31
assign (resid   30  and name C)  (resid   31  and name N)
       (resid   31  and name CA) (resid   31  and name C)  1.0  -94.4 10.1 2
!phi angle 32 warn but OK
assign (resid   31  and name C)  (resid   32  and name N)
       (resid   32  and name CA) (resid   32  and name C)  1.0 -100.0 16.4 2
!phi angle 33
assign (resid   32  and name C)  (resid   33  and name N)
       (resid   33  and name CA) (resid   33  and name C)  1.0  -91.5 20.4 2
!phi angle 34
assign (resid   33  and name C)  (resid   34  and name N)
       (resid   34  and name CA) (resid   34  and name C)  1.0  -58.8  6.0 2
!phi angle 35
assign (resid   34  and name C)  (resid   35  and name N)
       (resid   35  and name CA) (resid   35  and name C)  1.0  -65.2  6.6 2
!phi angle 36
assign (resid   35  and name C)  (resid   36  and name N)
       (resid   36  and name CA) (resid   36  and name C)  1.0  -77.0 12.7 2
!phi angle 37
assign (resid   36  and name C)  (resid   37  and name N)
       (resid   37  and name CA) (resid   37  and name C)  1.0  -96.3  8.4 2
!phi angle 38
assign (resid   37  and name C)  (resid   38  and name N)
       (resid   38  and name CA) (resid   38  and name C)  1.0 -107.3 24.0 2
!phi angle 39
assign (resid   38  and name C)  (resid   39  and name N)
       (resid   39  and name CA) (resid   39  and name C)  1.0  -66.8  7.0 2
!phi angle 40
assign (resid   39  and name C)  (resid   40  and name N)
       (resid   40  and name CA) (resid   40  and name C)  1.0  -82.8 18.6 2
!phi angle 41 not included as warn
!assign (resid   40  and name C)  (resid   41  and name N)
!       (resid   41  and name CA) (resid   41  and name C)  1.0 -120.6 40.4 2
!phi angle 42
assign (resid   41  and name C)  (resid   42  and name N)
       (resid   42  and name CA) (resid   42  and name C)  1.0 -107.0 15.8 2
!phi angle 43
assign (resid   42  and name C)  (resid   43  and name N)
       (resid   43  and name CA) (resid   43  and name C)  1.0 -133.8 33.9 2
!phi angle 44 do not include - warn
!assign (resid   43  and name C)  (resid   44  and name N)
!       (resid   44  and name CA) (resid   44  and name C)  1.0  -57.6  4.5 2
!phi angle 45
assign (resid   44  and name C)  (resid   45  and name N)
       (resid   45  and name CA) (resid   45  and name C)  1.0  -58.6  7.7 2
!phi angle 46
assign (resid   45  and name C)  (resid   46  and name N)
       (resid   46  and name CA) (resid   46  and name C)  1.0  -67.6  3.9 2
!phi angle 47
assign (resid   46  and name C)  (resid   47  and name N)
       (resid   47  and name CA) (resid   47  and name C)  1.0  -68.0  3.6 2
!phi angle 48
assign (resid   47  and name C)  (resid   48  and name N)
       (resid   48  and name CA) (resid   48  and name C)  1.0  -66.3  2.8 2
!phi angle 49
assign (resid   48  and name C)  (resid   49  and name N)
       (resid   49  and name CA) (resid   49  and name C)  1.0  -65.1  3.6 2
!phi angle 50
assign (resid   49  and name C)  (resid   50  and name N)
       (resid   50  and name CA) (resid   50  and name C)  1.0  -64.6  3.6 2
!phi angle 51 
assign (resid   50  and name C)  (resid   51  and name N)
       (resid   51  and name CA) (resid   51  and name C)  1.0  -64.6  2.6 2
!phi angle 52
assign (resid   51  and name C)  (resid   52  and name N)
       (resid   52  and name CA) (resid   52  and name C)  1.0  -66.4  4.5 2
!phi angle 53
assign (resid   52  and name C)  (resid   53  and name N)
       (resid   53  and name CA) (resid   53  and name C)  1.0  -66.0  3.3 2
!phi angle 54
assign (resid   53  and name C)  (resid   54  and name N)
       (resid   54  and name CA) (resid   54  and name C)  1.0  -63.7  4.4 2
!phi angle 55
assign (resid   54  and name C)  (resid   55  and name N)
       (resid   55  and name CA) (resid   55  and name C)  1.0  -67.7  4.4 2
!phi angle 56
assign (resid   55  and name C)  (resid   56  and name N)
       (resid   56  and name CA) (resid   56  and name C)  1.0  -65.8  3.5 2
!phi angle 57
assign (resid   56  and name C)  (resid   57  and name N)
       (resid   57  and name CA) (resid   57  and name C)  1.0  -71.2  8.8 2
!phi angle 58
assign (resid   57  and name C)  (resid   58  and name N)
       (resid   58  and name CA) (resid   58  and name C)  1.0  -71.7  9.1 2
!phi angle 59
assign (resid   58  and name C)  (resid   59  and name N)
       (resid   59  and name CA) (resid   59  and name C)  1.0  -97.5 10.7 2
!phi angle 60
assign (resid   59  and name C)  (resid   60  and name N)
       (resid   60  and name CA) (resid   60  and name C)  1.0  -68.1  7.3 2
!phi angle 61 no restraint 
!phi angle 62 no restraint
!phi angle 63
assign (resid   62  and name C)  (resid   63  and name N)
       (resid   63  and name CA) (resid   63  and name C)  1.0 -116.2 17.4 2
!phi angle 64
assign (resid   63  and name C)  (resid   64  and name N)
       (resid   64  and name CA) (resid   64  and name C)  1.0  -60.5  4.0 2
!phi angle 65
assign (resid   64  and name C)  (resid   65  and name N)
       (resid   65  and name CA) (resid   65  and name C)  1.0  -63.4  4.5 2
!phi angle 66
assign (resid   65  and name C)  (resid   66  and name N)
       (resid   66  and name CA) (resid   66  and name C)  1.0  -65.3  3.9 2
!phi angle 67
assign (resid   66  and name C)  (resid   67  and name N)
       (resid   67  and name CA) (resid   67  and name C)  1.0  -63.2  4.6 2
!phi angle 68
assign (resid   67  and name C)  (resid   68  and name N)
       (resid   68  and name CA) (resid   68  and name C)  1.0  -64.8  3.3 2
!phi angle 69
assign (resid   68  and name C)  (resid   69  and name N)
       (resid   69  and name CA) (resid   69  and name C)  1.0  -64.2  4.2 2
!phi angle 70
assign (resid   69  and name C)  (resid   70  and name N)
       (resid   70  and name CA) (resid   70  and name C)  1.0  -63.6  3.7 2
!phi angle 71 
assign (resid   70  and name C)  (resid   71  and name N)
       (resid   71  and name CA) (resid   71  and name C)  1.0  -65.1  4.3 2
!phi angle 72
assign (resid   71  and name C)  (resid   72  and name N)
       (resid   72  and name CA) (resid   72  and name C)  1.0  -67.2  3.9 2
!phi angle 73
assign (resid   72  and name C)  (resid   73  and name N)
       (resid   73  and name CA) (resid   73  and name C)  1.0  -95.3  8.9 2
!phi angle 74 yes positive
assign (resid   73  and name C)  (resid   74  and name N)
       (resid   74  and name CA) (resid   74  and name C)  1.0   69.5  5.5 2
!phi angle 75
assign (resid   74  and name C)  (resid   75  and name N)
       (resid   75  and name CA) (resid   75  and name C)  1.0 -102.5 11.5 2
!phi angle 76 warn but OK
assign (resid   75  and name C)  (resid   76  and name N)
       (resid   76  and name CA) (resid   76  and name C)  1.0  -69.2  9.1 2
!phi angle 77
assign (resid   76  and name C)  (resid   77  and name N)
       (resid   77  and name CA) (resid   77  and name C)  1.0 -137.1 18.1 2
!phi angle 78
assign (resid   77  and name C)  (resid   78  and name N)
       (resid   78  and name CA) (resid   78  and name C)  1.0 -132.2 34.5 2
!phi angle 79 warn but OK
assign (resid   78  and name C)  (resid   79  and name N)
       (resid   79  and name CA) (resid   79  and name C)  1.0  -76.5 14.6 2
!phi angle 80 warn but OK
assign (resid   79  and name C)  (resid   80  and name N)
       (resid   80  and name CA) (resid   80  and name C)  1.0 -109.5 26.4 2
!phi angle 81  no restraint
!phi angle 82 no restraint
!phi angle 83
assign (resid   82  and name C)  (resid   83  and name N)
       (resid   83  and name CA) (resid   83  and name C)  1.0 -130.9 10.7 2
!phi angle 84 
assign (resid   83  and name C)  (resid   84  and name N)
       (resid   84  and name CA) (resid   84  and name C)  1.0  -73.7  8.5 2
!phi angle 85
assign (resid   84  and name C)  (resid   85  and name N)
       (resid   85  and name CA) (resid   85  and name C)  1.0  -59.1  6.0 2
!phi angle 86 
assign (resid   85  and name C)  (resid   86  and name N)
       (resid   86  and name CA) (resid   86  and name C)  1.0  -66.5  3.9 2
!phi angle 87
assign (resid   86  and name C)  (resid   87  and name N)
       (resid   87  and name CA) (resid   87  and name C)  1.0  -67.4  3.5 2
!phi angle 88
assign (resid   87  and name C)  (resid   88  and name N)
       (resid   88  and name CA) (resid   88  and name C)  1.0  -64.0  2.6 2
!phi angle 89 
assign (resid   88  and name C)  (resid   89  and name N)
       (resid   89  and name CA) (resid   89  and name C)  1.0  -64.5  2.7 2
!phi angle 90
assign (resid   89  and name C)  (resid   90  and name N)
       (resid   90  and name CA) (resid   90  and name C)  1.0  -65.2  4.7 2
!phi angle 91 
assign (resid   90  and name C)  (resid   91  and name N)
       (resid   91  and name CA) (resid   91  and name C)  1.0  -68.1  4.7 2
!phi angle 92
assign (resid   91  and name C)  (resid   92  and name N)
       (resid   92  and name CA) (resid   92  and name C)  1.0  -67.5  4.3 2
!phi angle 93
assign (resid   92  and name C)  (resid   93  and name N)
       (resid   93  and name CA) (resid   93  and name C)  1.0  -66.9  4.3 2
!phi angle 94 
assign (resid   93  and name C)  (resid   94  and name N)
       (resid   94  and name CA) (resid   94  and name C)  1.0  -68.4  4.6 2
!phi angle 95
assign (resid   94  and name C)  (resid   95  and name N)
       (resid   95  and name CA) (resid   95  and name C)  1.0  -67.7  4.4 2
!phi angle 96 disordered  from here on
!
!psi restraints 
!psi angle 21 warn but dont worry
assign (resid   21  and name N)  (resid   21  and name CA)
       (resid   21  and name C)  (resid   22  and name N)  1.0  -23.4 19.9 2
!psi angle 22
assign (resid   22  and name N)  (resid   22  and name CA)
       (resid   22  and name C)  (resid   23  and name N)  1.0  -40.3  8.0 2
!psi angle 23
assign (resid   23  and name N)  (resid   23  and name CA)
       (resid   23  and name C)  (resid   24  and name N)  1.0  -37.3  8.0 2
!psi angle 24
assign (resid   24  and name N)  (resid   24  and name CA)
       (resid   24  and name C)  (resid   25  and name N)  1.0  -36.8  6.1 2
!psi angle 25
assign (resid   25  and name N)  (resid   25  and name CA)
       (resid   25  and name C)  (resid   26  and name N)  1.0  -28.4  6.0 2
!psi angle 26
assign (resid   26  and name N)  (resid   26  and name CA)
       (resid   26  and name C)  (resid   27  and name N)  1.0   10.9 13.3 2
!psi angle 27
assign (resid   27  and name N)  (resid   27  and name CA)
       (resid   27  and name C)  (resid   28  and name N)  1.0  -37.7  7.5 2
!psi angle 28 no restraint
!psi angle 29 no restraint
!psi angle 30 
assign (resid   30  and name N)  (resid   30  and name CA)
       (resid   30  and name C)  (resid   31  and name N)  1.0  -32.3  9.1 2
!psi angle 31 
assign (resid   31  and name N)  (resid   31  and name CA)
       (resid   31  and name C)  (resid   32  and name N)  1.0    0.2  8.0 2
!psi angle 32 warn
!psi angle 33
assign (resid   33  and name N)  (resid   33  and name CA)
       (resid   33  and name C)  (resid   34  and name N)  1.0  112.3 11.7 2
!psi angle 34
assign (resid   34  and name N)  (resid   34  and name CA)
       (resid   34  and name C)  (resid   35  and name N)  1.0  -30.7  6.5 2
!psi angle 35
assign (resid   35  and name N)  (resid   35  and name CA)
       (resid   35  and name C)  (resid   36  and name N)  1.0  -24.2  6.7 2
!psi angle 36
assign (resid   36  and name N)  (resid   36  and name CA)
       (resid   36  and name C)  (resid   37  and name N)  1.0  -23.6 11.6 2
!psi angle 37 generous OK
assign (resid   37  and name N)  (resid   37  and name CA)
       (resid   37  and name C)  (resid   38  and name N)  1.0    1.5 11.2 2
!psi angle 38
assign (resid   38  and name N)  (resid   38  and name CA)
       (resid   38  and name C)  (resid   39  and name N)  1.0  118.2 30.2 2
!psi angle 39
assign (resid   39  and name N)  (resid   39  and name CA)
       (resid   39  and name C)  (resid   40  and name N)  1.0  143.1  8.3 2
!psi angle 40 
assign (resid   40  and name N)  (resid   40  and name CA)
       (resid   40  and name C)  (resid   41  and name N)  1.0  139.5 14.2 2
!psi angle 41  warn
!psi angle 42 
assign (resid   42  and name N)  (resid   42  and name CA)
       (resid   42  and name C)  (resid   43  and name N)  1.0    1.3 15.1 2
!psi angle 43
assign (resid   43  and name N)  (resid   43  and name CA)
       (resid   43  and name C)  (resid   44  and name N)  1.0  164.3  7.6 2
!psi angle 44 warn but OK
assign (resid   44  and name N)  (resid   44  and name CA)
       (resid   44  and name C)  (resid   45  and name N)  1.0  -49.4  4.6 2
!psi angle 45
assign (resid   45  and name N)  (resid   45  and name CA)
       (resid   45  and name C)  (resid   46  and name N)  1.0  -37.9  6.6 2
!psi angle 46
assign (resid   46  and name N)  (resid   46  and name CA)
       (resid   46  and name C)  (resid   47  and name N)  1.0  -40.8  5.5 2
!psi angle 47 
assign (resid   47  and name N)  (resid   47  and name CA)
       (resid   47  and name C)  (resid   48  and name N)  1.0  -35.6  6.3 2
!psi angle 48
assign (resid   48  and name N)  (resid   48  and name CA)
       (resid   48  and name C)  (resid   49  and name N)  1.0  -38.0  4.2 2
!psi angle 49
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  5.3 2
!checked as far as here
!psi angle 50
assign (resid   50  and name N)  (resid   50  and name CA)
       (resid   50  and name C)  (resid   51  and name N)  1.0  -44.1  3.1 2
!psi angle 51  
assign (resid   51  and name N)  (resid   51  and name CA)
       (resid   51  and name C)  (resid   52  and name N)  1.0  -38.0  4.7 2
!psi angle 52
assign (resid   52  and name N)  (resid   52  and name CA)
       (resid   52  and name C)  (resid   53  and name N)  1.0  -39.9  5.4 2
!psi angle 53
assign (resid   53  and name N)  (resid   53  and name CA)
       (resid   53  and name C)  (resid   54  and name N)  1.0  -40.2  3.9 2
!psi angle 54 
assign (resid   54  and name N)  (resid   54  and name CA)
       (resid   54  and name C)  (resid   55  and name N)  1.0  -40.3  4.8 2
!psi angle 55
assign (resid   55  and name N)  (resid   55  and name CA)
       (resid   55  and name C)  (resid   56  and name N)  1.0  -37.9  5.7 2
!psi angle 56
assign (resid   56  and name N)  (resid   56  and name CA)
       (resid   56  and name C)  (resid   57  and name N)  1.0  -39.6  6.6 2
!psi angle 57
assign (resid   57  and name N)  (resid   57  and name CA)
       (resid   57  and name C)  (resid   58  and name N)  1.0  -24.1 10.3 2
!psi angle 58
assign (resid   58  and name N)  (resid   58  and name CA)
       (resid   58  and name C)  (resid   59  and name N)  1.0  -20.6  9.6 2
!psi angle 59
assign (resid   59  and name N)  (resid   59  and name CA)
       (resid   59  and name C)  (resid   60  and name N)  1.0    3.7  8.9 2
!psi angle 60
assign (resid   60  and name N)  (resid   60  and name CA)
       (resid   60  and name C)  (resid   61  and name N)  1.0  139.6 12.5 2
!psi angle 61 no restraint 
!psi angle 62 no restraint
!psi angle 63
assign (resid   63  and name N)  (resid   63  and name CA)
       (resid   63  and name C)  (resid   64  and name N)  1.0  157.4 12.1 2
!psi angle 64 
assign (resid   64  and name N)  (resid   64  and name CA)
       (resid   64  and name C)  (resid   65  and name N)  1.0  -33.3  4.7 2
!psi angle 65
assign (resid   65  and name N)  (resid   65  and name CA)
       (resid   65  and name C)  (resid   66  and name N)  1.0  -41.6  4.6 2
!psi angle 66
assign (resid   66  and name N)  (resid   66  and name CA)
       (resid   66  and name C)  (resid   67  and name N)  1.0  -41.7  3.1 2
!psi angle 67
assign (resid   67  and name N)  (resid   67  and name CA)
       (resid   67  and name C)  (resid   68  and name N)  1.0  -42.1  4.9 2
!psi angle 68
assign (resid   68  and name N)  (resid   68  and name CA)
       (resid   68  and name C)  (resid   69  and name N)  1.0  -39.3  4.3 2
!psi angle 69
assign (resid   69  and name N)  (resid   69  and name CA)
       (resid   69  and name C)  (resid   70  and name N)  1.0  -44.2  2.6 2
!psi angle 70
assign (resid   70  and name N)  (resid   70  and name CA)
       (resid   70  and name C)  (resid   71  and name N)  1.0  -43.0  4.7 2
!psi angle 71 
assign (resid   71  and name N)  (resid   71  and name CA)
       (resid   71  and name C)  (resid   72  and name N)  1.0  -37.9  4.5 2
!psi angle 72
assign (resid   72  and name N)  (resid   72  and name CA)
       (resid   72  and name C)  (resid   73  and name N)  1.0  -28.9  5.7 2
!psi angle 73
assign (resid   73  and name N)  (resid   73  and name CA)
       (resid   73  and name C)  (resid   74  and name N)  1.0    3.6  5.7 2
!psi angle 74
assign (resid   74  and name N)  (resid   74  and name CA)
       (resid   74  and name C)  (resid   75  and name N)  1.0   30.8  5.5 2
!psi angle 75
assign (resid   75  and name N)  (resid   75  and name CA)
       (resid   75  and name C)  (resid   76  and name N)  1.0  144.1 13.5 2
!psi angle 76 warn
!psi angle 77
assign (resid   77  and name N)  (resid   77  and name CA)
       (resid   77  and name C)  (resid   78  and name N)  1.0  160.1 12.9 2
!psi angle 78 generous
!psi angle 79 warn
!psi angle 80 warn
!psi angle 81 no restraint
!psi angle 82 no restraint
!psi angle 83
assign (resid   83  and name N)  (resid   83  and name CA)
       (resid   83  and name C)  (resid   84  and name N)  1.0  152.1 13.9 2
!psi angle 84
assign (resid   84  and name N)  (resid   84  and name CA)
       (resid   84  and name C)  (resid   85  and name N)  1.0  159.5  5.3 2
!psi angle 85
assign (resid   85  and name N)  (resid   85  and name CA)
       (resid   85  and name C)  (resid   86  and name N)  1.0  -37.0  4.8 2
!psi angle 86
assign (resid   86  and name N)  (resid   86  and name CA)
       (resid   86  and name C)  (resid   87  and name N)  1.0  -39.9  5.9 2
!psi angle 87
assign (resid   87  and name N)  (resid   87  and name CA)
       (resid   87  and name C)  (resid   88  and name N)  1.0  -41.7  2.9 2
!psi angle 88
assign (resid   88  and name N)  (resid   88  and name CA)
       (resid   88  and name C)  (resid   89  and name N)  1.0  -39.8  4.2 2
!psi angle 89
assign (resid   89  and name N)  (resid   89  and name CA)
       (resid   89  and name C)  (resid   90  and name N)  1.0  -41.9  3.4 2
!psi angle 90
assign (resid   90  and name N)  (resid   90  and name CA)
       (resid   90  and name C)  (resid   91  and name N)  1.0  -37.9  4.5 2
!psi angle 91
assign (resid   91  and name N)  (resid   91  and name CA)
       (resid   91  and name C)  (resid   92  and name N)  1.0  -41.5  4.7 2
!psi angle 92
assign (resid   92  and name N)  (resid   92  and name CA)
       (resid   92  and name C)  (resid   93  and name N)  1.0  -37.9  6.5 2
!psi angle 93
assign (resid   93  and name N)  (resid   93  and name CA)
       (resid   93  and name C)  (resid   94  and name N)  1.0  -39.3  5.1 2
!psi angle 94
assign (resid   94  and name N)  (resid   94  and name CA)
       (resid   94  and name C)  (resid   95  and name N)  1.0  -35.5  7.5 2
!psi angle 95
assign (resid   95  and name N)  (resid   95  and name CA)
       (resid   95  and name C)  (resid   96  and name N)  1.0  -32.2  8.7 2
!
!chi1 angles
!chi1 angle 21
assign (resid  21  and name N)   (resid   21  and name CA) 
       (resid  21  and name CB)  (resid   21  and name CG) 1.0  -66.4  8.8 2
!chi1 angle 25
assign (resid  25  and name N)   (resid   25  and name CA) 
       (resid  25  and name CB)  (resid   25  and name CG) 1.0  -67.8  9.1 2
!chi1 angle 26
assign (resid  26  and name N)   (resid   26  and name CA) 
       (resid  26  and name CB)  (resid   26  and name CG) 1.0  -65.4  8.8 2
!chi1 angle 31
assign (resid  31  and name N)   (resid   31  and name CA) 
       (resid  31  and name CB)  (resid   31  and name CG) 1.0  -66.4  7.6 2
!chi1 angle 35
assign (resid  35  and name N)   (resid   35  and name CA) 
       (resid  35  and name CB)  (resid   35  and name CG) 1.0  -61.2 13.0 2
!chi1 angle 37
assign (resid  37  and name N)   (resid   37  and name CA) 
       (resid  37  and name CB)  (resid   37  and name CG) 1.0  -60.0  8.8 2
!chi1 angle 38
assign (resid  38  and name N)   (resid   38  and name CA) 
       (resid  38  and name CB)  (resid   38  and name CG) 1.0  -59.8 12.2 2
!chi1 angle 40
assign (resid  40  and name N)   (resid   40  and name CA) 
       (resid  40  and name CB)  (resid   40  and name CG1) 1.0 -176.1  6.5 2
!chi1 angle 42
assign (resid  42  and name N)   (resid   42  and name CA) 
       (resid  42  and name CB)  (resid   42  and name CG) 1.0  -59.8 10.3 2
!chi1 angle 43
assign (resid  43  and name N)   (resid   43  and name CA) 
       (resid  43  and name CB)  (resid   43  and name OG) 1.0   70.2  9.0 2
!chi1 angle 47
assign (resid  47  and name N)   (resid   47  and name CA) 
       (resid  47  and name CB)  (resid   47  and name CG) 1.0  -68.2  4.9 2
!chi1 angle 50
assign (resid  50  and name N)   (resid   50  and name CA) 
       (resid  50  and name CB)  (resid   50  and name CG1) 1.0  -69.2  6.3 2
!chi1 angle 52
assign (resid  52  and name N)   (resid   52  and name CA) 
       (resid  52  and name CB)  (resid   52  and name CG) 1.0  -73.2  7.1 2
!chi1 angle 55
assign (resid  55  and name N)   (resid   55  and name CA) 
       (resid  55  and name CB)  (resid   55  and name CG) 1.0  -71.0  8.2 2
!chi1 angle 56
assign (resid  56  and name N)   (resid   56  and name CA) 
       (resid  56  and name CB)  (resid   56  and name CG1) 1.0  175.2  7.0 2
!Cys57 restraint removed because of possible paramagnetic problems on shifts
!chi1 angle 58
assign (resid  58  and name N)   (resid   58  and name CA) 
       (resid  58  and name CB)  (resid   58  and name CG) 1.0  -66.7  5.5 2
!chi1 angle 59
assign (resid  59  and name N)   (resid   59  and name CA) 
       (resid  59  and name CB)  (resid   59  and name CG) 1.0  -63.1  9.6 2
!Cys60 restraint removed because of possible paramagnetic problems on shifts
!chi1 angle 63
assign (resid  63  and name N)   (resid   63  and name CA) 
       (resid  63  and name CB)  (resid   63  and name OG1) 1.0   65.7  5.0 2
!Cys66 restraint removed because of possible paramagnetic problems on shifts
!chi1 angle 67
assign (resid  67  and name N)   (resid   67  and name CA) 
       (resid  67  and name CB)  (resid   67  and name CG) 1.0  -70.8  6.4 2
!chi1 angle 71
assign (resid  71  and name N)   (resid   71  and name CA) 
       (resid  71  and name CB)  (resid   71  and name CG) 1.0  -67.9  4.8 2
!chi1 angle 72
assign (resid  72  and name N)   (resid   72  and name CA) 
       (resid  72  and name CB)  (resid   72  and name CG) 1.0  -67.5  8.9 2
!chi1 angle 73
assign (resid  73  and name N)   (resid   73  and name CA) 
       (resid  73  and name CB)  (resid   73  and name OG1) 1.0   64.3  4.6 2
!chi1 angle 75
assign (resid  75  and name N)   (resid   75  and name CA) 
       (resid  75  and name CB)  (resid   75  and name CG) 1.0  -62.5  9.0 2
!chi1 angle 76
assign (resid  76  and name N)   (resid   76  and name CA) 
       (resid  76  and name CB)  (resid   76  and name CG) 1.0  -65.5  8.8 2
!chi1 angle 79
assign (resid  79  and name N)   (resid   79  and name CA) 
       (resid  79  and name CB)  (resid   79  and name CG1) 1.0 -175.2 12.4 2
!chi1 angle 84
assign (resid  84  and name N)   (resid   84  and name CA) 
       (resid  84  and name CB)  (resid   84  and name OG) 1.0   70.0  6.7 2
!chi1 angle 86
assign (resid  86  and name N)   (resid   86  and name CA) 
       (resid  86  and name CB)  (resid   86  and name CG) 1.0  -70.5  7.3 2
!chi1 angle 95
assign (resid  95  and name N)   (resid   95  and name CA) 
       (resid  95  and name CB)  (resid   95  and name CG) 1.0  -72.4  7.7 2
!
! restraint on chirality around the cluster to get it same as model
!
!assign (resid 29 and name SG) (resid 57 and name SG)
!       (resid 60 and name SG) (resid 66 and names SG) 1.0 80.0 10.0 2
# Restraints file 3: cluster_noe2.tbl
!list revised 5 May 2017 with complete NOE list
!
! short distances to centre of cluster
! the three numbers are d, dminus and dplus eg 4.5 to 7 A
!
assign (resid  98  and name ZN   )(resid  28  and name N    )   6.0 2.0 0.5
assign (resid  98  and name ZN   )(resid  29  and name N    )   6.0 2.0 0.5
assign (resid  98  and name ZN   )(resid  29  and name CA   )   6.0 2.0 0.5
assign (resid  98  and name ZN   )(resid  29  and name CB   )   6.0 2.0 0.5
assign (resid  98  and name ZN   )(resid  57  and name N    )   6.0 2.0 0.5
assign (resid  98  and name ZN   )(resid  57  and name CB   )   6.0 2.0 0.5
assign (resid  98  and name ZN   )(resid  62  and name N    )   6.0 2.0 0.5
assign (resid  98  and name ZN   )(resid  63  and name N    )   6.0 2.0 0.5
assign (resid  98  and name ZN   )(resid  65  and name CB   )   6.0 2.0 0.5
assign (resid  98  and name ZN   )(resid  66  and name CA   )   6.0 2.0 0.5
assign (resid  98  and name ZN   )(resid  66  and name CB   )   6.0 2.0 0.5
assign (resid  98  and name ZN   )(resid  81  and name N    )   6.0 2.0 0.5
assign (resid  98  and name ZN   )(resid  82  and name N    )   6.0 2.0 0.5
!
! also add some adjoining residues with short T1 (<50 ms): 27 30 58 60 (v short) 66 83
!
assign (resid  98  and name ZN   )(resid  27 and name N    )   6.5 2.0 0.5
assign (resid  98  and name ZN   )(resid  30 and name N    )   6.5 2.0 0.5
assign (resid  98  and name ZN   )(resid  58 and name N    )   6.5 2.0 0.5
assign (resid  98  and name ZN   )(resid  60 and name N    )   6.5 2.0 0.5
assign (resid  98  and name ZN   )(resid  66 and name N    )   6.5 2.0 0.5
assign (resid  98  and name ZN   )(resid  83 and name N    )   6.5 2.0 0.5
!
! and some min distances for signals we can see
!
assign (resid  98  and name ZN   )(resid  28  and name CG*  )   6.5 0.5 5.0
assign (resid  98  and name ZN   )(resid  30  and name CB   )   6.5 0.5 5.0
assign (resid  98  and name ZN   )(resid  30  and name CG   )   6.5 0.5 5.0
assign (resid  98  and name ZN   )(resid  30  and name CD   )   6.5 0.5 5.0
assign (resid  98  and name ZN   )(resid  32  and name CB   )   6.5 0.5 5.0
assign (resid  98  and name ZN   )(resid  32  and name CG   )   6.5 0.5 5.0
assign (resid  98  and name ZN   )(resid  26  and name CB   )   6.5 0.5 5.0
assign (resid  98  and name ZN   )(resid  26  and name CG   )   6.5 0.5 5.0
assign (resid  98  and name ZN   )(resid  26  and name CD   )   6.5 0.5 5.0
assign (resid  98  and name ZN   )(resid  25  and name CB   )   6.5 0.5 5.0
assign (resid  98  and name ZN   )(resid  25  and name CA   )   6.5 0.5 5.0
assign (resid  98  and name ZN   )(resid  26  and name N    )   6.5 0.5 5.0
assign (resid  98  and name ZN   )(resid  63  and name CG2  )   6.5 0.5 5.0
!
!experimental NOEs. Upper bounds are:
! strong (Int >0.3) 3A; medium (Int > 0.1) 4A; weak (Int < 0.1) 5A
!NOEs to methyl groups add on 0.5 A
!
! some genuine long range NOEs
! these not specified which methyl because not stereospecifically assigned
! (unless NOEs to both methyls)
assign (resid 36 and name HD++) (resid 83 and name HB+ ) 4.5 2.7 0.0  
assign (resid 40 and name HN  ) (resid 46 and name HB+ ) 4.5 2.7 0.0 
assign (resid 52 and name HN  ) (resid 36 and name HD1+ ) 4.5  2.7  0.0 
assign (resid 52 and name HN  ) (resid 36 and name HD2+ ) 4.5  2.7  0.0 
assign (resid 53 and name HN  ) (resid 36 and name HD1+ ) 3.5  1.7  0.0 
assign (resid 53 and name HN  ) (resid 36 and name HD2+ ) 3.5  1.7  0.0 
assign (resid 53 and name HA  ) (resid 36 and name HD++ ) 4.5  2.7  0.0 
assign (resid 53 and name HB+ ) (resid 36 and name HD1+ ) 4.0  2.2  0.0  
assign (resid 53 and name HB+ ) (resid 36 and name HD2+ ) 4.0  2.2  0.0 
assign (resid 50 and name HG2+) (resid 33 and name HB+ ) 3.5  1.7  0.0 
assign (resid 50 and name HN  ) (resid 35 and name HB+ ) 3.0 1.2 0.0 
assign (resid 69 and name HE1 ) (resid 73 and name HG2+) 4.5 2.7 0.0 
assign (resid 69 and name HZ2 ) (resid 73 and name HG2+) 4.5 2.7 0.0 
assign (resid 70 and name HA  ) (resid 75 and name HN  ) 3.0 1.2 0.0  
assign (resid 70 and name HB+ ) (resid 75 and name HN  ) 3.5 1.7 0.0 
!assign (resid 77 and name HN  ) (resid 72 and name HB+ ) 4.0 2.2 0.0 
!assign (resid 83 and name HN  ) (resid 36 and name HN  ) 3.0 1.2 0.0 
assign (resid 83 and name HG+ ) (resid 36 and name HD++) 3.5 1.7 0.0

!assign (resid 36 and name HD++) (resid 65 and name HN  ) 4.5 2.7 0.0 no
!assign (resid 50 and name HG2+) (resid 41 and name HA+ ) 3.5 1.7 0.0 no
!assign (resid 50 and name HG2+) (resid 93 and name HG+ ) 3.5 1.7 0.0 no
! more nice long range NOEs 
assign (resid 91 and name HA  ) (resid 55 and name HD++) 5.5 3.7 0.0
assign (resid 91 and name HB+ ) (resid 55 and name HD++) 5.5 3.7 0.0
assign (resid 91 and name HB+ ) (resid 47 and name HD++) 5.5 3.7 0.0
assign (resid 90 and name HA  ) (resid 46 and name HB+ ) 5.0 3.2 0.0
!
!sequential
!N-N
assign (resid 11 and name HN  ) (resid 12 and name HN  ) 3.0 1.2 0.0  
assign (resid 12 and name HN  ) (resid 13 and name HN  ) 3.0 1.2 0.0  
assign (resid 16 and name HN  ) (resid 17 and name HN  ) 3.0 1.2 0.0  
assign (resid 21 and name HN  ) (resid 22 and name HN  ) 4.0 2.2 0.0  
assign (resid 22 and name HN  ) (resid 23 and name HN  ) 4.0 2.2 0.0  
assign (resid 23 and name HN  ) (resid 24 and name HN  ) 3.0 1.2 0.0  
assign (resid 25 and name HN  ) (resid 26 and name HN  ) 3.0 1.2 0.0  
assign (resid 26 and name HN  ) (resid 27 and name HN  ) 3.0 1.2 0.0  
assign (resid 31 and name HN  ) (resid 32 and name HN  ) 3.0 1.2 0.0  
assign (resid 32 and name HN  ) (resid 33 and name HN  ) 4.0 2.2 0.0  
assign (resid 35 and name HN  ) (resid 36 and name HN  ) 3.0 1.2 0.0  
assign (resid 46 and name HN  ) (resid 47 and name HN  ) 3.0 1.2 0.0  
assign (resid 47 and name HN  ) (resid 48 and name HN  ) 3.0 1.2 0.0  
assign (resid 48 and name HN  ) (resid 49 and name HN  ) 3.0 1.2 0.0  
assign (resid 49 and name HN  ) (resid 50 and name HN  ) 3.0 1.2 0.0  
assign (resid 50 and name HN  ) (resid 51 and name HN  ) 3.0 1.2 0.0  
assign (resid 51 and name HN  ) (resid 52 and name HN  ) 3.0 1.2 0.0  
assign (resid 52 and name HN  ) (resid 53 and name HN  ) 3.0 1.2 0.0  
assign (resid 53 and name HN  ) (resid 54 and name HN  ) 3.0 1.2 0.0  
assign (resid 54 and name HN  ) (resid 55 and name HN  ) 3.0 1.2 0.0  
assign (resid 55 and name HN  ) (resid 56 and name HN  ) 3.0 1.2 0.0  
assign (resid 64 and name HN  ) (resid 65 and name HN  ) 3.0 1.2 0.0  
assign (resid 68 and name HN  ) (resid 69 and name HN  ) 3.0 1.2 0.0  
assign (resid 69 and name HN  ) (resid 70 and name HN  ) 3.0 1.2 0.0  
assign (resid 70 and name HN  ) (resid 71 and name HN  ) 3.0 1.2 0.0  
assign (resid 71 and name HN  ) (resid 72 and name HN  ) 3.0 1.2 0.0  
assign (resid 72 and name HN  ) (resid 73 and name HN  ) 3.0 1.2 0.0  
assign (resid 73 and name HN  ) (resid 74 and name HN  ) 3.0 1.2 0.0  
assign (resid 74 and name HN  ) (resid 75 and name HN  ) 3.0 1.2 0.0  
assign (resid 84 and name HN  ) (resid 85 and name HN  ) 4.4 2.2 0.0  
assign (resid 85 and name HN  ) (resid 86 and name HN  ) 3.0 1.2 0.0  
assign (resid 86 and name HN  ) (resid 87 and name HN  ) 3.0 1.2 0.0  
assign (resid 87 and name HN  ) (resid 88 and name HN  ) 3.0 1.2 0.0  
assign (resid 88 and name HN  ) (resid 89 and name HN  ) 3.0 1.2 0.0  
assign (resid 89 and name HN  ) (resid 90 and name HN  ) 3.0 1.2 0.0  
assign (resid 91 and name HN  ) (resid 92 and name HN  ) 3.0 1.2 0.0  
assign (resid 92 and name HN  ) (resid 93 and name HN  ) 3.0 1.2 0.0  
assign (resid 93 and name HN  ) (resid 94 and name HN  ) 4.0 2.2 0.0  
!N-sidechain
assign (resid 11 and name HA  ) (resid 12 and name HN  ) 3.4 1.2 0.0  
assign (resid 12 and name HA+ ) (resid 13 and name HN  ) 3.4 1.2 0.0  
assign (resid 13 and name HA  ) (resid 14 and name HN  ) 3.4 1.2 0.0  
assign (resid 14 and name HA  ) (resid 15 and name HN  ) 3.4 1.2 0.0  
assign (resid 14 and name HB+ ) (resid 15 and name HN  ) 3.0 1.2 0.0  
assign (resid 15 and name HB+ ) (resid 16 and name HN  ) 3.0 1.2 0.0  
assign (resid 15 and name HD+ ) (resid 16 and name HN  ) 4.0 2.2 0.0  
assign (resid 16 and name HA  ) (resid 17 and name HN  ) 3.4 1.2 0.0  
assign (resid 16 and name HB+ ) (resid 17 and name HN  ) 3.0 1.2 0.0  
assign (resid 16 and name HD+ ) (resid 17 and name HN  ) 4.0 2.2 0.0  
assign (resid 20 and name HA  ) (resid 21 and name HN  ) 3.4 1.2 0.0  
assign (resid 20 and name HB+ ) (resid 21 and name HN  ) 4.5 2.7 0.0  
assign (resid 22 and name HB+ ) (resid 23 and name HN  ) 4.0 2.2 0.0  
assign (resid 23 and name HA  ) (resid 24 and name HN  ) 4.0 2.2 0.0  
assign (resid 25 and name HB+ ) (resid 26 and name HN  ) 4.0 2.2 0.0  
assign (resid 30 and name HA  ) (resid 31 and name HN  ) 3.4 1.2 0.0  
assign (resid 31 and name HA  ) (resid 32 and name HN  ) 3.4 1.2 0.0  
assign (resid 32 and name HA  ) (resid 33 and name HN  ) 5.0 3.2 0.0  
assign (resid 32 and name HB+ ) (resid 33 and name HN  ) 3.0 1.2 0.0  
assign (resid 32 and name HG+ ) (resid 33 and name HN  ) 3.0 1.2 0.0  
!assign (resid 35 and name HA  ) (resid 36 and name HN  ) 4.0 2.2 0.0  
assign (resid 35 and name HB+ ) (resid 36 and name HN  ) 3.0 1.2 0.0  
assign (resid 36 and name HB+ ) (resid 37 and name HN  ) 3.5 1.7 0.0  
!assign (resid 36 and name HN  ) (resid 37 and name HD+ ) 4.0 2.2 0.0 check 
assign (resid 37 and name HA  ) (resid 38 and name HN  ) 3.4 1.2 0.0  
assign (resid 39 and name HA  ) (resid 40 and name HN  ) 3.4 1.2 0.0  
assign (resid 40 and name HA  ) (resid 41 and name HN  ) 3.4 1.2 0.0  
assign (resid 40 and name HB  ) (resid 41 and name HN  ) 4.0 2.2 0.0  
assign (resid 40 and name HG++) (resid 41 and name HN  ) 3.5 1.7 0.0  
assign (resid 41 and name HA+ ) (resid 42 and name HN  ) 3.4 1.2 0.0  
assign (resid 43 and name HA  ) (resid 44 and name HN  ) 3.4 1.2 0.0  
assign (resid 45 and name HA  ) (resid 46 and name HN  ) 3.4 1.2 0.0  
assign (resid 45 and name HB+ ) (resid 46 and name HN  ) 3.0 1.2 0.0  
assign (resid 46 and name HB+ ) (resid 47 and name HN  ) 3.5 1.7 0.0  
assign (resid 46 and name HB+ ) (resid 47 and name HD1+) 4.0 2.2 0.0  
assign (resid 46 and name HB+ ) (resid 47 and name HD2+) 4.0 2.2 0.0  
assign (resid 46 and name HA  ) (resid 47 and name HN  ) 3.4 1.2 0.0  
assign (resid 47 and name HA  ) (resid 48 and name HN  ) 3.4 1.2 0.0  
assign (resid 47 and name HB+ ) (resid 48 and name HN  ) 3.0 1.2 0.0  
assign (resid 47 and name HD++) (resid 48 and name HN  ) 4.5 2.7 0.0  
assign (resid 48 and name HA  ) (resid 49 and name HN  ) 3.4 1.2 0.0  
assign (resid 48 and name HB+ ) (resid 49 and name HN  ) 3.5 1.7 0.0  
assign (resid 50 and name HA  ) (resid 51 and name HN  ) 3.4 1.2 0.0  
assign (resid 50 and name HB  ) (resid 51 and name HN  ) 3.4 1.2 0.0  
assign (resid 50 and name HG2+) (resid 51 and name HN  ) 3.5 1.7 0.0  
assign (resid 51 and name HB+ ) (resid 52 and name HN  ) 3.5 1.7 0.0  
assign (resid 52 and name HA  ) (resid 53 and name HN  ) 3.4 1.2 0.0  
assign (resid 52 and name HB+ ) (resid 53 and name HN  ) 3.0 1.2 0.0  
assign (resid 53 and name HA  ) (resid 54 and name HN  ) 4.4 2.2 0.0  
assign (resid 53 and name HB+ ) (resid 54 and name HN  ) 3.5 1.7 0.0  
assign (resid 55 and name HD++) (resid 56 and name HN  ) 3.5 1.7 0.0  
assign (resid 58 and name HB+ ) (resid 59 and name HN  ) 4.0 2.2 0.0  
assign (resid 64 and name HA  ) (resid 65 and name HN  ) 4.0 2.2 0.0  
assign (resid 64 and name HB  ) (resid 65 and name HN  ) 3.0 1.2 0.0  
assign (resid 64 and name HG2+) (resid 65 and name HN  ) 4.5 2.7 0.0  
assign (resid 67 and name HD++) (resid 68 and name HN  ) 3.5 1.7 0.0  
assign (resid 68 and name HA  ) (resid 69 and name HN  ) 3.4 1.2 0.0  
assign (resid 69 and name HA  ) (resid 70 and name HN  ) 4.0 2.2 0.0  
assign (resid 69 and name HB+ ) (resid 70 and name HN  ) 3.0 1.2 0.0  
assign (resid 70 and name HA  ) (resid 71 and name HN  ) 4.0 2.2 0.0  
assign (resid 70 and name HB+ ) (resid 71 and name HN  ) 3.5 1.7 0.0  
assign (resid 71 and name HA  ) (resid 72 and name HN  ) 3.4 1.2 0.0  
assign (resid 71 and name HB+ ) (resid 72 and name HN  ) 3.0 1.2 0.0  
assign (resid 71 and name HD++) (resid 72 and name HN  ) 4.5 2.7 0.0  
assign (resid 72 and name HA  ) (resid 73 and name HN  ) 3.4 1.2 0.0  
assign (resid 72 and name HB+ ) (resid 73 and name HN  ) 3.0 1.2 0.0  
!assign (resid 73 and name HB  ) (resid 74 and name HN  ) 4.0 3.2 0.0  
assign (resid 73 and name HG2+) (resid 74 and name HN  ) 4.0 1.7 0.0  
assign (resid 74 and name HA+ ) (resid 75 and name HN  ) 3.4 1.2 0.0  
assign (resid 76 and name HA  ) (resid 77 and name HN  ) 3.4 1.2 0.0  
assign (resid 77 and name HA  ) (resid 78 and name HN  ) 3.4 1.2 0.0  
assign (resid 78 and name HA+ ) (resid 79 and name HN  ) 3.4 1.2 0.0  
assign (resid 83 and name HA  ) (resid 84 and name HN  ) 3.4 1.2 0.0  
assign (resid 83 and name HG+ ) (resid 84 and name HN  ) 3.0 1.2 0.0  
assign (resid 84 and name HA  ) (resid 85 and name HN  ) 3.4 1.2 0.0  
assign (resid 84 and name HB+ ) (resid 85 and name HN  ) 3.0 1.2 0.0  
assign (resid 85 and name HA  ) (resid 86 and name HN  ) 4.0 2.2 0.0  
assign (resid 86 and name HA  ) (resid 87 and name HN  ) 3.4 1.2 0.0  
assign (resid 86 and name HB+ ) (resid 87 and name HN  ) 3.0 1.2 0.0  
assign (resid 89 and name HB+ ) (resid 90 and name HN  ) 3.0 1.2 0.0  
assign (resid 90 and name HA  ) (resid 91 and name HN  ) 3.4 1.2 0.0  
assign (resid 90 and name HB+ ) (resid 91 and name HN  ) 5.5 3.7 0.0  
assign (resid 92 and name HA  ) (resid 93 and name HN  ) 3.4 1.2 0.0  
assign (resid 95 and name HB+ ) (resid 96 and name HN  ) 4.0 2.2 0.0  
!
!short-range (i to i+2 or i+3)
!
assign (resid 21 and name HN  ) (resid 23 and name HN  ) 4.0 2.2 0.0  
assign (resid 33 and name HN  ) (resid 36 and name HN  ) 4.0 2.2 0.0  
assign (resid 33 and name HB+ ) (resid 35 and name HN  ) 4.0 2.2 0.0  
assign (resid 33 and name HB+ ) (resid 36 and name HN  ) 3.0 1.2 0.0  
assign (resid 36 and name HD++) (resid 33 and name HB+ ) 3.5 1.2 0.0  
assign (resid 36 and name HD++) (resid 33 and name HN  ) 4.5 2.2 0.0  
assign (resid 35 and name HA  ) (resid 38 and name HN  ) 3.0 1.2 0.0  
assign (resid 35 and name HB+ ) (resid 38 and name HN  ) 4.5 2.7 0.0  
assign (resid 36 and name HN  ) (resid 38 and name HN  ) 4.0 2.2 0.0  
assign (resid 36 and name HN  ) (resid 38 and name HD+ ) 5.0 3.2 0.0  
assign (resid 36 and name HD++) (resid 38 and name HN  ) 4.5 2.7 0.0  
assign (resid 43 and name HB+ ) (resid 46 and name HN  ) 3.0 1.2 0.0  
assign (resid 43 and name HN  ) (resid 46 and name HB+ ) 3.5 1.7 0.0 
assign (resid 44 and name HA+ ) (resid 46 and name HN  ) 3.4 1.2 0.0  
assign (resid 45 and name HA  ) (resid 48 and name HN  ) 3.0 1.2 0.0  
!assign (resid 46 and name HB+ ) (resid 49 and name HN  ) 4.5 2.7 0.0  
assign (resid 46 and name HB+ ) (resid 49 and name HB+ ) 3.5 1.7 0.0  
assign (resid 47 and name HD++) (resid 49 and name HN  ) 4.5 2.7 0.0  
assign (resid 47 and name HB+ ) (resid 49 and name HN  ) 4.3 2.2 0.0  
assign (resid 47 and name HA  ) (resid 50 and name HG2+) 3.5 1.7 0.0  
!assign (resid 47 and name HB+ ) (resid 50 and name HN  ) 3.0 1.2 0.0  
assign (resid 47 and name HA  ) (resid 50 and name HD1+) 3.5 1.7 0.0  
!assign (resid 48 and name HA  ) (resid 50 and name HN  ) 3.0 1.2 0.0  
assign (resid 48 and name HA  ) (resid 51 and name HN  ) 3.4 1.2 0.0  
assign (resid 48 and name HA  ) (resid 51 and name HB+ ) 3.5 1.7 0.0  
!assign (resid 48 and name HB+ ) (resid 51 and name HA  ) 3.5 1.7 0.0  
assign (resid 50 and name HA  ) (resid 53 and name HN  ) 3.4 1.2 0.0  
assign (resid 51 and name HA  ) (resid 54 and name HN  ) 3.4 1.2 0.0  
assign (resid 52 and name HA  ) (resid 55 and name HN  ) 3.4 1.2 0.0  
assign (resid 52 and name HA  ) (resid 55 and name HD++) 5.5 3.7 0.0  
assign (resid 55 and name HA  ) (resid 58 and name HB+ ) 5.0 3.2 0.0  
!assign (resid 63 and name HA  ) (resid 65 and name HN  ) 3.0 1.2 0.0  
assign (resid 63 and name HG2+) (resid 65 and name HN  ) 3.8 1.7 0.0  
assign (resid 69 and name HN  ) (resid 71 and name HN  ) 4.0 2.2 0.0  
assign (resid 69 and name HA  ) (resid 72 and name HN  ) 3.4 1.2 0.0  
assign (resid 70 and name HA  ) (resid 73 and name HN  ) 4.0 2.2 0.0  
!assign (resid 75 and name HA  ) (resid 77 and name HN  ) 3.0 1.2 0.0  
!assign (resid 83 and name HG+ ) (resid 85 and name HA  ) 4.0 2.2 0.0  
assign (resid 84 and name HN  ) (resid 87 and name HN  ) 4.0 2.2 0.0  
assign (resid 88 and name HA  ) (resid 91 and name HB+ ) 3.4 1.2 0.0  
!assign (resid 90 and name HB+ ) (resid 92 and name HN  ) 3.5 1.7 0.0  
assign (resid 90 and name HA  ) (resid 93 and name HB+ ) 5.0 3.2 0.0  
!assign (resid 91 and name HB+ ) (resid 94 and name HN  ) 3.0 1.2 0.0  
assign (resid 91 and name HA  ) (resid 94 and name HN  ) 5.0 3.2 0.0  
assign (resid 93 and name HA  ) (resid 96 and name HN  ) 4.0 2.2 0.0  
!
! intraresidue (to aromatic rings)
!
assign (resid 16 and name HD+ ) (resid 16 and name HA  ) 4.0 2.2 0.0  
assign (resid 16 and name HD+ ) (resid 16 and name HB+ ) 4.0 2.2 0.0  
assign (resid 16 and name HD+ ) (resid 16 and name HN  ) 3.0 1.2 0.0  
assign (resid 17 and name HD+ ) (resid 17 and name HN  ) 3.0 1.2 0.0  
assign (resid 17 and name HD+ ) (resid 17 and name HB+ ) 4.0 2.2 0.0  
assign (resid 23 and name HD1 ) (resid 23 and name HN  ) 3.0 1.2 0.0  
assign (resid 23 and name HE1 ) (resid 23 and name HN  ) 4.0 2.2 0.0  
assign (resid 23 and name HD1 ) (resid 23 and name HB+ ) 4.0 2.2 0.0  
assign (resid 38 and name HD+ ) (resid 38 and name HA  ) 4.0 2.2 0.0  
assign (resid 69 and name HD1 ) (resid 69 and name HB+ ) 4.0 2.2 0.0  
 
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           HT1      MET   1  12.185   6.241  15.264
    2    H2   MET   1           HT2      MET   1  10.701   6.024  16.044
    3    H3   MET   1           HT3      MET   1  10.805   7.034  14.692
    4    HA   MET   1           HA       MET   1  11.392   5.146  13.303
    5    HB2  MET   1           HB2      MET   1  10.820   3.565  15.817
    6    HB3  MET   1           HB1      MET   1  11.109   2.876  14.226
    7    HG2  MET   1           HG2      MET   1  13.075   4.486  15.838
    8    HG3  MET   1           HG1      MET   1  13.086   2.736  15.629
    9    HE1  MET   1           HE1      MET   1  16.204   3.888  13.550
   10    HE2  MET   1           HE2      MET   1  15.625   2.841  14.846
   11    HE3  MET   1           HE3      MET   1  15.617   4.592  15.057
   12    H    ASP   2           HN       ASP   2   8.925   5.279  15.849
   13    HA   ASP   2           HA       ASP   2   6.850   4.030  14.467
   14    HB2  ASP   2           HB2      ASP   2   6.766   4.546  16.870
   15    HB3  ASP   2           HB1      ASP   2   6.670   6.265  16.501
   16    H    TRP   3           HN       TRP   3   7.688   7.487  14.642
   17    HA   TRP   3           HA       TRP   3   5.587   8.320  12.924
   18    HB2  TRP   3           HB2      TRP   3   7.270  10.362  12.634
   19    HB3  TRP   3           HB1      TRP   3   6.337  10.132  14.108
   20    HD1  TRP   3           HD1      TRP   3   9.761   8.702  12.933
   21    HE1  TRP   3           HE1      TRP   3  11.435   9.020  14.855
   22    HE3  TRP   3           HE3      TRP   3   6.710  11.052  16.294
   23    HZ2  TRP   3           HZ2      TRP   3  11.471  10.130  17.451
   24    HZ3  TRP   3           HZ3      TRP   3   7.642  11.712  18.473
   25    HH2  TRP   3           HH2      TRP   3   9.974  11.259  19.039
   26    H    ARG   4           HN       ARG   4   8.803   7.111  12.384
   27    HA   ARG   4           HA       ARG   4   9.038   7.952   9.674
   28    HB2  ARG   4           HB2      ARG   4  11.001   7.351  11.016
   29    HB3  ARG   4           HB1      ARG   4  10.418   5.697  11.145
   30    HG2  ARG   4           HG2      ARG   4  12.176   5.872   9.485
   31    HG3  ARG   4           HG1      ARG   4  10.646   5.422   8.731
   32    HD2  ARG   4           HD2      ARG   4  10.300   7.749   8.054
   33    HD3  ARG   4           HD1      ARG   4  11.830   8.196   8.808
   34    HE   ARG   4           HE       ARG   4  12.324   6.154   6.963
   35   HH11  ARG   4          HH11      ARG   4  11.305   9.492   7.001
   36   HH12  ARG   4          HH12      ARG   4  11.966   9.841   5.438
   37   HH21  ARG   4          HH21      ARG   4  13.193   6.612   4.909
   38   HH22  ARG   4          HH22      ARG   4  13.037   8.206   4.250
   39    H    HIS   5           HN       HIS   5   7.914   5.007  11.267
   40    HA   HIS   5           HA       HIS   5   7.521   3.467   8.941
   41    HB2  HIS   5           HB2      HIS   5   6.051   3.335  11.581
   42    HB3  HIS   5           HB1      HIS   5   6.069   2.074  10.352
   43    HD1  HIS   5           HD1      HIS   5   6.986   0.984  12.842
   44    HD2  HIS   5           HD2      HIS   5   9.587   3.177  10.456
   45    HE1  HIS   5           HE1      HIS   5   9.296   0.312  13.572
   46    HE2  HIS   5           HE2      HIS   5  10.853   1.711  12.170
   47    H    LYS   6           HN       LYS   6   5.526   5.836  10.613
   48    HA   LYS   6           HA       LYS   6   3.330   5.338   8.758
   49    HB2  LYS   6           HB2      LYS   6   3.558   7.323  11.035
   50    HB3  LYS   6           HB1      LYS   6   2.105   7.010  10.096
   51    HG2  LYS   6           HG2      LYS   6   2.052   4.718  10.924
   52    HG3  LYS   6           HG1      LYS   6   3.519   5.021  11.858
   53    HD2  LYS   6           HD2      LYS   6   2.389   6.654  13.210
   54    HD3  LYS   6           HD1      LYS   6   0.947   6.558  12.197
   55    HE2  LYS   6           HE2      LYS   6   0.623   5.300  14.247
   56    HE3  LYS   6           HE1      LYS   6   0.653   4.215  12.858
   57    HZ1  LYS   6           HZ1      LYS   6   2.890   4.704  14.746
   58    HZ2  LYS   6           HZ2      LYS   6   2.978   3.715  13.377
   59    HZ3  LYS   6           HZ3      LYS   6   1.947   3.303  14.653
   60    H    ALA   7           HN       ALA   7   6.151   7.007   8.879
   61    HA   ALA   7           HA       ALA   7   5.450   9.445   7.604
   62    HB1  ALA   7           HB1      ALA   7   8.107   8.010   7.462
   63    HB2  ALA   7           HB2      ALA   7   7.626   9.055   8.796
   64    HB3  ALA   7           HB3      ALA   7   7.802   9.721   7.175
   65    H    VAL   8           HN       VAL   8   6.604   6.281   6.592
   66    HA   VAL   8           HA       VAL   8   6.349   6.896   3.810
   67    HB   VAL   8           HB       VAL   8   6.487   4.089   4.879
   68   HG11  VAL   8          HG11      VAL   8   7.710   3.686   2.821
   69   HG12  VAL   8          HG12      VAL   8   7.664   5.405   2.429
   70   HG13  VAL   8          HG13      VAL   8   6.170   4.468   2.462
   71   HG21  VAL   8          HG21      VAL   8   8.970   4.314   4.841
   72   HG22  VAL   8          HG22      VAL   8   8.198   5.252   6.118
   73   HG23  VAL   8          HG23      VAL   8   8.769   6.057   4.657
   74    H    CYS   9           HN       CYS   9   4.279   5.829   6.372
   75    HA   CYS   9           HA       CYS   9   2.250   4.476   5.051
   76    HB2  CYS   9           HB2      CYS   9   2.394   6.167   7.446
   77    HB3  CYS   9           HB1      CYS   9   0.830   6.221   6.671
   78    H    ARG  10           HN       ARG  10   2.081   7.939   5.808
   79    HA   ARG  10           HA       ARG  10   0.190   8.483   3.758
   80    HB2  ARG  10           HB2      ARG  10   1.765  10.196   5.645
   81    HB3  ARG  10           HB1      ARG  10   0.814  10.927   4.360
   82    HG2  ARG  10           HG2      ARG  10  -0.550  10.950   6.272
   83    HG3  ARG  10           HG1      ARG  10  -1.163   9.641   5.260
   84    HD2  ARG  10           HD2      ARG  10  -1.083   8.906   7.551
   85    HD3  ARG  10           HD1      ARG  10   0.134   8.037   6.617
   86    HE   ARG  10           HE       ARG  10   1.546  10.088   7.620
   87   HH11  ARG  10          HH11      ARG  10  -0.630   7.804   9.115
   88   HH12  ARG  10          HH12      ARG  10   0.176   7.850  10.646
   89   HH21  ARG  10          HH21      ARG  10   2.607  10.147   9.633
   90   HH22  ARG  10          HH22      ARG  10   2.013   9.179  10.941
   91    H    ASP  11           HN       ASP  11   3.626   8.415   3.781
   92    HA   ASP  11           HA       ASP  11   3.927  10.191   1.523
   93    HB2  ASP  11           HB2      ASP  11   5.875   8.557   3.121
   94    HB3  ASP  11           HB1      ASP  11   6.355   9.402   1.657
   95    H    GLU  12           HN       GLU  12   2.595   7.306   1.474
   96    HA   GLU  12           HA       GLU  12   4.221   6.019  -0.528
   97    HB2  GLU  12           HB2      GLU  12   2.501   4.293  -0.507
   98    HB3  GLU  12           HB1      GLU  12   2.948   4.713   1.137
   99    HG2  GLU  12           HG2      GLU  12   0.941   6.173   1.248
  100    HG3  GLU  12           HG1      GLU  12   0.469   5.566  -0.336
  101    H    ASP  13           HN       ASP  13   1.528   5.202  -1.882
  102    HA   ASP  13           HA       ASP  13   1.444   7.565  -3.627
  103    HB2  ASP  13           HB2      ASP  13   2.348   5.632  -4.809
  104    HB3  ASP  13           HB1      ASP  13   0.958   4.654  -4.358
  105    HA   PRO  14           HA       PRO  14  -2.743   8.115  -2.162
  106    HB2  PRO  14           HB2      PRO  14  -3.535   9.568  -4.425
  107    HB3  PRO  14           HB1      PRO  14  -2.883  10.252  -2.934
  108    HG2  PRO  14           HG2      PRO  14  -1.510   9.669  -5.512
  109    HG3  PRO  14           HG1      PRO  14  -1.245  10.999  -4.371
  110    HD2  PRO  14           HD2      PRO  14   0.450   8.931  -4.521
  111    HD3  PRO  14           HD1      PRO  14   0.065   9.695  -2.965
  112    H    GLU  15           HN       GLU  15  -1.722   6.883  -5.246
  113    HA   GLU  15           HA       GLU  15  -4.234   5.954  -6.149
  114    HB2  GLU  15           HB2      GLU  15  -1.456   4.951  -6.872
  115    HB3  GLU  15           HB1      GLU  15  -2.936   4.651  -7.772
  116    HG2  GLU  15           HG2      GLU  15  -1.666   7.340  -7.328
  117    HG3  GLU  15           HG1      GLU  15  -1.599   6.389  -8.811
  118    H    LEU  16           HN       LEU  16  -2.019   4.798  -3.774
  119    HA   LEU  16           HA       LEU  16  -2.930   2.069  -3.824
  120    HB2  LEU  16           HB2      LEU  16  -1.473   3.462  -1.571
  121    HB3  LEU  16           HB1      LEU  16  -1.586   1.734  -1.848
  122    HG   LEU  16           HG       LEU  16   0.254   3.702  -3.006
  123   HD11  LEU  16          HD11      LEU  16   0.283   0.722  -2.602
  124   HD12  LEU  16          HD12      LEU  16   1.200   1.945  -1.725
  125   HD13  LEU  16          HD13      LEU  16   1.588   1.594  -3.422
  126   HD21  LEU  16          HD21      LEU  16  -0.859   3.467  -5.027
  127   HD22  LEU  16          HD22      LEU  16  -1.242   1.780  -4.718
  128   HD23  LEU  16          HD23      LEU  16   0.412   2.246  -5.092
  129    H    PHE  17           HN       PHE  17  -3.915   5.018  -2.329
  130    HA   PHE  17           HA       PHE  17  -5.787   3.613  -0.575
  131    HB2  PHE  17           HB2      PHE  17  -5.066   6.545  -0.784
  132    HB3  PHE  17           HB1      PHE  17  -6.258   5.891   0.334
  133    HD1  PHE  17           HD1      PHE  17  -2.903   6.824  -0.066
  134    HD2  PHE  17           HD2      PHE  17  -5.380   3.969   1.889
  135    HE1  PHE  17           HE1      PHE  17  -1.123   6.415   1.583
  136    HE2  PHE  17           HE2      PHE  17  -3.605   3.554   3.542
  137    HZ   PHE  17           HZ       PHE  17  -1.473   4.779   3.390
  138    H    PHE  18           HN       PHE  18  -5.640   4.928  -3.670
  139    HA   PHE  18           HA       PHE  18  -8.575   5.068  -3.780
  140    HB2  PHE  18           HB2      PHE  18  -6.607   6.977  -5.045
  141    HB3  PHE  18           HB1      PHE  18  -8.302   6.886  -5.512
  142    HD1  PHE  18           HD1      PHE  18  -6.203   7.273  -2.453
  143    HD2  PHE  18           HD2      PHE  18  -9.787   8.311  -4.498
  144    HE1  PHE  18           HE1      PHE  18  -6.780   8.834  -0.641
  145    HE2  PHE  18           HE2      PHE  18 -10.371   9.874  -2.690
  146    HZ   PHE  18           HZ       PHE  18  -8.866  10.138  -0.758
  147    HA   PRO  19           HA       PRO  19  -7.915   1.941  -6.896
  148    HB2  PRO  19           HB2      PRO  19 -10.622   2.740  -7.798
  149    HB3  PRO  19           HB1      PRO  19 -10.020   1.151  -7.317
  150    HG2  PRO  19           HG2      PRO  19 -11.650   2.548  -5.728
  151    HG3  PRO  19           HG1      PRO  19 -10.330   1.568  -5.063
  152    HD2  PRO  19           HD2      PRO  19 -10.491   4.530  -5.439
  153    HD3  PRO  19           HD1      PRO  19  -9.783   3.597  -4.104
  154    H    VAL  20           HN       VAL  20  -7.018   2.057  -8.879
  155    HA   VAL  20           HA       VAL  20  -6.685   4.509 -10.214
  156    HB   VAL  20           HB       VAL  20  -6.287   1.712 -11.283
  157   HG11  VAL  20          HG11      VAL  20  -4.719   2.804 -12.863
  158   HG12  VAL  20          HG12      VAL  20  -5.281   4.373 -12.283
  159   HG13  VAL  20          HG13      VAL  20  -6.399   3.284 -13.104
  160   HG21  VAL  20          HG21      VAL  20  -4.353   3.608  -9.962
  161   HG22  VAL  20          HG22      VAL  20  -3.934   2.056 -10.687
  162   HG23  VAL  20          HG23      VAL  20  -4.988   2.114  -9.274
  163    H    GLY  21           HN       GLY  21  -7.415   5.154 -12.291
  164    HA2  GLY  21           HA2      GLY  21 -10.175   4.343 -12.791
  165    HA3  GLY  21           HA1      GLY  21  -9.376   5.765 -13.444
  166    H    ASN  22           HN       ASN  22  -8.379   5.651 -15.408
  167    HA   ASN  22           HA       ASN  22  -8.385   3.024 -16.736
  168    HB2  ASN  22           HB2      ASN  22  -8.992   5.685 -18.036
  169    HB3  ASN  22           HB1      ASN  22  -9.028   4.107 -18.815
  170   HD21  ASN  22          HD21      ASN  22 -10.273   2.746 -16.597
  171   HD22  ASN  22          HD22      ASN  22 -11.917   3.269 -16.554
  172    H    SER  23           HN       SER  23  -6.209   4.798 -15.380
  173    HA   SER  23           HA       SER  23  -4.497   5.209 -17.725
  174    HB2  SER  23           HB2      SER  23  -3.031   6.458 -16.179
  175    HB3  SER  23           HB1      SER  23  -4.676   7.102 -16.190
  176    HG   SER  23           HG       SER  23  -4.438   6.878 -14.099
  177    H    GLY  24           HN       GLY  24  -2.352   4.485 -17.764
  178    HA2  GLY  24           HA2      GLY  24  -1.971   1.903 -16.486
  179    HA3  GLY  24           HA1      GLY  24  -0.986   2.580 -17.775
  180    HA   PRO  25           HA       PRO  25   1.949   4.613 -15.109
  181    HB2  PRO  25           HB2      PRO  25   0.304   7.082 -14.749
  182    HB3  PRO  25           HB1      PRO  25   2.014   6.926 -15.175
  183    HG2  PRO  25           HG2      PRO  25   0.216   7.525 -17.036
  184    HG3  PRO  25           HG1      PRO  25   1.549   6.410 -17.391
  185    HD2  PRO  25           HD2      PRO  25  -1.328   5.825 -16.879
  186    HD3  PRO  25           HD1      PRO  25  -0.191   5.015 -17.974
  187    H    ALA  26           HN       ALA  26  -1.388   4.760 -14.128
  188    HA   ALA  26           HA       ALA  26  -0.994   5.384 -11.407
  189    HB1  ALA  26           HB1      ALA  26  -3.199   5.092 -11.199
  190    HB2  ALA  26           HB2      ALA  26  -3.141   3.462 -11.875
  191    HB3  ALA  26           HB3      ALA  26  -3.206   4.866 -12.952
  192    H    LEU  27           HN       LEU  27  -0.767   2.414 -13.192
  193    HA   LEU  27           HA       LEU  27  -0.565   0.679 -10.941
  194    HB2  LEU  27           HB2      LEU  27   0.387   0.346 -13.781
  195    HB3  LEU  27           HB1      LEU  27   0.337  -0.937 -12.590
  196    HG   LEU  27           HG       LEU  27  -1.600  -1.378 -13.728
  197   HD11  LEU  27          HD11      LEU  27  -2.783   0.730 -11.963
  198   HD12  LEU  27          HD12      LEU  27  -2.022  -0.705 -11.282
  199   HD13  LEU  27          HD13      LEU  27  -3.408  -0.872 -12.360
  200   HD21  LEU  27          HD21      LEU  27  -1.287   0.609 -15.217
  201   HD22  LEU  27          HD22      LEU  27  -2.188   1.558 -14.035
  202   HD23  LEU  27          HD23      LEU  27  -2.965   0.206 -14.859
  203    H    ALA  28           HN       ALA  28   1.732   2.323 -13.031
  204    HA   ALA  28           HA       ALA  28   4.037   1.218 -11.782
  205    HB1  ALA  28           HB1      ALA  28   3.771   3.751 -13.401
  206    HB2  ALA  28           HB2      ALA  28   4.124   2.149 -14.048
  207    HB3  ALA  28           HB3      ALA  28   5.284   2.946 -12.984
  208    H    GLN  29           HN       GLN  29   2.012   3.984 -11.274
  209    HA   GLN  29           HA       GLN  29   3.722   5.333  -9.406
  210    HB2  GLN  29           HB2      GLN  29   1.765   6.316 -10.749
  211    HB3  GLN  29           HB1      GLN  29   0.701   5.556  -9.572
  212    HG2  GLN  29           HG2      GLN  29   0.993   7.831  -8.945
  213    HG3  GLN  29           HG1      GLN  29   1.883   6.841  -7.791
  214   HE21  GLN  29          HE21      GLN  29   3.223   8.534  -7.200
  215   HE22  GLN  29          HE22      GLN  29   4.471   9.129  -8.236
  216    H    ILE  30           HN       ILE  30   0.767   3.418  -9.091
  217    HA   ILE  30           HA       ILE  30   0.736   3.117  -6.380
  218    HB   ILE  30           HB       ILE  30  -0.250   1.358  -8.604
  219   HG12  ILE  30          HG12      ILE  30  -1.686   3.089  -6.593
  220   HG13  ILE  30          HG11      ILE  30  -1.381   3.506  -8.272
  221   HG21  ILE  30          HG21      ILE  30   0.009   0.709  -5.789
  222   HG22  ILE  30          HG22      ILE  30  -0.325  -0.334  -7.181
  223   HG23  ILE  30          HG23      ILE  30  -1.640   0.542  -6.395
  224   HD11  ILE  30          HD11      ILE  30  -3.084   1.233  -7.295
  225   HD12  ILE  30          HD12      ILE  30  -2.788   1.655  -8.982
  226   HD13  ILE  30          HD13      ILE  30  -3.662   2.771  -7.933
  227    H    ALA  31           HN       ALA  31   2.355   1.196  -8.800
  228    HA   ALA  31           HA       ALA  31   3.200  -0.919  -7.172
  229    HB1  ALA  31           HB1      ALA  31   4.822  -1.399  -8.928
  230    HB2  ALA  31           HB2      ALA  31   4.539   0.191  -9.637
  231    HB3  ALA  31           HB3      ALA  31   3.247  -1.009  -9.618
  232    H    ASP  32           HN       ASP  32   4.401   2.304  -7.585
  233    HA   ASP  32           HA       ASP  32   7.025   1.756  -6.559
  234    HB2  ASP  32           HB2      ASP  32   5.553   4.363  -6.992
  235    HB3  ASP  32           HB1      ASP  32   7.217   4.258  -6.426
  236    H    ALA  33           HN       ALA  33   4.019   3.070  -5.365
  237    HA   ALA  33           HA       ALA  33   4.995   3.576  -2.746
  238    HB1  ALA  33           HB1      ALA  33   3.084   4.758  -3.242
  239    HB2  ALA  33           HB2      ALA  33   2.463   3.467  -2.218
  240    HB3  ALA  33           HB3      ALA  33   2.281   3.372  -3.970
  241    H    LYS  34           HN       LYS  34   3.569   0.837  -4.384
  242    HA   LYS  34           HA       LYS  34   2.989  -0.790  -2.194
  243    HB2  LYS  34           HB2      LYS  34   2.393  -1.131  -4.659
  244    HB3  LYS  34           HB1      LYS  34   3.997  -1.826  -4.836
  245    HG2  LYS  34           HG2      LYS  34   2.591  -2.992  -2.599
  246    HG3  LYS  34           HG1      LYS  34   1.669  -3.143  -4.095
  247    HD2  LYS  34           HD2      LYS  34   3.051  -5.079  -3.888
  248    HD3  LYS  34           HD1      LYS  34   3.720  -4.076  -5.175
  249    HE2  LYS  34           HE2      LYS  34   5.487  -3.325  -3.800
  250    HE3  LYS  34           HE1      LYS  34   4.717  -3.949  -2.341
  251    HZ1  LYS  34           HZ1      LYS  34   5.012  -6.209  -3.296
  252    HZ2  LYS  34           HZ2      LYS  34   6.466  -5.420  -2.944
  253    HZ3  LYS  34           HZ3      LYS  34   5.928  -5.525  -4.545
  254    H    LEU  35           HN       LEU  35   6.030  -0.491  -4.069
  255    HA   LEU  35           HA       LEU  35   7.341  -2.555  -2.575
  256    HB2  LEU  35           HB2      LEU  35   8.299  -0.442  -4.478
  257    HB3  LEU  35           HB1      LEU  35   9.440  -1.433  -3.590
  258    HG   LEU  35           HG       LEU  35   9.171  -2.408  -5.743
  259   HD11  LEU  35          HD11      LEU  35   8.402  -4.619  -5.205
  260   HD12  LEU  35          HD12      LEU  35   7.478  -4.006  -3.834
  261   HD13  LEU  35          HD13      LEU  35   9.240  -3.950  -3.805
  262   HD21  LEU  35          HD21      LEU  35   7.194  -1.483  -6.567
  263   HD22  LEU  35          HD22      LEU  35   6.244  -2.071  -5.206
  264   HD23  LEU  35          HD23      LEU  35   6.839  -3.204  -6.421
  265    H    VAL  36           HN       VAL  36   7.373   0.955  -2.472
  266    HA   VAL  36           HA       VAL  36   9.320   1.158  -0.407
  267    HB   VAL  36           HB       VAL  36   7.224   3.183  -1.203
  268   HG11  VAL  36          HG11      VAL  36   9.858   3.593   0.207
  269   HG12  VAL  36          HG12      VAL  36   8.284   3.580   0.998
  270   HG13  VAL  36          HG13      VAL  36   8.662   4.829  -0.187
  271   HG21  VAL  36          HG21      VAL  36   8.673   2.425  -3.070
  272   HG22  VAL  36          HG22      VAL  36  10.081   2.939  -2.140
  273   HG23  VAL  36          HG23      VAL  36   8.888   4.127  -2.665
  274    H    CYS  37           HN       CYS  37   5.810   0.968  -0.392
  275    HA   CYS  37           HA       CYS  37   5.567   1.516   2.426
  276    HB2  CYS  37           HB2      CYS  37   3.762   2.212   1.034
  277    HB3  CYS  37           HB1      CYS  37   3.626   0.624   0.297
  278    H    ASN  38           HN       ASN  38   5.864  -1.321   0.415
  279    HA   ASN  38           HA       ASN  38   4.966  -3.135   2.465
  280    HB2  ASN  38           HB2      ASN  38   6.187  -3.542  -0.256
  281    HB3  ASN  38           HB1      ASN  38   5.849  -4.885   0.832
  282   HD21  ASN  38          HD21      ASN  38   4.338  -5.776  -0.552
  283   HD22  ASN  38          HD22      ASN  38   2.778  -5.075  -0.797
  284    H    ARG  39           HN       ARG  39   8.063  -1.884   1.383
  285    HA   ARG  39           HA       ARG  39   9.524  -3.886   2.897
  286    HB2  ARG  39           HB2      ARG  39  10.482  -1.461   1.371
  287    HB3  ARG  39           HB1      ARG  39  11.534  -2.645   2.135
  288    HG2  ARG  39           HG2      ARG  39  10.651  -4.385   0.672
  289    HG3  ARG  39           HG1      ARG  39   9.578  -3.207  -0.086
  290    HD2  ARG  39           HD2      ARG  39  12.594  -3.118  -0.084
  291    HD3  ARG  39           HD1      ARG  39  11.575  -3.597  -1.441
  292    HE   ARG  39           HE       ARG  39  10.806  -1.036  -0.621
  293   HH11  ARG  39          HH11      ARG  39  13.530  -2.635  -2.105
  294   HH12  ARG  39          HH12      ARG  39  14.036  -1.230  -2.982
  295   HH21  ARG  39          HH21      ARG  39  11.471   0.813  -1.773
  296   HH22  ARG  39          HH22      ARG  39  12.868   0.727  -2.793
  297    H    CYS  40           HN       CYS  40   7.969  -1.034   3.665
  298    HA   CYS  40           HA       CYS  40   9.844  -0.026   5.584
  299    HB2  CYS  40           HB2      CYS  40   8.545   1.746   5.101
  300    HB3  CYS  40           HB1      CYS  40   7.222   0.736   4.539
  301    HA   PRO  41           HA       PRO  41   9.169  -2.508   9.155
  302    HB2  PRO  41           HB2      PRO  41   8.572   0.062  10.560
  303    HB3  PRO  41           HB1      PRO  41   9.682  -1.238  11.017
  304    HG2  PRO  41           HG2      PRO  41  10.642   0.995   9.971
  305    HG3  PRO  41           HG1      PRO  41  11.298  -0.574   9.471
  306    HD2  PRO  41           HD2      PRO  41   9.413   1.241   8.025
  307    HD3  PRO  41           HD1      PRO  41  10.735   0.244   7.383
  308    H    VAL  42           HN       VAL  42   7.521  -2.348  11.247
  309    HA   VAL  42           HA       VAL  42   4.839  -2.183  10.033
  310    HB   VAL  42           HB       VAL  42   5.512  -4.489  10.509
  311   HG11  VAL  42          HG11      VAL  42   5.701  -3.572  13.376
  312   HG12  VAL  42          HG12      VAL  42   7.044  -4.079  12.352
  313   HG13  VAL  42          HG13      VAL  42   5.806  -5.244  12.823
  314   HG21  VAL  42          HG21      VAL  42   3.160  -3.939  10.631
  315   HG22  VAL  42          HG22      VAL  42   3.335  -3.438  12.313
  316   HG23  VAL  42          HG23      VAL  42   3.556  -5.131  11.870
  317    H    THR  43           HN       THR  43   3.149  -1.363  11.196
  318    HA   THR  43           HA       THR  43   3.706  -0.174  13.832
  319    HB   THR  43           HB       THR  43   2.403   1.811  13.228
  320    HG1  THR  43           HG1      THR  43   1.806   2.125  11.048
  321   HG21  THR  43          HG21      THR  43   4.780   1.984  12.984
  322   HG22  THR  43          HG22      THR  43   3.999   2.836  11.652
  323   HG23  THR  43          HG23      THR  43   4.707   1.243  11.386
  324    H    THR  44           HN       THR  44   1.635   0.565  14.890
  325    HA   THR  44           HA       THR  44  -0.173  -1.542  15.141
  326    HB   THR  44           HB       THR  44  -0.698   1.378  15.759
  327    HG1  THR  44           HG1      THR  44   1.149   0.608  16.854
  328   HG21  THR  44          HG21      THR  44  -2.302   0.505  17.399
  329   HG22  THR  44          HG22      THR  44  -1.969  -1.137  16.850
  330   HG23  THR  44          HG23      THR  44  -2.732   0.019  15.759
  331    H    GLU  45           HN       GLU  45  -0.018   1.145  12.925
  332    HA   GLU  45           HA       GLU  45  -2.720   1.038  12.017
  333    HB2  GLU  45           HB2      GLU  45  -0.185   2.176  10.854
  334    HB3  GLU  45           HB1      GLU  45  -1.702   2.212   9.965
  335    HG2  GLU  45           HG2      GLU  45  -2.724   3.438  11.861
  336    HG3  GLU  45           HG1      GLU  45  -1.137   3.497  12.625
  337    H    CYS  46           HN       CYS  46   0.261  -0.536  11.095
  338    HA   CYS  46           HA       CYS  46  -0.669  -1.706   8.693
  339    HB2  CYS  46           HB2      CYS  46   1.746  -1.530  10.088
  340    HB3  CYS  46           HB1      CYS  46   1.397  -3.252  10.009
  341    H    LEU  47           HN       LEU  47  -0.427  -2.932  12.027
  342    HA   LEU  47           HA       LEU  47  -1.416  -5.524  11.412
  343    HB2  LEU  47           HB2      LEU  47  -1.300  -4.002  14.014
  344    HB3  LEU  47           HB1      LEU  47  -1.839  -5.665  13.890
  345    HG   LEU  47           HG       LEU  47   0.412  -5.736  14.617
  346   HD11  LEU  47          HD11      LEU  47   1.538  -6.926  12.828
  347   HD12  LEU  47          HD12      LEU  47   0.410  -6.256  11.649
  348   HD13  LEU  47          HD13      LEU  47  -0.168  -7.371  12.887
  349   HD21  LEU  47          HD21      LEU  47   1.170  -3.987  12.287
  350   HD22  LEU  47          HD22      LEU  47   2.226  -4.575  13.571
  351   HD23  LEU  47          HD23      LEU  47   0.953  -3.411  13.939
  352    H    SER  48           HN       SER  48  -2.923  -2.613  12.743
  353    HA   SER  48           HA       SER  48  -5.496  -3.669  13.084
  354    HB2  SER  48           HB2      SER  48  -4.810  -1.559  14.115
  355    HB3  SER  48           HB1      SER  48  -4.677  -0.813  12.523
  356    HG   SER  48           HG       SER  48  -6.885  -1.254  14.064
  357    H    TRP  49           HN       TRP  49  -3.906  -2.294  10.312
  358    HA   TRP  49           HA       TRP  49  -6.215  -2.015   8.684
  359    HB2  TRP  49           HB2      TRP  49  -4.110  -0.815   8.224
  360    HB3  TRP  49           HB1      TRP  49  -3.322  -2.346   7.856
  361    HD1  TRP  49           HD1      TRP  49  -3.739  -3.395   5.476
  362    HE1  TRP  49           HE1      TRP  49  -4.871  -2.518   3.337
  363    HE3  TRP  49           HE3      TRP  49  -6.099   0.700   7.426
  364    HZ2  TRP  49           HZ2      TRP  49  -6.544  -0.374   2.578
  365    HZ3  TRP  49           HZ3      TRP  49  -7.445   2.111   5.927
  366    HH2  TRP  49           HH2      TRP  49  -7.661   1.584   3.553
  367    H    ALA  50           HN       ALA  50  -3.740  -4.538   8.969
  368    HA   ALA  50           HA       ALA  50  -4.686  -6.230   6.948
  369    HB1  ALA  50           HB1      ALA  50  -2.481  -6.467   7.989
  370    HB2  ALA  50           HB2      ALA  50  -3.387  -7.979   8.039
  371    HB3  ALA  50           HB3      ALA  50  -3.247  -6.987   9.490
  372    H    LEU  51           HN       LEU  51  -5.578  -5.940  10.348
  373    HA   LEU  51           HA       LEU  51  -7.236  -8.243  10.407
  374    HB2  LEU  51           HB2      LEU  51  -7.223  -5.795  12.168
  375    HB3  LEU  51           HB1      LEU  51  -8.138  -7.254  12.499
  376    HG   LEU  51           HG       LEU  51  -5.128  -7.047  12.372
  377   HD11  LEU  51          HD11      LEU  51  -6.069  -6.003  14.360
  378   HD12  LEU  51          HD12      LEU  51  -5.233  -7.501  14.771
  379   HD13  LEU  51          HD13      LEU  51  -6.995  -7.465  14.702
  380   HD21  LEU  51          HD21      LEU  51  -5.912  -9.212  11.576
  381   HD22  LEU  51          HD22      LEU  51  -6.902  -9.397  13.024
  382   HD23  LEU  51          HD23      LEU  51  -5.143  -9.363  13.156
  383    H    ASN  52           HN       ASN  52  -7.742  -4.906   9.581
  384    HA   ASN  52           HA       ASN  52 -10.586  -5.005   9.549
  385    HB2  ASN  52           HB2      ASN  52  -8.716  -3.084   8.151
  386    HB3  ASN  52           HB1      ASN  52 -10.446  -2.850   8.369
  387   HD21  ASN  52          HD21      ASN  52 -10.535  -3.886  11.053
  388   HD22  ASN  52          HD22      ASN  52  -9.780  -2.711  12.067
  389    H    THR  53           HN       THR  53  -8.091  -5.726   7.253
  390    HA   THR  53           HA       THR  53 -10.096  -6.154   5.147
  391    HB   THR  53           HB       THR  53  -8.294  -6.138   3.553
  392    HG1  THR  53           HG1      THR  53  -6.157  -6.101   4.183
  393   HG21  THR  53          HG21      THR  53  -9.091  -3.951   4.236
  394   HG22  THR  53          HG22      THR  53  -7.354  -3.884   3.939
  395   HG23  THR  53          HG23      THR  53  -7.965  -3.939   5.593
  396    H    GLY  54           HN       GLY  54  -8.554  -7.862   7.517
  397    HA2  GLY  54           HA2      GLY  54  -8.344 -10.110   7.926
  398    HA3  GLY  54           HA1      GLY  54  -9.392 -10.370   6.541
  399    H    GLN  55           HN       GLN  55  -6.298  -8.711   6.353
  400    HA   GLN  55           HA       GLN  55  -5.376 -10.798   4.524
  401    HB2  GLN  55           HB2      GLN  55  -4.383  -8.001   5.072
  402    HB3  GLN  55           HB1      GLN  55  -3.565  -9.123   3.994
  403    HG2  GLN  55           HG2      GLN  55  -6.350  -8.029   3.677
  404    HG3  GLN  55           HG1      GLN  55  -4.931  -7.604   2.722
  405   HE21  GLN  55          HE21      GLN  55  -3.959 -10.347   2.578
  406   HE22  GLN  55          HE22      GLN  55  -4.996 -11.169   1.471
  407    H    ASP  56           HN       ASP  56  -3.698 -12.119   4.930
  408    HA   ASP  56           HA       ASP  56  -2.681 -12.243   7.616
  409    HB2  ASP  56           HB2      ASP  56  -1.979 -13.884   5.172
  410    HB3  ASP  56           HB1      ASP  56  -1.470 -14.243   6.819
  411    H    SER  57           HN       SER  57  -1.289 -10.627   8.116
  412    HA   SER  57           HA       SER  57   1.303 -10.665   6.839
  413    HB2  SER  57           HB2      SER  57   1.333  -8.239   6.369
  414    HB3  SER  57           HB1      SER  57   0.111  -9.074   5.410
  415    HG   SER  57           HG       SER  57  -1.367  -8.429   7.189
  416    H    GLY  58           HN       GLY  58   2.864  -9.228   7.982
  417    HA2  GLY  58           HA2      GLY  58   2.154  -8.157  10.543
  418    HA3  GLY  58           HA1      GLY  58   2.973  -9.706  10.680
  419    H    VAL  59           HN       VAL  59   4.819  -9.533   8.639
  420    HA   VAL  59           HA       VAL  59   6.670  -7.591   9.774
  421    HB   VAL  59           HB       VAL  59   7.207  -9.725   7.704
  422   HG11  VAL  59          HG11      VAL  59   9.553  -9.420   8.350
  423   HG12  VAL  59          HG12      VAL  59   9.078  -8.115   9.438
  424   HG13  VAL  59          HG13      VAL  59   8.857  -7.937   7.697
  425   HG21  VAL  59          HG21      VAL  59   8.135 -11.038   9.557
  426   HG22  VAL  59          HG22      VAL  59   6.412 -10.729   9.773
  427   HG23  VAL  59          HG23      VAL  59   7.597  -9.802  10.694
  428    H    TRP  60           HN       TRP  60   4.868  -8.174   6.855
  429    HA   TRP  60           HA       TRP  60   6.367  -6.263   5.289
  430    HB2  TRP  60           HB2      TRP  60   3.760  -7.683   4.700
  431    HB3  TRP  60           HB1      TRP  60   4.671  -6.710   3.549
  432    HD1  TRP  60           HD1      TRP  60   4.692 -10.112   5.275
  433    HE1  TRP  60           HE1      TRP  60   6.412 -11.626   4.102
  434    HE3  TRP  60           HE3      TRP  60   6.869  -6.647   2.209
  435    HZ2  TRP  60           HZ2      TRP  60   8.424 -11.384   2.138
  436    HZ3  TRP  60           HZ3      TRP  60   8.684  -7.370   0.714
  437    HH2  TRP  60           HH2      TRP  60   9.445  -9.690   0.681
  438    H    GLY  61           HN       GLY  61   4.714  -4.721   3.961
  439    HA2  GLY  61           HA2      GLY  61   3.683  -2.931   6.015
  440    HA3  GLY  61           HA1      GLY  61   3.927  -2.540   4.320
  441    H    GLY  62           HN       GLY  62   1.683  -1.596   5.198
  442    HA2  GLY  62           HA2      GLY  62  -0.462  -3.551   4.915
  443    HA3  GLY  62           HA1      GLY  62  -0.645  -1.859   5.355
  444    H    MET  63           HN       MET  63  -1.786  -3.762   3.199
  445    HA   MET  63           HA       MET  63  -1.665  -1.764   1.064
  446    HB2  MET  63           HB2      MET  63  -0.007  -3.428   0.441
  447    HB3  MET  63           HB1      MET  63  -1.174  -4.721   0.679
  448    HG2  MET  63           HG2      MET  63  -2.526  -3.803  -1.159
  449    HG3  MET  63           HG1      MET  63  -1.294  -2.571  -1.420
  450    HE1  MET  63           HE1      MET  63  -2.089  -6.415  -1.479
  451    HE2  MET  63           HE2      MET  63  -0.689  -6.326  -0.410
  452    HE3  MET  63           HE3      MET  63  -0.543  -7.089  -1.994
  453    H    SER  64           HN       SER  64  -3.571  -1.456   0.020
  454    HA   SER  64           HA       SER  64  -5.903  -2.771   1.071
  455    HB2  SER  64           HB2      SER  64  -7.160  -1.129  -0.242
  456    HB3  SER  64           HB1      SER  64  -5.900  -0.329   0.698
  457    HG   SER  64           HG       SER  64  -6.134   0.272  -1.608
  458    H    GLU  65           HN       GLU  65  -7.608  -3.470  -0.451
  459    HA   GLU  65           HA       GLU  65  -6.661  -5.545  -2.112
  460    HB2  GLU  65           HB2      GLU  65  -8.845  -5.646  -1.003
  461    HB3  GLU  65           HB1      GLU  65  -9.415  -4.300  -1.980
  462    HG2  GLU  65           HG2      GLU  65  -9.165  -5.655  -3.996
  463    HG3  GLU  65           HG1      GLU  65  -8.592  -7.004  -3.016
  464    H    ASP  66           HN       ASP  66  -7.978  -2.334  -2.822
  465    HA   ASP  66           HA       ASP  66  -7.986  -2.577  -5.622
  466    HB2  ASP  66           HB2      ASP  66  -7.673  -0.113  -3.895
  467    HB3  ASP  66           HB1      ASP  66  -7.989  -0.086  -5.627
  468    H    GLU  67           HN       GLU  67  -5.531  -1.759  -3.316
  469    HA   GLU  67           HA       GLU  67  -3.579  -0.762  -5.082
  470    HB2  GLU  67           HB2      GLU  67  -3.706  -0.765  -2.464
  471    HB3  GLU  67           HB1      GLU  67  -2.860  -2.297  -2.611
  472    HG2  GLU  67           HG2      GLU  67  -1.869   0.239  -3.869
  473    HG3  GLU  67           HG1      GLU  67  -1.436  -0.255  -2.235
  474    H    ARG  68           HN       ARG  68  -4.248  -4.030  -3.858
  475    HA   ARG  68           HA       ARG  68  -2.069  -5.302  -5.093
  476    HB2  ARG  68           HB2      ARG  68  -2.943  -7.231  -4.273
  477    HB3  ARG  68           HB1      ARG  68  -3.966  -6.130  -3.365
  478    HG2  ARG  68           HG2      ARG  68  -5.691  -6.366  -5.142
  479    HG3  ARG  68           HG1      ARG  68  -4.672  -7.585  -5.904
  480    HD2  ARG  68           HD2      ARG  68  -5.813  -7.720  -3.115
  481    HD3  ARG  68           HD1      ARG  68  -6.404  -8.609  -4.518
  482    HE   ARG  68           HE       ARG  68  -3.688  -9.189  -4.185
  483   HH11  ARG  68          HH11      ARG  68  -6.730  -9.730  -2.562
  484   HH12  ARG  68          HH12      ARG  68  -6.220 -11.216  -1.834
  485   HH21  ARG  68          HH21      ARG  68  -3.016 -11.144  -3.229
  486   HH22  ARG  68          HH22      ARG  68  -4.111 -12.019  -2.212
  487    H    ARG  69           HN       ARG  69  -5.273  -4.443  -6.248
  488    HA   ARG  69           HA       ARG  69  -5.247  -5.882  -8.663
  489    HB2  ARG  69           HB2      ARG  69  -6.565  -3.220  -8.078
  490    HB3  ARG  69           HB1      ARG  69  -6.959  -4.288  -9.417
  491    HG2  ARG  69           HG2      ARG  69  -7.213  -5.110  -6.540
  492    HG3  ARG  69           HG1      ARG  69  -8.522  -4.358  -7.451
  493    HD2  ARG  69           HD2      ARG  69  -7.106  -6.892  -8.264
  494    HD3  ARG  69           HD1      ARG  69  -8.634  -6.840  -7.385
  495    HE   ARG  69           HE       ARG  69  -8.626  -5.364  -9.863
  496   HH11  ARG  69          HH11      ARG  69  -9.215  -8.453  -8.346
  497   HH12  ARG  69          HH12      ARG  69 -10.278  -9.003  -9.596
  498   HH21  ARG  69          HH21      ARG  69 -10.023  -6.088 -11.507
  499   HH22  ARG  69          HH22      ARG  69 -10.737  -7.663 -11.391
  500    H    ALA  70           HN       ALA  70  -4.139  -2.632  -7.834
  501    HA   ALA  70           HA       ALA  70  -3.345  -1.793 -10.391
  502    HB1  ALA  70           HB1      ALA  70  -2.209  -1.024  -7.711
  503    HB2  ALA  70           HB2      ALA  70  -3.592  -0.272  -8.507
  504    HB3  ALA  70           HB3      ALA  70  -1.985  -0.142  -9.222
  505    H    LEU  71           HN       LEU  71  -1.784  -3.746  -7.974
  506    HA   LEU  71           HA       LEU  71   0.831  -3.690  -9.111
  507    HB2  LEU  71           HB2      LEU  71   0.486  -4.157  -6.753
  508    HB3  LEU  71           HB1      LEU  71  -0.434  -5.597  -7.147
  509    HG   LEU  71           HG       LEU  71   1.609  -6.583  -8.160
  510   HD11  LEU  71          HD11      LEU  71   3.774  -5.544  -7.692
  511   HD12  LEU  71          HD12      LEU  71   2.950  -4.138  -7.017
  512   HD13  LEU  71          HD13      LEU  71   2.773  -4.526  -8.728
  513   HD21  LEU  71          HD21      LEU  71   1.014  -7.156  -5.892
  514   HD22  LEU  71          HD22      LEU  71   1.811  -5.706  -5.283
  515   HD23  LEU  71          HD23      LEU  71   2.766  -6.994  -6.017
  516    H    LYS  72           HN       LYS  72  -1.822  -6.075  -9.192
  517    HA   LYS  72           HA       LYS  72  -0.422  -8.002 -10.682
  518    HB2  LYS  72           HB2      LYS  72  -2.542  -9.065 -11.073
  519    HB3  LYS  72           HB1      LYS  72  -2.521  -8.450  -9.427
  520    HG2  LYS  72           HG2      LYS  72  -3.963  -6.662  -9.975
  521    HG3  LYS  72           HG1      LYS  72  -3.778  -6.951 -11.707
  522    HD2  LYS  72           HD2      LYS  72  -4.832  -9.202 -11.339
  523    HD3  LYS  72           HD1      LYS  72  -5.191  -8.688  -9.690
  524    HE2  LYS  72           HE2      LYS  72  -6.547  -6.868 -10.506
  525    HE3  LYS  72           HE1      LYS  72  -6.100  -7.236 -12.171
  526    HZ1  LYS  72           HZ1      LYS  72  -7.176  -9.429 -11.865
  527    HZ2  LYS  72           HZ2      LYS  72  -8.252  -8.131 -11.747
  528    HZ3  LYS  72           HZ3      LYS  72  -7.726  -8.921 -10.348
  529    H    ARG  73           HN       ARG  73  -2.341  -5.251 -11.634
  530    HA   ARG  73           HA       ARG  73  -2.370  -5.874 -14.415
  531    HB2  ARG  73           HB2      ARG  73  -2.846  -3.270 -12.957
  532    HB3  ARG  73           HB1      ARG  73  -3.075  -3.486 -14.687
  533    HG2  ARG  73           HG2      ARG  73  -4.683  -5.367 -14.063
  534    HG3  ARG  73           HG1      ARG  73  -4.627  -4.701 -12.430
  535    HD2  ARG  73           HD2      ARG  73  -5.450  -3.227 -14.929
  536    HD3  ARG  73           HD1      ARG  73  -6.532  -3.820 -13.671
  537    HE   ARG  73           HE       ARG  73  -4.861  -2.216 -12.300
  538   HH11  ARG  73          HH11      ARG  73  -6.720  -1.739 -15.216
  539   HH12  ARG  73          HH12      ARG  73  -6.925  -0.039 -14.956
  540   HH21  ARG  73          HH21      ARG  73  -5.133   0.020 -11.957
  541   HH22  ARG  73          HH22      ARG  73  -6.024   0.959 -13.108
  542    H    ARG  74           HN       ARG  74  -0.234  -4.088 -12.297
  543    HA   ARG  74           HA       ARG  74   1.292  -2.767 -14.262
  544    HB2  ARG  74           HB2      ARG  74   1.257  -2.394 -11.721
  545    HB3  ARG  74           HB1      ARG  74   2.375  -3.744 -11.624
  546    HG2  ARG  74           HG2      ARG  74   2.939  -1.365 -13.357
  547    HG3  ARG  74           HG1      ARG  74   3.343  -1.384 -11.640
  548    HD2  ARG  74           HD2      ARG  74   4.642  -3.476 -12.046
  549    HD3  ARG  74           HD1      ARG  74   4.348  -3.267 -13.769
  550    HE   ARG  74           HE       ARG  74   6.137  -1.710 -12.097
  551   HH11  ARG  74          HH11      ARG  74   4.519  -2.006 -15.180
  552   HH12  ARG  74          HH12      ARG  74   5.630  -0.962 -16.000
  553   HH21  ARG  74          HH21      ARG  74   7.593  -0.337 -13.179
  554   HH22  ARG  74          HH22      ARG  74   7.373  -0.015 -14.866
  555    H    ASN  75           HN       ASN  75   1.656  -5.923 -12.696
  556    HA   ASN  75           HA       ASN  75   4.088  -6.579 -14.032
  557    HB2  ASN  75           HB2      ASN  75   2.067  -8.315 -12.599
  558    HB3  ASN  75           HB1      ASN  75   3.622  -8.889 -13.194
  559   HD21  ASN  75          HD21      ASN  75   4.333  -9.434 -11.147
  560   HD22  ASN  75          HD22      ASN  75   4.781  -8.246  -9.975
  561    H    ALA  76           HN       ALA  76   0.685  -7.067 -14.707
  562    HA   ALA  76           HA       ALA  76  -0.426  -7.817 -16.545
  563    HB1  ALA  76           HB1      ALA  76   2.206  -7.333 -17.937
  564    HB2  ALA  76           HB2      ALA  76   0.935  -6.136 -17.691
  565    HB3  ALA  76           HB3      ALA  76   0.638  -7.538 -18.718
  Start of MODEL    2
    1    H1   MET   1           HT1      MET   1   9.032   7.221  16.415
    2    H2   MET   1           HT2      MET   1  10.529   6.626  16.923
    3    H3   MET   1           HT3      MET   1   9.108   5.805  17.338
    4    HA   MET   1           HA       MET   1  10.378   6.044  14.683
    5    HB2  MET   1           HB2      MET   1   9.487   3.645  16.296
    6    HB3  MET   1           HB1      MET   1  10.293   3.595  14.736
    7    HG2  MET   1           HG2      MET   1  11.994   3.152  16.236
    8    HG3  MET   1           HG1      MET   1  12.190   4.870  15.899
    9    HE1  MET   1           HE1      MET   1  10.310   3.167  19.755
   10    HE2  MET   1           HE2      MET   1  10.910   2.183  18.420
   11    HE3  MET   1           HE3      MET   1   9.458   3.161  18.212
   12    H    ASP   2           HN       ASP   2   7.373   5.691  16.391
   13    HA   ASP   2           HA       ASP   2   5.789   4.504  14.427
   14    HB2  ASP   2           HB2      ASP   2   5.001   6.588  16.475
   15    HB3  ASP   2           HB1      ASP   2   3.880   5.570  15.577
   16    H    TRP   3           HN       TRP   3   6.915   7.797  14.773
   17    HA   TRP   3           HA       TRP   3   5.142   8.981  12.904
   18    HB2  TRP   3           HB2      TRP   3   6.899  10.807  12.833
   19    HB3  TRP   3           HB1      TRP   3   6.249  10.434  14.426
   20    HD1  TRP   3           HD1      TRP   3   7.883   9.258  16.180
   21    HE1  TRP   3           HE1      TRP   3  10.443   9.060  16.279
   22    HE3  TRP   3           HE3      TRP   3   8.987  10.579  11.367
   23    HZ2  TRP   3           HZ2      TRP   3  12.646   9.424  14.550
   24    HZ3  TRP   3           HZ3      TRP   3  11.346  10.631  10.669
   25    HH2  TRP   3           HH2      TRP   3  13.137  10.066  12.229
   26    H    ARG   4           HN       ARG   4   8.365   7.556  12.614
   27    HA   ARG   4           HA       ARG   4   8.757   8.253   9.894
   28    HB2  ARG   4           HB2      ARG   4  10.618   7.662  11.374
   29    HB3  ARG   4           HB1      ARG   4   9.993   6.024  11.519
   30    HG2  ARG   4           HG2      ARG   4  10.352   5.680   9.121
   31    HG3  ARG   4           HG1      ARG   4  10.999   7.317   8.992
   32    HD2  ARG   4           HD2      ARG   4  12.139   5.087  10.675
   33    HD3  ARG   4           HD1      ARG   4  12.787   5.655   9.136
   34    HE   ARG   4           HE       ARG   4  12.626   7.832  10.885
   35   HH11  ARG   4          HH11      ARG   4  14.401   4.850  10.521
   36   HH12  ARG   4          HH12      ARG   4  15.812   5.443  11.332
   37   HH21  ARG   4          HH21      ARG   4  14.482   8.616  11.951
   38   HH22  ARG   4          HH22      ARG   4  15.857   7.582  12.145
   39    H    HIS   5           HN       HIS   5   7.454   5.383  11.498
   40    HA   HIS   5           HA       HIS   5   7.217   3.776   9.197
   41    HB2  HIS   5           HB2      HIS   5   5.536   3.746  11.712
   42    HB3  HIS   5           HB1      HIS   5   5.638   2.447  10.527
   43    HD1  HIS   5           HD1      HIS   5   8.463   1.851  10.156
   44    HD2  HIS   5           HD2      HIS   5   7.024   3.089  13.851
   45    HE1  HIS   5           HE1      HIS   5  10.159   1.066  11.840
   46    HE2  HIS   5           HE2      HIS   5   9.310   1.902  14.057
   47    H    LYS   6           HN       LYS   6   5.134   6.222  10.625
   48    HA   LYS   6           HA       LYS   6   3.094   5.700   8.615
   49    HB2  LYS   6           HB2      LYS   6   3.167   7.716  10.871
   50    HB3  LYS   6           HB1      LYS   6   1.801   7.460   9.793
   51    HG2  LYS   6           HG2      LYS   6   1.585   5.165  10.616
   52    HG3  LYS   6           HG1      LYS   6   2.945   5.436  11.708
   53    HD2  LYS   6           HD2      LYS   6   1.694   7.204  12.837
   54    HD3  LYS   6           HD1      LYS   6   0.340   6.960  11.732
   55    HE2  LYS   6           HE2      LYS   6  -0.058   5.849  13.866
   56    HE3  LYS   6           HE1      LYS   6   0.072   4.677  12.555
   57    HZ1  LYS   6           HZ1      LYS   6   2.354   4.241  13.222
   58    HZ2  LYS   6           HZ2      LYS   6   1.292   3.954  14.506
   59    HZ3  LYS   6           HZ3      LYS   6   2.226   5.365  14.481
   60    H    ALA   7           HN       ALA   7   5.917   7.314   8.907
   61    HA   ALA   7           HA       ALA   7   5.366   9.733   7.531
   62    HB1  ALA   7           HB1      ALA   7   7.434   9.317   8.900
   63    HB2  ALA   7           HB2      ALA   7   7.744   9.965   7.291
   64    HB3  ALA   7           HB3      ALA   7   7.998   8.252   7.613
   65    H    VAL   8           HN       VAL   8   6.519   6.524   6.670
   66    HA   VAL   8           HA       VAL   8   6.451   7.110   3.863
   67    HB   VAL   8           HB       VAL   8   6.552   4.308   4.933
   68   HG11  VAL   8          HG11      VAL   8   7.827   5.715   2.583
   69   HG12  VAL   8          HG12      VAL   8   6.455   4.607   2.525
   70   HG13  VAL   8          HG13      VAL   8   8.050   4.014   2.990
   71   HG21  VAL   8          HG21      VAL   8   8.818   6.306   4.941
   72   HG22  VAL   8          HG22      VAL   8   9.028   4.564   5.113
   73   HG23  VAL   8          HG23      VAL   8   8.133   5.468   6.334
   74    H    CYS   9           HN       CYS   9   4.234   6.077   6.306
   75    HA   CYS   9           HA       CYS   9   2.307   4.669   4.884
   76    HB2  CYS   9           HB2      CYS   9   2.226   6.500   7.214
   77    HB3  CYS   9           HB1      CYS   9   0.711   6.313   6.364
   78    H    ARG  10           HN       ARG  10   2.094   8.140   5.573
   79    HA   ARG  10           HA       ARG  10   0.284   8.660   3.447
   80    HB2  ARG  10           HB2      ARG  10   0.564  11.024   4.066
   81    HB3  ARG  10           HB1      ARG  10   0.260  10.004   5.466
   82    HG2  ARG  10           HG2      ARG  10   2.646  10.026   5.999
   83    HG3  ARG  10           HG1      ARG  10   2.946  11.055   4.598
   84    HD2  ARG  10           HD2      ARG  10   1.216  11.749   6.970
   85    HD3  ARG  10           HD1      ARG  10   2.840  12.362   6.662
   86    HE   ARG  10           HE       ARG  10   1.234  12.942   4.443
   87   HH11  ARG  10          HH11      ARG  10   1.557  13.852   7.797
   88   HH12  ARG  10          HH12      ARG  10   0.917  15.443   7.556
   89   HH21  ARG  10          HH21      ARG  10   0.392  15.034   4.125
   90   HH22  ARG  10          HH22      ARG  10   0.255  16.115   5.472
   91    H    ASP  11           HN       ASP  11   3.712   8.573   3.614
   92    HA   ASP  11           HA       ASP  11   4.129  10.274   1.318
   93    HB2  ASP  11           HB2      ASP  11   5.983   8.673   3.056
   94    HB3  ASP  11           HB1      ASP  11   6.541   9.449   1.581
   95    H    GLU  12           HN       GLU  12   2.736   7.439   1.304
   96    HA   GLU  12           HA       GLU  12   4.408   5.994  -0.538
   97    HB2  GLU  12           HB2      GLU  12   2.605   4.355  -0.535
   98    HB3  GLU  12           HB1      GLU  12   2.971   4.842   1.111
   99    HG2  GLU  12           HG2      GLU  12   1.036   6.383   1.040
  100    HG3  GLU  12           HG1      GLU  12   0.640   5.763  -0.559
  101    H    ASP  13           HN       ASP  13   1.746   5.236  -2.002
  102    HA   ASP  13           HA       ASP  13   1.941   7.462  -3.905
  103    HB2  ASP  13           HB2      ASP  13   2.645   5.133  -4.684
  104    HB3  ASP  13           HB1      ASP  13   0.948   4.678  -4.594
  105    HA   PRO  14           HA       PRO  14  -2.160   8.614  -2.628
  106    HB2  PRO  14           HB2      PRO  14  -2.774   9.894  -5.046
  107    HB3  PRO  14           HB1      PRO  14  -2.065  10.651  -3.619
  108    HG2  PRO  14           HG2      PRO  14  -0.745   9.672  -6.100
  109    HG3  PRO  14           HG1      PRO  14  -0.334  11.059  -5.078
  110    HD2  PRO  14           HD2      PRO  14   1.099   8.791  -5.021
  111    HD3  PRO  14           HD1      PRO  14   0.817   9.749  -3.552
  112    H    GLU  15           HN       GLU  15  -1.345   6.911  -5.555
  113    HA   GLU  15           HA       GLU  15  -4.018   6.248  -6.278
  114    HB2  GLU  15           HB2      GLU  15  -1.367   5.023  -7.091
  115    HB3  GLU  15           HB1      GLU  15  -2.921   4.548  -7.759
  116    HG2  GLU  15           HG2      GLU  15  -1.763   6.085  -9.232
  117    HG3  GLU  15           HG1      GLU  15  -3.269   6.780  -8.635
  118    H    LEU  16           HN       LEU  16  -1.780   5.020  -3.955
  119    HA   LEU  16           HA       LEU  16  -2.842   2.388  -3.757
  120    HB2  LEU  16           HB2      LEU  16  -1.343   3.964  -1.654
  121    HB3  LEU  16           HB1      LEU  16  -1.606   2.229  -1.649
  122    HG   LEU  16           HG       LEU  16   0.373   3.824  -3.129
  123   HD11  LEU  16          HD11      LEU  16   1.606   1.666  -3.120
  124   HD12  LEU  16          HD12      LEU  16   0.231   0.944  -2.265
  125   HD13  LEU  16          HD13      LEU  16   1.152   2.239  -1.502
  126   HD21  LEU  16          HD21      LEU  16   0.431   2.093  -4.931
  127   HD22  LEU  16          HD22      LEU  16  -0.881   3.269  -5.027
  128   HD23  LEU  16          HD23      LEU  16  -1.195   1.642  -4.432
  129    H    PHE  17           HN       PHE  17  -4.068   5.388  -2.861
  130    HA   PHE  17           HA       PHE  17  -5.879   4.194  -0.884
  131    HB2  PHE  17           HB2      PHE  17  -5.349   7.104  -1.532
  132    HB3  PHE  17           HB1      PHE  17  -6.454   6.523  -0.291
  133    HD1  PHE  17           HD1      PHE  17  -5.624   5.581   1.776
  134    HD2  PHE  17           HD2      PHE  17  -2.956   6.996  -1.222
  135    HE1  PHE  17           HE1      PHE  17  -3.782   5.549   3.406
  136    HE2  PHE  17           HE2      PHE  17  -1.108   6.966   0.401
  137    HZ   PHE  17           HZ       PHE  17  -1.520   6.242   2.719
  138    H    PHE  18           HN       PHE  18  -5.674   5.006  -4.132
  139    HA   PHE  18           HA       PHE  18  -8.605   4.995  -4.372
  140    HB2  PHE  18           HB2      PHE  18  -6.688   6.743  -5.922
  141    HB3  PHE  18           HB1      PHE  18  -8.399   6.564  -6.295
  142    HD1  PHE  18           HD1      PHE  18  -9.903   8.053  -5.390
  143    HD2  PHE  18           HD2      PHE  18  -6.144   7.491  -3.479
  144    HE1  PHE  18           HE1      PHE  18 -10.439   9.866  -3.814
  145    HE2  PHE  18           HE2      PHE  18  -6.671   9.301  -1.899
  146    HZ   PHE  18           HZ       PHE  18  -8.820  10.491  -2.065
  147    HA   PRO  19           HA       PRO  19  -7.560   1.441  -6.907
  148    HB2  PRO  19           HB2      PRO  19 -10.373   1.737  -7.793
  149    HB3  PRO  19           HB1      PRO  19  -9.553   0.335  -7.098
  150    HG2  PRO  19           HG2      PRO  19 -11.307   1.750  -5.668
  151    HG3  PRO  19           HG1      PRO  19  -9.847   1.073  -4.924
  152    HD2  PRO  19           HD2      PRO  19 -10.418   3.887  -5.765
  153    HD3  PRO  19           HD1      PRO  19  -9.559   3.290  -4.330
  154    H    VAL  20           HN       VAL  20  -6.732   1.345  -8.919
  155    HA   VAL  20           HA       VAL  20  -7.038   3.576 -10.701
  156    HB   VAL  20           HB       VAL  20  -5.579   0.979 -11.177
  157   HG11  VAL  20          HG11      VAL  20  -5.340   3.687 -12.486
  158   HG12  VAL  20          HG12      VAL  20  -5.981   2.216 -13.221
  159   HG13  VAL  20          HG13      VAL  20  -4.275   2.313 -12.788
  160   HG21  VAL  20          HG21      VAL  20  -4.520   3.575 -10.070
  161   HG22  VAL  20          HG22      VAL  20  -3.586   2.114 -10.395
  162   HG23  VAL  20          HG23      VAL  20  -4.821   2.110  -9.136
  163    H    GLY  21           HN       GLY  21  -7.706   3.449 -12.887
  164    HA2  GLY  21           HA2      GLY  21  -8.908   1.188 -14.056
  165    HA3  GLY  21           HA1      GLY  21 -10.155   2.159 -13.295
  166    H    ASN  22           HN       ASN  22  -7.991   4.428 -14.127
  167    HA   ASN  22           HA       ASN  22  -9.083   4.698 -16.844
  168    HB2  ASN  22           HB2      ASN  22  -8.598   6.892 -14.824
  169    HB3  ASN  22           HB1      ASN  22  -9.127   7.141 -16.485
  170   HD21  ASN  22          HD21      ASN  22 -11.217   6.569 -17.077
  171   HD22  ASN  22          HD22      ASN  22 -12.456   6.279 -15.909
  172    H    SER  23           HN       SER  23  -6.227   4.595 -14.938
  173    HA   SER  23           HA       SER  23  -4.706   5.441 -17.305
  174    HB2  SER  23           HB2      SER  23  -3.090   6.621 -15.856
  175    HB3  SER  23           HB1      SER  23  -4.701   7.339 -15.769
  176    HG   SER  23           HG       SER  23  -4.494   7.052 -13.703
  177    H    GLY  24           HN       GLY  24  -2.593   4.626 -17.474
  178    HA2  GLY  24           HA2      GLY  24  -2.253   2.018 -16.238
  179    HA3  GLY  24           HA1      GLY  24  -1.303   2.672 -17.566
  180    HA   PRO  25           HA       PRO  25   1.841   4.538 -15.013
  181    HB2  PRO  25           HB2      PRO  25   0.329   7.074 -14.553
  182    HB3  PRO  25           HB1      PRO  25   2.008   6.847 -15.063
  183    HG2  PRO  25           HG2      PRO  25   0.149   7.549 -16.828
  184    HG3  PRO  25           HG1      PRO  25   1.415   6.385 -17.260
  185    HD2  PRO  25           HD2      PRO  25  -1.457   5.912 -16.624
  186    HD3  PRO  25           HD1      PRO  25  -0.404   5.070 -17.776
  187    H    ALA  26           HN       ALA  26  -1.439   4.821 -13.890
  188    HA   ALA  26           HA       ALA  26  -0.922   5.406 -11.185
  189    HB1  ALA  26           HB1      ALA  26  -3.125   5.054 -10.821
  190    HB2  ALA  26           HB2      ALA  26  -3.141   3.538 -11.725
  191    HB3  ALA  26           HB3      ALA  26  -3.201   5.080 -12.585
  192    H    LEU  27           HN       LEU  27  -0.860   2.439 -12.993
  193    HA   LEU  27           HA       LEU  27  -0.651   0.686 -10.767
  194    HB2  LEU  27           HB2      LEU  27   0.243   0.354 -13.625
  195    HB3  LEU  27           HB1      LEU  27   0.178  -0.939 -12.446
  196    HG   LEU  27           HG       LEU  27  -1.796  -1.324 -13.526
  197   HD11  LEU  27          HD11      LEU  27  -3.549  -0.770 -12.126
  198   HD12  LEU  27          HD12      LEU  27  -2.920   0.848 -11.811
  199   HD13  LEU  27          HD13      LEU  27  -2.147  -0.555 -11.078
  200   HD21  LEU  27          HD21      LEU  27  -2.271   1.627 -13.877
  201   HD22  LEU  27          HD22      LEU  27  -3.134   0.297 -14.648
  202   HD23  LEU  27          HD23      LEU  27  -1.450   0.612 -15.062
  203    H    ALA  28           HN       ALA  28   1.663   2.288 -12.876
  204    HA   ALA  28           HA       ALA  28   3.949   1.104 -11.664
  205    HB1  ALA  28           HB1      ALA  28   4.037   2.047 -13.926
  206    HB2  ALA  28           HB2      ALA  28   5.237   2.797 -12.873
  207    HB3  ALA  28           HB3      ALA  28   3.747   3.656 -13.264
  208    H    GLN  29           HN       GLN  29   2.014   3.923 -11.103
  209    HA   GLN  29           HA       GLN  29   3.793   5.192  -9.239
  210    HB2  GLN  29           HB2      GLN  29   0.830   5.483  -9.818
  211    HB3  GLN  29           HB1      GLN  29   1.649   6.429  -8.576
  212    HG2  GLN  29           HG2      GLN  29   3.123   7.390 -10.251
  213    HG3  GLN  29           HG1      GLN  29   2.358   6.414 -11.502
  214   HE21  GLN  29          HE21      GLN  29   2.014   9.131  -9.368
  215   HE22  GLN  29          HE22      GLN  29   0.618   9.811 -10.126
  216    H    ILE  30           HN       ILE  30   0.833   3.309  -8.950
  217    HA   ILE  30           HA       ILE  30   0.766   3.025  -6.222
  218    HB   ILE  30           HB       ILE  30  -0.239   1.278  -8.448
  219   HG12  ILE  30          HG12      ILE  30  -1.595   3.137  -6.496
  220   HG13  ILE  30          HG11      ILE  30  -1.392   3.376  -8.220
  221   HG21  ILE  30          HG21      ILE  30   0.040   0.590  -5.663
  222   HG22  ILE  30          HG22      ILE  30  -0.410  -0.414  -7.047
  223   HG23  ILE  30          HG23      ILE  30  -1.639   0.519  -6.194
  224   HD11  ILE  30          HD11      ILE  30  -3.659   2.720  -7.667
  225   HD12  ILE  30          HD12      ILE  30  -3.056   1.234  -6.933
  226   HD13  ILE  30          HD13      ILE  30  -2.866   1.503  -8.665
  227    H    ALA  31           HN       ALA  31   2.291   1.017  -8.640
  228    HA   ALA  31           HA       ALA  31   3.124  -1.066  -6.965
  229    HB1  ALA  31           HB1      ALA  31   4.425  -0.066  -9.498
  230    HB2  ALA  31           HB2      ALA  31   3.111  -1.240  -9.405
  231    HB3  ALA  31           HB3      ALA  31   4.697  -1.635  -8.741
  232    H    ASP  32           HN       ASP  32   4.339   2.124  -7.453
  233    HA   ASP  32           HA       ASP  32   7.014   1.561  -6.577
  234    HB2  ASP  32           HB2      ASP  32   5.541   4.164  -7.001
  235    HB3  ASP  32           HB1      ASP  32   7.220   4.072  -6.476
  236    H    ALA  33           HN       ALA  33   4.071   2.855  -5.207
  237    HA   ALA  33           HA       ALA  33   5.264   3.456  -2.691
  238    HB1  ALA  33           HB1      ALA  33   2.492   3.319  -3.740
  239    HB2  ALA  33           HB2      ALA  33   3.353   4.640  -2.957
  240    HB3  ALA  33           HB3      ALA  33   2.741   3.302  -1.995
  241    H    LYS  34           HN       LYS  34   3.698   0.641  -4.089
  242    HA   LYS  34           HA       LYS  34   3.388  -0.824  -1.714
  243    HB2  LYS  34           HB2      LYS  34   2.666  -2.543  -3.022
  244    HB3  LYS  34           HB1      LYS  34   2.521  -1.239  -4.187
  245    HG2  LYS  34           HG2      LYS  34   3.570  -2.794  -5.466
  246    HG3  LYS  34           HG1      LYS  34   4.975  -1.972  -4.794
  247    HD2  LYS  34           HD2      LYS  34   5.323  -3.681  -3.186
  248    HD3  LYS  34           HD1      LYS  34   3.755  -4.412  -3.530
  249    HE2  LYS  34           HE2      LYS  34   4.506  -5.042  -5.748
  250    HE3  LYS  34           HE1      LYS  34   6.051  -4.238  -5.478
  251    HZ1  LYS  34           HZ1      LYS  34   6.228  -6.622  -5.154
  252    HZ2  LYS  34           HZ2      LYS  34   5.029  -6.579  -3.962
  253    HZ3  LYS  34           HZ3      LYS  34   6.511  -5.808  -3.697
  254    H    LEU  35           HN       LEU  35   6.157  -0.613  -3.988
  255    HA   LEU  35           HA       LEU  35   7.674  -2.620  -2.634
  256    HB2  LEU  35           HB2      LEU  35   8.433  -0.385  -4.498
  257    HB3  LEU  35           HB1      LEU  35   9.663  -1.348  -3.708
  258    HG   LEU  35           HG       LEU  35   9.489  -2.390  -5.750
  259   HD11  LEU  35          HD11      LEU  35   7.411  -3.830  -4.113
  260   HD12  LEU  35          HD12      LEU  35   9.156  -4.027  -3.958
  261   HD13  LEU  35          HD13      LEU  35   8.343  -4.504  -5.449
  262   HD21  LEU  35          HD21      LEU  35   6.499  -2.313  -5.737
  263   HD22  LEU  35          HD22      LEU  35   7.598  -2.534  -7.100
  264   HD23  LEU  35          HD23      LEU  35   7.459  -0.955  -6.319
  265    H    VAL  36           HN       VAL  36   7.527   0.880  -2.458
  266    HA   VAL  36           HA       VAL  36   9.529   1.247  -0.516
  267    HB   VAL  36           HB       VAL  36   7.092   2.950  -1.066
  268   HG11  VAL  36          HG11      VAL  36   8.045   3.416   1.139
  269   HG12  VAL  36          HG12      VAL  36   8.312   4.757   0.026
  270   HG13  VAL  36          HG13      VAL  36   9.631   3.649   0.407
  271   HG21  VAL  36          HG21      VAL  36   9.923   3.358  -2.006
  272   HG22  VAL  36          HG22      VAL  36   8.478   4.234  -2.511
  273   HG23  VAL  36          HG23      VAL  36   8.690   2.543  -2.966
  274    H    CYS  37           HN       CYS  37   6.137   0.409  -0.251
  275    HA   CYS  37           HA       CYS  37   5.974   0.811   2.582
  276    HB2  CYS  37           HB2      CYS  37   4.185   0.062   0.426
  277    HB3  CYS  37           HB1      CYS  37   3.938  -0.964   1.834
  278    H    ASN  38           HN       ASN  38   7.188  -1.690   0.574
  279    HA   ASN  38           HA       ASN  38   6.780  -3.827   2.460
  280    HB2  ASN  38           HB2      ASN  38   8.286  -3.622  -0.138
  281    HB3  ASN  38           HB1      ASN  38   8.328  -5.073   0.860
  282   HD21  ASN  38          HD21      ASN  38   7.352  -6.247  -0.814
  283   HD22  ASN  38          HD22      ASN  38   5.662  -6.110  -1.144
  284    H    ARG  39           HN       ARG  39   9.326  -1.522   1.790
  285    HA   ARG  39           HA       ARG  39  11.281  -3.032   3.317
  286    HB2  ARG  39           HB2      ARG  39  11.443  -0.267   2.108
  287    HB3  ARG  39           HB1      ARG  39  12.783  -1.132   2.848
  288    HG2  ARG  39           HG2      ARG  39  12.612  -2.868   1.139
  289    HG3  ARG  39           HG1      ARG  39  11.265  -2.002   0.397
  290    HD2  ARG  39           HD2      ARG  39  13.347  -1.553  -0.787
  291    HD3  ARG  39           HD1      ARG  39  12.722  -0.089  -0.028
  292    HE   ARG  39           HE       ARG  39  14.522  -1.290   1.741
  293   HH11  ARG  39          HH11      ARG  39  14.535   0.287  -1.373
  294   HH12  ARG  39          HH12      ARG  39  16.153   0.881  -1.205
  295   HH21  ARG  39          HH21      ARG  39  16.651  -0.510   1.963
  296   HH22  ARG  39          HH22      ARG  39  17.354   0.428   0.688
  297    H    CYS  40           HN       CYS  40   8.752  -1.020   4.085
  298    HA   CYS  40           HA       CYS  40   9.936   0.424   6.254
  299    HB2  CYS  40           HB2      CYS  40   8.105   1.498   5.325
  300    HB3  CYS  40           HB1      CYS  40   7.183   0.016   5.161
  301    HA   PRO  41           HA       PRO  41  10.342  -2.864   9.222
  302    HB2  PRO  41           HB2      PRO  41   9.498  -0.628  11.026
  303    HB3  PRO  41           HB1      PRO  41  10.799  -1.808  11.234
  304    HG2  PRO  41           HG2      PRO  41  11.363   0.649  10.415
  305    HG3  PRO  41           HG1      PRO  41  12.186  -0.747   9.696
  306    HD2  PRO  41           HD2      PRO  41  10.048   0.982   8.561
  307    HD3  PRO  41           HD1      PRO  41  11.368   0.127   7.738
  308    H    VAL  42           HN       VAL  42   7.448  -0.906   8.979
  309    HA   VAL  42           HA       VAL  42   5.250  -1.544   9.090
  310    HB   VAL  42           HB       VAL  42   6.144  -4.201  10.213
  311   HG11  VAL  42          HG11      VAL  42   3.574  -3.328   8.901
  312   HG12  VAL  42          HG12      VAL  42   3.806  -3.676  10.614
  313   HG13  VAL  42          HG13      VAL  42   3.956  -4.969   9.423
  314   HG21  VAL  42          HG21      VAL  42   5.678  -3.379   7.349
  315   HG22  VAL  42          HG22      VAL  42   5.844  -5.046   7.898
  316   HG23  VAL  42          HG23      VAL  42   7.194  -3.925   8.064
  317    H    THR  43           HN       THR  43   3.686  -1.287  10.624
  318    HA   THR  43           HA       THR  43   4.500  -1.375  13.448
  319    HB   THR  43           HB       THR  43   3.299   0.716  13.886
  320    HG1  THR  43           HG1      THR  43   3.186   1.059  11.064
  321   HG21  THR  43          HG21      THR  43   5.689   0.821  13.532
  322   HG22  THR  43          HG22      THR  43   4.905   2.254  12.871
  323   HG23  THR  43          HG23      THR  43   5.445   0.967  11.793
  324    H    THR  44           HN       THR  44   2.584  -1.005  14.904
  325    HA   THR  44           HA       THR  44   0.665  -2.978  14.558
  326    HB   THR  44           HB       THR  44   0.361  -0.440  16.188
  327    HG1  THR  44           HG1      THR  44   1.751  -1.321  17.512
  328   HG21  THR  44          HG21      THR  44  -1.179  -1.776  17.556
  329   HG22  THR  44          HG22      THR  44  -0.985  -3.133  16.448
  330   HG23  THR  44          HG23      THR  44  -1.748  -1.643  15.892
  331    H    GLU  45           HN       GLU  45   0.856   0.292  13.376
  332    HA   GLU  45           HA       GLU  45  -1.837   0.783  12.752
  333    HB2  GLU  45           HB2      GLU  45  -0.072   2.497  12.566
  334    HB3  GLU  45           HB1      GLU  45   0.651   1.611  11.231
  335    HG2  GLU  45           HG2      GLU  45  -0.630   3.503  10.427
  336    HG3  GLU  45           HG1      GLU  45  -1.348   1.985   9.888
  337    H    CYS  46           HN       CYS  46   0.719  -0.903  11.034
  338    HA   CYS  46           HA       CYS  46  -0.773  -1.476   8.691
  339    HB2  CYS  46           HB2      CYS  46   1.877  -1.770   9.550
  340    HB3  CYS  46           HB1      CYS  46   1.315  -3.408   9.235
  341    H    LEU  47           HN       LEU  47  -0.067  -3.305  11.647
  342    HA   LEU  47           HA       LEU  47  -1.321  -5.706  10.836
  343    HB2  LEU  47           HB2      LEU  47  -0.771  -4.584  13.581
  344    HB3  LEU  47           HB1      LEU  47  -1.432  -6.185  13.307
  345    HG   LEU  47           HG       LEU  47   0.640  -6.713  11.977
  346   HD11  LEU  47          HD11      LEU  47   2.612  -5.258  12.502
  347   HD12  LEU  47          HD12      LEU  47   1.473  -4.055  13.109
  348   HD13  LEU  47          HD13      LEU  47   1.423  -4.541  11.414
  349   HD21  LEU  47          HD21      LEU  47   0.984  -5.966  14.877
  350   HD22  LEU  47          HD22      LEU  47   2.029  -7.056  13.967
  351   HD23  LEU  47          HD23      LEU  47   0.345  -7.490  14.262
  352    H    SER  48           HN       SER  48  -2.460  -2.929  12.698
  353    HA   SER  48           HA       SER  48  -5.025  -3.899  13.274
  354    HB2  SER  48           HB2      SER  48  -4.121  -1.035  12.903
  355    HB3  SER  48           HB1      SER  48  -5.632  -1.533  13.664
  356    HG   SER  48           HG       SER  48  -3.089  -2.381  14.580
  357    H    TRP  49           HN       TRP  49  -3.723  -2.295  10.476
  358    HA   TRP  49           HA       TRP  49  -6.181  -1.721   9.193
  359    HB2  TRP  49           HB2      TRP  49  -4.076  -0.623   8.551
  360    HB3  TRP  49           HB1      TRP  49  -3.441  -2.163   7.983
  361    HD1  TRP  49           HD1      TRP  49  -4.279  -3.045   5.626
  362    HE1  TRP  49           HE1      TRP  49  -5.550  -1.916   3.694
  363    HE3  TRP  49           HE3      TRP  49  -5.921   1.135   8.068
  364    HZ2  TRP  49           HZ2      TRP  49  -7.052   0.434   3.262
  365    HZ3  TRP  49           HZ3      TRP  49  -7.271   2.775   6.823
  366    HH2  TRP  49           HH2      TRP  49  -7.823   2.431   4.470
  367    H    ALA  50           HN       ALA  50  -3.934  -4.450   9.008
  368    HA   ALA  50           HA       ALA  50  -5.267  -5.877   6.983
  369    HB1  ALA  50           HB1      ALA  50  -2.962  -6.353   7.715
  370    HB2  ALA  50           HB2      ALA  50  -3.977  -7.794   7.713
  371    HB3  ALA  50           HB3      ALA  50  -3.594  -6.989   9.234
  372    H    LEU  51           HN       LEU  51  -5.663  -5.806  10.485
  373    HA   LEU  51           HA       LEU  51  -7.466  -7.973  10.653
  374    HB2  LEU  51           HB2      LEU  51  -7.111  -5.595  12.474
  375    HB3  LEU  51           HB1      LEU  51  -8.067  -7.013  12.864
  376    HG   LEU  51           HG       LEU  51  -5.084  -6.965  12.404
  377   HD11  LEU  51          HD11      LEU  51  -4.949  -7.500  14.785
  378   HD12  LEU  51          HD12      LEU  51  -6.703  -7.365  14.915
  379   HD13  LEU  51          HD13      LEU  51  -5.736  -5.946  14.515
  380   HD21  LEU  51          HD21      LEU  51  -6.076  -9.054  11.636
  381   HD22  LEU  51          HD22      LEU  51  -6.906  -9.239  13.181
  382   HD23  LEU  51          HD23      LEU  51  -5.146  -9.304  13.113
  383    H    ASN  52           HN       ASN  52  -7.849  -4.584   9.993
  384    HA   ASN  52           HA       ASN  52 -10.680  -4.510  10.266
  385    HB2  ASN  52           HB2      ASN  52  -8.848  -2.657   8.732
  386    HB3  ASN  52           HB1      ASN  52 -10.527  -2.325   9.144
  387   HD21  ASN  52          HD21      ASN  52 -10.396  -3.454  11.788
  388   HD22  ASN  52          HD22      ASN  52  -9.462  -2.366  12.751
  389    H    THR  53           HN       THR  53  -8.497  -5.337   7.712
  390    HA   THR  53           HA       THR  53 -10.719  -5.536   5.800
  391    HB   THR  53           HB       THR  53  -9.083  -5.617   4.041
  392    HG1  THR  53           HG1      THR  53  -6.869  -5.691   4.500
  393   HG21  THR  53          HG21      THR  53  -9.620  -3.395   4.849
  394   HG22  THR  53          HG22      THR  53  -7.919  -3.462   4.389
  395   HG23  THR  53          HG23      THR  53  -8.376  -3.520   6.092
  396    H    GLY  54           HN       GLY  54  -9.125  -7.436   7.975
  397    HA2  GLY  54           HA2      GLY  54  -9.229  -9.712   8.328
  398    HA3  GLY  54           HA1      GLY  54 -10.175  -9.848   6.855
  399    H    GLN  55           HN       GLN  55  -7.058  -8.303   6.788
  400    HA   GLN  55           HA       GLN  55  -6.075 -10.471   5.092
  401    HB2  GLN  55           HB2      GLN  55  -5.000  -7.691   5.601
  402    HB3  GLN  55           HB1      GLN  55  -4.259  -8.863   4.520
  403    HG2  GLN  55           HG2      GLN  55  -7.066  -7.835   4.201
  404    HG3  GLN  55           HG1      GLN  55  -5.661  -7.131   3.404
  405   HE21  GLN  55          HE21      GLN  55  -6.445  -7.593   1.360
  406   HE22  GLN  55          HE22      GLN  55  -6.487  -9.198   0.725
  407    H    ASP  56           HN       ASP  56  -3.885 -11.266   5.347
  408    HA   ASP  56           HA       ASP  56  -3.314 -11.907   8.078
  409    HB2  ASP  56           HB2      ASP  56  -1.751 -12.505   5.557
  410    HB3  ASP  56           HB1      ASP  56  -1.435 -13.210   7.140
  411    H    SER  57           HN       SER  57  -0.870 -11.835   8.732
  412    HA   SER  57           HA       SER  57   0.112  -9.103   8.220
  413    HB2  SER  57           HB2      SER  57   0.287 -10.702  10.787
  414    HB3  SER  57           HB1      SER  57   0.990  -9.105  10.531
  415    HG   SER  57           HG       SER  57  -1.773  -9.681  10.253
  416    H    GLY  58           HN       GLY  58   2.339  -8.790   8.049
  417    HA2  GLY  58           HA2      GLY  58   4.206 -10.936   8.388
  418    HA3  GLY  58           HA1      GLY  58   3.831 -10.650   6.696
  419    H    VAL  59           HN       VAL  59   5.970 -10.018   6.262
  420    HA   VAL  59           HA       VAL  59   7.211  -7.863   7.681
  421    HB   VAL  59           HB       VAL  59   7.955  -8.989   4.978
  422   HG11  VAL  59          HG11      VAL  59  10.187  -8.118   5.502
  423   HG12  VAL  59          HG12      VAL  59   9.561  -7.429   7.000
  424   HG13  VAL  59          HG13      VAL  59   8.982  -6.832   5.446
  425   HG21  VAL  59          HG21      VAL  59   7.882 -10.761   6.643
  426   HG22  VAL  59          HG22      VAL  59   8.891  -9.805   7.728
  427   HG23  VAL  59          HG23      VAL  59   9.550 -10.396   6.204
  428    H    TRP  60           HN       TRP  60   5.163  -8.145   4.880
  429    HA   TRP  60           HA       TRP  60   5.247  -5.220   4.584
  430    HB2  TRP  60           HB2      TRP  60   4.988  -5.486   2.144
  431    HB3  TRP  60           HB1      TRP  60   6.496  -6.186   2.724
  432    HD1  TRP  60           HD1      TRP  60   3.096  -7.181   1.272
  433    HE1  TRP  60           HE1      TRP  60   3.234  -9.617   0.452
  434    HE3  TRP  60           HE3      TRP  60   7.721  -8.388   3.087
  435    HZ2  TRP  60           HZ2      TRP  60   5.061 -11.765   0.561
  436    HZ3  TRP  60           HZ3      TRP  60   8.591 -10.654   2.685
  437    HH2  TRP  60           HH2      TRP  60   7.287 -12.307   1.448
  438    H    GLY  61           HN       GLY  61   3.318  -4.348   4.930
  439    HA2  GLY  61           HA2      GLY  61   0.923  -5.692   3.943
  440    HA3  GLY  61           HA1      GLY  61   1.014  -5.423   5.677
  441    H    GLY  62           HN       GLY  62  -0.762  -4.039   5.707
  442    HA2  GLY  62           HA2      GLY  62  -1.791  -1.987   5.680
  443    HA3  GLY  62           HA1      GLY  62  -0.204  -1.298   5.372
  444    H    MET  63           HN       MET  63  -1.603  -3.650   3.224
  445    HA   MET  63           HA       MET  63  -2.065  -1.505   1.255
  446    HB2  MET  63           HB2      MET  63  -0.093  -2.830   0.685
  447    HB3  MET  63           HB1      MET  63  -1.037  -4.310   0.786
  448    HG2  MET  63           HG2      MET  63  -2.387  -3.592  -1.105
  449    HG3  MET  63           HG1      MET  63  -1.473  -2.090  -1.195
  450    HE1  MET  63           HE1      MET  63   0.158  -5.564  -0.315
  451    HE2  MET  63           HE2      MET  63   0.437  -6.222  -1.928
  452    HE3  MET  63           HE3      MET  63  -1.211  -5.988  -1.343
  453    H    SER  64           HN       SER  64  -3.957  -1.519   0.149
  454    HA   SER  64           HA       SER  64  -6.042  -3.263   1.075
  455    HB2  SER  64           HB2      SER  64  -7.531  -1.818  -0.225
  456    HB3  SER  64           HB1      SER  64  -6.459  -0.853   0.789
  457    HG   SER  64           HG       SER  64  -6.004   0.120  -1.017
  458    H    GLU  65           HN       GLU  65  -7.571  -4.171  -0.499
  459    HA   GLU  65           HA       GLU  65  -6.301  -6.019  -2.198
  460    HB2  GLU  65           HB2      GLU  65  -9.189  -5.173  -1.952
  461    HB3  GLU  65           HB1      GLU  65  -8.664  -6.444  -3.045
  462    HG2  GLU  65           HG2      GLU  65  -9.499  -7.420  -1.021
  463    HG3  GLU  65           HG1      GLU  65  -7.761  -7.690  -1.127
  464    H    ASP  66           HN       ASP  66  -7.858  -2.919  -2.783
  465    HA   ASP  66           HA       ASP  66  -7.889  -3.016  -5.589
  466    HB2  ASP  66           HB2      ASP  66  -7.677  -0.632  -3.740
  467    HB3  ASP  66           HB1      ASP  66  -8.018  -0.532  -5.465
  468    H    GLU  67           HN       GLU  67  -5.442  -2.179  -3.272
  469    HA   GLU  67           HA       GLU  67  -3.569  -1.066  -5.082
  470    HB2  GLU  67           HB2      GLU  67  -3.274  -2.307  -2.348
  471    HB3  GLU  67           HB1      GLU  67  -1.908  -1.650  -3.239
  472    HG2  GLU  67           HG2      GLU  67  -2.902   0.539  -3.240
  473    HG3  GLU  67           HG1      GLU  67  -4.366  -0.087  -2.485
  474    H    ARG  68           HN       ARG  68  -4.211  -4.321  -3.899
  475    HA   ARG  68           HA       ARG  68  -1.984  -5.609  -5.024
  476    HB2  ARG  68           HB2      ARG  68  -4.735  -6.517  -4.236
  477    HB3  ARG  68           HB1      ARG  68  -3.656  -7.620  -5.077
  478    HG2  ARG  68           HG2      ARG  68  -2.961  -6.213  -2.510
  479    HG3  ARG  68           HG1      ARG  68  -3.631  -7.844  -2.605
  480    HD2  ARG  68           HD2      ARG  68  -1.689  -8.462  -4.057
  481    HD3  ARG  68           HD1      ARG  68  -1.001  -6.876  -3.714
  482    HE   ARG  68           HE       ARG  68  -1.596  -8.125  -1.283
  483   HH11  ARG  68          HH11      ARG  68   0.585  -8.491  -3.982
  484   HH12  ARG  68          HH12      ARG  68   1.830  -9.237  -3.036
  485   HH21  ARG  68          HH21      ARG  68   0.039  -9.106  -0.038
  486   HH22  ARG  68          HH22      ARG  68   1.519  -9.587  -0.797
  487    H    ARG  69           HN       ARG  69  -5.114  -4.707  -6.334
  488    HA   ARG  69           HA       ARG  69  -4.872  -6.075  -8.803
  489    HB2  ARG  69           HB2      ARG  69  -7.032  -5.279  -7.957
  490    HB3  ARG  69           HB1      ARG  69  -6.485  -3.614  -8.099
  491    HG2  ARG  69           HG2      ARG  69  -7.947  -4.216  -9.940
  492    HG3  ARG  69           HG1      ARG  69  -6.318  -3.864 -10.519
  493    HD2  ARG  69           HD2      ARG  69  -7.225  -5.837 -11.624
  494    HD3  ARG  69           HD1      ARG  69  -5.835  -6.256 -10.626
  495    HE   ARG  69           HE       ARG  69  -7.226  -7.443  -9.206
  496   HH11  ARG  69          HH11      ARG  69  -9.123  -5.720 -11.582
  497   HH12  ARG  69          HH12      ARG  69 -10.575  -6.598 -11.238
  498   HH21  ARG  69          HH21      ARG  69  -9.137  -8.593  -8.756
  499   HH22  ARG  69          HH22      ARG  69 -10.584  -8.226  -9.634
  500    H    ALA  70           HN       ALA  70  -3.957  -2.868  -7.691
  501    HA   ALA  70           HA       ALA  70  -3.265  -1.707 -10.141
  502    HB1  ALA  70           HB1      ALA  70  -1.836  -0.211  -8.779
  503    HB2  ALA  70           HB2      ALA  70  -2.143  -1.249  -7.386
  504    HB3  ALA  70           HB3      ALA  70  -3.474  -0.380  -8.149
  505    H    LEU  71           HN       LEU  71  -1.412  -3.644  -7.883
  506    HA   LEU  71           HA       LEU  71   1.071  -3.488  -9.255
  507    HB2  LEU  71           HB2      LEU  71   0.787  -4.087  -6.851
  508    HB3  LEU  71           HB1      LEU  71   0.107  -5.623  -7.348
  509    HG   LEU  71           HG       LEU  71   2.523  -5.668  -6.629
  510   HD11  LEU  71          HD11      LEU  71   1.353  -7.365  -8.112
  511   HD12  LEU  71          HD12      LEU  71   3.115  -7.326  -8.177
  512   HD13  LEU  71          HD13      LEU  71   2.169  -6.583  -9.465
  513   HD21  LEU  71          HD21      LEU  71   2.918  -4.265  -9.269
  514   HD22  LEU  71          HD22      LEU  71   4.194  -4.938  -8.254
  515   HD23  LEU  71          HD23      LEU  71   3.229  -3.581  -7.673
  516    H    LYS  72           HN       LYS  72  -1.513  -5.923  -9.168
  517    HA   LYS  72           HA       LYS  72  -0.293  -7.765 -10.902
  518    HB2  LYS  72           HB2      LYS  72  -2.196  -8.356  -9.473
  519    HB3  LYS  72           HB1      LYS  72  -3.232  -7.276 -10.395
  520    HG2  LYS  72           HG2      LYS  72  -3.786  -9.229 -11.394
  521    HG3  LYS  72           HG1      LYS  72  -2.400  -8.803 -12.398
  522    HD2  LYS  72           HD2      LYS  72  -2.377 -10.659 -10.018
  523    HD3  LYS  72           HD1      LYS  72  -2.291 -11.140 -11.713
  524    HE2  LYS  72           HE2      LYS  72  -0.187  -9.814 -11.906
  525    HE3  LYS  72           HE1      LYS  72  -0.257  -9.545 -10.165
  526    HZ1  LYS  72           HZ1      LYS  72  -0.142 -11.932  -9.825
  527    HZ2  LYS  72           HZ2      LYS  72   1.192 -11.393 -10.713
  528    HZ3  LYS  72           HZ3      LYS  72  -0.076 -12.193 -11.495
  529    H    ARG  73           HN       ARG  73  -2.149  -4.890 -11.457
  530    HA   ARG  73           HA       ARG  73  -2.654  -5.341 -14.222
  531    HB2  ARG  73           HB2      ARG  73  -2.749  -2.902 -12.462
  532    HB3  ARG  73           HB1      ARG  73  -3.003  -2.783 -14.198
  533    HG2  ARG  73           HG2      ARG  73  -4.622  -4.525 -12.353
  534    HG3  ARG  73           HG1      ARG  73  -5.098  -2.914 -12.894
  535    HD2  ARG  73           HD2      ARG  73  -5.032  -3.694 -15.221
  536    HD3  ARG  73           HD1      ARG  73  -4.587  -5.305 -14.663
  537    HE   ARG  73           HE       ARG  73  -6.957  -4.563 -13.384
  538   HH11  ARG  73          HH11      ARG  73  -5.814  -5.321 -16.593
  539   HH12  ARG  73          HH12      ARG  73  -7.346  -5.922 -17.131
  540   HH21  ARG  73          HH21      ARG  73  -8.973  -5.353 -14.090
  541   HH22  ARG  73          HH22      ARG  73  -9.140  -5.941 -15.712
  542    H    ARG  74           HN       ARG  74  -0.056  -3.860 -12.385
  543    HA   ARG  74           HA       ARG  74   1.264  -2.631 -14.568
  544    HB2  ARG  74           HB2      ARG  74   1.727  -2.048 -12.212
  545    HB3  ARG  74           HB1      ARG  74   2.437  -3.638 -11.968
  546    HG2  ARG  74           HG2      ARG  74   4.114  -3.078 -13.729
  547    HG3  ARG  74           HG1      ARG  74   3.460  -1.438 -13.747
  548    HD2  ARG  74           HD2      ARG  74   5.410  -1.508 -12.331
  549    HD3  ARG  74           HD1      ARG  74   3.975  -1.245 -11.341
  550    HE   ARG  74           HE       ARG  74   4.281  -3.923 -11.252
  551   HH11  ARG  74          HH11      ARG  74   6.471  -1.271 -10.662
  552   HH12  ARG  74          HH12      ARG  74   7.417  -2.145  -9.505
  553   HH21  ARG  74          HH21      ARG  74   5.524  -5.075  -9.732
  554   HH22  ARG  74          HH22      ARG  74   6.880  -4.305  -8.977
  555    H    ASN  75           HN       ASN  75   1.596  -5.795 -13.011
  556    HA   ASN  75           HA       ASN  75   3.747  -6.650 -14.679
  557    HB2  ASN  75           HB2      ASN  75   1.854  -8.152 -12.870
  558    HB3  ASN  75           HB1      ASN  75   3.155  -8.936 -13.762
  559   HD21  ASN  75          HD21      ASN  75   5.282  -8.563 -13.173
  560   HD22  ASN  75          HD22      ASN  75   5.709  -7.842 -11.662
  561    H    ALA  76           HN       ALA  76   0.265  -6.802 -14.875
  562    HA   ALA  76           HA       ALA  76   0.343  -8.598 -17.163
  563    HB1  ALA  76           HB1      ALA  76  -2.012  -7.275 -15.818
  564    HB2  ALA  76           HB2      ALA  76  -1.407  -8.896 -15.476
  565    HB3  ALA  76           HB3      ALA  76  -2.090  -8.525 -17.059
  Start of MODEL    3
    1    H1   MET   1           HT1      MET   1   9.512   6.865  16.758
    2    H2   MET   1           HT2      MET   1  10.995   6.098  17.029
    3    H3   MET   1           HT3      MET   1   9.553   5.228  17.184
    4    HA   MET   1           HA       MET   1  10.638   6.385  14.684
    5    HB2  MET   1           HB2      MET   1  10.342   3.508  15.567
    6    HB3  MET   1           HB1      MET   1  10.916   4.039  13.992
    7    HG2  MET   1           HG2      MET   1  12.834   5.114  15.053
    8    HG3  MET   1           HG1      MET   1  12.260   4.578  16.630
    9    HE1  MET   1           HE1      MET   1  11.136   1.668  15.888
   10    HE2  MET   1           HE2      MET   1  12.084   2.007  17.336
   11    HE3  MET   1           HE3      MET   1  12.540   0.674  16.275
   12    H    ASP   2           HN       ASP   2   7.846   5.804  16.370
   13    HA   ASP   2           HA       ASP   2   6.166   4.505  14.564
   14    HB2  ASP   2           HB2      ASP   2   5.481   6.710  16.519
   15    HB3  ASP   2           HB1      ASP   2   4.317   5.642  15.742
   16    H    TRP   3           HN       TRP   3   7.053   7.916  14.826
   17    HA   TRP   3           HA       TRP   3   5.284   8.924  12.900
   18    HB2  TRP   3           HB2      TRP   3   8.050  10.035  13.340
   19    HB3  TRP   3           HB1      TRP   3   6.575  10.904  12.931
   20    HD1  TRP   3           HD1      TRP   3   5.048   9.101  15.405
   21    HE1  TRP   3           HE1      TRP   3   5.304  10.065  17.771
   22    HE3  TRP   3           HE3      TRP   3   9.057  12.170  14.602
   23    HZ2  TRP   3           HZ2      TRP   3   6.975  11.896  19.125
   24    HZ3  TRP   3           HZ3      TRP   3   9.921  13.496  16.486
   25    HH2  TRP   3           HH2      TRP   3   8.901  13.362  18.699
   26    H    ARG   4           HN       ARG   4   8.433   7.401  12.603
   27    HA   ARG   4           HA       ARG   4   8.856   8.045   9.870
   28    HB2  ARG   4           HB2      ARG   4  10.697   7.395  11.342
   29    HB3  ARG   4           HB1      ARG   4   9.993   5.796  11.541
   30    HG2  ARG   4           HG2      ARG   4  10.339   5.327   9.182
   31    HG3  ARG   4           HG1      ARG   4  10.995   6.949   8.944
   32    HD2  ARG   4           HD2      ARG   4  12.161   4.834  10.753
   33    HD3  ARG   4           HD1      ARG   4  12.758   5.248   9.148
   34    HE   ARG   4           HE       ARG   4  13.664   7.201  10.000
   35   HH11  ARG   4          HH11      ARG   4  11.759   5.593  12.447
   36   HH12  ARG   4          HH12      ARG   4  12.392   6.551  13.742
   37   HH21  ARG   4          HH21      ARG   4  14.492   8.459  11.704
   38   HH22  ARG   4          HH22      ARG   4  13.941   8.177  13.322
   39    H    HIS   5           HN       HIS   5   7.437   5.242  11.514
   40    HA   HIS   5           HA       HIS   5   7.116   3.642   9.219
   41    HB2  HIS   5           HB2      HIS   5   5.499   3.691  11.773
   42    HB3  HIS   5           HB1      HIS   5   5.432   2.417  10.562
   43    HD1  HIS   5           HD1      HIS   5   7.451   3.674  13.400
   44    HD2  HIS   5           HD2      HIS   5   7.736   0.752  10.464
   45    HE1  HIS   5           HE1      HIS   5   9.314   2.160  14.141
   46    HE2  HIS   5           HE2      HIS   5   9.388   0.333  12.412
   47    H    LYS   6           HN       LYS   6   5.134   6.179  10.646
   48    HA   LYS   6           HA       LYS   6   3.082   5.726   8.631
   49    HB2  LYS   6           HB2      LYS   6   3.255   7.574  11.007
   50    HB3  LYS   6           HB1      LYS   6   1.981   7.724   9.804
   51    HG2  LYS   6           HG2      LYS   6   1.113   6.475  11.626
   52    HG3  LYS   6           HG1      LYS   6   1.357   5.354  10.285
   53    HD2  LYS   6           HD2      LYS   6   3.441   4.589  11.286
   54    HD3  LYS   6           HD1      LYS   6   3.246   5.745  12.605
   55    HE2  LYS   6           HE2      LYS   6   1.364   3.478  11.963
   56    HE3  LYS   6           HE1      LYS   6   2.564   3.478  13.255
   57    HZ1  LYS   6           HZ1      LYS   6   0.371   4.029  14.092
   58    HZ2  LYS   6           HZ2      LYS   6   0.260   5.340  13.030
   59    HZ3  LYS   6           HZ3      LYS   6   1.413   5.351  14.267
   60    H    ALA   7           HN       ALA   7   5.964   7.237   8.914
   61    HA   ALA   7           HA       ALA   7   5.493   9.678   7.540
   62    HB1  ALA   7           HB1      ALA   7   8.067   8.096   7.652
   63    HB2  ALA   7           HB2      ALA   7   7.544   9.227   8.898
   64    HB3  ALA   7           HB3      ALA   7   7.889   9.806   7.269
   65    H    VAL   8           HN       VAL   8   6.553   6.442   6.672
   66    HA   VAL   8           HA       VAL   8   6.503   7.044   3.868
   67    HB   VAL   8           HB       VAL   8   6.560   4.235   4.913
   68   HG11  VAL   8          HG11      VAL   8   7.899   5.649   2.605
   69   HG12  VAL   8          HG12      VAL   8   6.497   4.583   2.506
   70   HG13  VAL   8          HG13      VAL   8   8.065   3.935   2.989
   71   HG21  VAL   8          HG21      VAL   8   8.140   5.352   6.350
   72   HG22  VAL   8          HG22      VAL   8   8.850   6.206   4.979
   73   HG23  VAL   8          HG23      VAL   8   9.040   4.458   5.124
   74    H    CYS   9           HN       CYS   9   4.268   6.043   6.302
   75    HA   CYS   9           HA       CYS   9   2.321   4.670   4.865
   76    HB2  CYS   9           HB2      CYS   9   2.270   6.481   7.213
   77    HB3  CYS   9           HB1      CYS   9   0.751   6.300   6.370
   78    H    ARG  10           HN       ARG  10   2.192   8.137   5.593
   79    HA   ARG  10           HA       ARG  10   0.363   8.725   3.502
   80    HB2  ARG  10           HB2      ARG  10   1.944  10.353   5.445
   81    HB3  ARG  10           HB1      ARG  10   1.142  11.154   4.103
   82    HG2  ARG  10           HG2      ARG  10  -0.187  11.167   6.173
   83    HG3  ARG  10           HG1      ARG  10  -1.002  10.354   4.837
   84    HD2  ARG  10           HD2      ARG  10   0.642   8.719   6.701
   85    HD3  ARG  10           HD1      ARG  10  -0.923   9.305   7.258
   86    HE   ARG  10           HE       ARG  10  -0.985   8.003   4.686
   87   HH11  ARG  10          HH11      ARG  10  -1.210   7.567   8.142
   88   HH12  ARG  10          HH12      ARG  10  -2.116   6.096   8.022
   89   HH21  ARG  10          HH21      ARG  10  -2.175   6.070   4.528
   90   HH22  ARG  10          HH22      ARG  10  -2.663   5.245   5.971
   91    H    ASP  11           HN       ASP  11   3.788   8.530   3.612
   92    HA   ASP  11           HA       ASP  11   4.211  10.224   1.313
   93    HB2  ASP  11           HB2      ASP  11   6.046   8.563   3.013
   94    HB3  ASP  11           HB1      ASP  11   6.602   9.325   1.529
   95    H    GLU  12           HN       GLU  12   2.740   7.421   1.333
   96    HA   GLU  12           HA       GLU  12   4.316   5.953  -0.577
   97    HB2  GLU  12           HB2      GLU  12   2.492   4.345  -0.517
   98    HB3  GLU  12           HB1      GLU  12   2.909   4.821   1.120
   99    HG2  GLU  12           HG2      GLU  12   0.997   6.398   1.095
  100    HG3  GLU  12           HG1      GLU  12   0.546   5.769  -0.485
  101    H    ASP  13           HN       ASP  13   1.607   5.251  -1.953
  102    HA   ASP  13           HA       ASP  13   1.703   7.530  -3.803
  103    HB2  ASP  13           HB2      ASP  13   2.482   5.248  -4.670
  104    HB3  ASP  13           HB1      ASP  13   0.799   4.741  -4.582
  105    HA   PRO  14           HA       PRO  14  -2.434   8.443  -2.428
  106    HB2  PRO  14           HB2      PRO  14  -3.142   9.792  -4.777
  107    HB3  PRO  14           HB1      PRO  14  -2.423  10.524  -3.341
  108    HG2  PRO  14           HG2      PRO  14  -1.128   9.663  -5.883
  109    HG3  PRO  14           HG1      PRO  14  -0.756  11.050  -4.842
  110    HD2  PRO  14           HD2      PRO  14   0.786   8.859  -4.853
  111    HD3  PRO  14           HD1      PRO  14   0.474   9.760  -3.353
  112    H    GLU  15           HN       GLU  15  -1.553   6.913  -5.422
  113    HA   GLU  15           HA       GLU  15  -4.174   6.127  -6.190
  114    HB2  GLU  15           HB2      GLU  15  -1.486   4.963  -6.988
  115    HB3  GLU  15           HB1      GLU  15  -3.022   4.659  -7.793
  116    HG2  GLU  15           HG2      GLU  15  -1.645   7.326  -7.579
  117    HG3  GLU  15           HG1      GLU  15  -1.685   6.287  -9.003
  118    H    LEU  16           HN       LEU  16  -1.918   4.949  -3.872
  119    HA   LEU  16           HA       LEU  16  -2.868   2.258  -3.785
  120    HB2  LEU  16           HB2      LEU  16  -1.387   3.805  -1.648
  121    HB3  LEU  16           HB1      LEU  16  -1.594   2.066  -1.699
  122    HG   LEU  16           HG       LEU  16   0.322   3.766  -3.133
  123   HD11  LEU  16          HD11      LEU  16   1.591   1.628  -3.257
  124   HD12  LEU  16          HD12      LEU  16   0.242   0.844  -2.415
  125   HD13  LEU  16          HD13      LEU  16   1.157   2.114  -1.606
  126   HD21  LEU  16          HD21      LEU  16   0.387   2.135  -5.025
  127   HD22  LEU  16          HD22      LEU  16  -0.948   3.286  -5.044
  128   HD23  LEU  16          HD23      LEU  16  -1.220   1.624  -4.529
  129    H    PHE  17           HN       PHE  17  -4.194   5.175  -2.808
  130    HA   PHE  17           HA       PHE  17  -5.920   3.887  -0.815
  131    HB2  PHE  17           HB2      PHE  17  -5.560   6.824  -1.459
  132    HB3  PHE  17           HB1      PHE  17  -6.583   6.172  -0.184
  133    HD1  PHE  17           HD1      PHE  17  -5.623   5.270   1.845
  134    HD2  PHE  17           HD2      PHE  17  -3.156   6.853  -1.240
  135    HE1  PHE  17           HE1      PHE  17  -3.722   5.338   3.405
  136    HE2  PHE  17           HE2      PHE  17  -1.250   6.923   0.315
  137    HZ   PHE  17           HZ       PHE  17  -1.532   6.165   2.640
  138    H    PHE  18           HN       PHE  18  -5.812   4.727  -4.069
  139    HA   PHE  18           HA       PHE  18  -8.745   4.576  -4.244
  140    HB2  PHE  18           HB2      PHE  18  -6.936   6.412  -5.823
  141    HB3  PHE  18           HB1      PHE  18  -8.640   6.148  -6.180
  142    HD1  PHE  18           HD1      PHE  18  -6.386   7.226  -3.421
  143    HD2  PHE  18           HD2      PHE  18 -10.229   7.522  -5.225
  144    HE1  PHE  18           HE1      PHE  18  -6.988   9.009  -1.836
  145    HE2  PHE  18           HE2      PHE  18 -10.838   9.306  -3.645
  146    HZ   PHE  18           HZ       PHE  18  -9.217  10.052  -1.948
  147    HA   PRO  19           HA       PRO  19  -7.610   1.066  -6.801
  148    HB2  PRO  19           HB2      PRO  19 -10.455   1.241  -7.614
  149    HB3  PRO  19           HB1      PRO  19  -9.558  -0.123  -6.942
  150    HG2  PRO  19           HG2      PRO  19 -11.331   1.216  -5.465
  151    HG3  PRO  19           HG1      PRO  19  -9.822   0.606  -4.760
  152    HD2  PRO  19           HD2      PRO  19 -10.538   3.389  -5.591
  153    HD3  PRO  19           HD1      PRO  19  -9.619   2.835  -4.176
  154    H    VAL  20           HN       VAL  20  -6.871   0.957  -8.849
  155    HA   VAL  20           HA       VAL  20  -7.257   3.185 -10.619
  156    HB   VAL  20           HB       VAL  20  -5.816   0.595 -11.184
  157   HG11  VAL  20          HG11      VAL  20  -5.636   3.330 -12.440
  158   HG12  VAL  20          HG12      VAL  20  -6.274   1.865 -13.185
  159   HG13  VAL  20          HG13      VAL  20  -4.559   1.981 -12.797
  160   HG21  VAL  20          HG21      VAL  20  -4.962   1.647  -9.154
  161   HG22  VAL  20          HG22      VAL  20  -4.735   3.160 -10.031
  162   HG23  VAL  20          HG23      VAL  20  -3.789   1.736 -10.467
  163    H    GLY  21           HN       GLY  21  -8.003   3.053 -12.783
  164    HA2  GLY  21           HA2      GLY  21  -9.234   0.800 -13.921
  165    HA3  GLY  21           HA1      GLY  21 -10.462   1.735 -13.084
  166    H    ASN  22           HN       ASN  22  -8.455   4.098 -13.939
  167    HA   ASN  22           HA       ASN  22  -9.617   4.360 -16.626
  168    HB2  ASN  22           HB2      ASN  22  -9.206   6.539 -14.574
  169    HB3  ASN  22           HB1      ASN  22  -9.788   6.788 -16.217
  170   HD21  ASN  22          HD21      ASN  22 -10.538   5.550 -13.063
  171   HD22  ASN  22          HD22      ASN  22 -12.241   5.389 -13.307
  172    H    SER  23           HN       SER  23  -6.715   4.375 -14.785
  173    HA   SER  23           HA       SER  23  -5.302   5.360 -17.165
  174    HB2  SER  23           HB2      SER  23  -3.713   6.583 -15.722
  175    HB3  SER  23           HB1      SER  23  -5.356   7.212 -15.574
  176    HG   SER  23           HG       SER  23  -4.190   6.864 -13.557
  177    H    GLY  24           HN       GLY  24  -3.156   4.667 -17.413
  178    HA2  GLY  24           HA2      GLY  24  -2.639   2.047 -16.261
  179    HA3  GLY  24           HA1      GLY  24  -1.767   2.788 -17.598
  180    HA   PRO  25           HA       PRO  25   1.343   4.760 -15.080
  181    HB2  PRO  25           HB2      PRO  25  -0.295   7.191 -14.503
  182    HB3  PRO  25           HB1      PRO  25   1.378   7.074 -15.064
  183    HG2  PRO  25           HG2      PRO  25  -0.566   7.720 -16.757
  184    HG3  PRO  25           HG1      PRO  25   0.751   6.643 -17.257
  185    HD2  PRO  25           HD2      PRO  25  -2.072   5.989 -16.560
  186    HD3  PRO  25           HD1      PRO  25  -1.006   5.241 -17.764
  187    H    ALA  26           HN       ALA  26  -1.913   4.817 -13.861
  188    HA   ALA  26           HA       ALA  26  -1.356   5.348 -11.156
  189    HB1  ALA  26           HB1      ALA  26  -3.648   4.933 -12.504
  190    HB2  ALA  26           HB2      ALA  26  -3.521   4.856 -10.745
  191    HB3  ALA  26           HB3      ALA  26  -3.478   3.370 -11.697
  192    H    LEU  27           HN       LEU  27  -1.151   2.444 -13.053
  193    HA   LEU  27           HA       LEU  27  -0.788   0.644 -10.880
  194    HB2  LEU  27           HB2      LEU  27   0.058   0.447 -13.766
  195    HB3  LEU  27           HB1      LEU  27   0.109  -0.880 -12.625
  196    HG   LEU  27           HG       LEU  27  -1.840  -1.319 -13.786
  197   HD11  LEU  27          HD11      LEU  27  -2.338  -1.322 -11.436
  198   HD12  LEU  27          HD12      LEU  27  -3.736  -0.725 -12.329
  199   HD13  LEU  27          HD13      LEU  27  -2.689   0.405 -11.468
  200   HD21  LEU  27          HD21      LEU  27  -2.555   1.606 -13.718
  201   HD22  LEU  27          HD22      LEU  27  -3.426   0.322 -14.553
  202   HD23  LEU  27          HD23      LEU  27  -1.807   0.776 -15.081
  203    H    ALA  28           HN       ALA  28   1.371   2.431 -13.008
  204    HA   ALA  28           HA       ALA  28   3.757   1.366 -11.875
  205    HB1  ALA  28           HB1      ALA  28   3.724   2.338 -14.126
  206    HB2  ALA  28           HB2      ALA  28   4.909   3.143 -13.098
  207    HB3  ALA  28           HB3      ALA  28   3.363   3.919 -13.435
  208    H    GLN  29           HN       GLN  29   1.692   4.070 -11.234
  209    HA   GLN  29           HA       GLN  29   3.443   5.425  -9.408
  210    HB2  GLN  29           HB2      GLN  29   0.462   5.545  -9.939
  211    HB3  GLN  29           HB1      GLN  29   1.225   6.514  -8.682
  212    HG2  GLN  29           HG2      GLN  29   1.894   6.607 -11.614
  213    HG3  GLN  29           HG1      GLN  29   0.910   7.779 -10.739
  214   HE21  GLN  29          HE21      GLN  29   1.898   9.198  -9.302
  215   HE22  GLN  29          HE22      GLN  29   3.602   9.478  -9.315
  216    H    ILE  30           HN       ILE  30   0.606   3.379  -9.057
  217    HA   ILE  30           HA       ILE  30   0.632   3.092  -6.325
  218    HB   ILE  30           HB       ILE  30  -0.382   1.324  -8.530
  219   HG12  ILE  30          HG12      ILE  30  -1.753   3.094  -6.504
  220   HG13  ILE  30          HG11      ILE  30  -1.582   3.400  -8.223
  221   HG21  ILE  30          HG21      ILE  30  -0.469  -0.383  -7.142
  222   HG22  ILE  30          HG22      ILE  30  -1.671   0.520  -6.216
  223   HG23  ILE  30          HG23      ILE  30   0.033   0.617  -5.773
  224   HD11  ILE  30          HD11      ILE  30  -3.809   2.660  -7.729
  225   HD12  ILE  30          HD12      ILE  30  -3.184   1.207  -6.947
  226   HD13  ILE  30          HD13      ILE  30  -2.970   1.437  -8.681
  227    H    ALA  31           HN       ALA  31   2.191   1.191  -8.805
  228    HA   ALA  31           HA       ALA  31   3.177  -0.867  -7.178
  229    HB1  ALA  31           HB1      ALA  31   4.749  -1.314  -8.994
  230    HB2  ALA  31           HB2      ALA  31   4.361   0.244  -9.723
  231    HB3  ALA  31           HB3      ALA  31   3.128  -1.013  -9.620
  232    H    ASP  32           HN       ASP  32   4.173   2.395  -7.644
  233    HA   ASP  32           HA       ASP  32   6.907   2.039  -6.873
  234    HB2  ASP  32           HB2      ASP  32   5.189   4.507  -7.134
  235    HB3  ASP  32           HB1      ASP  32   6.887   4.554  -6.667
  236    H    ALA  33           HN       ALA  33   3.950   3.143  -5.343
  237    HA   ALA  33           HA       ALA  33   5.166   3.714  -2.852
  238    HB1  ALA  33           HB1      ALA  33   2.381   3.336  -3.795
  239    HB2  ALA  33           HB2      ALA  33   3.136   4.698  -2.976
  240    HB3  ALA  33           HB3      ALA  33   2.701   3.261  -2.062
  241    H    LYS  34           HN       LYS  34   3.839   0.812  -4.301
  242    HA   LYS  34           HA       LYS  34   3.743  -0.826  -2.038
  243    HB2  LYS  34           HB2      LYS  34   2.705  -1.774  -3.871
  244    HB3  LYS  34           HB1      LYS  34   3.987  -1.302  -4.976
  245    HG2  LYS  34           HG2      LYS  34   3.862  -3.730  -4.653
  246    HG3  LYS  34           HG1      LYS  34   5.411  -3.063  -4.140
  247    HD2  LYS  34           HD2      LYS  34   4.814  -4.586  -2.453
  248    HD3  LYS  34           HD1      LYS  34   4.420  -2.998  -1.794
  249    HE2  LYS  34           HE2      LYS  34   2.086  -3.308  -2.360
  250    HE3  LYS  34           HE1      LYS  34   2.454  -4.859  -3.116
  251    HZ1  LYS  34           HZ1      LYS  34   1.599  -5.253  -0.939
  252    HZ2  LYS  34           HZ2      LYS  34   2.699  -4.179  -0.237
  253    HZ3  LYS  34           HZ3      LYS  34   3.249  -5.627  -0.916
  254    H    LEU  35           HN       LEU  35   6.437  -0.234  -4.323
  255    HA   LEU  35           HA       LEU  35   8.217  -2.053  -3.078
  256    HB2  LEU  35           HB2      LEU  35   8.642   0.336  -4.851
  257    HB3  LEU  35           HB1      LEU  35  10.001  -0.532  -4.162
  258    HG   LEU  35           HG       LEU  35   9.671  -1.357  -6.372
  259   HD11  LEU  35          HD11      LEU  35   9.311  -3.697  -5.984
  260   HD12  LEU  35          HD12      LEU  35   8.432  -3.359  -4.494
  261   HD13  LEU  35          HD13      LEU  35  10.159  -3.020  -4.594
  262   HD21  LEU  35          HD21      LEU  35   7.483  -2.385  -7.019
  263   HD22  LEU  35          HD22      LEU  35   7.453  -0.634  -6.820
  264   HD23  LEU  35          HD23      LEU  35   6.793  -1.673  -5.559
  265    H    VAL  36           HN       VAL  36   7.448   1.301  -2.570
  266    HA   VAL  36           HA       VAL  36   9.528   1.846  -0.706
  267    HB   VAL  36           HB       VAL  36   6.868   3.253  -0.998
  268   HG11  VAL  36          HG11      VAL  36   8.258   3.614   1.116
  269   HG12  VAL  36          HG12      VAL  36   7.776   5.046   0.207
  270   HG13  VAL  36          HG13      VAL  36   9.420   4.423   0.066
  271   HG21  VAL  36          HG21      VAL  36   7.866   4.691  -2.563
  272   HG22  VAL  36          HG22      VAL  36   8.373   3.074  -3.054
  273   HG23  VAL  36          HG23      VAL  36   9.490   4.120  -2.179
  274    H    CYS  37           HN       CYS  37   6.114   0.935  -0.306
  275    HA   CYS  37           HA       CYS  37   6.086   1.010   2.516
  276    HB2  CYS  37           HB2      CYS  37   4.304   0.144   0.368
  277    HB3  CYS  37           HB1      CYS  37   4.170  -0.864   1.804
  278    H    ASN  38           HN       ASN  38   7.563  -1.184   0.378
  279    HA   ASN  38           HA       ASN  38   7.318  -3.510   2.054
  280    HB2  ASN  38           HB2      ASN  38   8.873  -2.926  -0.454
  281    HB3  ASN  38           HB1      ASN  38   9.043  -4.445   0.420
  282   HD21  ASN  38          HD21      ASN  38   8.262  -5.496  -1.462
  283   HD22  ASN  38          HD22      ASN  38   6.571  -5.535  -1.812
  284    H    ARG  39           HN       ARG  39   9.667  -0.923   1.700
  285    HA   ARG  39           HA       ARG  39  11.678  -2.406   3.184
  286    HB2  ARG  39           HB2      ARG  39  11.689   0.489   2.319
  287    HB3  ARG  39           HB1      ARG  39  13.065  -0.420   2.926
  288    HG2  ARG  39           HG2      ARG  39  11.575  -1.064   0.390
  289    HG3  ARG  39           HG1      ARG  39  13.071  -0.131   0.473
  290    HD2  ARG  39           HD2      ARG  39  13.693  -2.347  -0.075
  291    HD3  ARG  39           HD1      ARG  39  14.110  -2.118   1.623
  292    HE   ARG  39           HE       ARG  39  11.517  -3.231   1.366
  293   HH11  ARG  39          HH11      ARG  39  14.899  -4.055   1.118
  294   HH12  ARG  39          HH12      ARG  39  14.650  -5.723   1.511
  295   HH21  ARG  39          HH21      ARG  39  11.187  -5.424   1.883
  296   HH22  ARG  39          HH22      ARG  39  12.542  -6.501   1.945
  297    H    CYS  40           HN       CYS  40   8.964  -0.646   3.987
  298    HA   CYS  40           HA       CYS  40   9.938   0.610   6.372
  299    HB2  CYS  40           HB2      CYS  40   8.095   1.689   5.463
  300    HB3  CYS  40           HB1      CYS  40   7.266   0.187   5.094
  301    HA   PRO  41           HA       PRO  41  10.014  -2.890   9.051
  302    HB2  PRO  41           HB2      PRO  41   8.957  -1.078  11.155
  303    HB3  PRO  41           HB1      PRO  41  10.417  -2.066  11.145
  304    HG2  PRO  41           HG2      PRO  41  10.548   0.580  10.834
  305    HG3  PRO  41           HG1      PRO  41  11.628  -0.505   9.941
  306    HD2  PRO  41           HD2      PRO  41   9.189   0.944   8.996
  307    HD3  PRO  41           HD1      PRO  41  10.720   0.639   8.150
  308    H    VAL  42           HN       VAL  42   7.387  -1.192  10.692
  309    HA   VAL  42           HA       VAL  42   5.092  -2.114   9.667
  310    HB   VAL  42           HB       VAL  42   5.912  -4.412   9.611
  311   HG11  VAL  42          HG11      VAL  42   6.237  -4.136  12.596
  312   HG12  VAL  42          HG12      VAL  42   7.540  -4.281  11.416
  313   HG13  VAL  42          HG13      VAL  42   6.429  -5.626  11.675
  314   HG21  VAL  42          HG21      VAL  42   4.108  -5.508  10.854
  315   HG22  VAL  42          HG22      VAL  42   3.535  -4.075  10.001
  316   HG23  VAL  42          HG23      VAL  42   3.814  -4.011  11.740
  317    H    THR  43           HN       THR  43   3.421  -1.445  10.924
  318    HA   THR  43           HA       THR  43   3.905  -1.087  13.804
  319    HB   THR  43           HB       THR  43   2.732   1.066  13.759
  320    HG1  THR  43           HG1      THR  43   2.621   2.013  11.514
  321   HG21  THR  43          HG21      THR  43   4.500   2.395  12.795
  322   HG22  THR  43          HG22      THR  43   5.083   1.005  11.880
  323   HG23  THR  43          HG23      THR  43   5.178   1.007  13.641
  324    H    THR  44           HN       THR  44   1.875  -0.511  14.975
  325    HA   THR  44           HA       THR  44  -0.070  -2.472  14.676
  326    HB   THR  44           HB       THR  44  -0.425   0.238  15.984
  327    HG1  THR  44           HG1      THR  44   0.330  -2.215  17.213
  328   HG21  THR  44          HG21      THR  44  -2.126  -0.895  17.343
  329   HG22  THR  44          HG22      THR  44  -1.882  -2.373  16.412
  330   HG23  THR  44          HG23      THR  44  -2.540  -0.937  15.629
  331    H    GLU  45           HN       GLU  45   0.337   0.636  13.168
  332    HA   GLU  45           HA       GLU  45  -2.289   1.112  12.286
  333    HB2  GLU  45           HB2      GLU  45  -0.499   2.786  12.125
  334    HB3  GLU  45           HB1      GLU  45   0.332   1.796  10.933
  335    HG2  GLU  45           HG2      GLU  45  -0.849   3.627   9.874
  336    HG3  GLU  45           HG1      GLU  45  -1.531   2.076   9.388
  337    H    CYS  46           HN       CYS  46   0.375  -0.703  10.833
  338    HA   CYS  46           HA       CYS  46  -1.026  -1.421   8.471
  339    HB2  CYS  46           HB2      CYS  46   1.593  -1.686   9.468
  340    HB3  CYS  46           HB1      CYS  46   1.030  -3.324   9.156
  341    H    LEU  47           HN       LEU  47  -0.406  -3.123  11.536
  342    HA   LEU  47           HA       LEU  47  -1.655  -5.545  10.791
  343    HB2  LEU  47           HB2      LEU  47  -1.189  -4.300  13.497
  344    HB3  LEU  47           HB1      LEU  47  -1.885  -5.894  13.286
  345    HG   LEU  47           HG       LEU  47   0.233  -6.510  12.024
  346   HD11  LEU  47          HD11      LEU  47   1.076  -4.326  11.522
  347   HD12  LEU  47          HD12      LEU  47   2.212  -5.127  12.608
  348   HD13  LEU  47          HD13      LEU  47   1.110  -3.899  13.232
  349   HD21  LEU  47          HD21      LEU  47   0.431  -5.763  14.938
  350   HD22  LEU  47          HD22      LEU  47   1.494  -6.887  14.091
  351   HD23  LEU  47          HD23      LEU  47  -0.216  -7.269  14.290
  352    H    SER  48           HN       SER  48  -2.832  -2.714  12.547
  353    HA   SER  48           HA       SER  48  -5.443  -3.629  12.990
  354    HB2  SER  48           HB2      SER  48  -4.524  -1.686  14.169
  355    HB3  SER  48           HB1      SER  48  -4.461  -0.786  12.653
  356    HG   SER  48           HG       SER  48  -6.389  -0.633  14.226
  357    H    TRP  49           HN       TRP  49  -3.947  -2.069  10.266
  358    HA   TRP  49           HA       TRP  49  -6.255  -1.380   8.824
  359    HB2  TRP  49           HB2      TRP  49  -4.017  -0.538   8.243
  360    HB3  TRP  49           HB1      TRP  49  -3.528  -2.161   7.766
  361    HD1  TRP  49           HD1      TRP  49  -4.384  -3.067   5.419
  362    HE1  TRP  49           HE1      TRP  49  -5.432  -1.892   3.381
  363    HE3  TRP  49           HE3      TRP  49  -5.598   1.400   7.591
  364    HZ2  TRP  49           HZ2      TRP  49  -6.615   0.598   2.776
  365    HZ3  TRP  49           HZ3      TRP  49  -6.685   3.125   6.213
  366    HH2  TRP  49           HH2      TRP  49  -7.183   2.731   3.856
  367    H    ALA  50           HN       ALA  50  -4.250  -4.312   8.755
  368    HA   ALA  50           HA       ALA  50  -5.748  -5.668   6.785
  369    HB1  ALA  50           HB1      ALA  50  -4.609  -7.682   7.563
  370    HB2  ALA  50           HB2      ALA  50  -4.070  -6.830   9.010
  371    HB3  ALA  50           HB3      ALA  50  -3.479  -6.336   7.424
  372    H    LEU  51           HN       LEU  51  -6.002  -5.508  10.298
  373    HA   LEU  51           HA       LEU  51  -8.023  -7.486  10.537
  374    HB2  LEU  51           HB2      LEU  51  -7.263  -5.231  12.388
  375    HB3  LEU  51           HB1      LEU  51  -8.361  -6.532  12.804
  376    HG   LEU  51           HG       LEU  51  -5.429  -6.831  12.155
  377   HD11  LEU  51          HD11      LEU  51  -6.934  -7.130  14.749
  378   HD12  LEU  51          HD12      LEU  51  -5.828  -5.821  14.334
  379   HD13  LEU  51          HD13      LEU  51  -5.220  -7.469  14.505
  380   HD21  LEU  51          HD21      LEU  51  -7.468  -8.897  12.974
  381   HD22  LEU  51          HD22      LEU  51  -5.735  -9.172  12.795
  382   HD23  LEU  51          HD23      LEU  51  -6.712  -8.755  11.387
  383    H    ASN  52           HN       ASN  52  -8.028  -4.047  10.010
  384    HA   ASN  52           HA       ASN  52 -10.809  -3.657  10.469
  385    HB2  ASN  52           HB2      ASN  52  -8.720  -1.996   9.072
  386    HB3  ASN  52           HB1      ASN  52 -10.398  -1.483   9.209
  387   HD21  ASN  52          HD21      ASN  52  -9.803   0.313  10.428
  388   HD22  ASN  52          HD22      ASN  52  -9.330   0.176  12.084
  389    H    THR  53           HN       THR  53  -8.897  -4.597   7.738
  390    HA   THR  53           HA       THR  53 -11.256  -4.471   5.990
  391    HB   THR  53           HB       THR  53  -9.764  -4.648   4.112
  392    HG1  THR  53           HG1      THR  53  -7.429  -4.739   4.603
  393   HG21  THR  53          HG21      THR  53  -8.685  -2.727   6.175
  394   HG22  THR  53          HG22      THR  53 -10.001  -2.417   5.041
  395   HG23  THR  53          HG23      THR  53  -8.357  -2.644   4.445
  396    H    GLY  54           HN       GLY  54  -9.708  -6.618   7.966
  397    HA2  GLY  54           HA2      GLY  54  -9.870  -8.891   8.224
  398    HA3  GLY  54           HA1      GLY  54 -11.165  -8.843   7.038
  399    H    GLN  55           HN       GLN  55  -7.811  -7.854   6.477
  400    HA   GLN  55           HA       GLN  55  -7.686  -9.840   4.334
  401    HB2  GLN  55           HB2      GLN  55  -5.957  -7.457   4.998
  402    HB3  GLN  55           HB1      GLN  55  -5.585  -8.589   3.706
  403    HG2  GLN  55           HG2      GLN  55  -7.641  -8.023   2.570
  404    HG3  GLN  55           HG1      GLN  55  -8.105  -6.954   3.895
  405   HE21  GLN  55          HE21      GLN  55  -5.976  -7.407   1.181
  406   HE22  GLN  55          HE22      GLN  55  -5.439  -5.769   1.071
  407    H    ASP  56           HN       ASP  56  -6.485 -11.621   4.427
  408    HA   ASP  56           HA       ASP  56  -5.072 -12.263   6.850
  409    HB2  ASP  56           HB2      ASP  56  -5.362 -13.819   4.271
  410    HB3  ASP  56           HB1      ASP  56  -4.679 -14.448   5.766
  411    H    SER  57           HN       SER  57  -3.198 -11.131   7.085
  412    HA   SER  57           HA       SER  57  -1.030 -11.816   5.301
  413    HB2  SER  57           HB2      SER  57  -1.854  -8.925   5.659
  414    HB3  SER  57           HB1      SER  57  -0.381  -9.473   4.859
  415    HG   SER  57           HG       SER  57  -1.896 -10.699   3.457
  416    H    GLY  58           HN       GLY  58   1.003 -11.550   6.209
  417    HA2  GLY  58           HA2      GLY  58   1.167 -10.356   8.880
  418    HA3  GLY  58           HA1      GLY  58   1.600 -12.050   8.706
  419    H    VAL  59           HN       VAL  59   2.335 -10.155   5.975
  420    HA   VAL  59           HA       VAL  59   5.178 -10.379   6.564
  421    HB   VAL  59           HB       VAL  59   3.850  -9.442   4.017
  422   HG11  VAL  59          HG11      VAL  59   6.665 -10.302   4.657
  423   HG12  VAL  59          HG12      VAL  59   6.122  -8.720   4.094
  424   HG13  VAL  59          HG13      VAL  59   6.043 -10.114   3.017
  425   HG21  VAL  59          HG21      VAL  59   4.253 -11.709   3.170
  426   HG22  VAL  59          HG22      VAL  59   3.139 -11.707   4.537
  427   HG23  VAL  59          HG23      VAL  59   4.818 -12.198   4.769
  428    H    TRP  60           HN       TRP  60   6.624  -8.554   6.062
  429    HA   TRP  60           HA       TRP  60   5.604  -6.121   7.240
  430    HB2  TRP  60           HB2      TRP  60   8.371  -6.766   6.196
  431    HB3  TRP  60           HB1      TRP  60   7.936  -5.359   7.161
  432    HD1  TRP  60           HD1      TRP  60   7.692  -5.688   9.765
  433    HE1  TRP  60           HE1      TRP  60   8.272  -7.626  11.357
  434    HE3  TRP  60           HE3      TRP  60   8.423  -9.383   6.310
  435    HZ2  TRP  60           HZ2      TRP  60   8.949 -10.360  11.171
  436    HZ3  TRP  60           HZ3      TRP  60   9.035 -11.632   7.099
  437    HH2  TRP  60           HH2      TRP  60   9.292 -12.109   9.480
  438    H    GLY  61           HN       GLY  61   4.284  -5.067   5.825
  439    HA2  GLY  61           HA2      GLY  61   5.535  -3.620   3.693
  440    HA3  GLY  61           HA1      GLY  61   4.447  -4.863   3.094
  441    H    GLY  62           HN       GLY  62   2.197  -4.718   3.602
  442    HA2  GLY  62           HA2      GLY  62   0.375  -3.518   4.667
  443    HA3  GLY  62           HA1      GLY  62   1.353  -2.064   4.568
  444    H    MET  63           HN       MET  63  -0.611  -4.331   2.742
  445    HA   MET  63           HA       MET  63  -1.101  -2.201   0.796
  446    HB2  MET  63           HB2      MET  63   0.641  -3.582  -0.202
  447    HB3  MET  63           HB1      MET  63  -0.324  -5.027   0.064
  448    HG2  MET  63           HG2      MET  63  -2.067  -4.006  -1.430
  449    HG3  MET  63           HG1      MET  63  -0.882  -2.762  -1.820
  450    HE1  MET  63           HE1      MET  63  -1.636  -6.615  -1.879
  451    HE2  MET  63           HE2      MET  63  -0.047  -6.546  -1.117
  452    HE3  MET  63           HE3      MET  63  -0.223  -7.238  -2.728
  453    H    SER  64           HN       SER  64  -3.164  -2.086   0.093
  454    HA   SER  64           HA       SER  64  -5.129  -3.809   1.291
  455    HB2  SER  64           HB2      SER  64  -6.761  -2.248   0.343
  456    HB3  SER  64           HB1      SER  64  -5.494  -1.365   1.192
  457    HG   SER  64           HG       SER  64  -5.169  -0.357  -0.609
  458    H    GLU  65           HN       GLU  65  -6.931  -4.600  -0.089
  459    HA   GLU  65           HA       GLU  65  -6.003  -6.410  -2.007
  460    HB2  GLU  65           HB2      GLU  65  -8.817  -5.364  -1.640
  461    HB3  GLU  65           HB1      GLU  65  -8.375  -6.813  -2.532
  462    HG2  GLU  65           HG2      GLU  65  -7.503  -7.808  -0.473
  463    HG3  GLU  65           HG1      GLU  65  -7.977  -6.361   0.416
  464    H    ASP  66           HN       ASP  66  -7.549  -3.244  -2.383
  465    HA   ASP  66           HA       ASP  66  -7.766  -3.284  -5.183
  466    HB2  ASP  66           HB2      ASP  66  -7.455  -0.936  -3.303
  467    HB3  ASP  66           HB1      ASP  66  -7.909  -0.805  -4.999
  468    H    GLU  67           HN       GLU  67  -5.210  -2.309  -3.025
  469    HA   GLU  67           HA       GLU  67  -3.479  -1.189  -4.945
  470    HB2  GLU  67           HB2      GLU  67  -2.962  -2.439  -2.248
  471    HB3  GLU  67           HB1      GLU  67  -1.689  -1.715  -3.221
  472    HG2  GLU  67           HG2      GLU  67  -2.711   0.431  -3.093
  473    HG3  GLU  67           HG1      GLU  67  -4.155  -0.240  -2.338
  474    H    ARG  68           HN       ARG  68  -3.961  -4.467  -3.756
  475    HA   ARG  68           HA       ARG  68  -1.758  -5.684  -4.994
  476    HB2  ARG  68           HB2      ARG  68  -3.046  -6.862  -3.310
  477    HB3  ARG  68           HB1      ARG  68  -4.488  -6.796  -4.312
  478    HG2  ARG  68           HG2      ARG  68  -3.492  -9.008  -4.357
  479    HG3  ARG  68           HG1      ARG  68  -3.425  -8.257  -5.952
  480    HD2  ARG  68           HD2      ARG  68  -1.087  -7.609  -5.517
  481    HD3  ARG  68           HD1      ARG  68  -1.167  -8.432  -3.959
  482    HE   ARG  68           HE       ARG  68  -1.900 -10.254  -5.945
  483   HH11  ARG  68          HH11      ARG  68   0.917  -8.473  -4.910
  484   HH12  ARG  68          HH12      ARG  68   2.036  -9.659  -5.492
  485   HH21  ARG  68          HH21      ARG  68  -0.429 -11.817  -6.711
  486   HH22  ARG  68          HH22      ARG  68   1.272 -11.556  -6.514
  487    H    ARG  69           HN       ARG  69  -4.970  -4.851  -6.157
  488    HA   ARG  69           HA       ARG  69  -4.801  -6.200  -8.643
  489    HB2  ARG  69           HB2      ARG  69  -6.385  -3.702  -8.008
  490    HB3  ARG  69           HB1      ARG  69  -6.693  -4.838  -9.314
  491    HG2  ARG  69           HG2      ARG  69  -6.849  -5.546  -6.395
  492    HG3  ARG  69           HG1      ARG  69  -8.231  -5.052  -7.375
  493    HD2  ARG  69           HD2      ARG  69  -7.908  -6.951  -8.842
  494    HD3  ARG  69           HD1      ARG  69  -6.458  -7.420  -7.958
  495    HE   ARG  69           HE       ARG  69  -8.313  -7.446  -6.026
  496   HH11  ARG  69          HH11      ARG  69  -8.313  -8.818  -9.236
  497   HH12  ARG  69          HH12      ARG  69  -9.342 -10.142  -8.804
  498   HH21  ARG  69          HH21      ARG  69  -9.664  -9.185  -5.459
  499   HH22  ARG  69          HH22      ARG  69 -10.109 -10.350  -6.661
  500    H    ALA  70           HN       ALA  70  -3.906  -2.995  -7.529
  501    HA   ALA  70           HA       ALA  70  -3.238  -1.855 -10.023
  502    HB1  ALA  70           HB1      ALA  70  -1.950  -0.236  -8.648
  503    HB2  ALA  70           HB2      ALA  70  -2.314  -1.225  -7.233
  504    HB3  ALA  70           HB3      ALA  70  -3.621  -0.454  -8.130
  505    H    LEU  71           HN       LEU  71  -1.487  -3.832  -7.751
  506    HA   LEU  71           HA       LEU  71   1.114  -3.423  -8.852
  507    HB2  LEU  71           HB2      LEU  71   0.542  -4.227  -6.517
  508    HB3  LEU  71           HB1      LEU  71   0.182  -5.787  -7.230
  509    HG   LEU  71           HG       LEU  71   2.876  -4.447  -7.450
  510   HD11  LEU  71          HD11      LEU  71   3.620  -5.937  -5.687
  511   HD12  LEU  71          HD12      LEU  71   1.987  -6.579  -5.513
  512   HD13  LEU  71          HD13      LEU  71   2.321  -4.896  -5.103
  513   HD21  LEU  71          HD21      LEU  71   2.698  -6.031  -9.162
  514   HD22  LEU  71          HD22      LEU  71   1.801  -7.161  -8.148
  515   HD23  LEU  71          HD23      LEU  71   3.520  -6.891  -7.861
  516    H    LYS  72           HN       LYS  72  -1.299  -6.027  -9.169
  517    HA   LYS  72           HA       LYS  72   0.248  -7.650 -10.868
  518    HB2  LYS  72           HB2      LYS  72  -1.799  -8.845 -11.355
  519    HB3  LYS  72           HB1      LYS  72  -1.737  -8.459  -9.642
  520    HG2  LYS  72           HG2      LYS  72  -3.334  -6.721  -9.888
  521    HG3  LYS  72           HG1      LYS  72  -3.247  -6.809 -11.649
  522    HD2  LYS  72           HD2      LYS  72  -4.161  -9.096 -11.554
  523    HD3  LYS  72           HD1      LYS  72  -4.300  -8.949  -9.801
  524    HE2  LYS  72           HE2      LYS  72  -5.879  -7.141 -10.036
  525    HE3  LYS  72           HE1      LYS  72  -5.664  -7.134 -11.785
  526    HZ1  LYS  72           HZ1      LYS  72  -6.648  -9.299 -11.923
  527    HZ2  LYS  72           HZ2      LYS  72  -7.694  -8.292 -11.054
  528    HZ3  LYS  72           HZ3      LYS  72  -6.742  -9.427 -10.238
  529    H    ARG  73           HN       ARG  73  -1.898  -4.982 -11.477
  530    HA   ARG  73           HA       ARG  73  -2.035  -5.331 -14.301
  531    HB2  ARG  73           HB2      ARG  73  -2.609  -2.957 -12.529
  532    HB3  ARG  73           HB1      ARG  73  -2.856  -2.942 -14.270
  533    HG2  ARG  73           HG2      ARG  73  -4.196  -4.837 -12.352
  534    HG3  ARG  73           HG1      ARG  73  -4.923  -3.374 -13.016
  535    HD2  ARG  73           HD2      ARG  73  -4.663  -4.286 -15.279
  536    HD3  ARG  73           HD1      ARG  73  -3.956  -5.750 -14.601
  537    HE   ARG  73           HE       ARG  73  -6.055  -6.430 -13.904
  538   HH11  ARG  73          HH11      ARG  73  -6.208  -3.181 -15.180
  539   HH12  ARG  73          HH12      ARG  73  -7.935  -3.174 -15.286
  540   HH21  ARG  73          HH21      ARG  73  -8.325  -6.415 -14.042
  541   HH22  ARG  73          HH22      ARG  73  -9.138  -5.007 -14.639
  542    H    ARG  74           HN       ARG  74   0.105  -3.606 -12.124
  543    HA   ARG  74           HA       ARG  74   1.433  -2.057 -14.090
  544    HB2  ARG  74           HB2      ARG  74   1.467  -1.717 -11.564
  545    HB3  ARG  74           HB1      ARG  74   2.639  -3.023 -11.498
  546    HG2  ARG  74           HG2      ARG  74   3.108  -0.659 -13.265
  547    HG3  ARG  74           HG1      ARG  74   3.467  -0.580 -11.540
  548    HD2  ARG  74           HD2      ARG  74   4.618  -2.515 -13.546
  549    HD3  ARG  74           HD1      ARG  74   5.461  -1.191 -12.748
  550    HE   ARG  74           HE       ARG  74   4.473  -2.832 -10.747
  551   HH11  ARG  74          HH11      ARG  74   6.732  -3.075 -13.395
  552   HH12  ARG  74          HH12      ARG  74   7.715  -4.266 -12.612
  553   HH21  ARG  74          HH21      ARG  74   5.765  -4.397  -9.713
  554   HH22  ARG  74          HH22      ARG  74   7.167  -5.016 -10.521
  555    H    ASN  75           HN       ASN  75   2.095  -5.223 -12.650
  556    HA   ASN  75           HA       ASN  75   4.538  -5.643 -14.045
  557    HB2  ASN  75           HB2      ASN  75   2.651  -7.591 -12.705
  558    HB3  ASN  75           HB1      ASN  75   4.239  -8.022 -13.336
  559   HD21  ASN  75          HD21      ASN  75   4.999  -8.630 -11.325
  560   HD22  ASN  75          HD22      ASN  75   5.372  -7.481 -10.089
  561    H    ALA  76           HN       ALA  76   1.175  -6.270 -14.761
  562    HA   ALA  76           HA       ALA  76   1.923  -6.977 -17.493
  563    HB1  ALA  76           HB1      ALA  76   0.441  -8.909 -17.543
  564    HB2  ALA  76           HB2      ALA  76   0.066  -8.682 -15.835
  565    HB3  ALA  76           HB3      ALA  76   1.702  -9.120 -16.329
  Start of MODEL    4
    1    H1   MET   1           HT1      MET   1   9.213   7.968  16.078
    2    H2   MET   1           HT2      MET   1  10.528   7.345  16.934
    3    H3   MET   1           HT3      MET   1   8.952   6.973  17.421
    4    HA   MET   1           HA       MET   1  10.367   6.071  14.989
    5    HB2  MET   1           HB2      MET   1   9.025   4.540  17.228
    6    HB3  MET   1           HB1      MET   1   9.868   3.833  15.857
    7    HG2  MET   1           HG2      MET   1  11.425   3.693  17.550
    8    HG3  MET   1           HG1      MET   1  11.904   5.160  16.700
    9    HE1  MET   1           HE1      MET   1  10.117   3.656  19.821
   10    HE2  MET   1           HE2      MET   1   8.847   4.703  19.187
   11    HE3  MET   1           HE3      MET   1   9.632   5.096  20.717
   12    H    ASP   2           HN       ASP   2   7.241   6.330  16.618
   13    HA   ASP   2           HA       ASP   2   5.716   4.988  14.668
   14    HB2  ASP   2           HB2      ASP   2   3.776   6.111  15.696
   15    HB3  ASP   2           HB1      ASP   2   4.851   5.423  16.910
   16    H    TRP   3           HN       TRP   3   6.694   8.356  15.011
   17    HA   TRP   3           HA       TRP   3   5.076   9.457  13.000
   18    HB2  TRP   3           HB2      TRP   3   7.857  10.407  13.692
   19    HB3  TRP   3           HB1      TRP   3   6.511  11.363  13.079
   20    HD1  TRP   3           HD1      TRP   3   7.795   9.716  16.286
   21    HE1  TRP   3           HE1      TRP   3   6.541  10.723  18.287
   22    HE3  TRP   3           HE3      TRP   3   4.349  12.519  13.756
   23    HZ2  TRP   3           HZ2      TRP   3   4.379  12.484  18.743
   24    HZ3  TRP   3           HZ3      TRP   3   2.723  13.838  15.051
   25    HH2  TRP   3           HH2      TRP   3   2.739  13.819  17.493
   26    H    ARG   4           HN       ARG   4   8.286   7.983  12.864
   27    HA   ARG   4           HA       ARG   4   8.758   8.555  10.126
   28    HB2  ARG   4           HB2      ARG   4  10.575   8.023  11.681
   29    HB3  ARG   4           HB1      ARG   4   9.934   6.399  11.888
   30    HG2  ARG   4           HG2      ARG   4  10.366   5.920   9.535
   31    HG3  ARG   4           HG1      ARG   4  10.996   7.554   9.317
   32    HD2  ARG   4           HD2      ARG   4  12.131   5.446  11.153
   33    HD3  ARG   4           HD1      ARG   4  12.800   5.930   9.596
   34    HE   ARG   4           HE       ARG   4  13.578   7.896  10.552
   35   HH11  ARG   4          HH11      ARG   4  11.655   6.103  12.855
   36   HH12  ARG   4          HH12      ARG   4  12.199   7.029  14.212
   37   HH21  ARG   4          HH21      ARG   4  14.288   9.110  12.339
   38   HH22  ARG   4          HH22      ARG   4  13.690   8.734  13.921
   39    H    HIS   5           HN       HIS   5   7.276   5.854  11.831
   40    HA   HIS   5           HA       HIS   5   7.140   4.061   9.661
   41    HB2  HIS   5           HB2      HIS   5   5.271   4.329  12.031
   42    HB3  HIS   5           HB1      HIS   5   5.413   2.917  10.988
   43    HD1  HIS   5           HD1      HIS   5   5.921   2.776  14.049
   44    HD2  HIS   5           HD2      HIS   5   8.884   3.263  11.180
   45    HE1  HIS   5           HE1      HIS   5   8.043   1.968  15.131
   46    HE2  HIS   5           HE2      HIS   5   9.805   2.191  13.345
   47    H    LYS   6           HN       LYS   6   5.061   6.680  10.744
   48    HA   LYS   6           HA       LYS   6   3.149   6.096   8.625
   49    HB2  LYS   6           HB2      LYS   6   3.135   8.279  10.724
   50    HB3  LYS   6           HB1      LYS   6   1.825   7.930   9.604
   51    HG2  LYS   6           HG2      LYS   6   2.855   6.058  11.726
   52    HG3  LYS   6           HG1      LYS   6   1.392   7.037  11.837
   53    HD2  LYS   6           HD2      LYS   6   1.919   4.896   9.777
   54    HD3  LYS   6           HD1      LYS   6   0.896   4.717  11.205
   55    HE2  LYS   6           HE2      LYS   6   0.459   6.653   8.932
   56    HE3  LYS   6           HE1      LYS   6  -0.441   5.164   9.214
   57    HZ1  LYS   6           HZ1      LYS   6  -1.655   7.086  10.016
   58    HZ2  LYS   6           HZ2      LYS   6  -0.371   7.514  11.029
   59    HZ3  LYS   6           HZ3      LYS   6  -1.227   6.083  11.310
   60    H    ALA   7           HN       ALA   7   6.011   7.649   9.028
   61    HA   ALA   7           HA       ALA   7   5.625   9.995   7.475
   62    HB1  ALA   7           HB1      ALA   7   8.196   8.467   7.897
   63    HB2  ALA   7           HB2      ALA   7   7.550   9.651   9.030
   64    HB3  ALA   7           HB3      ALA   7   8.028  10.152   7.410
   65    H    VAL   8           HN       VAL   8   6.807   6.726   6.865
   66    HA   VAL   8           HA       VAL   8   7.019   7.187   4.053
   67    HB   VAL   8           HB       VAL   8   6.857   4.432   5.237
   68   HG11  VAL   8          HG11      VAL   8   8.422   5.626   2.946
   69   HG12  VAL   8          HG12      VAL   8   6.960   4.649   2.807
   70   HG13  VAL   8          HG13      VAL   8   8.445   3.931   3.431
   71   HG21  VAL   8          HG21      VAL   8   8.390   5.585   6.703
   72   HG22  VAL   8          HG22      VAL   8   9.234   6.293   5.327
   73   HG23  VAL   8          HG23      VAL   8   9.317   4.556   5.612
   74    H    CYS   9           HN       CYS   9   4.552   6.236   6.310
   75    HA   CYS   9           HA       CYS   9   2.674   4.966   4.710
   76    HB2  CYS   9           HB2      CYS   9   2.598   6.587   7.119
   77    HB3  CYS   9           HB1      CYS   9   1.190   6.884   6.125
   78    H    ARG  10           HN       ARG  10   3.082   8.432   5.256
   79    HA   ARG  10           HA       ARG  10   1.300   9.255   3.206
   80    HB2  ARG  10           HB2      ARG  10   2.246  11.513   3.609
   81    HB3  ARG  10           HB1      ARG  10   1.717  10.711   5.081
   82    HG2  ARG  10           HG2      ARG  10   4.003  10.152   5.637
   83    HG3  ARG  10           HG1      ARG  10   4.567  10.858   4.122
   84    HD2  ARG  10           HD2      ARG  10   4.909  12.393   5.985
   85    HD3  ARG  10           HD1      ARG  10   3.747  13.046   4.831
   86    HE   ARG  10           HE       ARG  10   2.340  11.674   6.822
   87   HH11  ARG  10          HH11      ARG  10   4.300  14.539   6.458
   88   HH12  ARG  10          HH12      ARG  10   3.507  15.395   7.737
   89   HH21  ARG  10          HH21      ARG  10   1.297  12.799   8.506
   90   HH22  ARG  10          HH22      ARG  10   1.803  14.408   8.901
   91    H    ASP  11           HN       ASP  11   4.598   8.312   3.222
   92    HA   ASP  11           HA       ASP  11   5.283   9.662   0.764
   93    HB2  ASP  11           HB2      ASP  11   6.801   7.552   2.304
   94    HB3  ASP  11           HB1      ASP  11   7.430   8.482   0.951
   95    H    GLU  12           HN       GLU  12   3.180   7.320   1.120
   96    HA   GLU  12           HA       GLU  12   4.205   5.344  -0.685
   97    HB2  GLU  12           HB2      GLU  12   1.976   5.662   1.163
   98    HB3  GLU  12           HB1      GLU  12   1.457   4.933  -0.335
   99    HG2  GLU  12           HG2      GLU  12   3.186   3.211  -0.080
  100    HG3  GLU  12           HG1      GLU  12   3.664   3.946   1.449
  101    H    ASP  13           HN       ASP  13   1.591   5.004  -2.019
  102    HA   ASP  13           HA       ASP  13   1.852   7.188  -3.949
  103    HB2  ASP  13           HB2      ASP  13   2.502   4.869  -4.753
  104    HB3  ASP  13           HB1      ASP  13   0.810   4.403  -4.590
  105    HA   PRO  14           HA       PRO  14  -2.227   8.423  -2.676
  106    HB2  PRO  14           HB2      PRO  14  -2.822   9.684  -5.112
  107    HB3  PRO  14           HB1      PRO  14  -2.109  10.450  -3.691
  108    HG2  PRO  14           HG2      PRO  14  -0.793   9.435  -6.158
  109    HG3  PRO  14           HG1      PRO  14  -0.366  10.823  -5.142
  110    HD2  PRO  14           HD2      PRO  14   1.035   8.534  -5.069
  111    HD3  PRO  14           HD1      PRO  14   0.767   9.509  -3.608
  112    H    GLU  15           HN       GLU  15  -1.428   6.720  -5.619
  113    HA   GLU  15           HA       GLU  15  -4.085   6.070  -6.367
  114    HB2  GLU  15           HB2      GLU  15  -1.448   4.753  -7.073
  115    HB3  GLU  15           HB1      GLU  15  -2.997   4.293  -7.762
  116    HG2  GLU  15           HG2      GLU  15  -1.770   5.749  -9.260
  117    HG3  GLU  15           HG1      GLU  15  -3.269   6.502  -8.720
  118    H    LEU  16           HN       LEU  16  -1.945   4.868  -3.950
  119    HA   LEU  16           HA       LEU  16  -3.170   2.292  -3.699
  120    HB2  LEU  16           HB2      LEU  16  -1.121   3.815  -2.192
  121    HB3  LEU  16           HB1      LEU  16  -2.020   2.614  -1.278
  122    HG   LEU  16           HG       LEU  16  -1.232   0.838  -2.576
  123   HD11  LEU  16          HD11      LEU  16  -1.014   2.909  -4.625
  124   HD12  LEU  16          HD12      LEU  16  -1.475   1.219  -4.750
  125   HD13  LEU  16          HD13      LEU  16   0.239   1.663  -4.677
  126   HD21  LEU  16          HD21      LEU  16   0.795   2.820  -1.860
  127   HD22  LEU  16          HD22      LEU  16   1.322   1.651  -3.087
  128   HD23  LEU  16          HD23      LEU  16   0.726   1.093  -1.513
  129    H    PHE  17           HN       PHE  17  -4.068   5.417  -2.842
  130    HA   PHE  17           HA       PHE  17  -6.014   4.452  -0.871
  131    HB2  PHE  17           HB2      PHE  17  -5.170   7.281  -1.557
  132    HB3  PHE  17           HB1      PHE  17  -6.340   6.839  -0.317
  133    HD1  PHE  17           HD1      PHE  17  -5.629   5.855   1.773
  134    HD2  PHE  17           HD2      PHE  17  -2.804   6.925  -1.225
  135    HE1  PHE  17           HE1      PHE  17  -3.811   5.660   3.421
  136    HE2  PHE  17           HE2      PHE  17  -0.981   6.730   0.417
  137    HZ   PHE  17           HZ       PHE  17  -1.484   6.098   2.743
  138    H    PHE  18           HN       PHE  18  -5.661   5.142  -4.121
  139    HA   PHE  18           HA       PHE  18  -8.570   5.472  -4.441
  140    HB2  PHE  18           HB2      PHE  18  -6.489   6.843  -6.156
  141    HB3  PHE  18           HB1      PHE  18  -8.237   7.003  -6.293
  142    HD1  PHE  18           HD1      PHE  18  -5.341   8.492  -5.067
  143    HD2  PHE  18           HD2      PHE  18  -9.415   7.801  -4.050
  144    HE1  PHE  18           HE1      PHE  18  -5.276  10.406  -3.520
  145    HE2  PHE  18           HE2      PHE  18  -9.358   9.714  -2.503
  146    HZ   PHE  18           HZ       PHE  18  -7.287  11.019  -2.236
  147    HA   PRO  19           HA       PRO  19  -7.847   1.711  -6.786
  148    HB2  PRO  19           HB2      PRO  19 -10.588   2.254  -7.771
  149    HB3  PRO  19           HB1      PRO  19  -9.938   0.811  -6.990
  150    HG2  PRO  19           HG2      PRO  19 -11.571   2.470  -5.682
  151    HG3  PRO  19           HG1      PRO  19 -10.215   1.676  -4.861
  152    HD2  PRO  19           HD2      PRO  19 -10.457   4.492  -5.835
  153    HD3  PRO  19           HD1      PRO  19  -9.703   3.871  -4.352
  154    H    VAL  20           HN       VAL  20  -6.965   1.444  -8.756
  155    HA   VAL  20           HA       VAL  20  -7.064   3.586 -10.679
  156    HB   VAL  20           HB       VAL  20  -5.689   0.901 -10.841
  157   HG11  VAL  20          HG11      VAL  20  -4.325   1.956 -12.593
  158   HG12  VAL  20          HG12      VAL  20  -5.334   3.399 -12.495
  159   HG13  VAL  20          HG13      VAL  20  -6.028   1.872 -13.041
  160   HG21  VAL  20          HG21      VAL  20  -4.597   3.598 -10.050
  161   HG22  VAL  20          HG22      VAL  20  -3.673   2.104 -10.198
  162   HG23  VAL  20          HG23      VAL  20  -4.915   2.252  -8.956
  163    H    GLY  21           HN       GLY  21  -7.658   3.329 -12.883
  164    HA2  GLY  21           HA2      GLY  21  -8.882   1.066 -13.981
  165    HA3  GLY  21           HA1      GLY  21 -10.142   2.056 -13.266
  166    H    ASN  22           HN       ASN  22  -7.968   4.302 -14.135
  167    HA   ASN  22           HA       ASN  22  -9.023   4.492 -16.873
  168    HB2  ASN  22           HB2      ASN  22  -8.556   6.746 -14.914
  169    HB3  ASN  22           HB1      ASN  22  -9.071   6.944 -16.586
  170   HD21  ASN  22          HD21      ASN  22  -9.990   5.906 -13.404
  171   HD22  ASN  22          HD22      ASN  22 -11.691   5.829 -13.699
  172    H    SER  23           HN       SER  23  -6.199   4.433 -14.927
  173    HA   SER  23           HA       SER  23  -4.639   5.242 -17.284
  174    HB2  SER  23           HB2      SER  23  -3.022   6.389 -15.812
  175    HB3  SER  23           HB1      SER  23  -4.621   7.134 -15.738
  176    HG   SER  23           HG       SER  23  -4.606   6.735 -13.686
  177    H    GLY  24           HN       GLY  24  -2.536   4.393 -17.432
  178    HA2  GLY  24           HA2      GLY  24  -2.256   1.774 -16.205
  179    HA3  GLY  24           HA1      GLY  24  -1.277   2.418 -17.515
  180    HA   PRO  25           HA       PRO  25   1.861   4.218 -14.907
  181    HB2  PRO  25           HB2      PRO  25   0.386   6.777 -14.456
  182    HB3  PRO  25           HB1      PRO  25   2.068   6.523 -14.943
  183    HG2  PRO  25           HG2      PRO  25   0.247   7.266 -16.731
  184    HG3  PRO  25           HG1      PRO  25   1.500   6.082 -17.150
  185    HD2  PRO  25           HD2      PRO  25  -1.390   5.657 -16.557
  186    HD3  PRO  25           HD1      PRO  25  -0.335   4.801 -17.699
  187    H    ALA  26           HN       ALA  26  -1.430   4.550 -13.828
  188    HA   ALA  26           HA       ALA  26  -0.939   5.114 -11.113
  189    HB1  ALA  26           HB1      ALA  26  -3.151   4.770 -10.762
  190    HB2  ALA  26           HB2      ALA  26  -3.182   3.288 -11.716
  191    HB3  ALA  26           HB3      ALA  26  -3.206   4.857 -12.525
  192    H    LEU  27           HN       LEU  27  -0.894   2.155 -12.936
  193    HA   LEU  27           HA       LEU  27  -0.745   0.391 -10.719
  194    HB2  LEU  27           HB2      LEU  27   0.197   0.058 -13.559
  195    HB3  LEU  27           HB1      LEU  27   0.099  -1.239 -12.385
  196    HG   LEU  27           HG       LEU  27  -1.866  -1.604 -13.487
  197   HD11  LEU  27          HD11      LEU  27  -2.970   0.608 -11.804
  198   HD12  LEU  27          HD12      LEU  27  -2.265  -0.824 -11.060
  199   HD13  LEU  27          HD13      LEU  27  -3.649  -0.986 -12.141
  200   HD21  LEU  27          HD21      LEU  27  -3.152   0.022 -14.659
  201   HD22  LEU  27          HD22      LEU  27  -1.453   0.314 -15.034
  202   HD23  LEU  27          HD23      LEU  27  -2.292   1.349 -13.879
  203    H    ALA  28           HN       ALA  28   1.636   1.959 -12.777
  204    HA   ALA  28           HA       ALA  28   3.877   0.739 -11.512
  205    HB1  ALA  28           HB1      ALA  28   4.028   1.666 -13.778
  206    HB2  ALA  28           HB2      ALA  28   5.219   2.400 -12.705
  207    HB3  ALA  28           HB3      ALA  28   3.755   3.284 -13.131
  208    H    GLN  29           HN       GLN  29   1.977   3.587 -11.002
  209    HA   GLN  29           HA       GLN  29   3.740   4.846  -9.122
  210    HB2  GLN  29           HB2      GLN  29   0.792   5.168  -9.749
  211    HB3  GLN  29           HB1      GLN  29   1.606   6.120  -8.511
  212    HG2  GLN  29           HG2      GLN  29   2.365   6.055 -11.419
  213    HG3  GLN  29           HG1      GLN  29   1.410   7.314 -10.639
  214   HE21  GLN  29          HE21      GLN  29   2.414   8.740  -9.220
  215   HE22  GLN  29          HE22      GLN  29   4.130   8.929  -9.168
  216    H    ILE  30           HN       ILE  30   0.761   2.989  -8.857
  217    HA   ILE  30           HA       ILE  30   0.641   2.704  -6.125
  218    HB   ILE  30           HB       ILE  30  -0.340   1.029  -8.404
  219   HG12  ILE  30          HG12      ILE  30  -1.653   2.834  -6.376
  220   HG13  ILE  30          HG11      ILE  30  -1.523   3.071  -8.109
  221   HG21  ILE  30          HG21      ILE  30  -0.411  -0.735  -7.071
  222   HG22  ILE  30          HG22      ILE  30  -1.732   0.093  -6.245
  223   HG23  ILE  30          HG23      ILE  30  -0.083   0.233  -5.633
  224   HD11  ILE  30          HD11      ILE  30  -3.773   2.411  -7.366
  225   HD12  ILE  30          HD12      ILE  30  -3.105   0.875  -6.812
  226   HD13  ILE  30          HD13      ILE  30  -3.062   1.289  -8.525
  227    H    ALA  31           HN       ALA  31   2.169   0.644  -8.510
  228    HA   ALA  31           HA       ALA  31   2.946  -1.424  -6.787
  229    HB1  ALA  31           HB1      ALA  31   2.944  -1.647  -9.226
  230    HB2  ALA  31           HB2      ALA  31   4.513  -2.071  -8.541
  231    HB3  ALA  31           HB3      ALA  31   4.290  -0.510  -9.330
  232    H    ASP  32           HN       ASP  32   4.230   1.724  -7.332
  233    HA   ASP  32           HA       ASP  32   6.874   1.127  -6.389
  234    HB2  ASP  32           HB2      ASP  32   5.465   3.740  -6.937
  235    HB3  ASP  32           HB1      ASP  32   7.122   3.643  -6.347
  236    H    ALA  33           HN       ALA  33   3.947   2.581  -5.120
  237    HA   ALA  33           HA       ALA  33   5.142   3.188  -2.601
  238    HB1  ALA  33           HB1      ALA  33   2.356   3.166  -3.651
  239    HB2  ALA  33           HB2      ALA  33   3.330   4.502  -3.048
  240    HB3  ALA  33           HB3      ALA  33   2.661   3.329  -1.921
  241    H    LYS  34           HN       LYS  34   3.396   0.470  -3.967
  242    HA   LYS  34           HA       LYS  34   2.906  -0.946  -1.600
  243    HB2  LYS  34           HB2      LYS  34   1.914  -1.556  -3.771
  244    HB3  LYS  34           HB1      LYS  34   3.498  -2.051  -4.354
  245    HG2  LYS  34           HG2      LYS  34   3.494  -3.650  -2.330
  246    HG3  LYS  34           HG1      LYS  34   1.756  -3.352  -2.301
  247    HD2  LYS  34           HD2      LYS  34   1.592  -4.109  -4.625
  248    HD3  LYS  34           HD1      LYS  34   3.332  -4.404  -4.650
  249    HE2  LYS  34           HE2      LYS  34   2.118  -6.479  -4.277
  250    HE3  LYS  34           HE1      LYS  34   3.075  -6.053  -2.859
  251    HZ1  LYS  34           HZ1      LYS  34   0.159  -5.592  -3.182
  252    HZ2  LYS  34           HZ2      LYS  34   1.075  -5.174  -1.823
  253    HZ3  LYS  34           HZ3      LYS  34   0.871  -6.801  -2.236
  254    H    LEU  35           HN       LEU  35   5.751  -0.827  -3.722
  255    HA   LEU  35           HA       LEU  35   7.163  -2.898  -2.373
  256    HB2  LEU  35           HB2      LEU  35   8.096  -0.651  -4.153
  257    HB3  LEU  35           HB1      LEU  35   9.165  -1.890  -3.530
  258    HG   LEU  35           HG       LEU  35   8.591  -3.327  -5.142
  259   HD11  LEU  35          HD11      LEU  35   5.697  -2.565  -4.779
  260   HD12  LEU  35          HD12      LEU  35   6.521  -3.904  -3.986
  261   HD13  LEU  35          HD13      LEU  35   6.301  -3.916  -5.735
  262   HD21  LEU  35          HD21      LEU  35   8.825  -1.677  -6.707
  263   HD22  LEU  35          HD22      LEU  35   7.451  -0.754  -6.101
  264   HD23  LEU  35          HD23      LEU  35   7.180  -2.214  -7.054
  265    H    VAL  36           HN       VAL  36   7.200   0.631  -2.136
  266    HA   VAL  36           HA       VAL  36   9.229   0.746  -0.145
  267    HB   VAL  36           HB       VAL  36   7.099   2.794  -0.786
  268   HG11  VAL  36          HG11      VAL  36   8.644   4.403   0.232
  269   HG12  VAL  36          HG12      VAL  36   9.727   3.081   0.670
  270   HG13  VAL  36          HG13      VAL  36   8.120   3.181   1.391
  271   HG21  VAL  36          HG21      VAL  36   8.481   2.183  -2.728
  272   HG22  VAL  36          HG22      VAL  36   9.931   2.575  -1.804
  273   HG23  VAL  36          HG23      VAL  36   8.768   3.841  -2.202
  274    H    CYS  37           HN       CYS  37   5.748   0.436  -0.051
  275    HA   CYS  37           HA       CYS  37   5.452   0.978   2.737
  276    HB2  CYS  37           HB2      CYS  37   3.600   1.289   1.170
  277    HB3  CYS  37           HB1      CYS  37   3.616  -0.425   0.782
  278    H    ASN  38           HN       ASN  38   6.207  -1.842   0.846
  279    HA   ASN  38           HA       ASN  38   5.604  -3.709   2.956
  280    HB2  ASN  38           HB2      ASN  38   7.073  -4.084   0.340
  281    HB3  ASN  38           HB1      ASN  38   6.633  -5.385   1.440
  282   HD21  ASN  38          HD21      ASN  38   4.062  -4.285   2.148
  283   HD22  ASN  38          HD22      ASN  38   3.041  -4.483   0.771
  284    H    ARG  39           HN       ARG  39   8.431  -1.972   1.825
  285    HA   ARG  39           HA       ARG  39  10.154  -3.556   3.579
  286    HB2  ARG  39           HB2      ARG  39  10.840  -1.351   1.631
  287    HB3  ARG  39           HB1      ARG  39  12.007  -2.288   2.554
  288    HG2  ARG  39           HG2      ARG  39  10.109  -3.379   0.486
  289    HG3  ARG  39           HG1      ARG  39  11.837  -3.091   0.267
  290    HD2  ARG  39           HD2      ARG  39  10.594  -5.010   2.235
  291    HD3  ARG  39           HD1      ARG  39  11.374  -5.450   0.716
  292    HE   ARG  39           HE       ARG  39  13.188  -3.966   2.245
  293   HH11  ARG  39          HH11      ARG  39  11.579  -7.063   2.311
  294   HH12  ARG  39          HH12      ARG  39  12.850  -7.845   3.189
  295   HH21  ARG  39          HH21      ARG  39  14.861  -4.994   3.401
  296   HH22  ARG  39          HH22      ARG  39  14.712  -6.671   3.808
  297    H    CYS  40           HN       CYS  40   8.262  -0.811   3.811
  298    HA   CYS  40           HA       CYS  40   9.989   0.753   5.484
  299    HB2  CYS  40           HB2      CYS  40   8.461   2.164   4.548
  300    HB3  CYS  40           HB1      CYS  40   7.206   0.938   4.482
  301    HA   PRO  41           HA       PRO  41   9.778  -1.065   9.483
  302    HB2  PRO  41           HB2      PRO  41   8.467   1.524  10.226
  303    HB3  PRO  41           HB1      PRO  41   9.734   0.630  11.076
  304    HG2  PRO  41           HG2      PRO  41  10.336   2.743   9.563
  305    HG3  PRO  41           HG1      PRO  41  11.390   1.318   9.609
  306    HD2  PRO  41           HD2      PRO  41   9.614   2.275   7.450
  307    HD3  PRO  41           HD1      PRO  41  11.052   1.242   7.354
  308    H    VAL  42           HN       VAL  42   8.366  -2.536  10.145
  309    HA   VAL  42           HA       VAL  42   5.565  -2.328   9.501
  310    HB   VAL  42           HB       VAL  42   6.724  -4.481   9.301
  311   HG11  VAL  42          HG11      VAL  42   6.987  -4.321  12.301
  312   HG12  VAL  42          HG12      VAL  42   8.304  -4.262  11.129
  313   HG13  VAL  42          HG13      VAL  42   7.356  -5.737  11.316
  314   HG21  VAL  42          HG21      VAL  42   5.062  -5.866  10.473
  315   HG22  VAL  42          HG22      VAL  42   4.324  -4.490   9.652
  316   HG23  VAL  42          HG23      VAL  42   4.558  -4.451  11.399
  317    H    THR  43           HN       THR  43   3.918  -1.886  10.837
  318    HA   THR  43           HA       THR  43   4.440  -1.575  13.708
  319    HB   THR  43           HB       THR  43   3.075   0.464  13.762
  320    HG1  THR  43           HG1      THR  43   1.899   0.027  11.796
  321   HG21  THR  43          HG21      THR  43   4.664   1.984  12.717
  322   HG22  THR  43          HG22      THR  43   5.376   0.638  11.829
  323   HG23  THR  43          HG23      THR  43   5.487   0.693  13.588
  324    H    THR  44           HN       THR  44   2.442  -1.341  14.977
  325    HA   THR  44           HA       THR  44   0.651  -3.428  14.570
  326    HB   THR  44           HB       THR  44   0.160  -0.898  16.164
  327    HG1  THR  44           HG1      THR  44   1.329  -1.804  17.722
  328   HG21  THR  44          HG21      THR  44  -1.362  -2.315  17.485
  329   HG22  THR  44          HG22      THR  44  -1.084  -3.643  16.359
  330   HG23  THR  44          HG23      THR  44  -1.883  -2.171  15.806
  331    H    GLU  45           HN       GLU  45   0.714  -0.167  13.360
  332    HA   GLU  45           HA       GLU  45  -1.997   0.160  12.678
  333    HB2  GLU  45           HB2      GLU  45  -0.341   1.988  12.624
  334    HB3  GLU  45           HB1      GLU  45   0.450   1.227  11.251
  335    HG2  GLU  45           HG2      GLU  45  -0.953   3.066  10.536
  336    HG3  GLU  45           HG1      GLU  45  -1.558   1.533   9.909
  337    H    CYS  46           HN       CYS  46   0.707  -1.240  10.898
  338    HA   CYS  46           HA       CYS  46  -0.769  -1.770   8.524
  339    HB2  CYS  46           HB2      CYS  46   1.622  -3.423   9.152
  340    HB3  CYS  46           HB1      CYS  46   1.179  -2.609   7.658
  341    H    LEU  47           HN       LEU  47   0.186  -3.771  11.307
  342    HA   LEU  47           HA       LEU  47  -0.925  -6.177  10.295
  343    HB2  LEU  47           HB2      LEU  47  -0.295  -5.306  13.110
  344    HB3  LEU  47           HB1      LEU  47  -0.878  -6.909  12.710
  345    HG   LEU  47           HG       LEU  47   1.153  -7.112  11.184
  346   HD11  LEU  47          HD11      LEU  47   1.935  -4.672  12.760
  347   HD12  LEU  47          HD12      LEU  47   1.767  -4.803  11.009
  348   HD13  LEU  47          HD13      LEU  47   3.060  -5.668  11.839
  349   HD21  LEU  47          HD21      LEU  47   0.974  -8.276  13.313
  350   HD22  LEU  47          HD22      LEU  47   1.557  -6.843  14.161
  351   HD23  LEU  47          HD23      LEU  47   2.623  -7.708  13.052
  352    H    SER  48           HN       SER  48  -2.144  -3.747  12.555
  353    HA   SER  48           HA       SER  48  -4.605  -4.967  13.099
  354    HB2  SER  48           HB2      SER  48  -3.891  -2.029  13.111
  355    HB3  SER  48           HB1      SER  48  -5.343  -2.719  13.837
  356    HG   SER  48           HG       SER  48  -4.171  -3.090  15.526
  357    H    TRP  49           HN       TRP  49  -3.571  -2.904  10.497
  358    HA   TRP  49           HA       TRP  49  -6.133  -2.326   9.438
  359    HB2  TRP  49           HB2      TRP  49  -4.113  -1.020   8.866
  360    HB3  TRP  49           HB1      TRP  49  -3.469  -2.413   8.003
  361    HD1  TRP  49           HD1      TRP  49  -5.643   0.581   7.535
  362    HE1  TRP  49           HE1      TRP  49  -6.663   0.570   5.172
  363    HE3  TRP  49           HE3      TRP  49  -4.432  -4.188   6.147
  364    HZ2  TRP  49           HZ2      TRP  49  -6.923  -1.223   3.007
  365    HZ3  TRP  49           HZ3      TRP  49  -5.104  -4.974   3.915
  366    HH2  TRP  49           HH2      TRP  49  -6.324  -3.521   2.379
  367    H    ALA  50           HN       ALA  50  -3.738  -4.836   8.745
  368    HA   ALA  50           HA       ALA  50  -5.099  -6.043   6.598
  369    HB1  ALA  50           HB1      ALA  50  -2.736  -6.464   7.094
  370    HB2  ALA  50           HB2      ALA  50  -3.655  -7.966   6.990
  371    HB3  ALA  50           HB3      ALA  50  -3.198  -7.317   8.566
  372    H    LEU  51           HN       LEU  51  -5.277  -6.515  10.085
  373    HA   LEU  51           HA       LEU  51  -6.951  -8.805   9.988
  374    HB2  LEU  51           HB2      LEU  51  -6.516  -6.793  12.190
  375    HB3  LEU  51           HB1      LEU  51  -7.382  -8.305  12.381
  376    HG   LEU  51           HG       LEU  51  -4.456  -8.015  11.697
  377   HD11  LEU  51          HD11      LEU  51  -4.956  -7.452  14.013
  378   HD12  LEU  51          HD12      LEU  51  -4.091  -8.986  13.910
  379   HD13  LEU  51          HD13      LEU  51  -5.829  -8.973  14.204
  380   HD21  LEU  51          HD21      LEU  51  -4.368 -10.447  11.942
  381   HD22  LEU  51          HD22      LEU  51  -5.434  -9.969  10.620
  382   HD23  LEU  51          HD23      LEU  51  -6.117 -10.489  12.161
  383    H    ASN  52           HN       ASN  52  -7.521  -5.376  10.041
  384    HA   ASN  52           HA       ASN  52 -10.319  -5.519  10.547
  385    HB2  ASN  52           HB2      ASN  52  -8.708  -3.298   9.276
  386    HB3  ASN  52           HB1      ASN  52 -10.354  -3.151   9.879
  387   HD21  ASN  52          HD21      ASN  52  -9.941  -4.768  12.224
  388   HD22  ASN  52          HD22      ASN  52  -8.970  -3.839  13.306
  389    H    THR  53           HN       THR  53  -8.337  -5.691   7.716
  390    HA   THR  53           HA       THR  53 -10.712  -5.652   5.986
  391    HB   THR  53           HB       THR  53  -9.194  -5.326   4.115
  392    HG1  THR  53           HG1      THR  53  -7.410  -6.526   5.395
  393   HG21  THR  53          HG21      THR  53  -8.232  -3.138   4.778
  394   HG22  THR  53          HG22      THR  53  -8.607  -3.523   6.458
  395   HG23  THR  53          HG23      THR  53  -9.910  -3.338   5.284
  396    H    GLY  54           HN       GLY  54  -8.836  -7.822   7.600
  397    HA2  GLY  54           HA2      GLY  54  -8.636 -10.106   7.478
  398    HA3  GLY  54           HA1      GLY  54  -9.917 -10.068   6.277
  399    H    GLN  55           HN       GLN  55  -6.864  -8.379   5.905
  400    HA   GLN  55           HA       GLN  55  -6.326  -9.997   3.534
  401    HB2  GLN  55           HB2      GLN  55  -5.132  -7.403   4.519
  402    HB3  GLN  55           HB1      GLN  55  -4.589  -8.242   3.073
  403    HG2  GLN  55           HG2      GLN  55  -7.364  -7.174   3.540
  404    HG3  GLN  55           HG1      GLN  55  -6.117  -6.412   2.554
  405   HE21  GLN  55          HE21      GLN  55  -5.564  -7.323   0.574
  406   HE22  GLN  55          HE22      GLN  55  -6.569  -8.483  -0.216
  407    H    ASP  56           HN       ASP  56  -4.476 -11.185   3.231
  408    HA   ASP  56           HA       ASP  56  -3.215 -12.216   5.561
  409    HB2  ASP  56           HB2      ASP  56  -2.498 -12.577   2.643
  410    HB3  ASP  56           HB1      ASP  56  -1.855 -13.534   3.975
  411    H    SER  57           HN       SER  57  -1.206 -11.865   6.395
  412    HA   SER  57           HA       SER  57   0.709 -10.191   5.025
  413    HB2  SER  57           HB2      SER  57  -0.546  -9.266   7.620
  414    HB3  SER  57           HB1      SER  57   0.842  -8.514   6.835
  415    HG   SER  57           HG       SER  57  -1.852  -8.557   6.039
  416    H    GLY  58           HN       GLY  58   2.668  -9.806   6.521
  417    HA2  GLY  58           HA2      GLY  58   3.013 -11.837   8.572
  418    HA3  GLY  58           HA1      GLY  58   3.984 -12.056   7.123
  419    H    VAL  59           HN       VAL  59   5.608 -10.526   6.622
  420    HA   VAL  59           HA       VAL  59   6.775  -9.316   8.975
  421    HB   VAL  59           HB       VAL  59   7.807  -9.294   6.135
  422   HG11  VAL  59          HG11      VAL  59   8.813  -7.582   7.541
  423   HG12  VAL  59          HG12      VAL  59   9.979  -8.854   7.184
  424   HG13  VAL  59          HG13      VAL  59   9.198  -8.792   8.764
  425   HG21  VAL  59          HG21      VAL  59   8.408 -11.211   8.387
  426   HG22  VAL  59          HG22      VAL  59   9.224 -11.175   6.824
  427   HG23  VAL  59          HG23      VAL  59   7.510 -11.580   6.914
  428    H    TRP  60           HN       TRP  60   5.121  -8.298   6.076
  429    HA   TRP  60           HA       TRP  60   5.268  -5.518   7.031
  430    HB2  TRP  60           HB2      TRP  60   5.295  -4.761   4.679
  431    HB3  TRP  60           HB1      TRP  60   6.717  -5.718   5.082
  432    HD1  TRP  60           HD1      TRP  60   3.445  -5.937   3.077
  433    HE1  TRP  60           HE1      TRP  60   3.688  -7.812   1.330
  434    HE3  TRP  60           HE3      TRP  60   7.961  -7.833   4.543
  435    HZ2  TRP  60           HZ2      TRP  60   5.548  -9.827   0.662
  436    HZ3  TRP  60           HZ3      TRP  60   8.903  -9.734   3.297
  437    HH2  TRP  60           HH2      TRP  60   7.720 -10.710   1.398
  438    H    GLY  61           HN       GLY  61   3.531  -4.202   5.620
  439    HA2  GLY  61           HA2      GLY  61   1.185  -5.446   4.762
  440    HA3  GLY  61           HA1      GLY  61   1.011  -5.142   6.483
  441    H    GLY  62           HN       GLY  62  -0.785  -3.769   5.814
  442    HA2  GLY  62           HA2      GLY  62  -1.580  -1.592   5.781
  443    HA3  GLY  62           HA1      GLY  62   0.073  -1.026   5.602
  444    H    MET  63           HN       MET  63  -1.575  -3.340   3.512
  445    HA   MET  63           HA       MET  63  -1.442  -1.351   1.339
  446    HB2  MET  63           HB2      MET  63   0.236  -3.058   0.997
  447    HB3  MET  63           HB1      MET  63  -0.949  -4.329   1.246
  448    HG2  MET  63           HG2      MET  63  -1.513  -2.422  -0.929
  449    HG3  MET  63           HG1      MET  63  -0.139  -3.502  -1.161
  450    HE1  MET  63           HE1      MET  63  -0.307  -6.086  -0.713
  451    HE2  MET  63           HE2      MET  63  -1.796  -7.024  -0.827
  452    HE3  MET  63           HE3      MET  63  -1.435  -6.118   0.642
  453    H    SER  64           HN       SER  64  -3.227  -1.089   0.077
  454    HA   SER  64           HA       SER  64  -5.687  -2.220   1.037
  455    HB2  SER  64           HB2      SER  64  -6.762  -0.639  -0.492
  456    HB3  SER  64           HB1      SER  64  -5.544   0.173   0.491
  457    HG   SER  64           HG       SER  64  -4.207   0.284  -1.241
  458    H    GLU  65           HN       GLU  65  -7.229  -3.223  -0.251
  459    HA   GLU  65           HA       GLU  65  -6.328  -5.335  -1.838
  460    HB2  GLU  65           HB2      GLU  65  -9.084  -4.084  -1.779
  461    HB3  GLU  65           HB1      GLU  65  -8.698  -5.664  -2.446
  462    HG2  GLU  65           HG2      GLU  65  -8.008  -6.433  -0.235
  463    HG3  GLU  65           HG1      GLU  65  -8.391  -4.848   0.435
  464    H    ASP  66           HN       ASP  66  -7.473  -2.121  -2.669
  465    HA   ASP  66           HA       ASP  66  -7.649  -2.461  -5.451
  466    HB2  ASP  66           HB2      ASP  66  -7.015   0.022  -3.841
  467    HB3  ASP  66           HB1      ASP  66  -7.425   0.017  -5.554
  468    H    GLU  67           HN       GLU  67  -5.015  -1.791  -3.293
  469    HA   GLU  67           HA       GLU  67  -3.060  -1.088  -5.199
  470    HB2  GLU  67           HB2      GLU  67  -2.883  -0.780  -2.701
  471    HB3  GLU  67           HB1      GLU  67  -2.603  -2.509  -2.567
  472    HG2  GLU  67           HG2      GLU  67  -0.868  -0.576  -4.083
  473    HG3  GLU  67           HG1      GLU  67  -0.532  -1.211  -2.475
  474    H    ARG  68           HN       ARG  68  -4.137  -4.166  -3.849
  475    HA   ARG  68           HA       ARG  68  -2.183  -5.812  -5.016
  476    HB2  ARG  68           HB2      ARG  68  -3.721  -6.566  -3.240
  477    HB3  ARG  68           HB1      ARG  68  -5.065  -6.476  -4.370
  478    HG2  ARG  68           HG2      ARG  68  -4.328  -8.765  -4.098
  479    HG3  ARG  68           HG1      ARG  68  -4.023  -8.209  -5.745
  480    HD2  ARG  68           HD2      ARG  68  -1.684  -7.812  -5.191
  481    HD3  ARG  68           HD1      ARG  68  -1.980  -8.310  -3.527
  482    HE   ARG  68           HE       ARG  68  -2.761 -10.380  -5.257
  483   HH11  ARG  68          HH11      ARG  68   0.128  -8.780  -4.129
  484   HH12  ARG  68          HH12      ARG  68   1.131 -10.176  -4.335
  485   HH21  ARG  68          HH21      ARG  68  -1.444 -12.217  -5.527
  486   HH22  ARG  68          HH22      ARG  68   0.240 -12.128  -5.128
  487    H    ARG  69           HN       ARG  69  -5.357  -4.748  -6.173
  488    HA   ARG  69           HA       ARG  69  -5.311  -6.183  -8.605
  489    HB2  ARG  69           HB2      ARG  69  -6.762  -3.617  -7.921
  490    HB3  ARG  69           HB1      ARG  69  -7.089  -4.625  -9.324
  491    HG2  ARG  69           HG2      ARG  69  -7.633  -6.491  -7.746
  492    HG3  ARG  69           HG1      ARG  69  -7.512  -5.323  -6.430
  493    HD2  ARG  69           HD2      ARG  69  -9.412  -5.202  -8.769
  494    HD3  ARG  69           HD1      ARG  69  -9.827  -5.601  -7.102
  495    HE   ARG  69           HE       ARG  69  -8.623  -3.101  -7.067
  496   HH11  ARG  69          HH11      ARG  69 -11.495  -4.574  -8.395
  497   HH12  ARG  69          HH12      ARG  69 -12.422  -3.113  -8.339
  498   HH21  ARG  69          HH21      ARG  69  -9.841  -1.178  -6.993
  499   HH22  ARG  69          HH22      ARG  69 -11.483  -1.185  -7.544
  500    H    ALA  70           HN       ALA  70  -4.167  -3.001  -7.660
  501    HA   ALA  70           HA       ALA  70  -3.565  -1.947 -10.180
  502    HB1  ALA  70           HB1      ALA  70  -2.026  -0.465  -8.977
  503    HB2  ALA  70           HB2      ALA  70  -2.192  -1.480  -7.543
  504    HB3  ALA  70           HB3      ALA  70  -3.587  -0.600  -8.166
  505    H    LEU  71           HN       LEU  71  -1.771  -4.064  -8.054
  506    HA   LEU  71           HA       LEU  71   0.668  -4.024  -9.522
  507    HB2  LEU  71           HB2      LEU  71   0.535  -4.679  -7.150
  508    HB3  LEU  71           HB1      LEU  71  -0.383  -6.102  -7.599
  509    HG   LEU  71           HG       LEU  71   2.385  -5.637  -8.675
  510   HD11  LEU  71          HD11      LEU  71   3.250  -7.010  -6.856
  511   HD12  LEU  71          HD12      LEU  71   1.652  -7.041  -6.111
  512   HD13  LEU  71          HD13      LEU  71   2.534  -5.519  -6.243
  513   HD21  LEU  71          HD21      LEU  71   2.238  -8.221  -8.574
  514   HD22  LEU  71          HD22      LEU  71   1.392  -7.364  -9.860
  515   HD23  LEU  71          HD23      LEU  71   0.499  -7.951  -8.457
  516    H    LYS  72           HN       LYS  72  -2.132  -6.196  -9.443
  517    HA   LYS  72           HA       LYS  72  -1.125  -8.116 -11.232
  518    HB2  LYS  72           HB2      LYS  72  -3.984  -7.327 -10.655
  519    HB3  LYS  72           HB1      LYS  72  -3.505  -8.764 -11.549
  520    HG2  LYS  72           HG2      LYS  72  -2.825  -8.168  -8.676
  521    HG3  LYS  72           HG1      LYS  72  -4.062  -9.294  -9.241
  522    HD2  LYS  72           HD2      LYS  72  -2.332 -10.628 -10.353
  523    HD3  LYS  72           HD1      LYS  72  -1.099  -9.504  -9.778
  524    HE2  LYS  72           HE2      LYS  72  -1.681 -10.051  -7.466
  525    HE3  LYS  72           HE1      LYS  72  -2.918 -11.169  -8.040
  526    HZ1  LYS  72           HZ1      LYS  72  -0.893 -12.333  -7.441
  527    HZ2  LYS  72           HZ2      LYS  72   0.000 -11.410  -8.540
  528    HZ3  LYS  72           HZ3      LYS  72  -1.184 -12.479  -9.103
  529    H    ARG  73           HN       ARG  73  -2.745  -5.078 -11.709
  530    HA   ARG  73           HA       ARG  73  -3.242  -5.412 -14.494
  531    HB2  ARG  73           HB2      ARG  73  -3.127  -2.957 -12.740
  532    HB3  ARG  73           HB1      ARG  73  -3.549  -2.904 -14.445
  533    HG2  ARG  73           HG2      ARG  73  -5.470  -4.338 -14.031
  534    HG3  ARG  73           HG1      ARG  73  -5.038  -4.437 -12.323
  535    HD2  ARG  73           HD2      ARG  73  -5.344  -2.026 -12.100
  536    HD3  ARG  73           HD1      ARG  73  -5.750  -1.911 -13.810
  537    HE   ARG  73           HE       ARG  73  -7.431  -2.927 -11.673
  538   HH11  ARG  73          HH11      ARG  73  -6.944  -2.608 -15.118
  539   HH12  ARG  73          HH12      ARG  73  -8.613  -2.858 -15.501
  540   HH21  ARG  73          HH21      ARG  73  -9.625  -3.258 -12.181
  541   HH22  ARG  73          HH22      ARG  73 -10.134  -3.228 -13.836
  542    H    ARG  74           HN       ARG  74  -0.595  -4.156 -12.577
  543    HA   ARG  74           HA       ARG  74   0.840  -2.905 -14.664
  544    HB2  ARG  74           HB2      ARG  74   1.137  -2.845 -12.043
  545    HB3  ARG  74           HB1      ARG  74   2.241  -4.177 -12.346
  546    HG2  ARG  74           HG2      ARG  74   2.431  -1.405 -13.505
  547    HG3  ARG  74           HG1      ARG  74   3.447  -2.087 -12.234
  548    HD2  ARG  74           HD2      ARG  74   3.294  -2.946 -15.117
  549    HD3  ARG  74           HD1      ARG  74   4.653  -2.180 -14.300
  550    HE   ARG  74           HE       ARG  74   4.108  -4.531 -12.933
  551   HH11  ARG  74          HH11      ARG  74   5.143  -3.582 -16.127
  552   HH12  ARG  74          HH12      ARG  74   6.047  -5.032 -16.402
  553   HH21  ARG  74          HH21      ARG  74   5.297  -6.440 -13.292
  554   HH22  ARG  74          HH22      ARG  74   6.134  -6.656 -14.793
  555    H    ASN  75           HN       ASN  75   0.942  -6.171 -13.301
  556    HA   ASN  75           HA       ASN  75   3.074  -7.067 -14.969
  557    HB2  ASN  75           HB2      ASN  75   1.017  -8.598 -13.364
  558    HB3  ASN  75           HB1      ASN  75   2.391  -9.339 -14.179
  559   HD21  ASN  75          HD21      ASN  75   3.261 -10.101 -12.266
  560   HD22  ASN  75          HD22      ASN  75   4.013  -9.059 -11.112
  561    H    ALA  76           HN       ALA  76  -0.429  -7.091 -15.199
  562    HA   ALA  76           HA       ALA  76  -0.349  -8.657 -17.657
  563    HB1  ALA  76           HB1      ALA  76  -2.084  -9.153 -16.003
  564    HB2  ALA  76           HB2      ALA  76  -2.781  -8.624 -17.535
  565    HB3  ALA  76           HB3      ALA  76  -2.709  -7.511 -16.168
  Start of MODEL    5
    1    H1   MET   1           HT1      MET   1  11.266   6.325  15.652
    2    H2   MET   1           HT2      MET   1   9.750   5.930  16.285
    3    H3   MET   1           HT3      MET   1   9.869   7.024  15.001
    4    HA   MET   1           HA       MET   1  10.747   5.281  13.574
    5    HB2  MET   1           HB2      MET   1  10.106   3.500  15.934
    6    HB3  MET   1           HB1      MET   1  10.616   2.949  14.344
    7    HG2  MET   1           HG2      MET   1  12.757   4.086  14.635
    8    HG3  MET   1           HG1      MET   1  12.245   4.638  16.229
    9    HE1  MET   1           HE1      MET   1  11.910   1.234  18.162
   10    HE2  MET   1           HE2      MET   1  10.641   2.060  17.258
   11    HE3  MET   1           HE3      MET   1  11.751   2.987  18.269
   12    H    ASP   2           HN       ASP   2   8.074   5.040  15.895
   13    HA   ASP   2           HA       ASP   2   6.248   3.719  14.242
   14    HB2  ASP   2           HB2      ASP   2   4.512   4.623  15.743
   15    HB3  ASP   2           HB1      ASP   2   5.880   3.974  16.642
   16    H    TRP   3           HN       TRP   3   6.788   7.195  14.738
   17    HA   TRP   3           HA       TRP   3   4.741   8.068  13.006
   18    HB2  TRP   3           HB2      TRP   3   6.104  10.221  12.959
   19    HB3  TRP   3           HB1      TRP   3   5.587   9.656  14.545
   20    HD1  TRP   3           HD1      TRP   3   7.472   8.778  16.213
   21    HE1  TRP   3           HE1      TRP   3  10.022   9.082  16.248
   22    HE3  TRP   3           HE3      TRP   3   8.155  10.442  11.427
   23    HZ2  TRP   3           HZ2      TRP   3  12.061   9.924  14.483
   24    HZ3  TRP   3           HZ3      TRP   3  10.437  10.977  10.681
   25    HH2  TRP   3           HH2      TRP   3  12.350  10.723  12.178
   26    H    ARG   4           HN       ARG   4   8.099   7.188  12.467
   27    HA   ARG   4           HA       ARG   4   8.267   8.173   9.807
   28    HB2  ARG   4           HB2      ARG   4  10.260   7.716  11.161
   29    HB3  ARG   4           HB1      ARG   4   9.868   6.002  11.176
   30    HG2  ARG   4           HG2      ARG   4  11.618   6.470   9.570
   31    HG3  ARG   4           HG1      ARG   4  10.158   5.915   8.750
   32    HD2  ARG   4           HD2      ARG   4   9.579   8.238   8.225
   33    HD3  ARG   4           HD1      ARG   4  11.045   8.783   9.038
   34    HE   ARG   4           HE       ARG   4  11.784   6.940   7.079
   35   HH11  ARG   4          HH11      ARG   4  10.375  10.125   7.290
   36   HH12  ARG   4          HH12      ARG   4  11.005  10.641   5.761
   37   HH21  ARG   4          HH21      ARG   4  12.613   7.616   5.068
   38   HH22  ARG   4          HH22      ARG   4  12.275   9.217   4.499
   39    H    HIS   5           HN       HIS   5   7.352   5.074  11.212
   40    HA   HIS   5           HA       HIS   5   7.227   3.620   8.789
   41    HB2  HIS   5           HB2      HIS   5   5.713   3.189  11.372
   42    HB3  HIS   5           HB1      HIS   5   5.907   2.000  10.087
   43    HD1  HIS   5           HD1      HIS   5   7.070   2.246  13.244
   44    HD2  HIS   5           HD2      HIS   5   9.110   2.170   9.627
   45    HE1  HIS   5           HE1      HIS   5   9.397   1.482  13.802
   46    HE2  HIS   5           HE2      HIS   5  10.640   1.535  11.613
   47    H    LYS   6           HN       LYS   6   4.944   5.662  10.514
   48    HA   LYS   6           HA       LYS   6   2.869   5.044   8.563
   49    HB2  LYS   6           HB2      LYS   6   2.834   6.909  10.952
   50    HB3  LYS   6           HB1      LYS   6   1.449   6.538   9.934
   51    HG2  LYS   6           HG2      LYS   6   1.464   4.248  10.647
   52    HG3  LYS   6           HG1      LYS   6   2.965   4.494  11.541
   53    HD2  LYS   6           HD2      LYS   6   1.020   4.485  13.030
   54    HD3  LYS   6           HD1      LYS   6   1.836   6.048  13.040
   55    HE2  LYS   6           HE2      LYS   6  -0.385   5.673  11.110
   56    HE3  LYS   6           HE1      LYS   6  -0.808   5.807  12.816
   57    HZ1  LYS   6           HZ1      LYS   6   0.391   7.908  12.905
   58    HZ2  LYS   6           HZ2      LYS   6  -0.832   7.962  11.740
   59    HZ3  LYS   6           HZ3      LYS   6   0.780   7.782  11.264
   60    H    ALA   7           HN       ALA   7   5.505   6.975   8.883
   61    HA   ALA   7           HA       ALA   7   4.610   9.382   7.673
   62    HB1  ALA   7           HB1      ALA   7   6.931   9.926   7.390
   63    HB2  ALA   7           HB2      ALA   7   7.408   8.244   7.605
   64    HB3  ALA   7           HB3      ALA   7   6.755   9.156   8.965
   65    H    VAL   8           HN       VAL   8   6.151   6.400   6.583
   66    HA   VAL   8           HA       VAL   8   6.024   7.108   3.825
   67    HB   VAL   8           HB       VAL   8   6.228   4.276   4.835
   68   HG11  VAL   8          HG11      VAL   8   7.505   3.929   2.812
   69   HG12  VAL   8          HG12      VAL   8   7.447   5.652   2.440
   70   HG13  VAL   8          HG13      VAL   8   5.968   4.693   2.405
   71   HG21  VAL   8          HG21      VAL   8   7.840   5.513   6.137
   72   HG22  VAL   8          HG22      VAL   8   8.425   6.344   4.696
   73   HG23  VAL   8          HG23      VAL   8   8.694   4.611   4.885
   74    H    CYS   9           HN       CYS   9   3.873   5.782   6.182
   75    HA   CYS   9           HA       CYS   9   1.997   4.432   4.648
   76    HB2  CYS   9           HB2      CYS   9   2.052   5.682   7.224
   77    HB3  CYS   9           HB1      CYS   9   0.554   6.121   6.435
   78    H    ARG  10           HN       ARG  10   1.574   7.779   5.712
   79    HA   ARG  10           HA       ARG  10  -0.265   8.415   3.643
   80    HB2  ARG  10           HB2      ARG  10  -0.151  10.706   4.533
   81    HB3  ARG  10           HB1      ARG  10  -0.395   9.510   5.798
   82    HG2  ARG  10           HG2      ARG  10   1.982   9.627   6.364
   83    HG3  ARG  10           HG1      ARG  10   2.216  10.838   5.102
   84    HD2  ARG  10           HD2      ARG  10   2.011  11.887   7.292
   85    HD3  ARG  10           HD1      ARG  10   0.663  12.336   6.247
   86    HE   ARG  10           HE       ARG  10  -0.084  10.103   7.765
   87   HH11  ARG  10          HH11      ARG  10   0.644  13.489   8.196
   88   HH12  ARG  10          HH12      ARG  10  -0.384  13.663   9.579
   89   HH21  ARG  10          HH21      ARG  10  -1.437  10.329   9.584
   90   HH22  ARG  10          HH22      ARG  10  -1.564  11.869  10.368
   91    H    ASP  11           HN       ASP  11   3.163   8.566   3.836
   92    HA   ASP  11           HA       ASP  11   3.456  10.533   1.739
   93    HB2  ASP  11           HB2      ASP  11   5.444   8.876   3.277
   94    HB3  ASP  11           HB1      ASP  11   5.916   9.896   1.925
   95    H    GLU  12           HN       GLU  12   2.269   7.633   1.419
   96    HA   GLU  12           HA       GLU  12   4.051   6.481  -0.515
   97    HB2  GLU  12           HB2      GLU  12   2.399   4.712  -0.651
   98    HB3  GLU  12           HB1      GLU  12   2.667   5.121   1.033
   99    HG2  GLU  12           HG2      GLU  12   0.615   6.493   0.991
  100    HG3  GLU  12           HG1      GLU  12   0.328   5.964  -0.663
  101    H    ASP  13           HN       ASP  13   1.551   5.629  -2.095
  102    HA   ASP  13           HA       ASP  13   1.529   8.001  -3.821
  103    HB2  ASP  13           HB2      ASP  13   2.541   5.916  -4.800
  104    HB3  ASP  13           HB1      ASP  13   0.963   5.144  -4.696
  105    HA   PRO  14           HA       PRO  14  -2.734   8.565  -2.674
  106    HB2  PRO  14           HB2      PRO  14  -3.417   9.889  -5.049
  107    HB3  PRO  14           HB1      PRO  14  -2.852  10.654  -3.562
  108    HG2  PRO  14           HG2      PRO  14  -1.339   9.957  -6.030
  109    HG3  PRO  14           HG1      PRO  14  -1.143  11.343  -4.944
  110    HD2  PRO  14           HD2      PRO  14   0.569   9.283  -4.904
  111    HD3  PRO  14           HD1      PRO  14   0.100  10.122  -3.410
  112    H    GLU  15           HN       GLU  15  -1.580   7.162  -5.646
  113    HA   GLU  15           HA       GLU  15  -4.081   6.167  -6.555
  114    HB2  GLU  15           HB2      GLU  15  -1.266   5.218  -7.198
  115    HB3  GLU  15           HB1      GLU  15  -2.726   4.776  -8.076
  116    HG2  GLU  15           HG2      GLU  15  -1.604   7.556  -7.833
  117    HG3  GLU  15           HG1      GLU  15  -1.475   6.502  -9.240
  118    H    LEU  16           HN       LEU  16  -1.889   5.195  -4.106
  119    HA   LEU  16           HA       LEU  16  -2.625   2.436  -4.009
  120    HB2  LEU  16           HB2      LEU  16  -1.392   4.146  -1.835
  121    HB3  LEU  16           HB1      LEU  16  -1.442   2.394  -1.860
  122    HG   LEU  16           HG       LEU  16   0.384   4.239  -3.240
  123   HD11  LEU  16          HD11      LEU  16   1.295   2.706  -1.627
  124   HD12  LEU  16          HD12      LEU  16   1.859   2.236  -3.246
  125   HD13  LEU  16          HD13      LEU  16   0.553   1.337  -2.457
  126   HD21  LEU  16          HD21      LEU  16  -0.917   1.958  -4.648
  127   HD22  LEU  16          HD22      LEU  16   0.694   2.534  -5.066
  128   HD23  LEU  16          HD23      LEU  16  -0.694   3.614  -5.206
  129    H    PHE  17           HN       PHE  17  -4.210   5.271  -3.182
  130    HA   PHE  17           HA       PHE  17  -5.955   3.909  -1.259
  131    HB2  PHE  17           HB2      PHE  17  -5.720   6.853  -1.920
  132    HB3  PHE  17           HB1      PHE  17  -6.793   6.163  -0.709
  133    HD1  PHE  17           HD1      PHE  17  -5.934   5.346   1.395
  134    HD2  PHE  17           HD2      PHE  17  -3.335   6.997  -1.541
  135    HE1  PHE  17           HE1      PHE  17  -4.151   5.529   3.082
  136    HE2  PHE  17           HE2      PHE  17  -1.548   7.183   0.138
  137    HZ   PHE  17           HZ       PHE  17  -1.955   6.447   2.453
  138    H    PHE  18           HN       PHE  18  -5.740   4.660  -4.523
  139    HA   PHE  18           HA       PHE  18  -8.660   4.404  -4.811
  140    HB2  PHE  18           HB2      PHE  18  -6.829   6.235  -6.368
  141    HB3  PHE  18           HB1      PHE  18  -8.485   5.875  -6.841
  142    HD1  PHE  18           HD1      PHE  18 -10.183   7.249  -6.111
  143    HD2  PHE  18           HD2      PHE  18  -6.527   7.141  -3.936
  144    HE1  PHE  18           HE1      PHE  18 -10.993   9.068  -4.667
  145    HE2  PHE  18           HE2      PHE  18  -7.329   8.960  -2.488
  146    HZ   PHE  18           HZ       PHE  18  -9.565   9.926  -2.852
  147    HA   PRO  19           HA       PRO  19  -7.583   1.034  -7.473
  148    HB2  PRO  19           HB2      PRO  19 -10.166   1.202  -8.780
  149    HB3  PRO  19           HB1      PRO  19  -9.588   0.006  -7.621
  150    HG2  PRO  19           HG2      PRO  19 -11.537   1.836  -7.066
  151    HG3  PRO  19           HG1      PRO  19 -10.484   1.115  -5.839
  152    HD2  PRO  19           HD2      PRO  19 -10.328   3.805  -7.132
  153    HD3  PRO  19           HD1      PRO  19 -10.007   3.339  -5.448
  154    H    VAL  20           HN       VAL  20  -6.537   0.883  -9.377
  155    HA   VAL  20           HA       VAL  20  -6.646   3.063 -11.252
  156    HB   VAL  20           HB       VAL  20  -5.113   0.473 -11.471
  157   HG11  VAL  20          HG11      VAL  20  -3.653   1.790 -12.965
  158   HG12  VAL  20          HG12      VAL  20  -4.781   3.139 -12.841
  159   HG13  VAL  20          HG13      VAL  20  -5.294   1.625 -13.587
  160   HG21  VAL  20          HG21      VAL  20  -4.490   1.547  -9.423
  161   HG22  VAL  20          HG22      VAL  20  -4.337   3.106 -10.234
  162   HG23  VAL  20          HG23      VAL  20  -3.205   1.805 -10.602
  163    H    GLY  21           HN       GLY  21  -7.065   2.825 -13.501
  164    HA2  GLY  21           HA2      GLY  21  -8.030   0.568 -14.789
  165    HA3  GLY  21           HA1      GLY  21  -9.424   1.350 -14.059
  166    H    ASN  22           HN       ASN  22  -8.102   4.022 -14.411
  167    HA   ASN  22           HA       ASN  22  -8.896   4.370 -17.201
  168    HB2  ASN  22           HB2      ASN  22  -8.507   6.412 -15.004
  169    HB3  ASN  22           HB1      ASN  22  -9.068   6.767 -16.635
  170   HD21  ASN  22          HD21      ASN  22  -9.864   5.347 -13.572
  171   HD22  ASN  22          HD22      ASN  22 -11.563   5.207 -13.848
  172    H    SER  23           HN       SER  23  -6.050   4.244 -15.292
  173    HA   SER  23           HA       SER  23  -4.539   5.247 -17.591
  174    HB2  SER  23           HB2      SER  23  -3.047   6.544 -16.113
  175    HB3  SER  23           HB1      SER  23  -4.706   7.147 -16.062
  176    HG   SER  23           HG       SER  23  -3.643   6.888 -13.981
  177    H    GLY  24           HN       GLY  24  -2.381   4.570 -17.711
  178    HA2  GLY  24           HA2      GLY  24  -1.872   2.011 -16.427
  179    HA3  GLY  24           HA1      GLY  24  -0.944   2.719 -17.744
  180    HA   PRO  25           HA       PRO  25   1.978   4.887 -15.159
  181    HB2  PRO  25           HB2      PRO  25   0.226   7.275 -14.758
  182    HB3  PRO  25           HB1      PRO  25   1.932   7.202 -15.216
  183    HG2  PRO  25           HG2      PRO  25   0.077   7.714 -17.044
  184    HG3  PRO  25           HG1      PRO  25   1.452   6.658 -17.423
  185    HD2  PRO  25           HD2      PRO  25  -1.386   5.946 -16.860
  186    HD3  PRO  25           HD1      PRO  25  -0.231   5.184 -17.971
  187    H    ALA  26           HN       ALA  26  -1.335   4.873 -14.095
  188    HA   ALA  26           HA       ALA  26  -0.927   5.525 -11.389
  189    HB1  ALA  26           HB1      ALA  26  -3.122   4.804 -12.904
  190    HB2  ALA  26           HB2      ALA  26  -3.110   5.121 -11.168
  191    HB3  ALA  26           HB3      ALA  26  -2.952   3.466 -11.760
  192    H    LEU  27           HN       LEU  27  -0.518   2.565 -13.163
  193    HA   LEU  27           HA       LEU  27  -0.173   0.867 -10.905
  194    HB2  LEU  27           HB2      LEU  27   0.764   0.590 -13.754
  195    HB3  LEU  27           HB1      LEU  27   0.858  -0.682 -12.554
  196    HG   LEU  27           HG       LEU  27  -1.046  -1.264 -13.735
  197   HD11  LEU  27          HD11      LEU  27  -2.975  -0.761 -12.311
  198   HD12  LEU  27          HD12      LEU  27  -2.047   0.510 -11.516
  199   HD13  LEU  27          HD13      LEU  27  -1.546  -1.172 -11.363
  200   HD21  LEU  27          HD21      LEU  27  -1.101   0.777 -15.112
  201   HD22  LEU  27          HD22      LEU  27  -1.887   1.630 -13.784
  202   HD23  LEU  27          HD23      LEU  27  -2.705   0.283 -14.571
  203    H    ALA  28           HN       ALA  28   2.000   2.662 -13.010
  204    HA   ALA  28           HA       ALA  28   4.378   1.733 -11.751
  205    HB1  ALA  28           HB1      ALA  28   3.940   4.229 -13.391
  206    HB2  ALA  28           HB2      ALA  28   4.401   2.649 -14.025
  207    HB3  ALA  28           HB3      ALA  28   5.503   3.533 -12.969
  208    H    GLN  29           HN       GLN  29   2.166   4.353 -11.266
  209    HA   GLN  29           HA       GLN  29   3.765   5.835  -9.402
  210    HB2  GLN  29           HB2      GLN  29   1.041   5.948 -10.510
  211    HB3  GLN  29           HB1      GLN  29   1.112   6.423  -8.818
  212    HG2  GLN  29           HG2      GLN  29   1.329   8.309 -10.408
  213    HG3  GLN  29           HG1      GLN  29   2.678   8.159  -9.284
  214   HE21  GLN  29          HE21      GLN  29   4.062   9.300 -10.624
  215   HE22  GLN  29          HE22      GLN  29   4.699   8.631 -12.084
  216    H    ILE  30           HN       ILE  30   1.017   3.659  -9.124
  217    HA   ILE  30           HA       ILE  30   0.951   3.419  -6.387
  218    HB   ILE  30           HB       ILE  30   0.100   1.569  -8.591
  219   HG12  ILE  30          HG12      ILE  30  -1.431   3.325  -6.669
  220   HG13  ILE  30          HG11      ILE  30  -1.193   3.606  -8.383
  221   HG21  ILE  30          HG21      ILE  30  -1.263   0.704  -6.388
  222   HG22  ILE  30          HG22      ILE  30   0.359   1.002  -5.760
  223   HG23  ILE  30          HG23      ILE  30   0.127  -0.088  -7.131
  224   HD11  ILE  30          HD11      ILE  30  -2.814   1.442  -7.090
  225   HD12  ILE  30          HD12      ILE  30  -2.439   1.494  -8.812
  226   HD13  ILE  30          HD13      ILE  30  -3.390   2.785  -8.077
  227    H    ALA  31           HN       ALA  31   2.671   1.542  -8.774
  228    HA   ALA  31           HA       ALA  31   3.645  -0.481  -7.103
  229    HB1  ALA  31           HB1      ALA  31   3.694  -0.642  -9.538
  230    HB2  ALA  31           HB2      ALA  31   5.301  -0.888  -8.858
  231    HB3  ALA  31           HB3      ALA  31   4.889   0.653  -9.609
  232    H    ASP  32           HN       ASP  32   4.605   2.798  -7.552
  233    HA   ASP  32           HA       ASP  32   7.286   2.456  -6.585
  234    HB2  ASP  32           HB2      ASP  32   5.619   4.937  -7.045
  235    HB3  ASP  32           HB1      ASP  32   7.296   4.967  -6.507
  236    H    ALA  33           HN       ALA  33   4.231   3.645  -5.357
  237    HA   ALA  33           HA       ALA  33   5.254   4.231  -2.766
  238    HB1  ALA  33           HB1      ALA  33   2.713   4.049  -2.219
  239    HB2  ALA  33           HB2      ALA  33   2.544   4.016  -3.974
  240    HB3  ALA  33           HB3      ALA  33   3.331   5.381  -3.185
  241    H    LYS  34           HN       LYS  34   3.797   1.446  -4.304
  242    HA   LYS  34           HA       LYS  34   3.363  -0.103  -2.001
  243    HB2  LYS  34           HB2      LYS  34   2.274  -0.792  -3.985
  244    HB3  LYS  34           HB1      LYS  34   3.775  -0.810  -4.899
  245    HG2  LYS  34           HG2      LYS  34   4.403  -2.851  -4.101
  246    HG3  LYS  34           HG1      LYS  34   3.536  -2.647  -2.579
  247    HD2  LYS  34           HD2      LYS  34   1.422  -3.029  -3.686
  248    HD3  LYS  34           HD1      LYS  34   2.223  -3.095  -5.258
  249    HE2  LYS  34           HE2      LYS  34   3.135  -5.167  -4.858
  250    HE3  LYS  34           HE1      LYS  34   3.104  -4.961  -3.108
  251    HZ1  LYS  34           HZ1      LYS  34   0.740  -5.286  -3.109
  252    HZ2  LYS  34           HZ2      LYS  34   1.462  -6.580  -3.924
  253    HZ3  LYS  34           HZ3      LYS  34   0.694  -5.353  -4.798
  254    H    LEU  35           HN       LEU  35   6.202   0.224  -4.128
  255    HA   LEU  35           HA       LEU  35   7.671  -1.867  -2.867
  256    HB2  LEU  35           HB2      LEU  35   8.515   0.469  -4.570
  257    HB3  LEU  35           HB1      LEU  35   9.649  -0.719  -3.964
  258    HG   LEU  35           HG       LEU  35   9.141  -2.188  -5.576
  259   HD11  LEU  35          HD11      LEU  35   6.849  -2.760  -6.280
  260   HD12  LEU  35          HD12      LEU  35   6.229  -1.483  -5.237
  261   HD13  LEU  35          HD13      LEU  35   7.067  -2.862  -4.533
  262   HD21  LEU  35          HD21      LEU  35   9.392  -0.561  -7.145
  263   HD22  LEU  35          HD22      LEU  35   8.038   0.390  -6.537
  264   HD23  LEU  35          HD23      LEU  35   7.737  -1.053  -7.508
  265    H    VAL  36           HN       VAL  36   7.622   1.650  -2.485
  266    HA   VAL  36           HA       VAL  36   9.624   1.723  -0.461
  267    HB   VAL  36           HB       VAL  36   7.457   3.757  -1.021
  268   HG11  VAL  36          HG11      VAL  36  10.106   4.061   0.390
  269   HG12  VAL  36          HG12      VAL  36   8.527   4.027   1.170
  270   HG13  VAL  36          HG13      VAL  36   8.939   5.345   0.075
  271   HG21  VAL  36          HG21      VAL  36   9.065   4.881  -2.425
  272   HG22  VAL  36          HG22      VAL  36   8.860   3.223  -2.990
  273   HG23  VAL  36          HG23      VAL  36  10.288   3.665  -2.056
  274    H    CYS  37           HN       CYS  37   6.160   1.340  -0.455
  275    HA   CYS  37           HA       CYS  37   5.798   1.694   2.361
  276    HB2  CYS  37           HB2      CYS  37   3.928   2.200   1.023
  277    HB3  CYS  37           HB1      CYS  37   4.087   0.723   0.085
  278    H    ASN  38           HN       ASN  38   6.714  -0.931   0.311
  279    HA   ASN  38           HA       ASN  38   5.961  -3.003   2.163
  280    HB2  ASN  38           HB2      ASN  38   7.531  -3.004  -0.408
  281    HB3  ASN  38           HB1      ASN  38   7.332  -4.452   0.571
  282   HD21  ASN  38          HD21      ASN  38   4.669  -3.958   1.415
  283   HD22  ASN  38          HD22      ASN  38   3.643  -4.144   0.041
  284    H    ARG  39           HN       ARG  39   8.850  -1.132   1.493
  285    HA   ARG  39           HA       ARG  39  10.513  -2.920   3.062
  286    HB2  ARG  39           HB2      ARG  39  11.187  -0.227   1.872
  287    HB3  ARG  39           HB1      ARG  39  12.331  -1.384   2.536
  288    HG2  ARG  39           HG2      ARG  39  10.578  -1.896   0.143
  289    HG3  ARG  39           HG1      ARG  39  12.258  -1.364   0.067
  290    HD2  ARG  39           HD2      ARG  39  12.285  -3.711  -0.237
  291    HD3  ARG  39           HD1      ARG  39  12.845  -3.416   1.409
  292    HE   ARG  39           HE       ARG  39  10.047  -3.865   1.364
  293   HH11  ARG  39          HH11      ARG  39  13.105  -5.529   1.111
  294   HH12  ARG  39          HH12      ARG  39  12.479  -7.032   1.703
  295   HH21  ARG  39          HH21      ARG  39   9.222  -5.841   2.143
  296   HH22  ARG  39          HH22      ARG  39  10.274  -7.209   2.287
  297    H    CYS  40           HN       CYS  40   8.371  -0.455   3.794
  298    HA   CYS  40           HA       CYS  40   9.838   0.725   5.956
  299    HB2  CYS  40           HB2      CYS  40   8.284   2.262   5.392
  300    HB3  CYS  40           HB1      CYS  40   7.202   1.058   4.710
  301    HA   PRO  41           HA       PRO  41   9.405  -2.622   8.864
  302    HB2  PRO  41           HB2      PRO  41   9.397  -0.361  10.804
  303    HB3  PRO  41           HB1      PRO  41  10.365  -1.837  10.804
  304    HG2  PRO  41           HG2      PRO  41  11.429   0.498  10.075
  305    HG3  PRO  41           HG1      PRO  41  11.872  -1.011   9.255
  306    HD2  PRO  41           HD2      PRO  41  10.126   1.210   8.322
  307    HD3  PRO  41           HD1      PRO  41  11.179   0.132   7.389
  308    H    VAL  42           HN       VAL  42   7.566  -3.614   9.326
  309    HA   VAL  42           HA       VAL  42   5.038  -2.462   9.269
  310    HB   VAL  42           HB       VAL  42   4.217  -4.540  10.302
  311   HG11  VAL  42          HG11      VAL  42   5.035  -6.084   8.589
  312   HG12  VAL  42          HG12      VAL  42   6.358  -4.977   8.224
  313   HG13  VAL  42          HG13      VAL  42   4.691  -4.491   7.912
  314   HG21  VAL  42          HG21      VAL  42   5.984  -4.873  11.945
  315   HG22  VAL  42          HG22      VAL  42   7.142  -5.194  10.654
  316   HG23  VAL  42          HG23      VAL  42   5.800  -6.304  10.931
  317    H    THR  43           HN       THR  43   3.599  -1.799  10.799
  318    HA   THR  43           HA       THR  43   4.530  -1.543  13.578
  319    HB   THR  43           HB       THR  43   3.542   0.695  13.721
  320    HG1  THR  43           HG1      THR  43   3.199   0.440  10.902
  321   HG21  THR  43          HG21      THR  43   5.250   1.897  12.617
  322   HG22  THR  43          HG22      THR  43   5.485   0.614  11.433
  323   HG23  THR  43          HG23      THR  43   5.947   0.358  13.116
  324    H    THR  44           HN       THR  44   2.683  -0.821  15.020
  325    HA   THR  44           HA       THR  44   0.603  -2.661  14.954
  326    HB   THR  44           HB       THR  44   0.542   0.076  16.259
  327    HG1  THR  44           HG1      THR  44   1.818  -0.753  17.734
  328   HG21  THR  44          HG21      THR  44  -1.008  -2.446  16.871
  329   HG22  THR  44          HG22      THR  44  -1.662  -0.978  16.144
  330   HG23  THR  44          HG23      THR  44  -1.067  -0.949  17.804
  331    H    GLU  45           HN       GLU  45   1.020   0.416  13.379
  332    HA   GLU  45           HA       GLU  45  -1.684   0.961  12.729
  333    HB2  GLU  45           HB2      GLU  45   0.350   2.507  12.491
  334    HB3  GLU  45           HB1      GLU  45   0.699   1.644  11.001
  335    HG2  GLU  45           HG2      GLU  45  -1.840   3.151  11.589
  336    HG3  GLU  45           HG1      GLU  45  -0.496   3.745  10.615
  337    H    CYS  46           HN       CYS  46   0.860  -0.909  11.199
  338    HA   CYS  46           HA       CYS  46  -0.552  -1.550   8.825
  339    HB2  CYS  46           HB2      CYS  46   2.031  -1.854   9.788
  340    HB3  CYS  46           HB1      CYS  46   1.448  -3.507   9.646
  341    H    LEU  47           HN       LEU  47  -0.018  -3.292  11.878
  342    HA   LEU  47           HA       LEU  47  -1.436  -5.627  11.101
  343    HB2  LEU  47           HB2      LEU  47  -0.730  -4.547  13.827
  344    HB3  LEU  47           HB1      LEU  47  -1.483  -6.107  13.565
  345    HG   LEU  47           HG       LEU  47   0.825  -6.517  13.889
  346   HD11  LEU  47          HD11      LEU  47   1.512  -7.516  11.786
  347   HD12  LEU  47          HD12      LEU  47   0.307  -6.563  10.921
  348   HD13  LEU  47          HD13      LEU  47  -0.207  -7.795  12.073
  349   HD21  LEU  47          HD21      LEU  47   2.593  -5.390  12.751
  350   HD22  LEU  47          HD22      LEU  47   1.526  -4.166  13.441
  351   HD23  LEU  47          HD23      LEU  47   1.451  -4.530  11.717
  352    H    SER  48           HN       SER  48  -2.317  -2.712  12.871
  353    HA   SER  48           HA       SER  48  -4.896  -3.495  13.635
  354    HB2  SER  48           HB2      SER  48  -3.794  -1.531  14.596
  355    HB3  SER  48           HB1      SER  48  -3.860  -0.718  13.033
  356    HG   SER  48           HG       SER  48  -6.059  -1.510  14.644
  357    H    TRP  49           HN       TRP  49  -3.688  -2.038  10.703
  358    HA   TRP  49           HA       TRP  49  -6.219  -1.518   9.528
  359    HB2  TRP  49           HB2      TRP  49  -4.125  -0.414   8.789
  360    HB3  TRP  49           HB1      TRP  49  -3.555  -1.956   8.158
  361    HD1  TRP  49           HD1      TRP  49  -5.645   1.018   7.250
  362    HE1  TRP  49           HE1      TRP  49  -6.632   0.703   4.895
  363    HE3  TRP  49           HE3      TRP  49  -4.504  -3.916   6.545
  364    HZ2  TRP  49           HZ2      TRP  49  -6.895  -1.364   2.990
  365    HZ3  TRP  49           HZ3      TRP  49  -5.161  -4.987   4.429
  366    HH2  TRP  49           HH2      TRP  49  -6.331  -3.736   2.689
  367    H    ALA  50           HN       ALA  50  -3.947  -4.212   9.357
  368    HA   ALA  50           HA       ALA  50  -5.300  -5.717   7.402
  369    HB1  ALA  50           HB1      ALA  50  -3.966  -7.594   8.172
  370    HB2  ALA  50           HB2      ALA  50  -3.550  -6.721   9.647
  371    HB3  ALA  50           HB3      ALA  50  -2.975  -6.139   8.084
  372    H    LEU  51           HN       LEU  51  -5.624  -5.543  10.908
  373    HA   LEU  51           HA       LEU  51  -7.395  -7.738  11.162
  374    HB2  LEU  51           HB2      LEU  51  -6.920  -5.361  12.951
  375    HB3  LEU  51           HB1      LEU  51  -7.932  -6.726  13.387
  376    HG   LEU  51           HG       LEU  51  -4.968  -6.843  12.822
  377   HD11  LEU  51          HD11      LEU  51  -6.505  -7.098  15.402
  378   HD12  LEU  51          HD12      LEU  51  -5.480  -5.742  14.932
  379   HD13  LEU  51          HD13      LEU  51  -4.768  -7.332  15.208
  380   HD21  LEU  51          HD21      LEU  51  -6.091  -8.891  12.143
  381   HD22  LEU  51          HD22      LEU  51  -6.887  -8.991  13.713
  382   HD23  LEU  51          HD23      LEU  51  -5.137  -9.160  13.601
  383    H    ASN  52           HN       ASN  52  -7.846  -4.333  10.557
  384    HA   ASN  52           HA       ASN  52 -10.667  -4.336  10.940
  385    HB2  ASN  52           HB2      ASN  52  -8.759  -2.412   9.640
  386    HB3  ASN  52           HB1      ASN  52 -10.499  -2.154   9.573
  387   HD21  ASN  52          HD21      ASN  52 -11.625  -1.709  11.474
  388   HD22  ASN  52          HD22      ASN  52 -10.821  -1.163  12.902
  389    H    THR  53           HN       THR  53  -8.576  -5.060   8.279
  390    HA   THR  53           HA       THR  53 -10.880  -5.269   6.466
  391    HB   THR  53           HB       THR  53  -9.324  -5.279   4.632
  392    HG1  THR  53           HG1      THR  53  -7.370  -5.511   6.684
  393   HG21  THR  53          HG21      THR  53  -9.879  -3.086   5.523
  394   HG22  THR  53          HG22      THR  53  -8.208  -3.103   4.960
  395   HG23  THR  53          HG23      THR  53  -8.559  -3.204   6.686
  396    H    GLY  54           HN       GLY  54  -9.134  -7.175   8.522
  397    HA2  GLY  54           HA2      GLY  54  -9.010  -9.450   8.805
  398    HA3  GLY  54           HA1      GLY  54 -10.256  -9.582   7.575
  399    H    GLN  55           HN       GLN  55  -7.115  -8.099   7.026
  400    HA   GLN  55           HA       GLN  55  -6.580 -10.171   5.025
  401    HB2  GLN  55           HB2      GLN  55  -5.389  -7.427   5.438
  402    HB3  GLN  55           HB1      GLN  55  -4.838  -8.557   4.210
  403    HG2  GLN  55           HG2      GLN  55  -7.569  -7.312   4.423
  404    HG3  GLN  55           HG1      GLN  55  -6.326  -6.942   3.231
  405   HE21  GLN  55          HE21      GLN  55  -5.554  -9.729   2.874
  406   HE22  GLN  55          HE22      GLN  55  -6.820 -10.468   1.963
  407    H    ASP  56           HN       ASP  56  -4.624 -11.282   4.924
  408    HA   ASP  56           HA       ASP  56  -3.387 -11.768   7.473
  409    HB2  ASP  56           HB2      ASP  56  -2.745 -12.881   4.733
  410    HB3  ASP  56           HB1      ASP  56  -2.078 -13.470   6.253
  411    H    SER  57           HN       SER  57  -1.210 -11.461   8.018
  412    HA   SER  57           HA       SER  57   0.480  -9.931   6.212
  413    HB2  SER  57           HB2      SER  57  -0.318  -8.878   8.936
  414    HB3  SER  57           HB1      SER  57   0.915  -8.171   7.891
  415    HG   SER  57           HG       SER  57  -0.872  -8.044   6.292
  416    H    GLY  58           HN       GLY  58   2.691  -9.972   6.761
  417    HA2  GLY  58           HA2      GLY  58   3.509 -11.426   9.145
  418    HA3  GLY  58           HA1      GLY  58   3.845 -12.221   7.615
  419    H    VAL  59           HN       VAL  59   5.380 -11.322   6.199
  420    HA   VAL  59           HA       VAL  59   7.376  -9.693   7.558
  421    HB   VAL  59           HB       VAL  59   7.547 -11.015   4.846
  422   HG11  VAL  59          HG11      VAL  59   9.127  -9.187   5.132
  423   HG12  VAL  59          HG12      VAL  59   9.966 -10.738   5.134
  424   HG13  VAL  59          HG13      VAL  59   9.684  -9.886   6.652
  425   HG21  VAL  59          HG21      VAL  59   7.187 -12.681   6.581
  426   HG22  VAL  59          HG22      VAL  59   8.507 -11.999   7.531
  427   HG23  VAL  59          HG23      VAL  59   8.842 -12.764   5.978
  428    H    TRP  60           HN       TRP  60   5.124  -9.516   4.893
  429    HA   TRP  60           HA       TRP  60   6.201  -6.956   4.007
  430    HB2  TRP  60           HB2      TRP  60   3.900  -8.606   2.941
  431    HB3  TRP  60           HB1      TRP  60   4.507  -7.122   2.214
  432    HD1  TRP  60           HD1      TRP  60   5.499 -10.790   2.785
  433    HE1  TRP  60           HE1      TRP  60   7.342 -11.404   1.097
  434    HE3  TRP  60           HE3      TRP  60   6.332  -6.165   0.771
  435    HZ2  TRP  60           HZ2      TRP  60   8.938 -10.101  -0.834
  436    HZ3  TRP  60           HZ3      TRP  60   8.035  -5.935  -0.991
  437    HH2  TRP  60           HH2      TRP  60   9.310  -7.864  -1.776
  438    H    GLY  61           HN       GLY  61   5.194  -5.008   4.261
  439    HA2  GLY  61           HA2      GLY  61   3.388  -4.725   6.433
  440    HA3  GLY  61           HA1      GLY  61   3.894  -3.448   5.338
  441    H    GLY  62           HN       GLY  62   1.249  -4.828   6.497
  442    HA2  GLY  62           HA2      GLY  62  -0.414  -5.667   4.511
  443    HA3  GLY  62           HA1      GLY  62  -0.956  -4.666   5.847
  444    H    MET  63           HN       MET  63  -1.405  -4.881   2.778
  445    HA   MET  63           HA       MET  63  -1.206  -1.988   2.253
  446    HB2  MET  63           HB2      MET  63  -0.592  -4.332   0.559
  447    HB3  MET  63           HB1      MET  63  -1.442  -3.012  -0.232
  448    HG2  MET  63           HG2      MET  63   0.290  -1.474   0.330
  449    HG3  MET  63           HG1      MET  63   1.113  -2.685   1.313
  450    HE1  MET  63           HE1      MET  63   2.077  -5.311  -1.499
  451    HE2  MET  63           HE2      MET  63   0.435  -5.225  -0.863
  452    HE3  MET  63           HE3      MET  63   1.814  -5.066   0.227
  453    H    SER  64           HN       SER  64  -2.830  -1.219   0.643
  454    HA   SER  64           HA       SER  64  -5.445  -2.076   1.481
  455    HB2  SER  64           HB2      SER  64  -6.253  -0.124   0.244
  456    HB3  SER  64           HB1      SER  64  -4.916   0.325   1.302
  457    HG   SER  64           HG       SER  64  -4.995   0.990  -1.092
  458    H    GLU  65           HN       GLU  65  -7.165  -2.290  -0.135
  459    HA   GLU  65           HA       GLU  65  -6.630  -4.412  -1.906
  460    HB2  GLU  65           HB2      GLU  65  -9.036  -2.582  -1.803
  461    HB3  GLU  65           HB1      GLU  65  -8.959  -4.118  -2.657
  462    HG2  GLU  65           HG2      GLU  65  -8.707  -3.733   0.317
  463    HG3  GLU  65           HG1      GLU  65 -10.125  -4.337  -0.538
  464    H    ASP  66           HN       ASP  66  -6.862  -0.945  -2.349
  465    HA   ASP  66           HA       ASP  66  -7.013  -0.888  -5.152
  466    HB2  ASP  66           HB2      ASP  66  -5.799   1.113  -3.238
  467    HB3  ASP  66           HB1      ASP  66  -6.134   1.430  -4.937
  468    H    GLU  67           HN       GLU  67  -4.329  -1.023  -2.932
  469    HA   GLU  67           HA       GLU  67  -2.262  -0.723  -4.844
  470    HB2  GLU  67           HB2      GLU  67  -2.222  -2.018  -2.110
  471    HB3  GLU  67           HB1      GLU  67  -0.794  -1.607  -3.054
  472    HG2  GLU  67           HG2      GLU  67  -1.268   0.720  -2.897
  473    HG3  GLU  67           HG1      GLU  67  -2.843   0.407  -2.177
  474    H    ARG  68           HN       ARG  68  -3.951  -3.508  -3.495
  475    HA   ARG  68           HA       ARG  68  -2.319  -5.517  -4.586
  476    HB2  ARG  68           HB2      ARG  68  -5.281  -5.585  -3.976
  477    HB3  ARG  68           HB1      ARG  68  -4.278  -6.996  -4.281
  478    HG2  ARG  68           HG2      ARG  68  -3.917  -5.064  -2.000
  479    HG3  ARG  68           HG1      ARG  68  -4.687  -6.648  -1.895
  480    HD2  ARG  68           HD2      ARG  68  -2.599  -7.713  -2.580
  481    HD3  ARG  68           HD1      ARG  68  -1.829  -6.133  -2.713
  482    HE   ARG  68           HE       ARG  68  -2.875  -6.426  -0.125
  483   HH11  ARG  68          HH11      ARG  68  -0.331  -7.705  -2.141
  484   HH12  ARG  68          HH12      ARG  68   0.713  -8.070  -0.808
  485   HH21  ARG  68          HH21      ARG  68  -1.505  -6.905   1.630
  486   HH22  ARG  68          HH22      ARG  68   0.047  -7.616   1.332
  487    H    ARG  69           HN       ARG  69  -5.194  -3.885  -5.868
  488    HA   ARG  69           HA       ARG  69  -5.412  -5.401  -8.234
  489    HB2  ARG  69           HB2      ARG  69  -6.292  -2.561  -7.686
  490    HB3  ARG  69           HB1      ARG  69  -6.805  -3.533  -9.058
  491    HG2  ARG  69           HG2      ARG  69  -7.338  -4.161  -6.162
  492    HG3  ARG  69           HG1      ARG  69  -8.497  -3.483  -7.307
  493    HD2  ARG  69           HD2      ARG  69  -8.312  -5.496  -8.684
  494    HD3  ARG  69           HD1      ARG  69  -7.150  -6.171  -7.543
  495    HE   ARG  69           HE       ARG  69  -9.482  -5.523  -6.143
  496   HH11  ARG  69          HH11      ARG  69  -8.401  -7.766  -8.588
  497   HH12  ARG  69          HH12      ARG  69  -9.547  -8.989  -8.150
  498   HH21  ARG  69          HH21      ARG  69 -10.989  -7.130  -5.565
  499   HH22  ARG  69          HH22      ARG  69 -11.016  -8.628  -6.435
  500    H    ALA  70           HN       ALA  70  -3.706  -2.389  -7.505
  501    HA   ALA  70           HA       ALA  70  -2.886  -1.733 -10.102
  502    HB1  ALA  70           HB1      ALA  70  -1.321  -0.271  -9.083
  503    HB2  ALA  70           HB2      ALA  70  -1.321  -1.216  -7.593
  504    HB3  ALA  70           HB3      ALA  70  -2.753  -0.300  -8.054
  505    H    LEU  71           HN       LEU  71  -1.380  -3.719  -7.632
  506    HA   LEU  71           HA       LEU  71   1.019  -4.263  -9.053
  507    HB2  LEU  71           HB2      LEU  71   0.684  -4.464  -6.575
  508    HB3  LEU  71           HB1      LEU  71  -0.251  -5.916  -6.869
  509    HG   LEU  71           HG       LEU  71   2.120  -6.305  -6.159
  510   HD11  LEU  71          HD11      LEU  71   2.414  -8.177  -7.525
  511   HD12  LEU  71          HD12      LEU  71   1.649  -7.402  -8.909
  512   HD13  LEU  71          HD13      LEU  71   0.672  -7.902  -7.528
  513   HD21  LEU  71          HD21      LEU  71   3.890  -5.996  -7.802
  514   HD22  LEU  71          HD22      LEU  71   3.142  -4.454  -7.386
  515   HD23  LEU  71          HD23      LEU  71   2.743  -5.244  -8.911
  516    H    LYS  72           HN       LYS  72  -1.992  -6.094  -8.580
  517    HA   LYS  72           HA       LYS  72  -1.223  -8.359 -10.052
  518    HB2  LYS  72           HB2      LYS  72  -3.777  -7.247  -9.046
  519    HB3  LYS  72           HB1      LYS  72  -3.894  -8.403 -10.366
  520    HG2  LYS  72           HG2      LYS  72  -4.110  -9.475  -8.180
  521    HG3  LYS  72           HG1      LYS  72  -2.699 -10.059  -9.064
  522    HD2  LYS  72           HD2      LYS  72  -1.293  -8.486  -7.762
  523    HD3  LYS  72           HD1      LYS  72  -2.719  -8.037  -6.826
  524    HE2  LYS  72           HE2      LYS  72  -2.961 -10.355  -6.084
  525    HE3  LYS  72           HE1      LYS  72  -1.535 -10.803  -7.019
  526    HZ1  LYS  72           HZ1      LYS  72  -0.212  -9.320  -5.644
  527    HZ2  LYS  72           HZ2      LYS  72  -0.996 -10.475  -4.690
  528    HZ3  LYS  72           HZ3      LYS  72  -1.581  -8.890  -4.748
  529    H    ARG  73           HN       ARG  73  -2.511  -5.279 -11.003
  530    HA   ARG  73           HA       ARG  73  -3.217  -6.034 -13.658
  531    HB2  ARG  73           HB2      ARG  73  -4.116  -4.018 -12.469
  532    HB3  ARG  73           HB1      ARG  73  -2.536  -3.265 -12.652
  533    HG2  ARG  73           HG2      ARG  73  -2.743  -3.353 -15.067
  534    HG3  ARG  73           HG1      ARG  73  -4.295  -4.179 -14.920
  535    HD2  ARG  73           HD2      ARG  73  -3.637  -1.383 -14.008
  536    HD3  ARG  73           HD1      ARG  73  -4.660  -1.834 -15.370
  537    HE   ARG  73           HE       ARG  73  -5.354  -1.925 -12.552
  538   HH11  ARG  73          HH11      ARG  73  -6.210  -2.840 -15.812
  539   HH12  ARG  73          HH12      ARG  73  -7.883  -3.078 -15.437
  540   HH21  ARG  73          HH21      ARG  73  -7.552  -2.241 -12.061
  541   HH22  ARG  73          HH22      ARG  73  -8.644  -2.739 -13.309
  542    H    ARG  74           HN       ARG  74  -0.311  -4.831 -12.106
  543    HA   ARG  74           HA       ARG  74   1.129  -4.250 -14.479
  544    HB2  ARG  74           HB2      ARG  74   2.026  -4.867 -11.665
  545    HB3  ARG  74           HB1      ARG  74   3.149  -4.461 -12.955
  546    HG2  ARG  74           HG2      ARG  74   2.036  -2.301 -13.239
  547    HG3  ARG  74           HG1      ARG  74   0.928  -2.708 -11.929
  548    HD2  ARG  74           HD2      ARG  74   2.721  -1.276 -11.127
  549    HD3  ARG  74           HD1      ARG  74   2.815  -2.870 -10.381
  550    HE   ARG  74           HE       ARG  74   4.685  -1.708 -12.281
  551   HH11  ARG  74          HH11      ARG  74   3.648  -4.557 -10.544
  552   HH12  ARG  74          HH12      ARG  74   5.169  -5.366 -10.718
  553   HH21  ARG  74          HH21      ARG  74   6.681  -2.775 -12.510
  554   HH22  ARG  74          HH22      ARG  74   6.888  -4.356 -11.834
  555    H    ASN  75           HN       ASN  75   0.922  -7.115 -12.409
  556    HA   ASN  75           HA       ASN  75   2.831  -8.625 -13.896
  557    HB2  ASN  75           HB2      ASN  75   0.698  -9.491 -11.932
  558    HB3  ASN  75           HB1      ASN  75   1.927 -10.561 -12.595
  559   HD21  ASN  75          HD21      ASN  75   4.059  -8.639 -12.547
  560   HD22  ASN  75          HD22      ASN  75   4.486  -8.401 -10.893
  561    H    ALA  76           HN       ALA  76  -0.639  -8.191 -14.044
  562    HA   ALA  76           HA       ALA  76  -0.930 -10.291 -16.040
  563    HB1  ALA  76           HB1      ALA  76  -2.639 -10.065 -14.302
  564    HB2  ALA  76           HB2      ALA  76  -3.316  -9.821 -15.912
  565    HB3  ALA  76           HB3      ALA  76  -2.998  -8.434 -14.869
  Start of MODEL    6
    1    H1   MET   1           HT1      MET   1   8.508   8.290  16.187
    2    H2   MET   1           HT2      MET   1   9.913   7.718  16.932
    3    H3   MET   1           HT3      MET   1   8.406   7.113  17.399
    4    HA   MET   1           HA       MET   1   9.779   6.716  14.808
    5    HB2  MET   1           HB2      MET   1   8.915   4.773  16.960
    6    HB3  MET   1           HB1      MET   1   9.668   4.332  15.434
    7    HG2  MET   1           HG2      MET   1  11.681   5.558  16.070
    8    HG3  MET   1           HG1      MET   1  10.926   6.003  17.598
    9    HE1  MET   1           HE1      MET   1  11.946   1.654  16.435
   10    HE2  MET   1           HE2      MET   1  12.266   3.042  15.393
   11    HE3  MET   1           HE3      MET   1  10.604   2.557  15.731
   12    H    ASP   2           HN       ASP   2   6.753   6.751  16.521
   13    HA   ASP   2           HA       ASP   2   5.241   5.154  14.757
   14    HB2  ASP   2           HB2      ASP   2   4.464   5.765  17.010
   15    HB3  ASP   2           HB1      ASP   2   4.327   7.447  16.508
   16    H    TRP   3           HN       TRP   3   5.725   8.677  14.911
   17    HA   TRP   3           HA       TRP   3   4.081   9.305  12.720
   18    HB2  TRP   3           HB2      TRP   3   5.833  11.342  12.613
   19    HB3  TRP   3           HB1      TRP   3   4.546  11.247  13.809
   20    HD1  TRP   3           HD1      TRP   3   8.141   9.762  13.711
   21    HE1  TRP   3           HE1      TRP   3   9.267  10.294  15.959
   22    HE3  TRP   3           HE3      TRP   3   4.344  12.372  15.919
   23    HZ2  TRP   3           HZ2      TRP   3   8.635  11.649  18.354
   24    HZ3  TRP   3           HZ3      TRP   3   4.685  13.254  18.191
   25    HH2  TRP   3           HH2      TRP   3   6.787  12.898  19.382
   26    H    ARG   4           HN       ARG   4   7.377   8.173  12.902
   27    HA   ARG   4           HA       ARG   4   8.084   8.799  10.214
   28    HB2  ARG   4           HB2      ARG   4   9.221   6.840  12.210
   29    HB3  ARG   4           HB1      ARG   4   9.899   7.068  10.604
   30    HG2  ARG   4           HG2      ARG   4   9.664   9.175  12.743
   31    HG3  ARG   4           HG1      ARG   4  11.136   8.330  12.267
   32    HD2  ARG   4           HD2      ARG   4  10.917   9.266  10.003
   33    HD3  ARG   4           HD1      ARG   4   9.482  10.147  10.519
   34    HE   ARG   4           HE       ARG   4  12.243  10.757  11.176
   35   HH11  ARG   4          HH11      ARG   4   8.868  11.374  11.838
   36   HH12  ARG   4          HH12      ARG   4   9.168  12.916  12.566
   37   HH21  ARG   4          HH21      ARG   4  12.631  12.783  12.136
   38   HH22  ARG   4          HH22      ARG   4  11.301  13.715  12.735
   39    H    HIS   5           HN       HIS   5   6.682   6.005  11.827
   40    HA   HIS   5           HA       HIS   5   6.804   4.211   9.659
   41    HB2  HIS   5           HB2      HIS   5   4.788   4.339  11.918
   42    HB3  HIS   5           HB1      HIS   5   5.088   2.944  10.884
   43    HD1  HIS   5           HD1      HIS   5   5.436   2.838  13.974
   44    HD2  HIS   5           HD2      HIS   5   8.509   3.523  11.265
   45    HE1  HIS   5           HE1      HIS   5   7.545   2.170  15.168
   46    HE2  HIS   5           HE2      HIS   5   9.382   2.509  13.477
   47    H    LYS   6           HN       LYS   6   4.486   6.681  10.606
   48    HA   LYS   6           HA       LYS   6   2.759   5.964   8.370
   49    HB2  LYS   6           HB2      LYS   6   2.480   8.046  10.548
   50    HB3  LYS   6           HB1      LYS   6   1.320   7.839   9.244
   51    HG2  LYS   6           HG2      LYS   6   0.395   6.694  11.052
   52    HG3  LYS   6           HG1      LYS   6   1.100   5.431  10.042
   53    HD2  LYS   6           HD2      LYS   6   3.066   5.364  11.490
   54    HD3  LYS   6           HD1      LYS   6   2.382   6.649  12.487
   55    HE2  LYS   6           HE2      LYS   6   1.204   3.906  12.061
   56    HE3  LYS   6           HE1      LYS   6   2.038   4.462  13.510
   57    HZ1  LYS   6           HZ1      LYS   6  -0.500   5.572  12.438
   58    HZ2  LYS   6           HZ2      LYS   6   0.303   6.123  13.820
   59    HZ3  LYS   6           HZ3      LYS   6  -0.352   4.564  13.788
   60    H    ALA   7           HN       ALA   7   5.479   7.691   8.941
   61    HA   ALA   7           HA       ALA   7   5.055  10.012   7.367
   62    HB1  ALA   7           HB1      ALA   7   6.915   9.790   9.012
   63    HB2  ALA   7           HB2      ALA   7   7.453  10.289   7.410
   64    HB3  ALA   7           HB3      ALA   7   7.678   8.623   7.933
   65    H    VAL   8           HN       VAL   8   6.422   6.805   6.827
   66    HA   VAL   8           HA       VAL   8   6.722   7.281   4.014
   67    HB   VAL   8           HB       VAL   8   6.745   4.533   5.225
   68   HG11  VAL   8          HG11      VAL   8   8.421   4.142   3.471
   69   HG12  VAL   8          HG12      VAL   8   8.274   5.825   2.963
   70   HG13  VAL   8          HG13      VAL   8   6.901   4.731   2.797
   71   HG21  VAL   8          HG21      VAL   8   8.133   5.845   6.713
   72   HG22  VAL   8          HG22      VAL   8   8.973   6.570   5.343
   73   HG23  VAL   8          HG23      VAL   8   9.164   4.851   5.685
   74    H    CYS   9           HN       CYS   9   4.231   6.232   6.176
   75    HA   CYS   9           HA       CYS   9   2.543   4.733   4.564
   76    HB2  CYS   9           HB2      CYS   9   2.173   6.552   6.837
   77    HB3  CYS   9           HB1      CYS   9   0.780   6.481   5.786
   78    H    ARG  10           HN       ARG  10   2.143   8.203   5.105
   79    HA   ARG  10           HA       ARG  10   0.589   8.617   2.766
   80    HB2  ARG  10           HB2      ARG  10   1.951  10.617   4.570
   81    HB3  ARG  10           HB1      ARG  10   0.745  11.008   3.352
   82    HG2  ARG  10           HG2      ARG  10  -0.906   9.664   4.550
   83    HG3  ARG  10           HG1      ARG  10   0.305   9.270   5.772
   84    HD2  ARG  10           HD2      ARG  10  -1.151  11.073   6.529
   85    HD3  ARG  10           HD1      ARG  10   0.509  11.636   6.338
   86    HE   ARG  10           HE       ARG  10  -0.872  12.142   3.959
   87   HH11  ARG  10          HH11      ARG  10  -0.850  13.200   7.286
   88   HH12  ARG  10          HH12      ARG  10  -1.431  14.789   6.915
   89   HH21  ARG  10          HH21      ARG  10  -1.637  14.232   3.471
   90   HH22  ARG  10          HH22      ARG  10  -1.879  15.374   4.750
   91    H    ASP  11           HN       ASP  11   3.975   8.651   3.340
   92    HA   ASP  11           HA       ASP  11   4.599  10.306   1.057
   93    HB2  ASP  11           HB2      ASP  11   6.290   8.799   3.033
   94    HB3  ASP  11           HB1      ASP  11   6.987   9.563   1.611
   95    H    GLU  12           HN       GLU  12   3.302   7.423   1.022
   96    HA   GLU  12           HA       GLU  12   5.170   5.993  -0.636
   97    HB2  GLU  12           HB2      GLU  12   3.138   5.256   1.037
   98    HB3  GLU  12           HB1      GLU  12   2.366   5.075  -0.525
   99    HG2  GLU  12           HG2      GLU  12   3.270   2.980  -0.103
  100    HG3  GLU  12           HG1      GLU  12   4.453   3.732  -1.172
  101    H    ASP  13           HN       ASP  13   2.498   5.173  -2.259
  102    HA   ASP  13           HA       ASP  13   2.974   7.258  -4.255
  103    HB2  ASP  13           HB2      ASP  13   3.383   4.880  -4.946
  104    HB3  ASP  13           HB1      ASP  13   1.667   4.552  -4.730
  105    HA   PRO  14           HA       PRO  14  -0.951   9.061  -3.187
  106    HB2  PRO  14           HB2      PRO  14  -1.330  10.244  -5.696
  107    HB3  PRO  14           HB1      PRO  14  -0.528  10.989  -4.312
  108    HG2  PRO  14           HG2      PRO  14   0.655   9.628  -6.684
  109    HG3  PRO  14           HG1      PRO  14   1.251  11.030  -5.776
  110    HD2  PRO  14           HD2      PRO  14   2.353   8.606  -5.485
  111    HD3  PRO  14           HD1      PRO  14   2.174   9.710  -4.104
  112    H    GLU  15           HN       GLU  15  -0.295   7.069  -5.959
  113    HA   GLU  15           HA       GLU  15  -2.989   6.703  -6.770
  114    HB2  GLU  15           HB2      GLU  15  -0.566   4.945  -7.285
  115    HB3  GLU  15           HB1      GLU  15  -2.107   4.857  -8.130
  116    HG2  GLU  15           HG2      GLU  15  -0.275   7.242  -8.138
  117    HG3  GLU  15           HG1      GLU  15  -0.385   6.033  -9.417
  118    H    LEU  16           HN       LEU  16  -1.086   5.394  -4.200
  119    HA   LEU  16           HA       LEU  16  -2.630   3.000  -3.873
  120    HB2  LEU  16           HB2      LEU  16  -0.892   4.368  -1.810
  121    HB3  LEU  16           HB1      LEU  16  -1.438   2.701  -1.782
  122    HG   LEU  16           HG       LEU  16   0.834   3.902  -3.197
  123   HD11  LEU  16          HD11      LEU  16   0.104   1.107  -2.353
  124   HD12  LEU  16          HD12      LEU  16   1.279   2.184  -1.601
  125   HD13  LEU  16          HD13      LEU  16   1.597   1.510  -3.215
  126   HD21  LEU  16          HD21      LEU  16   0.602   2.162  -5.013
  127   HD22  LEU  16          HD22      LEU  16  -0.371   3.624  -5.169
  128   HD23  LEU  16          HD23      LEU  16  -1.106   2.128  -4.602
  129    H    PHE  17           HN       PHE  17  -3.243   6.237  -3.269
  130    HA   PHE  17           HA       PHE  17  -5.242   5.627  -1.211
  131    HB2  PHE  17           HB2      PHE  17  -4.133   8.283  -2.150
  132    HB3  PHE  17           HB1      PHE  17  -5.367   8.090  -0.909
  133    HD1  PHE  17           HD1      PHE  17  -4.805   7.247   1.286
  134    HD2  PHE  17           HD2      PHE  17  -1.825   7.715  -1.716
  135    HE1  PHE  17           HE1      PHE  17  -3.052   7.023   2.997
  136    HE2  PHE  17           HE2      PHE  17  -0.066   7.490  -0.010
  137    HZ   PHE  17           HZ       PHE  17  -0.679   7.143   2.350
  138    H    PHE  18           HN       PHE  18  -4.917   6.043  -4.533
  139    HA   PHE  18           HA       PHE  18  -7.796   6.603  -4.786
  140    HB2  PHE  18           HB2      PHE  18  -5.560   7.647  -6.533
  141    HB3  PHE  18           HB1      PHE  18  -7.268   7.761  -6.947
  142    HD1  PHE  18           HD1      PHE  18  -4.991   8.569  -4.102
  143    HD2  PHE  18           HD2      PHE  18  -8.347   9.720  -6.451
  144    HE1  PHE  18           HE1      PHE  18  -5.148  10.674  -2.838
  145    HE2  PHE  18           HE2      PHE  18  -8.511  11.828  -5.191
  146    HZ   PHE  18           HZ       PHE  18  -6.910  12.307  -3.383
  147    HA   PRO  19           HA       PRO  19  -7.749   2.775  -7.029
  148    HB2  PRO  19           HB2      PRO  19 -10.302   3.468  -8.234
  149    HB3  PRO  19           HB1      PRO  19  -9.952   2.269  -6.989
  150    HG2  PRO  19           HG2      PRO  19 -11.350   4.557  -6.516
  151    HG3  PRO  19           HG1      PRO  19 -10.388   3.728  -5.281
  152    HD2  PRO  19           HD2      PRO  19  -9.717   6.155  -6.898
  153    HD3  PRO  19           HD1      PRO  19  -9.387   5.808  -5.187
  154    H    VAL  20           HN       VAL  20  -6.904   2.165  -8.938
  155    HA   VAL  20           HA       VAL  20  -6.581   4.088 -11.052
  156    HB   VAL  20           HB       VAL  20  -5.784   1.176 -11.003
  157   HG11  VAL  20          HG11      VAL  20  -4.152   1.877 -12.724
  158   HG12  VAL  20          HG12      VAL  20  -4.895   3.476 -12.741
  159   HG13  VAL  20          HG13      VAL  20  -5.825   2.065 -13.247
  160   HG21  VAL  20          HG21      VAL  20  -3.554   2.013 -10.376
  161   HG22  VAL  20          HG22      VAL  20  -4.773   2.340  -9.144
  162   HG23  VAL  20          HG23      VAL  20  -4.230   3.633 -10.212
  163    H    GLY  21           HN       GLY  21  -7.194   3.739 -13.243
  164    HA2  GLY  21           HA2      GLY  21  -8.843   1.679 -14.161
  165    HA3  GLY  21           HA1      GLY  21  -9.886   2.958 -13.559
  166    H    ASN  22           HN       ASN  22  -7.697   4.934 -14.403
  167    HA   ASN  22           HA       ASN  22  -8.549   5.051 -17.206
  168    HB2  ASN  22           HB2      ASN  22  -7.543   7.248 -15.391
  169    HB3  ASN  22           HB1      ASN  22  -8.035   7.462 -17.068
  170   HD21  ASN  22          HD21      ASN  22  -9.097   6.844 -13.822
  171   HD22  ASN  22          HD22      ASN  22 -10.777   7.137 -14.099
  172    H    SER  23           HN       SER  23  -5.766   4.469 -15.278
  173    HA   SER  23           HA       SER  23  -4.135   4.680 -17.707
  174    HB2  SER  23           HB2      SER  23  -2.281   5.676 -16.416
  175    HB3  SER  23           HB1      SER  23  -3.702   6.723 -16.441
  176    HG   SER  23           HG       SER  23  -3.860   6.516 -14.353
  177    H    GLY  24           HN       GLY  24  -2.256   3.422 -17.751
  178    HA2  GLY  24           HA2      GLY  24  -2.417   0.992 -16.161
  179    HA3  GLY  24           HA1      GLY  24  -1.388   1.254 -17.564
  180    HA   PRO  25           HA       PRO  25   2.124   2.808 -15.291
  181    HB2  PRO  25           HB2      PRO  25   1.122   5.622 -15.181
  182    HB3  PRO  25           HB1      PRO  25   2.720   5.020 -15.640
  183    HG2  PRO  25           HG2      PRO  25   1.001   5.811 -17.503
  184    HG3  PRO  25           HG1      PRO  25   2.015   4.377 -17.758
  185    HD2  PRO  25           HD2      PRO  25  -0.884   4.557 -17.089
  186    HD3  PRO  25           HD1      PRO  25  -0.032   3.377 -18.104
  187    H    ALA  26           HN       ALA  26  -1.017   3.847 -14.213
  188    HA   ALA  26           HA       ALA  26  -0.339   4.676 -11.613
  189    HB1  ALA  26           HB1      ALA  26  -2.686   4.525 -12.981
  190    HB2  ALA  26           HB2      ALA  26  -2.552   4.834 -11.248
  191    HB3  ALA  26           HB3      ALA  26  -2.869   3.198 -11.826
  192    H    LEU  27           HN       LEU  27  -0.838   1.527 -13.000
  193    HA   LEU  27           HA       LEU  27  -0.883   0.082 -10.549
  194    HB2  LEU  27           HB2      LEU  27  -0.149  -0.791 -13.338
  195    HB3  LEU  27           HB1      LEU  27  -0.403  -1.880 -11.989
  196    HG   LEU  27           HG       LEU  27  -2.444  -2.048 -13.008
  197   HD11  LEU  27          HD11      LEU  27  -4.030  -1.030 -11.670
  198   HD12  LEU  27          HD12      LEU  27  -3.118   0.476 -11.560
  199   HD13  LEU  27          HD13      LEU  27  -2.579  -0.947 -10.670
  200   HD21  LEU  27          HD21      LEU  27  -3.523  -0.355 -14.305
  201   HD22  LEU  27          HD22      LEU  27  -1.826  -0.406 -14.781
  202   HD23  LEU  27          HD23      LEU  27  -2.407   0.877 -13.721
  203    H    ALA  28           HN       ALA  28   1.614   0.932 -12.875
  204    HA   ALA  28           HA       ALA  28   3.692  -0.464 -11.521
  205    HB1  ALA  28           HB1      ALA  28   3.891   1.836 -13.465
  206    HB2  ALA  28           HB2      ALA  28   3.874   0.126 -13.893
  207    HB3  ALA  28           HB3      ALA  28   5.219   0.789 -12.966
  208    H    GLN  29           HN       GLN  29   2.315   2.710 -11.369
  209    HA   GLN  29           HA       GLN  29   4.338   3.897  -9.717
  210    HB2  GLN  29           HB2      GLN  29   1.465   4.615 -10.358
  211    HB3  GLN  29           HB1      GLN  29   2.442   5.571  -9.247
  212    HG2  GLN  29           HG2      GLN  29   3.096   5.031 -12.134
  213    HG3  GLN  29           HG1      GLN  29   2.414   6.524 -11.489
  214   HE21  GLN  29          HE21      GLN  29   4.912   6.069 -12.930
  215   HE22  GLN  29          HE22      GLN  29   6.170   6.651 -11.899
  216    H    ILE  30           HN       ILE  30   1.096   2.650  -9.145
  217    HA   ILE  30           HA       ILE  30   1.067   2.777  -6.408
  218    HB   ILE  30           HB       ILE  30  -0.315   0.948  -8.345
  219   HG12  ILE  30          HG12      ILE  30  -1.282   3.248  -6.643
  220   HG13  ILE  30          HG11      ILE  30  -1.017   3.276  -8.376
  221   HG21  ILE  30          HG21      ILE  30  -0.088   0.671  -5.471
  222   HG22  ILE  30          HG22      ILE  30  -0.692  -0.465  -6.688
  223   HG23  ILE  30          HG23      ILE  30  -1.762   0.770  -6.022
  224   HD11  ILE  30          HD11      ILE  30  -2.790   1.599  -8.638
  225   HD12  ILE  30          HD12      ILE  30  -3.359   3.099  -7.907
  226   HD13  ILE  30          HD13      ILE  30  -3.084   1.675  -6.902
  227    H    ALA  31           HN       ALA  31   2.166   0.230  -8.523
  228    HA   ALA  31           HA       ALA  31   2.642  -1.745  -6.597
  229    HB1  ALA  31           HB1      ALA  31   4.065  -1.307  -9.222
  230    HB2  ALA  31           HB2      ALA  31   2.568  -2.211  -8.997
  231    HB3  ALA  31           HB3      ALA  31   4.068  -2.796  -8.277
  232    H    ASP  32           HN       ASP  32   4.404   1.089  -7.483
  233    HA   ASP  32           HA       ASP  32   6.946   0.191  -6.493
  234    HB2  ASP  32           HB2      ASP  32   5.945   2.951  -7.223
  235    HB3  ASP  32           HB1      ASP  32   7.594   2.607  -6.711
  236    H    ALA  33           HN       ALA  33   4.270   2.120  -5.374
  237    HA   ALA  33           HA       ALA  33   5.473   2.805  -2.895
  238    HB1  ALA  33           HB1      ALA  33   2.737   2.958  -4.031
  239    HB2  ALA  33           HB2      ALA  33   3.759   4.212  -3.331
  240    HB3  ALA  33           HB3      ALA  33   2.928   3.074  -2.281
  241    H    LYS  34           HN       LYS  34   3.553   0.120  -4.061
  242    HA   LYS  34           HA       LYS  34   2.902  -1.077  -1.623
  243    HB2  LYS  34           HB2      LYS  34   1.901  -1.811  -3.713
  244    HB3  LYS  34           HB1      LYS  34   3.465  -2.359  -4.302
  245    HG2  LYS  34           HG2      LYS  34   3.417  -3.861  -2.162
  246    HG3  LYS  34           HG1      LYS  34   1.679  -3.576  -2.251
  247    HD2  LYS  34           HD2      LYS  34   1.529  -4.569  -4.390
  248    HD3  LYS  34           HD1      LYS  34   3.281  -4.547  -4.603
  249    HE2  LYS  34           HE2      LYS  34   1.755  -6.207  -2.598
  250    HE3  LYS  34           HE1      LYS  34   2.478  -6.797  -4.095
  251    HZ1  LYS  34           HZ1      LYS  34   3.906  -5.702  -1.735
  252    HZ2  LYS  34           HZ2      LYS  34   4.655  -6.061  -3.209
  253    HZ3  LYS  34           HZ3      LYS  34   3.940  -7.296  -2.302
  254    H    LEU  35           HN       LEU  35   5.808  -1.500  -3.677
  255    HA   LEU  35           HA       LEU  35   6.949  -3.483  -1.968
  256    HB2  LEU  35           HB2      LEU  35   8.099  -1.736  -4.130
  257    HB3  LEU  35           HB1      LEU  35   9.106  -2.822  -3.191
  258    HG   LEU  35           HG       LEU  35   8.587  -3.947  -5.212
  259   HD11  LEU  35          HD11      LEU  35   6.685  -5.018  -3.137
  260   HD12  LEU  35          HD12      LEU  35   8.428  -5.287  -3.134
  261   HD13  LEU  35          HD13      LEU  35   7.441  -5.916  -4.453
  262   HD21  LEU  35          HD21      LEU  35   5.728  -3.186  -4.662
  263   HD22  LEU  35          HD22      LEU  35   6.228  -4.322  -5.915
  264   HD23  LEU  35          HD23      LEU  35   6.749  -2.638  -5.990
  265    H    VAL  36           HN       VAL  36   7.392  -0.010  -2.319
  266    HA   VAL  36           HA       VAL  36   9.410   0.259  -0.349
  267    HB   VAL  36           HB       VAL  36   7.398   2.316  -1.282
  268   HG11  VAL  36          HG11      VAL  36  10.012   2.671   0.183
  269   HG12  VAL  36          HG12      VAL  36   8.401   2.947   0.845
  270   HG13  VAL  36          HG13      VAL  36   9.007   3.972  -0.455
  271   HG21  VAL  36          HG21      VAL  36   9.094   3.058  -2.817
  272   HG22  VAL  36          HG22      VAL  36   8.823   1.333  -3.067
  273   HG23  VAL  36          HG23      VAL  36  10.244   1.883  -2.180
  274    H    CYS  37           HN       CYS  37   5.928   0.175  -0.211
  275    HA   CYS  37           HA       CYS  37   5.649   1.091   2.472
  276    HB2  CYS  37           HB2      CYS  37   3.775   1.306   1.003
  277    HB3  CYS  37           HB1      CYS  37   3.824  -0.399   0.581
  278    H    ASN  38           HN       ASN  38   6.276  -1.990   0.981
  279    HA   ASN  38           HA       ASN  38   5.633  -3.528   3.329
  280    HB2  ASN  38           HB2      ASN  38   6.950  -4.247   0.711
  281    HB3  ASN  38           HB1      ASN  38   6.681  -5.409   2.006
  282   HD21  ASN  38          HD21      ASN  38   5.327  -6.641   0.698
  283   HD22  ASN  38          HD22      ASN  38   3.719  -6.139   0.317
  284    H    ARG  39           HN       ARG  39   8.511  -2.076   1.945
  285    HA   ARG  39           HA       ARG  39  10.235  -3.516   3.801
  286    HB2  ARG  39           HB2      ARG  39  10.896  -1.419   1.729
  287    HB3  ARG  39           HB1      ARG  39  12.074  -2.314   2.679
  288    HG2  ARG  39           HG2      ARG  39  11.319  -4.400   1.659
  289    HG3  ARG  39           HG1      ARG  39  10.134  -3.504   0.707
  290    HD2  ARG  39           HD2      ARG  39  11.945  -2.258  -0.368
  291    HD3  ARG  39           HD1      ARG  39  13.128  -3.153   0.584
  292    HE   ARG  39           HE       ARG  39  11.540  -4.991  -0.803
  293   HH11  ARG  39          HH11      ARG  39  13.926  -2.530  -1.457
  294   HH12  ARG  39          HH12      ARG  39  14.505  -3.297  -2.897
  295   HH21  ARG  39          HH21      ARG  39  12.299  -6.001  -2.698
  296   HH22  ARG  39          HH22      ARG  39  13.581  -5.267  -3.603
  297    H    CYS  40           HN       CYS  40   8.352  -0.761   3.917
  298    HA   CYS  40           HA       CYS  40  10.104   0.891   5.473
  299    HB2  CYS  40           HB2      CYS  40   8.583   2.307   4.585
  300    HB3  CYS  40           HB1      CYS  40   7.370   1.050   4.412
  301    HA   PRO  41           HA       PRO  41   9.948  -0.576   9.618
  302    HB2  PRO  41           HB2      PRO  41   8.380   1.928  10.128
  303    HB3  PRO  41           HB1      PRO  41   9.691   1.220  11.080
  304    HG2  PRO  41           HG2      PRO  41  10.140   3.260   9.406
  305    HG3  PRO  41           HG1      PRO  41  11.328   1.964   9.625
  306    HD2  PRO  41           HD2      PRO  41   9.614   2.557   7.305
  307    HD3  PRO  41           HD1      PRO  41  11.112   1.611   7.388
  308    H    VAL  42           HN       VAL  42   8.654  -2.266   9.971
  309    HA   VAL  42           HA       VAL  42   5.877  -2.311   9.369
  310    HB   VAL  42           HB       VAL  42   7.249  -4.340   9.295
  311   HG11  VAL  42          HG11      VAL  42   7.376  -4.059  12.295
  312   HG12  VAL  42          HG12      VAL  42   8.725  -3.883  11.173
  313   HG13  VAL  42          HG13      VAL  42   7.939  -5.450  11.369
  314   HG21  VAL  42          HG21      VAL  42   5.692  -5.841  10.481
  315   HG22  VAL  42          HG22      VAL  42   4.857  -4.592   9.557
  316   HG23  VAL  42          HG23      VAL  42   5.006  -4.442  11.308
  317    H    THR  43           HN       THR  43   4.135  -2.028  10.627
  318    HA   THR  43           HA       THR  43   4.503  -1.544  13.500
  319    HB   THR  43           HB       THR  43   2.899   0.310  13.420
  320    HG1  THR  43           HG1      THR  43   1.834  -0.301  11.466
  321   HG21  THR  43          HG21      THR  43   5.181   0.763  11.514
  322   HG22  THR  43          HG22      THR  43   5.315   0.762  13.273
  323   HG23  THR  43          HG23      THR  43   4.330   1.980  12.464
  324    H    THR  44           HN       THR  44   2.472  -1.561  14.706
  325    HA   THR  44           HA       THR  44   0.956  -3.853  14.282
  326    HB   THR  44           HB       THR  44   0.111  -1.388  15.828
  327    HG1  THR  44           HG1      THR  44   1.380  -2.091  17.400
  328   HG21  THR  44          HG21      THR  44  -1.264  -2.955  17.124
  329   HG22  THR  44          HG22      THR  44  -0.762  -4.272  16.062
  330   HG23  THR  44          HG23      THR  44  -1.733  -2.944  15.424
  331    H    GLU  45           HN       GLU  45   0.653  -0.621  13.028
  332    HA   GLU  45           HA       GLU  45  -2.061  -0.634  12.286
  333    HB2  GLU  45           HB2      GLU  45   0.268   0.711  10.897
  334    HB3  GLU  45           HB1      GLU  45  -1.429   1.098  10.653
  335    HG2  GLU  45           HG2      GLU  45   0.123   1.430  13.210
  336    HG3  GLU  45           HG1      GLU  45  -0.376   2.716  12.112
  337    H    CYS  46           HN       CYS  46   0.830  -1.701  10.565
  338    HA   CYS  46           HA       CYS  46  -0.538  -2.444   8.181
  339    HB2  CYS  46           HB2      CYS  46   2.028  -3.790   8.817
  340    HB3  CYS  46           HB1      CYS  46   1.513  -2.989   7.338
  341    H    LEU  47           HN       LEU  47   0.645  -4.270  11.001
  342    HA   LEU  47           HA       LEU  47  -0.121  -6.819  10.056
  343    HB2  LEU  47           HB2      LEU  47   0.237  -5.761  12.857
  344    HB3  LEU  47           HB1      LEU  47  -0.147  -7.437  12.515
  345    HG   LEU  47           HG       LEU  47   1.976  -7.491  11.110
  346   HD11  LEU  47          HD11      LEU  47   2.411  -4.909  12.592
  347   HD12  LEU  47          HD12      LEU  47   2.328  -5.129  10.843
  348   HD13  LEU  47          HD13      LEU  47   3.674  -5.813  11.755
  349   HD21  LEU  47          HD21      LEU  47   2.179  -7.027  14.082
  350   HD22  LEU  47          HD22      LEU  47   3.396  -7.820  13.082
  351   HD23  LEU  47          HD23      LEU  47   1.807  -8.557  13.288
  352    H    SER  48           HN       SER  48  -1.758  -4.421  12.046
  353    HA   SER  48           HA       SER  48  -4.082  -5.883  12.594
  354    HB2  SER  48           HB2      SER  48  -3.532  -3.805  13.779
  355    HB3  SER  48           HB1      SER  48  -3.764  -2.888  12.291
  356    HG   SER  48           HG       SER  48  -5.960  -3.628  12.318
  357    H    TRP  49           HN       TRP  49  -3.113  -3.998   9.845
  358    HA   TRP  49           HA       TRP  49  -5.606  -3.847   8.538
  359    HB2  TRP  49           HB2      TRP  49  -3.726  -2.437   7.857
  360    HB3  TRP  49           HB1      TRP  49  -2.808  -3.861   7.378
  361    HD1  TRP  49           HD1      TRP  49  -3.089  -4.660   4.938
  362    HE1  TRP  49           HE1      TRP  49  -4.609  -3.996   2.971
  363    HE3  TRP  49           HE3      TRP  49  -6.277  -1.513   7.402
  364    HZ2  TRP  49           HZ2      TRP  49  -6.862  -2.358   2.523
  365    HZ3  TRP  49           HZ3      TRP  49  -8.089  -0.439   6.131
  366    HH2  TRP  49           HH2      TRP  49  -8.374  -0.852   3.742
  367    H    ALA  50           HN       ALA  50  -2.978  -6.201   8.479
  368    HA   ALA  50           HA       ALA  50  -3.983  -7.885   6.476
  369    HB1  ALA  50           HB1      ALA  50  -2.323  -8.633   8.885
  370    HB2  ALA  50           HB2      ALA  50  -1.697  -8.051   7.342
  371    HB3  ALA  50           HB3      ALA  50  -2.531  -9.603   7.427
  372    H    LEU  51           HN       LEU  51  -4.564  -7.779   9.968
  373    HA   LEU  51           HA       LEU  51  -6.194 -10.113  10.014
  374    HB2  LEU  51           HB2      LEU  51  -5.862  -7.833  11.945
  375    HB3  LEU  51           HB1      LEU  51  -6.990  -9.142  12.236
  376    HG   LEU  51           HG       LEU  51  -5.019  -9.625  13.471
  377   HD11  LEU  51          HD11      LEU  51  -4.933 -11.290  10.963
  378   HD12  LEU  51          HD12      LEU  51  -6.063 -11.521  12.298
  379   HD13  LEU  51          HD13      LEU  51  -4.333 -11.747  12.557
  380   HD21  LEU  51          HD21      LEU  51  -2.804  -9.790  12.421
  381   HD22  LEU  51          HD22      LEU  51  -3.465  -8.157  12.336
  382   HD23  LEU  51          HD23      LEU  51  -3.489  -9.195  10.910
  383    H    ASN  52           HN       ASN  52  -6.789  -6.725   9.525
  384    HA   ASN  52           HA       ASN  52  -9.625  -6.866   9.712
  385    HB2  ASN  52           HB2      ASN  52  -7.792  -4.810   8.475
  386    HB3  ASN  52           HB1      ASN  52  -9.540  -4.621   8.570
  387   HD21  ASN  52          HD21      ASN  52  -9.340  -2.791   9.858
  388   HD22  ASN  52          HD22      ASN  52  -8.888  -2.886  11.523
  389    H    THR  53           HN       THR  53  -7.318  -7.382   7.185
  390    HA   THR  53           HA       THR  53  -9.463  -7.629   5.194
  391    HB   THR  53           HB       THR  53  -7.758  -7.545   3.493
  392    HG1  THR  53           HG1      THR  53  -5.977  -7.746   5.700
  393   HG21  THR  53          HG21      THR  53  -7.293  -5.487   5.649
  394   HG22  THR  53          HG22      THR  53  -8.466  -5.393   4.335
  395   HG23  THR  53          HG23      THR  53  -6.739  -5.336   3.982
  396    H    GLY  54           HN       GLY  54  -7.823  -9.523   7.339
  397    HA2  GLY  54           HA2      GLY  54  -7.650 -11.793   7.594
  398    HA3  GLY  54           HA1      GLY  54  -8.785 -11.942   6.263
  399    H    GLN  55           HN       GLN  55  -5.593 -10.420   6.093
  400    HA   GLN  55           HA       GLN  55  -4.887 -12.356   4.017
  401    HB2  GLN  55           HB2      GLN  55  -3.647  -9.725   4.829
  402    HB3  GLN  55           HB1      GLN  55  -2.976 -10.777   3.589
  403    HG2  GLN  55           HG2      GLN  55  -4.984 -10.537   2.259
  404    HG3  GLN  55           HG1      GLN  55  -5.722  -9.548   3.517
  405   HE21  GLN  55          HE21      GLN  55  -5.983  -7.797   2.145
  406   HE22  GLN  55          HE22      GLN  55  -4.654  -6.827   1.618
  407    H    ASP  56           HN       ASP  56  -3.415 -13.908   4.289
  408    HA   ASP  56           HA       ASP  56  -2.256 -14.312   6.889
  409    HB2  ASP  56           HB2      ASP  56  -1.927 -15.887   4.326
  410    HB3  ASP  56           HB1      ASP  56  -1.361 -16.397   5.914
  411    H    SER  57           HN       SER  57  -0.861 -12.490   7.066
  412    HA   SER  57           HA       SER  57   1.766 -12.998   5.979
  413    HB2  SER  57           HB2      SER  57   2.040 -10.733   5.032
  414    HB3  SER  57           HB1      SER  57   0.789 -11.647   4.190
  415    HG   SER  57           HG       SER  57   0.430  -9.619   6.139
  416    H    GLY  58           HN       GLY  58   3.429 -11.979   7.127
  417    HA2  GLY  58           HA2      GLY  58   2.586 -10.960   9.745
  418    HA3  GLY  58           HA1      GLY  58   4.180 -11.588   9.346
  419    H    VAL  59           HN       VAL  59   5.501 -10.262   7.851
  420    HA   VAL  59           HA       VAL  59   5.260  -7.453   8.588
  421    HB   VAL  59           HB       VAL  59   7.490  -8.827   7.078
  422   HG11  VAL  59          HG11      VAL  59   7.420  -6.422   6.715
  423   HG12  VAL  59          HG12      VAL  59   8.807  -6.859   7.713
  424   HG13  VAL  59          HG13      VAL  59   7.377  -6.146   8.457
  425   HG21  VAL  59          HG21      VAL  59   7.263  -8.187  10.018
  426   HG22  VAL  59          HG22      VAL  59   8.700  -8.814   9.212
  427   HG23  VAL  59          HG23      VAL  59   7.238  -9.796   9.296
  428    H    TRP  60           HN       TRP  60   3.436  -6.994   7.228
  429    HA   TRP  60           HA       TRP  60   4.112  -6.816   4.365
  430    HB2  TRP  60           HB2      TRP  60   2.198  -8.316   4.898
  431    HB3  TRP  60           HB1      TRP  60   1.355  -6.943   5.606
  432    HD1  TRP  60           HD1      TRP  60  -0.031  -5.461   4.001
  433    HE1  TRP  60           HE1      TRP  60  -0.410  -5.411   1.456
  434    HE3  TRP  60           HE3      TRP  60   3.548  -8.823   2.580
  435    HZ2  TRP  60           HZ2      TRP  60   0.664  -6.635  -0.849
  436    HZ3  TRP  60           HZ3      TRP  60   3.806  -9.330   0.186
  437    HH2  TRP  60           HH2      TRP  60   2.393  -8.257  -1.492
  438    H    GLY  61           HN       GLY  61   3.396  -4.933   3.218
  439    HA2  GLY  61           HA2      GLY  61   3.943  -2.519   4.509
  440    HA3  GLY  61           HA1      GLY  61   3.152  -2.668   2.948
  441    H    GLY  62           HN       GLY  62   0.759  -3.573   3.284
  442    HA2  GLY  62           HA2      GLY  62  -1.268  -3.413   4.493
  443    HA3  GLY  62           HA1      GLY  62  -0.488  -2.297   5.604
  444    H    MET  63           HN       MET  63  -1.992  -2.640   2.456
  445    HA   MET  63           HA       MET  63  -2.490   0.252   2.470
  446    HB2  MET  63           HB2      MET  63  -0.736  -0.859   0.732
  447    HB3  MET  63           HB1      MET  63  -2.227  -1.005  -0.188
  448    HG2  MET  63           HG2      MET  63  -1.048   1.053  -0.727
  449    HG3  MET  63           HG1      MET  63  -2.611   1.385   0.016
  450    HE1  MET  63           HE1      MET  63  -1.717   3.842   0.224
  451    HE2  MET  63           HE2      MET  63  -0.034   3.539  -0.211
  452    HE3  MET  63           HE3      MET  63  -0.420   4.353   1.304
  453    H    SER  64           HN       SER  64  -4.308   0.840   0.939
  454    HA   SER  64           HA       SER  64  -6.609  -0.569   1.694
  455    HB2  SER  64           HB2      SER  64  -7.809   1.023   0.274
  456    HB3  SER  64           HB1      SER  64  -6.598   1.848   1.256
  457    HG   SER  64           HG       SER  64  -6.676   2.444  -1.029
  458    H    GLU  65           HN       GLU  65  -8.266  -1.268   0.201
  459    HA   GLU  65           HA       GLU  65  -7.499  -3.483  -1.293
  460    HB2  GLU  65           HB2      GLU  65 -10.057  -1.883  -1.508
  461    HB3  GLU  65           HB1      GLU  65  -9.820  -3.508  -2.134
  462    HG2  GLU  65           HG2      GLU  65  -9.450  -4.331   0.135
  463    HG3  GLU  65           HG1      GLU  65  -9.688  -2.702   0.762
  464    H    ASP  66           HN       ASP  66  -7.954  -0.145  -2.230
  465    HA   ASP  66           HA       ASP  66  -8.040  -0.497  -5.014
  466    HB2  ASP  66           HB2      ASP  66  -6.982   1.829  -3.395
  467    HB3  ASP  66           HB1      ASP  66  -7.284   1.873  -5.129
  468    H    GLU  67           HN       GLU  67  -5.437  -0.357  -2.720
  469    HA   GLU  67           HA       GLU  67  -3.320  -0.217  -4.620
  470    HB2  GLU  67           HB2      GLU  67  -2.968   0.458  -2.301
  471    HB3  GLU  67           HB1      GLU  67  -3.348  -1.165  -1.746
  472    HG2  GLU  67           HG2      GLU  67  -1.049  -0.615  -3.592
  473    HG3  GLU  67           HG1      GLU  67  -0.899  -0.494  -1.842
  474    H    ARG  68           HN       ARG  68  -5.041  -2.809  -2.966
  475    HA   ARG  68           HA       ARG  68  -3.407  -4.949  -3.763
  476    HB2  ARG  68           HB2      ARG  68  -5.119  -5.160  -2.021
  477    HB3  ARG  68           HB1      ARG  68  -6.383  -4.922  -3.220
  478    HG2  ARG  68           HG2      ARG  68  -6.156  -7.268  -2.641
  479    HG3  ARG  68           HG1      ARG  68  -5.729  -6.993  -4.331
  480    HD2  ARG  68           HD2      ARG  68  -4.155  -8.520  -3.267
  481    HD3  ARG  68           HD1      ARG  68  -3.359  -7.020  -3.744
  482    HE   ARG  68           HE       ARG  68  -4.199  -6.770  -1.087
  483   HH11  ARG  68          HH11      ARG  68  -1.896  -8.590  -2.975
  484   HH12  ARG  68          HH12      ARG  68  -0.776  -8.769  -1.668
  485   HH21  ARG  68          HH21      ARG  68  -2.725  -7.004   0.635
  486   HH22  ARG  68          HH22      ARG  68  -1.246  -7.870   0.382
  487    H    ARG  69           HN       ARG  69  -6.247  -3.484  -5.306
  488    HA   ARG  69           HA       ARG  69  -6.338  -5.273  -7.502
  489    HB2  ARG  69           HB2      ARG  69  -8.256  -3.879  -6.841
  490    HB3  ARG  69           HB1      ARG  69  -7.364  -2.434  -7.297
  491    HG2  ARG  69           HG2      ARG  69  -7.309  -3.197  -9.617
  492    HG3  ARG  69           HG1      ARG  69  -8.208  -4.645  -9.159
  493    HD2  ARG  69           HD2      ARG  69  -9.700  -2.987 -10.120
  494    HD3  ARG  69           HD1      ARG  69 -10.075  -3.241  -8.415
  495    HE   ARG  69           HE       ARG  69  -8.312  -1.103  -8.550
  496   HH11  ARG  69          HH11      ARG  69 -11.538  -1.868  -9.641
  497   HH12  ARG  69          HH12      ARG  69 -12.083  -0.226  -9.581
  498   HH21  ARG  69          HH21      ARG  69  -9.028   1.058  -8.471
  499   HH22  ARG  69          HH22      ARG  69 -10.658   1.436  -8.916
  500    H    ALA  70           HN       ALA  70  -4.749  -2.194  -6.932
  501    HA   ALA  70           HA       ALA  70  -3.833  -1.660  -9.522
  502    HB1  ALA  70           HB1      ALA  70  -2.137  -0.263  -8.408
  503    HB2  ALA  70           HB2      ALA  70  -2.605  -0.973  -6.861
  504    HB3  ALA  70           HB3      ALA  70  -3.761  -0.003  -7.772
  505    H    LEU  71           HN       LEU  71  -2.636  -3.726  -6.996
  506    HA   LEU  71           HA       LEU  71  -0.083  -4.278  -8.152
  507    HB2  LEU  71           HB2      LEU  71  -0.355  -4.564  -5.798
  508    HB3  LEU  71           HB1      LEU  71  -1.720  -5.641  -6.022
  509    HG   LEU  71           HG       LEU  71  -0.178  -7.308  -7.046
  510   HD11  LEU  71          HD11      LEU  71   1.911  -5.311  -6.204
  511   HD12  LEU  71          HD12      LEU  71   1.581  -5.895  -7.834
  512   HD13  LEU  71          HD13      LEU  71   2.252  -6.989  -6.625
  513   HD21  LEU  71          HD21      LEU  71   0.986  -7.861  -4.878
  514   HD22  LEU  71          HD22      LEU  71  -0.762  -7.645  -4.782
  515   HD23  LEU  71          HD23      LEU  71   0.317  -6.361  -4.236
  516    H    LYS  72           HN       LYS  72  -3.184  -6.013  -8.040
  517    HA   LYS  72           HA       LYS  72  -2.336  -8.290  -9.445
  518    HB2  LYS  72           HB2      LYS  72  -4.400  -8.238  -8.124
  519    HB3  LYS  72           HB1      LYS  72  -5.100  -7.092  -9.257
  520    HG2  LYS  72           HG2      LYS  72  -6.034  -8.988 -10.062
  521    HG3  LYS  72           HG1      LYS  72  -4.528  -9.029 -10.979
  522    HD2  LYS  72           HD2      LYS  72  -5.085 -10.492  -8.399
  523    HD3  LYS  72           HD1      LYS  72  -5.014 -11.211 -10.007
  524    HE2  LYS  72           HE2      LYS  72  -2.650 -10.436 -10.171
  525    HE3  LYS  72           HE1      LYS  72  -2.756  -9.913  -8.490
  526    HZ1  LYS  72           HZ1      LYS  72  -3.228 -12.193  -7.847
  527    HZ2  LYS  72           HZ2      LYS  72  -1.753 -12.099  -8.670
  528    HZ3  LYS  72           HZ3      LYS  72  -3.125 -12.696  -9.459
  529    H    ARG  73           HN       ARG  73  -3.663  -5.242 -10.516
  530    HA   ARG  73           HA       ARG  73  -3.936  -5.998 -13.250
  531    HB2  ARG  73           HB2      ARG  73  -5.220  -4.141 -12.256
  532    HB3  ARG  73           HB1      ARG  73  -3.729  -3.234 -12.041
  533    HG2  ARG  73           HG2      ARG  73  -3.411  -3.077 -14.412
  534    HG3  ARG  73           HG1      ARG  73  -4.784  -4.145 -14.708
  535    HD2  ARG  73           HD2      ARG  73  -6.288  -2.496 -13.722
  536    HD3  ARG  73           HD1      ARG  73  -4.920  -1.433 -13.395
  537    HE   ARG  73           HE       ARG  73  -4.755  -1.827 -16.059
  538   HH11  ARG  73          HH11      ARG  73  -7.367  -0.838 -13.968
  539   HH12  ARG  73          HH12      ARG  73  -8.139   0.128 -15.182
  540   HH21  ARG  73          HH21      ARG  73  -5.766  -0.556 -17.656
  541   HH22  ARG  73          HH22      ARG  73  -7.229   0.288 -17.275
  542    H    ARG  74           HN       ARG  74  -1.388  -4.558 -11.325
  543    HA   ARG  74           HA       ARG  74   0.273  -3.694 -13.432
  544    HB2  ARG  74           HB2      ARG  74   0.383  -3.274 -10.839
  545    HB3  ARG  74           HB1      ARG  74   1.401  -4.707 -10.848
  546    HG2  ARG  74           HG2      ARG  74   1.898  -2.159 -12.373
  547    HG3  ARG  74           HG1      ARG  74   2.749  -2.700 -10.926
  548    HD2  ARG  74           HD2      ARG  74   3.439  -4.740 -12.228
  549    HD3  ARG  74           HD1      ARG  74   2.782  -3.954 -13.662
  550    HE   ARG  74           HE       ARG  74   4.567  -2.188 -12.435
  551   HH11  ARG  74          HH11      ARG  74   4.604  -5.245 -14.118
  552   HH12  ARG  74          HH12      ARG  74   6.207  -5.028 -14.736
  553   HH21  ARG  74          HH21      ARG  74   6.676  -1.902 -13.246
  554   HH22  ARG  74          HH22      ARG  74   7.384  -3.131 -14.241
  555    H    ASN  75           HN       ASN  75   0.083  -6.750 -11.652
  556    HA   ASN  75           HA       ASN  75   2.276  -7.961 -13.015
  557    HB2  ASN  75           HB2      ASN  75   0.098  -8.975 -11.214
  558    HB3  ASN  75           HB1      ASN  75   1.140 -10.108 -12.066
  559   HD21  ASN  75          HD21      ASN  75   2.200  -6.978 -10.873
  560   HD22  ASN  75          HD22      ASN  75   3.250  -7.597  -9.652
  561    H    ALA  76           HN       ALA  76  -1.165  -7.751 -13.575
  562    HA   ALA  76           HA       ALA  76  -2.481  -8.372 -15.325
  563    HB1  ALA  76           HB1      ALA  76  -0.816  -7.141 -16.632
  564    HB2  ALA  76           HB2      ALA  76  -1.458  -8.516 -17.531
  565    HB3  ALA  76           HB3      ALA  76   0.142  -8.614 -16.796
  Start of MODEL    7
    1    H1   MET   1           HT1      MET   1  10.551   7.666  17.120
    2    H2   MET   1           HT2      MET   1   9.155   6.807  17.532
    3    H3   MET   1           HT3      MET   1   9.055   8.127  16.478
    4    HA   MET   1           HA       MET   1  10.478   6.923  14.889
    5    HB2  MET   1           HB2      MET   1   9.958   4.631  16.794
    6    HB3  MET   1           HB1      MET   1  10.715   4.489  15.213
    7    HG2  MET   1           HG2      MET   1  12.558   5.905  15.973
    8    HG3  MET   1           HG1      MET   1  11.800   6.031  17.559
    9    HE1  MET   1           HE1      MET   1  10.639   3.066  17.904
   10    HE2  MET   1           HE2      MET   1  11.452   3.950  19.195
   11    HE3  MET   1           HE3      MET   1  11.954   2.307  18.799
   12    H    ASP   2           HN       ASP   2   7.546   6.285  16.659
   13    HA   ASP   2           HA       ASP   2   6.174   4.689  14.833
   14    HB2  ASP   2           HB2      ASP   2   5.062   6.824  16.667
   15    HB3  ASP   2           HB1      ASP   2   4.116   5.562  15.883
   16    H    TRP   3           HN       TRP   3   6.527   8.202  14.997
   17    HA   TRP   3           HA       TRP   3   4.726   8.847  12.941
   18    HB2  TRP   3           HB2      TRP   3   6.108  10.961  12.746
   19    HB3  TRP   3           HB1      TRP   3   5.484  10.610  14.355
   20    HD1  TRP   3           HD1      TRP   3   7.278   9.746  16.194
   21    HE1  TRP   3           HE1      TRP   3   9.811  10.123  16.372
   22    HE3  TRP   3           HE3      TRP   3   8.211  11.265  11.403
   23    HZ2  TRP   3           HZ2      TRP   3  11.933  10.965  14.708
   24    HZ3  TRP   3           HZ3      TRP   3  10.520  11.842  10.777
   25    HH2  TRP   3           HH2      TRP   3  12.342  11.695  12.397
   26    H    ARG   4           HN       ARG   4   8.017   7.692  12.899
   27    HA   ARG   4           HA       ARG   4   8.579   8.332  10.184
   28    HB2  ARG   4           HB2      ARG   4   9.822   6.221  11.956
   29    HB3  ARG   4           HB1      ARG   4  10.483   6.799  10.433
   30    HG2  ARG   4           HG2      ARG   4  10.637   9.072  11.442
   31    HG3  ARG   4           HG1      ARG   4  10.153   8.361  12.982
   32    HD2  ARG   4           HD2      ARG   4  12.606   7.675  11.368
   33    HD3  ARG   4           HD1      ARG   4  12.563   8.566  12.888
   34    HE   ARG   4           HE       ARG   4  11.355   6.083  13.305
   35   HH11  ARG   4          HH11      ARG   4  14.504   7.389  12.559
   36   HH12  ARG   4          HH12      ARG   4  15.361   6.091  13.320
   37   HH21  ARG   4          HH21      ARG   4  12.481   4.373  14.306
   38   HH22  ARG   4          HH22      ARG   4  14.214   4.379  14.311
   39    H    HIS   5           HN       HIS   5   7.380   5.419  11.820
   40    HA   HIS   5           HA       HIS   5   7.372   3.751   9.550
   41    HB2  HIS   5           HB2      HIS   5   5.571   3.648  11.982
   42    HB3  HIS   5           HB1      HIS   5   5.818   2.338  10.833
   43    HD1  HIS   5           HD1      HIS   5   7.574   4.218  13.571
   44    HD2  HIS   5           HD2      HIS   5   8.113   0.828  11.236
   45    HE1  HIS   5           HE1      HIS   5   9.520   3.001  14.596
   46    HE2  HIS   5           HE2      HIS   5   9.773   0.909  13.216
   47    H    LYS   6           HN       LYS   6   5.061   6.076  10.814
   48    HA   LYS   6           HA       LYS   6   3.167   5.390   8.708
   49    HB2  LYS   6           HB2      LYS   6   3.041   7.276  11.060
   50    HB3  LYS   6           HB1      LYS   6   1.819   7.284   9.796
   51    HG2  LYS   6           HG2      LYS   6   1.076   5.980  11.691
   52    HG3  LYS   6           HG1      LYS   6   1.302   4.942  10.283
   53    HD2  LYS   6           HD2      LYS   6   3.454   4.206  11.154
   54    HD3  LYS   6           HD1      LYS   6   3.276   5.283  12.540
   55    HE2  LYS   6           HE2      LYS   6   1.470   2.967  11.855
   56    HE3  LYS   6           HE1      LYS   6   2.705   2.974  13.113
   57    HZ1  LYS   6           HZ1      LYS   6   0.303   4.719  13.029
   58    HZ2  LYS   6           HZ2      LYS   6   1.494   4.750  14.229
   59    HZ3  LYS   6           HZ3      LYS   6   0.521   3.380  14.040
   60    H    ALA   7           HN       ALA   7   5.877   7.183   9.095
   61    HA   ALA   7           HA       ALA   7   5.244   9.544   7.651
   62    HB1  ALA   7           HB1      ALA   7   7.945   8.209   7.899
   63    HB2  ALA   7           HB2      ALA   7   7.270   9.314   9.094
   64    HB3  ALA   7           HB3      ALA   7   7.626   9.887   7.468
   65    H    VAL   8           HN       VAL   8   6.630   6.393   6.876
   66    HA   VAL   8           HA       VAL   8   6.657   6.953   4.066
   67    HB   VAL   8           HB       VAL   8   6.810   4.171   5.191
   68   HG11  VAL   8          HG11      VAL   8   8.105   5.534   2.827
   69   HG12  VAL   8          HG12      VAL   8   6.730   4.432   2.766
   70   HG13  VAL   8          HG13      VAL   8   8.311   3.841   3.274
   71   HG21  VAL   8          HG21      VAL   8   9.262   4.500   5.421
   72   HG22  VAL   8          HG22      VAL   8   8.328   5.452   6.574
   73   HG23  VAL   8          HG23      VAL   8   9.024   6.227   5.151
   74    H    CYS   9           HN       CYS   9   4.391   5.779   6.413
   75    HA   CYS   9           HA       CYS   9   2.570   4.324   4.919
   76    HB2  CYS   9           HB2      CYS   9   2.399   6.065   7.273
   77    HB3  CYS   9           HB1      CYS   9   0.917   6.028   6.349
   78    H    ARG  10           HN       ARG  10   2.176   7.768   5.600
   79    HA   ARG  10           HA       ARG  10   0.419   8.227   3.419
   80    HB2  ARG  10           HB2      ARG  10   0.305   9.527   5.487
   81    HB3  ARG  10           HB1      ARG  10   1.900  10.196   5.165
   82    HG2  ARG  10           HG2      ARG  10   0.150  11.784   4.603
   83    HG3  ARG  10           HG1      ARG  10   1.046  11.296   3.164
   84    HD2  ARG  10           HD2      ARG  10  -1.352  11.370   2.723
   85    HD3  ARG  10           HD1      ARG  10  -0.729   9.727   2.580
   86    HE   ARG  10           HE       ARG  10  -1.673  10.103   5.190
   87   HH11  ARG  10          HH11      ARG  10  -2.897   9.879   1.930
   88   HH12  ARG  10          HH12      ARG  10  -4.433   9.247   2.417
   89   HH21  ARG  10          HH21      ARG  10  -3.693   9.271   5.833
   90   HH22  ARG  10          HH22      ARG  10  -4.886   8.901   4.632
   91    H    ASP  11           HN       ASP  11   3.844   8.299   3.692
   92    HA   ASP  11           HA       ASP  11   4.236  10.058   1.436
   93    HB2  ASP  11           HB2      ASP  11   6.119   8.504   3.188
   94    HB3  ASP  11           HB1      ASP  11   6.676   9.339   1.743
   95    H    GLU  12           HN       GLU  12   2.991   7.147   1.379
   96    HA   GLU  12           HA       GLU  12   4.731   5.847  -0.509
   97    HB2  GLU  12           HB2      GLU  12   2.807   5.012   1.290
   98    HB3  GLU  12           HB1      GLU  12   1.990   4.822  -0.248
   99    HG2  GLU  12           HG2      GLU  12   2.995   2.763   0.098
  100    HG3  GLU  12           HG1      GLU  12   4.116   3.584  -0.986
  101    H    ASP  13           HN       ASP  13   2.090   4.974  -1.991
  102    HA   ASP  13           HA       ASP  13   2.145   7.274  -3.810
  103    HB2  ASP  13           HB2      ASP  13   2.894   5.188  -4.861
  104    HB3  ASP  13           HB1      ASP  13   1.396   4.386  -4.409
  105    HA   PRO  14           HA       PRO  14  -1.986   8.231  -2.397
  106    HB2  PRO  14           HB2      PRO  14  -2.652   9.630  -4.736
  107    HB3  PRO  14           HB1      PRO  14  -1.958  10.332  -3.272
  108    HG2  PRO  14           HG2      PRO  14  -0.618   9.522  -5.806
  109    HG3  PRO  14           HG1      PRO  14  -0.255  10.879  -4.724
  110    HD2  PRO  14           HD2      PRO  14   1.271   8.679  -4.763
  111    HD3  PRO  14           HD1      PRO  14   0.937   9.541  -3.246
  112    H    GLU  15           HN       GLU  15  -1.061   6.769  -5.410
  113    HA   GLU  15           HA       GLU  15  -3.638   6.008  -6.283
  114    HB2  GLU  15           HB2      GLU  15  -0.953   4.741  -6.943
  115    HB3  GLU  15           HB1      GLU  15  -2.451   4.540  -7.842
  116    HG2  GLU  15           HG2      GLU  15  -2.454   7.000  -8.257
  117    HG3  GLU  15           HG1      GLU  15  -0.849   7.061  -7.532
  118    H    LEU  16           HN       LEU  16  -1.533   4.790  -3.839
  119    HA   LEU  16           HA       LEU  16  -2.669   2.147  -3.781
  120    HB2  LEU  16           HB2      LEU  16  -1.079   3.500  -1.597
  121    HB3  LEU  16           HB1      LEU  16  -1.336   1.778  -1.807
  122    HG   LEU  16           HG       LEU  16   0.647   3.538  -3.051
  123   HD11  LEU  16          HD11      LEU  16   1.786   1.317  -3.425
  124   HD12  LEU  16          HD12      LEU  16   0.417   0.577  -2.581
  125   HD13  LEU  16          HD13      LEU  16   1.447   1.729  -1.735
  126   HD21  LEU  16          HD21      LEU  16   0.635   2.017  -5.100
  127   HD22  LEU  16          HD22      LEU  16  -0.511   3.357  -5.053
  128   HD23  LEU  16          HD23      LEU  16  -1.047   1.722  -4.691
  129    H    PHE  17           HN       PHE  17  -3.525   5.213  -2.547
  130    HA   PHE  17           HA       PHE  17  -5.469   4.016  -0.703
  131    HB2  PHE  17           HB2      PHE  17  -4.567   6.893  -0.980
  132    HB3  PHE  17           HB1      PHE  17  -5.727   6.299   0.203
  133    HD1  PHE  17           HD1      PHE  17  -5.007   5.001   2.111
  134    HD2  PHE  17           HD2      PHE  17  -2.206   6.435  -0.753
  135    HE1  PHE  17           HE1      PHE  17  -3.170   4.520   3.674
  136    HE2  PHE  17           HE2      PHE  17  -0.362   5.958   0.805
  137    HZ   PHE  17           HZ       PHE  17  -0.843   4.999   3.022
  138    H    PHE  18           HN       PHE  18  -5.169   5.231  -3.818
  139    HA   PHE  18           HA       PHE  18  -8.077   5.604  -4.007
  140    HB2  PHE  18           HB2      PHE  18  -5.936   7.312  -5.281
  141    HB3  PHE  18           HB1      PHE  18  -7.630   7.352  -5.764
  142    HD1  PHE  18           HD1      PHE  18  -5.526   7.643  -2.697
  143    HD2  PHE  18           HD2      PHE  18  -9.001   8.917  -4.796
  144    HE1  PHE  18           HE1      PHE  18  -5.984   9.293  -0.929
  145    HE2  PHE  18           HE2      PHE  18  -9.466  10.569  -3.032
  146    HZ   PHE  18           HZ       PHE  18  -7.956  10.758  -1.096
  147    HA   PRO  19           HA       PRO  19  -7.568   2.340  -7.021
  148    HB2  PRO  19           HB2      PRO  19 -10.207   3.284  -7.984
  149    HB3  PRO  19           HB1      PRO  19  -9.714   1.675  -7.452
  150    HG2  PRO  19           HG2      PRO  19 -11.271   3.214  -5.923
  151    HG3  PRO  19           HG1      PRO  19 -10.022   2.175  -5.213
  152    HD2  PRO  19           HD2      PRO  19  -9.994   5.128  -5.679
  153    HD3  PRO  19           HD1      PRO  19  -9.365   4.196  -4.304
  154    H    VAL  20           HN       VAL  20  -6.660   2.322  -9.002
  155    HA   VAL  20           HA       VAL  20  -6.131   4.689 -10.420
  156    HB   VAL  20           HB       VAL  20  -5.955   1.824 -11.362
  157   HG11  VAL  20          HG11      VAL  20  -5.979   3.332 -13.255
  158   HG12  VAL  20          HG12      VAL  20  -4.354   2.690 -13.025
  159   HG13  VAL  20          HG13      VAL  20  -4.735   4.334 -12.509
  160   HG21  VAL  20          HG21      VAL  20  -4.618   2.259  -9.378
  161   HG22  VAL  20          HG22      VAL  20  -3.862   3.640 -10.173
  162   HG23  VAL  20          HG23      VAL  20  -3.588   2.008 -10.786
  163    H    GLY  21           HN       GLY  21  -6.798   5.323 -12.518
  164    HA2  GLY  21           HA2      GLY  21  -9.618   4.825 -12.993
  165    HA3  GLY  21           HA1      GLY  21  -8.612   6.012 -13.814
  166    H    ASN  22           HN       ASN  22  -7.723   5.508 -15.764
  167    HA   ASN  22           HA       ASN  22  -8.101   2.749 -16.719
  168    HB2  ASN  22           HB2      ASN  22  -8.464   5.302 -18.297
  169    HB3  ASN  22           HB1      ASN  22  -8.579   3.673 -18.956
  170   HD21  ASN  22          HD21      ASN  22 -10.700   3.961 -19.598
  171   HD22  ASN  22          HD22      ASN  22 -12.009   4.014 -18.472
  172    H    SER  23           HN       SER  23  -5.682   4.405 -15.644
  173    HA   SER  23           HA       SER  23  -3.986   4.243 -18.031
  174    HB2  SER  23           HB2      SER  23  -2.339   5.512 -16.699
  175    HB3  SER  23           HB1      SER  23  -3.890   6.352 -16.805
  176    HG   SER  23           HG       SER  23  -3.674   6.412 -14.707
  177    H    GLY  24           HN       GLY  24  -1.945   3.259 -17.966
  178    HA2  GLY  24           HA2      GLY  24  -1.864   0.866 -16.312
  179    HA3  GLY  24           HA1      GLY  24  -0.841   1.203 -17.702
  180    HA   PRO  25           HA       PRO  25   2.419   3.208 -15.408
  181    HB2  PRO  25           HB2      PRO  25   1.111   5.894 -15.391
  182    HB3  PRO  25           HB1      PRO  25   2.773   5.460 -15.811
  183    HG2  PRO  25           HG2      PRO  25   1.009   6.015 -17.717
  184    HG3  PRO  25           HG1      PRO  25   2.180   4.699 -17.923
  185    HD2  PRO  25           HD2      PRO  25  -0.732   4.567 -17.302
  186    HD3  PRO  25           HD1      PRO  25   0.264   3.468 -18.277
  187    H    ALA  26           HN       ALA  26  -0.841   3.947 -14.449
  188    HA   ALA  26           HA       ALA  26  -0.335   4.883 -11.842
  189    HB1  ALA  26           HB1      ALA  26  -2.715   3.187 -12.128
  190    HB2  ALA  26           HB2      ALA  26  -2.599   4.498 -13.308
  191    HB3  ALA  26           HB3      ALA  26  -2.571   4.860 -11.580
  192    H    LEU  27           HN       LEU  27  -0.558   1.707 -13.206
  193    HA   LEU  27           HA       LEU  27  -0.563   0.251 -10.762
  194    HB2  LEU  27           HB2      LEU  27   0.249  -0.508 -13.561
  195    HB3  LEU  27           HB1      LEU  27   0.104  -1.646 -12.240
  196    HG   LEU  27           HG       LEU  27  -2.154  -1.774 -12.421
  197   HD11  LEU  27          HD11      LEU  27  -2.344   1.088 -13.339
  198   HD12  LEU  27          HD12      LEU  27  -2.434   0.580 -11.653
  199   HD13  LEU  27          HD13      LEU  27  -3.660   0.042 -12.802
  200   HD21  LEU  27          HD21      LEU  27  -1.465  -2.268 -14.651
  201   HD22  LEU  27          HD22      LEU  27  -1.409  -0.555 -15.066
  202   HD23  LEU  27          HD23      LEU  27  -2.957  -1.332 -14.735
  203    H    ALA  28           HN       ALA  28   1.882   1.380 -12.996
  204    HA   ALA  28           HA       ALA  28   4.063   0.122 -11.680
  205    HB1  ALA  28           HB1      ALA  28   4.054   2.541 -13.486
  206    HB2  ALA  28           HB2      ALA  28   4.226   0.867 -14.009
  207    HB3  ALA  28           HB3      ALA  28   5.477   1.612 -13.015
  208    H    GLN  29           HN       GLN  29   2.353   3.126 -11.373
  209    HA   GLN  29           HA       GLN  29   4.223   4.408  -9.611
  210    HB2  GLN  29           HB2      GLN  29   2.376   5.510 -11.018
  211    HB3  GLN  29           HB1      GLN  29   1.250   4.964  -9.783
  212    HG2  GLN  29           HG2      GLN  29   1.932   7.298  -9.473
  213    HG3  GLN  29           HG1      GLN  29   2.388   6.282  -8.110
  214   HE21  GLN  29          HE21      GLN  29   4.091   6.346 -11.175
  215   HE22  GLN  29          HE22      GLN  29   5.538   7.067 -10.567
  216    H    ILE  30           HN       ILE  30   1.074   2.856  -9.144
  217    HA   ILE  30           HA       ILE  30   1.037   2.745  -6.423
  218    HB   ILE  30           HB       ILE  30  -0.109   0.917  -8.510
  219   HG12  ILE  30          HG12      ILE  30  -1.401   2.902  -6.640
  220   HG13  ILE  30          HG11      ILE  30  -1.048   3.182  -8.340
  221   HG21  ILE  30          HG21      ILE  30  -0.294  -0.645  -6.949
  222   HG22  ILE  30          HG22      ILE  30  -1.560   0.379  -6.266
  223   HG23  ILE  30          HG23      ILE  30   0.089   0.483  -5.643
  224   HD11  ILE  30          HD11      ILE  30  -2.623   1.509  -8.993
  225   HD12  ILE  30          HD12      ILE  30  -3.406   2.623  -7.873
  226   HD13  ILE  30          HD13      ILE  30  -2.881   1.034  -7.315
  227    H    ALA  31           HN       ALA  31   2.448   0.512  -8.701
  228    HA   ALA  31           HA       ALA  31   3.107  -1.561  -6.938
  229    HB1  ALA  31           HB1      ALA  31   4.523  -0.748  -9.475
  230    HB2  ALA  31           HB2      ALA  31   3.123  -1.815  -9.373
  231    HB3  ALA  31           HB3      ALA  31   4.661  -2.307  -8.663
  232    H    ASP  32           HN       ASP  32   4.607   1.493  -7.583
  233    HA   ASP  32           HA       ASP  32   7.167   0.793  -6.508
  234    HB2  ASP  32           HB2      ASP  32   5.925   3.479  -7.123
  235    HB3  ASP  32           HB1      ASP  32   7.577   3.271  -6.549
  236    H    ALA  33           HN       ALA  33   4.287   2.419  -5.383
  237    HA   ALA  33           HA       ALA  33   5.350   3.062  -2.824
  238    HB1  ALA  33           HB1      ALA  33   3.559   4.370  -3.307
  239    HB2  ALA  33           HB2      ALA  33   2.783   3.152  -2.298
  240    HB3  ALA  33           HB3      ALA  33   2.652   3.060  -4.055
  241    H    LYS  34           HN       LYS  34   3.601   0.321  -4.155
  242    HA   LYS  34           HA       LYS  34   3.024  -0.978  -1.727
  243    HB2  LYS  34           HB2      LYS  34   2.042  -1.551  -3.965
  244    HB3  LYS  34           HB1      LYS  34   3.576  -2.302  -4.386
  245    HG2  LYS  34           HG2      LYS  34   3.307  -3.837  -2.467
  246    HG3  LYS  34           HG1      LYS  34   1.721  -3.126  -2.164
  247    HD2  LYS  34           HD2      LYS  34   1.037  -3.792  -4.449
  248    HD3  LYS  34           HD1      LYS  34   2.597  -4.587  -4.650
  249    HE2  LYS  34           HE2      LYS  34   0.875  -6.196  -4.035
  250    HE3  LYS  34           HE1      LYS  34   2.095  -6.061  -2.770
  251    HZ1  LYS  34           HZ1      LYS  34   0.610  -4.640  -1.520
  252    HZ2  LYS  34           HZ2      LYS  34  -0.154  -6.107  -1.869
  253    HZ3  LYS  34           HZ3      LYS  34  -0.554  -4.718  -2.746
  254    H    LEU  35           HN       LEU  35   5.874  -1.001  -3.822
  255    HA   LEU  35           HA       LEU  35   7.214  -3.105  -2.451
  256    HB2  LEU  35           HB2      LEU  35   8.188  -0.884  -4.240
  257    HB3  LEU  35           HB1      LEU  35   9.269  -2.078  -3.551
  258    HG   LEU  35           HG       LEU  35   8.728  -3.625  -5.083
  259   HD11  LEU  35          HD11      LEU  35   6.420  -4.082  -5.851
  260   HD12  LEU  35          HD12      LEU  35   5.857  -2.738  -4.861
  261   HD13  LEU  35          HD13      LEU  35   6.594  -4.143  -4.097
  262   HD21  LEU  35          HD21      LEU  35   7.617  -2.630  -7.171
  263   HD22  LEU  35          HD22      LEU  35   9.144  -1.936  -6.626
  264   HD23  LEU  35          HD23      LEU  35   7.625  -1.110  -6.275
  265    H    VAL  36           HN       VAL  36   7.298   0.414  -2.229
  266    HA   VAL  36           HA       VAL  36   9.284   0.558  -0.215
  267    HB   VAL  36           HB       VAL  36   7.096   2.545  -0.859
  268   HG11  VAL  36          HG11      VAL  36   8.031   2.931   1.357
  269   HG12  VAL  36          HG12      VAL  36   8.546   4.192   0.236
  270   HG13  VAL  36          HG13      VAL  36   9.662   2.903   0.687
  271   HG21  VAL  36          HG21      VAL  36   9.972   2.507  -1.766
  272   HG22  VAL  36          HG22      VAL  36   8.723   3.661  -2.235
  273   HG23  VAL  36          HG23      VAL  36   8.607   1.979  -2.747
  274    H    CYS  37           HN       CYS  37   5.744   0.467  -0.093
  275    HA   CYS  37           HA       CYS  37   5.459   0.835   2.680
  276    HB2  CYS  37           HB2      CYS  37   3.569   1.057   1.154
  277    HB3  CYS  37           HB1      CYS  37   3.683  -0.646   0.725
  278    H    ASN  38           HN       ASN  38   6.145  -1.985   0.727
  279    HA   ASN  38           HA       ASN  38   5.794  -3.845   2.903
  280    HB2  ASN  38           HB2      ASN  38   7.010  -4.217   0.157
  281    HB3  ASN  38           HB1      ASN  38   6.675  -5.514   1.299
  282   HD21  ASN  38          HD21      ASN  38   4.177  -4.437   2.233
  283   HD22  ASN  38          HD22      ASN  38   3.036  -4.638   0.954
  284    H    ARG  39           HN       ARG  39   8.429  -2.060   1.454
  285    HA   ARG  39           HA       ARG  39  10.397  -3.558   3.010
  286    HB2  ARG  39           HB2      ARG  39  10.742  -1.351   0.976
  287    HB3  ARG  39           HB1      ARG  39  12.062  -2.182   1.788
  288    HG2  ARG  39           HG2      ARG  39  10.036  -3.460  -0.035
  289    HG3  ARG  39           HG1      ARG  39  11.701  -3.054  -0.455
  290    HD2  ARG  39           HD2      ARG  39  12.507  -4.589   1.272
  291    HD3  ARG  39           HD1      ARG  39  10.843  -4.994   1.690
  292    HE   ARG  39           HE       ARG  39  11.201  -5.482  -1.038
  293   HH11  ARG  39          HH11      ARG  39  12.309  -6.717   2.033
  294   HH12  ARG  39          HH12      ARG  39  12.559  -8.324   1.437
  295   HH21  ARG  39          HH21      ARG  39  11.529  -7.594  -1.822
  296   HH22  ARG  39          HH22      ARG  39  12.117  -8.822  -0.751
  297    H    CYS  40           HN       CYS  40   8.418  -0.915   3.477
  298    HA   CYS  40           HA       CYS  40  10.247   0.762   4.909
  299    HB2  CYS  40           HB2      CYS  40   8.550   2.127   4.302
  300    HB3  CYS  40           HB1      CYS  40   7.402   0.802   4.181
  301    HA   PRO  41           HA       PRO  41  10.641  -0.925   8.950
  302    HB2  PRO  41           HB2      PRO  41   9.131   1.539   9.766
  303    HB3  PRO  41           HB1      PRO  41  10.553   0.803  10.519
  304    HG2  PRO  41           HG2      PRO  41  10.817   2.910   8.922
  305    HG3  PRO  41           HG1      PRO  41  11.988   1.581   8.864
  306    HD2  PRO  41           HD2      PRO  41   9.886   2.328   6.916
  307    HD3  PRO  41           HD1      PRO  41  11.410   1.457   6.655
  308    H    VAL  42           HN       VAL  42   9.364  -2.691   9.128
  309    HA   VAL  42           HA       VAL  42   6.554  -2.722   8.952
  310    HB   VAL  42           HB       VAL  42   7.941  -4.714   8.571
  311   HG11  VAL  42          HG11      VAL  42   8.368  -4.661  11.556
  312   HG12  VAL  42          HG12      VAL  42   9.595  -4.378  10.322
  313   HG13  VAL  42          HG13      VAL  42   8.847  -5.968  10.473
  314   HG21  VAL  42          HG21      VAL  42   6.527  -6.323   9.813
  315   HG22  VAL  42          HG22      VAL  42   5.600  -5.038   9.038
  316   HG23  VAL  42          HG23      VAL  42   5.902  -4.982  10.774
  317    H    THR  43           HN       THR  43   4.959  -2.592  10.443
  318    HA   THR  43           HA       THR  43   5.707  -2.273  13.266
  319    HB   THR  43           HB       THR  43   4.064  -0.473  13.532
  320    HG1  THR  43           HG1      THR  43   3.949  -0.229  10.715
  321   HG21  THR  43          HG21      THR  43   6.447   0.036  13.087
  322   HG22  THR  43          HG22      THR  43   5.336   1.297  12.555
  323   HG23  THR  43          HG23      THR  43   6.051   0.199  11.375
  324    H    THR  44           HN       THR  44   3.913  -2.406  14.748
  325    HA   THR  44           HA       THR  44   2.343  -4.681  14.438
  326    HB   THR  44           HB       THR  44   1.855  -2.318  16.272
  327    HG1  THR  44           HG1      THR  44   3.234  -4.772  16.733
  328   HG21  THR  44          HG21      THR  44  -0.134  -3.661  16.157
  329   HG22  THR  44          HG22      THR  44   0.678  -4.008  17.684
  330   HG23  THR  44          HG23      THR  44   0.801  -5.145  16.341
  331    H    GLU  45           HN       GLU  45   1.863  -1.378  13.472
  332    HA   GLU  45           HA       GLU  45  -0.926  -1.303  13.201
  333    HB2  GLU  45           HB2      GLU  45   0.584   0.661  12.981
  334    HB3  GLU  45           HB1      GLU  45   1.142   0.032  11.437
  335    HG2  GLU  45           HG2      GLU  45  -0.490   1.771  11.092
  336    HG3  GLU  45           HG1      GLU  45  -1.128   0.221  10.546
  337    H    CYS  46           HN       CYS  46   1.585  -2.305  10.924
  338    HA   CYS  46           HA       CYS  46  -0.223  -2.912   8.809
  339    HB2  CYS  46           HB2      CYS  46   2.381  -4.304   8.798
  340    HB3  CYS  46           HB1      CYS  46   1.618  -3.329   7.550
  341    H    LEU  47           HN       LEU  47   1.476  -4.924  11.217
  342    HA   LEU  47           HA       LEU  47   0.466  -7.384  10.212
  343    HB2  LEU  47           HB2      LEU  47   1.573  -6.662  12.920
  344    HB3  LEU  47           HB1      LEU  47   1.132  -8.292  12.456
  345    HG   LEU  47           HG       LEU  47   3.449  -8.206  12.173
  346   HD11  LEU  47          HD11      LEU  47   2.302  -9.178  10.245
  347   HD12  LEU  47          HD12      LEU  47   3.819  -8.410   9.781
  348   HD13  LEU  47          HD13      LEU  47   2.287  -7.599   9.459
  349   HD21  LEU  47          HD21      LEU  47   3.549  -5.715  12.358
  350   HD22  LEU  47          HD22      LEU  47   3.198  -5.636  10.631
  351   HD23  LEU  47          HD23      LEU  47   4.670  -6.424  11.197
  352    H    SER  48           HN       SER  48  -0.527  -5.328  12.915
  353    HA   SER  48           HA       SER  48  -2.592  -6.964  13.854
  354    HB2  SER  48           HB2      SER  48  -2.234  -3.976  14.058
  355    HB3  SER  48           HB1      SER  48  -3.454  -4.888  14.948
  356    HG   SER  48           HG       SER  48  -0.700  -5.515  15.080
  357    H    TRP  49           HN       TRP  49  -2.606  -4.443  11.421
  358    HA   TRP  49           HA       TRP  49  -5.427  -4.387  11.105
  359    HB2  TRP  49           HB2      TRP  49  -3.720  -2.619  10.343
  360    HB3  TRP  49           HB1      TRP  49  -3.483  -3.644   8.930
  361    HD1  TRP  49           HD1      TRP  49  -5.665  -3.984   7.307
  362    HE1  TRP  49           HE1      TRP  49  -7.656  -2.417   6.856
  363    HE3  TRP  49           HE3      TRP  49  -5.206  -0.900  11.358
  364    HZ2  TRP  49           HZ2      TRP  49  -8.871  -0.171   8.058
  365    HZ3  TRP  49           HZ3      TRP  49  -6.824   0.933  11.634
  366    HH2  TRP  49           HH2      TRP  49  -8.619   1.289  10.018
  367    H    ALA  50           HN       ALA  50  -2.832  -6.046   9.337
  368    HA   ALA  50           HA       ALA  50  -4.478  -7.254   7.403
  369    HB1  ALA  50           HB1      ALA  50  -1.777  -7.971   8.502
  370    HB2  ALA  50           HB2      ALA  50  -2.176  -7.238   6.947
  371    HB3  ALA  50           HB3      ALA  50  -2.568  -8.930   7.253
  372    H    LEU  51           HN       LEU  51  -3.487  -8.270  10.631
  373    HA   LEU  51           HA       LEU  51  -4.603 -10.872  10.469
  374    HB2  LEU  51           HB2      LEU  51  -3.845  -9.157  12.825
  375    HB3  LEU  51           HB1      LEU  51  -4.417 -10.808  12.980
  376    HG   LEU  51           HG       LEU  51  -1.914  -9.957  11.520
  377   HD11  LEU  51          HD11      LEU  51  -2.275 -11.355  14.166
  378   HD12  LEU  51          HD12      LEU  51  -1.708  -9.701  13.933
  379   HD13  LEU  51          HD13      LEU  51  -0.737 -11.056  13.358
  380   HD21  LEU  51          HD21      LEU  51  -2.917 -11.933  10.523
  381   HD22  LEU  51          HD22      LEU  51  -3.029 -12.696  12.109
  382   HD23  LEU  51          HD23      LEU  51  -1.448 -12.361  11.401
  383    H    ASN  52           HN       ASN  52  -5.849  -7.761  11.395
  384    HA   ASN  52           HA       ASN  52  -8.215  -8.708  12.642
  385    HB2  ASN  52           HB2      ASN  52  -7.537  -6.018  11.454
  386    HB3  ASN  52           HB1      ASN  52  -9.019  -6.351  12.344
  387   HD21  ASN  52          HD21      ASN  52  -6.854  -4.494  12.936
  388   HD22  ASN  52          HD22      ASN  52  -6.272  -4.923  14.505
  389    H    THR  53           HN       THR  53  -7.375  -7.868   9.365
  390    HA   THR  53           HA       THR  53 -10.129  -8.447   8.506
  391    HB   THR  53           HB       THR  53  -9.627  -7.339   6.432
  392    HG1  THR  53           HG1      THR  53  -7.620  -6.977   5.777
  393   HG21  THR  53          HG21      THR  53  -8.535  -5.790   8.781
  394   HG22  THR  53          HG22      THR  53 -10.222  -5.872   8.272
  395   HG23  THR  53          HG23      THR  53  -9.026  -5.082   7.242
  396    H    GLY  54           HN       GLY  54  -7.226 -10.000   8.856
  397    HA2  GLY  54           HA2      GLY  54  -6.440 -12.018   8.092
  398    HA3  GLY  54           HA1      GLY  54  -8.047 -12.294   7.440
  399    H    GLN  55           HN       GLN  55  -6.205  -9.511   6.442
  400    HA   GLN  55           HA       GLN  55  -5.833 -10.791   3.811
  401    HB2  GLN  55           HB2      GLN  55  -6.292  -7.870   4.443
  402    HB3  GLN  55           HB1      GLN  55  -6.008  -8.530   2.839
  403    HG2  GLN  55           HG2      GLN  55  -8.350  -9.161   4.621
  404    HG3  GLN  55           HG1      GLN  55  -8.368  -8.095   3.216
  405   HE21  GLN  55          HE21      GLN  55  -9.905 -10.519   3.751
  406   HE22  GLN  55          HE22      GLN  55  -9.564 -11.597   2.446
  407    H    ASP  56           HN       ASP  56  -3.898 -10.533   2.735
  408    HA   ASP  56           HA       ASP  56  -1.576 -10.267   4.272
  409    HB2  ASP  56           HB2      ASP  56  -1.897 -10.026   1.274
  410    HB3  ASP  56           HB1      ASP  56  -0.370 -10.271   2.116
  411    H    SER  57           HN       SER  57  -3.569  -7.896   2.810
  412    HA   SER  57           HA       SER  57  -1.624  -5.821   3.546
  413    HB2  SER  57           HB2      SER  57  -3.368  -5.794   1.071
  414    HB3  SER  57           HB1      SER  57  -2.280  -4.505   1.579
  415    HG   SER  57           HG       SER  57  -1.419  -7.151   1.050
  416    H    GLY  58           HN       GLY  58  -2.498  -3.903   4.370
  417    HA2  GLY  58           HA2      GLY  58  -5.385  -4.036   4.994
  418    HA3  GLY  58           HA1      GLY  58  -4.183  -3.462   6.138
  419    H    VAL  59           HN       VAL  59  -6.475  -2.010   5.332
  420    HA   VAL  59           HA       VAL  59  -5.977  -0.128   3.309
  421    HB   VAL  59           HB       VAL  59  -7.633   0.283   5.803
  422   HG11  VAL  59          HG11      VAL  59  -8.877   1.887   4.427
  423   HG12  VAL  59          HG12      VAL  59  -7.746   1.618   3.101
  424   HG13  VAL  59          HG13      VAL  59  -7.184   2.351   4.603
  425   HG21  VAL  59          HG21      VAL  59  -9.529  -0.480   4.432
  426   HG22  VAL  59          HG22      VAL  59  -8.322  -1.745   4.664
  427   HG23  VAL  59          HG23      VAL  59  -8.408  -0.880   3.130
  428    H    TRP  60           HN       TRP  60  -5.699   0.297   6.847
  429    HA   TRP  60           HA       TRP  60  -4.174   2.726   6.489
  430    HB2  TRP  60           HB2      TRP  60  -5.034   1.195   8.947
  431    HB3  TRP  60           HB1      TRP  60  -4.078   2.672   9.013
  432    HD1  TRP  60           HD1      TRP  60  -7.442   1.618   7.357
  433    HE1  TRP  60           HE1      TRP  60  -9.107   3.555   7.668
  434    HE3  TRP  60           HE3      TRP  60  -4.401   4.918   9.808
  435    HZ2  TRP  60           HZ2      TRP  60  -9.130   6.140   8.803
  436    HZ3  TRP  60           HZ3      TRP  60  -5.322   7.102  10.470
  437    HH2  TRP  60           HH2      TRP  60  -7.637   7.699   9.976
  438    H    GLY  61           HN       GLY  61  -3.549  -0.362   8.182
  439    HA2  GLY  61           HA2      GLY  61  -0.819   0.056   8.606
  440    HA3  GLY  61           HA1      GLY  61  -1.594  -1.519   8.524
  441    H    GLY  62           HN       GLY  62  -1.569  -2.681   6.588
  442    HA2  GLY  62           HA2      GLY  62   0.686  -2.250   4.930
  443    HA3  GLY  62           HA1      GLY  62  -0.594  -3.420   4.639
  444    H    MET  63           HN       MET  63  -1.658  -3.131   2.797
  445    HA   MET  63           HA       MET  63  -2.217  -0.399   1.914
  446    HB2  MET  63           HB2      MET  63  -0.295  -2.066   0.708
  447    HB3  MET  63           HB1      MET  63  -1.675  -2.040  -0.381
  448    HG2  MET  63           HG2      MET  63  -0.037  -0.288  -0.891
  449    HG3  MET  63           HG1      MET  63  -1.616   0.370  -0.467
  450    HE1  MET  63           HE1      MET  63   0.174   3.236   1.214
  451    HE2  MET  63           HE2      MET  63  -1.225   2.682   0.294
  452    HE3  MET  63           HE3      MET  63   0.388   2.584  -0.409
  453    H    SER  64           HN       SER  64  -3.857  -0.388   0.081
  454    HA   SER  64           HA       SER  64  -6.064  -2.031   0.905
  455    HB2  SER  64           HB2      SER  64  -7.400  -0.601  -0.564
  456    HB3  SER  64           HB1      SER  64  -6.382   0.369   0.498
  457    HG   SER  64           HG       SER  64  -6.246   1.164  -1.599
  458    H    GLU  65           HN       GLU  65  -7.512  -2.942  -0.691
  459    HA   GLU  65           HA       GLU  65  -6.230  -4.900  -2.267
  460    HB2  GLU  65           HB2      GLU  65  -8.497  -5.511  -2.999
  461    HB3  GLU  65           HB1      GLU  65  -8.413  -5.298  -1.256
  462    HG2  GLU  65           HG2      GLU  65  -9.401  -3.077  -1.477
  463    HG3  GLU  65           HG1      GLU  65  -9.485  -3.290  -3.225
  464    H    ASP  66           HN       ASP  66  -7.564  -1.751  -2.977
  465    HA   ASP  66           HA       ASP  66  -7.771  -1.980  -5.762
  466    HB2  ASP  66           HB2      ASP  66  -7.215   0.455  -4.064
  467    HB3  ASP  66           HB1      ASP  66  -7.647   0.506  -5.770
  468    H    GLU  67           HN       GLU  67  -5.105  -0.989  -3.702
  469    HA   GLU  67           HA       GLU  67  -3.340  -0.364  -5.840
  470    HB2  GLU  67           HB2      GLU  67  -1.691  -0.030  -4.227
  471    HB3  GLU  67           HB1      GLU  67  -3.170   0.326  -3.351
  472    HG2  GLU  67           HG2      GLU  67  -2.122  -0.976  -1.828
  473    HG3  GLU  67           HG1      GLU  67  -3.000  -2.214  -2.712
  474    H    ARG  68           HN       ARG  68  -4.019  -3.256  -3.950
  475    HA   ARG  68           HA       ARG  68  -1.926  -4.867  -4.910
  476    HB2  ARG  68           HB2      ARG  68  -3.320  -5.507  -2.991
  477    HB3  ARG  68           HB1      ARG  68  -4.715  -5.671  -4.047
  478    HG2  ARG  68           HG2      ARG  68  -3.611  -7.502  -5.227
  479    HG3  ARG  68           HG1      ARG  68  -2.207  -7.335  -4.171
  480    HD2  ARG  68           HD2      ARG  68  -3.606  -7.862  -2.234
  481    HD3  ARG  68           HD1      ARG  68  -5.009  -8.026  -3.289
  482    HE   ARG  68           HE       ARG  68  -3.006  -9.750  -4.207
  483   HH11  ARG  68          HH11      ARG  68  -5.126  -9.375  -1.461
  484   HH12  ARG  68          HH12      ARG  68  -5.188 -11.072  -1.119
  485   HH21  ARG  68          HH21      ARG  68  -3.085 -11.982  -3.760
  486   HH22  ARG  68          HH22      ARG  68  -4.029 -12.551  -2.423
  487    H    ARG  69           HN       ARG  69  -5.079  -4.042  -6.184
  488    HA   ARG  69           HA       ARG  69  -5.112  -5.884  -8.335
  489    HB2  ARG  69           HB2      ARG  69  -7.145  -4.766  -7.537
  490    HB3  ARG  69           HB1      ARG  69  -6.501  -3.211  -8.043
  491    HG2  ARG  69           HG2      ARG  69  -6.525  -3.958 -10.371
  492    HG3  ARG  69           HG1      ARG  69  -7.177  -5.517  -9.858
  493    HD2  ARG  69           HD2      ARG  69  -8.501  -2.831  -9.489
  494    HD3  ARG  69           HD1      ARG  69  -8.940  -4.042 -10.693
  495    HE   ARG  69           HE       ARG  69  -9.063  -5.234  -8.168
  496   HH11  ARG  69          HH11      ARG  69 -10.708  -2.763 -10.002
  497   HH12  ARG  69          HH12      ARG  69 -12.223  -2.999  -9.198
  498   HH21  ARG  69          HH21      ARG  69 -11.054  -5.548  -7.110
  499   HH22  ARG  69          HH22      ARG  69 -12.420  -4.579  -7.555
  500    H    ALA  70           HN       ALA  70  -3.895  -2.612  -7.933
  501    HA   ALA  70           HA       ALA  70  -3.310  -1.999 -10.600
  502    HB1  ALA  70           HB1      ALA  70  -3.248  -0.505  -8.517
  503    HB2  ALA  70           HB2      ALA  70  -2.054  -0.223  -9.781
  504    HB3  ALA  70           HB3      ALA  70  -1.599  -1.097  -8.320
  505    H    LEU  71           HN       LEU  71  -1.409  -3.635  -8.133
  506    HA   LEU  71           HA       LEU  71   0.924  -3.937  -9.738
  507    HB2  LEU  71           HB2      LEU  71   1.132  -4.039  -7.347
  508    HB3  LEU  71           HB1      LEU  71   0.006  -5.381  -7.256
  509    HG   LEU  71           HG       LEU  71   1.598  -6.856  -8.337
  510   HD11  LEU  71          HD11      LEU  71   3.851  -6.098  -8.906
  511   HD12  LEU  71          HD12      LEU  71   3.404  -4.446  -8.483
  512   HD13  LEU  71          HD13      LEU  71   2.627  -5.248  -9.848
  513   HD21  LEU  71          HD21      LEU  71   1.722  -6.273  -5.835
  514   HD22  LEU  71          HD22      LEU  71   3.181  -5.380  -6.266
  515   HD23  LEU  71          HD23      LEU  71   3.088  -7.115  -6.568
  516    H    LYS  72           HN       LYS  72  -1.762  -6.106  -8.913
  517    HA   LYS  72           HA       LYS  72  -0.821  -8.327 -10.370
  518    HB2  LYS  72           HB2      LYS  72  -2.541  -8.524  -8.635
  519    HB3  LYS  72           HB1      LYS  72  -3.652  -7.585  -9.622
  520    HG2  LYS  72           HG2      LYS  72  -3.650  -9.337 -11.314
  521    HG3  LYS  72           HG1      LYS  72  -2.510 -10.275 -10.349
  522    HD2  LYS  72           HD2      LYS  72  -4.785 -11.094 -10.041
  523    HD3  LYS  72           HD1      LYS  72  -4.156 -10.410  -8.540
  524    HE2  LYS  72           HE2      LYS  72  -5.371  -8.337  -8.969
  525    HE3  LYS  72           HE1      LYS  72  -5.983  -9.001 -10.484
  526    HZ1  LYS  72           HZ1      LYS  72  -7.130 -10.717  -9.226
  527    HZ2  LYS  72           HZ2      LYS  72  -7.617  -9.179  -8.717
  528    HZ3  LYS  72           HZ3      LYS  72  -6.541 -10.080  -7.773
  529    H    ARG  73           HN       ARG  73  -2.627  -5.507 -11.263
  530    HA   ARG  73           HA       ARG  73  -3.528  -6.459 -13.791
  531    HB2  ARG  73           HB2      ARG  73  -4.627  -4.594 -12.632
  532    HB3  ARG  73           HB1      ARG  73  -3.169  -3.625 -12.800
  533    HG2  ARG  73           HG2      ARG  73  -3.408  -3.599 -15.199
  534    HG3  ARG  73           HG1      ARG  73  -4.793  -4.689 -15.101
  535    HD2  ARG  73           HD2      ARG  73  -6.045  -3.000 -13.864
  536    HD3  ARG  73           HD1      ARG  73  -4.656  -1.919 -13.917
  537    HE   ARG  73           HE       ARG  73  -5.108  -1.464 -16.140
  538   HH11  ARG  73          HH11      ARG  73  -7.204  -4.010 -14.987
  539   HH12  ARG  73          HH12      ARG  73  -8.272  -3.913 -16.345
  540   HH21  ARG  73          HH21      ARG  73  -6.512  -1.343 -17.926
  541   HH22  ARG  73          HH22      ARG  73  -7.879  -2.402 -18.014
  542    H    ARG  74           HN       ARG  74  -0.653  -4.797 -12.658
  543    HA   ARG  74           HA       ARG  74   0.352  -4.149 -15.244
  544    HB2  ARG  74           HB2      ARG  74   1.099  -2.925 -13.281
  545    HB3  ARG  74           HB1      ARG  74   1.756  -4.394 -12.577
  546    HG2  ARG  74           HG2      ARG  74   3.565  -3.124 -13.454
  547    HG3  ARG  74           HG1      ARG  74   3.334  -4.526 -14.500
  548    HD2  ARG  74           HD2      ARG  74   2.173  -1.806 -15.076
  549    HD3  ARG  74           HD1      ARG  74   3.735  -2.346 -15.688
  550    HE   ARG  74           HE       ARG  74   1.951  -4.293 -16.434
  551   HH11  ARG  74          HH11      ARG  74   2.274  -0.860 -16.964
  552   HH12  ARG  74          HH12      ARG  74   1.502  -0.900 -18.513
  553   HH21  ARG  74          HH21      ARG  74   0.936  -4.349 -18.471
  554   HH22  ARG  74          HH22      ARG  74   0.742  -2.880 -19.369
  555    H    ASN  75           HN       ASN  75   0.917  -6.802 -12.969
  556    HA   ASN  75           HA       ASN  75   2.889  -8.087 -14.577
  557    HB2  ASN  75           HB2      ASN  75   1.195  -9.119 -12.293
  558    HB3  ASN  75           HB1      ASN  75   2.512 -10.021 -13.036
  559   HD21  ASN  75          HD21      ASN  75   2.195  -9.083 -10.295
  560   HD22  ASN  75          HD22      ASN  75   3.571  -8.092  -9.967
  561    H    ALA  76           HN       ALA  76  -0.598  -8.440 -14.177
  562    HA   ALA  76           HA       ALA  76  -2.179  -9.520 -15.405
  563    HB1  ALA  76           HB1      ALA  76  -1.211  -8.230 -17.247
  564    HB2  ALA  76           HB2      ALA  76  -1.777  -9.810 -17.789
  565    HB3  ALA  76           HB3      ALA  76  -0.054  -9.528 -17.545
  Start of MODEL    8
    1    H1   MET   1           HT1      MET   1   9.316   7.993  16.104
    2    H2   MET   1           HT2      MET   1  10.756   7.383  16.745
    3    H3   MET   1           HT3      MET   1   9.275   6.735  17.236
    4    HA   MET   1           HA       MET   1  10.528   6.530  14.563
    5    HB2  MET   1           HB2      MET   1   9.789   4.434  16.616
    6    HB3  MET   1           HB1      MET   1  10.473   4.108  15.029
    7    HG2  MET   1           HG2      MET   1  11.812   5.630  17.254
    8    HG3  MET   1           HG1      MET   1  12.161   3.972  16.769
    9    HE1  MET   1           HE1      MET   1  11.918   4.229  13.581
   10    HE2  MET   1           HE2      MET   1  13.194   3.321  14.393
   11    HE3  MET   1           HE3      MET   1  13.607   4.507  13.153
   12    H    ASP   2           HN       ASP   2   7.598   6.310  16.448
   13    HA   ASP   2           HA       ASP   2   6.000   4.836  14.697
   14    HB2  ASP   2           HB2      ASP   2   4.087   5.924  15.812
   15    HB3  ASP   2           HB1      ASP   2   5.290   5.366  16.970
   16    H    TRP   3           HN       TRP   3   6.554   8.344  14.874
   17    HA   TRP   3           HA       TRP   3   4.801   9.051  12.803
   18    HB2  TRP   3           HB2      TRP   3   6.125  11.155  12.662
   19    HB3  TRP   3           HB1      TRP   3   5.624  10.746  14.296
   20    HD1  TRP   3           HD1      TRP   3   8.243   8.525  14.370
   21    HE1  TRP   3           HE1      TRP   3  10.486   9.536  15.022
   22    HE3  TRP   3           HE3      TRP   3   7.216  13.444  13.425
   23    HZ2  TRP   3           HZ2      TRP   3  11.703  12.087  15.124
   24    HZ3  TRP   3           HZ3      TRP   3   8.983  15.108  13.827
   25    HH2  TRP   3           HH2      TRP   3  11.180  14.442  14.659
   26    H    ARG   4           HN       ARG   4   8.041   7.772  12.731
   27    HA   ARG   4           HA       ARG   4   8.619   8.471  10.031
   28    HB2  ARG   4           HB2      ARG   4  10.396   7.929  11.635
   29    HB3  ARG   4           HB1      ARG   4   9.779   6.288  11.775
   30    HG2  ARG   4           HG2      ARG   4  11.731   6.370  10.335
   31    HG3  ARG   4           HG1      ARG   4  10.299   5.881   9.427
   32    HD2  ARG   4           HD2      ARG   4  10.057   8.167   8.587
   33    HD3  ARG   4           HD1      ARG   4  11.487   8.654   9.496
   34    HE   ARG   4           HE       ARG   4  12.182   6.511   7.838
   35   HH11  ARG   4          HH11      ARG   4  11.207   9.853   7.578
   36   HH12  ARG   4          HH12      ARG   4  12.059  10.115   6.093
   37   HH21  ARG   4          HH21      ARG   4  13.304   6.857   5.886
   38   HH22  ARG   4          HH22      ARG   4  13.249   8.415   5.133
   39    H    HIS   5           HN       HIS   5   7.254   5.644  11.634
   40    HA   HIS   5           HA       HIS   5   7.136   3.957   9.382
   41    HB2  HIS   5           HB2      HIS   5   5.323   4.024  11.809
   42    HB3  HIS   5           HB1      HIS   5   5.491   2.677  10.687
   43    HD1  HIS   5           HD1      HIS   5   6.119   2.529  13.777
   44    HD2  HIS   5           HD2      HIS   5   8.921   3.014  10.748
   45    HE1  HIS   5           HE1      HIS   5   8.295   1.713  14.737
   46    HE2  HIS   5           HE2      HIS   5   9.956   1.933  12.856
   47    H    LYS   6           HN       LYS   6   5.004   6.450  10.633
   48    HA   LYS   6           HA       LYS   6   3.046   5.875   8.556
   49    HB2  LYS   6           HB2      LYS   6   3.046   7.975  10.738
   50    HB3  LYS   6           HB1      LYS   6   1.720   7.675   9.625
   51    HG2  LYS   6           HG2      LYS   6   1.454   5.428  10.534
   52    HG3  LYS   6           HG1      LYS   6   2.796   5.715  11.643
   53    HD2  LYS   6           HD2      LYS   6   1.548   7.536  12.689
   54    HD3  LYS   6           HD1      LYS   6   0.213   7.275  11.567
   55    HE2  LYS   6           HE2      LYS   6  -0.101   5.023  12.458
   56    HE3  LYS   6           HE1      LYS   6   1.246   5.269  13.568
   57    HZ1  LYS   6           HZ1      LYS   6  -0.875   5.618  14.664
   58    HZ2  LYS   6           HZ2      LYS   6  -1.284   6.823  13.550
   59    HZ3  LYS   6           HZ3      LYS   6   0.007   7.061  14.615
   60    H    ALA   7           HN       ALA   7   5.874   7.499   8.912
   61    HA   ALA   7           HA       ALA   7   5.384   9.875   7.436
   62    HB1  ALA   7           HB1      ALA   7   7.375   9.528   8.916
   63    HB2  ALA   7           HB2      ALA   7   7.773  10.102   7.298
   64    HB3  ALA   7           HB3      ALA   7   8.009   8.407   7.713
   65    H    VAL   8           HN       VAL   8   6.619   6.649   6.697
   66    HA   VAL   8           HA       VAL   8   6.739   7.183   3.889
   67    HB   VAL   8           HB       VAL   8   6.668   4.407   5.045
   68   HG11  VAL   8          HG11      VAL   8   8.176   3.946   3.162
   69   HG12  VAL   8          HG12      VAL   8   8.098   5.643   2.689
   70   HG13  VAL   8          HG13      VAL   8   6.649   4.640   2.616
   71   HG21  VAL   8          HG21      VAL   8   9.135   4.569   5.311
   72   HG22  VAL   8          HG22      VAL   8   8.247   5.591   6.440
   73   HG23  VAL   8          HG23      VAL   8   9.019   6.306   5.024
   74    H    CYS   9           HN       CYS   9   4.366   6.171   6.191
   75    HA   CYS   9           HA       CYS   9   2.479   4.848   4.650
   76    HB2  CYS   9           HB2      CYS   9   2.488   6.310   7.117
   77    HB3  CYS   9           HB1      CYS   9   1.056   6.747   6.212
   78    H    ARG  10           HN       ARG  10   2.237   8.282   5.445
   79    HA   ARG  10           HA       ARG  10   0.491   8.914   3.325
   80    HB2  ARG  10           HB2      ARG  10   2.230  10.739   4.988
   81    HB3  ARG  10           HB1      ARG  10   0.904  11.262   3.958
   82    HG2  ARG  10           HG2      ARG  10  -0.667   9.989   5.331
   83    HG3  ARG  10           HG1      ARG  10   0.665   9.470   6.366
   84    HD2  ARG  10           HD2      ARG  10  -0.541  11.341   7.362
   85    HD3  ARG  10           HD1      ARG  10   1.115  11.794   6.962
   86    HE   ARG  10           HE       ARG  10  -0.522  12.482   4.806
   87   HH11  ARG  10          HH11      ARG  10  -0.012  13.407   8.132
   88   HH12  ARG  10          HH12      ARG  10  -0.527  15.042   7.888
   89   HH21  ARG  10          HH21      ARG  10  -1.200  14.632   4.482
   90   HH22  ARG  10          HH22      ARG  10  -1.202  15.738   5.816
   91    H    ASP  11           HN       ASP  11   3.908   8.665   3.464
   92    HA   ASP  11           HA       ASP  11   4.388  10.346   1.167
   93    HB2  ASP  11           HB2      ASP  11   6.159   8.629   2.884
   94    HB3  ASP  11           HB1      ASP  11   6.752   9.381   1.408
   95    H    GLU  12           HN       GLU  12   2.845   7.580   1.208
   96    HA   GLU  12           HA       GLU  12   4.369   6.054  -0.696
   97    HB2  GLU  12           HB2      GLU  12   2.535   4.479  -0.574
   98    HB3  GLU  12           HB1      GLU  12   2.935   5.008   1.050
   99    HG2  GLU  12           HG2      GLU  12   1.041   6.623   0.915
  100    HG3  GLU  12           HG1      GLU  12   0.595   5.891  -0.622
  101    H    ASP  13           HN       ASP  13   1.692   5.365  -2.059
  102    HA   ASP  13           HA       ASP  13   1.747   7.632  -3.927
  103    HB2  ASP  13           HB2      ASP  13   2.613   5.445  -4.843
  104    HB3  ASP  13           HB1      ASP  13   0.997   4.772  -4.646
  105    HA   PRO  14           HA       PRO  14  -2.409   8.454  -2.572
  106    HB2  PRO  14           HB2      PRO  14  -3.145   9.740  -4.955
  107    HB3  PRO  14           HB1      PRO  14  -2.477  10.514  -3.517
  108    HG2  PRO  14           HG2      PRO  14  -1.118   9.693  -6.033
  109    HG3  PRO  14           HG1      PRO  14  -0.796  11.082  -4.981
  110    HD2  PRO  14           HD2      PRO  14   0.799   8.926  -4.993
  111    HD3  PRO  14           HD1      PRO  14   0.463   9.824  -3.496
  112    H    GLU  15           HN       GLU  15  -1.512   6.868  -5.543
  113    HA   GLU  15           HA       GLU  15  -4.140   6.046  -6.264
  114    HB2  GLU  15           HB2      GLU  15  -1.421   5.003  -7.111
  115    HB3  GLU  15           HB1      GLU  15  -2.946   4.448  -7.781
  116    HG2  GLU  15           HG2      GLU  15  -1.888   6.082  -9.228
  117    HG3  GLU  15           HG1      GLU  15  -3.435   6.664  -8.619
  118    H    LEU  16           HN       LEU  16  -1.823   4.920  -3.968
  119    HA   LEU  16           HA       LEU  16  -2.734   2.222  -3.816
  120    HB2  LEU  16           HB2      LEU  16  -1.301   3.828  -1.690
  121    HB3  LEU  16           HB1      LEU  16  -1.459   2.082  -1.734
  122    HG   LEU  16           HG       LEU  16   0.426   3.828  -3.152
  123   HD11  LEU  16          HD11      LEU  16   0.408   0.903  -2.443
  124   HD12  LEU  16          HD12      LEU  16   1.284   2.192  -1.619
  125   HD13  LEU  16          HD13      LEU  16   1.744   1.718  -3.270
  126   HD21  LEU  16          HD21      LEU  16  -0.789   3.333  -5.085
  127   HD22  LEU  16          HD22      LEU  16  -1.073   1.674  -4.572
  128   HD23  LEU  16          HD23      LEU  16   0.545   2.183  -5.043
  129    H    PHE  17           HN       PHE  17  -4.086   5.147  -2.835
  130    HA   PHE  17           HA       PHE  17  -5.820   3.826  -0.872
  131    HB2  PHE  17           HB2      PHE  17  -5.416   6.771  -1.448
  132    HB3  PHE  17           HB1      PHE  17  -6.493   6.116  -0.219
  133    HD1  PHE  17           HD1      PHE  17  -3.034   6.797  -1.135
  134    HD2  PHE  17           HD2      PHE  17  -5.605   5.111   1.806
  135    HE1  PHE  17           HE1      PHE  17  -1.179   6.802   0.483
  136    HE2  PHE  17           HE2      PHE  17  -3.756   5.114   3.431
  137    HZ   PHE  17           HZ       PHE  17  -1.539   5.960   2.769
  138    H    PHE  18           HN       PHE  18  -5.691   4.728  -4.099
  139    HA   PHE  18           HA       PHE  18  -8.622   4.600  -4.306
  140    HB2  PHE  18           HB2      PHE  18  -6.792   6.464  -5.828
  141    HB3  PHE  18           HB1      PHE  18  -8.495   6.217  -6.202
  142    HD1  PHE  18           HD1      PHE  18  -6.296   7.143  -3.338
  143    HD2  PHE  18           HD2      PHE  18 -10.041   7.652  -5.293
  144    HE1  PHE  18           HE1      PHE  18  -6.900   8.893  -1.716
  145    HE2  PHE  18           HE2      PHE  18 -10.652   9.403  -3.676
  146    HZ   PHE  18           HZ       PHE  18  -9.080  10.026  -1.885
  147    HA   PRO  19           HA       PRO  19  -7.480   1.155  -6.939
  148    HB2  PRO  19           HB2      PRO  19 -10.299   1.364  -7.819
  149    HB3  PRO  19           HB1      PRO  19  -9.432  -0.015  -7.136
  150    HG2  PRO  19           HG2      PRO  19 -11.241   1.329  -5.700
  151    HG3  PRO  19           HG1      PRO  19  -9.766   0.687  -4.956
  152    HD2  PRO  19           HD2      PRO  19 -10.414   3.491  -5.766
  153    HD3  PRO  19           HD1      PRO  19  -9.550   2.901  -4.330
  154    H    VAL  20           HN       VAL  20  -6.652   1.128  -8.952
  155    HA   VAL  20           HA       VAL  20  -7.048   3.374 -10.697
  156    HB   VAL  20           HB       VAL  20  -5.506   0.839 -11.245
  157   HG11  VAL  20          HG11      VAL  20  -4.245   2.270 -12.805
  158   HG12  VAL  20          HG12      VAL  20  -5.351   3.598 -12.455
  159   HG13  VAL  20          HG13      VAL  20  -5.948   2.137 -13.241
  160   HG21  VAL  20          HG21      VAL  20  -4.532   3.421 -10.033
  161   HG22  VAL  20          HG22      VAL  20  -3.544   2.015 -10.431
  162   HG23  VAL  20          HG23      VAL  20  -4.769   1.903  -9.167
  163    H    GLY  21           HN       GLY  21  -7.727   3.250 -12.884
  164    HA2  GLY  21           HA2      GLY  21  -8.846   0.962 -14.080
  165    HA3  GLY  21           HA1      GLY  21 -10.127   1.866 -13.290
  166    H    ASN  22           HN       ASN  22  -8.064   4.234 -14.105
  167    HA   ASN  22           HA       ASN  22  -9.198   4.508 -16.805
  168    HB2  ASN  22           HB2      ASN  22  -8.771   6.685 -14.752
  169    HB3  ASN  22           HB1      ASN  22  -9.333   6.939 -16.402
  170   HD21  ASN  22          HD21      ASN  22 -10.136   5.724 -13.252
  171   HD22  ASN  22          HD22      ASN  22 -11.838   5.591 -13.513
  172    H    SER  23           HN       SER  23  -6.320   4.480 -14.931
  173    HA   SER  23           HA       SER  23  -4.857   5.415 -17.300
  174    HB2  SER  23           HB2      SER  23  -3.274   6.641 -15.853
  175    HB3  SER  23           HB1      SER  23  -4.911   7.295 -15.742
  176    HG   SER  23           HG       SER  23  -5.150   6.295 -13.771
  177    H    GLY  24           HN       GLY  24  -2.718   4.684 -17.499
  178    HA2  GLY  24           HA2      GLY  24  -2.258   2.081 -16.290
  179    HA3  GLY  24           HA1      GLY  24  -1.351   2.785 -17.622
  180    HA   PRO  25           HA       PRO  25   1.740   4.766 -15.088
  181    HB2  PRO  25           HB2      PRO  25   0.116   7.222 -14.582
  182    HB3  PRO  25           HB1      PRO  25   1.799   7.080 -15.108
  183    HG2  PRO  25           HG2      PRO  25  -0.102   7.715 -16.850
  184    HG3  PRO  25           HG1      PRO  25   1.211   6.612 -17.305
  185    HD2  PRO  25           HD2      PRO  25  -1.632   6.008 -16.649
  186    HD3  PRO  25           HD1      PRO  25  -0.555   5.223 -17.818
  187    H    ALA  26           HN       ALA  26  -1.536   4.887 -13.923
  188    HA   ALA  26           HA       ALA  26  -1.011   5.459 -11.218
  189    HB1  ALA  26           HB1      ALA  26  -3.155   3.508 -11.698
  190    HB2  ALA  26           HB2      ALA  26  -3.290   5.009 -12.620
  191    HB3  ALA  26           HB3      ALA  26  -3.195   5.059 -10.857
  192    H    LEU  27           HN       LEU  27  -0.832   2.520 -13.062
  193    HA   LEU  27           HA       LEU  27  -0.510   0.755 -10.854
  194    HB2  LEU  27           HB2      LEU  27   0.346   0.490 -13.728
  195    HB3  LEU  27           HB1      LEU  27   0.365  -0.815 -12.560
  196    HG   LEU  27           HG       LEU  27  -1.604  -1.271 -13.640
  197   HD11  LEU  27          HD11      LEU  27  -1.947  -0.664 -11.160
  198   HD12  LEU  27          HD12      LEU  27  -3.368  -0.842 -12.190
  199   HD13  LEU  27          HD13      LEU  27  -2.768   0.766 -11.781
  200   HD21  LEU  27          HD21      LEU  27  -2.238   1.664 -13.859
  201   HD22  LEU  27          HD22      LEU  27  -3.067   0.325 -14.651
  202   HD23  LEU  27          HD23      LEU  27  -1.413   0.732 -15.107
  203    H    ALA  28           HN       ALA  28   1.684   2.498 -12.975
  204    HA   ALA  28           HA       ALA  28   4.055   1.409 -11.837
  205    HB1  ALA  28           HB1      ALA  28   3.677   3.986 -13.361
  206    HB2  ALA  28           HB2      ALA  28   4.047   2.414 -14.071
  207    HB3  ALA  28           HB3      ALA  28   5.222   3.205 -13.020
  208    H    GLN  29           HN       GLN  29   1.997   4.124 -11.194
  209    HA   GLN  29           HA       GLN  29   3.733   5.437  -9.321
  210    HB2  GLN  29           HB2      GLN  29   0.762   5.609  -9.886
  211    HB3  GLN  29           HB1      GLN  29   1.533   6.558  -8.615
  212    HG2  GLN  29           HG2      GLN  29   3.041   7.530 -10.334
  213    HG3  GLN  29           HG1      GLN  29   2.114   6.676 -11.565
  214   HE21  GLN  29          HE21      GLN  29  -0.434   7.073 -10.203
  215   HE22  GLN  29          HE22      GLN  29  -0.847   8.733 -10.430
  216    H    ILE  30           HN       ILE  30   0.853   3.428  -9.035
  217    HA   ILE  30           HA       ILE  30   0.842   3.087  -6.317
  218    HB   ILE  30           HB       ILE  30  -0.110   1.319  -8.551
  219   HG12  ILE  30          HG12      ILE  30  -1.535   3.094  -6.567
  220   HG13  ILE  30          HG11      ILE  30  -1.356   3.369  -8.288
  221   HG21  ILE  30          HG21      ILE  30  -0.124  -0.377  -7.133
  222   HG22  ILE  30          HG22      ILE  30  -1.454   0.456  -6.323
  223   HG23  ILE  30          HG23      ILE  30   0.199   0.668  -5.746
  224   HD11  ILE  30          HD11      ILE  30  -3.581   2.598  -7.758
  225   HD12  ILE  30          HD12      ILE  30  -2.918   1.150  -7.003
  226   HD13  ILE  30          HD13      ILE  30  -2.729   1.406  -8.738
  227    H    ALA  31           HN       ALA  31   2.495   1.284  -8.797
  228    HA   ALA  31           HA       ALA  31   3.423  -0.849  -7.242
  229    HB1  ALA  31           HB1      ALA  31   5.049  -1.218  -9.021
  230    HB2  ALA  31           HB2      ALA  31   4.706   0.382  -9.679
  231    HB3  ALA  31           HB3      ALA  31   3.457  -0.862  -9.689
  232    H    ASP  32           HN       ASP  32   4.499   2.427  -7.532
  233    HA   ASP  32           HA       ASP  32   7.144   1.904  -6.537
  234    HB2  ASP  32           HB2      ASP  32   5.633   4.495  -6.922
  235    HB3  ASP  32           HB1      ASP  32   7.294   4.405  -6.345
  236    H    ALA  33           HN       ALA  33   4.122   3.141  -5.319
  237    HA   ALA  33           HA       ALA  33   5.116   3.620  -2.701
  238    HB1  ALA  33           HB1      ALA  33   3.255   4.851  -3.206
  239    HB2  ALA  33           HB2      ALA  33   2.600   3.592  -2.166
  240    HB3  ALA  33           HB3      ALA  33   2.398   3.490  -3.916
  241    H    LYS  34           HN       LYS  34   3.607   0.856  -4.293
  242    HA   LYS  34           HA       LYS  34   3.141  -0.609  -1.918
  243    HB2  LYS  34           HB2      LYS  34   2.562  -2.428  -3.264
  244    HB3  LYS  34           HB1      LYS  34   2.136  -1.029  -4.236
  245    HG2  LYS  34           HG2      LYS  34   4.174  -1.291  -5.530
  246    HG3  LYS  34           HG1      LYS  34   4.637  -2.672  -4.539
  247    HD2  LYS  34           HD2      LYS  34   1.979  -2.713  -5.874
  248    HD3  LYS  34           HD1      LYS  34   3.416  -2.983  -6.862
  249    HE2  LYS  34           HE2      LYS  34   2.447  -5.085  -6.041
  250    HE3  LYS  34           HE1      LYS  34   4.082  -4.828  -5.438
  251    HZ1  LYS  34           HZ1      LYS  34   3.258  -4.235  -3.324
  252    HZ2  LYS  34           HZ2      LYS  34   2.428  -5.640  -3.767
  253    HZ3  LYS  34           HZ3      LYS  34   1.662  -4.136  -3.876
  254    H    LEU  35           HN       LEU  35   5.977  -0.318  -4.043
  255    HA   LEU  35           HA       LEU  35   7.372  -2.489  -2.777
  256    HB2  LEU  35           HB2      LEU  35   8.214  -0.270  -4.611
  257    HB3  LEU  35           HB1      LEU  35   9.421  -1.258  -3.811
  258    HG   LEU  35           HG       LEU  35   8.902  -1.999  -6.123
  259   HD11  LEU  35          HD11      LEU  35   8.647  -4.379  -5.562
  260   HD12  LEU  35          HD12      LEU  35   8.203  -3.927  -3.915
  261   HD13  LEU  35          HD13      LEU  35   9.818  -3.566  -4.524
  262   HD21  LEU  35          HD21      LEU  35   6.780  -2.010  -6.777
  263   HD22  LEU  35          HD22      LEU  35   6.216  -1.811  -5.122
  264   HD23  LEU  35          HD23      LEU  35   6.531  -3.425  -5.753
  265    H    VAL  36           HN       VAL  36   7.279   0.984  -2.410
  266    HA   VAL  36           HA       VAL  36   9.305   1.146  -0.416
  267    HB   VAL  36           HB       VAL  36   7.059   3.080  -1.018
  268   HG11  VAL  36          HG11      VAL  36   8.016   3.387   1.229
  269   HG12  VAL  36          HG12      VAL  36   8.386   4.738   0.156
  270   HG13  VAL  36          HG13      VAL  36   9.621   3.531   0.511
  271   HG21  VAL  36          HG21      VAL  36   8.659   2.558  -2.886
  272   HG22  VAL  36          HG22      VAL  36   9.941   3.229  -1.879
  273   HG23  VAL  36          HG23      VAL  36   8.602   4.251  -2.398
  274    H    CYS  37           HN       CYS  37   5.757   1.067  -0.257
  275    HA   CYS  37           HA       CYS  37   5.519   1.295   2.535
  276    HB2  CYS  37           HB2      CYS  37   3.600   1.663   1.122
  277    HB3  CYS  37           HB1      CYS  37   3.701   0.032   0.472
  278    H    ASN  38           HN       ASN  38   6.344  -1.377   0.488
  279    HA   ASN  38           HA       ASN  38   5.813  -3.388   2.479
  280    HB2  ASN  38           HB2      ASN  38   7.143  -3.456  -0.225
  281    HB3  ASN  38           HB1      ASN  38   7.068  -4.870   0.822
  282   HD21  ASN  38          HD21      ASN  38   5.824  -5.976  -0.699
  283   HD22  ASN  38          HD22      ASN  38   4.151  -5.619  -0.939
  284    H    ARG  39           HN       ARG  39   8.573  -1.477   1.457
  285    HA   ARG  39           HA       ARG  39  10.385  -3.105   3.060
  286    HB2  ARG  39           HB2      ARG  39  10.911  -0.638   1.396
  287    HB3  ARG  39           HB1      ARG  39  12.143  -1.595   2.206
  288    HG2  ARG  39           HG2      ARG  39  11.559  -3.523   0.825
  289    HG3  ARG  39           HG1      ARG  39  10.317  -2.565   0.015
  290    HD2  ARG  39           HD2      ARG  39  13.279  -1.993   0.016
  291    HD3  ARG  39           HD1      ARG  39  12.362  -2.690  -1.318
  292    HE   ARG  39           HE       ARG  39  11.188  -0.250  -0.611
  293   HH11  ARG  39          HH11      ARG  39  14.132  -1.464  -2.037
  294   HH12  ARG  39          HH12      ARG  39  14.410  -0.039  -2.981
  295   HH21  ARG  39          HH21      ARG  39  11.552   1.625  -1.852
  296   HH22  ARG  39          HH22      ARG  39  12.947   1.715  -2.876
  297    H    CYS  40           HN       CYS  40   8.311  -0.539   3.596
  298    HA   CYS  40           HA       CYS  40   9.918   0.910   5.478
  299    HB2  CYS  40           HB2      CYS  40   8.313   2.315   4.654
  300    HB3  CYS  40           HB1      CYS  40   7.126   1.034   4.473
  301    HA   PRO  41           HA       PRO  41   9.795  -1.717   9.020
  302    HB2  PRO  41           HB2      PRO  41   8.960   0.795  10.409
  303    HB3  PRO  41           HB1      PRO  41  10.192  -0.385  10.869
  304    HG2  PRO  41           HG2      PRO  41  10.880   1.932   9.746
  305    HG3  PRO  41           HG1      PRO  41  11.735   0.431   9.344
  306    HD2  PRO  41           HD2      PRO  41   9.793   1.992   7.731
  307    HD3  PRO  41           HD1      PRO  41  11.128   0.951   7.199
  308    H    VAL  42           HN       VAL  42   8.188  -3.108   9.316
  309    HA   VAL  42           HA       VAL  42   5.448  -2.490   9.016
  310    HB   VAL  42           HB       VAL  42   6.322  -4.744   8.624
  311   HG11  VAL  42          HG11      VAL  42   6.723  -4.842  11.611
  312   HG12  VAL  42          HG12      VAL  42   7.992  -4.828  10.388
  313   HG13  VAL  42          HG13      VAL  42   6.897  -6.205  10.507
  314   HG21  VAL  42          HG21      VAL  42   3.948  -4.465   9.124
  315   HG22  VAL  42          HG22      VAL  42   4.282  -4.653  10.845
  316   HG23  VAL  42          HG23      VAL  42   4.549  -6.003   9.743
  317    H    THR  43           HN       THR  43   3.865  -2.075  10.477
  318    HA   THR  43           HA       THR  43   4.591  -1.932  13.318
  319    HB   THR  43           HB       THR  43   3.356   0.173  13.553
  320    HG1  THR  43           HG1      THR  43   3.268   0.199  10.705
  321   HG21  THR  43          HG21      THR  43   5.754   0.294  13.228
  322   HG22  THR  43          HG22      THR  43   4.954   1.649  12.434
  323   HG23  THR  43          HG23      THR  43   5.536   0.287  11.479
  324    H    THR  44           HN       THR  44   2.724  -1.658  14.737
  325    HA   THR  44           HA       THR  44   0.772  -3.604  14.385
  326    HB   THR  44           HB       THR  44   0.566  -1.128  16.120
  327    HG1  THR  44           HG1      THR  44   1.776  -3.666  16.530
  328   HG21  THR  44          HG21      THR  44  -0.942  -2.496  17.491
  329   HG22  THR  44          HG22      THR  44  -0.807  -3.813  16.325
  330   HG23  THR  44          HG23      THR  44  -1.569  -2.293  15.855
  331    H    GLU  45           HN       GLU  45   0.969  -0.307  13.307
  332    HA   GLU  45           HA       GLU  45  -1.743   0.260  12.875
  333    HB2  GLU  45           HB2      GLU  45   0.650   1.151  11.250
  334    HB3  GLU  45           HB1      GLU  45  -0.943   1.897  11.217
  335    HG2  GLU  45           HG2      GLU  45   0.891   1.762  13.601
  336    HG3  GLU  45           HG1      GLU  45   0.622   3.173  12.577
  337    H    CYS  46           HN       CYS  46   0.653  -1.281  10.761
  338    HA   CYS  46           HA       CYS  46  -1.148  -1.632   8.579
  339    HB2  CYS  46           HB2      CYS  46   1.110  -3.527   8.771
  340    HB3  CYS  46           HB1      CYS  46   0.608  -2.504   7.433
  341    H    LEU  47           HN       LEU  47   0.007  -3.777  11.175
  342    HA   LEU  47           HA       LEU  47  -1.359  -6.083  10.277
  343    HB2  LEU  47           HB2      LEU  47  -0.431  -5.270  13.027
  344    HB3  LEU  47           HB1      LEU  47  -1.160  -6.827  12.687
  345    HG   LEU  47           HG       LEU  47   0.708  -7.172  10.989
  346   HD11  LEU  47          HD11      LEU  47   1.804  -4.802  12.482
  347   HD12  LEU  47          HD12      LEU  47   1.465  -4.908  10.754
  348   HD13  LEU  47          HD13      LEU  47   2.764  -5.869  11.459
  349   HD21  LEU  47          HD21      LEU  47   0.636  -8.325  13.127
  350   HD22  LEU  47          HD22      LEU  47   1.390  -6.941  13.917
  351   HD23  LEU  47          HD23      LEU  47   2.292  -7.874  12.723
  352    H    SER  48           HN       SER  48  -2.220  -3.606  12.645
  353    HA   SER  48           HA       SER  48  -4.711  -4.662  13.376
  354    HB2  SER  48           HB2      SER  48  -3.606  -2.908  14.681
  355    HB3  SER  48           HB1      SER  48  -3.814  -1.774  13.346
  356    HG   SER  48           HG       SER  48  -5.689  -2.770  15.154
  357    H    TRP  49           HN       TRP  49  -3.741  -2.578  10.756
  358    HA   TRP  49           HA       TRP  49  -6.274  -1.773   9.865
  359    HB2  TRP  49           HB2      TRP  49  -4.182  -0.754   9.057
  360    HB3  TRP  49           HB1      TRP  49  -3.770  -2.253   8.231
  361    HD1  TRP  49           HD1      TRP  49  -6.011   0.812   7.936
  362    HE1  TRP  49           HE1      TRP  49  -7.038   0.871   5.576
  363    HE3  TRP  49           HE3      TRP  49  -4.509  -3.787   6.283
  364    HZ2  TRP  49           HZ2      TRP  49  -7.190  -0.811   3.313
  365    HZ3  TRP  49           HZ3      TRP  49  -5.137  -4.486   4.009
  366    HH2  TRP  49           HH2      TRP  49  -6.450  -3.027   2.557
  367    H    ALA  50           HN       ALA  50  -4.282  -4.572   9.014
  368    HA   ALA  50           HA       ALA  50  -6.011  -5.679   7.094
  369    HB1  ALA  50           HB1      ALA  50  -4.771  -7.744   7.418
  370    HB2  ALA  50           HB2      ALA  50  -4.091  -7.123   8.921
  371    HB3  ALA  50           HB3      ALA  50  -3.668  -6.369   7.383
  372    H    LEU  51           HN       LEU  51  -5.857  -5.979  10.598
  373    HA   LEU  51           HA       LEU  51  -7.776  -8.044  10.832
  374    HB2  LEU  51           HB2      LEU  51  -6.917  -5.951  12.821
  375    HB3  LEU  51           HB1      LEU  51  -7.913  -7.341  13.208
  376    HG   LEU  51           HG       LEU  51  -5.055  -7.425  12.239
  377   HD11  LEU  51          HD11      LEU  51  -4.575  -8.283  14.475
  378   HD12  LEU  51          HD12      LEU  51  -6.266  -8.059  14.926
  379   HD13  LEU  51          HD13      LEU  51  -5.263  -6.660  14.540
  380   HD21  LEU  51          HD21      LEU  51  -5.200  -9.831  12.658
  381   HD22  LEU  51          HD22      LEU  51  -6.333  -9.324  11.406
  382   HD23  LEU  51          HD23      LEU  51  -6.914  -9.662  13.037
  383    H    ASN  52           HN       ASN  52  -7.992  -4.551  10.851
  384    HA   ASN  52           HA       ASN  52 -10.757  -4.448  11.521
  385    HB2  ASN  52           HB2      ASN  52  -8.821  -2.433  10.411
  386    HB3  ASN  52           HB1      ASN  52 -10.534  -2.057  10.577
  387   HD21  ASN  52          HD21      ASN  52  -7.555  -2.656  12.233
  388   HD22  ASN  52          HD22      ASN  52  -8.089  -2.166  13.802
  389    H    THR  53           HN       THR  53  -9.004  -4.884   8.585
  390    HA   THR  53           HA       THR  53 -11.442  -4.490   6.994
  391    HB   THR  53           HB       THR  53 -10.038  -4.404   5.038
  392    HG1  THR  53           HG1      THR  53  -7.685  -4.563   5.409
  393   HG21  THR  53          HG21      THR  53  -8.911  -2.794   7.326
  394   HG22  THR  53          HG22      THR  53 -10.214  -2.321   6.236
  395   HG23  THR  53          HG23      THR  53  -8.567  -2.482   5.625
  396    H    GLY  54           HN       GLY  54  -9.851  -6.923   8.553
  397    HA2  GLY  54           HA2      GLY  54 -10.039  -9.208   8.472
  398    HA3  GLY  54           HA1      GLY  54 -11.373  -8.970   7.355
  399    H    GLN  55           HN       GLN  55  -8.115  -7.819   6.730
  400    HA   GLN  55           HA       GLN  55  -8.024  -9.570   4.390
  401    HB2  GLN  55           HB2      GLN  55  -6.351  -7.179   5.172
  402    HB3  GLN  55           HB1      GLN  55  -6.095  -8.127   3.714
  403    HG2  GLN  55           HG2      GLN  55  -8.603  -6.609   4.393
  404    HG3  GLN  55           HG1      GLN  55  -7.346  -6.073   3.279
  405   HE21  GLN  55          HE21      GLN  55  -9.964  -8.295   3.803
  406   HE22  GLN  55          HE22      GLN  55 -10.114  -8.824   2.165
  407    H    ASP  56           HN       ASP  56  -6.687 -11.259   4.213
  408    HA   ASP  56           HA       ASP  56  -5.287 -12.253   6.446
  409    HB2  ASP  56           HB2      ASP  56  -5.018 -13.013   3.528
  410    HB3  ASP  56           HB1      ASP  56  -4.406 -13.952   4.886
  411    H    SER  57           HN       SER  57  -3.637 -11.081   7.271
  412    HA   SER  57           HA       SER  57  -1.481 -10.301   5.421
  413    HB2  SER  57           HB2      SER  57  -2.327  -8.947   7.992
  414    HB3  SER  57           HB1      SER  57  -0.940  -8.480   7.010
  415    HG   SER  57           HG       SER  57  -3.588  -8.580   6.008
  416    H    GLY  58           HN       GLY  58   0.685 -10.304   6.319
  417    HA2  GLY  58           HA2      GLY  58   1.240 -11.643   8.790
  418    HA3  GLY  58           HA1      GLY  58   1.486 -12.693   7.401
  419    H    VAL  59           HN       VAL  59   2.440 -10.794   5.577
  420    HA   VAL  59           HA       VAL  59   5.183 -10.707   6.277
  421    HB   VAL  59           HB       VAL  59   3.794  -9.190   4.058
  422   HG11  VAL  59          HG11      VAL  59   5.994  -8.357   4.295
  423   HG12  VAL  59          HG12      VAL  59   6.042  -9.490   2.945
  424   HG13  VAL  59          HG13      VAL  59   6.660  -9.974   4.524
  425   HG21  VAL  59          HG21      VAL  59   4.923 -11.986   4.063
  426   HG22  VAL  59          HG22      VAL  59   4.358 -11.118   2.635
  427   HG23  VAL  59          HG23      VAL  59   3.223 -11.540   3.918
  428    H    TRP  60           HN       TRP  60   6.496  -8.657   6.193
  429    HA   TRP  60           HA       TRP  60   5.371  -6.760   8.057
  430    HB2  TRP  60           HB2      TRP  60   7.778  -5.691   7.562
  431    HB3  TRP  60           HB1      TRP  60   7.547  -7.033   8.676
  432    HD1  TRP  60           HD1      TRP  60   8.447  -9.426   7.927
  433    HE1  TRP  60           HE1      TRP  60  10.127 -10.151   6.118
  434    HE3  TRP  60           HE3      TRP  60   8.613  -5.109   5.190
  435    HZ2  TRP  60           HZ2      TRP  60  11.360  -9.044   3.837
  436    HZ3  TRP  60           HZ3      TRP  60  10.071  -5.028   3.208
  437    HH2  TRP  60           HH2      TRP  60  11.414  -6.954   2.548
  438    H    GLY  61           HN       GLY  61   4.046  -5.275   7.305
  439    HA2  GLY  61           HA2      GLY  61   4.599  -3.043   5.959
  440    HA3  GLY  61           HA1      GLY  61   4.371  -4.174   4.632
  441    H    GLY  62           HN       GLY  62   2.576  -2.770   4.006
  442    HA2  GLY  62           HA2      GLY  62   0.095  -3.778   5.056
  443    HA3  GLY  62           HA1      GLY  62   0.368  -2.092   5.466
  444    H    MET  63           HN       MET  63  -0.481  -4.334   2.984
  445    HA   MET  63           HA       MET  63  -0.958  -2.069   1.161
  446    HB2  MET  63           HB2      MET  63   0.902  -3.539   0.409
  447    HB3  MET  63           HB1      MET  63  -0.221  -4.891   0.367
  448    HG2  MET  63           HG2      MET  63  -1.196  -2.629  -1.147
  449    HG3  MET  63           HG1      MET  63   0.386  -3.167  -1.705
  450    HE1  MET  63           HE1      MET  63   0.904  -5.661  -2.477
  451    HE2  MET  63           HE2      MET  63  -0.304  -6.946  -2.515
  452    HE3  MET  63           HE3      MET  63   0.241  -6.293  -0.971
  453    H    SER  64           HN       SER  64  -2.945  -1.931   0.239
  454    HA   SER  64           HA       SER  64  -5.025  -3.613   1.286
  455    HB2  SER  64           HB2      SER  64  -6.551  -2.031   0.206
  456    HB3  SER  64           HB1      SER  64  -5.335  -1.172   1.151
  457    HG   SER  64           HG       SER  64  -4.724  -0.227  -0.611
  458    H    GLU  65           HN       GLU  65  -6.745  -4.366  -0.159
  459    HA   GLU  65           HA       GLU  65  -5.757  -6.197  -2.049
  460    HB2  GLU  65           HB2      GLU  65  -8.117  -6.653  -2.571
  461    HB3  GLU  65           HB1      GLU  65  -7.835  -6.594  -0.836
  462    HG2  GLU  65           HG2      GLU  65  -8.731  -4.325  -0.763
  463    HG3  GLU  65           HG1      GLU  65  -9.014  -4.382  -2.503
  464    H    ASP  66           HN       ASP  66  -7.240  -3.013  -2.392
  465    HA   ASP  66           HA       ASP  66  -7.550  -3.040  -5.183
  466    HB2  ASP  66           HB2      ASP  66  -7.077  -0.710  -3.315
  467    HB3  ASP  66           HB1      ASP  66  -7.585  -0.558  -4.994
  468    H    GLU  67           HN       GLU  67  -4.879  -2.238  -3.102
  469    HA   GLU  67           HA       GLU  67  -3.145  -1.174  -5.055
  470    HB2  GLU  67           HB2      GLU  67  -2.629  -2.525  -2.407
  471    HB3  GLU  67           HB1      GLU  67  -1.339  -1.858  -3.398
  472    HG2  GLU  67           HG2      GLU  67  -2.232   0.348  -3.191
  473    HG3  GLU  67           HG1      GLU  67  -3.678  -0.262  -2.387
  474    H    ARG  68           HN       ARG  68  -3.793  -4.430  -3.896
  475    HA   ARG  68           HA       ARG  68  -1.730  -5.771  -5.241
  476    HB2  ARG  68           HB2      ARG  68  -3.081  -6.834  -3.490
  477    HB3  ARG  68           HB1      ARG  68  -4.500  -6.759  -4.526
  478    HG2  ARG  68           HG2      ARG  68  -3.425  -8.270  -6.114
  479    HG3  ARG  68           HG1      ARG  68  -1.999  -8.342  -5.078
  480    HD2  ARG  68           HD2      ARG  68  -3.356  -9.299  -3.281
  481    HD3  ARG  68           HD1      ARG  68  -4.781  -9.225  -4.315
  482    HE   ARG  68           HE       ARG  68  -2.800 -10.689  -5.642
  483   HH11  ARG  68          HH11      ARG  68  -4.858 -10.953  -2.835
  484   HH12  ARG  68          HH12      ARG  68  -4.913 -12.683  -2.884
  485   HH21  ARG  68          HH21      ARG  68  -2.872 -12.965  -5.707
  486   HH22  ARG  68          HH22      ARG  68  -3.785 -13.826  -4.513
  487    H    ARG  69           HN       ARG  69  -4.911  -4.696  -6.254
  488    HA   ARG  69           HA       ARG  69  -4.953  -6.030  -8.753
  489    HB2  ARG  69           HB2      ARG  69  -6.987  -5.128  -7.720
  490    HB3  ARG  69           HB1      ARG  69  -6.358  -3.494  -7.884
  491    HG2  ARG  69           HG2      ARG  69  -6.401  -3.716 -10.314
  492    HG3  ARG  69           HG1      ARG  69  -7.023  -5.359 -10.154
  493    HD2  ARG  69           HD2      ARG  69  -9.012  -4.493  -9.021
  494    HD3  ARG  69           HD1      ARG  69  -8.388  -2.851  -9.179
  495    HE   ARG  69           HE       ARG  69  -8.496  -4.005 -11.726
  496   HH11  ARG  69          HH11      ARG  69 -10.662  -2.930  -9.210
  497   HH12  ARG  69          HH12      ARG  69 -11.945  -2.545 -10.306
  498   HH21  ARG  69          HH21      ARG  69 -10.183  -3.501 -13.169
  499   HH22  ARG  69          HH22      ARG  69 -11.674  -2.869 -12.554
  500    H    ALA  70           HN       ALA  70  -3.768  -2.908  -7.666
  501    HA   ALA  70           HA       ALA  70  -3.204  -1.729 -10.140
  502    HB1  ALA  70           HB1      ALA  70  -1.760  -1.378  -7.524
  503    HB2  ALA  70           HB2      ALA  70  -3.208  -0.509  -8.031
  504    HB3  ALA  70           HB3      ALA  70  -1.691  -0.279  -8.902
  505    H    LEU  71           HN       LEU  71  -1.259  -3.824  -8.087
  506    HA   LEU  71           HA       LEU  71   1.081  -3.681  -9.704
  507    HB2  LEU  71           HB2      LEU  71   2.069  -5.089  -8.198
  508    HB3  LEU  71           HB1      LEU  71   0.788  -4.419  -7.212
  509    HG   LEU  71           HG       LEU  71  -0.505  -6.579  -8.062
  510   HD11  LEU  71          HD11      LEU  71   1.048  -8.496  -8.147
  511   HD12  LEU  71          HD12      LEU  71   2.400  -7.364  -8.194
  512   HD13  LEU  71          HD13      LEU  71   1.235  -7.401  -9.515
  513   HD21  LEU  71          HD21      LEU  71   1.571  -6.860  -5.910
  514   HD22  LEU  71          HD22      LEU  71  -0.041  -7.573  -5.982
  515   HD23  LEU  71          HD23      LEU  71   0.145  -5.840  -5.718
  516    H    LYS  72           HN       LYS  72  -1.665  -5.894  -9.549
  517    HA   LYS  72           HA       LYS  72  -0.652  -7.852 -11.294
  518    HB2  LYS  72           HB2      LYS  72  -3.280  -7.146 -10.180
  519    HB3  LYS  72           HB1      LYS  72  -3.346  -7.961 -11.736
  520    HG2  LYS  72           HG2      LYS  72  -3.512  -9.546  -9.903
  521    HG3  LYS  72           HG1      LYS  72  -2.038  -9.809 -10.837
  522    HD2  LYS  72           HD2      LYS  72  -0.771  -8.548  -9.142
  523    HD3  LYS  72           HD1      LYS  72  -2.251  -8.359  -8.199
  524    HE2  LYS  72           HE2      LYS  72  -0.895 -10.191  -7.336
  525    HE3  LYS  72           HE1      LYS  72  -2.425 -10.786  -7.980
  526    HZ1  LYS  72           HZ1      LYS  72   0.185 -10.859  -9.397
  527    HZ2  LYS  72           HZ2      LYS  72  -1.282 -11.449  -9.998
  528    HZ3  LYS  72           HZ3      LYS  72  -0.566 -12.179  -8.651
  529    H    ARG  73           HN       ARG  73  -2.306  -4.840 -11.827
  530    HA   ARG  73           HA       ARG  73  -2.733  -5.200 -14.621
  531    HB2  ARG  73           HB2      ARG  73  -2.678  -2.711 -12.909
  532    HB3  ARG  73           HB1      ARG  73  -3.127  -2.720 -14.608
  533    HG2  ARG  73           HG2      ARG  73  -4.548  -4.293 -12.471
  534    HG3  ARG  73           HG1      ARG  73  -5.050  -2.700 -13.041
  535    HD2  ARG  73           HD2      ARG  73  -6.370  -4.211 -14.252
  536    HD3  ARG  73           HD1      ARG  73  -5.094  -3.736 -15.371
  537    HE   ARG  73           HE       ARG  73  -4.381  -6.085 -13.948
  538   HH11  ARG  73          HH11      ARG  73  -6.389  -4.943 -16.563
  539   HH12  ARG  73          HH12      ARG  73  -6.392  -6.463 -17.391
  540   HH21  ARG  73          HH21      ARG  73  -4.382  -8.086 -15.038
  541   HH22  ARG  73          HH22      ARG  73  -5.252  -8.247 -16.526
  542    H    ARG  74           HN       ARG  74  -0.159  -3.884 -12.648
  543    HA   ARG  74           HA       ARG  74   1.306  -2.603 -14.685
  544    HB2  ARG  74           HB2      ARG  74   1.753  -2.183 -12.326
  545    HB3  ARG  74           HB1      ARG  74   2.250  -3.853 -12.097
  546    HG2  ARG  74           HG2      ARG  74   4.190  -2.438 -12.220
  547    HG3  ARG  74           HG1      ARG  74   4.130  -3.481 -13.643
  548    HD2  ARG  74           HD2      ARG  74   3.117  -1.614 -14.913
  549    HD3  ARG  74           HD1      ARG  74   3.307  -0.584 -13.495
  550    HE   ARG  74           HE       ARG  74   5.339  -1.340 -15.363
  551   HH11  ARG  74          HH11      ARG  74   4.754  -0.422 -12.049
  552   HH12  ARG  74          HH12      ARG  74   6.347   0.214 -11.811
  553   HH21  ARG  74          HH21      ARG  74   7.436  -0.507 -15.053
  554   HH22  ARG  74          HH22      ARG  74   7.870   0.166 -13.517
  555    H    ASN  75           HN       ASN  75   1.413  -5.901 -13.401
  556    HA   ASN  75           HA       ASN  75   3.582  -6.736 -15.051
  557    HB2  ASN  75           HB2      ASN  75   1.511  -8.325 -13.526
  558    HB3  ASN  75           HB1      ASN  75   2.905  -9.033 -14.335
  559   HD21  ASN  75          HD21      ASN  75   2.171  -9.037 -11.514
  560   HD22  ASN  75          HD22      ASN  75   3.504  -8.330 -10.673
  561    H    ALA  76           HN       ALA  76   0.105  -6.674 -15.390
  562    HA   ALA  76           HA       ALA  76  -1.279  -7.105 -17.144
  563    HB1  ALA  76           HB1      ALA  76  -0.390  -6.839 -19.397
  564    HB2  ALA  76           HB2      ALA  76   1.256  -6.940 -18.771
  565    HB3  ALA  76           HB3      ALA  76   0.226  -5.579 -18.327
  Start of MODEL    9
    1    H1   MET   1           HT1      MET   1   9.441   7.008  16.824
    2    H2   MET   1           HT2      MET   1   9.853   7.711  15.342
    3    H3   MET   1           HT3      MET   1  11.049   6.986  16.293
    4    HA   MET   1           HA       MET   1  10.499   5.549  14.474
    5    HB2  MET   1           HB2      MET   1   9.392   4.552  17.107
    6    HB3  MET   1           HB1      MET   1   9.876   3.535  15.756
    7    HG2  MET   1           HG2      MET   1  11.680   5.341  17.351
    8    HG3  MET   1           HG1      MET   1  11.582   3.586  17.482
    9    HE1  MET   1           HE1      MET   1  12.279   1.923  15.508
   10    HE2  MET   1           HE2      MET   1  12.893   2.470  13.947
   11    HE3  MET   1           HE3      MET   1  11.217   2.789  14.397
   12    H    ASP   2           HN       ASP   2   7.667   6.324  16.466
   13    HA   ASP   2           HA       ASP   2   5.787   4.954  14.859
   14    HB2  ASP   2           HB2      ASP   2   5.301   5.601  17.170
   15    HB3  ASP   2           HB1      ASP   2   5.398   7.303  16.730
   16    H    TRP   3           HN       TRP   3   6.745   8.377  14.997
   17    HA   TRP   3           HA       TRP   3   5.013   9.231  12.940
   18    HB2  TRP   3           HB2      TRP   3   6.945  11.091  12.772
   19    HB3  TRP   3           HB1      TRP   3   5.731  11.086  14.045
   20    HD1  TRP   3           HD1      TRP   3   9.175   9.315  13.659
   21    HE1  TRP   3           HE1      TRP   3  10.474   9.649  15.852
   22    HE3  TRP   3           HE3      TRP   3   5.736  12.092  16.223
   23    HZ2  TRP   3           HZ2      TRP   3  10.096  10.928  18.341
   24    HZ3  TRP   3           HZ3      TRP   3   6.283  12.832  18.505
   25    HH2  TRP   3           HH2      TRP   3   8.418  12.262  19.541
   26    H    ARG   4           HN       ARG   4   8.205   7.812  12.907
   27    HA   ARG   4           HA       ARG   4   8.802   8.430  10.191
   28    HB2  ARG   4           HB2      ARG   4   9.901   6.389  12.120
   29    HB3  ARG   4           HB1      ARG   4  10.476   6.519  10.464
   30    HG2  ARG   4           HG2      ARG   4  11.129   8.848  10.890
   31    HG3  ARG   4           HG1      ARG   4  10.593   8.675  12.562
   32    HD2  ARG   4           HD2      ARG   4  12.229   6.892  12.904
   33    HD3  ARG   4           HD1      ARG   4  12.761   7.054  11.232
   34    HE   ARG   4           HE       ARG   4  13.350   8.844  13.442
   35   HH11  ARG   4          HH11      ARG   4  13.424   8.330   9.986
   36   HH12  ARG   4          HH12      ARG   4  14.654   9.516   9.713
   37   HH21  ARG   4          HH21      ARG   4  14.964  10.404  13.078
   38   HH22  ARG   4          HH22      ARG   4  15.528  10.694  11.466
   39    H    HIS   5           HN       HIS   5   7.291   5.699  11.835
   40    HA   HIS   5           HA       HIS   5   7.156   3.961   9.620
   41    HB2  HIS   5           HB2      HIS   5   5.278   4.173  11.990
   42    HB3  HIS   5           HB1      HIS   5   5.419   2.790  10.910
   43    HD1  HIS   5           HD1      HIS   5   5.912   2.573  13.973
   44    HD2  HIS   5           HD2      HIS   5   8.889   3.110  11.127
   45    HE1  HIS   5           HE1      HIS   5   8.022   1.716  15.039
   46    HE2  HIS   5           HE2      HIS   5   9.792   1.966  13.263
   47    H    LYS   6           HN       LYS   6   5.088   6.561  10.771
   48    HA   LYS   6           HA       LYS   6   3.183   6.032   8.634
   49    HB2  LYS   6           HB2      LYS   6   3.199   7.986  10.935
   50    HB3  LYS   6           HB1      LYS   6   1.996   8.053   9.656
   51    HG2  LYS   6           HG2      LYS   6   0.991   6.871  11.414
   52    HG3  LYS   6           HG1      LYS   6   1.448   5.651  10.226
   53    HD2  LYS   6           HD2      LYS   6   3.483   5.178  11.538
   54    HD3  LYS   6           HD1      LYS   6   2.959   6.356  12.742
   55    HE2  LYS   6           HE2      LYS   6   0.908   5.023  13.094
   56    HE3  LYS   6           HE1      LYS   6   1.519   3.826  11.954
   57    HZ1  LYS   6           HZ1      LYS   6   2.696   4.571  14.572
   58    HZ2  LYS   6           HZ2      LYS   6   3.473   3.578  13.446
   59    HZ3  LYS   6           HZ3      LYS   6   2.013   3.084  14.141
   60    H    ALA   7           HN       ALA   7   6.050   7.568   9.068
   61    HA   ALA   7           HA       ALA   7   5.674   9.948   7.563
   62    HB1  ALA   7           HB1      ALA   7   7.603   9.594   9.094
   63    HB2  ALA   7           HB2      ALA   7   8.088  10.074   7.470
   64    HB3  ALA   7           HB3      ALA   7   8.233   8.391   7.969
   65    H    VAL   8           HN       VAL   8   6.844   6.686   6.878
   66    HA   VAL   8           HA       VAL   8   7.076   7.207   4.080
   67    HB   VAL   8           HB       VAL   8   6.861   4.431   5.206
   68   HG11  VAL   8          HG11      VAL   8   8.461   5.645   2.952
   69   HG12  VAL   8          HG12      VAL   8   6.986   4.695   2.784
   70   HG13  VAL   8          HG13      VAL   8   8.455   3.940   3.402
   71   HG21  VAL   8          HG21      VAL   8   9.325   4.510   5.592
   72   HG22  VAL   8          HG22      VAL   8   8.401   5.515   6.708
   73   HG23  VAL   8          HG23      VAL   8   9.261   6.258   5.359
   74    H    CYS   9           HN       CYS   9   4.589   6.219   6.299
   75    HA   CYS   9           HA       CYS   9   2.712   5.019   4.647
   76    HB2  CYS   9           HB2      CYS   9   2.669   6.430   7.149
   77    HB3  CYS   9           HB1      CYS   9   1.301   6.946   6.185
   78    H    ARG  10           HN       ARG  10   3.139   8.458   5.328
   79    HA   ARG  10           HA       ARG  10   1.343   9.365   3.328
   80    HB2  ARG  10           HB2      ARG  10   2.306  11.603   3.805
   81    HB3  ARG  10           HB1      ARG  10   1.784  10.750   5.251
   82    HG2  ARG  10           HG2      ARG  10   4.071  10.156   5.769
   83    HG3  ARG  10           HG1      ARG  10   4.628  10.911   4.274
   84    HD2  ARG  10           HD2      ARG  10   3.814  13.078   5.072
   85    HD3  ARG  10           HD1      ARG  10   3.261  12.320   6.565
   86    HE   ARG  10           HE       ARG  10   5.983  11.763   6.248
   87   HH11  ARG  10          HH11      ARG  10   3.892  14.489   6.859
   88   HH12  ARG  10          HH12      ARG  10   5.090  15.368   7.748
   89   HH21  ARG  10          HH21      ARG  10   7.560  12.917   7.417
   90   HH22  ARG  10          HH22      ARG  10   7.173  14.476   8.065
   91    H    ASP  11           HN       ASP  11   4.639   8.409   3.277
   92    HA   ASP  11           HA       ASP  11   5.296   9.849   0.860
   93    HB2  ASP  11           HB2      ASP  11   6.831   7.687   2.312
   94    HB3  ASP  11           HB1      ASP  11   7.445   8.664   0.984
   95    H    GLU  12           HN       GLU  12   3.210   7.474   1.179
   96    HA   GLU  12           HA       GLU  12   4.201   5.587  -0.736
   97    HB2  GLU  12           HB2      GLU  12   2.046   5.787   1.201
   98    HB3  GLU  12           HB1      GLU  12   1.453   5.169  -0.321
   99    HG2  GLU  12           HG2      GLU  12   3.140   3.402  -0.260
  100    HG3  GLU  12           HG1      GLU  12   3.740   4.038   1.269
  101    H    ASP  13           HN       ASP  13   1.644   5.215  -2.034
  102    HA   ASP  13           HA       ASP  13   1.692   7.525  -3.838
  103    HB2  ASP  13           HB2      ASP  13   2.517   5.368  -4.830
  104    HB3  ASP  13           HB1      ASP  13   0.919   4.674  -4.578
  105    HA   PRO  14           HA       PRO  14  -2.445   8.341  -2.379
  106    HB2  PRO  14           HB2      PRO  14  -3.220   9.685  -4.716
  107    HB3  PRO  14           HB1      PRO  14  -2.521  10.426  -3.276
  108    HG2  PRO  14           HG2      PRO  14  -1.210   9.641  -5.833
  109    HG3  PRO  14           HG1      PRO  14  -0.873  11.020  -4.770
  110    HD2  PRO  14           HD2      PRO  14   0.733   8.880  -4.824
  111    HD3  PRO  14           HD1      PRO  14   0.398   9.739  -3.307
  112    H    GLU  15           HN       GLU  15  -1.585   6.857  -5.406
  113    HA   GLU  15           HA       GLU  15  -4.180   6.019  -6.165
  114    HB2  GLU  15           HB2      GLU  15  -1.486   4.830  -6.901
  115    HB3  GLU  15           HB1      GLU  15  -3.008   4.521  -7.723
  116    HG2  GLU  15           HG2      GLU  15  -1.606   7.176  -7.544
  117    HG3  GLU  15           HG1      GLU  15  -1.655   6.113  -8.950
  118    H    LEU  16           HN       LEU  16  -1.958   4.907  -3.786
  119    HA   LEU  16           HA       LEU  16  -2.916   2.214  -3.631
  120    HB2  LEU  16           HB2      LEU  16  -1.457   3.778  -1.490
  121    HB3  LEU  16           HB1      LEU  16  -1.606   2.033  -1.598
  122    HG   LEU  16           HG       LEU  16   0.232   3.859  -3.011
  123   HD11  LEU  16          HD11      LEU  16   1.587   1.722  -3.127
  124   HD12  LEU  16          HD12      LEU  16   0.311   0.982  -2.142
  125   HD13  LEU  16          HD13      LEU  16   1.234   2.337  -1.499
  126   HD21  LEU  16          HD21      LEU  16  -0.906   3.297  -4.945
  127   HD22  LEU  16          HD22      LEU  16  -1.253   1.671  -4.375
  128   HD23  LEU  16          HD23      LEU  16   0.387   2.104  -4.847
  129    H    PHE  17           HN       PHE  17  -4.123   5.210  -2.618
  130    HA   PHE  17           HA       PHE  17  -5.904   3.966  -0.650
  131    HB2  PHE  17           HB2      PHE  17  -5.406   6.890  -1.262
  132    HB3  PHE  17           HB1      PHE  17  -6.482   6.281  -0.009
  133    HD1  PHE  17           HD1      PHE  17  -5.602   5.318   2.027
  134    HD2  PHE  17           HD2      PHE  17  -3.006   6.789  -1.006
  135    HE1  PHE  17           HE1      PHE  17  -3.727   5.275   3.618
  136    HE2  PHE  17           HE2      PHE  17  -1.125   6.749   0.579
  137    HZ   PHE  17           HZ       PHE  17  -1.484   5.990   2.894
  138    H    PHE  18           HN       PHE  18  -5.768   4.832  -3.891
  139    HA   PHE  18           HA       PHE  18  -8.704   4.801  -4.068
  140    HB2  PHE  18           HB2      PHE  18  -6.815   6.590  -5.604
  141    HB3  PHE  18           HB1      PHE  18  -8.515   6.378  -6.008
  142    HD1  PHE  18           HD1      PHE  18 -10.071   7.818  -5.111
  143    HD2  PHE  18           HD2      PHE  18  -6.326   7.333  -3.150
  144    HE1  PHE  18           HE1      PHE  18 -10.674   9.602  -3.527
  145    HE2  PHE  18           HE2      PHE  18  -6.920   9.116  -1.562
  146    HZ   PHE  18           HZ       PHE  18  -9.097  10.254  -1.750
  147    HA   PRO  19           HA       PRO  19  -7.668   1.269  -6.640
  148    HB2  PRO  19           HB2      PRO  19 -10.517   1.506  -7.423
  149    HB3  PRO  19           HB1      PRO  19  -9.643   0.122  -6.760
  150    HG2  PRO  19           HG2      PRO  19 -11.374   1.499  -5.266
  151    HG3  PRO  19           HG1      PRO  19  -9.874   0.850  -4.576
  152    HD2  PRO  19           HD2      PRO  19 -10.531   3.653  -5.389
  153    HD3  PRO  19           HD1      PRO  19  -9.611   3.070  -3.986
  154    H    VAL  20           HN       VAL  20  -6.912   1.194  -8.680
  155    HA   VAL  20           HA       VAL  20  -7.325   3.421 -10.444
  156    HB   VAL  20           HB       VAL  20  -5.844   0.846 -10.978
  157   HG11  VAL  20          HG11      VAL  20  -4.636   2.173 -12.650
  158   HG12  VAL  20          HG12      VAL  20  -5.671   3.556 -12.292
  159   HG13  VAL  20          HG13      VAL  20  -6.362   2.096 -13.000
  160   HG21  VAL  20          HG21      VAL  20  -3.846   1.997 -10.262
  161   HG22  VAL  20          HG22      VAL  20  -5.038   2.009  -8.963
  162   HG23  VAL  20          HG23      VAL  20  -4.772   3.459  -9.929
  163    H    GLY  21           HN       GLY  21  -8.082   3.291 -12.598
  164    HA2  GLY  21           HA2      GLY  21  -9.310   0.991 -13.696
  165    HA3  GLY  21           HA1      GLY  21 -10.526   1.998 -12.929
  166    H    ASN  22           HN       ASN  22  -8.325   4.195 -13.895
  167    HA   ASN  22           HA       ASN  22  -9.512   4.425 -16.575
  168    HB2  ASN  22           HB2      ASN  22  -8.888   6.660 -14.639
  169    HB3  ASN  22           HB1      ASN  22  -9.480   6.875 -16.283
  170   HD21  ASN  22          HD21      ASN  22 -10.267   5.856 -13.059
  171   HD22  ASN  22          HD22      ASN  22 -11.981   5.823 -13.269
  172    H    SER  23           HN       SER  23  -6.590   4.294 -14.772
  173    HA   SER  23           HA       SER  23  -5.136   5.005 -17.221
  174    HB2  SER  23           HB2      SER  23  -3.447   6.222 -15.890
  175    HB3  SER  23           HB1      SER  23  -5.039   6.978 -15.785
  176    HG   SER  23           HG       SER  23  -4.944   6.684 -13.717
  177    H    GLY  24           HN       GLY  24  -3.045   4.140 -17.421
  178    HA2  GLY  24           HA2      GLY  24  -2.714   1.588 -16.070
  179    HA3  GLY  24           HA1      GLY  24  -1.796   2.158 -17.458
  180    HA   PRO  25           HA       PRO  25   1.466   4.082 -15.100
  181    HB2  PRO  25           HB2      PRO  25   0.014   6.666 -14.720
  182    HB3  PRO  25           HB1      PRO  25   1.671   6.382 -15.268
  183    HG2  PRO  25           HG2      PRO  25  -0.227   7.032 -17.010
  184    HG3  PRO  25           HG1      PRO  25   1.003   5.821 -17.420
  185    HD2  PRO  25           HD2      PRO  25  -1.857   5.442 -16.671
  186    HD3  PRO  25           HD1      PRO  25  -0.859   4.521 -17.813
  187    H    ALA  26           HN       ALA  26  -1.771   4.483 -13.889
  188    HA   ALA  26           HA       ALA  26  -1.161   5.196 -11.234
  189    HB1  ALA  26           HB1      ALA  26  -3.355   4.861 -10.768
  190    HB2  ALA  26           HB2      ALA  26  -3.421   3.334 -11.650
  191    HB3  ALA  26           HB3      ALA  26  -3.484   4.864 -12.529
  192    H    LEU  27           HN       LEU  27  -1.215   2.136 -12.884
  193    HA   LEU  27           HA       LEU  27  -0.948   0.499 -10.579
  194    HB2  LEU  27           HB2      LEU  27  -0.161   0.004 -13.444
  195    HB3  LEU  27           HB1      LEU  27  -0.222  -1.225 -12.197
  196    HG   LEU  27           HG       LEU  27  -2.270  -1.647 -13.037
  197   HD11  LEU  27          HD11      LEU  27  -3.195   0.910 -11.780
  198   HD12  LEU  27          HD12      LEU  27  -2.601  -0.428 -10.802
  199   HD13  LEU  27          HD13      LEU  27  -4.009  -0.654 -11.841
  200   HD21  LEU  27          HD21      LEU  27  -2.560   1.193 -13.987
  201   HD22  LEU  27          HD22      LEU  27  -3.500  -0.214 -14.487
  202   HD23  LEU  27          HD23      LEU  27  -1.798  -0.087 -14.932
  203    H    ALA  28           HN       ALA  28   1.311   1.957 -12.843
  204    HA   ALA  28           HA       ALA  28   3.627   0.791 -11.673
  205    HB1  ALA  28           HB1      ALA  28   3.390   3.284 -13.357
  206    HB2  ALA  28           HB2      ALA  28   3.642   1.649 -13.969
  207    HB3  ALA  28           HB3      ALA  28   4.886   2.426 -12.989
  208    H    GLN  29           HN       GLN  29   1.750   3.655 -11.156
  209    HA   GLN  29           HA       GLN  29   3.599   4.977  -9.406
  210    HB2  GLN  29           HB2      GLN  29   0.621   5.270  -9.895
  211    HB3  GLN  29           HB1      GLN  29   1.484   6.252  -8.713
  212    HG2  GLN  29           HG2      GLN  29   2.916   7.138 -10.469
  213    HG3  GLN  29           HG1      GLN  29   2.091   6.132 -11.660
  214   HE21  GLN  29          HE21      GLN  29   2.363   9.034 -11.523
  215   HE22  GLN  29          HE22      GLN  29   0.754   9.665 -11.506
  216    H    ILE  30           HN       ILE  30   0.636   3.129  -8.939
  217    HA   ILE  30           HA       ILE  30   0.662   2.942  -6.209
  218    HB   ILE  30           HB       ILE  30  -0.409   1.111  -8.334
  219   HG12  ILE  30          HG12      ILE  30  -1.747   2.993  -6.387
  220   HG13  ILE  30          HG11      ILE  30  -1.524   3.262  -8.106
  221   HG21  ILE  30          HG21      ILE  30  -1.750   0.419  -6.050
  222   HG22  ILE  30          HG22      ILE  30  -0.079   0.580  -5.506
  223   HG23  ILE  30          HG23      ILE  30  -0.477  -0.513  -6.838
  224   HD11  ILE  30          HD11      ILE  30  -3.184   1.079  -6.885
  225   HD12  ILE  30          HD12      ILE  30  -2.997   1.417  -8.605
  226   HD13  ILE  30          HD13      ILE  30  -3.796   2.589  -7.559
  227    H    ALA  31           HN       ALA  31   2.132   0.850  -8.589
  228    HA   ALA  31           HA       ALA  31   3.000  -1.186  -6.873
  229    HB1  ALA  31           HB1      ALA  31   4.254  -0.267  -9.459
  230    HB2  ALA  31           HB2      ALA  31   2.932  -1.425  -9.309
  231    HB3  ALA  31           HB3      ALA  31   4.528  -1.818  -8.666
  232    H    ASP  32           HN       ASP  32   4.232   1.977  -7.502
  233    HA   ASP  32           HA       ASP  32   6.904   1.437  -6.601
  234    HB2  ASP  32           HB2      ASP  32   5.452   4.037  -7.116
  235    HB3  ASP  32           HB1      ASP  32   7.141   3.937  -6.630
  236    H    ALA  33           HN       ALA  33   3.991   2.874  -5.316
  237    HA   ALA  33           HA       ALA  33   5.155   3.555  -2.815
  238    HB1  ALA  33           HB1      ALA  33   2.372   3.379  -3.861
  239    HB2  ALA  33           HB2      ALA  33   3.272   4.768  -3.257
  240    HB3  ALA  33           HB3      ALA  33   2.656   3.566  -2.130
  241    H    LYS  34           HN       LYS  34   3.511   0.720  -4.092
  242    HA   LYS  34           HA       LYS  34   3.135  -0.641  -1.666
  243    HB2  LYS  34           HB2      LYS  34   2.153  -1.305  -3.884
  244    HB3  LYS  34           HB1      LYS  34   3.739  -1.916  -4.340
  245    HG2  LYS  34           HG2      LYS  34   3.613  -3.374  -2.268
  246    HG3  LYS  34           HG1      LYS  34   1.909  -2.923  -2.185
  247    HD2  LYS  34           HD2      LYS  34   1.665  -3.767  -4.533
  248    HD3  LYS  34           HD1      LYS  34   3.317  -4.380  -4.417
  249    HE2  LYS  34           HE2      LYS  34   2.655  -5.743  -2.479
  250    HE3  LYS  34           HE1      LYS  34   1.001  -5.154  -2.643
  251    HZ1  LYS  34           HZ1      LYS  34   1.114  -7.261  -3.682
  252    HZ2  LYS  34           HZ2      LYS  34   2.508  -6.854  -4.549
  253    HZ3  LYS  34           HZ3      LYS  34   1.032  -6.121  -4.931
  254    H    LEU  35           HN       LEU  35   5.888  -0.539  -3.914
  255    HA   LEU  35           HA       LEU  35   7.449  -2.483  -2.584
  256    HB2  LEU  35           HB2      LEU  35   8.196  -0.155  -4.345
  257    HB3  LEU  35           HB1      LEU  35   9.382  -1.279  -3.715
  258    HG   LEU  35           HG       LEU  35   8.933  -2.806  -5.289
  259   HD11  LEU  35          HD11      LEU  35   6.673  -3.509  -5.948
  260   HD12  LEU  35          HD12      LEU  35   5.995  -2.216  -4.961
  261   HD13  LEU  35          HD13      LEU  35   6.891  -3.526  -4.198
  262   HD21  LEU  35          HD21      LEU  35   9.103  -1.027  -6.787
  263   HD22  LEU  35          HD22      LEU  35   7.516  -0.393  -6.356
  264   HD23  LEU  35          HD23      LEU  35   7.645  -1.879  -7.299
  265    H    VAL  36           HN       VAL  36   7.230   1.021  -2.282
  266    HA   VAL  36           HA       VAL  36   9.252   1.267  -0.298
  267    HB   VAL  36           HB       VAL  36   6.953   3.137  -0.899
  268   HG11  VAL  36          HG11      VAL  36   9.546   3.654   0.555
  269   HG12  VAL  36          HG12      VAL  36   7.953   3.531   1.303
  270   HG13  VAL  36          HG13      VAL  36   8.302   4.849   0.186
  271   HG21  VAL  36          HG21      VAL  36   8.523   4.353  -2.285
  272   HG22  VAL  36          HG22      VAL  36   8.408   2.683  -2.838
  273   HG23  VAL  36          HG23      VAL  36   9.801   3.203  -1.892
  274    H    CYS  37           HN       CYS  37   5.804   0.661  -0.189
  275    HA   CYS  37           HA       CYS  37   5.551   1.062   2.645
  276    HB2  CYS  37           HB2      CYS  37   3.638   1.413   1.170
  277    HB3  CYS  37           HB1      CYS  37   3.709  -0.261   0.639
  278    H    ASN  38           HN       ASN  38   6.487  -1.540   0.586
  279    HA   ASN  38           HA       ASN  38   5.923  -3.620   2.495
  280    HB2  ASN  38           HB2      ASN  38   7.348  -3.579  -0.156
  281    HB3  ASN  38           HB1      ASN  38   7.302  -5.018   0.854
  282   HD21  ASN  38          HD21      ASN  38   4.550  -2.896   0.865
  283   HD22  ASN  38          HD22      ASN  38   3.521  -3.905  -0.081
  284    H    ARG  39           HN       ARG  39   8.696  -1.626   1.664
  285    HA   ARG  39           HA       ARG  39  10.409  -3.279   3.371
  286    HB2  ARG  39           HB2      ARG  39  11.093  -0.899   1.638
  287    HB3  ARG  39           HB1      ARG  39  12.251  -1.863   2.545
  288    HG2  ARG  39           HG2      ARG  39  11.657  -3.826   1.213
  289    HG3  ARG  39           HG1      ARG  39  10.506  -2.851   0.298
  290    HD2  ARG  39           HD2      ARG  39  12.337  -1.412  -0.461
  291    HD3  ARG  39           HD1      ARG  39  13.484  -2.393   0.450
  292    HE   ARG  39           HE       ARG  39  12.084  -4.079  -1.279
  293   HH11  ARG  39          HH11      ARG  39  14.373  -1.450  -1.444
  294   HH12  ARG  39          HH12      ARG  39  15.074  -1.988  -2.933
  295   HH21  ARG  39          HH21      ARG  39  13.004  -4.788  -3.238
  296   HH22  ARG  39          HH22      ARG  39  14.296  -3.883  -3.952
  297    H    CYS  40           HN       CYS  40   8.391  -0.629   3.694
  298    HA   CYS  40           HA       CYS  40   9.950   0.849   5.596
  299    HB2  CYS  40           HB2      CYS  40   8.424   2.243   4.584
  300    HB3  CYS  40           HB1      CYS  40   7.183   1.002   4.496
  301    HA   PRO  41           HA       PRO  41   9.546  -1.393   9.364
  302    HB2  PRO  41           HB2      PRO  41   8.275   1.140  10.333
  303    HB3  PRO  41           HB1      PRO  41   9.495   0.129  11.120
  304    HG2  PRO  41           HG2      PRO  41  10.198   2.371   9.863
  305    HG3  PRO  41           HG1      PRO  41  11.210   0.918   9.771
  306    HD2  PRO  41           HD2      PRO  41   9.489   2.154   7.702
  307    HD3  PRO  41           HD1      PRO  41  10.928   1.133   7.514
  308    H    VAL  42           HN       VAL  42   7.994  -2.362  10.737
  309    HA   VAL  42           HA       VAL  42   5.250  -2.259   9.681
  310    HB   VAL  42           HB       VAL  42   6.524  -4.446  11.331
  311   HG11  VAL  42          HG11      VAL  42   4.590  -5.773  10.614
  312   HG12  VAL  42          HG12      VAL  42   3.934  -4.361   9.788
  313   HG13  VAL  42          HG13      VAL  42   4.102  -4.356  11.544
  314   HG21  VAL  42          HG21      VAL  42   6.056  -4.324   8.353
  315   HG22  VAL  42          HG22      VAL  42   6.656  -5.719   9.249
  316   HG23  VAL  42          HG23      VAL  42   7.622  -4.248   9.160
  317    H    THR  43           HN       THR  43   3.585  -1.730  10.953
  318    HA   THR  43           HA       THR  43   4.002  -1.447  13.844
  319    HB   THR  43           HB       THR  43   2.909   0.676  13.915
  320    HG1  THR  43           HG1      THR  43   2.143   1.653  11.966
  321   HG21  THR  43          HG21      THR  43   4.397   2.086  12.585
  322   HG22  THR  43          HG22      THR  43   4.905   0.675  11.661
  323   HG23  THR  43          HG23      THR  43   5.277   0.784  13.381
  324    H    THR  44           HN       THR  44   1.914  -1.045  14.987
  325    HA   THR  44           HA       THR  44   0.075  -3.079  14.536
  326    HB   THR  44           HB       THR  44  -0.439  -0.470  15.987
  327    HG1  THR  44           HG1      THR  44   1.180  -1.322  17.129
  328   HG21  THR  44          HG21      THR  44  -2.484  -1.732  15.525
  329   HG22  THR  44          HG22      THR  44  -2.101  -1.763  17.246
  330   HG23  THR  44          HG23      THR  44  -1.764  -3.174  16.241
  331    H    GLU  45           HN       GLU  45   0.348   0.122  13.196
  332    HA   GLU  45           HA       GLU  45  -2.312   0.475  12.315
  333    HB2  GLU  45           HB2      GLU  45   0.296   1.529  11.212
  334    HB3  GLU  45           HB1      GLU  45  -1.285   2.045  10.643
  335    HG2  GLU  45           HG2      GLU  45  -0.146   2.406  13.403
  336    HG3  GLU  45           HG1      GLU  45  -0.443   3.657  12.197
  337    H    CYS  46           HN       CYS  46   0.498  -1.058  10.836
  338    HA   CYS  46           HA       CYS  46  -0.758  -1.585   8.336
  339    HB2  CYS  46           HB2      CYS  46   1.473  -3.302   9.345
  340    HB3  CYS  46           HB1      CYS  46   1.195  -2.675   7.727
  341    H    LEU  47           HN       LEU  47  -0.212  -3.525  11.267
  342    HA   LEU  47           HA       LEU  47  -1.382  -5.896  10.258
  343    HB2  LEU  47           HB2      LEU  47  -1.028  -4.907  13.085
  344    HB3  LEU  47           HB1      LEU  47  -1.664  -6.492  12.694
  345    HG   LEU  47           HG       LEU  47   0.616  -6.806  13.226
  346   HD11  LEU  47          HD11      LEU  47   0.413  -6.721  10.221
  347   HD12  LEU  47          HD12      LEU  47  -0.153  -8.035  11.252
  348   HD13  LEU  47          HD13      LEU  47   1.568  -7.661  11.166
  349   HD21  LEU  47          HD21      LEU  47   1.326  -4.654  11.244
  350   HD22  LEU  47          HD22      LEU  47   2.428  -5.538  12.300
  351   HD23  LEU  47          HD23      LEU  47   1.249  -4.423  12.990
  352    H    SER  48           HN       SER  48  -2.660  -3.252  12.225
  353    HA   SER  48           HA       SER  48  -5.265  -4.239  12.522
  354    HB2  SER  48           HB2      SER  48  -4.333  -1.360  12.427
  355    HB3  SER  48           HB1      SER  48  -5.896  -1.905  13.037
  356    HG   SER  48           HG       SER  48  -4.957  -2.312  14.858
  357    H    TRP  49           HN       TRP  49  -3.713  -2.464   9.976
  358    HA   TRP  49           HA       TRP  49  -5.985  -1.721   8.496
  359    HB2  TRP  49           HB2      TRP  49  -3.728  -0.798   8.075
  360    HB3  TRP  49           HB1      TRP  49  -3.205  -2.369   7.480
  361    HD1  TRP  49           HD1      TRP  49  -3.952  -3.067   5.033
  362    HE1  TRP  49           HE1      TRP  49  -4.970  -1.742   3.075
  363    HE3  TRP  49           HE3      TRP  49  -5.361   1.151   7.554
  364    HZ2  TRP  49           HZ2      TRP  49  -6.208   0.761   2.656
  365    HZ3  TRP  49           HZ3      TRP  49  -6.457   2.964   6.302
  366    HH2  TRP  49           HH2      TRP  49  -6.869   2.771   3.902
  367    H    ALA  50           HN       ALA  50  -3.957  -4.607   8.499
  368    HA   ALA  50           HA       ALA  50  -5.161  -5.946   6.346
  369    HB1  ALA  50           HB1      ALA  50  -3.869  -7.131   8.804
  370    HB2  ALA  50           HB2      ALA  50  -3.030  -6.646   7.332
  371    HB3  ALA  50           HB3      ALA  50  -4.186  -7.977   7.289
  372    H    LEU  51           HN       LEU  51  -5.940  -5.841   9.801
  373    HA   LEU  51           HA       LEU  51  -8.038  -7.758   9.627
  374    HB2  LEU  51           HB2      LEU  51  -7.362  -5.670  11.685
  375    HB3  LEU  51           HB1      LEU  51  -8.763  -6.712  11.838
  376    HG   LEU  51           HG       LEU  51  -7.035  -7.651  13.173
  377   HD11  LEU  51          HD11      LEU  51  -8.380  -9.235  11.852
  378   HD12  LEU  51          HD12      LEU  51  -6.762  -9.842  12.205
  379   HD13  LEU  51          HD13      LEU  51  -7.137  -9.215  10.600
  380   HD21  LEU  51          HD21      LEU  51  -5.127  -6.521  12.197
  381   HD22  LEU  51          HD22      LEU  51  -5.272  -7.495  10.734
  382   HD23  LEU  51          HD23      LEU  51  -4.840  -8.260  12.262
  383    H    ASN  52           HN       ASN  52  -7.837  -4.311   9.256
  384    HA   ASN  52           HA       ASN  52 -10.640  -3.817   9.257
  385    HB2  ASN  52           HB2      ASN  52  -8.375  -2.163   8.132
  386    HB3  ASN  52           HB1      ASN  52 -10.031  -1.602   8.343
  387   HD21  ASN  52          HD21      ASN  52  -7.551  -0.598   9.497
  388   HD22  ASN  52          HD22      ASN  52  -7.762  -0.663  11.211
  389    H    THR  53           HN       THR  53  -8.325  -4.740   6.850
  390    HA   THR  53           HA       THR  53 -10.316  -4.415   4.717
  391    HB   THR  53           HB       THR  53  -8.511  -4.671   3.137
  392    HG1  THR  53           HG1      THR  53  -6.379  -5.064   3.890
  393   HG21  THR  53          HG21      THR  53  -7.058  -2.772   3.818
  394   HG22  THR  53          HG22      THR  53  -7.784  -2.845   5.424
  395   HG23  THR  53          HG23      THR  53  -8.779  -2.445   4.025
  396    H    GLY  54           HN       GLY  54  -9.332  -6.731   6.847
  397    HA2  GLY  54           HA2      GLY  54  -9.829  -8.973   6.977
  398    HA3  GLY  54           HA1      GLY  54 -10.694  -8.809   5.458
  399    H    GLN  55           HN       GLN  55  -7.267  -8.089   5.961
  400    HA   GLN  55           HA       GLN  55  -6.621 -10.022   3.880
  401    HB2  GLN  55           HB2      GLN  55  -4.988  -7.899   5.273
  402    HB3  GLN  55           HB1      GLN  55  -4.308  -9.020   4.101
  403    HG2  GLN  55           HG2      GLN  55  -6.611  -7.188   3.493
  404    HG3  GLN  55           HG1      GLN  55  -4.924  -6.759   3.215
  405   HE21  GLN  55          HE21      GLN  55  -5.225  -6.577   1.002
  406   HE22  GLN  55          HE22      GLN  55  -5.447  -7.952  -0.018
  407    H    ASP  56           HN       ASP  56  -5.687 -11.940   4.228
  408    HA   ASP  56           HA       ASP  56  -5.472 -12.976   6.849
  409    HB2  ASP  56           HB2      ASP  56  -4.508 -14.080   4.212
  410    HB3  ASP  56           HB1      ASP  56  -4.497 -14.980   5.725
  411    H    SER  57           HN       SER  57  -2.859 -13.119   4.506
  412    HA   SER  57           HA       SER  57  -1.032 -11.723   6.251
  413    HB2  SER  57           HB2      SER  57  -0.623 -14.663   5.651
  414    HB3  SER  57           HB1      SER  57   0.553 -13.611   6.438
  415    HG   SER  57           HG       SER  57  -0.458 -13.958   8.234
  416    H    GLY  58           HN       GLY  58   0.896 -11.107   5.232
  417    HA2  GLY  58           HA2      GLY  58   1.581 -12.028   2.608
  418    HA3  GLY  58           HA1      GLY  58   0.802 -10.453   2.572
  419    H    VAL  59           HN       VAL  59   2.640  -9.384   1.826
  420    HA   VAL  59           HA       VAL  59   5.207  -9.612   2.945
  421    HB   VAL  59           HB       VAL  59   4.032  -7.180   1.588
  422   HG11  VAL  59          HG11      VAL  59   6.399  -6.774   0.939
  423   HG12  VAL  59          HG12      VAL  59   6.874  -8.090   2.013
  424   HG13  VAL  59          HG13      VAL  59   6.103  -6.647   2.672
  425   HG21  VAL  59          HG21      VAL  59   4.997  -8.115  -0.479
  426   HG22  VAL  59          HG22      VAL  59   3.721  -9.133   0.188
  427   HG23  VAL  59          HG23      VAL  59   5.412  -9.586   0.401
  428    H    TRP  60           HN       TRP  60   6.366  -8.052   4.248
  429    HA   TRP  60           HA       TRP  60   4.788  -7.191   6.511
  430    HB2  TRP  60           HB2      TRP  60   7.764  -7.000   5.995
  431    HB3  TRP  60           HB1      TRP  60   6.970  -6.632   7.523
  432    HD1  TRP  60           HD1      TRP  60   6.065  -8.702   8.969
  433    HE1  TRP  60           HE1      TRP  60   6.663 -11.205   8.935
  434    HE3  TRP  60           HE3      TRP  60   8.433  -8.910   4.442
  435    HZ2  TRP  60           HZ2      TRP  60   7.966 -13.026   7.216
  436    HZ3  TRP  60           HZ3      TRP  60   9.326 -11.070   3.677
  437    HH2  TRP  60           HH2      TRP  60   9.097 -13.085   5.036
  438    H    GLY  61           HN       GLY  61   3.702  -5.332   6.315
  439    HA2  GLY  61           HA2      GLY  61   4.798  -2.844   6.377
  440    HA3  GLY  61           HA1      GLY  61   4.654  -3.177   4.657
  441    H    GLY  62           HN       GLY  62   2.221  -4.745   4.928
  442    HA2  GLY  62           HA2      GLY  62  -0.064  -4.492   5.251
  443    HA3  GLY  62           HA1      GLY  62   0.251  -3.006   6.133
  444    H    MET  63           HN       MET  63  -1.027  -4.284   3.359
  445    HA   MET  63           HA       MET  63  -1.154  -1.635   2.129
  446    HB2  MET  63           HB2      MET  63   0.672  -3.179   1.106
  447    HB3  MET  63           HB1      MET  63  -0.686  -4.034   0.389
  448    HG2  MET  63           HG2      MET  63   0.216  -2.440  -1.173
  449    HG3  MET  63           HG1      MET  63  -1.411  -1.963  -0.692
  450    HE1  MET  63           HE1      MET  63  -1.794  -0.039   1.312
  451    HE2  MET  63           HE2      MET  63  -1.936   0.378  -0.395
  452    HE3  MET  63           HE3      MET  63  -1.077   1.453   0.707
  453    H    SER  64           HN       SER  64  -2.916  -1.472   0.519
  454    HA   SER  64           HA       SER  64  -5.236  -2.880   1.462
  455    HB2  SER  64           HB2      SER  64  -6.490  -1.331   0.040
  456    HB3  SER  64           HB1      SER  64  -5.330  -0.456   1.039
  457    HG   SER  64           HG       SER  64  -5.565  -0.256  -1.516
  458    H    GLU  65           HN       GLU  65  -6.701  -3.955   0.137
  459    HA   GLU  65           HA       GLU  65  -5.589  -5.856  -1.605
  460    HB2  GLU  65           HB2      GLU  65  -7.651  -6.270  -0.346
  461    HB3  GLU  65           HB1      GLU  65  -8.480  -5.029  -1.275
  462    HG2  GLU  65           HG2      GLU  65  -8.171  -6.348  -3.310
  463    HG3  GLU  65           HG1      GLU  65  -7.349  -7.594  -2.372
  464    H    ASP  66           HN       ASP  66  -7.248  -2.806  -2.163
  465    HA   ASP  66           HA       ASP  66  -7.560  -3.031  -4.945
  466    HB2  ASP  66           HB2      ASP  66  -7.200  -0.563  -3.234
  467    HB3  ASP  66           HB1      ASP  66  -7.716  -0.546  -4.917
  468    H    GLU  67           HN       GLU  67  -4.908  -2.067  -2.920
  469    HA   GLU  67           HA       GLU  67  -3.234  -1.002  -4.935
  470    HB2  GLU  67           HB2      GLU  67  -2.928  -0.672  -2.469
  471    HB3  GLU  67           HB1      GLU  67  -2.408  -2.346  -2.352
  472    HG2  GLU  67           HG2      GLU  67  -1.043  -0.250  -4.020
  473    HG3  GLU  67           HG1      GLU  67  -0.552  -0.717  -2.397
  474    H    ARG  68           HN       ARG  68  -3.703  -4.227  -3.589
  475    HA   ARG  68           HA       ARG  68  -1.590  -5.522  -4.906
  476    HB2  ARG  68           HB2      ARG  68  -4.277  -6.640  -4.078
  477    HB3  ARG  68           HB1      ARG  68  -2.867  -7.597  -4.511
  478    HG2  ARG  68           HG2      ARG  68  -1.649  -6.658  -2.609
  479    HG3  ARG  68           HG1      ARG  68  -3.073  -5.709  -2.173
  480    HD2  ARG  68           HD2      ARG  68  -2.916  -7.730  -0.815
  481    HD3  ARG  68           HD1      ARG  68  -4.348  -7.766  -1.844
  482    HE   ARG  68           HE       ARG  68  -2.283  -9.063  -3.200
  483   HH11  ARG  68          HH11      ARG  68  -4.221  -9.499  -0.331
  484   HH12  ARG  68          HH12      ARG  68  -4.120 -11.227  -0.375
  485   HH21  ARG  68          HH21      ARG  68  -2.149 -11.336  -3.259
  486   HH22  ARG  68          HH22      ARG  68  -2.944 -12.270  -2.036
  487    H    ARG  69           HN       ARG  69  -4.868  -4.738  -5.903
  488    HA   ARG  69           HA       ARG  69  -4.870  -6.232  -8.310
  489    HB2  ARG  69           HB2      ARG  69  -6.932  -5.405  -7.255
  490    HB3  ARG  69           HB1      ARG  69  -6.436  -3.749  -7.573
  491    HG2  ARG  69           HG2      ARG  69  -7.904  -4.127  -9.291
  492    HG3  ARG  69           HG1      ARG  69  -6.368  -4.536 -10.054
  493    HD2  ARG  69           HD2      ARG  69  -8.224  -6.537  -8.778
  494    HD3  ARG  69           HD1      ARG  69  -8.195  -6.169 -10.501
  495    HE   ARG  69           HE       ARG  69  -5.635  -6.834 -10.000
  496   HH11  ARG  69          HH11      ARG  69  -8.664  -8.404  -9.258
  497   HH12  ARG  69          HH12      ARG  69  -7.998 -10.000  -9.331
  498   HH21  ARG  69          HH21      ARG  69  -4.760  -8.936 -10.098
  499   HH22  ARG  69          HH22      ARG  69  -5.783 -10.303  -9.806
  500    H    ALA  70           HN       ALA  70  -3.915  -2.955  -7.474
  501    HA   ALA  70           HA       ALA  70  -3.514  -1.911 -10.041
  502    HB1  ALA  70           HB1      ALA  70  -3.569  -0.483  -8.124
  503    HB2  ALA  70           HB2      ALA  70  -1.997  -0.313  -8.906
  504    HB3  ALA  70           HB3      ALA  70  -2.154  -1.278  -7.438
  505    H    LEU  71           HN       LEU  71  -1.355  -3.671  -7.898
  506    HA   LEU  71           HA       LEU  71   0.928  -3.477  -9.595
  507    HB2  LEU  71           HB2      LEU  71   1.083  -3.843  -7.160
  508    HB3  LEU  71           HB1      LEU  71   0.375  -5.433  -7.366
  509    HG   LEU  71           HG       LEU  71   2.874  -4.773  -8.862
  510   HD11  LEU  71          HD11      LEU  71   4.204  -5.557  -6.941
  511   HD12  LEU  71          HD12      LEU  71   2.748  -5.519  -5.946
  512   HD13  LEU  71          HD13      LEU  71   3.390  -4.024  -6.627
  513   HD21  LEU  71          HD21      LEU  71   3.278  -7.204  -8.337
  514   HD22  LEU  71          HD22      LEU  71   1.900  -6.873  -9.383
  515   HD23  LEU  71          HD23      LEU  71   1.641  -7.253  -7.680
  516    H    LYS  72           HN       LYS  72  -1.532  -5.968  -9.045
  517    HA   LYS  72           HA       LYS  72  -0.379  -7.941 -10.682
  518    HB2  LYS  72           HB2      LYS  72  -3.255  -7.442  -9.913
  519    HB3  LYS  72           HB1      LYS  72  -2.721  -8.862 -10.800
  520    HG2  LYS  72           HG2      LYS  72  -1.690  -8.089  -8.081
  521    HG3  LYS  72           HG1      LYS  72  -3.017  -9.219  -8.356
  522    HD2  LYS  72           HD2      LYS  72  -0.433  -9.679  -9.766
  523    HD3  LYS  72           HD1      LYS  72  -0.535 -10.059  -8.047
  524    HE2  LYS  72           HE2      LYS  72  -1.032 -12.008  -9.453
  525    HE3  LYS  72           HE1      LYS  72  -2.410 -11.542  -8.457
  526    HZ1  LYS  72           HZ1      LYS  72  -2.098 -10.702 -11.283
  527    HZ2  LYS  72           HZ2      LYS  72  -3.481 -10.583 -10.316
  528    HZ3  LYS  72           HZ3      LYS  72  -2.932 -12.100 -10.822
  529    H    ARG  73           HN       ARG  73  -2.397  -5.198 -11.354
  530    HA   ARG  73           HA       ARG  73  -2.999  -5.888 -14.052
  531    HB2  ARG  73           HB2      ARG  73  -3.133  -3.307 -12.503
  532    HB3  ARG  73           HB1      ARG  73  -3.537  -3.388 -14.211
  533    HG2  ARG  73           HG2      ARG  73  -4.879  -4.986 -12.040
  534    HG3  ARG  73           HG1      ARG  73  -5.512  -3.502 -12.754
  535    HD2  ARG  73           HD2      ARG  73  -4.962  -6.088 -14.207
  536    HD3  ARG  73           HD1      ARG  73  -6.549  -5.466 -13.758
  537    HE   ARG  73           HE       ARG  73  -5.247  -3.532 -15.305
  538   HH11  ARG  73          HH11      ARG  73  -6.604  -6.730 -15.650
  539   HH12  ARG  73          HH12      ARG  73  -6.996  -6.518 -17.324
  540   HH21  ARG  73          HH21      ARG  73  -5.762  -3.253 -17.507
  541   HH22  ARG  73          HH22      ARG  73  -6.518  -4.545 -18.378
  542    H    ARG  74           HN       ARG  74  -0.429  -4.136 -12.440
  543    HA   ARG  74           HA       ARG  74   0.747  -2.956 -14.714
  544    HB2  ARG  74           HB2      ARG  74   1.309  -2.267 -12.426
  545    HB3  ARG  74           HB1      ARG  74   2.042  -3.835 -12.126
  546    HG2  ARG  74           HG2      ARG  74   3.729  -2.145 -12.562
  547    HG3  ARG  74           HG1      ARG  74   3.732  -3.379 -13.824
  548    HD2  ARG  74           HD2      ARG  74   2.421  -1.896 -15.267
  549    HD3  ARG  74           HD1      ARG  74   2.421  -0.667 -14.004
  550    HE   ARG  74           HE       ARG  74   4.632  -0.184 -14.490
  551   HH11  ARG  74          HH11      ARG  74   3.588  -2.979 -16.308
  552   HH12  ARG  74          HH12      ARG  74   4.952  -2.948 -17.373
  553   HH21  ARG  74          HH21      ARG  74   6.425  -0.148 -15.890
  554   HH22  ARG  74          HH22      ARG  74   6.562  -1.344 -17.135
  555    H    ASN  75           HN       ASN  75   1.276  -6.065 -13.106
  556    HA   ASN  75           HA       ASN  75   3.390  -6.878 -14.837
  557    HB2  ASN  75           HB2      ASN  75   1.606  -8.468 -12.983
  558    HB3  ASN  75           HB1      ASN  75   3.000  -9.134 -13.830
  559   HD21  ASN  75          HD21      ASN  75   5.069  -8.514 -13.213
  560   HD22  ASN  75          HD22      ASN  75   5.382  -7.743 -11.699
  561    H    ALA  76           HN       ALA  76  -0.098  -7.361 -14.786
  562    HA   ALA  76           HA       ALA  76   0.029  -9.042 -17.167
  563    HB1  ALA  76           HB1      ALA  76  -1.475  -9.700 -15.349
  564    HB2  ALA  76           HB2      ALA  76  -2.363  -9.367 -16.836
  565    HB3  ALA  76           HB3      ALA  76  -2.355  -8.182 -15.530
  Start of MODEL   10
    1    H1   MET   1           HT1      MET   1   8.209   6.821  17.550
    2    H2   MET   1           HT2      MET   1   8.370   8.201  16.587
    3    H3   MET   1           HT3      MET   1   9.735   7.508  17.304
    4    HA   MET   1           HA       MET   1   9.749   6.913  15.027
    5    HB2  MET   1           HB2      MET   1   8.788   4.604  16.728
    6    HB3  MET   1           HB1      MET   1   9.642   4.454  15.198
    7    HG2  MET   1           HG2      MET   1  11.590   5.554  16.174
    8    HG3  MET   1           HG1      MET   1  10.733   5.708  17.707
    9    HE1  MET   1           HE1      MET   1  12.257   3.206  15.090
   10    HE2  MET   1           HE2      MET   1  10.586   2.659  15.229
   11    HE3  MET   1           HE3      MET   1  11.897   1.650  15.841
   12    H    ASP   2           HN       ASP   2   6.621   6.685  16.504
   13    HA   ASP   2           HA       ASP   2   5.187   5.344  14.525
   14    HB2  ASP   2           HB2      ASP   2   3.204   6.505  15.421
   15    HB3  ASP   2           HB1      ASP   2   4.226   5.872  16.708
   16    H    TRP   3           HN       TRP   3   6.323   8.649  14.687
   17    HA   TRP   3           HA       TRP   3   4.738   9.703  12.598
   18    HB2  TRP   3           HB2      TRP   3   6.593  11.439  12.464
   19    HB3  TRP   3           HB1      TRP   3   5.814  11.261  14.035
   20    HD1  TRP   3           HD1      TRP   3   7.263  10.212  16.015
   21    HE1  TRP   3           HE1      TRP   3   9.795   9.908  16.321
   22    HE3  TRP   3           HE3      TRP   3   8.760  10.954  11.183
   23    HZ2  TRP   3           HZ2      TRP   3  12.128   9.981  14.729
   24    HZ3  TRP   3           HZ3      TRP   3  11.161  10.821  10.660
   25    HH2  TRP   3           HH2      TRP   3  12.808  10.345  12.397
   26    H    ARG   4           HN       ARG   4   7.862   8.074  12.662
   27    HA   ARG   4           HA       ARG   4   8.493   8.492   9.928
   28    HB2  ARG   4           HB2      ARG   4  10.197   7.908  11.591
   29    HB3  ARG   4           HB1      ARG   4   9.439   6.339  11.830
   30    HG2  ARG   4           HG2      ARG   4   9.940   5.742   9.514
   31    HG3  ARG   4           HG1      ARG   4  10.704   7.315   9.276
   32    HD2  ARG   4           HD2      ARG   4  11.577   5.195  11.236
   33    HD3  ARG   4           HD1      ARG   4  12.365   5.573   9.705
   34    HE   ARG   4           HE       ARG   4  12.479   7.114  12.163
   35   HH11  ARG   4          HH11      ARG   4  13.135   7.017   8.733
   36   HH12  ARG   4          HH12      ARG   4  14.319   8.277   8.801
   37   HH21  ARG   4          HH21      ARG   4  14.034   8.773  12.247
   38   HH22  ARG   4          HH22      ARG   4  14.829   9.274  10.792
   39    H    HIS   5           HN       HIS   5   6.830   5.912  11.681
   40    HA   HIS   5           HA       HIS   5   6.635   4.100   9.535
   41    HB2  HIS   5           HB2      HIS   5   4.853   4.487  11.950
   42    HB3  HIS   5           HB1      HIS   5   4.724   3.129  10.836
   43    HD1  HIS   5           HD1      HIS   5   6.898   1.549  10.724
   44    HD2  HIS   5           HD2      HIS   5   6.666   4.143  13.959
   45    HE1  HIS   5           HE1      HIS   5   8.549   0.673  12.408
   46    HE2  HIS   5           HE2      HIS   5   8.455   2.310  14.321
   47    H    LYS   6           HN       LYS   6   4.671   6.840  10.524
   48    HA   LYS   6           HA       LYS   6   2.771   6.287   8.388
   49    HB2  LYS   6           HB2      LYS   6   2.828   8.559  10.387
   50    HB3  LYS   6           HB1      LYS   6   1.512   8.197   9.277
   51    HG2  LYS   6           HG2      LYS   6   2.457   6.464  11.550
   52    HG3  LYS   6           HG1      LYS   6   0.980   7.430  11.506
   53    HD2  LYS   6           HD2      LYS   6   0.208   6.089   9.576
   54    HD3  LYS   6           HD1      LYS   6   1.650   5.084   9.732
   55    HE2  LYS   6           HE2      LYS   6  -0.226   4.001  10.807
   56    HE3  LYS   6           HE1      LYS   6   0.962   4.487  12.015
   57    HZ1  LYS   6           HZ1      LYS   6  -1.294   4.993  12.723
   58    HZ2  LYS   6           HZ2      LYS   6  -1.529   5.965  11.359
   59    HZ3  LYS   6           HZ3      LYS   6  -0.394   6.414  12.530
   60    H    ALA   7           HN       ALA   7   5.703   7.686   8.782
   61    HA   ALA   7           HA       ALA   7   5.468  10.026   7.192
   62    HB1  ALA   7           HB1      ALA   7   7.879  10.042   7.142
   63    HB2  ALA   7           HB2      ALA   7   7.944   8.363   7.671
   64    HB3  ALA   7           HB3      ALA   7   7.355   9.610   8.768
   65    H    VAL   8           HN       VAL   8   6.477   6.695   6.633
   66    HA   VAL   8           HA       VAL   8   6.670   7.147   3.801
   67    HB   VAL   8           HB       VAL   8   6.624   4.395   4.993
   68   HG11  VAL   8          HG11      VAL   8   8.230   3.965   3.185
   69   HG12  VAL   8          HG12      VAL   8   8.153   5.663   2.715
   70   HG13  VAL   8          HG13      VAL   8   6.724   4.640   2.563
   71   HG21  VAL   8          HG21      VAL   8   8.942   6.333   5.083
   72   HG22  VAL   8          HG22      VAL   8   9.069   4.601   5.386
   73   HG23  VAL   8          HG23      VAL   8   8.112   5.617   6.464
   74    H    CYS   9           HN       CYS   9   4.242   6.287   6.102
   75    HA   CYS   9           HA       CYS   9   2.392   4.864   4.584
   76    HB2  CYS   9           HB2      CYS   9   2.202   6.784   6.833
   77    HB3  CYS   9           HB1      CYS   9   0.746   6.606   5.880
   78    H    ARG  10           HN       ARG  10   2.271   8.354   5.143
   79    HA   ARG  10           HA       ARG  10   0.601   8.883   2.911
   80    HB2  ARG  10           HB2      ARG  10   2.081  10.582   4.879
   81    HB3  ARG  10           HB1      ARG  10   1.340  11.322   3.467
   82    HG2  ARG  10           HG2      ARG  10  -0.132  11.452   5.388
   83    HG3  ARG  10           HG1      ARG  10  -0.833  10.430   4.132
   84    HD2  ARG  10           HD2      ARG  10  -0.054   8.439   5.341
   85    HD3  ARG  10           HD1      ARG  10   0.607   9.475   6.604
   86    HE   ARG  10           HE       ARG  10  -2.107  10.085   6.271
   87   HH11  ARG  10          HH11      ARG  10  -0.085   7.492   7.441
   88   HH12  ARG  10          HH12      ARG  10  -1.273   6.903   8.555
   89   HH21  ARG  10          HH21      ARG  10  -3.668   9.312   7.738
   90   HH22  ARG  10          HH22      ARG  10  -3.305   7.936   8.724
   91    H    ASP  11           HN       ASP  11   4.017   8.660   3.258
   92    HA   ASP  11           HA       ASP  11   4.587  10.251   0.913
   93    HB2  ASP  11           HB2      ASP  11   6.308   8.640   2.777
   94    HB3  ASP  11           HB1      ASP  11   6.951   9.338   1.296
   95    H    GLU  12           HN       GLU  12   3.096   7.458   1.035
   96    HA   GLU  12           HA       GLU  12   4.697   5.900  -0.778
   97    HB2  GLU  12           HB2      GLU  12   2.689   5.385   1.083
   98    HB3  GLU  12           HB1      GLU  12   1.911   5.080  -0.455
   99    HG2  GLU  12           HG2      GLU  12   2.775   3.018   0.094
  100    HG3  GLU  12           HG1      GLU  12   4.022   3.675  -0.964
  101    H    ASP  13           HN       ASP  13   1.994   5.144  -2.187
  102    HA   ASP  13           HA       ASP  13   2.124   7.378  -4.087
  103    HB2  ASP  13           HB2      ASP  13   2.810   4.993  -4.860
  104    HB3  ASP  13           HB1      ASP  13   1.083   4.639  -4.855
  105    HA   PRO  14           HA       PRO  14  -2.016   8.370  -2.742
  106    HB2  PRO  14           HB2      PRO  14  -2.652   9.748  -5.096
  107    HB3  PRO  14           HB1      PRO  14  -1.953  10.460  -3.639
  108    HG2  PRO  14           HG2      PRO  14  -0.618   9.602  -6.160
  109    HG3  PRO  14           HG1      PRO  14  -0.244  10.971  -5.097
  110    HD2  PRO  14           HD2      PRO  14   1.257   8.750  -5.103
  111    HD3  PRO  14           HD1      PRO  14   0.938   9.647  -3.602
  112    H    GLU  15           HN       GLU  15  -1.068   6.869  -5.722
  113    HA   GLU  15           HA       GLU  15  -3.652   6.101  -6.598
  114    HB2  GLU  15           HB2      GLU  15  -0.932   4.931  -7.275
  115    HB3  GLU  15           HB1      GLU  15  -2.430   4.615  -8.142
  116    HG2  GLU  15           HG2      GLU  15  -1.087   7.293  -7.883
  117    HG3  GLU  15           HG1      GLU  15  -1.049   6.245  -9.300
  118    H    LEU  16           HN       LEU  16  -1.501   4.881  -4.190
  119    HA   LEU  16           HA       LEU  16  -2.464   2.201  -4.160
  120    HB2  LEU  16           HB2      LEU  16  -1.063   3.788  -1.999
  121    HB3  LEU  16           HB1      LEU  16  -1.369   2.063  -1.928
  122    HG   LEU  16           HG       LEU  16   0.712   3.539  -3.387
  123   HD11  LEU  16          HD11      LEU  16   1.885   1.378  -3.275
  124   HD12  LEU  16          HD12      LEU  16   0.447   0.659  -2.529
  125   HD13  LEU  16          HD13      LEU  16   1.331   1.929  -1.681
  126   HD21  LEU  16          HD21      LEU  16  -0.562   2.972  -5.302
  127   HD22  LEU  16          HD22      LEU  16  -0.846   1.347  -4.685
  128   HD23  LEU  16          HD23      LEU  16   0.773   1.828  -5.173
  129    H    PHE  17           HN       PHE  17  -3.877   5.100  -3.258
  130    HA   PHE  17           HA       PHE  17  -5.715   3.776  -1.395
  131    HB2  PHE  17           HB2      PHE  17  -5.347   6.719  -2.009
  132    HB3  PHE  17           HB1      PHE  17  -6.470   6.058  -0.825
  133    HD1  PHE  17           HD1      PHE  17  -2.969   6.764  -1.586
  134    HD2  PHE  17           HD2      PHE  17  -5.680   5.170   1.279
  135    HE1  PHE  17           HE1      PHE  17  -1.204   6.849   0.125
  136    HE2  PHE  17           HE2      PHE  17  -3.920   5.253   2.997
  137    HZ   PHE  17           HZ       PHE  17  -1.678   6.094   2.421
  138    H    PHE  18           HN       PHE  18  -5.396   4.624  -4.631
  139    HA   PHE  18           HA       PHE  18  -8.305   4.416  -5.019
  140    HB2  PHE  18           HB2      PHE  18  -6.436   6.295  -6.472
  141    HB3  PHE  18           HB1      PHE  18  -8.115   6.010  -6.918
  142    HD1  PHE  18           HD1      PHE  18  -5.983   7.175  -4.108
  143    HD2  PHE  18           HD2      PHE  18  -9.807   7.283  -5.971
  144    HE1  PHE  18           HE1      PHE  18  -6.690   8.940  -2.546
  145    HE2  PHE  18           HE2      PHE  18 -10.521   9.049  -4.414
  146    HZ   PHE  18           HZ       PHE  18  -8.961   9.880  -2.699
  147    HA   PRO  19           HA       PRO  19  -6.899   0.970  -7.535
  148    HB2  PRO  19           HB2      PRO  19  -9.682   1.042  -8.537
  149    HB3  PRO  19           HB1      PRO  19  -8.790  -0.283  -7.786
  150    HG2  PRO  19           HG2      PRO  19 -10.722   1.012  -6.469
  151    HG3  PRO  19           HG1      PRO  19  -9.264   0.430  -5.645
  152    HD2  PRO  19           HD2      PRO  19  -9.972   3.203  -6.516
  153    HD3  PRO  19           HD1      PRO  19  -9.150   2.659  -5.039
  154    H    VAL  20           HN       VAL  20  -6.188   0.760  -9.604
  155    HA   VAL  20           HA       VAL  20  -6.224   3.019 -11.316
  156    HB   VAL  20           HB       VAL  20  -5.422   0.205 -12.052
  157   HG11  VAL  20          HG11      VAL  20  -3.939   1.383 -13.655
  158   HG12  VAL  20          HG12      VAL  20  -4.715   2.898 -13.204
  159   HG13  VAL  20          HG13      VAL  20  -5.654   1.622 -13.979
  160   HG21  VAL  20          HG21      VAL  20  -3.929   2.378 -10.621
  161   HG22  VAL  20          HG22      VAL  20  -3.098   1.101 -11.508
  162   HG23  VAL  20          HG23      VAL  20  -4.144   0.693 -10.147
  163    H    GLY  21           HN       GLY  21  -7.044   3.152 -13.460
  164    HA2  GLY  21           HA2      GLY  21  -8.777   1.300 -14.641
  165    HA3  GLY  21           HA1      GLY  21  -9.749   2.411 -13.692
  166    H    ASN  22           HN       ASN  22  -7.489   4.475 -14.402
  167    HA   ASN  22           HA       ASN  22  -8.524   5.054 -17.094
  168    HB2  ASN  22           HB2      ASN  22  -7.917   7.027 -14.887
  169    HB3  ASN  22           HB1      ASN  22  -8.417   7.451 -16.522
  170   HD21  ASN  22          HD21      ASN  22 -10.534   7.062 -17.168
  171   HD22  ASN  22          HD22      ASN  22 -11.798   6.756 -16.030
  172    H    SER  23           HN       SER  23  -5.693   4.590 -15.200
  173    HA   SER  23           HA       SER  23  -4.108   5.504 -17.493
  174    HB2  SER  23           HB2      SER  23  -2.466   6.570 -15.992
  175    HB3  SER  23           HB1      SER  23  -4.051   7.340 -15.883
  176    HG   SER  23           HG       SER  23  -4.343   6.485 -13.914
  177    H    GLY  24           HN       GLY  24  -2.035   4.622 -17.683
  178    HA2  GLY  24           HA2      GLY  24  -1.761   1.967 -16.523
  179    HA3  GLY  24           HA1      GLY  24  -0.803   2.632 -17.840
  180    HA   PRO  25           HA       PRO  25   2.397   4.371 -15.252
  181    HB2  PRO  25           HB2      PRO  25   0.925   6.916 -14.712
  182    HB3  PRO  25           HB1      PRO  25   2.601   6.679 -15.227
  183    HG2  PRO  25           HG2      PRO  25   0.760   7.462 -16.973
  184    HG3  PRO  25           HG1      PRO  25   2.005   6.287 -17.436
  185    HD2  PRO  25           HD2      PRO  25  -0.877   5.851 -16.815
  186    HD3  PRO  25           HD1      PRO  25   0.160   5.021 -17.991
  187    H    ALA  26           HN       ALA  26  -0.874   4.664 -14.115
  188    HA   ALA  26           HA       ALA  26  -0.353   5.155 -11.400
  189    HB1  ALA  26           HB1      ALA  26  -2.643   4.554 -12.949
  190    HB2  ALA  26           HB2      ALA  26  -2.570   5.120 -11.278
  191    HB3  ALA  26           HB3      ALA  26  -2.593   3.387 -11.618
  192    H    LEU  27           HN       LEU  27  -0.270   2.239 -13.300
  193    HA   LEU  27           HA       LEU  27  -0.084   0.413 -11.135
  194    HB2  LEU  27           HB2      LEU  27   0.862   0.256 -13.987
  195    HB3  LEU  27           HB1      LEU  27   0.975  -1.084 -12.866
  196    HG   LEU  27           HG       LEU  27  -0.944  -1.481 -14.200
  197   HD11  LEU  27          HD11      LEU  27  -1.298  -1.997 -11.881
  198   HD12  LEU  27          HD12      LEU  27  -2.791  -1.350 -12.562
  199   HD13  LEU  27          HD13      LEU  27  -1.772  -0.334 -11.542
  200   HD21  LEU  27          HD21      LEU  27  -2.718   0.132 -14.523
  201   HD22  LEU  27          HD22      LEU  27  -1.182   0.801 -15.065
  202   HD23  LEU  27          HD23      LEU  27  -1.867   1.307 -13.521
  203    H    ALA  28           HN       ALA  28   2.275   2.137 -13.090
  204    HA   ALA  28           HA       ALA  28   4.541   0.976 -11.818
  205    HB1  ALA  28           HB1      ALA  28   5.834   2.716 -12.943
  206    HB2  ALA  28           HB2      ALA  28   4.342   3.556 -13.368
  207    HB3  ALA  28           HB3      ALA  28   4.685   1.968 -14.054
  208    H    GLN  29           HN       GLN  29   2.549   3.766 -11.285
  209    HA   GLN  29           HA       GLN  29   4.265   5.032  -9.350
  210    HB2  GLN  29           HB2      GLN  29   1.585   5.455 -10.490
  211    HB3  GLN  29           HB1      GLN  29   1.689   5.894  -8.791
  212    HG2  GLN  29           HG2      GLN  29   2.123   7.775 -10.329
  213    HG3  GLN  29           HG1      GLN  29   3.458   7.446  -9.226
  214   HE21  GLN  29          HE21      GLN  29   4.950   8.451 -10.559
  215   HE22  GLN  29          HE22      GLN  29   5.491   7.746 -12.040
  216    H    ILE  30           HN       ILE  30   1.295   3.187  -9.182
  217    HA   ILE  30           HA       ILE  30   1.117   2.828  -6.475
  218    HB   ILE  30           HB       ILE  30   0.198   1.124  -8.776
  219   HG12  ILE  30          HG12      ILE  30  -1.487   2.861  -7.006
  220   HG13  ILE  30          HG11      ILE  30  -0.587   3.543  -8.355
  221   HG21  ILE  30          HG21      ILE  30  -1.359   0.797  -6.395
  222   HG22  ILE  30          HG22      ILE  30   0.316   0.339  -6.111
  223   HG23  ILE  30          HG23      ILE  30  -0.597  -0.421  -7.421
  224   HD11  ILE  30          HD11      ILE  30  -3.028   1.947  -8.335
  225   HD12  ILE  30          HD12      ILE  30  -1.849   1.480  -9.561
  226   HD13  ILE  30          HD13      ILE  30  -2.450   3.137  -9.500
  227    H    ALA  31           HN       ALA  31   2.762   0.899  -8.879
  228    HA   ALA  31           HA       ALA  31   3.455  -1.280  -7.258
  229    HB1  ALA  31           HB1      ALA  31   3.604  -1.336  -9.700
  230    HB2  ALA  31           HB2      ALA  31   5.137  -1.787  -8.953
  231    HB3  ALA  31           HB3      ALA  31   4.935  -0.179  -9.647
  232    H    ASP  32           HN       ASP  32   4.753   1.907  -7.528
  233    HA   ASP  32           HA       ASP  32   7.335   1.271  -6.436
  234    HB2  ASP  32           HB2      ASP  32   5.956   3.920  -6.907
  235    HB3  ASP  32           HB1      ASP  32   7.592   3.764  -6.276
  236    H    ALA  33           HN       ALA  33   4.353   2.717  -5.347
  237    HA   ALA  33           HA       ALA  33   5.249   3.161  -2.690
  238    HB1  ALA  33           HB1      ALA  33   3.464   4.478  -3.311
  239    HB2  ALA  33           HB2      ALA  33   2.713   3.278  -2.268
  240    HB3  ALA  33           HB3      ALA  33   2.573   3.137  -4.021
  241    H    LYS  34           HN       LYS  34   3.683   0.521  -4.374
  242    HA   LYS  34           HA       LYS  34   2.951  -1.034  -2.162
  243    HB2  LYS  34           HB2      LYS  34   2.122  -1.527  -4.386
  244    HB3  LYS  34           HB1      LYS  34   3.750  -1.857  -4.959
  245    HG2  LYS  34           HG2      LYS  34   2.721  -3.470  -2.690
  246    HG3  LYS  34           HG1      LYS  34   2.079  -3.790  -4.303
  247    HD2  LYS  34           HD2      LYS  34   4.453  -3.988  -5.099
  248    HD3  LYS  34           HD1      LYS  34   4.956  -3.911  -3.410
  249    HE2  LYS  34           HE2      LYS  34   3.605  -5.899  -2.927
  250    HE3  LYS  34           HE1      LYS  34   3.122  -5.976  -4.621
  251    HZ1  LYS  34           HZ1      LYS  34   4.928  -7.505  -4.146
  252    HZ2  LYS  34           HZ2      LYS  34   5.900  -6.232  -3.602
  253    HZ3  LYS  34           HZ3      LYS  34   5.438  -6.307  -5.227
  254    H    LEU  35           HN       LEU  35   6.005  -0.771  -3.944
  255    HA   LEU  35           HA       LEU  35   7.268  -2.935  -2.566
  256    HB2  LEU  35           HB2      LEU  35   8.379  -0.639  -4.173
  257    HB3  LEU  35           HB1      LEU  35   9.373  -1.915  -3.502
  258    HG   LEU  35           HG       LEU  35   8.939  -3.281  -5.213
  259   HD11  LEU  35          HD11      LEU  35   6.713  -3.840  -6.017
  260   HD12  LEU  35          HD12      LEU  35   6.026  -2.508  -5.091
  261   HD13  LEU  35          HD13      LEU  35   6.766  -3.871  -4.255
  262   HD21  LEU  35          HD21      LEU  35   7.714  -2.089  -7.200
  263   HD22  LEU  35          HD22      LEU  35   9.319  -1.572  -6.684
  264   HD23  LEU  35          HD23      LEU  35   7.895  -0.665  -6.172
  265    H    VAL  36           HN       VAL  36   7.309   0.584  -2.202
  266    HA   VAL  36           HA       VAL  36   9.179   0.619  -0.061
  267    HB   VAL  36           HB       VAL  36   7.115   2.700  -0.802
  268   HG11  VAL  36          HG11      VAL  36   9.614   2.926   0.874
  269   HG12  VAL  36          HG12      VAL  36   7.954   3.010   1.464
  270   HG13  VAL  36          HG13      VAL  36   8.574   4.266   0.393
  271   HG21  VAL  36          HG21      VAL  36  10.021   2.502  -1.584
  272   HG22  VAL  36          HG22      VAL  36   8.895   3.778  -2.044
  273   HG23  VAL  36          HG23      VAL  36   8.656   2.136  -2.638
  274    H    CYS  37           HN       CYS  37   5.637   0.727  -0.174
  275    HA   CYS  37           HA       CYS  37   5.192   1.053   2.582
  276    HB2  CYS  37           HB2      CYS  37   3.479   1.387   0.809
  277    HB3  CYS  37           HB1      CYS  37   3.426  -0.352   0.564
  278    H    ASN  38           HN       ASN  38   5.800  -1.781   0.610
  279    HA   ASN  38           HA       ASN  38   5.180  -3.630   2.730
  280    HB2  ASN  38           HB2      ASN  38   6.414  -3.999   0.000
  281    HB3  ASN  38           HB1      ASN  38   6.141  -5.326   1.124
  282   HD21  ASN  38          HD21      ASN  38   5.010  -4.899  -1.510
  283   HD22  ASN  38          HD22      ASN  38   3.296  -4.856  -1.302
  284    H    ARG  39           HN       ARG  39   8.037  -2.043   1.478
  285    HA   ARG  39           HA       ARG  39   9.766  -3.713   3.143
  286    HB2  ARG  39           HB2      ARG  39  10.431  -1.539   1.151
  287    HB3  ARG  39           HB1      ARG  39  11.620  -2.476   2.047
  288    HG2  ARG  39           HG2      ARG  39  10.829  -4.519   0.978
  289    HG3  ARG  39           HG1      ARG  39   9.622  -3.590   0.089
  290    HD2  ARG  39           HD2      ARG  39  11.569  -4.055  -1.303
  291    HD3  ARG  39           HD1      ARG  39  11.397  -2.324  -1.011
  292    HE   ARG  39           HE       ARG  39  13.109  -3.380   0.933
  293   HH11  ARG  39          HH11      ARG  39  13.045  -2.811  -2.510
  294   HH12  ARG  39          HH12      ARG  39  14.760  -2.620  -2.637
  295   HH21  ARG  39          HH21      ARG  39  15.367  -3.129   0.768
  296   HH22  ARG  39          HH22      ARG  39  16.080  -2.801  -0.777
  297    H    CYS  40           HN       CYS  40   7.994  -0.911   3.486
  298    HA   CYS  40           HA       CYS  40   9.847   0.598   5.068
  299    HB2  CYS  40           HB2      CYS  40   8.320   2.074   4.261
  300    HB3  CYS  40           HB1      CYS  40   7.050   0.866   4.163
  301    HA   PRO  41           HA       PRO  41   9.813  -1.222   9.067
  302    HB2  PRO  41           HB2      PRO  41   8.573   1.376   9.909
  303    HB3  PRO  41           HB1      PRO  41   9.876   0.459  10.675
  304    HG2  PRO  41           HG2      PRO  41  10.414   2.580   9.152
  305    HG3  PRO  41           HG1      PRO  41  11.451   1.143   9.119
  306    HD2  PRO  41           HD2      PRO  41   9.550   2.141   7.083
  307    HD3  PRO  41           HD1      PRO  41  10.980   1.111   6.885
  308    H    VAL  42           HN       VAL  42   8.355  -2.815   9.249
  309    HA   VAL  42           HA       VAL  42   5.538  -2.427   8.984
  310    HB   VAL  42           HB       VAL  42   6.604  -4.538   8.338
  311   HG11  VAL  42          HG11      VAL  42   7.357  -6.123  10.050
  312   HG12  VAL  42          HG12      VAL  42   7.091  -4.900  11.293
  313   HG13  VAL  42          HG13      VAL  42   8.323  -4.648  10.056
  314   HG21  VAL  42          HG21      VAL  42   4.239  -4.556   8.876
  315   HG22  VAL  42          HG22      VAL  42   4.606  -4.816  10.581
  316   HG23  VAL  42          HG23      VAL  42   4.990  -6.065   9.397
  317    H    THR  43           HN       THR  43   4.016  -2.157  10.489
  318    HA   THR  43           HA       THR  43   4.738  -2.368  13.326
  319    HB   THR  43           HB       THR  43   3.453  -0.341  13.830
  320    HG1  THR  43           HG1      THR  43   2.956   1.033  11.959
  321   HG21  THR  43          HG21      THR  43   5.028   1.296  12.998
  322   HG22  THR  43          HG22      THR  43   5.604   0.155  11.784
  323   HG23  THR  43          HG23      THR  43   5.871  -0.170  13.497
  324    H    THR  44           HN       THR  44   2.789  -2.202  14.736
  325    HA   THR  44           HA       THR  44   0.932  -4.189  14.179
  326    HB   THR  44           HB       THR  44   0.554  -1.838  16.053
  327    HG1  THR  44           HG1      THR  44   2.096  -2.777  17.148
  328   HG21  THR  44          HG21      THR  44  -1.519  -3.063  15.624
  329   HG22  THR  44          HG22      THR  44  -0.952  -3.347  17.269
  330   HG23  THR  44          HG23      THR  44  -0.717  -4.580  16.031
  331    H    GLU  45           HN       GLU  45   1.040  -0.829  13.302
  332    HA   GLU  45           HA       GLU  45  -1.677  -0.333  12.794
  333    HB2  GLU  45           HB2      GLU  45   0.851   0.745  11.546
  334    HB3  GLU  45           HB1      GLU  45  -0.742   1.307  11.059
  335    HG2  GLU  45           HG2      GLU  45   0.274   2.799  12.688
  336    HG3  GLU  45           HG1      GLU  45  -1.194   2.060  13.321
  337    H    CYS  46           HN       CYS  46   0.861  -1.643  10.718
  338    HA   CYS  46           HA       CYS  46  -0.805  -1.949   8.430
  339    HB2  CYS  46           HB2      CYS  46   1.617  -3.652   8.747
  340    HB3  CYS  46           HB1      CYS  46   1.050  -2.751   7.348
  341    H    LEU  47           HN       LEU  47   0.332  -4.197  10.945
  342    HA   LEU  47           HA       LEU  47  -0.865  -6.500   9.809
  343    HB2  LEU  47           HB2      LEU  47  -0.042  -5.880  12.641
  344    HB3  LEU  47           HB1      LEU  47  -0.658  -7.443  12.140
  345    HG   LEU  47           HG       LEU  47   1.266  -7.494  10.463
  346   HD11  LEU  47          HD11      LEU  47   1.888  -5.182  10.477
  347   HD12  LEU  47          HD12      LEU  47   3.223  -6.123  11.142
  348   HD13  LEU  47          HD13      LEU  47   2.157  -5.219  12.218
  349   HD21  LEU  47          HD21      LEU  47   2.851  -8.272  12.165
  350   HD22  LEU  47          HD22      LEU  47   1.218  -8.867  12.468
  351   HD23  LEU  47          HD23      LEU  47   1.860  -7.527  13.420
  352    H    SER  48           HN       SER  48  -1.922  -4.281  12.352
  353    HA   SER  48           HA       SER  48  -4.341  -5.559  12.954
  354    HB2  SER  48           HB2      SER  48  -5.018  -3.420  13.966
  355    HB3  SER  48           HB1      SER  48  -3.362  -3.836  14.404
  356    HG   SER  48           HG       SER  48  -2.681  -2.414  12.710
  357    H    TRP  49           HN       TRP  49  -3.486  -3.259  10.485
  358    HA   TRP  49           HA       TRP  49  -6.109  -2.609   9.650
  359    HB2  TRP  49           HB2      TRP  49  -4.156  -1.243   9.040
  360    HB3  TRP  49           HB1      TRP  49  -3.528  -2.569   8.066
  361    HD1  TRP  49           HD1      TRP  49  -4.677  -3.011   5.701
  362    HE1  TRP  49           HE1      TRP  49  -6.214  -1.563   4.229
  363    HE3  TRP  49           HE3      TRP  49  -6.049   0.496   9.159
  364    HZ2  TRP  49           HZ2      TRP  49  -7.799   0.757   4.498
  365    HZ3  TRP  49           HZ3      TRP  49  -7.578   2.296   8.472
  366    HH2  TRP  49           HH2      TRP  49  -8.434   2.422   6.188
  367    H    ALA  50           HN       ALA  50  -3.774  -5.041   8.578
  368    HA   ALA  50           HA       ALA  50  -5.267  -6.089   6.449
  369    HB1  ALA  50           HB1      ALA  50  -2.882  -6.567   6.824
  370    HB2  ALA  50           HB2      ALA  50  -3.831  -8.037   6.610
  371    HB3  ALA  50           HB3      ALA  50  -3.311  -7.550   8.223
  372    H    LEU  51           HN       LEU  51  -5.283  -6.794   9.900
  373    HA   LEU  51           HA       LEU  51  -6.949  -9.067   9.780
  374    HB2  LEU  51           HB2      LEU  51  -6.513  -7.097  12.018
  375    HB3  LEU  51           HB1      LEU  51  -7.348  -8.629  12.190
  376    HG   LEU  51           HG       LEU  51  -4.440  -8.269  11.463
  377   HD11  LEU  51          HD11      LEU  51  -4.909  -7.768  13.798
  378   HD12  LEU  51          HD12      LEU  51  -4.017  -9.283  13.646
  379   HD13  LEU  51          HD13      LEU  51  -5.751  -9.308  13.971
  380   HD21  LEU  51          HD21      LEU  51  -6.048 -10.783  11.899
  381   HD22  LEU  51          HD22      LEU  51  -4.303 -10.704  11.651
  382   HD23  LEU  51          HD23      LEU  51  -5.401 -10.218  10.359
  383    H    ASN  52           HN       ASN  52  -7.608  -5.646  10.096
  384    HA   ASN  52           HA       ASN  52 -10.406  -5.938  10.536
  385    HB2  ASN  52           HB2      ASN  52  -8.705  -3.591   9.705
  386    HB3  ASN  52           HB1      ASN  52 -10.452  -3.471   9.903
  387   HD21  ASN  52          HD21      ASN  52 -11.348  -3.670  11.960
  388   HD22  ASN  52          HD22      ASN  52 -10.397  -3.488  13.390
  389    H    THR  53           HN       THR  53  -8.396  -5.893   7.741
  390    HA   THR  53           HA       THR  53 -10.732  -5.632   5.977
  391    HB   THR  53           HB       THR  53  -9.204  -5.179   4.175
  392    HG1  THR  53           HG1      THR  53  -7.222  -5.931   6.068
  393   HG21  THR  53          HG21      THR  53  -8.043  -3.167   5.048
  394   HG22  THR  53          HG22      THR  53  -8.432  -3.696   6.685
  395   HG23  THR  53          HG23      THR  53  -9.727  -3.272   5.565
  396    H    GLY  54           HN       GLY  54  -8.979  -8.001   7.456
  397    HA2  GLY  54           HA2      GLY  54  -8.913 -10.278   7.164
  398    HA3  GLY  54           HA1      GLY  54 -10.098 -10.074   5.883
  399    H    GLN  55           HN       GLN  55  -6.962  -8.507   5.861
  400    HA   GLN  55           HA       GLN  55  -6.289 -10.056   3.462
  401    HB2  GLN  55           HB2      GLN  55  -5.212  -7.437   4.513
  402    HB3  GLN  55           HB1      GLN  55  -4.591  -8.252   3.085
  403    HG2  GLN  55           HG2      GLN  55  -7.363  -7.150   3.475
  404    HG3  GLN  55           HG1      GLN  55  -6.101  -6.506   2.428
  405   HE21  GLN  55          HE21      GLN  55  -5.245  -9.135   1.508
  406   HE22  GLN  55          HE22      GLN  55  -6.467  -9.688   0.421
  407    H    ASP  56           HN       ASP  56  -4.118 -10.828   3.159
  408    HA   ASP  56           HA       ASP  56  -3.061 -12.028   5.547
  409    HB2  ASP  56           HB2      ASP  56  -2.053 -12.113   2.696
  410    HB3  ASP  56           HB1      ASP  56  -1.458 -13.115   4.016
  411    H    SER  57           HN       SER  57  -1.323 -11.422   6.716
  412    HA   SER  57           HA       SER  57   0.686  -9.660   5.617
  413    HB2  SER  57           HB2      SER  57  -1.051  -8.750   7.925
  414    HB3  SER  57           HB1      SER  57   0.409  -7.931   7.367
  415    HG   SER  57           HG       SER  57  -0.772  -6.999   5.919
  416    H    GLY  58           HN       GLY  58   2.587  -9.569   6.873
  417    HA2  GLY  58           HA2      GLY  58   2.748 -10.827   9.443
  418    HA3  GLY  58           HA1      GLY  58   3.370 -11.859   8.164
  419    H    VAL  59           HN       VAL  59   5.096 -10.950   6.795
  420    HA   VAL  59           HA       VAL  59   6.990  -9.492   8.461
  421    HB   VAL  59           HB       VAL  59   7.436 -10.749   5.750
  422   HG11  VAL  59          HG11      VAL  59   9.382  -9.809   7.855
  423   HG12  VAL  59          HG12      VAL  59   9.074  -9.037   6.299
  424   HG13  VAL  59          HG13      VAL  59   9.810 -10.640   6.359
  425   HG21  VAL  59          HG21      VAL  59   7.975 -11.863   8.501
  426   HG22  VAL  59          HG22      VAL  59   8.460 -12.609   6.979
  427   HG23  VAL  59          HG23      VAL  59   6.749 -12.432   7.368
  428    H    TRP  60           HN       TRP  60   5.080  -9.064   5.577
  429    HA   TRP  60           HA       TRP  60   6.482  -6.677   4.750
  430    HB2  TRP  60           HB2      TRP  60   3.891  -7.889   3.761
  431    HB3  TRP  60           HB1      TRP  60   4.732  -6.537   3.009
  432    HD1  TRP  60           HD1      TRP  60   6.956  -7.081   1.630
  433    HE1  TRP  60           HE1      TRP  60   7.874  -9.272   0.641
  434    HE3  TRP  60           HE3      TRP  60   4.038 -10.412   4.186
  435    HZ2  TRP  60           HZ2      TRP  60   7.421 -12.046   0.908
  436    HZ3  TRP  60           HZ3      TRP  60   4.343 -12.816   3.761
  437    HH2  TRP  60           HH2      TRP  60   6.000 -13.615   2.155
  438    H    GLY  61           HN       GLY  61   5.289  -4.620   4.425
  439    HA2  GLY  61           HA2      GLY  61   4.219  -3.690   6.858
  440    HA3  GLY  61           HA1      GLY  61   4.199  -2.818   5.334
  441    H    GLY  62           HN       GLY  62   2.206  -2.166   4.884
  442    HA2  GLY  62           HA2      GLY  62   0.023  -4.127   5.138
  443    HA3  GLY  62           HA1      GLY  62  -0.168  -2.518   5.817
  444    H    MET  63           HN       MET  63  -1.587  -3.996   3.628
  445    HA   MET  63           HA       MET  63  -1.498  -1.809   1.687
  446    HB2  MET  63           HB2      MET  63  -0.075  -3.508   0.716
  447    HB3  MET  63           HB1      MET  63  -1.295  -4.743   0.990
  448    HG2  MET  63           HG2      MET  63  -2.784  -3.419  -0.567
  449    HG3  MET  63           HG1      MET  63  -1.349  -2.480  -0.975
  450    HE1  MET  63           HE1      MET  63   0.924  -4.730  -0.796
  451    HE2  MET  63           HE2      MET  63   0.832  -3.515  -2.071
  452    HE3  MET  63           HE3      MET  63   1.006  -5.220  -2.489
  453    H    SER  64           HN       SER  64  -3.469  -1.251   0.884
  454    HA   SER  64           HA       SER  64  -5.782  -2.428   2.118
  455    HB2  SER  64           HB2      SER  64  -7.009  -0.575   1.086
  456    HB3  SER  64           HB1      SER  64  -5.573   0.023   1.916
  457    HG   SER  64           HG       SER  64  -4.840   0.722   0.080
  458    H    GLU  65           HN       GLU  65  -7.722  -2.819   0.785
  459    HA   GLU  65           HA       GLU  65  -7.267  -4.880  -1.066
  460    HB2  GLU  65           HB2      GLU  65  -9.733  -3.255  -0.449
  461    HB3  GLU  65           HB1      GLU  65  -9.739  -4.582  -1.602
  462    HG2  GLU  65           HG2      GLU  65 -10.556  -5.356   0.514
  463    HG3  GLU  65           HG1      GLU  65  -8.993  -6.102   0.186
  464    H    ASP  66           HN       ASP  66  -8.112  -1.473  -1.516
  465    HA   ASP  66           HA       ASP  66  -8.351  -1.577  -4.332
  466    HB2  ASP  66           HB2      ASP  66  -7.670   0.738  -2.506
  467    HB3  ASP  66           HB1      ASP  66  -8.084   0.900  -4.209
  468    H    GLU  67           HN       GLU  67  -5.730  -0.983  -2.131
  469    HA   GLU  67           HA       GLU  67  -3.765  -0.198  -3.986
  470    HB2  GLU  67           HB2      GLU  67  -3.697   0.029  -1.461
  471    HB3  GLU  67           HB1      GLU  67  -3.292  -1.679  -1.397
  472    HG2  GLU  67           HG2      GLU  67  -1.255  -1.285  -2.618
  473    HG3  GLU  67           HG1      GLU  67  -1.677   0.413  -2.833
  474    H    ARG  68           HN       ARG  68  -4.814  -3.330  -2.769
  475    HA   ARG  68           HA       ARG  68  -2.779  -4.886  -3.956
  476    HB2  ARG  68           HB2      ARG  68  -4.202  -5.739  -2.153
  477    HB3  ARG  68           HB1      ARG  68  -5.607  -5.651  -3.208
  478    HG2  ARG  68           HG2      ARG  68  -4.590  -7.323  -4.686
  479    HG3  ARG  68           HG1      ARG  68  -3.206  -7.427  -3.595
  480    HD2  ARG  68           HD2      ARG  68  -4.686  -8.170  -1.794
  481    HD3  ARG  68           HD1      ARG  68  -6.068  -8.063  -2.883
  482    HE   ARG  68           HE       ARG  68  -4.052  -9.757  -3.947
  483   HH11  ARG  68          HH11      ARG  68  -6.604  -9.649  -1.569
  484   HH12  ARG  68          HH12      ARG  68  -6.870 -11.360  -1.594
  485   HH21  ARG  68          HH21      ARG  68  -4.402 -12.007  -3.982
  486   HH22  ARG  68          HH22      ARG  68  -5.620 -12.699  -2.963
  487    H    ARG  69           HN       ARG  69  -5.937  -3.786  -5.091
  488    HA   ARG  69           HA       ARG  69  -6.043  -5.313  -7.448
  489    HB2  ARG  69           HB2      ARG  69  -7.972  -4.074  -6.510
  490    HB3  ARG  69           HB1      ARG  69  -7.201  -2.560  -6.963
  491    HG2  ARG  69           HG2      ARG  69  -7.366  -3.113  -9.296
  492    HG3  ARG  69           HG1      ARG  69  -7.987  -4.718  -8.909
  493    HD2  ARG  69           HD2      ARG  69  -9.338  -2.097  -8.280
  494    HD3  ARG  69           HD1      ARG  69  -9.784  -3.199  -9.579
  495    HE   ARG  69           HE       ARG  69 -10.306  -3.529  -6.742
  496   HH11  ARG  69          HH11      ARG  69 -10.283  -5.004  -9.909
  497   HH12  ARG  69          HH12      ARG  69 -11.396  -6.254  -9.468
  498   HH21  ARG  69          HH21      ARG  69 -11.765  -5.175  -6.166
  499   HH22  ARG  69          HH22      ARG  69 -12.237  -6.352  -7.346
  500    H    ALA  70           HN       ALA  70  -4.745  -2.083  -6.797
  501    HA   ALA  70           HA       ALA  70  -3.940  -1.430  -9.405
  502    HB1  ALA  70           HB1      ALA  70  -2.837  -0.615  -6.729
  503    HB2  ALA  70           HB2      ALA  70  -3.995   0.262  -7.732
  504    HB3  ALA  70           HB3      ALA  70  -2.325   0.081  -8.262
  505    H    LEU  71           HN       LEU  71  -2.356  -3.196  -6.834
  506    HA   LEU  71           HA       LEU  71   0.166  -3.496  -8.107
  507    HB2  LEU  71           HB2      LEU  71  -0.304  -3.727  -5.648
  508    HB3  LEU  71           HB1      LEU  71  -1.062  -5.269  -5.994
  509    HG   LEU  71           HG       LEU  71   1.283  -5.416  -5.133
  510   HD11  LEU  71          HD11      LEU  71   0.105  -7.147  -6.585
  511   HD12  LEU  71          HD12      LEU  71   1.863  -7.235  -6.481
  512   HD13  LEU  71          HD13      LEU  71   1.101  -6.537  -7.907
  513   HD21  LEU  71          HD21      LEU  71   2.183  -3.459  -6.292
  514   HD22  LEU  71          HD22      LEU  71   1.974  -4.280  -7.838
  515   HD23  LEU  71          HD23      LEU  71   3.115  -4.912  -6.652
  516    H    LYS  72           HN       LYS  72  -2.675  -5.616  -7.810
  517    HA   LYS  72           HA       LYS  72  -1.595  -7.790  -9.224
  518    HB2  LYS  72           HB2      LYS  72  -3.588  -8.004  -7.825
  519    HB3  LYS  72           HB1      LYS  72  -4.480  -6.949  -8.911
  520    HG2  LYS  72           HG2      LYS  72  -5.105  -9.223  -9.334
  521    HG3  LYS  72           HG1      LYS  72  -4.189  -8.612 -10.713
  522    HD2  LYS  72           HD2      LYS  72  -3.186 -10.652 -10.434
  523    HD3  LYS  72           HD1      LYS  72  -2.159  -9.660  -9.398
  524    HE2  LYS  72           HE2      LYS  72  -4.467 -11.388  -8.514
  525    HE3  LYS  72           HE1      LYS  72  -2.755 -11.726  -8.273
  526    HZ1  LYS  72           HZ1      LYS  72  -2.684  -9.584  -6.987
  527    HZ2  LYS  72           HZ2      LYS  72  -3.549 -10.842  -6.261
  528    HZ3  LYS  72           HZ3      LYS  72  -4.377  -9.584  -7.028
  529    H    ARG  73           HN       ARG  73  -3.120  -4.851 -10.245
  530    HA   ARG  73           HA       ARG  73  -3.589  -5.627 -12.943
  531    HB2  ARG  73           HB2      ARG  73  -3.444  -2.940 -11.585
  532    HB3  ARG  73           HB1      ARG  73  -3.775  -3.116 -13.302
  533    HG2  ARG  73           HG2      ARG  73  -5.437  -4.462 -11.195
  534    HG3  ARG  73           HG1      ARG  73  -5.771  -2.831 -11.776
  535    HD2  ARG  73           HD2      ARG  73  -7.149  -4.239 -13.058
  536    HD3  ARG  73           HD1      ARG  73  -5.795  -3.833 -14.111
  537    HE   ARG  73           HE       ARG  73  -5.430  -6.280 -12.649
  538   HH11  ARG  73          HH11      ARG  73  -6.776  -4.842 -15.530
  539   HH12  ARG  73          HH12      ARG  73  -6.736  -6.317 -16.436
  540   HH21  ARG  73          HH21      ARG  73  -5.377  -8.222 -13.839
  541   HH22  ARG  73          HH22      ARG  73  -5.943  -8.236 -15.476
  542    H    ARG  74           HN       ARG  74  -0.902  -4.105 -11.249
  543    HA   ARG  74           HA       ARG  74   0.516  -3.370 -13.605
  544    HB2  ARG  74           HB2      ARG  74   2.184  -2.598 -12.214
  545    HB3  ARG  74           HB1      ARG  74   0.800  -2.541 -11.136
  546    HG2  ARG  74           HG2      ARG  74   2.291  -3.533  -9.751
  547    HG3  ARG  74           HG1      ARG  74   1.651  -4.979 -10.531
  548    HD2  ARG  74           HD2      ARG  74   4.099  -5.009 -10.425
  549    HD3  ARG  74           HD1      ARG  74   3.514  -4.998 -12.087
  550    HE   ARG  74           HE       ARG  74   3.964  -2.357 -11.360
  551   HH11  ARG  74          HH11      ARG  74   5.822  -5.281 -11.780
  552   HH12  ARG  74          HH12      ARG  74   7.271  -4.445 -12.224
  553   HH21  ARG  74          HH21      ARG  74   5.870  -1.255 -11.945
  554   HH22  ARG  74          HH22      ARG  74   7.299  -2.160 -12.318
  555    H    ASN  75           HN       ASN  75   0.485  -6.226 -11.549
  556    HA   ASN  75           HA       ASN  75   2.730  -7.472 -12.791
  557    HB2  ASN  75           HB2      ASN  75   0.505  -8.573 -11.068
  558    HB3  ASN  75           HB1      ASN  75   1.855  -9.544 -11.647
  559   HD21  ASN  75          HD21      ASN  75   1.114  -8.947  -8.929
  560   HD22  ASN  75          HD22      ASN  75   2.463  -8.138  -8.215
  561    H    ALA  76           HN       ALA  76  -0.739  -7.508 -13.331
  562    HA   ALA  76           HA       ALA  76  -2.020  -8.314 -15.029
  563    HB1  ALA  76           HB1      ALA  76  -0.475  -7.021 -16.419
  564    HB2  ALA  76           HB2      ALA  76  -1.014  -8.484 -17.241
  565    HB3  ALA  76           HB3      ALA  76   0.597  -8.418 -16.527