*HEADER    VIRUS/VIRAL PROTEIN                     30-DEC-02   1NJ0              
*TITLE     NMR STRUCTURE OF A V3 (MN ISOLATE) PEPTIDE BOUND TO 447-52D,          
*TITLE    2 A HUMAN HIV-1 NEUTRALIZING ANTIBODY                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: EXTERIOR MEMBRANE GLYCOPROTEIN(GP120);                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: V3 LOOP (RESIDUES 309-324);                                
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1;            
*SOURCE   3 ORGANISM_COMMON: MN ISOLATE;                                         
*SOURCE   4 GENE: ENV;                                                           
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)PLYSS;                            
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET11D                                    
*KEYWDS    PEPTIDE-ANTIBODY COMPLEX, B-HAIRPIN                                   
*EXPDTA    NMR, 29 STRUCTURES                                                    
*AUTHOR    M.SHARON, N.KESSLER, R.LEVY, S.ZOLLA-PAZNER, M.GORLACH,               
*AUTHOR   2 J.ANGLISTER                                                          
*REVDAT   1   25-FEB-03 1NJ0    0                                                


!! 13C-NOESY constrains
  assign (resid  5 and  name HA  )(resid  5 and  name HE1 )  4.15  2.35  1.25
  assign (resid  5 and  name HA  )(resid  5 and  name HE2 )  4.15  2.35  1.25
  assign (resid  5 and  name HA  )(resid  7 and  name HG1#)  4.11  2.31  1.23
  assign (resid  5 and  name HA  )(resid  7 and  name HD# )  4.45  2.65  1.34
  assign (resid  5 and  name HA  )(resid  6 and  name HA  )  3.88  2.08  1.16
  assign (resid  5 and  name HB# )(resid  7 and  name HD# )  4.14  2.34  1.24
  assign (resid  5 and  name HB# )(resid  7 and  name HG11)  4.23  2.43  1.27
  assign (resid  5 and  name HB# )(resid  7 and  name HG12)  4.23  2.43  1.27
  assign (resid  5 and  name HB# )(resid  5 and  name HE# )  4.46  2.66  1.34
  assign (resid  5 and  name HB# )(resid  5 and  name HA  )  3.14  1.34  0.94
  assign (resid  5 and  name HB# )(resid  5 and  name HG1 )  3.22  1.42  0.97
  assign (resid  5 and  name HB# )(resid  5 and  name HG2 )  3.22  1.42  0.97
  assign (resid  5 and  name HB# )(resid  6 and  name HA  )  3.47  1.67  1.04
  assign (resid  5 and  name HB# )(resid 18 and  name HG2#)  5.04  3.24  1.51
  assign (resid  5 and  name HD# )(resid  7 and  name HD# )  3.87  2.07  1.16
  assign (resid  5 and  name HD# )(resid  5 and  name HA  )  3.49  1.69  1.05
  assign (resid  5 and  name HD# )(resid  6 and  name HA  )  4.30  2.50  1.29
  assign (resid  5 and  name HE# )(resid  7 and  name HD# )  4.63  2.83  1.39
  assign (resid  5 and  name HE# )(resid 16 and  name HE# )  4.46  2.66  1.34
  assign (resid  5 and  name HE# )(resid 18 and  name HB  )  3.80  2.00  1.14
  assign (resid  5 and  name HE# )(resid  5 and  name HD# )  3.28  1.48  0.98
  assign (resid  5 and  name HE# )(resid  5 and  name HG1 )  3.17  1.37  0.95
  assign (resid  5 and  name HE# )(resid  5 and  name HG2 )  3.17  1.37  0.95
  assign (resid  5 and  name HE# )(resid  6 and  name HA  )  4.43  2.63  1.33
  assign (resid  5 and  name HG1 )(resid  7 and  name HD# )  4.01  2.21  1.20
  assign (resid  5 and  name HG1 )(resid  7 and  name HG# )  4.48  2.68  1.34
  assign (resid  5 and  name HG1 )(resid  5 and  name HA  )  3.07  1.27  0.92
  assign (resid  5 and  name HG1 )(resid  5 and  name HB# )  3.07  1.27  0.92
  assign (resid  5 and  name HG# )(resid 18 and  name HG2#)  3.77  1.97  1.13
  assign (resid  5 and  name HG# )(resid  7 and  name HG1#)  4.17  2.37  1.25
  assign (resid  5 and  name HG2 )(resid  7 and  name HD# )  4.01  2.21  1.20
  assign (resid  5 and  name HG2 )(resid  7 and  name HG# )  4.48  2.68  1.34
  assign (resid  5 and  name HG2 )(resid  5 and  name HA  )  3.07  1.27  0.92
  assign (resid  5 and  name HG2 )(resid  5 and  name HB# )  3.07  1.27  0.92
  assign (resid  5 and  name HG# )(resid  5 and  name HE# )  3.54  1.74  1.06
  assign (resid  6 and  name HA  )(resid  6 and  name HD1 )  3.82  2.02  1.15
  assign (resid  6 and  name HA  )(resid  6 and  name HD2 )  3.82  2.02  1.15
  assign (resid  6 and  name HB1 )(resid  6 and  name HA  )  3.37  1.57  1.01
  assign (resid  6 and  name HB2 )(resid  6 and  name HB1 )  2.93  1.13  0.88
  assign (resid  6 and  name HB1 )(resid  6 and  name HD1 )  4.10  2.30  1.23
  assign (resid  6 and  name HB1 )(resid  6 and  name HD2 )  4.10  2.30  1.23
  assign (resid  6 and  name HB1 )(resid  6 and  name HG# )  3.29  1.49  0.99
  assign (resid  6 and  name HB2 )(resid  6 and  name HA  )  3.37  1.57  1.01
  assign (resid  6 and  name HB1 )(resid  6 and  name HB2 )  2.93  1.13  0.88
  assign (resid  6 and  name HB2 )(resid  6 and  name HD1 )  4.10  2.30  1.23
  assign (resid  6 and  name HB2 )(resid  6 and  name HD2 )  4.10  2.30  1.23
  assign (resid  6 and  name HB2 )(resid  6 and  name HG# )  3.29  1.49  0.99
  assign (resid  6 and  name HD1 )(resid  6 and  name HG1 )  3.04  1.24  0.91
  assign (resid  6 and  name HD1 )(resid  6 and  name HG2 )  3.04  1.24  0.91
  assign (resid  6 and  name HD2 )(resid  6 and  name HG1 )  3.04  1.24  0.91
  assign (resid  6 and  name HD2 )(resid  6 and  name HG2 )  3.04  1.24  0.91
  assign (resid  6 and  name HG1 )(resid  6 and  name HA  )  3.42  1.62  1.03
  assign (resid  6 and  name HG1 )(resid  6 and  name HB# )  3.19  1.39  0.96
  assign (resid  6 and  name HG1 )(resid  6 and  name HG2 )  2.68  0.88  0.81
  assign (resid  6 and  name HG2 )(resid  6 and  name HA  )  3.42  1.62  1.03
  assign (resid  6 and  name HG2 )(resid  6 and  name HB# )  3.19  1.39  0.96
  assign (resid  7 and  name HA  )(resid 16 and  name HA  )  4.16  2.36  1.25
  assign (resid  7 and  name HA  )(resid 7  and  name HD# )  3.42  1.62  1.03
  assign (resid  7 and  name HA  )(resid 7  and  name HG2#)  3.23  1.43  0.97
  assign (resid  7 and  name HA  )(resid 9  and  name HD# )  4.59  2.79  1.38
  assign (resid  7 and  name HA  )(resid 18 and  name HG2#)  4.11  2.31  1.23
  assign (resid  7 and  name HA  )(resid 16 and  name HE# )  4.43  2.63  1.33
  assign (resid  7 and  name HB  )(resid 16 and  name HB# )  4.27  2.47  1.28
  assign (resid  7 and  name HB  )(resid 7  and  name HA  )  3.40  1.60  1.02
  assign (resid  7 and  name HB  )(resid 7  and  name HD# )  3.71  1.91  1.11
  assign (resid  7 and  name HB  )(resid 7  and  name HG11)  3.28  1.48  0.98
  assign (resid  7 and  name HB  )(resid 7  and  name HG12)  3.28  1.48  0.98
  assign (resid  7 and  name HB  )(resid 16 and  name HE# )  4.10  2.30  1.23
  assign (resid  7 and  name HB  )(resid 9  and  name HD# )  4.52  2.72  1.36
  assign (resid  7 and  name HD# )(resid 16 and  name HE# )  3.65  1.85  1.09
  assign (resid  7 and  name HD# )(resid 16 and  name HD# )  4.06  2.26  1.22
  assign (resid  7 and  name HD# )(resid 16 and  name HA  )  4.57  2.77  1.37
  assign (resid  7 and  name HD# )(resid 18 and  name HG2#)  4.05  2.25  1.22
  assign (resid  7 and  name HG11)(resid 16 and  name HE# )  4.19  2.39  1.26
  assign (resid  7 and  name HG11)(resid 16 and  name HB# )  4.07  2.27  1.22
  assign (resid  7 and  name HG11)(resid 7  and  name HA  )  3.27  1.47  0.98
  assign (resid  7 and  name HG11)(resid 7  and  name HD# )  3.27  1.47  0.98
  assign (resid  7 and  name HG11)(resid 7  and  name HG12)  2.37  0.57  0.71
  assign (resid  7 and  name HG1#)(resid 7  and  name HG2#)  2.96  1.16  0.89
  assign (resid  7 and  name HG1#)(resid 16 and  name HD# )  4.25  2.45  1.28
  assign (resid  7 and  name HG12)(resid 16 and  name HE# )  4.19  2.39  1.26
  assign (resid  7 and  name HG12)(resid 16 and  name HB# )  4.07  2.27  1.22
  assign (resid  7 and  name HG12)(resid  7 and  name HA  )  3.27  1.47  0.98
  assign (resid  7 and  name HG12)(resid  7 and  name HD# )  3.27  1.47  0.98
  assign (resid  7 and  name HG12)(resid  7 and  name HG11)  2.37  0.57  0.71
  assign (resid  7 and  name HG2#)(resid  7 and  name HB  )  3.10  1.30  0.93
  assign (resid  7 and  name HG2#)(resid  7 and  name HD# )  3.51  1.71  1.05
  assign (resid  7 and  name HG2#)(resid  7 and  name HG1#)  3.06  1.26  0.92
  assign (resid  7 and  name HG2#)(resid 16 and  name HA  )  4.32  2.52  1.30
  assign (resid  7 and  name HG2#)(resid 16 and  name HE# )  3.86  2.06  1.16
  assign (resid  8 and  name HB1 )(resid 8  and  name HD2 )  4.11  2.31  1.23
  assign (resid  8 and  name HB1 )(resid 8  and  name HA  )  3.99  2.19  1.20
  assign (resid  8 and  name HB1 )(resid 8  and  name HB2 )  3.36  1.56  1.01
  assign (resid  8 and  name HB2 )(resid 8  and  name HD2 )  4.11  2.31  1.23
  assign (resid  8 and  name HB2 )(resid 8  and  name HA  )  3.99  2.19  1.20
  assign (resid  8 and  name HB2 )(resid 8  and  name HB1 )  3.36  1.56  1.01
  assign (resid  9 and  name HA  )(resid 10 and  name HA# )  4.42  2.62  1.33
  assign (resid  9 and  name HA  )(resid  9 and  name HB  )  3.44  1.64  1.03
  assign (resid  9 and  name HA  )(resid  9 and  name HG1#)  3.12  1.32  0.94
  assign (resid  9 and  name HB  )(resid  9 and  name HD# )  3.97  2.17  1.19
  assign (resid  9 and  name HB  )(resid  9 and  name HG2#)  3.48  1.68  1.04
  assign (resid  9 and  name HD# )(resid 8  and  name HA  )  3.78  1.98  1.13
  assign (resid  9 and  name HD# )(resid 9  and  name HA  )  3.50  1.70  1.05
  assign (resid  9 and  name HD# )(resid 16 and  name HB# )  3.91  2.11  1.17
  assign (resid  9 and  name HD# )(resid 15 and  name HB# )  3.93  2.13  1.18
  assign (resid  9 and  name HD# )(resid 16 and  name HA  )  4.51  2.71  1.35
  assign (resid  9 and  name HD# )(resid 9  and  name HB  )  3.31  1.51  0.99
  assign (resid  9 and  name HG11)(resid 9  and  name HB  )  3.61  1.81  1.08
  assign (resid  9 and  name HG11)(resid 9  and  name HD# )  3.46  1.66  1.04
  assign (resid  9 and  name HG12)(resid 9  and  name HD# )  3.47  1.67  1.04
  assign (resid  9 and  name HG12)(resid 9  and  name HA  )  3.24  1.44  0.97
  assign (resid  9 and  name HG12)(resid 9  and  name HB  )  3.61  1.81  1.08
  assign (resid  9 and  name HG11)(resid 9  and  name HG12)  2.60  0.80  0.78
  assign (resid  9 and  name HG2#)(resid  9 and  name HG1#)  3.37  1.57  1.01
  assign (resid  9 and  name HG2#)(resid 10 and  name HA1 )  4.34  2.54  1.30
  assign (resid  9 and  name HG2#)(resid 10 and  name HA2 )  4.34  2.54  1.30
  assign (resid  9 and  name HG2#)(resid 9  and  name HA  )  3.18  1.38  0.95
  assign (resid  9 and  name HG2#)(resid 9  and  name HD# )  3.53  1.73  1.06
  assign (resid 10 and  name HA# )(resid 15 and  name HE# )  4.60  2.80  1.38
  assign (resid 10 and  name HA1 )(resid 10 and  name HA2 )  3.21  1.41  0.96
  assign (resid 10 and  name HA1 )(resid 11 and  name HD# )  4.15  2.35  1.25
  assign (resid 10 and  name HA2 )(resid 13 and  name HD# )  3.79  1.99  1.14
  assign (resid 10 and  name HA2 )(resid 11 and  name HA  )  4.27  2.47  1.28
  assign (resid 10 and  name HA2 )(resid 11 and  name HD# )  4.15  2.35  1.25
  assign (resid 10 and  name HA1 )(resid 13 and  name HD# )  3.79  1.99  1.14
  assign (resid 10 and  name HA1 )(resid 11 and  name HA  )  4.27  2.47  1.28
  assign (resid 11 and  name HA  )(resid 13 and  name HD# )  2.91  1.11  0.87
  assign (resid 11 and  name HA  )(resid 13 and  name HG# )  3.99  2.19  1.20
  assign (resid 11 and  name HB1 )(resid 11 and  name HD# )  3.81  2.01  1.14
  assign (resid 11 and  name HB1 )(resid 11 and  name HA  )  3.44  1.64  1.03
  assign (resid 11 and  name HB1 )(resid 11 and  name HB2 )  3.37  1.57  1.01
  assign (resid 11 and  name HB1 )(resid 13 and  name HG# )  3.69  1.89  1.11
  assign (resid 11 and  name HB2 )(resid 11 and  name HD# )  3.81  2.01  1.14
  assign (resid 11 and  name HB# )(resid 13 and  name HD# )  3.67  1.87  1.10
  assign (resid 11 and  name HB2 )(resid 11 and  name HA  )  3.44  1.64  1.03
  assign (resid 11 and  name HB2 )(resid 13 and  name HG# )  3.69  1.89  1.11
  assign (resid 13 and  name HA  )(resid 13 and  name HG1 )  3.76  1.96  1.13
  assign (resid 13 and  name HA  )(resid 11 and  name HD# )  4.17  2.37  1.25
  assign (resid 13 and  name HA  )(resid 14 and  name HA  )  4.04  2.24  1.21
  assign (resid 13 and  name HA  )(resid 14 and  name HB# )  3.85  2.05  1.16
  assign (resid 13 and  name HA  )(resid 13 and  name HD# )  4.19  2.39  1.26
  assign (resid 13 and  name HA  )(resid 13 and  name HG2 )  3.76  1.96  1.13
  assign (resid 13 and  name HB1 )(resid 11 and  name HD# )  3.90  2.10  1.17
  assign (resid 13 and  name HB1 )(resid 13 and  name HA  )  4.01  2.21  1.20
  assign (resid 13 and  name HB1 )(resid 13 and  name HB2 )  3.51  1.71  1.05
  assign (resid 13 and  name HB1 )(resid 13 and  name HG# )  3.98  2.18  1.19
  assign (resid 13 and  name HB2 )(resid 11 and  name HD# )  3.90  2.10  1.17
  assign (resid 13 and  name HB2 )(resid 13 and  name HG# )  3.98  2.18  1.19
  assign (resid 13 and  name HB2 )(resid 13 and  name HA  )  4.01  2.21  1.20
  assign (resid 13 and  name HD1 )(resid 10 and  name HA# )  3.81  2.01  1.14
  assign (resid 13 and  name HD1 )(resid 13 and  name HD2 )  3.29  1.49  0.99
  assign (resid 13 and  name HD1 )(resid 13 and  name HG# )  3.73  1.93  1.12
  assign (resid 13 and  name HD2 )(resid 10 and  name HA# )  3.81  2.01  1.14
  assign (resid 13 and  name HD2 )(resid 13 and  name HG# )  3.73  1.93  1.12
  assign (resid 13 and  name HG1 )(resid 10 and  name HA# )  4.17  2.37  1.25
  assign (resid 13 and  name HG1 )(resid 13 and  name HG2 )  4.00  2.20  1.20
  assign (resid 13 and  name HG2 )(resid 10 and  name HA# )  4.17  2.37  1.25
  assign (resid 14 and  name HA  )(resid 14 and  name HB# )  2.68  0.88  0.80
  assign (resid 14 and  name HB# )(resid 16 and  name HD# )  4.31  2.51  1.29
  assign (resid 15 and  name HA  )(resid 15 and  name HD# )  3.71  1.91  1.11
  assign (resid 15 and  name HA  )(resid 15 and  name HE# )  4.37  2.57  1.31
  assign (resid 15 and  name HA  )(resid 14 and  name HA  )  3.66  1.86  1.10
  assign (resid 15 and  name HA  )(resid 14 and  name HB# )  4.19  2.39  1.26
  assign (resid 15 and  name HA  )(resid  9 and  name HG# )  4.54  2.74  1.36
  assign (resid 15 and  name HB# )(resid 14 and  name HB# )  4.76  2.96  1.43
  assign (resid 15 and  name HB# )(resid 15 and  name HA  )  2.99  1.19  0.90
  assign (resid 15 and  name HB# )(resid 15 and  name HD# )  3.93  2.13  1.18
  assign (resid 15 and  name HB# )(resid 15 and  name HE# )  4.60  2.80  1.38
  assign (resid 15 and  name HB# )(resid 15 and  name HZ# )  4.45  2.65  1.33
  assign (resid 15 and  name HB# )(resid  9 and  name HG2#)  4.98  3.18  1.49
  assign (resid 15 and  name HB# )(resid 17 and  name HG2#)  5.10  3.30  1.53
  assign (resid 16 and  name HA  )(resid 16 and  name HE# )  3.90  2.10  1.17
  assign (resid 16 and  name HA  )(resid 16 and  name HD# )  3.45  1.65  1.04
  assign (resid 16 and  name HA  )(resid 17 and  name HG2#)  4.30  2.50  1.29
  assign (resid 16 and  name HA  )(resid 7  and  name HG1#)  4.17  2.37  1.25
  assign (resid 16 and  name HA  )(resid 7  and  name HB  )  4.37  2.57  1.31
  assign (resid 16 and  name HA  )(resid 16 and  name HB1 )  2.69  0.89  0.81
  assign (resid 16 and  name HA  )(resid 16 and  name HB2 )  2.69  0.89  0.81
  assign (resid 16 and  name HB1 )(resid 16 and  name HD# )  3.64  1.84  1.09
  assign (resid 16 and  name HB1 )(resid 16 and  name HE# )  4.06  2.26  1.22
  assign (resid 16 and  name HB1 )(resid 16 and  name HA  )  2.91  1.11  0.87
  assign (resid 16 and  name HB2 )(resid 16 and  name HD# )  3.64  1.84  1.09
  assign (resid 16 and  name HB2 )(resid 16 and  name HE# )  4.06  2.26  1.22
  assign (resid 16 and  name HB2 )(resid 16 and  name HA  )  2.91  1.11  0.87
  assign (resid 17 and  name HA  )(resid 16 and  name HE# )  4.00  2.20  1.20
  assign (resid 17 and  name HA  )(resid 17 and  name HG2#)  2.89  1.09  0.87
  assign (resid 17 and  name HA  )(resid 16 and  name HA  )  4.00  2.20  1.20
  assign (resid 17 and  name HA  )(resid 16 and  name HB1 )  4.56  2.76  1.37
  assign (resid 17 and  name HA  )(resid 16 and  name HB2 )  4.56  2.76  1.37
  assign (resid 17 and  name HB  )(resid 17 and  name HA  )  2.21  0.41  0.66
  assign (resid 17 and  name HB  )(resid 17 and  name HG2#)  2.65  0.85  0.79
  assign (resid 17 and  name HG2#)(resid 17 and  name HB  )  2.52  0.72  0.76
  assign (resid 17 and  name HG2#)(resid 16 and  name HA# )  3.77  1.97  1.13
  assign (resid 18 and  name HA  )(resid 7 and  name HG11  )  4.46  2.66  1.34
  assign (resid 18 and  name HA  )(resid 7 and  name HG1#  )  3.99  2.19  1.20
  assign (resid 18 and  name HA  )(resid 7 and  name HG12  )  4.46  2.66  1.34
  assign (resid 18 and  name HA  )(resid 5 and  name HG2   )  4.14  2.34  1.2
  assign (resid 18 and  name HB  )(resid 5  and  name HG1  )  4.23  2.43  1.27
  assign (resid 18 and  name HB  )(resid 5  and  name HG2  )  4.23  2.43  1.27
  assign (resid 18 and  name HB  )(resid 5  and  name HD#  )  3.97  2.17  1.19
  assign (resid 18 and  name HB  )(resid 5  and  name HB#  )  4.11  2.31  1.23
  assign (resid 18 and  name HB  )(resid 18 and  name HA   )  2.27  0.47  0.68
  assign (resid 18 and  name HG2#)(resid  5 and  name HE1  )  3.92  2.12  1.18
  assign (resid 18 and  name HG2#)(resid  5 and  name HE2  )  3.92  2.12  1.18
  assign (resid 18 and  name HG2#)(resid 16 and  name HD#  )  4.35  2.55  1.30
  assign (resid 18 and  name HG2#)(resid 16 and  name HE#  )  4.00  2.20  1.20

!! 15N NOESY constraints
  assign (resid 5  and  name HN)(resid 5  and  name HD2  ) 4.41  2.61  1.32
  assign (resid 5  and  name HN)(resid 5  and  name HD1  ) 4.41  2.61  1.32
  assign (resid 5  and  name HN)(resid 5  and  name HA   ) 2.32  0.52  0.70
  assign (resid 5  and  name HN)(resid 5  and  name HB#  ) 2.52  0.72  0.75
  assign (resid 5  and  name HN)(resid 5  and  name HG#  ) 2.80  1.00  0.84
  assign (resid 6  and  name HN)(resid 7  and  name HD#  ) 4.87  3.07  1.46
  assign (resid 6  and  name HN)(resid 6  and  name HD#  ) 4.08  2.28  1.22
  assign (resid 6  and  name HN)(resid 5  and  name HA   ) 2.41  0.61  0.72
  assign (resid 6  and  name HN)(resid 18 and  name HA   ) 3.68  1.88  1.10
  assign (resid 6  and  name HN)(resid 7  and  name HN   ) 3.91  2.11  1.17
  assign (resid 6  and  name HN)(resid 6  and  name HA   ) 3.48  1.68  1.04
  assign (resid 6  and  name HN)(resid 6  and  name HB2  ) 3.35  1.55  1.01
  assign (resid 6  and  name HN)(resid 6  and  name HB1  ) 3.35  1.55  1.01
  assign (resid 7  and  name HN)(resid 8  and  name HN  ) 4.35  2.55  1.31
  assign (resid 7  and  name HN)(resid 6  and  name HA  ) 2.51  0.71  0.75
  assign (resid 7  and  name HN)(resid 7  and  name HA  ) 3.39  1.59  1.02
  assign (resid 7  and  name HN)(resid 6  and  name HB#  ) 3.43  1.63  1.03
  assign (resid 7  and  name HN)(resid 7  and  name HB  ) 2.88  1.08  0.86
  assign (resid 7  and  name HN)(resid 7  and  name HG1# ) 3.29  1.49  0.99
  assign (resid 7  and  name HN)(resid 7  and  name HG2# ) 4.07  2.27  1.22
  assign (resid 7  and  name HN)(resid 7  and  name HD#  ) 4.12  2.32  1.24
  assign (resid 8  and  name HN)(resid 8  and  name HD2  ) 3.42  1.62  1.02
  assign (resid 8  and  name HN)(resid 8  and  name HA  ) 3.64  1.84  1.09
  assign (resid 8  and  name HN)(resid 16 and  name HA   ) 3.78  1.98  1.13
  assign (resid 8  and  name HN)(resid 7  and  name HA  ) 2.50  0.70  0.75
  assign (resid 8  and  name HN)(resid 8  and  name HB1  ) 3.18  1.38  0.95
  assign (resid 8  and  name HN)(resid 8  and  name HB2  ) 3.45  1.65  1.40
  assign (resid 8  and  name HN)(resid 7  and  name HG1# ) 3.70  1.90  1.11
  assign (resid 8  and  name HN)(resid 7  and  name HG2# ) 3.55  1.75  1.06
  assign (resid 8  and  name HN)(resid 7  and  name HD#  ) 4.29  2.49  1.29
  assign (resid 8  and  name HN)(resid 9  and  name HA   ) 4.64  2.84  1.39
  assign (resid 9  and  name HN)(resid 8  and  name HA  ) 3.02  1.22  0.91
  assign (resid 9  and  name HN)(resid 9  and  name HB  ) 3.34  1.54  1.00
  assign (resid 9  and  name HN)(resid 8  and  name HB1  ) 4.23  2.43  1.27
  assign (resid 9  and  name HN)(resid 8  and  name HB2  ) 4.23  2.43  1.27
  assign (resid 9  and  name HN)(resid 9  and  name HG1# ) 3.78  1.98  1.13
  assign (resid 9  and  name HN)(resid 9  and  name HD#  ) 4.48  2.68  1.34
  assign (resid 9  and  name HN)(resid 9  and  name HA  ) 3.99  2.19  1.20
  assign (resid 9  and  name HN)(resid 9  and  name HG1# ) 3.61  1.81  1.08
  assign (resid 10 and  name HN)(resid 9  and  name HG1# ) 3.65  1.85  1.10
  assign (resid 10 and  name HN)(resid 9  and  name  HA  ) 2.76  0.96  0.83
  assign (resid 10 and  name HN)(resid 15 and  name  HN  ) 4.38  2.58  1.31
  assign (resid 10 and  name HN)(resid 13 and  name HG2# ) 3.76  1.96  1.13
  assign (resid 10 and  name HN)(resid 9 and  name  HD1# ) 4.37  2.57  1.31
  assign (resid 10 and  name HN)(resid 10 and  name HA2  ) 3.88  2.08  1.16
  assign (resid 10 and  name HN)(resid 10 and  name HA1  ) 3.88  2.08  1.16
  assign (resid 10 and  name HN)(resid 11 and  name HD#  ) 4.36  2.56  1.31
  assign (resid 10 and  name HN)(resid 13 and  name HN   ) 4.23  2.43  1.27
  assign (resid 12 and  name HN)(resid 11 and  name HA  )  2.72  0.92  0.82
  assign (resid 12 and  name HN)(resid 12 and  name HA1 )  3.27  1.47  0.98
  assign (resid 12 and  name HN)(resid 12 and  name HA2 )  3.27  1.47  0.98
  assign (resid 12 and  name HN)(resid 11 and  name HB2 )  3.76  1.96  1.13
  assign (resid 12 and  name HN)(resid 11 and  name HB1 )  3.76  1.96  1.13
  assign (resid 13 and  name HN)(resid 12 and  name HA1 )  3.87  2.07  1.16
  assign (resid 13 and  name HN)(resid 12 and  name HA2 )  3.87  2.07  1.16
  assign (resid 13 and  name HN)(resid 11 and  name HA  )  3.73  1.93  1.12
  assign (resid 13 and  name HN)(resid 13 and  name HB2 )  3.30  1.50  0.99
  assign (resid 13 and  name HN)(resid 13 and  name HB1 )  3.30  1.50  0.99
  assign (resid 13 and  name HN)(resid 13 and  name HA  )  3.34  1.54  1.00
  assign (resid 13 and  name HN)(resid 14 and  name HN  )  3.31  1.51  0.99
  assign (resid 13 and  name HN)(resid 12 and  name HN  )  3.47  1.67  1.04
  assign (resid 13 and  name HN)(resid 14 and  name HA  )  4.35  2.55  1.31
  assign (resid 14 and  name HN)(resid 12 and  name HA# )  4.24  2.44  1.27
  assign (resid 14 and  name HN)(resid 13 and  name HA  )  2.91  1.11  0.87
  assign (resid 14 and  name HN)(resid 14 and  name HA  )  2.74  0.94  0.82
  assign (resid 14 and  name HN)(resid 12 and  name HN  )  4.22  2.42  1.27
  assign (resid 14 and  name HN)(resid 14 and  name HB# )  2.83  1.03  0.85
  assign (resid 14 and  name HN)(resid 13 and  name HB# )  3.25  1.45  0.97
  assign (resid 15 and  name HN)(resid 14 and  name HA  )  2.44  0.64  0.73
  assign (resid 15 and  name HN)(resid 15 and  name HA  )  2.63  0.83  0.79
  assign (resid 15 and  name HN)(resid 15 and  name HD# )  3.93  2.13  1.18
  assign (resid 15 and  name HN)(resid 16 and  name HN  )  4.00  2.20  1.20  
  assign (resid 15 and  name HN)(resid 14 and  name HB* )  3.15  1.35  0.95
  assign (resid 15 and  name HN)(resid 15 and  name HB# )  2.94  1.14  0.88
  assign (resid 16 and  name HN)(resid 7  and  name HG2# ) 4.79  2.99  1.44
  assign (resid 16 and  name HN)(resid 15 and  name HA  ) 2.38  0.58  0.71
  assign (resid 16 and  name HN)(resid 14 and  name HA#  ) 3.59  1.79  1.08
  assign (resid 16 and  name HN)(resid 16 and  name HD#  ) 3.70  1.90  1.11
  assign (resid 16 and  name HN)(resid 15 and  name HD#  ) 4.33  2.53  1.30
  assign (resid 16 and  name HN)(resid 16 and  name HB1  ) 2.68  0.88  0.80
  assign (resid 16 and  name HN)(resid 16 and  name HB2  ) 2.68  0.88  0.80
  assign (resid 16 and  name HN)(resid 14 and  name HB#  ) 3.94  2.14  1.18
  assign (resid 17 and  name HN)(resid  7 and  name HA  ) 2.91  1.11  0.87
  assign (resid 17 and  name HN)(resid 17 and  name HA  ) 3.02  1.22  0.91
  assign (resid 17 and  name HN)(resid 16 and  name HD#  ) 4.27  2.47  1.28
  assign (resid 17 and  name HN)(resid 16 and  name HN  ) 4.00  2.20  1.20
  assign (resid 17 and  name HN)(resid  5 and  name HG#  ) 3.85  2.05  1.16
  assign (resid 17 and  name HN)(resid 16 and  name HB#  ) 3.12  1.32  0.94
  assign (resid 17 and  name HN)(resid 17 and  name HG2# ) 3.40  1.60  1.02
  assign (resid 17 and  name HN)(resid 16 and  name HA  ) 2.20  0.40  0.66
  assign (resid 17 and  name HN)(resid  6 and  name HN  ) 4.00  2.20  1.20      
  assign (resid 18 and  name HN)(resid 5  and  name HG#  ) 3.82  2.02  1.15
  assign (resid 18 and  name HN)(resid 5  and  name HD#  ) 4.39  2.59  1.32
  assign (resid 18 and  name HN)(resid 18 and  name HA   ) 2.45  0.65  0.73
  assign (resid 18 and  name HN)(resid 16 and  name HE#  ) 4.99  3.19  1.50
  assign (resid 18 and  name HN)(resid 16 and  name HD#  ) 5.02  3.22  1.51
  assign (resid 18 and  name HN)(resid 18 and  name HG2# ) 3.18  1.38  0.95
  assign (resid 18 and  name HN)(resid  5 and  name HE#  ) 3.77  1.97  1.13

!!HBONDS
assign (resid  6 and name HN)(resid 17 and name O) 2.05 0.25 0.25 
assign (resid 6  and name  N)(resid 17 and name O)  2.9  0.4  0.4 
assign (resid 17 and name HN)(resid  6 and name O) 2.05 0.25 0.25 
assign (resid 17 and name  N)(resid  6 and name O)  2.9  0.4  0.4
 
!! PHI
assign (resid 6 and name C)(resid 7 and name N)
       (resid 7 and name CA)(resid 7 and name C) 1 -120 30 2
assign (resid 7 and name C)(resid 8 and name N)
       (resid 8 and name CA)(resid 8 and name C) 1 -120 30 2
assign (resid 8 and name C)(resid 9 and name N)
       (resid 9 and name CA)(resid 9 and name C) 1 -120 30 2
assign (resid 13 and name C)(resid 14 and name N)
       (resid 14 and name CA)(resid 14 and name C) 1 -65 25 2
assign (resid 15 and name C)(resid 16 and name N)
       (resid 16 and name CA)(resid 16 and name C) 1 -120 30 2
assign (resid 16 and name C)(resid 17 and name N)
       (resid 17 and name CA)(resid 17 and name C) 1 -120 30 2
assign (resid 17 and name C)(resid 18 and name N)
       (resid 18 and name CA)(resid 18 and name C) 1 -120 30 2

!!Psi according to TALOS
 assign (resid  7 and name n ) (resid  7 and name ca) 
        (resid  7 and name c ) (resid  8 and name n )   1.0  123.0 11.0 2
 assign (resid  8 and name n ) (resid  8 and name ca) 
        (resid  8 and name c ) (resid  9 and name n )   1.0  121.0  7.0 2
 assign (resid  9 and name n ) (resid  9 and name ca) 
        (resid  9 and name c ) (resid 10 and name n )   1.0  123.0 19.0 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ARG   4          HT1       ARG   4   5.210  -5.332  -7.080
    2   2H    ARG   4          HT2       ARG   4   5.862  -6.846  -7.557
    3   3H    ARG   4          HT3       ARG   4   6.894  -5.617  -6.948
    4    HA   ARG   4           HA       ARG   4   4.978  -7.320  -5.549
    5   1HB   ARG   4          HB2       ARG   4   7.772  -6.406  -4.850
    6   2HB   ARG   4          HB1       ARG   4   6.871  -7.729  -4.125
    7   1HG   ARG   4          HG2       ARG   4   7.536  -7.766  -7.038
    8   2HG   ARG   4          HG1       ARG   4   8.727  -8.257  -5.832
    9   1HD   ARG   4          HD2       ARG   4   7.359 -10.022  -5.061
   10   2HD   ARG   4          HD1       ARG   4   5.951  -9.408  -5.926
   11    HE   ARG   4           HE       ARG   4   8.078 -11.030  -6.991
   12   1HH1  ARG   4          HH11      ARG   4   5.513  -8.790  -7.755
   13   2HH1  ARG   4          HH12      ARG   4   5.359  -9.330  -9.392
   14   1HH2  ARG   4          HH21      ARG   4   7.876 -11.742  -9.144
   15   2HH2  ARG   4          HH22      ARG   4   6.700 -11.007 -10.181
   16    H    LYS   5           HN       LYS   5   6.589  -4.174  -5.442
   17    HA   LYS   5           HA       LYS   5   5.597  -3.460  -2.867
   18   1HB   LYS   5          HB2       LYS   5   7.450  -2.413  -4.685
   19   2HB   LYS   5          HB1       LYS   5   6.203  -1.181  -4.547
   20   1HG   LYS   5          HG2       LYS   5   7.184  -2.372  -2.030
   21   2HG   LYS   5          HG1       LYS   5   8.297  -1.323  -2.912
   22   1HD   LYS   5          HD2       LYS   5   5.730  -0.088  -2.873
   23   2HD   LYS   5          HD1       LYS   5   6.127  -0.590  -1.231
   24   1HE   LYS   5          HE2       LYS   5   7.537   1.344  -3.019
   25   2HE   LYS   5          HE1       LYS   5   7.037   1.532  -1.341
   26   1HZ   LYS   5          HZ1       LYS   5   9.177   1.137  -0.902
   27   2HZ   LYS   5          HZ2       LYS   5   9.484   0.459  -2.421
   28   3HZ   LYS   5          HZ3       LYS   5   8.811  -0.489  -1.193
   29    H    ARG   6           HN       ARG   6   3.860  -2.192  -2.299
   30    HA   ARG   6           HA       ARG   6   2.117  -1.145  -4.382
   31   1HB   ARG   6          HB2       ARG   6   1.236  -3.246  -2.396
   32   2HB   ARG   6          HB1       ARG   6   0.118  -2.256  -3.337
   33   1HG   ARG   6          HG2       ARG   6   1.697  -3.234  -5.303
   34   2HG   ARG   6          HG1       ARG   6   1.748  -4.566  -4.142
   35   1HD   ARG   6          HD2       ARG   6  -0.904  -3.926  -4.144
   36   2HD   ARG   6          HD1       ARG   6  -0.457  -3.599  -5.818
   37    HE   ARG   6           HE       ARG   6  -0.179  -5.851  -6.157
   38   1HH1  ARG   6          HH11      ARG   6  -0.400  -5.230  -2.729
   39   2HH1  ARG   6          HH12      ARG   6  -0.510  -6.904  -2.307
   40   1HH2  ARG   6          HH21      ARG   6  -0.324  -8.054  -5.601
   41   2HH2  ARG   6          HH22      ARG   6  -0.466  -8.509  -3.936
   42    H    ILE   7           HN       ILE   7   1.184   0.716  -3.788
   43    HA   ILE   7           HA       ILE   7   0.866   1.319  -0.940
   44    HB   ILE   7           HB       ILE   7   2.118   3.301  -2.836
   45   1HG1  ILE   7          HG12      ILE   7   4.072   2.724  -1.023
   46   2HG1  ILE   7          HG11      ILE   7   3.322   1.137  -1.229
   47   1HG2  ILE   7          HG21      ILE   7   1.289   3.319   0.007
   48   2HG2  ILE   7          HG22      ILE   7   1.254   4.610  -1.194
   49   3HG2  ILE   7          HG23      ILE   7   2.774   4.173  -0.412
   50   1HD1  ILE   7          HD11      ILE   7   4.062   0.921  -3.350
   51   2HD1  ILE   7          HD12      ILE   7   5.306   2.024  -2.764
   52   3HD1  ILE   7          HD13      ILE   7   3.941   2.646  -3.691
   53    H    HIS   8           HN       HIS   8  -1.238   1.711  -0.738
   54    HA   HIS   8           HA       HIS   8  -2.478   3.715  -2.451
   55   1HB   HIS   8          HB2       HIS   8  -4.033   1.197  -1.959
   56   2HB   HIS   8          HB1       HIS   8  -4.245   2.414  -3.221
   57    HD1  HIS   8           HD1      HIS   8  -3.078  -0.919  -2.778
   58    HD2  HIS   8           HD2      HIS   8  -1.875   2.308  -5.102
   59    HE1  HIS   8           HE1      HIS   8  -1.682  -1.903  -4.622
   60    HE2  HIS   8           HE2      HIS   8  -1.041   0.059  -6.068
   61    H    ILE   9           HN       ILE   9  -3.620   5.092  -1.253
   62    HA   ILE   9           HA       ILE   9  -4.680   4.157   1.332
   63    HB   ILE   9           HB       ILE   9  -3.521   6.902   0.855
   64   1HG1  ILE   9          HG12      ILE   9  -1.792   5.112   0.758
   65   2HG1  ILE   9          HG11      ILE   9  -1.586   6.198   2.133
   66   1HG2  ILE   9          HG21      ILE   9  -4.738   5.507   3.202
   67   2HG2  ILE   9          HG22      ILE   9  -5.031   7.134   2.589
   68   3HG2  ILE   9          HG23      ILE   9  -3.535   6.773   3.450
   69   1HD1  ILE   9          HD11      ILE   9  -2.685   4.511   3.566
   70   2HD1  ILE   9          HD12      ILE   9  -1.187   3.942   2.831
   71   3HD1  ILE   9          HD13      ILE   9  -2.742   3.421   2.181
   72    H    GLY  10           HN       GLY  10  -6.817   4.251   1.293
   73   1HA   GLY  10          HA2       GLY  10  -8.092   6.530  -0.094
   74   2HA   GLY  10          HA1       GLY  10  -8.752   4.898  -0.155
   75    HA   PRO  11           HA       PRO  11 -10.987   6.910   3.290
   76   1HB   PRO  11          HB2       PRO  11 -13.325   5.606   2.913
   77   2HB   PRO  11          HB1       PRO  11 -12.869   7.033   1.973
   78   1HG   PRO  11          HG2       PRO  11 -12.749   4.150   1.215
   79   2HG   PRO  11          HG1       PRO  11 -13.221   5.549   0.238
   80   1HD   PRO  11          HD2       PRO  11 -10.757   4.353   0.108
   81   2HD   PRO  11          HD1       PRO  11 -11.058   6.052  -0.308
   82    H    GLY  12           HN       GLY  12  -9.194   5.335   4.202
   83   1HA   GLY  12          HA2       GLY  12  -8.973   4.031   6.147
   84   2HA   GLY  12          HA1       GLY  12 -10.621   3.459   5.922
   85    H    ARG  13           HN       ARG  13  -8.526   3.439   3.190
   86    HA   ARG  13           HA       ARG  13  -8.289   0.515   3.416
   87   1HB   ARG  13          HB2       ARG  13  -7.868   1.377   0.724
   88   2HB   ARG  13          HB1       ARG  13  -9.143   0.345   1.361
   89   1HG   ARG  13          HG2       ARG  13  -9.258   3.357   1.372
   90   2HG   ARG  13          HG1       ARG  13  -9.939   2.340   0.097
   91   1HD   ARG  13          HD2       ARG  13 -10.690   1.779   2.923
   92   2HD   ARG  13          HD1       ARG  13 -11.398   3.183   2.124
   93    HE   ARG  13           HE       ARG  13 -12.560   1.769   0.692
   94   1HH1  ARG  13          HH11      ARG  13 -10.447  -0.068   2.785
   95   2HH1  ARG  13          HH12      ARG  13 -11.204  -1.581   2.422
   96   1HH2  ARG  13          HH21      ARG  13 -13.549  -0.222   0.219
   97   2HH2  ARG  13          HH22      ARG  13 -12.962  -1.670   0.966
   98    H    ALA  14           HN       ALA  14  -6.304   0.679   4.561
   99    HA   ALA  14           HA       ALA  14  -4.060   2.050   3.407
  100   1HB   ALA  14          HB1       ALA  14  -4.283   1.795   5.831
  101   2HB   ALA  14          HB2       ALA  14  -2.778   1.087   5.241
  102   3HB   ALA  14          HB3       ALA  14  -4.138   0.045   5.658
  103    H    PHE  15           HN       PHE  15  -2.583   1.293   2.026
  104    HA   PHE  15           HA       PHE  15  -2.276  -1.592   1.666
  105   1HB   PHE  15          HB2       PHE  15  -2.981   0.356  -0.530
  106   2HB   PHE  15          HB1       PHE  15  -2.292  -1.234  -0.844
  107    HD1  PHE  15           HD1      PHE  15  -5.267   0.592  -0.488
  108    HD2  PHE  15           HD2      PHE  15  -3.566  -3.235   0.270
  109    HE1  PHE  15           HE1      PHE  15  -7.522  -0.391  -0.417
  110    HE2  PHE  15           HE2      PHE  15  -5.817  -4.225   0.342
  111    HZ   PHE  15           HZ       PHE  15  -7.798  -2.803  -0.001
  112    H    TYR  16           HN       TYR  16  -0.594   0.314   2.929
  113    HA   TYR  16           HA       TYR  16   1.561   0.864   1.053
  114   1HB   TYR  16          HB2       TYR  16   0.916   2.539   2.770
  115   2HB   TYR  16          HB1       TYR  16   1.402   1.406   4.026
  116    HD1  TYR  16           HD1      TYR  16   2.520   3.853   1.608
  117    HD2  TYR  16           HD2      TYR  16   3.803   0.786   4.260
  118    HE1  TYR  16           HE1      TYR  16   4.817   4.724   1.492
  119    HE2  TYR  16           HE2      TYR  16   6.105   1.647   4.153
  120    HH   TYR  16           HH       TYR  16   6.867   4.683   2.760
  121    H    THR  17           HN       THR  17   2.952  -0.708   0.590
  122    HA   THR  17           HA       THR  17   4.116  -2.262   2.759
  123    HB   THR  17           HB       THR  17   2.277  -3.673   2.056
  124    HG1  THR  17           HG1      THR  17   4.325  -4.669   2.467
  125   1HG2  THR  17          HG21      THR  17   2.892  -2.726  -0.558
  126   2HG2  THR  17          HG22      THR  17   1.518  -3.687  -0.014
  127   3HG2  THR  17          HG23      THR  17   3.002  -4.486  -0.533
  128    H    THR  18           HN       THR  18   6.185  -1.711   2.512
  129    HA   THR  18           HA       THR  18   7.334  -1.712  -0.193
  130    HB   THR  18           HB       THR  18   9.097  -0.291   0.689
  131    HG1  THR  18           HG1      THR  18   9.501  -0.437   2.728
  132   1HG2  THR  18          HG21      THR  18   6.936   1.163   1.972
  133   2HG2  THR  18          HG22      THR  18   6.506   0.543   0.378
  134   3HG2  THR  18          HG23      THR  18   7.916   1.587   0.569
  135    H    LYS  19           HN       LYS  19   8.585  -2.286   3.097
  136    HA   LYS  19           HA       LYS  19   9.983  -3.872   3.936
  137   1HB   LYS  19          HB2       LYS  19   8.524  -5.455   1.832
  138   2HB   LYS  19          HB1       LYS  19   9.744  -6.192   2.861
  139   1HG   LYS  19          HG2       LYS  19   7.435  -4.694   4.038
  140   2HG   LYS  19          HG1       LYS  19   7.278  -6.381   3.544
  141   1HD   LYS  19          HD2       LYS  19   8.475  -7.126   5.293
  142   2HD   LYS  19          HD1       LYS  19   9.658  -5.825   5.157
  143   1HE   LYS  19          HE2       LYS  19   7.161  -4.739   6.028
  144   2HE   LYS  19          HE1       LYS  19   7.583  -6.112   7.051
  145   1HZ   LYS  19          HZ1       LYS  19   9.584  -4.035   6.435
  146   2HZ   LYS  19          HZ2       LYS  19   9.526  -5.101   7.747
  147   3HZ   LYS  19          HZ3       LYS  19   8.453  -3.795   7.672
  Start of MODEL    2
    1   1H    ARG   4          HT1       ARG   4   7.947  -6.294  -4.039
    2   2H    ARG   4          HT2       ARG   4   7.866  -7.668  -5.064
    3   3H    ARG   4          HT3       ARG   4   6.884  -7.584  -3.658
    4    HA   ARG   4           HA       ARG   4   6.670  -6.083  -6.165
    5   1HB   ARG   4          HB2       ARG   4   4.508  -7.442  -4.578
    6   2HB   ARG   4          HB1       ARG   4   4.549  -7.082  -6.297
    7   1HG   ARG   4          HG2       ARG   4   6.173  -9.179  -4.873
    8   2HG   ARG   4          HG1       ARG   4   4.787  -9.456  -5.927
    9   1HD   ARG   4          HD2       ARG   4   6.007  -9.213  -7.795
   10   2HD   ARG   4          HD1       ARG   4   6.915  -7.851  -7.138
   11    HE   ARG   4           HE       ARG   4   8.594  -9.304  -6.647
   12   1HH1  ARG   4          HH11      ARG   4   5.624 -11.123  -6.863
   13   2HH1  ARG   4          HH12      ARG   4   6.398 -12.654  -6.638
   14   1HH2  ARG   4          HH21      ARG   4   9.615 -11.318  -6.350
   15   2HH2  ARG   4          HH22      ARG   4   8.664 -12.766  -6.346
   16    H    LYS   5           HN       LYS   5   7.166  -4.022  -5.243
   17    HA   LYS   5           HA       LYS   5   5.815  -2.987  -2.978
   18   1HB   LYS   5          HB2       LYS   5   7.929  -2.168  -4.551
   19   2HB   LYS   5          HB1       LYS   5   6.682  -0.988  -4.930
   20   1HG   LYS   5          HG2       LYS   5   6.410  -0.791  -2.374
   21   2HG   LYS   5          HG1       LYS   5   7.991  -1.570  -2.308
   22   1HD   LYS   5          HD2       LYS   5   8.907   0.437  -2.600
   23   2HD   LYS   5          HD1       LYS   5   8.241   0.439  -4.234
   24   1HE   LYS   5          HE2       LYS   5   6.199   1.486  -3.406
   25   2HE   LYS   5          HE1       LYS   5   6.840   1.457  -1.764
   26   1HZ   LYS   5          HZ1       LYS   5   7.509   3.215  -3.988
   27   2HZ   LYS   5          HZ2       LYS   5   8.790   2.750  -2.986
   28   3HZ   LYS   5          HZ3       LYS   5   7.448   3.541  -2.328
   29    H    ARG   6           HN       ARG   6   3.942  -1.897  -2.772
   30    HA   ARG   6           HA       ARG   6   2.547  -0.889  -5.103
   31   1HB   ARG   6          HB2       ARG   6   1.708  -3.327  -3.621
   32   2HB   ARG   6          HB1       ARG   6   0.440  -2.187  -4.079
   33   1HG   ARG   6          HG2       ARG   6   2.255  -2.726  -6.273
   34   2HG   ARG   6          HG1       ARG   6   1.506  -4.200  -5.649
   35   1HD   ARG   6          HD2       ARG   6   0.254  -3.019  -7.497
   36   2HD   ARG   6          HD1       ARG   6  -0.672  -3.369  -6.037
   37    HE   ARG   6           HE       ARG   6  -0.950  -1.125  -5.736
   38   1HH1  ARG   6          HH11      ARG   6   1.733  -1.624  -7.909
   39   2HH1  ARG   6          HH12      ARG   6   1.928   0.061  -8.257
   40   1HH2  ARG   6          HH21      ARG   6  -0.697   1.092  -6.191
   41   2HH2  ARG   6          HH22      ARG   6   0.547   1.605  -7.282
   42    H    ILE   7           HN       ILE   7   1.895   1.068  -4.536
   43    HA   ILE   7           HA       ILE   7   1.137   1.545  -1.728
   44    HB   ILE   7           HB       ILE   7   1.869   3.744  -3.633
   45   1HG1  ILE   7          HG12      ILE   7   4.187   3.509  -2.387
   46   2HG1  ILE   7          HG11      ILE   7   3.696   1.818  -2.248
   47   1HG2  ILE   7          HG21      ILE   7   1.347   3.447  -0.774
   48   2HG2  ILE   7          HG22      ILE   7   1.230   4.870  -1.809
   49   3HG2  ILE   7          HG23      ILE   7   2.792   4.389  -1.144
   50   1HD1  ILE   7          HD11      ILE   7   3.315   2.795  -4.932
   51   2HD1  ILE   7          HD12      ILE   7   4.252   1.418  -4.353
   52   3HD1  ILE   7          HD13      ILE   7   4.978   3.025  -4.392
   53    H    HIS   8           HN       HIS   8  -0.995   1.585  -1.484
   54    HA   HIS   8           HA       HIS   8  -2.584   3.331  -3.169
   55   1HB   HIS   8          HB2       HIS   8  -4.344   1.455  -3.374
   56   2HB   HIS   8          HB1       HIS   8  -2.949   1.405  -4.456
   57    HD1  HIS   8           HD1      HIS   8  -1.027  -0.336  -3.749
   58    HD2  HIS   8           HD2      HIS   8  -4.693  -0.778  -1.843
   59    HE1  HIS   8           HE1      HIS   8  -0.995  -2.646  -2.758
   60    HE2  HIS   8           HE2      HIS   8  -3.271  -2.934  -1.717
   61    H    ILE   9           HN       ILE   9  -3.582   4.587  -1.748
   62    HA   ILE   9           HA       ILE   9  -4.672   3.348   0.696
   63    HB   ILE   9           HB       ILE   9  -3.768   6.216   0.450
   64   1HG1  ILE   9          HG12      ILE   9  -1.990   5.165   2.160
   65   2HG1  ILE   9          HG11      ILE   9  -2.291   3.735   1.171
   66   1HG2  ILE   9          HG21      ILE   9  -3.928   6.185   2.902
   67   2HG2  ILE   9          HG22      ILE   9  -4.533   4.530   2.829
   68   3HG2  ILE   9          HG23      ILE   9  -5.477   5.844   2.129
   69   1HD1  ILE   9          HD11      ILE   9  -0.374   5.407   0.577
   70   2HD1  ILE   9          HD12      ILE   9  -1.684   6.315  -0.179
   71   3HD1  ILE   9          HD13      ILE   9  -1.345   4.661  -0.692
   72    H    GLY  10           HN       GLY  10  -6.735   3.874   1.306
   73   1HA   GLY  10          HA2       GLY  10  -8.204   5.767  -0.411
   74   2HA   GLY  10          HA1       GLY  10  -8.839   4.150  -0.128
   75    HA   PRO  11           HA       PRO  11 -10.922   6.763   3.017
   76   1HB   PRO  11          HB2       PRO  11 -12.787   4.473   3.001
   77   2HB   PRO  11          HB1       PRO  11 -13.117   6.195   2.776
   78   1HG   PRO  11          HG2       PRO  11 -13.249   4.469   0.731
   79   2HG   PRO  11          HG1       PRO  11 -12.650   6.124   0.513
   80   1HD   PRO  11          HD2       PRO  11 -11.110   3.565   0.751
   81   2HD   PRO  11          HD1       PRO  11 -10.840   4.946  -0.334
   82    H    GLY  12           HN       GLY  12  -8.838   5.881   4.125
   83   1HA   GLY  12          HA2       GLY  12  -8.032   5.084   6.133
   84   2HA   GLY  12          HA1       GLY  12  -9.670   4.589   6.538
   85    H    ARG  13           HN       ARG  13  -8.183   3.529   3.584
   86    HA   ARG  13           HA       ARG  13  -8.119   0.798   4.657
   87   1HB   ARG  13          HB2       ARG  13  -7.754   0.921   1.790
   88   2HB   ARG  13          HB1       ARG  13  -9.000   0.100   2.721
   89   1HG   ARG  13          HG2       ARG  13  -9.097   3.028   2.027
   90   2HG   ARG  13          HG1       ARG  13  -9.828   1.758   1.044
   91   1HD   ARG  13          HD2       ARG  13 -10.464   2.071   3.964
   92   2HD   ARG  13          HD1       ARG  13 -11.322   2.983   2.720
   93    HE   ARG  13           HE       ARG  13 -12.335   1.023   1.994
   94   1HH1  ARG  13          HH11      ARG  13 -10.016   0.339   4.516
   95   2HH1  ARG  13          HH12      ARG  13 -10.591  -1.272   4.775
   96   1HH2  ARG  13          HH21      ARG  13 -13.084  -1.097   2.336
   97   2HH2  ARG  13          HH22      ARG  13 -12.329  -2.088   3.539
   98    H    ALA  14           HN       ALA  14  -6.064   1.404   5.698
   99    HA   ALA  14           HA       ALA  14  -3.747   2.128   4.339
  100   1HB   ALA  14          HB1       ALA  14  -2.573   1.560   6.264
  101   2HB   ALA  14          HB2       ALA  14  -3.678   0.246   6.670
  102   3HB   ALA  14          HB3       ALA  14  -4.189   1.923   6.867
  103    H    PHE  15           HN       PHE  15  -3.386   1.081   2.424
  104    HA   PHE  15           HA       PHE  15  -2.713  -1.778   2.632
  105   1HB   PHE  15          HB2       PHE  15  -4.195  -0.350   0.426
  106   2HB   PHE  15          HB1       PHE  15  -3.430  -1.918   0.188
  107    HD1  PHE  15           HD1      PHE  15  -6.447  -0.413   0.800
  108    HD2  PHE  15           HD2      PHE  15  -4.040  -3.618   2.231
  109    HE1  PHE  15           HE1      PHE  15  -8.457  -1.524   1.683
  110    HE2  PHE  15           HE2      PHE  15  -6.046  -4.735   3.115
  111    HZ   PHE  15           HZ       PHE  15  -8.258  -3.688   2.842
  112    H    TYR  16           HN       TYR  16  -1.015   0.559   2.908
  113    HA   TYR  16           HA       TYR  16   0.577   0.548   0.457
  114   1HB   TYR  16          HB2       TYR  16   0.310   2.743   1.223
  115   2HB   TYR  16          HB1       TYR  16   0.495   2.281   2.909
  116    HD1  TYR  16           HD1      TYR  16   2.583   1.951  -0.187
  117    HD2  TYR  16           HD2      TYR  16   2.371   3.174   3.882
  118    HE1  TYR  16           HE1      TYR  16   4.949   2.621  -0.270
  119    HE2  TYR  16           HE2      TYR  16   4.735   3.847   3.810
  120    HH   TYR  16           HH       TYR  16   6.728   3.440   2.561
  121    H    THR  17           HN       THR  17   2.216  -0.823   0.247
  122    HA   THR  17           HA       THR  17   3.783  -1.554   2.611
  123    HB   THR  17           HB       THR  17   2.131  -3.349   2.271
  124    HG1  THR  17           HG1      THR  17   4.749  -4.134   1.526
  125   1HG2  THR  17          HG21      THR  17   3.211  -4.618  -0.022
  126   2HG2  THR  17          HG22      THR  17   2.698  -2.991  -0.470
  127   3HG2  THR  17          HG23      THR  17   1.552  -4.101   0.281
  128    H    THR  18           HN       THR  18   5.911  -1.505   2.259
  129    HA   THR  18           HA       THR  18   6.834  -1.308  -0.525
  130    HB   THR  18           HB       THR  18   8.753  -0.047   0.349
  131    HG1  THR  18           HG1      THR  18   7.448  -0.200   2.859
  132   1HG2  THR  18          HG21      THR  18   6.240   0.949   0.077
  133   2HG2  THR  18          HG22      THR  18   7.689   1.910   0.377
  134   3HG2  THR  18          HG23      THR  18   6.649   1.437   1.721
  135    H    LYS  19           HN       LYS  19   8.495  -2.036   2.533
  136    HA   LYS  19           HA       LYS  19   9.526  -4.495   1.274
  137   1HB   LYS  19          HB2       LYS  19  11.223  -2.687   1.643
  138   2HB   LYS  19          HB1       LYS  19  10.921  -2.823   3.370
  139   1HG   LYS  19          HG2       LYS  19  11.566  -5.349   2.016
  140   2HG   LYS  19          HG1       LYS  19  12.863  -4.152   2.045
  141   1HD   LYS  19          HD2       LYS  19  11.321  -5.024   4.485
  142   2HD   LYS  19          HD1       LYS  19  12.858  -5.734   3.986
  143   1HE   LYS  19          HE2       LYS  19  12.343  -2.867   4.765
  144   2HE   LYS  19          HE1       LYS  19  13.275  -4.063   5.667
  145   1HZ   LYS  19          HZ1       LYS  19  14.557  -4.104   3.345
  146   2HZ   LYS  19          HZ2       LYS  19  14.981  -3.069   4.614
  147   3HZ   LYS  19          HZ3       LYS  19  14.029  -2.496   3.339
  Start of MODEL    3
    1   1H    ARG   4          HT1       ARG   4   5.302  -6.696  -6.176
    2   2H    ARG   4          HT2       ARG   4   6.235  -7.419  -4.930
    3   3H    ARG   4          HT3       ARG   4   6.733  -7.554  -6.567
    4    HA   ARG   4           HA       ARG   4   7.977  -5.936  -5.227
    5   1HB   ARG   4          HB2       ARG   4   6.496  -5.355  -7.762
    6   2HB   ARG   4          HB1       ARG   4   7.501  -4.095  -7.059
    7   1HG   ARG   4          HG2       ARG   4   9.180  -6.242  -6.997
    8   2HG   ARG   4          HG1       ARG   4   8.257  -6.540  -8.472
    9   1HD   ARG   4          HD2       ARG   4   8.768  -4.190  -9.163
   10   2HD   ARG   4          HD1       ARG   4   9.843  -4.075  -7.771
   11    HE   ARG   4           HE       ARG   4  10.669  -6.309  -9.129
   12   1HH1  ARG   4          HH11      ARG   4  10.281  -2.927  -9.899
   13   2HH1  ARG   4          HH12      ARG   4  11.556  -2.919 -11.070
   14   1HH2  ARG   4          HH21      ARG   4  12.345  -6.300 -10.671
   15   2HH2  ARG   4          HH22      ARG   4  12.728  -4.833 -11.509
   16    H    LYS   5           HN       LYS   5   7.711  -3.303  -5.266
   17    HA   LYS   5           HA       LYS   5   6.200  -2.677  -3.023
   18   1HB   LYS   5          HB2       LYS   5   7.975  -1.331  -4.740
   19   2HB   LYS   5          HB1       LYS   5   6.511  -0.357  -4.710
   20   1HG   LYS   5          HG2       LYS   5   6.940  -1.029  -2.058
   21   2HG   LYS   5          HG1       LYS   5   8.550  -0.696  -2.694
   22   1HD   LYS   5          HD2       LYS   5   8.113   1.470  -2.430
   23   2HD   LYS   5          HD1       LYS   5   6.932   1.325  -3.733
   24   1HE   LYS   5          HE2       LYS   5   6.485   1.197  -0.767
   25   2HE   LYS   5          HE1       LYS   5   5.760   2.291  -1.944
   26   1HZ   LYS   5          HZ1       LYS   5   4.104   0.748  -1.449
   27   2HZ   LYS   5          HZ2       LYS   5   5.164  -0.569  -1.492
   28   3HZ   LYS   5          HZ3       LYS   5   4.726   0.211  -2.928
   29    H    ARG   6           HN       ARG   6   4.186  -1.845  -2.665
   30    HA   ARG   6           HA       ARG   6   2.503  -1.153  -4.940
   31   1HB   ARG   6          HB2       ARG   6   0.682  -2.639  -3.652
   32   2HB   ARG   6          HB1       ARG   6   1.678  -3.265  -4.966
   33   1HG   ARG   6          HG2       ARG   6   3.303  -3.996  -3.118
   34   2HG   ARG   6          HG1       ARG   6   1.950  -3.718  -2.014
   35   1HD   ARG   6          HD2       ARG   6   0.639  -5.373  -3.033
   36   2HD   ARG   6          HD1       ARG   6   1.658  -5.419  -4.469
   37    HE   ARG   6           HE       ARG   6   3.090  -6.852  -3.384
   38   1HH1  ARG   6          HH11      ARG   6   0.840  -5.507  -1.079
   39   2HH1  ARG   6          HH12      ARG   6   1.300  -6.591   0.190
   40   1HH2  ARG   6          HH21      ARG   6   3.693  -8.279  -1.717
   41   2HH2  ARG   6          HH22      ARG   6   2.919  -8.164  -0.171
   42    H    ILE   7           HN       ILE   7   1.880   0.826  -4.405
   43    HA   ILE   7           HA       ILE   7   1.207   1.426  -1.613
   44    HB   ILE   7           HB       ILE   7   1.527   3.361  -3.910
   45   1HG1  ILE   7          HG12      ILE   7   3.545   3.180  -1.735
   46   2HG1  ILE   7          HG11      ILE   7   3.556   1.896  -2.947
   47   1HG2  ILE   7          HG21      ILE   7   1.374   3.788  -0.930
   48   2HG2  ILE   7          HG22      ILE   7   0.148   4.228  -2.119
   49   3HG2  ILE   7          HG23      ILE   7   1.713   5.041  -2.121
   50   1HD1  ILE   7          HD11      ILE   7   3.843   4.848  -3.451
   51   2HD1  ILE   7          HD12      ILE   7   3.757   3.610  -4.704
   52   3HD1  ILE   7          HD13      ILE   7   5.107   3.622  -3.569
   53    H    HIS   8           HN       HIS   8  -0.871   1.239  -1.082
   54    HA   HIS   8           HA       HIS   8  -2.895   2.228  -2.964
   55   1HB   HIS   8          HB2       HIS   8  -3.226  -0.319  -1.365
   56   2HB   HIS   8          HB1       HIS   8  -4.341   0.342  -2.566
   57    HD1  HIS   8           HD1      HIS   8  -2.487  -2.447  -2.423
   58    HD2  HIS   8           HD2      HIS   8  -2.276   0.769  -5.047
   59    HE1  HIS   8           HE1      HIS   8  -1.355  -3.335  -4.486
   60    HE2  HIS   8           HE2      HIS   8  -1.155  -1.349  -6.023
   61    H    ILE   9           HN       ILE   9  -4.211   3.655  -2.044
   62    HA   ILE   9           HA       ILE   9  -4.805   3.436   0.816
   63    HB   ILE   9           HB       ILE   9  -4.009   6.060  -0.440
   64   1HG1  ILE   9          HG12      ILE   9  -2.083   5.550   1.413
   65   2HG1  ILE   9          HG11      ILE   9  -2.391   3.923   0.802
   66   1HG2  ILE   9          HG21      ILE   9  -5.063   5.220   2.176
   67   2HG2  ILE   9          HG22      ILE   9  -5.204   6.763   1.334
   68   3HG2  ILE   9          HG23      ILE   9  -3.731   6.374   2.223
   69   1HD1  ILE   9          HD11      ILE   9  -0.552   5.192  -0.334
   70   2HD1  ILE   9          HD12      ILE   9  -1.794   6.262  -0.985
   71   3HD1  ILE   9          HD13      ILE   9  -1.801   4.548  -1.399
   72    H    GLY  10           HN       GLY  10  -6.849   4.000   1.361
   73   1HA   GLY  10          HA2       GLY  10  -8.492   5.393  -0.645
   74   2HA   GLY  10          HA1       GLY  10  -9.035   3.845  -0.006
   75    HA   PRO  11           HA       PRO  11 -10.937   6.983   2.741
   76   1HB   PRO  11          HB2       PRO  11 -13.200   5.579   3.231
   77   2HB   PRO  11          HB1       PRO  11 -12.987   6.570   1.781
   78   1HG   PRO  11          HG2       PRO  11 -12.716   3.610   2.109
   79   2HG   PRO  11          HG1       PRO  11 -13.460   4.528   0.789
   80   1HD   PRO  11          HD2       PRO  11 -10.954   3.465   0.646
   81   2HD   PRO  11          HD1       PRO  11 -11.446   4.921  -0.240
   82    H    GLY  12           HN       GLY  12  -8.907   5.823   3.850
   83   1HA   GLY  12          HA2       GLY  12  -8.306   5.338   6.069
   84   2HA   GLY  12          HA1       GLY  12  -9.948   4.781   6.367
   85    H    ARG  13           HN       ARG  13  -8.230   3.694   3.562
   86    HA   ARG  13           HA       ARG  13  -8.021   1.022   4.774
   87   1HB   ARG  13          HB2       ARG  13  -7.773   1.009   1.891
   88   2HB   ARG  13          HB1       ARG  13  -8.922   0.157   2.917
   89   1HG   ARG  13          HG2       ARG  13  -9.229   3.017   2.012
   90   2HG   ARG  13          HG1       ARG  13  -9.986   1.621   1.237
   91   1HD   ARG  13          HD2       ARG  13 -10.386   1.896   4.154
   92   2HD   ARG  13          HD1       ARG  13 -11.183   3.095   3.132
   93    HE   ARG  13           HE       ARG  13 -11.748   0.636   2.014
   94   1HH1  ARG  13          HH11      ARG  13 -12.309   2.225   5.070
   95   2HH1  ARG  13          HH12      ARG  13 -13.782   1.371   5.386
   96   1HH2  ARG  13          HH21      ARG  13 -13.685  -0.488   2.427
   97   2HH2  ARG  13          HH22      ARG  13 -14.564  -0.169   3.886
   98    H    ALA  14           HN       ALA  14  -5.958   1.571   5.694
   99    HA   ALA  14           HA       ALA  14  -3.749   2.425   4.161
  100   1HB   ALA  14          HB1       ALA  14  -3.275   2.744   6.352
  101   2HB   ALA  14          HB2       ALA  14  -2.540   1.148   6.184
  102   3HB   ALA  14          HB3       ALA  14  -4.160   1.307   6.866
  103    H    PHE  15           HN       PHE  15  -3.129   1.317   2.405
  104    HA   PHE  15           HA       PHE  15  -2.515  -1.540   2.751
  105   1HB   PHE  15          HB2       PHE  15  -3.958  -0.191   0.482
  106   2HB   PHE  15          HB1       PHE  15  -3.097  -1.707   0.236
  107    HD1  PHE  15           HD1      PHE  15  -3.689  -3.609   1.939
  108    HD2  PHE  15           HD2      PHE  15  -6.171  -0.256   1.101
  109    HE1  PHE  15           HE1      PHE  15  -5.644  -4.856   2.761
  110    HE2  PHE  15           HE2      PHE  15  -8.131  -1.495   1.921
  111    HZ   PHE  15           HZ       PHE  15  -7.869  -3.799   2.754
  112    H    TYR  16           HN       TYR  16  -0.792   0.751   3.034
  113    HA   TYR  16           HA       TYR  16   0.872   0.762   0.644
  114   1HB   TYR  16          HB2       TYR  16   0.607   2.902   1.650
  115   2HB   TYR  16          HB1       TYR  16   0.959   2.274   3.254
  116    HD1  TYR  16           HD1      TYR  16   2.620   2.491  -0.096
  117    HD2  TYR  16           HD2      TYR  16   3.024   2.781   4.129
  118    HE1  TYR  16           HE1      TYR  16   4.973   3.149  -0.370
  119    HE2  TYR  16           HE2      TYR  16   5.378   3.437   3.866
  120    HH   TYR  16           HH       TYR  16   6.788   4.537   2.030
  121    H    THR  17           HN       THR  17   2.387  -0.736   0.359
  122    HA   THR  17           HA       THR  17   3.851  -1.724   2.705
  123    HB   THR  17           HB       THR  17   3.839  -3.971   1.272
  124    HG1  THR  17           HG1      THR  17   1.731  -4.242   0.392
  125   1HG2  THR  17          HG21      THR  17   1.295  -3.898   2.603
  126   2HG2  THR  17          HG22      THR  17   2.544  -3.133   3.586
  127   3HG2  THR  17          HG23      THR  17   2.761  -4.788   3.017
  128    H    THR  18           HN       THR  18   5.962  -1.539   2.465
  129    HA   THR  18           HA       THR  18   7.053  -1.170  -0.232
  130    HB   THR  18           HB       THR  18   8.882  -0.004   0.773
  131    HG1  THR  18           HG1      THR  18   7.827  -0.670   3.315
  132   1HG2  THR  18          HG21      THR  18   7.686   1.827   1.037
  133   2HG2  THR  18          HG22      THR  18   7.171   1.279   2.632
  134   3HG2  THR  18          HG23      THR  18   6.226   0.852   1.204
  135    H    LYS  19           HN       LYS  19   8.094  -2.601   2.870
  136    HA   LYS  19           HA       LYS  19   9.509  -4.671   1.324
  137   1HB   LYS  19          HB2       LYS  19  10.558  -2.971   3.192
  138   2HB   LYS  19          HB1       LYS  19  10.193  -4.385   4.171
  139   1HG   LYS  19          HG2       LYS  19  11.477  -5.761   2.537
  140   2HG   LYS  19          HG1       LYS  19  11.954  -4.262   1.734
  141   1HD   LYS  19          HD2       LYS  19  12.927  -3.489   3.890
  142   2HD   LYS  19          HD1       LYS  19  12.560  -5.073   4.577
  143   1HE   LYS  19          HE2       LYS  19  13.951  -6.093   2.774
  144   2HE   LYS  19          HE1       LYS  19  14.418  -4.465   2.283
  145   1HZ   LYS  19          HZ1       LYS  19  15.075  -4.277   4.786
  146   2HZ   LYS  19          HZ2       LYS  19  16.122  -5.012   3.679
  147   3HZ   LYS  19          HZ3       LYS  19  15.159  -5.964   4.693
  Start of MODEL    4
    1   1H    ARG   4          HT1       ARG   4   9.576  -4.020  -7.548
    2   2H    ARG   4          HT2       ARG   4   9.539  -4.652  -5.954
    3   3H    ARG   4          HT3       ARG   4   9.198  -2.993  -6.229
    4    HA   ARG   4           HA       ARG   4   7.325  -3.793  -7.665
    5   1HB   ARG   4          HB2       ARG   4   8.466  -6.190  -7.344
    6   2HB   ARG   4          HB1       ARG   4   7.378  -6.236  -5.963
    7   1HG   ARG   4          HG2       ARG   4   6.068  -5.339  -8.401
    8   2HG   ARG   4          HG1       ARG   4   6.762  -6.955  -8.543
    9   1HD   ARG   4          HD2       ARG   4   5.488  -6.798  -6.020
   10   2HD   ARG   4          HD1       ARG   4   4.373  -6.137  -7.215
   11    HE   ARG   4           HE       ARG   4   4.075  -8.246  -8.028
   12   1HH1  ARG   4          HH11      ARG   4   7.032  -8.191  -6.176
   13   2HH1  ARG   4          HH12      ARG   4   7.287  -9.899  -6.298
   14   1HH2  ARG   4          HH21      ARG   4   4.408 -10.492  -8.189
   15   2HH2  ARG   4          HH22      ARG   4   5.797 -11.206  -7.442
   16    H    LYS   5           HN       LYS   5   7.575  -1.939  -5.813
   17    HA   LYS   5           HA       LYS   5   6.516  -2.477  -3.261
   18   1HB   LYS   5          HB2       LYS   5   7.468  -0.227  -4.667
   19   2HB   LYS   5          HB1       LYS   5   5.837   0.179  -4.151
   20   1HG   LYS   5          HG2       LYS   5   6.688  -0.779  -1.851
   21   2HG   LYS   5          HG1       LYS   5   8.263  -0.365  -2.529
   22   1HD   LYS   5          HD2       LYS   5   7.900   1.712  -1.799
   23   2HD   LYS   5          HD1       LYS   5   6.701   1.854  -3.084
   24   1HE   LYS   5          HE2       LYS   5   6.334   1.448  -0.169
   25   2HE   LYS   5          HE1       LYS   5   5.414   2.437  -1.296
   26   1HZ   LYS   5          HZ1       LYS   5   5.158  -0.436  -0.717
   27   2HZ   LYS   5          HZ2       LYS   5   4.680   0.153  -2.228
   28   3HZ   LYS   5          HZ3       LYS   5   3.953   0.747  -0.822
   29    H    ARG   6           HN       ARG   6   4.416  -1.771  -2.419
   30    HA   ARG   6           HA       ARG   6   2.258  -1.715  -4.394
   31   1HB   ARG   6          HB2       ARG   6   2.830  -4.080  -3.334
   32   2HB   ARG   6          HB1       ARG   6   1.867  -3.447  -1.997
   33   1HG   ARG   6          HG2       ARG   6  -0.039  -3.174  -3.408
   34   2HG   ARG   6          HG1       ARG   6   0.910  -3.558  -4.850
   35   1HD   ARG   6          HD2       ARG   6   0.259  -5.420  -2.568
   36   2HD   ARG   6          HD1       ARG   6  -0.416  -5.475  -4.196
   37    HE   ARG   6           HE       ARG   6   2.290  -5.676  -4.549
   38   1HH1  ARG   6          HH11      ARG   6  -0.112  -7.468  -2.761
   39   2HH1  ARG   6          HH12      ARG   6   0.733  -8.973  -2.891
   40   1HH2  ARG   6          HH21      ARG   6   3.404  -7.654  -4.721
   41   2HH2  ARG   6          HH22      ARG   6   2.730  -9.079  -4.003
   42    H    ILE   7           HN       ILE   7   1.856   0.431  -3.871
   43    HA   ILE   7           HA       ILE   7   1.121   1.033  -1.095
   44    HB   ILE   7           HB       ILE   7   1.377   2.978  -3.391
   45   1HG1  ILE   7          HG12      ILE   7   3.427   2.615  -1.221
   46   2HG1  ILE   7          HG11      ILE   7   3.487   1.638  -2.691
   47   1HG2  ILE   7          HG21      ILE   7   0.720   3.195  -0.529
   48   2HG2  ILE   7          HG22      ILE   7   0.263   4.228  -1.883
   49   3HG2  ILE   7          HG23      ILE   7   1.858   4.391  -1.147
   50   1HD1  ILE   7          HD11      ILE   7   3.605   3.697  -4.023
   51   2HD1  ILE   7          HD12      ILE   7   4.948   3.544  -2.890
   52   3HD1  ILE   7          HD13      ILE   7   3.612   4.640  -2.533
   53    H    HIS   8           HN       HIS   8  -0.969   0.703  -0.625
   54    HA   HIS   8           HA       HIS   8  -2.982   1.548  -2.602
   55   1HB   HIS   8          HB2       HIS   8  -2.692  -1.043  -1.192
   56   2HB   HIS   8          HB1       HIS   8  -4.331  -0.392  -1.298
   57    HD1  HIS   8           HD1      HIS   8  -4.325  -2.790  -2.788
   58    HD2  HIS   8           HD2      HIS   8  -2.670   0.627  -4.474
   59    HE1  HIS   8           HE1      HIS   8  -4.303  -3.207  -5.267
   60    HE2  HIS   8           HE2      HIS   8  -3.216  -1.163  -6.258
   61    H    ILE   9           HN       ILE   9  -4.434   2.950  -1.868
   62    HA   ILE   9           HA       ILE   9  -4.931   3.107   1.027
   63    HB   ILE   9           HB       ILE   9  -4.641   5.534  -0.743
   64   1HG1  ILE   9          HG12      ILE   9  -2.559   5.838   0.828
   65   2HG1  ILE   9          HG11      ILE   9  -2.665   4.083   0.984
   66   1HG2  ILE   9          HG21      ILE   9  -5.441   5.064   2.051
   67   2HG2  ILE   9          HG22      ILE   9  -5.876   6.368   0.947
   68   3HG2  ILE   9          HG23      ILE   9  -4.326   6.404   1.788
   69   1HD1  ILE   9          HD11      ILE   9  -2.841   4.539  -1.741
   70   2HD1  ILE   9          HD12      ILE   9  -1.430   3.969  -0.850
   71   3HD1  ILE   9          HD13      ILE   9  -1.631   5.691  -1.178
   72    H    GLY  10           HN       GLY  10  -6.984   2.383   1.123
   73   1HA   GLY  10          HA2       GLY  10  -8.914   3.135  -0.917
   74   2HA   GLY  10          HA1       GLY  10  -9.186   2.030   0.425
   75    HA   PRO  11           HA       PRO  11 -11.615   5.767   1.506
   76   1HB   PRO  11          HB2       PRO  11 -13.074   3.817   3.165
   77   2HB   PRO  11          HB1       PRO  11 -13.684   4.909   1.917
   78   1HG   PRO  11          HG2       PRO  11 -13.543   2.255   1.526
   79   2HG   PRO  11          HG1       PRO  11 -13.261   3.414   0.212
   80   1HD   PRO  11          HD2       PRO  11 -11.271   1.877   1.844
   81   2HD   PRO  11          HD1       PRO  11 -11.282   2.206   0.097
   82    H    GLY  12           HN       GLY  12  -9.387   6.041   2.630
   83   1HA   GLY  12          HA2       GLY  12  -8.447   6.845   4.590
   84   2HA   GLY  12          HA1       GLY  12  -9.910   6.373   5.444
   85    H    ARG  13           HN       ARG  13  -8.335   4.034   3.463
   86    HA   ARG  13           HA       ARG  13  -7.334   2.684   5.877
   87   1HB   ARG  13          HB2       ARG  13  -7.560   0.763   3.837
   88   2HB   ARG  13          HB1       ARG  13  -8.567   0.925   5.270
   89   1HG   ARG  13          HG2       ARG  13  -9.176   2.512   2.806
   90   2HG   ARG  13          HG1       ARG  13  -9.678   0.824   2.945
   91   1HD   ARG  13          HD2       ARG  13 -10.300   2.849   5.075
   92   2HD   ARG  13          HD1       ARG  13 -11.344   2.624   3.668
   93    HE   ARG  13           HE       ARG  13 -10.748   0.183   5.062
   94   1HH1  ARG  13          HH11      ARG  13 -12.860   2.958   4.944
   95   2HH1  ARG  13          HH12      ARG  13 -14.168   2.154   5.744
   96   1HH2  ARG  13          HH21      ARG  13 -12.467  -0.877   6.116
   97   2HH2  ARG  13          HH22      ARG  13 -13.945  -0.023   6.410
   98    H    ALA  14           HN       ALA  14  -5.381   3.986   5.522
   99    HA   ALA  14           HA       ALA  14  -3.773   3.817   3.247
  100   1HB   ALA  14          HB1       ALA  14  -2.995   5.464   4.589
  101   2HB   ALA  14          HB2       ALA  14  -1.918   4.182   5.142
  102   3HB   ALA  14          HB3       ALA  14  -3.362   4.583   6.072
  103    H    PHE  15           HN       PHE  15  -3.485   1.803   2.404
  104    HA   PHE  15           HA       PHE  15  -2.259  -0.236   4.131
  105   1HB   PHE  15          HB2       PHE  15  -3.732  -0.477   1.503
  106   2HB   PHE  15          HB1       PHE  15  -2.877  -1.816   2.261
  107    HD1  PHE  15           HD1      PHE  15  -3.584  -1.306   5.116
  108    HD2  PHE  15           HD2      PHE  15  -5.947  -1.190   1.577
  109    HE1  PHE  15           HE1      PHE  15  -5.588  -1.833   6.441
  110    HE2  PHE  15           HE2      PHE  15  -7.956  -1.716   2.897
  111    HZ   PHE  15           HZ       PHE  15  -7.778  -2.038   5.332
  112    H    TYR  16           HN       TYR  16  -0.334   1.280   3.813
  113    HA   TYR  16           HA       TYR  16   1.018   0.967   1.258
  114   1HB   TYR  16          HB2       TYR  16   1.228   3.143   2.155
  115   2HB   TYR  16          HB1       TYR  16   1.601   2.536   3.763
  116    HD1  TYR  16           HD1      TYR  16   2.935   3.647   0.626
  117    HD2  TYR  16           HD2      TYR  16   3.848   1.410   4.127
  118    HE1  TYR  16           HE1      TYR  16   5.334   3.890   0.148
  119    HE2  TYR  16           HE2      TYR  16   6.251   1.645   3.658
  120    HH   TYR  16           HH       TYR  16   7.624   2.089   1.263
  121    H    THR  17           HN       THR  17   2.278  -0.712   0.857
  122    HA   THR  17           HA       THR  17   4.026  -1.765   2.926
  123    HB   THR  17           HB       THR  17   2.035  -3.125   3.219
  124    HG1  THR  17           HG1      THR  17   3.347  -4.721   3.461
  125   1HG2  THR  17          HG21      THR  17   1.278  -4.637   1.406
  126   2HG2  THR  17          HG22      THR  17   2.265  -3.705   0.280
  127   3HG2  THR  17          HG23      THR  17   0.921  -2.933   1.121
  128    H    THR  18           HN       THR  18   5.916  -2.542   2.127
  129    HA   THR  18           HA       THR  18   6.218  -2.468  -0.797
  130    HB   THR  18           HB       THR  18   8.503  -1.878  -0.478
  131    HG1  THR  18           HG1      THR  18   9.417  -1.834   1.628
  132   1HG2  THR  18          HG21      THR  18   6.469  -0.322   0.754
  133   2HG2  THR  18          HG22      THR  18   7.966   0.208  -0.015
  134   3HG2  THR  18          HG23      THR  18   7.950  -0.186   1.703
  135    H    LYS  19           HN       LYS  19   7.794  -4.118   1.951
  136    HA   LYS  19           HA       LYS  19   7.190  -6.721   1.113
  137   1HB   LYS  19          HB2       LYS  19   8.781  -5.925  -0.742
  138   2HB   LYS  19          HB1       LYS  19  10.047  -6.015   0.475
  139   1HG   LYS  19          HG2       LYS  19   9.940  -8.024  -0.926
  140   2HG   LYS  19          HG1       LYS  19   9.645  -8.376   0.778
  141   1HD   LYS  19          HD2       LYS  19   7.313  -8.612   0.417
  142   2HD   LYS  19          HD1       LYS  19   7.425  -7.925  -1.205
  143   1HE   LYS  19          HE2       LYS  19   8.929 -10.417  -0.515
  144   2HE   LYS  19          HE1       LYS  19   7.212 -10.499  -0.909
  145   1HZ   LYS  19          HZ1       LYS  19   9.001 -10.737  -2.763
  146   2HZ   LYS  19          HZ2       LYS  19   9.020  -9.047  -2.711
  147   3HZ   LYS  19          HZ3       LYS  19   7.582  -9.865  -3.063
  Start of MODEL    5
    1   1H    ARG   4          HT1       ARG   4   8.179  -6.714  -5.280
    2   2H    ARG   4          HT2       ARG   4   7.688  -7.452  -6.749
    3   3H    ARG   4          HT3       ARG   4   6.602  -7.370  -5.423
    4    HA   ARG   4           HA       ARG   4   7.720  -5.019  -6.787
    5   1HB   ARG   4          HB2       ARG   4   5.887  -6.900  -7.781
    6   2HB   ARG   4          HB1       ARG   4   4.909  -5.541  -7.245
    7   1HG   ARG   4          HG2       ARG   4   5.351  -4.601  -9.203
    8   2HG   ARG   4          HG1       ARG   4   6.993  -4.347  -8.611
    9   1HD   ARG   4          HD2       ARG   4   6.694  -7.040  -9.567
   10   2HD   ARG   4          HD1       ARG   4   6.170  -5.900 -10.804
   11    HE   ARG   4           HE       ARG   4   8.851  -6.323  -9.855
   12   1HH1  ARG   4          HH11      ARG   4   6.684  -4.063 -11.397
   13   2HH1  ARG   4          HH12      ARG   4   7.955  -3.184 -12.178
   14   1HH2  ARG   4          HH21      ARG   4  10.524  -5.168 -10.881
   15   2HH2  ARG   4          HH22      ARG   4  10.136  -3.812 -11.885
   16    H    LYS   5           HN       LYS   5   7.348  -3.210  -5.680
   17    HA   LYS   5           HA       LYS   5   6.272  -3.156  -3.118
   18   1HB   LYS   5          HB2       LYS   5   7.651  -1.393  -4.670
   19   2HB   LYS   5          HB1       LYS   5   6.064  -0.636  -4.632
   20   1HG   LYS   5          HG2       LYS   5   6.160  -0.862  -2.119
   21   2HG   LYS   5          HG1       LYS   5   7.860  -1.292  -2.319
   22   1HD   LYS   5          HD2       LYS   5   8.408   0.855  -2.477
   23   2HD   LYS   5          HD1       LYS   5   7.319   1.053  -3.852
   24   1HE   LYS   5          HE2       LYS   5   5.633   1.895  -2.572
   25   2HE   LYS   5          HE1       LYS   5   6.112   0.978  -1.144
   26   1HZ   LYS   5          HZ1       LYS   5   8.188   2.619  -1.399
   27   2HZ   LYS   5          HZ2       LYS   5   6.825   2.986  -0.467
   28   3HZ   LYS   5          HZ3       LYS   5   6.969   3.604  -2.035
   29    H    ARG   6           HN       ARG   6   4.388  -1.812  -2.396
   30    HA   ARG   6           HA       ARG   6   2.155  -1.763  -4.272
   31   1HB   ARG   6          HB2       ARG   6   2.469  -3.708  -2.122
   32   2HB   ARG   6          HB1       ARG   6   0.969  -2.788  -1.980
   33   1HG   ARG   6          HG2       ARG   6   0.881  -3.398  -4.593
   34   2HG   ARG   6          HG1       ARG   6   1.795  -4.784  -3.988
   35   1HD   ARG   6          HD2       ARG   6  -0.488  -4.126  -2.309
   36   2HD   ARG   6          HD1       ARG   6  -0.953  -4.496  -3.968
   37    HE   ARG   6           HE       ARG   6  -0.344  -6.682  -3.627
   38   1HH1  ARG   6          HH11      ARG   6   0.861  -4.731  -0.995
   39   2HH1  ARG   6          HH12      ARG   6   1.342  -6.093  -0.040
   40   1HH2  ARG   6          HH21      ARG   6   0.287  -8.474  -2.372
   41   2HH2  ARG   6          HH22      ARG   6   1.017  -8.217  -0.821
   42    H    ILE   7           HN       ILE   7   1.219   0.155  -4.110
   43    HA   ILE   7           HA       ILE   7   1.102   1.453  -1.468
   44    HB   ILE   7           HB       ILE   7   1.488   2.922  -4.076
   45   1HG1  ILE   7          HG12      ILE   7   3.660   3.014  -2.103
   46   2HG1  ILE   7          HG11      ILE   7   3.410   1.414  -2.810
   47   1HG2  ILE   7          HG21      ILE   7   0.414   3.871  -1.803
   48   2HG2  ILE   7          HG22      ILE   7   1.365   4.854  -2.916
   49   3HG2  ILE   7          HG23      ILE   7   2.122   4.166  -1.479
   50   1HD1  ILE   7          HD11      ILE   7   4.599   3.788  -3.956
   51   2HD1  ILE   7          HD12      ILE   7   3.329   3.118  -4.981
   52   3HD1  ILE   7          HD13      ILE   7   4.686   2.107  -4.483
   53    H    HIS   8           HN       HIS   8  -0.964   1.489  -0.871
   54    HA   HIS   8           HA       HIS   8  -2.943   2.621  -2.669
   55   1HB   HIS   8          HB2       HIS   8  -3.449  -0.062  -1.368
   56   2HB   HIS   8          HB1       HIS   8  -4.516   0.807  -2.476
   57    HD1  HIS   8           HD1      HIS   8  -3.784   0.865  -5.003
   58    HD2  HIS   8           HD2      HIS   8  -1.503  -1.610  -2.565
   59    HE1  HIS   8           HE1      HIS   8  -2.486  -0.612  -6.571
   60    HE2  HIS   8           HE2      HIS   8  -1.181  -2.161  -5.072
   61    H    ILE   9           HN       ILE   9  -3.805   4.198  -1.502
   62    HA   ILE   9           HA       ILE   9  -4.676   3.614   1.236
   63    HB   ILE   9           HB       ILE   9  -3.256   6.174   0.503
   64   1HG1  ILE   9          HG12      ILE   9  -1.702   4.896   2.390
   65   2HG1  ILE   9          HG11      ILE   9  -2.222   3.565   1.355
   66   1HG2  ILE   9          HG21      ILE   9  -4.226   5.060   3.130
   67   2HG2  ILE   9          HG22      ILE   9  -4.853   6.470   2.277
   68   3HG2  ILE   9          HG23      ILE   9  -3.227   6.504   2.959
   69   1HD1  ILE   9          HD11      ILE   9  -0.087   5.236   0.914
   70   2HD1  ILE   9          HD12      ILE   9  -1.331   5.872  -0.163
   71   3HD1  ILE   9          HD13      ILE   9  -0.847   4.179  -0.277
   72    H    GLY  10           HN       GLY  10  -6.832   3.730   0.949
   73   1HA   GLY  10          HA2       GLY  10  -7.888   6.240  -0.199
   74   2HA   GLY  10          HA1       GLY  10  -8.598   4.677  -0.590
   75    HA   PRO  11           HA       PRO  11 -11.488   6.150   2.628
   76   1HB   PRO  11          HB2       PRO  11 -12.506   3.417   1.983
   77   2HB   PRO  11          HB1       PRO  11 -13.398   4.932   2.171
   78   1HG   PRO  11          HG2       PRO  11 -12.935   3.939  -0.248
   79   2HG   PRO  11          HG1       PRO  11 -12.822   5.684   0.047
   80   1HD   PRO  11          HD2       PRO  11 -10.642   3.677  -0.308
   81   2HD   PRO  11          HD1       PRO  11 -10.708   5.375  -0.819
   82    H    GLY  12           HN       GLY  12  -9.744   5.934   4.224
   83   1HA   GLY  12          HA2       GLY  12  -8.697   4.943   6.027
   84   2HA   GLY  12          HA1       GLY  12 -10.243   4.136   6.268
   85    H    ARG  13           HN       ARG  13  -8.442   3.711   3.344
   86    HA   ARG  13           HA       ARG  13  -8.021   0.903   4.034
   87   1HB   ARG  13          HB2       ARG  13  -8.309   2.366   1.426
   88   2HB   ARG  13          HB1       ARG  13  -7.685   0.719   1.497
   89   1HG   ARG  13          HG2       ARG  13  -9.709  -0.162   1.862
   90   2HG   ARG  13          HG1       ARG  13 -10.178   1.124   2.980
   91   1HD   ARG  13          HD2       ARG  13 -11.535   1.001   0.882
   92   2HD   ARG  13          HD1       ARG  13 -10.780   2.568   1.194
   93    HE   ARG  13           HE       ARG  13  -8.974   1.390  -0.398
   94   1HH1  ARG  13          HH11      ARG  13 -12.439   1.717  -0.691
   95   2HH1  ARG  13          HH12      ARG  13 -12.417   1.712  -2.423
   96   1HH2  ARG  13          HH21      ARG  13  -8.947   1.385  -2.674
   97   2HH2  ARG  13          HH22      ARG  13 -10.435   1.524  -3.548
   98    H    ALA  14           HN       ALA  14  -6.141   1.937   5.327
   99    HA   ALA  14           HA       ALA  14  -3.850   2.849   3.922
  100   1HB   ALA  14          HB1       ALA  14  -3.441   1.545   6.536
  101   2HB   ALA  14          HB2       ALA  14  -4.577   2.894   6.512
  102   3HB   ALA  14          HB3       ALA  14  -2.919   3.128   5.961
  103    H    PHE  15           HN       PHE  15  -3.327   1.421   2.282
  104    HA   PHE  15           HA       PHE  15  -2.310  -1.200   3.168
  105   1HB   PHE  15          HB2       PHE  15  -3.643  -0.488   0.550
  106   2HB   PHE  15          HB1       PHE  15  -2.844  -2.024   0.868
  107    HD1  PHE  15           HD1      PHE  15  -5.890  -0.241   1.013
  108    HD2  PHE  15           HD2      PHE  15  -3.707  -3.364   2.907
  109    HE1  PHE  15           HE1      PHE  15  -7.983  -1.124   1.959
  110    HE2  PHE  15           HE2      PHE  15  -5.795  -4.253   3.857
  111    HZ   PHE  15           HZ       PHE  15  -7.937  -3.134   3.383
  112    H    TYR  16           HN       TYR  16  -0.785   1.186   3.142
  113    HA   TYR  16           HA       TYR  16   0.873   1.061   0.754
  114   1HB   TYR  16          HB2       TYR  16   0.447   3.276   1.518
  115   2HB   TYR  16          HB1       TYR  16   0.862   2.862   3.177
  116    HD1  TYR  16           HD1      TYR  16   2.822   3.814   3.904
  117    HD2  TYR  16           HD2      TYR  16   2.540   2.601  -0.164
  118    HE1  TYR  16           HE1      TYR  16   5.127   4.581   3.522
  119    HE2  TYR  16           HE2      TYR  16   4.846   3.364  -0.556
  120    HH   TYR  16           HH       TYR  16   6.960   4.219   2.000
  121    H    THR  17           HN       THR  17   1.995  -0.840   0.825
  122    HA   THR  17           HA       THR  17   3.906  -1.120   3.045
  123    HB   THR  17           HB       THR  17   3.688  -3.546   2.926
  124    HG1  THR  17           HG1      THR  17   2.242  -4.508   1.558
  125   1HG2  THR  17          HG21      THR  17   1.619  -3.853   3.957
  126   2HG2  THR  17          HG22      THR  17   0.882  -2.515   3.076
  127   3HG2  THR  17          HG23      THR  17   2.068  -2.191   4.339
  128    H    THR  18           HN       THR  18   5.977  -1.594   2.501
  129    HA   THR  18           HA       THR  18   6.570  -1.708  -0.376
  130    HB   THR  18           HB       THR  18   8.725  -0.763   0.134
  131    HG1  THR  18           HG1      THR  18   8.004  -0.861   2.872
  132   1HG2  THR  18          HG21      THR  18   6.327   0.594   0.800
  133   2HG2  THR  18          HG22      THR  18   7.849   1.258   0.205
  134   3HG2  THR  18          HG23      THR  18   7.581   1.080   1.939
  135    H    LYS  19           HN       LYS  19   8.110  -2.830   2.645
  136    HA   LYS  19           HA       LYS  19   9.228  -4.743   3.161
  137   1HB   LYS  19          HB2       LYS  19   7.035  -5.726   1.364
  138   2HB   LYS  19          HB1       LYS  19   8.234  -6.847   1.994
  139   1HG   LYS  19          HG2       LYS  19   6.746  -5.028   3.842
  140   2HG   LYS  19          HG1       LYS  19   6.012  -6.525   3.264
  141   1HD   LYS  19          HD2       LYS  19   7.147  -7.685   4.783
  142   2HD   LYS  19          HD1       LYS  19   8.670  -7.100   4.111
  143   1HE   LYS  19          HE2       LYS  19   7.830  -4.932   5.527
  144   2HE   LYS  19          HE1       LYS  19   7.212  -6.256   6.515
  145   1HZ   LYS  19          HZ1       LYS  19   9.952  -5.440   6.013
  146   2HZ   LYS  19          HZ2       LYS  19   9.683  -7.110   6.025
  147   3HZ   LYS  19          HZ3       LYS  19   9.272  -6.179   7.376
  Start of MODEL    6
    1   1H    ARG   4          HT1       ARG   4  10.283  -4.034  -5.745
    2   2H    ARG   4          HT2       ARG   4   9.829  -2.441  -5.295
    3   3H    ARG   4          HT3       ARG   4  10.109  -2.822  -6.945
    4    HA   ARG   4           HA       ARG   4   7.850  -2.770  -6.771
    5   1HB   ARG   4          HB2       ARG   4   8.798  -5.617  -6.380
    6   2HB   ARG   4          HB1       ARG   4   7.213  -5.170  -6.994
    7   1HG   ARG   4          HG2       ARG   4   9.738  -4.261  -8.331
    8   2HG   ARG   4          HG1       ARG   4   9.000  -5.823  -8.686
    9   1HD   ARG   4          HD2       ARG   4   7.541  -3.195  -8.887
   10   2HD   ARG   4          HD1       ARG   4   8.360  -3.965 -10.243
   11    HE   ARG   4           HE       ARG   4   6.716  -5.612 -10.291
   12   1HH1  ARG   4          HH11      ARG   4   6.182  -3.405  -7.633
   13   2HH1  ARG   4          HH12      ARG   4   4.555  -3.930  -7.366
   14   1HH2  ARG   4          HH21      ARG   4   4.577  -6.297  -9.935
   15   2HH2  ARG   4          HH22      ARG   4   3.644  -5.569  -8.669
   16    H    LYS   5           HN       LYS   5   5.877  -3.220  -5.670
   17    HA   LYS   5           HA       LYS   5   5.715  -4.479  -3.161
   18   1HB   LYS   5          HB2       LYS   5   5.570  -2.640  -1.649
   19   2HB   LYS   5          HB1       LYS   5   7.085  -2.481  -2.526
   20   1HG   LYS   5          HG2       LYS   5   5.260  -1.037  -4.036
   21   2HG   LYS   5          HG1       LYS   5   4.841  -0.671  -2.360
   22   1HD   LYS   5          HD2       LYS   5   7.716  -0.636  -3.071
   23   2HD   LYS   5          HD1       LYS   5   6.716   0.670  -3.710
   24   1HE   LYS   5          HE2       LYS   5   5.883   0.545  -1.120
   25   2HE   LYS   5          HE1       LYS   5   7.587   0.122  -0.968
   26   1HZ   LYS   5          HZ1       LYS   5   8.226   2.193  -1.470
   27   2HZ   LYS   5          HZ2       LYS   5   6.643   2.635  -1.070
   28   3HZ   LYS   5          HZ3       LYS   5   7.066   2.383  -2.688
   29    H    ARG   6           HN       ARG   6   3.675  -3.024  -1.957
   30    HA   ARG   6           HA       ARG   6   1.641  -2.667  -4.029
   31   1HB   ARG   6          HB2       ARG   6   1.764  -4.852  -2.076
   32   2HB   ARG   6          HB1       ARG   6   0.224  -3.989  -2.076
   33   1HG   ARG   6          HG2       ARG   6  -0.100  -4.447  -4.406
   34   2HG   ARG   6          HG1       ARG   6   1.519  -5.144  -4.538
   35   1HD   ARG   6          HD2       ARG   6   0.603  -6.709  -2.611
   36   2HD   ARG   6          HD1       ARG   6  -0.950  -6.271  -3.321
   37    HE   ARG   6           HE       ARG   6   1.053  -7.993  -4.453
   38   1HH1  ARG   6          HH11      ARG   6  -1.645  -5.896  -5.161
   39   2HH1  ARG   6          HH12      ARG   6  -2.010  -6.666  -6.669
   40   1HH2  ARG   6          HH21      ARG   6   0.576  -9.007  -6.435
   41   2HH2  ARG   6          HH22      ARG   6  -0.748  -8.432  -7.392
   42    H    ILE   7           HN       ILE   7   1.417  -0.511  -3.645
   43    HA   ILE   7           HA       ILE   7   0.645   0.294  -0.916
   44    HB   ILE   7           HB       ILE   7   1.450   2.277  -3.008
   45   1HG1  ILE   7          HG12      ILE   7   3.756   1.944  -1.574
   46   2HG1  ILE   7          HG11      ILE   7   3.192   0.276  -1.723
   47   1HG2  ILE   7          HG21      ILE   7   2.446   3.094  -0.609
   48   2HG2  ILE   7          HG22      ILE   7   0.996   2.218  -0.120
   49   3HG2  ILE   7          HG23      ILE   7   0.875   3.554  -1.264
   50   1HD1  ILE   7          HD11      ILE   7   3.411   0.273  -4.013
   51   2HD1  ILE   7          HD12      ILE   7   4.773   1.276  -3.514
   52   3HD1  ILE   7          HD13      ILE   7   3.303   2.029  -4.134
   53    H    HIS   8           HN       HIS   8  -1.497   0.449  -0.720
   54    HA   HIS   8           HA       HIS   8  -3.004   1.708  -2.915
   55   1HB   HIS   8          HB2       HIS   8  -4.135  -0.457  -1.143
   56   2HB   HIS   8          HB1       HIS   8  -4.819   0.198  -2.635
   57    HD1  HIS   8           HD1      HIS   8  -3.520  -2.800  -1.620
   58    HD2  HIS   8           HD2      HIS   8  -2.481  -0.267  -4.746
   59    HE1  HIS   8           HE1      HIS   8  -2.309  -4.247  -3.283
   60    HE2  HIS   8           HE2      HIS   8  -1.753  -2.707  -5.197
   61    H    ILE   9           HN       ILE   9  -4.176   3.417  -2.353
   62    HA   ILE   9           HA       ILE   9  -4.751   3.833   0.509
   63    HB   ILE   9           HB       ILE   9  -4.807   6.327  -0.190
   64   1HG1  ILE   9          HG12      ILE   9  -4.547   5.673  -2.659
   65   2HG1  ILE   9          HG11      ILE   9  -3.542   6.995  -2.066
   66   1HG2  ILE   9          HG21      ILE   9  -2.101   6.146  -0.116
   67   2HG2  ILE   9          HG22      ILE   9  -2.572   4.571   0.522
   68   3HG2  ILE   9          HG23      ILE   9  -3.154   6.045   1.295
   69   1HD1  ILE   9          HD11      ILE   9  -2.190   4.471  -1.770
   70   2HD1  ILE   9          HD12      ILE   9  -1.693   5.924  -2.638
   71   3HD1  ILE   9          HD13      ILE   9  -2.711   4.726  -3.436
   72    H    GLY  10           HN       GLY  10  -6.824   4.123   1.061
   73   1HA   GLY  10          HA2       GLY  10  -8.731   4.977  -1.007
   74   2HA   GLY  10          HA1       GLY  10  -9.031   3.476  -0.139
   75    HA   PRO  11           HA       PRO  11 -11.345   6.707   2.176
   76   1HB   PRO  11          HB2       PRO  11 -12.972   4.371   2.939
   77   2HB   PRO  11          HB1       PRO  11 -13.473   5.896   2.198
   78   1HG   PRO  11          HG2       PRO  11 -13.455   3.590   0.818
   79   2HG   PRO  11          HG1       PRO  11 -13.059   5.142   0.056
   80   1HD   PRO  11          HD2       PRO  11 -11.223   2.969   0.997
   81   2HD   PRO  11          HD1       PRO  11 -11.141   3.952  -0.480
   82    H    GLY  12           HN       GLY  12  -9.219   6.501   3.417
   83   1HA   GLY  12          HA2       GLY  12  -8.263   6.374   5.507
   84   2HA   GLY  12          HA1       GLY  12  -9.821   5.840   6.121
   85    H    ARG  13           HN       ARG  13  -8.303   4.133   3.513
   86    HA   ARG  13           HA       ARG  13  -7.691   1.931   5.364
   87   1HB   ARG  13          HB2       ARG  13  -7.852   0.815   2.806
   88   2HB   ARG  13          HB1       ARG  13  -9.024   0.655   4.108
   89   1HG   ARG  13          HG2       ARG  13  -9.255   3.085   2.444
   90   2HG   ARG  13          HG1       ARG  13  -9.626   1.551   1.659
   91   1HD   ARG  13          HD2       ARG  13 -11.471   2.940   2.949
   92   2HD   ARG  13          HD1       ARG  13 -11.468   1.176   2.939
   93    HE   ARG  13           HE       ARG  13 -10.019   2.333   5.140
   94   1HH1  ARG  13          HH11      ARG  13 -13.148   1.288   4.004
   95   2HH1  ARG  13          HH12      ARG  13 -13.779   1.036   5.597
   96   1HH2  ARG  13          HH21      ARG  13 -10.847   2.002   7.235
   97   2HH2  ARG  13          HH22      ARG  13 -12.475   1.442   7.431
   98    H    ALA  14           HN       ALA  14  -5.613   3.045   5.625
   99    HA   ALA  14           HA       ALA  14  -3.789   3.367   3.499
  100   1HB   ALA  14          HB1       ALA  14  -3.383   4.571   5.494
  101   2HB   ALA  14          HB2       ALA  14  -2.069   3.405   5.345
  102   3HB   ALA  14          HB3       ALA  14  -3.394   3.102   6.469
  103    H    PHE  15           HN       PHE  15  -3.456   1.624   2.213
  104    HA   PHE  15           HA       PHE  15  -2.588  -0.878   3.496
  105   1HB   PHE  15          HB2       PHE  15  -3.831  -0.322   0.805
  106   2HB   PHE  15          HB1       PHE  15  -3.038  -1.851   1.170
  107    HD1  PHE  15           HD1      PHE  15  -3.858  -2.425   3.878
  108    HD2  PHE  15           HD2      PHE  15  -6.093  -0.721   0.682
  109    HE1  PHE  15           HE1      PHE  15  -5.938  -3.261   4.893
  110    HE2  PHE  15           HE2      PHE  15  -8.177  -1.553   1.691
  111    HZ   PHE  15           HZ       PHE  15  -8.101  -2.825   3.799
  112    H    TYR  16           HN       TYR  16  -0.667   0.913   3.590
  113    HA   TYR  16           HA       TYR  16   1.012   0.750   1.218
  114   1HB   TYR  16          HB2       TYR  16   0.686   2.796   2.826
  115   2HB   TYR  16          HB1       TYR  16   1.889   1.974   3.811
  116    HD1  TYR  16           HD1      TYR  16   3.637   0.863   1.648
  117    HD2  TYR  16           HD2      TYR  16   1.834   4.691   2.089
  118    HE1  TYR  16           HE1      TYR  16   5.424   1.855   0.287
  119    HE2  TYR  16           HE2      TYR  16   3.618   5.694   0.726
  120    HH   TYR  16           HH       TYR  16   6.208   4.914   0.222
  121    H    THR  17           HN       THR  17   2.095  -1.096   0.942
  122    HA   THR  17           HA       THR  17   3.623  -2.147   3.217
  123    HB   THR  17           HB       THR  17   1.807  -3.656   3.133
  124    HG1  THR  17           HG1      THR  17   2.795  -5.569   2.352
  125   1HG2  THR  17          HG21      THR  17   2.130  -3.699   0.145
  126   2HG2  THR  17          HG22      THR  17   0.751  -3.099   1.069
  127   3HG2  THR  17          HG23      THR  17   1.123  -4.823   1.058
  128    H    THR  18           HN       THR  18   5.649  -1.720   2.622
  129    HA   THR  18           HA       THR  18   6.475  -1.983  -0.151
  130    HB   THR  18           HB       THR  18   8.454  -0.846   0.464
  131    HG1  THR  18           HG1      THR  18   9.365  -1.123   2.324
  132   1HG2  THR  18          HG21      THR  18   5.973   0.236   1.262
  133   2HG2  THR  18          HG22      THR  18   7.444   1.087   0.787
  134   3HG2  THR  18          HG23      THR  18   7.169   0.680   2.481
  135    H    LYS  19           HN       LYS  19   8.596  -3.078  -0.595
  136    HA   LYS  19           HA       LYS  19   8.953  -5.468   1.084
  137   1HB   LYS  19          HB2       LYS  19   9.134  -5.530  -1.924
  138   2HB   LYS  19          HB1       LYS  19   9.083  -6.892  -0.814
  139   1HG   LYS  19          HG2       LYS  19   6.763  -6.275  -0.225
  140   2HG   LYS  19          HG1       LYS  19   6.831  -4.995  -1.437
  141   1HD   LYS  19          HD2       LYS  19   7.297  -6.703  -3.162
  142   2HD   LYS  19          HD1       LYS  19   7.128  -7.957  -1.933
  143   1HE   LYS  19          HE2       LYS  19   4.819  -6.576  -1.589
  144   2HE   LYS  19          HE1       LYS  19   5.076  -6.372  -3.321
  145   1HZ   LYS  19          HZ1       LYS  19   4.427  -8.766  -1.813
  146   2HZ   LYS  19          HZ2       LYS  19   5.555  -8.973  -3.057
  147   3HZ   LYS  19          HZ3       LYS  19   4.023  -8.342  -3.401
  Start of MODEL    7
    1   1H    ARG   4          HT1       ARG   4  10.304  -4.555  -7.093
    2   2H    ARG   4          HT2       ARG   4   9.332  -5.762  -6.357
    3   3H    ARG   4          HT3       ARG   4  10.245  -4.684  -5.384
    4    HA   ARG   4           HA       ARG   4   8.950  -2.848  -6.269
    5   1HB   ARG   4          HB2       ARG   4   7.175  -5.039  -7.350
    6   2HB   ARG   4          HB1       ARG   4   6.979  -3.305  -7.560
    7   1HG   ARG   4          HG2       ARG   4   9.339  -3.504  -8.697
    8   2HG   ARG   4          HG1       ARG   4   8.840  -5.183  -8.916
    9   1HD   ARG   4          HD2       ARG   4   7.369  -2.723  -9.853
   10   2HD   ARG   4          HD1       ARG   4   8.229  -3.885 -10.863
   11    HE   ARG   4           HE       ARG   4   5.581  -4.137  -9.835
   12   1HH1  ARG   4          HH11      ARG   4   8.414  -5.958 -10.753
   13   2HH1  ARG   4          HH12      ARG   4   7.524  -7.403 -11.102
   14   1HH2  ARG   4          HH21      ARG   4   4.411  -6.037 -10.292
   15   2HH2  ARG   4          HH22      ARG   4   5.253  -7.449 -10.841
   16    H    LYS   5           HN       LYS   5   6.505  -2.568  -5.528
   17    HA   LYS   5           HA       LYS   5   5.934  -4.281  -3.228
   18   1HB   LYS   5          HB2       LYS   5   5.752  -2.490  -1.689
   19   2HB   LYS   5          HB1       LYS   5   7.306  -2.302  -2.489
   20   1HG   LYS   5          HG2       LYS   5   5.578  -0.814  -4.051
   21   2HG   LYS   5          HG1       LYS   5   5.030  -0.512  -2.402
   22   1HD   LYS   5          HD2       LYS   5   7.949  -0.421  -2.901
   23   2HD   LYS   5          HD1       LYS   5   6.975   0.902  -3.552
   24   1HE   LYS   5          HE2       LYS   5   5.972   0.654  -1.030
   25   2HE   LYS   5          HE1       LYS   5   7.670   0.250  -0.783
   26   1HZ   LYS   5          HZ1       LYS   5   7.494   2.564  -0.508
   27   2HZ   LYS   5          HZ2       LYS   5   6.542   2.752  -1.893
   28   3HZ   LYS   5          HZ3       LYS   5   8.179   2.351  -2.040
   29    H    ARG   6           HN       ARG   6   3.832  -3.002  -2.134
   30    HA   ARG   6           HA       ARG   6   1.955  -2.478  -4.328
   31   1HB   ARG   6          HB2       ARG   6   1.394  -4.320  -1.992
   32   2HB   ARG   6          HB1       ARG   6   0.260  -3.894  -3.276
   33   1HG   ARG   6          HG2       ARG   6   2.845  -5.395  -3.656
   34   2HG   ARG   6          HG1       ARG   6   1.233  -6.118  -3.591
   35   1HD   ARG   6          HD2       ARG   6   2.048  -4.018  -5.593
   36   2HD   ARG   6          HD1       ARG   6   2.152  -5.752  -5.900
   37    HE   ARG   6           HE       ARG   6  -0.450  -5.093  -5.046
   38   1HH1  ARG   6          HH11      ARG   6   1.667  -4.729  -7.796
   39   2HH1  ARG   6          HH12      ARG   6   0.371  -4.663  -8.943
   40   1HH2  ARG   6          HH21      ARG   6  -2.157  -5.007  -6.554
   41   2HH2  ARG   6          HH22      ARG   6  -1.799  -4.821  -8.238
   42    H    ILE   7           HN       ILE   7   1.681  -0.346  -3.916
   43    HA   ILE   7           HA       ILE   7   1.025   0.488  -1.184
   44    HB   ILE   7           HB       ILE   7   1.508   2.262  -3.575
   45   1HG1  ILE   7          HG12      ILE   7   3.626   2.167  -1.567
   46   2HG1  ILE   7          HG11      ILE   7   3.391   0.609  -2.369
   47   1HG2  ILE   7          HG21      ILE   7   1.047   2.700  -0.675
   48   2HG2  ILE   7          HG22      ILE   7   0.503   3.640  -2.064
   49   3HG2  ILE   7          HG23      ILE   7   2.171   3.774  -1.509
   50   1HD1  ILE   7          HD11      ILE   7   3.358   2.503  -4.414
   51   2HD1  ILE   7          HD12      ILE   7   4.653   1.374  -4.015
   52   3HD1  ILE   7          HD13      ILE   7   4.660   3.000  -3.333
   53    H    HIS   8           HN       HIS   8  -1.049   0.585  -0.653
   54    HA   HIS   8           HA       HIS   8  -2.971   1.611  -2.615
   55   1HB   HIS   8          HB2       HIS   8  -3.431  -0.839  -0.894
   56   2HB   HIS   8          HB1       HIS   8  -4.615  -0.098  -1.976
   57    HD1  HIS   8           HD1      HIS   8  -4.740  -1.123  -4.221
   58    HD2  HIS   8           HD2      HIS   8  -1.041  -1.763  -2.439
   59    HE1  HIS   8           HE1      HIS   8  -3.469  -2.592  -5.818
   60    HE2  HIS   8           HE2      HIS   8  -1.197  -2.875  -4.769
   61    H    ILE   9           HN       ILE   9  -4.072   3.258  -1.796
   62    HA   ILE   9           HA       ILE   9  -4.798   3.255   1.037
   63    HB   ILE   9           HB       ILE   9  -3.532   5.673  -0.249
   64   1HG1  ILE   9          HG12      ILE   9  -1.734   5.029   1.602
   65   2HG1  ILE   9          HG11      ILE   9  -2.350   3.405   1.293
   66   1HG2  ILE   9          HG21      ILE   9  -4.498   5.038   2.522
   67   2HG2  ILE   9          HG22      ILE   9  -4.973   6.370   1.469
   68   3HG2  ILE   9          HG23      ILE   9  -3.367   6.351   2.198
   69   1HD1  ILE   9          HD11      ILE   9  -1.193   3.253  -0.589
   70   2HD1  ILE   9          HD12      ILE   9  -0.385   4.750  -0.123
   71   3HD1  ILE   9          HD13      ILE   9  -1.804   4.802  -1.169
   72    H    GLY  10           HN       GLY  10  -6.963   3.261   0.843
   73   1HA   GLY  10          HA2       GLY  10  -8.157   5.297  -0.942
   74   2HA   GLY  10          HA1       GLY  10  -8.882   3.718  -0.653
   75    HA   PRO  11           HA       PRO  11 -11.421   6.409   2.042
   76   1HB   PRO  11          HB2       PRO  11 -12.587   3.700   2.498
   77   2HB   PRO  11          HB1       PRO  11 -13.404   5.238   2.187
   78   1HG   PRO  11          HG2       PRO  11 -13.193   3.406   0.268
   79   2HG   PRO  11          HG1       PRO  11 -13.020   5.132  -0.099
   80   1HD   PRO  11          HD2       PRO  11 -10.926   3.019   0.108
   81   2HD   PRO  11          HD1       PRO  11 -11.003   4.433  -0.959
   82    H    GLY  12           HN       GLY  12  -9.554   6.668   3.470
   83   1HA   GLY  12          HA2       GLY  12  -8.368   6.318   5.416
   84   2HA   GLY  12          HA1       GLY  12  -9.904   5.737   6.049
   85    H    ARG  13           HN       ARG  13  -8.399   4.187   3.344
   86    HA   ARG  13           HA       ARG  13  -8.021   1.782   4.951
   87   1HB   ARG  13          HB2       ARG  13  -8.337   2.274   2.002
   88   2HB   ARG  13          HB1       ARG  13  -7.799   0.719   2.633
   89   1HG   ARG  13          HG2       ARG  13  -9.856   0.143   3.295
   90   2HG   ARG  13          HG1       ARG  13 -10.209   1.756   3.927
   91   1HD   ARG  13          HD2       ARG  13 -11.126   2.469   1.982
   92   2HD   ARG  13          HD1       ARG  13 -10.049   1.483   0.989
   93    HE   ARG  13           HE       ARG  13 -12.641   0.746   1.994
   94   1HH1  ARG  13          HH11      ARG  13  -9.571  -0.447   0.839
   95   2HH1  ARG  13          HH12      ARG  13 -10.210  -1.981   0.350
   96   1HH2  ARG  13          HH21      ARG  13 -13.483  -1.271   1.351
   97   2HH2  ARG  13          HH22      ARG  13 -12.430  -2.449   0.639
   98    H    ALA  14           HN       ALA  14  -6.048   3.112   5.759
   99    HA   ALA  14           HA       ALA  14  -3.790   3.493   4.153
  100   1HB   ALA  14          HB1       ALA  14  -2.746   4.123   6.057
  101   2HB   ALA  14          HB2       ALA  14  -3.324   2.727   6.966
  102   3HB   ALA  14          HB3       ALA  14  -4.389   4.107   6.694
  103    H    PHE  15           HN       PHE  15  -3.562   1.669   2.809
  104    HA   PHE  15           HA       PHE  15  -2.465  -0.703   4.173
  105   1HB   PHE  15          HB2       PHE  15  -4.038  -0.602   1.591
  106   2HB   PHE  15          HB1       PHE  15  -3.281  -2.046   2.254
  107    HD1  PHE  15           HD1      PHE  15  -6.315  -1.002   1.678
  108    HD2  PHE  15           HD2      PHE  15  -3.921  -1.827   5.099
  109    HE1  PHE  15           HE1      PHE  15  -8.348  -1.463   2.985
  110    HE2  PHE  15           HE2      PHE  15  -5.950  -2.291   6.411
  111    HZ   PHE  15           HZ       PHE  15  -8.167  -2.110   5.354
  112    H    TYR  16           HN       TYR  16  -0.680   1.173   3.753
  113    HA   TYR  16           HA       TYR  16   0.552   0.853   1.136
  114   1HB   TYR  16          HB2       TYR  16   0.688   3.077   1.834
  115   2HB   TYR  16          HB1       TYR  16   1.034   2.638   3.501
  116    HD1  TYR  16           HD1      TYR  16   2.652   1.861   0.212
  117    HD2  TYR  16           HD2      TYR  16   3.104   3.394   4.155
  118    HE1  TYR  16           HE1      TYR  16   5.051   2.204  -0.202
  119    HE2  TYR  16           HE2      TYR  16   5.505   3.742   3.751
  120    HH   TYR  16           HH       TYR  16   7.036   4.033   1.886
  121    H    THR  17           HN       THR  17   1.517  -1.085   0.923
  122    HA   THR  17           HA       THR  17   3.392  -1.916   3.041
  123    HB   THR  17           HB       THR  17   1.636  -3.544   2.820
  124    HG1  THR  17           HG1      THR  17   3.890  -4.507   1.401
  125   1HG2  THR  17          HG21      THR  17   0.784  -3.037   0.619
  126   2HG2  THR  17          HG22      THR  17   1.205  -4.747   0.735
  127   3HG2  THR  17          HG23      THR  17   2.273  -3.632  -0.117
  128    H    THR  18           HN       THR  18   5.474  -1.855   2.540
  129    HA   THR  18           HA       THR  18   6.270  -1.394  -0.218
  130    HB   THR  18           HB       THR  18   8.437  -0.817   0.680
  131    HG1  THR  18           HG1      THR  18   7.414  -1.831   3.119
  132   1HG2  THR  18          HG21      THR  18   7.750   1.170   1.352
  133   2HG2  THR  18          HG22      THR  18   7.110   0.496   2.851
  134   3HG2  THR  18          HG23      THR  18   6.105   0.538   1.402
  135    H    LYS  19           HN       LYS  19   8.704  -2.441  -0.477
  136    HA   LYS  19           HA       LYS  19   8.164  -5.237  -0.837
  137   1HB   LYS  19          HB2       LYS  19  10.481  -5.284  -1.779
  138   2HB   LYS  19          HB1       LYS  19   9.417  -4.111  -2.543
  139   1HG   LYS  19          HG2       LYS  19  10.464  -2.301  -1.417
  140   2HG   LYS  19          HG1       LYS  19  11.364  -3.397  -0.367
  141   1HD   LYS  19          HD2       LYS  19  12.577  -4.252  -2.328
  142   2HD   LYS  19          HD1       LYS  19  11.694  -3.120  -3.355
  143   1HE   LYS  19          HE2       LYS  19  12.691  -1.475  -1.413
  144   2HE   LYS  19          HE1       LYS  19  13.977  -2.670  -1.576
  145   1HZ   LYS  19          HZ1       LYS  19  13.076  -0.649  -3.456
  146   2HZ   LYS  19          HZ2       LYS  19  13.456  -2.152  -4.132
  147   3HZ   LYS  19          HZ3       LYS  19  14.617  -1.314  -3.233
  Start of MODEL    8
    1   1H    ARG   4          HT1       ARG   4   8.937  -6.197  -6.368
    2   2H    ARG   4          HT2       ARG   4   9.175  -5.372  -4.882
    3   3H    ARG   4          HT3       ARG   4   8.173  -4.689  -6.094
    4    HA   ARG   4           HA       ARG   4   6.645  -6.503  -5.876
    5   1HB   ARG   4          HB2       ARG   4   8.413  -7.333  -3.568
    6   2HB   ARG   4          HB1       ARG   4   6.952  -8.142  -4.115
    7   1HG   ARG   4          HG2       ARG   4   8.467  -9.482  -5.119
    8   2HG   ARG   4          HG1       ARG   4   8.345  -8.255  -6.381
    9   1HD   ARG   4          HD2       ARG   4  10.647  -8.560  -6.073
   10   2HD   ARG   4          HD1       ARG   4  10.272  -7.082  -5.188
   11    HE   ARG   4           HE       ARG   4  10.825  -8.147  -3.234
   12   1HH1  ARG   4          HH11      ARG   4  10.459 -10.525  -5.760
   13   2HH1  ARG   4          HH12      ARG   4  11.101 -11.820  -4.806
   14   1HH2  ARG   4          HH21      ARG   4  11.671  -9.847  -1.977
   15   2HH2  ARG   4          HH22      ARG   4  11.789 -11.435  -2.658
   16    H    LYS   5           HN       LYS   5   6.643  -3.836  -5.291
   17    HA   LYS   5           HA       LYS   5   5.569  -3.698  -2.555
   18   1HB   LYS   5          HB2       LYS   5   7.199  -2.109  -2.451
   19   2HB   LYS   5          HB1       LYS   5   7.213  -1.860  -4.187
   20   1HG   LYS   5          HG2       LYS   5   5.082  -0.570  -3.924
   21   2HG   LYS   5          HG1       LYS   5   5.319  -0.676  -2.178
   22   1HD   LYS   5          HD2       LYS   5   7.144   0.626  -4.195
   23   2HD   LYS   5          HD1       LYS   5   6.179   1.428  -2.957
   24   1HE   LYS   5          HE2       LYS   5   7.578  -0.215  -1.392
   25   2HE   LYS   5          HE1       LYS   5   8.729  -0.057  -2.717
   26   1HZ   LYS   5          HZ1       LYS   5   7.498   2.324  -1.480
   27   2HZ   LYS   5          HZ2       LYS   5   8.930   2.217  -2.375
   28   3HZ   LYS   5          HZ3       LYS   5   8.868   1.600  -0.801
   29    H    ARG   6           HN       ARG   6   3.825  -2.001  -2.320
   30    HA   ARG   6           HA       ARG   6   2.298  -1.242  -4.579
   31   1HB   ARG   6          HB2       ARG   6   1.619  -3.781  -3.206
   32   2HB   ARG   6          HB1       ARG   6   0.269  -2.701  -3.559
   33   1HG   ARG   6          HG2       ARG   6   1.399  -2.647  -5.947
   34   2HG   ARG   6          HG1       ARG   6   2.039  -4.206  -5.409
   35   1HD   ARG   6          HD2       ARG   6  -0.224  -4.986  -4.950
   36   2HD   ARG   6          HD1       ARG   6  -0.875  -3.423  -5.439
   37    HE   ARG   6           HE       ARG   6   0.699  -4.637  -7.491
   38   1HH1  ARG   6          HH11      ARG   6  -2.459  -4.618  -6.007
   39   2HH1  ARG   6          HH12      ARG   6  -3.267  -5.197  -7.426
   40   1HH2  ARG   6          HH21      ARG   6  -0.360  -5.403  -9.357
   41   2HH2  ARG   6          HH22      ARG   6  -2.075  -5.644  -9.327
   42    H    ILE   7           HN       ILE   7   1.612   0.684  -3.937
   43    HA   ILE   7           HA       ILE   7   0.603   0.970  -1.179
   44    HB   ILE   7           HB       ILE   7   1.833   3.209  -2.775
   45   1HG1  ILE   7          HG12      ILE   7   3.372   2.032  -0.532
   46   2HG1  ILE   7          HG11      ILE   7   3.296   1.060  -2.004
   47   1HG2  ILE   7          HG21      ILE   7   0.338   3.849  -0.956
   48   2HG2  ILE   7          HG22      ILE   7   2.006   4.300  -0.603
   49   3HG2  ILE   7          HG23      ILE   7   1.291   2.886   0.172
   50   1HD1  ILE   7          HD11      ILE   7   3.977   3.927  -2.287
   51   2HD1  ILE   7          HD12      ILE   7   4.543   2.528  -3.198
   52   3HD1  ILE   7          HD13      ILE   7   5.189   2.853  -1.589
   53    H    HIS   8           HN       HIS   8  -1.466   1.523  -1.024
   54    HA   HIS   8           HA       HIS   8  -2.677   3.287  -2.987
   55   1HB   HIS   8          HB2       HIS   8  -3.823   0.540  -2.434
   56   2HB   HIS   8          HB1       HIS   8  -4.557   1.787  -3.449
   57    HD1  HIS   8           HD1      HIS   8  -3.069   2.448  -5.630
   58    HD2  HIS   8           HD2      HIS   8  -2.168  -1.155  -3.767
   59    HE1  HIS   8           HE1      HIS   8  -1.754   1.129  -7.319
   60    HE2  HIS   8           HE2      HIS   8  -1.288  -1.078  -6.198
   61    H    ILE   9           HN       ILE   9  -3.623   4.802  -1.799
   62    HA   ILE   9           HA       ILE   9  -4.662   4.110   0.852
   63    HB   ILE   9           HB       ILE   9  -4.280   6.853  -0.353
   64   1HG1  ILE   9          HG12      ILE   9  -2.384   6.752   1.518
   65   2HG1  ILE   9          HG11      ILE   9  -2.453   5.030   1.142
   66   1HG2  ILE   9          HG21      ILE   9  -5.808   7.162   1.347
   67   2HG2  ILE   9          HG22      ILE   9  -4.280   7.389   2.197
   68   3HG2  ILE   9          HG23      ILE   9  -5.142   5.855   2.326
   69   1HD1  ILE   9          HD11      ILE   9  -2.053   7.171  -0.929
   70   2HD1  ILE   9          HD12      ILE   9  -1.870   5.429  -1.127
   71   3HD1  ILE   9          HD13      ILE   9  -0.735   6.326  -0.118
   72    H    GLY  10           HN       GLY  10  -6.772   4.050   1.298
   73   1HA   GLY  10          HA2       GLY  10  -8.640   5.138  -0.722
   74   2HA   GLY  10          HA1       GLY  10  -8.916   3.606   0.100
   75    HA   PRO  11           HA       PRO  11 -11.194   6.798   2.511
   76   1HB   PRO  11          HB2       PRO  11 -13.433   5.329   2.904
   77   2HB   PRO  11          HB1       PRO  11 -13.160   6.280   1.438
   78   1HG   PRO  11          HG2       PRO  11 -12.855   3.346   1.875
   79   2HG   PRO  11          HG1       PRO  11 -13.484   4.212   0.466
   80   1HD   PRO  11          HD2       PRO  11 -10.945   3.179   0.632
   81   2HD   PRO  11          HD1       PRO  11 -11.400   4.537  -0.414
   82    H    GLY  12           HN       GLY  12  -9.203   5.771   3.785
   83   1HA   GLY  12          HA2       GLY  12  -8.749   5.404   6.068
   84   2HA   GLY  12          HA1       GLY  12 -10.361   4.729   6.256
   85    H    ARG  13           HN       ARG  13  -8.512   3.658   3.567
   86    HA   ARG  13           HA       ARG  13  -7.963   1.123   4.959
   87   1HB   ARG  13          HB2       ARG  13  -7.985   0.684   2.155
   88   2HB   ARG  13          HB1       ARG  13  -9.108   0.067   3.362
   89   1HG   ARG  13          HG2       ARG  13  -9.407   2.763   2.052
   90   2HG   ARG  13          HG1       ARG  13 -10.146   1.282   1.429
   91   1HD   ARG  13          HD2       ARG  13 -10.570   2.003   4.287
   92   2HD   ARG  13          HD1       ARG  13 -11.453   2.896   3.047
   93    HE   ARG  13           HE       ARG  13 -11.912   0.334   2.362
   94   1HH1  ARG  13          HH11      ARG  13 -12.208   2.042   5.392
   95   2HH1  ARG  13          HH12      ARG  13 -13.498   1.043   5.973
   96   1HH2  ARG  13          HH21      ARG  13 -13.609  -0.981   3.128
   97   2HH2  ARG  13          HH22      ARG  13 -14.292  -0.673   4.689
   98    H    ALA  14           HN       ALA  14  -5.874   1.782   5.577
   99    HA   ALA  14           HA       ALA  14  -3.954   2.732   3.695
  100   1HB   ALA  14          HB1       ALA  14  -3.945   1.942   6.546
  101   2HB   ALA  14          HB2       ALA  14  -3.313   3.392   5.767
  102   3HB   ALA  14          HB3       ALA  14  -2.401   1.885   5.695
  103    H    PHE  15           HN       PHE  15  -2.831   1.612   2.255
  104    HA   PHE  15           HA       PHE  15  -2.323  -1.242   2.752
  105   1HB   PHE  15          HB2       PHE  15  -3.634   0.038   0.413
  106   2HB   PHE  15          HB1       PHE  15  -2.496  -1.262   0.072
  107    HD1  PHE  15           HD1      PHE  15  -5.816  -0.628   0.419
  108    HD2  PHE  15           HD2      PHE  15  -2.852  -3.295   1.905
  109    HE1  PHE  15           HE1      PHE  15  -7.565  -2.283   0.925
  110    HE2  PHE  15           HE2      PHE  15  -4.596  -4.957   2.412
  111    HZ   PHE  15           HZ       PHE  15  -6.956  -4.451   1.922
  112    H    TYR  16           HN       TYR  16  -0.459   0.549   3.445
  113    HA   TYR  16           HA       TYR  16   1.397   0.935   1.238
  114   1HB   TYR  16          HB2       TYR  16   1.064   2.724   2.918
  115   2HB   TYR  16          HB1       TYR  16   1.686   1.649   4.165
  116    HD1  TYR  16           HD1      TYR  16   2.533   3.854   1.404
  117    HD2  TYR  16           HD2      TYR  16   4.074   1.012   4.170
  118    HE1  TYR  16           HE1      TYR  16   4.815   4.632   0.923
  119    HE2  TYR  16           HE2      TYR  16   6.361   1.784   3.697
  120    HH   TYR  16           HH       TYR  16   7.199   3.556   1.083
  121    H    THR  17           HN       THR  17   2.067  -1.136   0.707
  122    HA   THR  17           HA       THR  17   3.637  -2.527   2.779
  123    HB   THR  17           HB       THR  17   1.824  -3.956   2.285
  124    HG1  THR  17           HG1      THR  17   2.962  -5.653   1.761
  125   1HG2  THR  17          HG21      THR  17   1.348  -4.673  -0.090
  126   2HG2  THR  17          HG22      THR  17   2.279  -3.263  -0.596
  127   3HG2  THR  17          HG23      THR  17   0.817  -3.055   0.369
  128    H    THR  18           HN       THR  18   5.600  -1.587   2.288
  129    HA   THR  18           HA       THR  18   6.589  -1.688  -0.445
  130    HB   THR  18           HB       THR  18   8.496  -0.435   0.394
  131    HG1  THR  18           HG1      THR  18   7.335  -0.763   2.960
  132   1HG2  THR  18          HG21      THR  18   5.851   0.560   1.394
  133   2HG2  THR  18          HG22      THR  18   6.710   1.015  -0.078
  134   3HG2  THR  18          HG23      THR  18   7.334   1.509   1.496
  135    H    LYS  19           HN       LYS  19   9.211  -2.179  -0.250
  136    HA   LYS  19           HA       LYS  19   9.381  -4.968  -0.154
  137   1HB   LYS  19          HB2       LYS  19  11.899  -4.525  -0.140
  138   2HB   LYS  19          HB1       LYS  19  10.977  -3.870  -1.486
  139   1HG   LYS  19          HG2       LYS  19  11.104  -1.680  -0.649
  140   2HG   LYS  19          HG1       LYS  19  11.634  -2.232   0.941
  141   1HD   LYS  19          HD2       LYS  19  13.751  -2.019   0.300
  142   2HD   LYS  19          HD1       LYS  19  13.485  -3.219  -0.966
  143   1HE   LYS  19          HE2       LYS  19  14.056  -1.521  -2.332
  144   2HE   LYS  19          HE1       LYS  19  12.371  -1.050  -2.117
  145   1HZ   LYS  19          HZ1       LYS  19  13.302   0.892  -1.521
  146   2HZ   LYS  19          HZ2       LYS  19  14.786   0.198  -1.103
  147   3HZ   LYS  19          HZ3       LYS  19  13.490   0.139  -0.018
  Start of MODEL    9
    1   1H    ARG   4          HT1       ARG   4   8.244  -3.598  -6.068
    2   2H    ARG   4          HT2       ARG   4   7.328  -4.895  -6.719
    3   3H    ARG   4          HT3       ARG   4   9.011  -4.786  -7.037
    4    HA   ARG   4           HA       ARG   4   8.269  -6.434  -5.335
    5   1HB   ARG   4          HB2       ARG   4  10.580  -5.382  -5.754
    6   2HB   ARG   4          HB1       ARG   4  10.237  -4.374  -4.355
    7   1HG   ARG   4          HG2       ARG   4  11.576  -6.276  -3.709
    8   2HG   ARG   4          HG1       ARG   4   9.972  -6.387  -2.980
    9   1HD   ARG   4          HD2       ARG   4   9.576  -8.334  -3.984
   10   2HD   ARG   4          HD1       ARG   4  10.022  -7.677  -5.559
   11    HE   ARG   4           HE       ARG   4  11.659  -9.271  -3.814
   12   1HH1  ARG   4          HH11      ARG   4  11.672  -6.931  -6.404
   13   2HH1  ARG   4          HH12      ARG   4  13.240  -7.391  -6.979
   14   1HH2  ARG   4          HH21      ARG   4  13.721  -9.878  -4.570
   15   2HH2  ARG   4          HH22      ARG   4  14.402  -9.065  -5.939
   16    H    LYS   5           HN       LYS   5   6.254  -4.300  -5.151
   17    HA   LYS   5           HA       LYS   5   5.527  -4.631  -2.445
   18   1HB   LYS   5          HB2       LYS   5   5.828  -2.477  -1.534
   19   2HB   LYS   5          HB1       LYS   5   7.370  -2.913  -2.251
   20   1HG   LYS   5          HG2       LYS   5   5.968  -1.592  -4.270
   21   2HG   LYS   5          HG1       LYS   5   5.665  -0.667  -2.800
   22   1HD   LYS   5          HD2       LYS   5   8.446  -1.555  -3.327
   23   2HD   LYS   5          HD1       LYS   5   7.801  -0.244  -4.319
   24   1HE   LYS   5          HE2       LYS   5   7.025   0.466  -1.783
   25   2HE   LYS   5          HE1       LYS   5   8.609  -0.264  -1.519
   26   1HZ   LYS   5          HZ1       LYS   5   7.946   2.036  -3.265
   27   2HZ   LYS   5          HZ2       LYS   5   9.430   1.229  -3.340
   28   3HZ   LYS   5          HZ3       LYS   5   8.968   2.019  -1.916
   29    H    ARG   6           HN       ARG   6   3.726  -2.831  -1.916
   30    HA   ARG   6           HA       ARG   6   2.183  -2.209  -4.308
   31   1HB   ARG   6          HB2       ARG   6   0.129  -3.238  -3.313
   32   2HB   ARG   6          HB1       ARG   6   1.356  -4.407  -3.805
   33   1HG   ARG   6          HG2       ARG   6   2.089  -4.606  -1.476
   34   2HG   ARG   6          HG1       ARG   6   0.838  -3.453  -0.992
   35   1HD   ARG   6          HD2       ARG   6  -0.865  -5.003  -1.932
   36   2HD   ARG   6          HD1       ARG   6   0.422  -6.167  -2.241
   37    HE   ARG   6           HE       ARG   6   0.631  -5.544   0.423
   38   1HH1  ARG   6          HH11      ARG   6  -1.852  -6.851  -1.650
   39   2HH1  ARG   6          HH12      ARG   6  -2.585  -7.787  -0.391
   40   1HH2  ARG   6          HH21      ARG   6  -0.331  -6.774   2.080
   41   2HH2  ARG   6          HH22      ARG   6  -1.722  -7.743   1.728
   42    H    ILE   7           HN       ILE   7   1.537  -0.186  -4.126
   43    HA   ILE   7           HA       ILE   7   0.973   0.872  -1.434
   44    HB   ILE   7           HB       ILE   7   2.008   2.463  -3.778
   45   1HG1  ILE   7          HG12      ILE   7   3.791   2.126  -1.480
   46   2HG1  ILE   7          HG11      ILE   7   3.451   0.606  -2.314
   47   1HG2  ILE   7          HG21      ILE   7   1.133   3.105  -1.038
   48   2HG2  ILE   7          HG22      ILE   7   1.125   4.096  -2.498
   49   3HG2  ILE   7          HG23      ILE   7   2.617   3.892  -1.579
   50   1HD1  ILE   7          HD11      ILE   7   5.265   2.650  -3.031
   51   2HD1  ILE   7          HD12      ILE   7   4.005   2.597  -4.264
   52   3HD1  ILE   7          HD13      ILE   7   4.919   1.140  -3.874
   53    H    HIS   8           HN       HIS   8  -1.136   1.124  -1.193
   54    HA   HIS   8           HA       HIS   8  -2.636   2.644  -3.158
   55   1HB   HIS   8          HB2       HIS   8  -3.142   0.520  -4.042
   56   2HB   HIS   8          HB1       HIS   8  -3.229  -0.223  -2.444
   57    HD1  HIS   8           HD1      HIS   8  -5.331   0.982  -5.088
   58    HD2  HIS   8           HD2      HIS   8  -5.597   0.821  -0.946
   59    HE1  HIS   8           HE1      HIS   8  -7.777   1.237  -4.564
   60    HE2  HIS   8           HE2      HIS   8  -7.926   1.027  -2.057
   61    H    ILE   9           HN       ILE   9  -3.830   4.099  -2.110
   62    HA   ILE   9           HA       ILE   9  -4.638   3.503   0.663
   63    HB   ILE   9           HB       ILE   9  -3.976   6.247  -0.399
   64   1HG1  ILE   9          HG12      ILE   9  -2.015   5.742   1.389
   65   2HG1  ILE   9          HG11      ILE   9  -2.260   4.117   0.746
   66   1HG2  ILE   9          HG21      ILE   9  -5.372   6.563   1.415
   67   2HG2  ILE   9          HG22      ILE   9  -3.775   6.602   2.165
   68   3HG2  ILE   9          HG23      ILE   9  -4.760   5.143   2.264
   69   1HD1  ILE   9          HD11      ILE   9  -2.152   5.567  -1.537
   70   2HD1  ILE   9          HD12      ILE   9  -0.770   4.768  -0.788
   71   3HD1  ILE   9          HD13      ILE   9  -1.062   6.482  -0.496
   72    H    GLY  10           HN       GLY  10  -6.720   3.794   1.185
   73   1HA   GLY  10          HA2       GLY  10  -8.454   5.141  -0.796
   74   2HA   GLY  10          HA1       GLY  10  -8.930   3.657   0.024
   75    HA   PRO  11           HA       PRO  11 -10.665   7.113   2.511
   76   1HB   PRO  11          HB2       PRO  11 -13.061   5.929   3.005
   77   2HB   PRO  11          HB1       PRO  11 -12.735   6.901   1.565
   78   1HG   PRO  11          HG2       PRO  11 -12.878   3.949   1.867
   79   2HG   PRO  11          HG1       PRO  11 -13.335   4.964   0.493
   80   1HD   PRO  11          HD2       PRO  11 -10.994   3.493   0.675
   81   2HD   PRO  11          HD1       PRO  11 -11.245   4.879  -0.402
   82    H    GLY  12           HN       GLY  12  -8.882   6.197   3.901
   83   1HA   GLY  12          HA2       GLY  12  -8.364   5.683   6.101
   84   2HA   GLY  12          HA1       GLY  12 -10.046   5.245   6.361
   85    H    ARG  13           HN       ARG  13  -8.377   3.840   3.685
   86    HA   ARG  13           HA       ARG  13  -8.316   1.278   5.125
   87   1HB   ARG  13          HB2       ARG  13  -8.068   0.951   2.274
   88   2HB   ARG  13          HB1       ARG  13  -9.303   0.326   3.362
   89   1HG   ARG  13          HG2       ARG  13  -9.343   3.095   2.175
   90   2HG   ARG  13          HG1       ARG  13 -10.176   1.698   1.484
   91   1HD   ARG  13          HD2       ARG  13 -10.627   2.719   4.285
   92   2HD   ARG  13          HD1       ARG  13 -11.612   3.178   2.896
   93    HE   ARG  13           HE       ARG  13 -11.726   0.722   4.364
   94   1HH1  ARG  13          HH11      ARG  13 -12.278   2.163   1.233
   95   2HH1  ARG  13          HH12      ARG  13 -13.438   0.972   0.751
   96   1HH2  ARG  13          HH21      ARG  13 -13.250  -0.845   3.729
   97   2HH2  ARG  13          HH22      ARG  13 -13.989  -0.736   2.167
   98    H    ALA  14           HN       ALA  14  -6.229   1.856   6.002
   99    HA   ALA  14           HA       ALA  14  -3.959   2.512   4.561
  100   1HB   ALA  14          HB1       ALA  14  -4.237   2.415   7.073
  101   2HB   ALA  14          HB2       ALA  14  -2.695   1.841   6.439
  102   3HB   ALA  14          HB3       ALA  14  -3.924   0.684   6.947
  103    H    PHE  15           HN       PHE  15  -3.082   1.511   2.886
  104    HA   PHE  15           HA       PHE  15  -2.590  -1.359   3.020
  105   1HB   PHE  15          HB2       PHE  15  -4.326  -0.013   0.990
  106   2HB   PHE  15          HB1       PHE  15  -3.327  -1.372   0.485
  107    HD1  PHE  15           HD1      PHE  15  -6.437  -0.426   1.796
  108    HD2  PHE  15           HD2      PHE  15  -3.502  -3.499   2.013
  109    HE1  PHE  15           HE1      PHE  15  -8.139  -1.985   2.650
  110    HE2  PHE  15           HE2      PHE  15  -5.198  -5.065   2.866
  111    HZ   PHE  15           HZ       PHE  15  -7.519  -4.308   3.186
  112    H    TYR  16           HN       TYR  16  -0.853   0.850   3.295
  113    HA   TYR  16           HA       TYR  16   0.618   0.966   0.767
  114   1HB   TYR  16          HB2       TYR  16   0.374   3.122   1.658
  115   2HB   TYR  16          HB1       TYR  16   0.683   2.581   3.303
  116    HD1  TYR  16           HD1      TYR  16   2.586   2.251   0.097
  117    HD2  TYR  16           HD2      TYR  16   2.573   3.602   4.130
  118    HE1  TYR  16           HE1      TYR  16   4.935   2.943  -0.132
  119    HE2  TYR  16           HE2      TYR  16   4.922   4.295   3.912
  120    HH   TYR  16           HH       TYR  16   6.893   3.698   2.487
  121    H    THR  17           HN       THR  17   2.103  -0.542   0.438
  122    HA   THR  17           HA       THR  17   3.796  -1.368   2.696
  123    HB   THR  17           HB       THR  17   3.693  -3.650   2.094
  124    HG1  THR  17           HG1      THR  17   2.546  -2.714  -0.303
  125   1HG2  THR  17          HG21      THR  17   1.325  -2.332   2.729
  126   2HG2  THR  17          HG22      THR  17   1.676  -4.053   2.897
  127   3HG2  THR  17          HG23      THR  17   0.909  -3.448   1.429
  128    H    THR  18           HN       THR  18   5.935  -1.515   2.282
  129    HA   THR  18           HA       THR  18   6.831  -1.159  -0.498
  130    HB   THR  18           HB       THR  18   8.529   0.372   0.209
  131    HG1  THR  18           HG1      THR  18   9.086  -0.521   2.187
  132   1HG2  THR  18          HG21      THR  18   6.706   1.715   1.926
  133   2HG2  THR  18          HG22      THR  18   5.813   0.979   0.595
  134   3HG2  THR  18          HG23      THR  18   7.145   2.084   0.258
  135    H    LYS  19           HN       LYS  19   6.798  -3.626  -0.037
  136    HA   LYS  19           HA       LYS  19   8.655  -4.856   1.628
  137   1HB   LYS  19          HB2       LYS  19   7.212  -5.636  -0.851
  138   2HB   LYS  19          HB1       LYS  19   8.581  -6.629  -0.370
  139   1HG   LYS  19          HG2       LYS  19   6.450  -5.950   1.611
  140   2HG   LYS  19          HG1       LYS  19   6.201  -7.245   0.438
  141   1HD   LYS  19          HD2       LYS  19   7.974  -8.513   1.290
  142   2HD   LYS  19          HD1       LYS  19   8.672  -7.131   2.138
  143   1HE   LYS  19          HE2       LYS  19   6.449  -7.144   3.468
  144   2HE   LYS  19          HE1       LYS  19   6.289  -8.791   2.863
  145   1HZ   LYS  19          HZ1       LYS  19   8.364  -7.683   4.649
  146   2HZ   LYS  19          HZ2       LYS  19   8.628  -9.112   3.785
  147   3HZ   LYS  19          HZ3       LYS  19   7.359  -9.021   4.899
  Start of MODEL   10
    1   1H    ARG   4          HT1       ARG   4   8.628  -6.923  -4.776
    2   2H    ARG   4          HT2       ARG   4   9.301  -5.383  -5.128
    3   3H    ARG   4          HT3       ARG   4   9.293  -6.613  -6.326
    4    HA   ARG   4           HA       ARG   4   7.616  -5.041  -6.800
    5   1HB   ARG   4          HB2       ARG   4   7.299  -7.519  -7.149
    6   2HB   ARG   4          HB1       ARG   4   6.389  -7.550  -5.645
    7   1HG   ARG   4          HG2       ARG   4   4.629  -6.329  -6.535
    8   2HG   ARG   4          HG1       ARG   4   5.610  -5.696  -7.858
    9   1HD   ARG   4          HD2       ARG   4   4.576  -7.282  -9.071
   10   2HD   ARG   4          HD1       ARG   4   5.767  -8.355  -8.338
   11    HE   ARG   4           HE       ARG   4   3.740  -8.386  -6.553
   12   1HH1  ARG   4          HH11      ARG   4   3.878  -8.906 -10.001
   13   2HH1  ARG   4          HH12      ARG   4   2.541 -10.006 -10.014
   14   1HH2  ARG   4          HH21      ARG   4   1.980  -9.832  -6.569
   15   2HH2  ARG   4          HH22      ARG   4   1.463 -10.532  -8.066
   16    H    LYS   5           HN       LYS   5   7.084  -3.243  -5.688
   17    HA   LYS   5           HA       LYS   5   5.886  -3.489  -3.038
   18   1HB   LYS   5          HB2       LYS   5   7.450  -1.821  -2.873
   19   2HB   LYS   5          HB1       LYS   5   7.285  -1.354  -4.558
   20   1HG   LYS   5          HG2       LYS   5   5.140  -0.266  -4.003
   21   2HG   LYS   5          HG1       LYS   5   5.419  -0.654  -2.305
   22   1HD   LYS   5          HD2       LYS   5   7.129   1.096  -4.069
   23   2HD   LYS   5          HD1       LYS   5   6.094   1.621  -2.743
   24   1HE   LYS   5          HE2       LYS   5   7.467   0.365  -1.168
   25   2HE   LYS   5          HE1       LYS   5   8.499  -0.176  -2.490
   26   1HZ   LYS   5          HZ1       LYS   5   9.701   1.604  -1.854
   27   2HZ   LYS   5          HZ2       LYS   5   8.383   2.411  -1.167
   28   3HZ   LYS   5          HZ3       LYS   5   8.617   2.448  -2.842
   29    H    ARG   6           HN       ARG   6   4.017  -2.029  -2.564
   30    HA   ARG   6           HA       ARG   6   2.368  -1.208  -4.751
   31   1HB   ARG   6          HB2       ARG   6   1.977  -3.688  -4.641
   32   2HB   ARG   6          HB1       ARG   6   1.327  -3.456  -3.018
   33   1HG   ARG   6          HG2       ARG   6  -0.642  -3.299  -4.062
   34   2HG   ARG   6          HG1       ARG   6  -0.126  -1.652  -4.440
   35   1HD   ARG   6          HD2       ARG   6  -0.853  -2.593  -6.479
   36   2HD   ARG   6          HD1       ARG   6   0.907  -2.594  -6.544
   37    HE   ARG   6           HE       ARG   6  -0.830  -4.930  -6.226
   38   1HH1  ARG   6          HH11      ARG   6   2.392  -3.621  -6.595
   39   2HH1  ARG   6          HH12      ARG   6   3.094  -5.150  -6.995
   40   1HH2  ARG   6          HH21      ARG   6   0.101  -6.933  -6.749
   41   2HH2  ARG   6          HH22      ARG   6   1.799  -7.028  -7.082
   42    H    ILE   7           HN       ILE   7   1.524   0.634  -4.078
   43    HA   ILE   7           HA       ILE   7   0.663   0.856  -1.267
   44    HB   ILE   7           HB       ILE   7   1.804   3.121  -2.903
   45   1HG1  ILE   7          HG12      ILE   7   3.211   1.754  -0.615
   46   2HG1  ILE   7          HG11      ILE   7   3.407   1.192  -2.279
   47   1HG2  ILE   7          HG21      ILE   7   1.062   2.853   0.004
   48   2HG2  ILE   7          HG22      ILE   7   0.312   3.897  -1.202
   49   3HG2  ILE   7          HG23      ILE   7   1.962   4.211  -0.668
   50   1HD1  ILE   7          HD11      ILE   7   3.830   4.075  -1.752
   51   2HD1  ILE   7          HD12      ILE   7   4.643   2.993  -2.881
   52   3HD1  ILE   7          HD13      ILE   7   5.048   2.944  -1.165
   53    H    HIS   8           HN       HIS   8  -1.407   1.377  -1.007
   54    HA   HIS   8           HA       HIS   8  -2.766   3.064  -2.943
   55   1HB   HIS   8          HB2       HIS   8  -3.414   0.170  -2.500
   56   2HB   HIS   8          HB1       HIS   8  -4.714   1.307  -2.878
   57    HD1  HIS   8           HD1      HIS   8  -4.116   2.809  -5.161
   58    HD2  HIS   8           HD2      HIS   8  -2.309  -0.905  -4.711
   59    HE1  HIS   8           HE1      HIS   8  -3.362   2.145  -7.465
   60    HE2  HIS   8           HE2      HIS   8  -2.188  -0.062  -7.152
   61    H    ILE   9           HN       ILE   9  -3.852   4.531  -1.822
   62    HA   ILE   9           HA       ILE   9  -4.815   3.814   0.869
   63    HB   ILE   9           HB       ILE   9  -4.282   6.601  -0.155
   64   1HG1  ILE   9          HG12      ILE   9  -2.313   6.244   1.616
   65   2HG1  ILE   9          HG11      ILE   9  -2.483   4.571   1.079
   66   1HG2  ILE   9          HG21      ILE   9  -4.243   5.943   2.721
   67   2HG2  ILE   9          HG22      ILE   9  -5.815   5.876   1.925
   68   3HG2  ILE   9          HG23      ILE   9  -4.870   7.365   1.888
   69   1HD1  ILE   9          HD11      ILE   9  -0.760   5.822  -0.153
   70   2HD1  ILE   9          HD12      ILE   9  -2.008   6.920  -0.741
   71   3HD1  ILE   9          HD13      ILE   9  -2.045   5.217  -1.197
   72    H    GLY  10           HN       GLY  10  -6.930   3.937   1.315
   73   1HA   GLY  10          HA2       GLY  10  -8.676   5.281  -0.655
   74   2HA   GLY  10          HA1       GLY  10  -9.075   3.705   0.022
   75    HA   PRO  11           HA       PRO  11 -11.200   6.703   2.744
   76   1HB   PRO  11          HB2       PRO  11 -13.458   5.279   3.086
   77   2HB   PRO  11          HB1       PRO  11 -13.170   6.252   1.638
   78   1HG   PRO  11          HG2       PRO  11 -12.930   3.304   2.013
   79   2HG   PRO  11          HG1       PRO  11 -13.547   4.213   0.624
   80   1HD   PRO  11          HD2       PRO  11 -11.013   3.127   0.790
   81   2HD   PRO  11          HD1       PRO  11 -11.467   4.471  -0.274
   82    H    GLY  12           HN       GLY  12  -9.264   5.745   4.025
   83   1HA   GLY  12          HA2       GLY  12  -8.801   5.211   6.261
   84   2HA   GLY  12          HA1       GLY  12 -10.391   4.470   6.392
   85    H    ARG  13           HN       ARG  13  -8.357   3.705   3.701
   86    HA   ARG  13           HA       ARG  13  -7.715   1.105   4.916
   87   1HB   ARG  13          HB2       ARG  13  -7.834   0.699   2.144
   88   2HB   ARG  13          HB1       ARG  13  -8.965   0.110   3.358
   89   1HG   ARG  13          HG2       ARG  13  -9.258   2.848   2.169
   90   2HG   ARG  13          HG1       ARG  13  -9.888   1.413   1.351
   91   1HD   ARG  13          HD2       ARG  13 -10.538   1.895   4.227
   92   2HD   ARG  13          HD1       ARG  13 -11.408   2.775   2.969
   93    HE   ARG  13           HE       ARG  13 -11.318  -0.071   2.556
   94   1HH1  ARG  13          HH11      ARG  13 -13.039   2.551   4.087
   95   2HH1  ARG  13          HH12      ARG  13 -14.535   1.685   4.172
   96   1HH2  ARG  13          HH21      ARG  13 -13.285  -1.213   2.670
   97   2HH2  ARG  13          HH22      ARG  13 -14.676  -0.452   3.369
   98    H    ALA  14           HN       ALA  14  -5.665   2.082   5.471
   99    HA   ALA  14           HA       ALA  14  -3.902   2.983   3.390
  100   1HB   ALA  14          HB1       ALA  14  -3.140   2.232   6.204
  101   2HB   ALA  14          HB2       ALA  14  -3.858   3.785   5.776
  102   3HB   ALA  14          HB3       ALA  14  -2.295   3.321   5.104
  103    H    PHE  15           HN       PHE  15  -3.234   1.523   1.935
  104    HA   PHE  15           HA       PHE  15  -2.291  -1.087   2.919
  105   1HB   PHE  15          HB2       PHE  15  -3.597  -0.235   0.368
  106   2HB   PHE  15          HB1       PHE  15  -2.500  -1.612   0.344
  107    HD1  PHE  15           HD1      PHE  15  -5.821  -0.567   0.865
  108    HD2  PHE  15           HD2      PHE  15  -2.959  -3.449   2.135
  109    HE1  PHE  15           HE1      PHE  15  -7.642  -2.021   1.654
  110    HE2  PHE  15           HE2      PHE  15  -4.774  -4.909   2.926
  111    HZ   PHE  15           HZ       PHE  15  -7.120  -4.195   2.685
  112    H    TYR  16           HN       TYR  16  -0.470   0.716   3.388
  113    HA   TYR  16           HA       TYR  16   1.311   1.025   1.105
  114   1HB   TYR  16          HB2       TYR  16   1.118   2.954   2.512
  115   2HB   TYR  16          HB1       TYR  16   1.431   2.006   3.961
  116    HD1  TYR  16           HD1      TYR  16   2.998   3.273   0.845
  117    HD2  TYR  16           HD2      TYR  16   3.628   1.697   4.746
  118    HE1  TYR  16           HE1      TYR  16   5.389   3.816   0.672
  119    HE2  TYR  16           HE2      TYR  16   6.022   2.236   4.583
  120    HH   TYR  16           HH       TYR  16   7.426   3.987   3.212
  121    H    THR  17           HN       THR  17   2.021  -1.054   0.674
  122    HA   THR  17           HA       THR  17   3.661  -2.301   2.783
  123    HB   THR  17           HB       THR  17   3.118  -4.454   1.941
  124    HG1  THR  17           HG1      THR  17   1.887  -4.701   0.032
  125   1HG2  THR  17          HG21      THR  17   1.292  -3.383   3.245
  126   2HG2  THR  17          HG22      THR  17   0.755  -4.634   2.124
  127   3HG2  THR  17          HG23      THR  17   0.537  -2.932   1.716
  128    H    THR  18           HN       THR  18   5.691  -1.671   2.336
  129    HA   THR  18           HA       THR  18   6.634  -1.666  -0.426
  130    HB   THR  18           HB       THR  18   8.512  -0.421   0.346
  131    HG1  THR  18           HG1      THR  18   7.687  -0.887   3.014
  132   1HG2  THR  18          HG21      THR  18   6.345   0.607   2.138
  133   2HG2  THR  18          HG22      THR  18   6.261   0.766   0.384
  134   3HG2  THR  18          HG23      THR  18   7.591   1.507   1.273
  135    H    LYS  19           HN       LYS  19   7.848  -2.844   2.717
  136    HA   LYS  19           HA       LYS  19   9.308  -4.524   3.230
  137   1HB   LYS  19          HB2       LYS  19   8.570  -6.718   2.546
  138   2HB   LYS  19          HB1       LYS  19   7.165  -5.716   2.879
  139   1HG   LYS  19          HG2       LYS  19   6.734  -5.423   0.549
  140   2HG   LYS  19          HG1       LYS  19   8.257  -6.204   0.119
  141   1HD   LYS  19          HD2       LYS  19   7.482  -8.317   0.921
  142   2HD   LYS  19          HD1       LYS  19   6.044  -7.581   1.630
  143   1HE   LYS  19          HE2       LYS  19   5.827  -6.799  -0.966
  144   2HE   LYS  19          HE1       LYS  19   6.590  -8.378  -1.141
  145   1HZ   LYS  19          HZ1       LYS  19   4.788  -9.241   0.351
  146   2HZ   LYS  19          HZ2       LYS  19   4.275  -8.732  -1.177
  147   3HZ   LYS  19          HZ3       LYS  19   4.011  -7.749   0.172
  Start of MODEL   11
    1   1H    ARG   4          HT1       ARG   4   9.479  -4.712  -6.015
    2   2H    ARG   4          HT2       ARG   4   9.723  -6.403  -6.179
    3   3H    ARG   4          HT3       ARG   4   9.543  -5.707  -4.621
    4    HA   ARG   4           HA       ARG   4   7.459  -5.543  -6.676
    5   1HB   ARG   4          HB2       ARG   4   6.435  -7.486  -5.447
    6   2HB   ARG   4          HB1       ARG   4   7.870  -7.881  -6.383
    7   1HG   ARG   4          HG2       ARG   4   9.139  -8.293  -4.532
    8   2HG   ARG   4          HG1       ARG   4   8.210  -7.190  -3.514
    9   1HD   ARG   4          HD2       ARG   4   6.326  -8.794  -3.569
   10   2HD   ARG   4          HD1       ARG   4   7.336  -9.907  -4.492
   11    HE   ARG   4           HE       ARG   4   8.776  -9.329  -2.228
   12   1HH1  ARG   4          HH11      ARG   4   5.629 -10.675  -2.910
   13   2HH1  ARG   4          HH12      ARG   4   5.605 -11.662  -1.487
   14   1HH2  ARG   4          HH21      ARG   4   8.746 -10.626  -0.356
   15   2HH2  ARG   4          HH22      ARG   4   7.374 -11.634  -0.037
   16    H    LYS   5           HN       LYS   5   7.330  -3.364  -5.693
   17    HA   LYS   5           HA       LYS   5   6.257  -3.328  -2.975
   18   1HB   LYS   5          HB2       LYS   5   7.904  -1.687  -3.169
   19   2HB   LYS   5          HB1       LYS   5   7.433  -1.271  -4.809
   20   1HG   LYS   5          HG2       LYS   5   5.653   0.020  -4.109
   21   2HG   LYS   5          HG1       LYS   5   5.602  -0.732  -2.515
   22   1HD   LYS   5          HD2       LYS   5   8.050   0.289  -2.378
   23   2HD   LYS   5          HD1       LYS   5   7.372   1.418  -3.553
   24   1HE   LYS   5          HE2       LYS   5   5.568   1.960  -2.020
   25   2HE   LYS   5          HE1       LYS   5   6.178   0.785  -0.857
   26   1HZ   LYS   5          HZ1       LYS   5   8.144   2.083  -0.553
   27   2HZ   LYS   5          HZ2       LYS   5   6.811   3.106  -0.360
   28   3HZ   LYS   5          HZ3       LYS   5   7.709   3.151  -1.792
   29    H    ARG   6           HN       ARG   6   4.284  -2.219  -2.521
   30    HA   ARG   6           HA       ARG   6   2.572  -1.457  -4.714
   31   1HB   ARG   6          HB2       ARG   6   2.476  -4.082  -4.113
   32   2HB   ARG   6          HB1       ARG   6   1.305  -3.472  -2.942
   33   1HG   ARG   6          HG2       ARG   6  -0.239  -3.099  -4.511
   34   2HG   ARG   6          HG1       ARG   6   0.933  -2.399  -5.632
   35   1HD   ARG   6          HD2       ARG   6   1.157  -5.304  -5.204
   36   2HD   ARG   6          HD1       ARG   6  -0.313  -4.769  -6.015
   37    HE   ARG   6           HE       ARG   6   2.358  -4.751  -7.073
   38   1HH1  ARG   6          HH11      ARG   6  -0.815  -3.316  -7.295
   39   2HH1  ARG   6          HH12      ARG   6  -0.607  -2.808  -8.937
   40   1HH2  ARG   6          HH21      ARG   6   2.634  -4.084  -9.233
   41   2HH2  ARG   6          HH22      ARG   6   1.351  -3.244 -10.039
   42    H    ILE   7           HN       ILE   7   1.317   0.188  -4.105
   43    HA   ILE   7           HA       ILE   7   0.559   0.444  -1.285
   44    HB   ILE   7           HB       ILE   7   1.334   2.960  -2.653
   45   1HG1  ILE   7          HG12      ILE   7   3.701   2.578  -1.658
   46   2HG1  ILE   7          HG11      ILE   7   3.284   0.861  -1.728
   47   1HG2  ILE   7          HG21      ILE   7   1.950   3.612  -0.405
   48   2HG2  ILE   7          HG22      ILE   7   1.682   1.963   0.160
   49   3HG2  ILE   7          HG23      ILE   7   0.324   2.924  -0.422
   50   1HD1  ILE   7          HD11      ILE   7   4.525   2.155  -3.703
   51   2HD1  ILE   7          HD12      ILE   7   2.853   2.427  -4.193
   52   3HD1  ILE   7          HD13      ILE   7   3.452   0.783  -3.976
   53    H    HIS   8           HN       HIS   8  -1.516   0.939  -1.043
   54    HA   HIS   8           HA       HIS   8  -2.903   2.552  -3.021
   55   1HB   HIS   8          HB2       HIS   8  -4.804   0.720  -2.907
   56   2HB   HIS   8          HB1       HIS   8  -3.491   0.594  -4.083
   57    HD1  HIS   8           HD1      HIS   8  -4.762  -0.939  -0.900
   58    HD2  HIS   8           HD2      HIS   8  -1.767  -1.559  -3.714
   59    HE1  HIS   8           HE1      HIS   8  -3.816  -3.213  -0.387
   60    HE2  HIS   8           HE2      HIS   8  -1.940  -3.523  -2.040
   61    H    ILE   9           HN       ILE   9  -3.849   4.063  -1.833
   62    HA   ILE   9           HA       ILE   9  -4.977   3.302   0.780
   63    HB   ILE   9           HB       ILE   9  -4.220   6.088  -0.091
   64   1HG1  ILE   9          HG12      ILE   9  -2.375   5.460   1.786
   65   2HG1  ILE   9          HG11      ILE   9  -2.590   3.881   1.027
   66   1HG2  ILE   9          HG21      ILE   9  -4.120   6.087   2.599
   67   2HG2  ILE   9          HG22      ILE   9  -5.379   4.880   2.334
   68   3HG2  ILE   9          HG23      ILE   9  -5.562   6.504   1.673
   69   1HD1  ILE   9          HD11      ILE   9  -2.309   5.363  -1.169
   70   2HD1  ILE   9          HD12      ILE   9  -0.943   4.668  -0.297
   71   3HD1  ILE   9          HD13      ILE   9  -1.386   6.356  -0.039
   72    H    GLY  10           HN       GLY  10  -7.060   3.862   1.299
   73   1HA   GLY  10          HA2       GLY  10  -8.643   5.125  -0.855
   74   2HA   GLY  10          HA1       GLY  10  -9.227   3.732   0.049
   75    HA   PRO  11           HA       PRO  11 -10.963   7.391   2.208
   76   1HB   PRO  11          HB2       PRO  11 -13.359   6.290   2.775
   77   2HB   PRO  11          HB1       PRO  11 -12.995   6.997   1.196
   78   1HG   PRO  11          HG2       PRO  11 -13.008   4.124   2.023
   79   2HG   PRO  11          HG1       PRO  11 -13.626   4.864   0.536
   80   1HD   PRO  11          HD2       PRO  11 -11.213   3.594   0.698
   81   2HD   PRO  11          HD1       PRO  11 -11.556   4.900  -0.452
   82    H    GLY  12           HN       GLY  12  -9.095   6.305   3.589
   83   1HA   GLY  12          HA2       GLY  12  -8.632   6.091   5.880
   84   2HA   GLY  12          HA1       GLY  12 -10.320   5.684   6.160
   85    H    ARG  13           HN       ARG  13  -8.548   4.110   3.633
   86    HA   ARG  13           HA       ARG  13  -8.506   1.647   5.244
   87   1HB   ARG  13          HB2       ARG  13  -8.309   1.050   2.453
   88   2HB   ARG  13          HB1       ARG  13  -9.575   0.599   3.589
   89   1HG   ARG  13          HG2       ARG  13  -9.527   3.273   2.215
   90   2HG   ARG  13          HG1       ARG  13 -10.287   1.846   1.504
   91   1HD   ARG  13          HD2       ARG  13 -11.048   2.372   4.287
   92   2HD   ARG  13          HD1       ARG  13 -11.523   3.631   3.148
   93    HE   ARG  13           HE       ARG  13 -12.928   2.113   2.068
   94   1HH1  ARG  13          HH11      ARG  13 -11.210   0.580   4.700
   95   2HH1  ARG  13          HH12      ARG  13 -12.253  -0.799   4.736
   96   1HH2  ARG  13          HH21      ARG  13 -14.292   0.297   2.120
   97   2HH2  ARG  13          HH22      ARG  13 -14.000  -0.962   3.273
   98    H    ALA  14           HN       ALA  14  -6.406   2.192   6.041
   99    HA   ALA  14           HA       ALA  14  -4.179   2.757   4.443
  100   1HB   ALA  14          HB1       ALA  14  -2.930   2.575   6.351
  101   2HB   ALA  14          HB2       ALA  14  -3.821   1.170   6.935
  102   3HB   ALA  14          HB3       ALA  14  -4.534   2.779   7.053
  103    H    PHE  15           HN       PHE  15  -2.785   1.541   3.298
  104    HA   PHE  15           HA       PHE  15  -2.537  -1.291   3.643
  105   1HB   PHE  15          HB2       PHE  15  -4.130  -0.182   1.357
  106   2HB   PHE  15          HB1       PHE  15  -3.186  -1.651   1.134
  107    HD1  PHE  15           HD1      PHE  15  -3.518  -3.346   3.245
  108    HD2  PHE  15           HD2      PHE  15  -6.343  -0.505   1.811
  109    HE1  PHE  15           HE1      PHE  15  -5.344  -4.668   4.232
  110    HE2  PHE  15           HE2      PHE  15  -8.174  -1.822   2.796
  111    HZ   PHE  15           HZ       PHE  15  -7.675  -3.906   4.008
  112    H    TYR  16           HN       TYR  16  -0.614   0.543   3.890
  113    HA   TYR  16           HA       TYR  16   0.826   0.803   1.377
  114   1HB   TYR  16          HB2       TYR  16   0.646   2.579   3.267
  115   2HB   TYR  16          HB1       TYR  16   1.902   1.631   4.056
  116    HD1  TYR  16           HD1      TYR  16   1.571   4.529   2.489
  117    HD2  TYR  16           HD2      TYR  16   3.700   0.891   1.917
  118    HE1  TYR  16           HE1      TYR  16   3.266   5.734   1.177
  119    HE2  TYR  16           HE2      TYR  16   5.399   2.084   0.603
  120    HH   TYR  16           HH       TYR  16   5.335   4.375  -0.842
  121    H    THR  17           HN       THR  17   2.038  -0.816   0.684
  122    HA   THR  17           HA       THR  17   3.575  -2.371   2.656
  123    HB   THR  17           HB       THR  17   3.241  -4.380   1.333
  124    HG1  THR  17           HG1      THR  17   3.042  -3.413  -0.713
  125   1HG2  THR  17          HG21      THR  17   0.473  -3.941   1.255
  126   2HG2  THR  17          HG22      THR  17   1.091  -3.026   2.629
  127   3HG2  THR  17          HG23      THR  17   1.411  -4.756   2.506
  128    H    THR  18           HN       THR  18   5.686  -2.752   2.179
  129    HA   THR  18           HA       THR  18   6.666  -1.949  -0.472
  130    HB   THR  18           HB       THR  18   8.403  -0.629   0.410
  131    HG1  THR  18           HG1      THR  18   9.310  -1.267   2.171
  132   1HG2  THR  18          HG21      THR  18   5.823   0.088   1.002
  133   2HG2  THR  18          HG22      THR  18   7.244   1.128   1.114
  134   3HG2  THR  18          HG23      THR  18   6.659   0.278   2.544
  135    H    LYS  19           HN       LYS  19   9.322  -2.401  -0.168
  136    HA   LYS  19           HA       LYS  19   9.432  -5.269   0.499
  137   1HB   LYS  19          HB2       LYS  19   9.675  -4.841  -1.899
  138   2HB   LYS  19          HB1       LYS  19  11.001  -3.733  -1.579
  139   1HG   LYS  19          HG2       LYS  19  11.762  -5.933  -2.361
  140   2HG   LYS  19          HG1       LYS  19  12.371  -5.534  -0.753
  141   1HD   LYS  19          HD2       LYS  19  11.040  -7.101   0.285
  142   2HD   LYS  19          HD1       LYS  19   9.835  -7.085  -1.004
  143   1HE   LYS  19          HE2       LYS  19  11.173  -9.177  -0.908
  144   2HE   LYS  19          HE1       LYS  19  11.279  -8.334  -2.453
  145   1HZ   LYS  19          HZ1       LYS  19  13.306  -8.336  -0.284
  146   2HZ   LYS  19          HZ2       LYS  19  13.396  -7.363  -1.664
  147   3HZ   LYS  19          HZ3       LYS  19  13.451  -9.046  -1.812
  Start of MODEL   12
    1   1H    ARG   4          HT1       ARG   4   9.662  -6.377  -4.614
    2   2H    ARG   4          HT2       ARG   4   9.718  -4.692  -4.932
    3   3H    ARG   4          HT3       ARG   4   9.982  -5.816  -6.202
    4    HA   ARG   4           HA       ARG   4   7.854  -5.102  -6.531
    5   1HB   ARG   4          HB2       ARG   4   8.303  -7.622  -6.347
    6   2HB   ARG   4          HB1       ARG   4   7.478  -7.537  -4.797
    7   1HG   ARG   4          HG2       ARG   4   6.020  -8.271  -6.647
    8   2HG   ARG   4          HG1       ARG   4   5.450  -6.805  -5.848
    9   1HD   ARG   4          HD2       ARG   4   5.309  -6.759  -8.346
   10   2HD   ARG   4          HD1       ARG   4   6.228  -5.434  -7.634
   11    HE   ARG   4           HE       ARG   4   7.981  -7.533  -8.288
   12   1HH1  ARG   4          HH11      ARG   4   5.999  -5.108  -9.830
   13   2HH1  ARG   4          HH12      ARG   4   7.004  -5.003 -11.237
   14   1HH2  ARG   4          HH21      ARG   4   9.303  -7.395 -10.137
   15   2HH2  ARG   4          HH22      ARG   4   8.879  -6.300 -11.412
   16    H    LYS   5           HN       LYS   5   7.273  -3.216  -5.474
   17    HA   LYS   5           HA       LYS   5   6.169  -3.487  -2.770
   18   1HB   LYS   5          HB2       LYS   5   7.657  -1.744  -2.611
   19   2HB   LYS   5          HB1       LYS   5   7.455  -1.278  -4.292
   20   1HG   LYS   5          HG2       LYS   5   5.264  -0.311  -3.730
   21   2HG   LYS   5          HG1       LYS   5   5.551  -0.705  -2.034
   22   1HD   LYS   5          HD2       LYS   5   7.359   1.042  -3.698
   23   2HD   LYS   5          HD1       LYS   5   6.078   1.657  -2.653
   24   1HE   LYS   5          HE2       LYS   5   7.252   1.278  -0.773
   25   2HE   LYS   5          HE1       LYS   5   7.922  -0.237  -1.377
   26   1HZ   LYS   5          HZ1       LYS   5   9.406   1.892  -1.022
   27   2HZ   LYS   5          HZ2       LYS   5   8.875   2.247  -2.588
   28   3HZ   LYS   5          HZ3       LYS   5   9.706   0.806  -2.285
   29    H    ARG   6           HN       ARG   6   4.206  -2.185  -2.318
   30    HA   ARG   6           HA       ARG   6   2.546  -1.495  -4.562
   31   1HB   ARG   6          HB2       ARG   6   0.717  -3.014  -4.032
   32   2HB   ARG   6          HB1       ARG   6   2.181  -3.925  -4.406
   33   1HG   ARG   6          HG2       ARG   6   2.576  -4.246  -2.003
   34   2HG   ARG   6          HG1       ARG   6   1.080  -3.370  -1.655
   35   1HD   ARG   6          HD2       ARG   6  -0.007  -5.119  -3.234
   36   2HD   ARG   6          HD1       ARG   6   1.452  -6.057  -2.919
   37    HE   ARG   6           HE       ARG   6  -0.708  -5.517  -1.080
   38   1HH1  ARG   6          HH11      ARG   6   2.621  -6.512  -1.422
   39   2HH1  ARG   6          HH12      ARG   6   2.659  -7.339   0.099
   40   1HH2  ARG   6          HH21      ARG   6  -0.658  -6.604   0.919
   41   2HH2  ARG   6          HH22      ARG   6   0.798  -7.393   1.427
   42    H    ILE   7           HN       ILE   7   1.565   0.319  -4.023
   43    HA   ILE   7           HA       ILE   7   0.895   0.773  -1.187
   44    HB   ILE   7           HB       ILE   7   1.334   3.026  -3.116
   45   1HG1  ILE   7          HG12      ILE   7   3.702   2.949  -1.792
   46   2HG1  ILE   7          HG11      ILE   7   3.378   1.219  -1.961
   47   1HG2  ILE   7          HG21      ILE   7   0.604   4.043  -1.252
   48   2HG2  ILE   7          HG22      ILE   7   2.259   3.808  -0.688
   49   3HG2  ILE   7          HG23      ILE   7   0.998   2.666  -0.223
   50   1HD1  ILE   7          HD11      ILE   7   2.862   2.063  -4.468
   51   2HD1  ILE   7          HD12      ILE   7   4.436   1.490  -3.917
   52   3HD1  ILE   7          HD13      ILE   7   4.101   3.220  -3.984
   53    H    HIS   8           HN       HIS   8  -1.206   0.891  -0.776
   54    HA   HIS   8           HA       HIS   8  -2.999   2.001  -2.822
   55   1HB   HIS   8          HB2       HIS   8  -3.700  -0.423  -1.157
   56   2HB   HIS   8          HB1       HIS   8  -4.625   0.270  -2.494
   57    HD1  HIS   8           HD1      HIS   8  -2.832  -2.601  -1.920
   58    HD2  HIS   8           HD2      HIS   8  -2.546   0.293  -4.887
   59    HE1  HIS   8           HE1      HIS   8  -1.668  -3.725  -3.844
   60    HE2  HIS   8           HE2      HIS   8  -1.427  -1.929  -5.595
   61    H    ILE   9           HN       ILE   9  -4.313   3.526  -2.055
   62    HA   ILE   9           HA       ILE   9  -4.892   3.570   0.831
   63    HB   ILE   9           HB       ILE   9  -4.346   6.049  -0.796
   64   1HG1  ILE   9          HG12      ILE   9  -2.295   5.925   0.981
   65   2HG1  ILE   9          HG11      ILE   9  -2.516   4.211   0.621
   66   1HG2  ILE   9          HG21      ILE   9  -4.129   7.047   1.503
   67   2HG2  ILE   9          HG22      ILE   9  -4.779   5.534   2.136
   68   3HG2  ILE   9          HG23      ILE   9  -5.753   6.528   1.052
   69   1HD1  ILE   9          HD11      ILE   9  -2.131   6.339  -1.468
   70   2HD1  ILE   9          HD12      ILE   9  -2.143   4.592  -1.707
   71   3HD1  ILE   9          HD13      ILE   9  -0.834   5.349  -0.800
   72    H    GLY  10           HN       GLY  10  -7.008   3.122   0.926
   73   1HA   GLY  10          HA2       GLY  10  -8.807   4.284  -1.083
   74   2HA   GLY  10          HA1       GLY  10  -9.200   2.965   0.017
   75    HA   PRO  11           HA       PRO  11 -11.193   6.662   1.832
   76   1HB   PRO  11          HB2       PRO  11 -13.388   5.386   2.761
   77   2HB   PRO  11          HB1       PRO  11 -13.239   5.941   1.089
   78   1HG   PRO  11          HG2       PRO  11 -12.896   3.201   2.212
   79   2HG   PRO  11          HG1       PRO  11 -13.647   3.704   0.690
   80   1HD   PRO  11          HD2       PRO  11 -11.103   2.691   0.887
   81   2HD   PRO  11          HD1       PRO  11 -11.647   3.766  -0.415
   82    H    GLY  12           HN       GLY  12  -9.135   6.079   3.184
   83   1HA   GLY  12          HA2       GLY  12  -8.482   6.266   5.425
   84   2HA   GLY  12          HA1       GLY  12 -10.073   5.694   5.914
   85    H    ARG  13           HN       ARG  13  -8.304   3.982   3.482
   86    HA   ARG  13           HA       ARG  13  -7.898   1.780   5.385
   87   1HB   ARG  13          HB2       ARG  13  -7.611   1.051   2.583
   88   2HB   ARG  13          HB1       ARG  13  -8.644   0.352   3.823
   89   1HG   ARG  13          HG2       ARG  13  -9.272   2.797   2.172
   90   2HG   ARG  13          HG1       ARG  13  -9.940   1.179   1.932
   91   1HD   ARG  13          HD2       ARG  13 -10.484   3.165   4.094
   92   2HD   ARG  13          HD1       ARG  13 -11.615   2.227   3.122
   93    HE   ARG  13           HE       ARG  13 -10.425   0.304   4.538
   94   1HH1  ARG  13          HH11      ARG  13 -11.762   3.374   5.532
   95   2HH1  ARG  13          HH12      ARG  13 -12.174   2.818   7.118
   96   1HH2  ARG  13          HH21      ARG  13 -10.967  -0.424   6.622
   97   2HH2  ARG  13          HH22      ARG  13 -11.724   0.663   7.738
   98    H    ALA  14           HN       ALA  14  -5.900   2.728   6.114
   99    HA   ALA  14           HA       ALA  14  -3.724   3.347   4.472
  100   1HB   ALA  14          HB1       ALA  14  -3.630   2.255   7.282
  101   2HB   ALA  14          HB2       ALA  14  -3.885   3.948   6.857
  102   3HB   ALA  14          HB3       ALA  14  -2.358   3.161   6.461
  103    H    PHE  15           HN       PHE  15  -3.593   1.748   2.848
  104    HA   PHE  15           HA       PHE  15  -2.581  -0.863   3.762
  105   1HB   PHE  15          HB2       PHE  15  -4.174  -0.074   1.336
  106   2HB   PHE  15          HB1       PHE  15  -3.232  -1.561   1.357
  107    HD1  PHE  15           HD1      PHE  15  -6.392  -0.705   1.410
  108    HD2  PHE  15           HD2      PHE  15  -3.619  -2.537   4.069
  109    HE1  PHE  15           HE1      PHE  15  -8.247  -1.858   2.545
  110    HE2  PHE  15           HE2      PHE  15  -5.469  -3.693   5.208
  111    HZ   PHE  15           HZ       PHE  15  -7.786  -3.355   4.446
  112    H    TYR  16           HN       TYR  16  -0.600   0.693   3.929
  113    HA   TYR  16           HA       TYR  16   0.789   0.862   1.349
  114   1HB   TYR  16          HB2       TYR  16   0.716   2.938   2.624
  115   2HB   TYR  16          HB1       TYR  16   1.421   2.133   4.021
  116    HD1  TYR  16           HD1      TYR  16   3.351   3.496   4.260
  117    HD2  TYR  16           HD2      TYR  16   2.523   1.630   0.527
  118    HE1  TYR  16           HE1      TYR  16   5.602   4.090   3.470
  119    HE2  TYR  16           HE2      TYR  16   4.773   2.218  -0.272
  120    HH   TYR  16           HH       TYR  16   6.901   2.848   0.502
  121    H    THR  17           HN       THR  17   1.949  -0.888   0.873
  122    HA   THR  17           HA       THR  17   3.626  -2.053   2.989
  123    HB   THR  17           HB       THR  17   3.179  -4.222   1.440
  124    HG1  THR  17           HG1      THR  17   1.059  -4.272   0.812
  125   1HG2  THR  17          HG21      THR  17   0.981  -3.970   3.297
  126   2HG2  THR  17          HG22      THR  17   2.517  -3.483   4.014
  127   3HG2  THR  17          HG23      THR  17   2.346  -5.086   3.300
  128    H    THR  18           HN       THR  18   5.661  -1.668   2.460
  129    HA   THR  18           HA       THR  18   6.448  -1.414  -0.328
  130    HB   THR  18           HB       THR  18   8.496  -0.495   0.486
  131    HG1  THR  18           HG1      THR  18   9.248  -0.823   2.467
  132   1HG2  THR  18          HG21      THR  18   7.799   1.402   1.535
  133   2HG2  THR  18          HG22      THR  18   6.699   0.540   2.610
  134   3HG2  THR  18          HG23      THR  18   6.260   0.799   0.922
  135    H    LYS  19           HN       LYS  19   9.033  -2.260  -0.332
  136    HA   LYS  19           HA       LYS  19  10.337  -4.094  -0.660
  137   1HB   LYS  19          HB2       LYS  19  10.214  -4.275   1.785
  138   2HB   LYS  19          HB1       LYS  19   8.734  -5.213   1.645
  139   1HG   LYS  19          HG2       LYS  19  10.191  -6.922   1.883
  140   2HG   LYS  19          HG1       LYS  19  10.307  -6.732   0.133
  141   1HD   LYS  19          HD2       LYS  19  12.179  -4.972   0.881
  142   2HD   LYS  19          HD1       LYS  19  12.267  -6.078   2.253
  143   1HE   LYS  19          HE2       LYS  19  12.493  -6.870  -0.648
  144   2HE   LYS  19          HE1       LYS  19  13.848  -6.674   0.463
  145   1HZ   LYS  19          HZ1       LYS  19  11.732  -8.461   1.340
  146   2HZ   LYS  19          HZ2       LYS  19  13.410  -8.619   1.479
  147   3HZ   LYS  19          HZ3       LYS  19  12.644  -8.998   0.018
  Start of MODEL   13
    1   1H    ARG   4          HT1       ARG   4   7.425  -5.750  -7.702
    2   2H    ARG   4          HT2       ARG   4   7.977  -4.628  -6.526
    3   3H    ARG   4          HT3       ARG   4   6.329  -4.630  -7.008
    4    HA   ARG   4           HA       ARG   4   6.303  -7.003  -6.199
    5   1HB   ARG   4          HB2       ARG   4   8.643  -5.948  -4.609
    6   2HB   ARG   4          HB1       ARG   4   7.963  -7.569  -4.566
    7   1HG   ARG   4          HG2       ARG   4   8.847  -8.116  -6.669
    8   2HG   ARG   4          HG1       ARG   4   9.187  -6.427  -7.054
    9   1HD   ARG   4          HD2       ARG   4  10.497  -7.777  -4.721
   10   2HD   ARG   4          HD1       ARG   4  11.141  -7.958  -6.353
   11    HE   ARG   4           HE       ARG   4  11.282  -5.625  -4.680
   12   1HH1  ARG   4          HH11      ARG   4  11.351  -6.798  -7.967
   13   2HH1  ARG   4          HH12      ARG   4  12.240  -5.438  -8.565
   14   1HH2  ARG   4          HH21      ARG   4  12.450  -3.834  -5.468
   15   2HH2  ARG   4          HH22      ARG   4  12.864  -3.755  -7.148
   16    H    LYS   5           HN       LYS   5   7.092  -3.849  -4.823
   17    HA   LYS   5           HA       LYS   5   5.411  -4.261  -2.517
   18   1HB   LYS   5          HB2       LYS   5   6.412  -2.437  -1.660
   19   2HB   LYS   5          HB1       LYS   5   7.562  -2.680  -2.962
   20   1HG   LYS   5          HG2       LYS   5   6.158  -1.096  -4.338
   21   2HG   LYS   5          HG1       LYS   5   5.269  -0.737  -2.859
   22   1HD   LYS   5          HD2       LYS   5   7.165   0.845  -3.494
   23   2HD   LYS   5          HD1       LYS   5   7.140   0.245  -1.839
   24   1HE   LYS   5          HE2       LYS   5   9.003  -1.038  -2.130
   25   2HE   LYS   5          HE1       LYS   5   8.683  -1.305  -3.843
   26   1HZ   LYS   5          HZ1       LYS   5   9.547   1.313  -2.756
   27   2HZ   LYS   5          HZ2       LYS   5   9.503   0.828  -4.376
   28   3HZ   LYS   5          HZ3       LYS   5  10.636   0.147  -3.320
   29    H    ARG   6           HN       ARG   6   3.869  -2.291  -2.029
   30    HA   ARG   6           HA       ARG   6   2.468  -1.239  -4.284
   31   1HB   ARG   6          HB2       ARG   6   0.269  -2.407  -3.279
   32   2HB   ARG   6          HB1       ARG   6   1.212  -3.108  -4.595
   33   1HG   ARG   6          HG2       ARG   6   1.926  -4.831  -3.339
   34   2HG   ARG   6          HG1       ARG   6   2.092  -3.842  -1.883
   35   1HD   ARG   6          HD2       ARG   6  -0.023  -4.262  -1.196
   36   2HD   ARG   6          HD1       ARG   6  -0.663  -4.308  -2.838
   37    HE   ARG   6           HE       ARG   6  -0.472  -6.570  -2.759
   38   1HH1  ARG   6          HH11      ARG   6   1.810  -5.228  -0.486
   39   2HH1  ARG   6          HH12      ARG   6   2.332  -6.773   0.093
   40   1HH2  ARG   6          HH21      ARG   6   0.211  -8.603  -1.995
   41   2HH2  ARG   6          HH22      ARG   6   1.426  -8.690  -0.763
   42    H    ILE   7           HN       ILE   7   1.768   0.697  -3.706
   43    HA   ILE   7           HA       ILE   7   0.938   1.131  -0.913
   44    HB   ILE   7           HB       ILE   7   2.373   3.221  -2.534
   45   1HG1  ILE   7          HG12      ILE   7   4.045   2.248  -0.447
   46   2HG1  ILE   7          HG11      ILE   7   3.498   0.851  -1.382
   47   1HG2  ILE   7          HG21      ILE   7   1.491   4.433  -0.860
   48   2HG2  ILE   7          HG22      ILE   7   2.838   3.776   0.068
   49   3HG2  ILE   7          HG23      ILE   7   1.247   3.023   0.172
   50   1HD1  ILE   7          HD11      ILE   7   5.615   2.497  -1.985
   51   2HD1  ILE   7          HD12      ILE   7   4.341   3.054  -3.070
   52   3HD1  ILE   7          HD13      ILE   7   4.830   1.359  -3.081
   53    H    HIS   8           HN       HIS   8  -1.172   1.553  -0.938
   54    HA   HIS   8           HA       HIS   8  -2.176   3.658  -2.668
   55   1HB   HIS   8          HB2       HIS   8  -4.175   2.169  -3.279
   56   2HB   HIS   8          HB1       HIS   8  -2.656   1.882  -4.135
   57    HD1  HIS   8           HD1      HIS   8  -5.267   0.114  -2.480
   58    HD2  HIS   8           HD2      HIS   8  -1.147  -0.347  -2.758
   59    HE1  HIS   8           HE1      HIS   8  -4.816  -2.277  -1.851
   60    HE2  HIS   8           HE2      HIS   8  -2.328  -2.562  -2.133
   61    H    ILE   9           HN       ILE   9  -3.535   4.925  -1.586
   62    HA   ILE   9           HA       ILE   9  -4.623   3.934   0.958
   63    HB   ILE   9           HB       ILE   9  -4.393   6.810   0.073
   64   1HG1  ILE   9          HG12      ILE   9  -2.478   6.770   1.820
   65   2HG1  ILE   9          HG11      ILE   9  -2.471   5.026   1.547
   66   1HG2  ILE   9          HG21      ILE   9  -4.721   5.674   2.843
   67   2HG2  ILE   9          HG22      ILE   9  -6.065   6.222   1.840
   68   3HG2  ILE   9          HG23      ILE   9  -4.822   7.364   2.351
   69   1HD1  ILE   9          HD11      ILE   9  -1.669   5.229  -0.586
   70   2HD1  ILE   9          HD12      ILE   9  -0.885   6.599   0.201
   71   3HD1  ILE   9          HD13      ILE   9  -2.318   6.856  -0.794
   72    H    GLY  10           HN       GLY  10  -6.759   3.717   1.239
   73   1HA   GLY  10          HA2       GLY  10  -8.537   4.908  -0.802
   74   2HA   GLY  10          HA1       GLY  10  -8.782   3.288  -0.159
   75    HA   PRO  11           HA       PRO  11 -11.576   6.030   2.273
   76   1HB   PRO  11          HB2       PRO  11 -13.138   3.541   2.469
   77   2HB   PRO  11          HB1       PRO  11 -13.633   5.133   1.888
   78   1HG   PRO  11          HG2       PRO  11 -13.306   3.059   0.215
   79   2HG   PRO  11          HG1       PRO  11 -12.914   4.721  -0.264
   80   1HD   PRO  11          HD2       PRO  11 -11.080   2.517   0.610
   81   2HD   PRO  11          HD1       PRO  11 -10.877   3.695  -0.705
   82    H    GLY  12           HN       GLY  12  -9.426   5.458   3.593
   83   1HA   GLY  12          HA2       GLY  12  -8.810   5.140   5.815
   84   2HA   GLY  12          HA1       GLY  12 -10.368   4.378   6.108
   85    H    ARG  13           HN       ARG  13  -8.476   3.312   3.428
   86    HA   ARG  13           HA       ARG  13  -7.749   0.880   4.918
   87   1HB   ARG  13          HB2       ARG  13  -7.796   0.202   2.201
   88   2HB   ARG  13          HB1       ARG  13  -8.960  -0.270   3.433
   89   1HG   ARG  13          HG2       ARG  13  -9.231   2.326   1.954
   90   2HG   ARG  13          HG1       ARG  13  -9.832   0.807   1.280
   91   1HD   ARG  13          HD2       ARG  13 -10.594   1.941   3.968
   92   2HD   ARG  13          HD1       ARG  13 -11.565   2.073   2.499
   93    HE   ARG  13           HE       ARG  13 -11.388  -0.174   4.237
   94   1HH1  ARG  13          HH11      ARG  13 -11.801   0.720   0.889
   95   2HH1  ARG  13          HH12      ARG  13 -12.669  -0.721   0.483
   96   1HH2  ARG  13          HH21      ARG  13 -12.531  -2.069   3.704
   97   2HH2  ARG  13          HH22      ARG  13 -13.085  -2.304   2.081
   98    H    ALA  14           HN       ALA  14  -5.789   2.202   5.380
   99    HA   ALA  14           HA       ALA  14  -3.979   2.969   3.370
  100   1HB   ALA  14          HB1       ALA  14  -3.729   3.890   5.547
  101   2HB   ALA  14          HB2       ALA  14  -2.288   2.925   5.223
  102   3HB   ALA  14          HB3       ALA  14  -3.556   2.291   6.272
  103    H    PHE  15           HN       PHE  15  -2.741   1.806   2.066
  104    HA   PHE  15           HA       PHE  15  -1.962  -0.907   2.901
  105   1HB   PHE  15          HB2       PHE  15  -3.230   0.005   0.356
  106   2HB   PHE  15          HB1       PHE  15  -2.043  -1.294   0.277
  107    HD1  PHE  15           HD1      PHE  15  -5.433  -0.441   0.932
  108    HD2  PHE  15           HD2      PHE  15  -2.421  -3.324   1.782
  109    HE1  PHE  15           HE1      PHE  15  -7.170  -2.057   1.587
  110    HE2  PHE  15           HE2      PHE  15  -4.151  -4.946   2.437
  111    HZ   PHE  15           HZ       PHE  15  -6.530  -4.313   2.340
  112    H    TYR  16           HN       TYR  16  -0.257   1.006   3.495
  113    HA   TYR  16           HA       TYR  16   1.614   1.430   1.309
  114   1HB   TYR  16          HB2       TYR  16   0.945   3.105   3.221
  115   2HB   TYR  16          HB1       TYR  16   2.166   2.233   4.141
  116    HD1  TYR  16           HD1      TYR  16   1.894   5.199   2.863
  117    HD2  TYR  16           HD2      TYR  16   4.194   1.717   2.033
  118    HE1  TYR  16           HE1      TYR  16   3.642   6.601   1.852
  119    HE2  TYR  16           HE2      TYR  16   5.948   3.109   1.019
  120    HH   TYR  16           HH       TYR  16   6.240   5.278   0.037
  121    H    THR  17           HN       THR  17   2.709  -0.393   0.829
  122    HA   THR  17           HA       THR  17   4.388  -1.524   2.945
  123    HB   THR  17           HB       THR  17   2.670  -3.129   2.919
  124    HG1  THR  17           HG1      THR  17   4.600  -4.195   2.718
  125   1HG2  THR  17          HG21      THR  17   1.549  -4.006   1.069
  126   2HG2  THR  17          HG22      THR  17   2.735  -3.359  -0.065
  127   3HG2  THR  17          HG23      THR  17   1.628  -2.270   0.771
  128    H    THR  18           HN       THR  18   6.352  -0.978   2.232
  129    HA   THR  18           HA       THR  18   6.974  -1.116  -0.607
  130    HB   THR  18           HB       THR  18   9.158  -0.084   0.137
  131    HG1  THR  18           HG1      THR  18   8.949  -0.815   2.342
  132   1HG2  THR  18          HG21      THR  18   6.591   1.136  -0.011
  133   2HG2  THR  18          HG22      THR  18   8.171   1.811  -0.407
  134   3HG2  THR  18          HG23      THR  18   7.546   1.937   1.237
  135    H    LYS  19           HN       LYS  19   6.648  -3.510   1.236
  136    HA   LYS  19           HA       LYS  19   8.579  -5.163   0.091
  137   1HB   LYS  19          HB2       LYS  19   9.896  -5.686   2.201
  138   2HB   LYS  19          HB1       LYS  19  10.276  -4.168   1.400
  139   1HG   LYS  19          HG2       LYS  19   8.382  -3.344   3.140
  140   2HG   LYS  19          HG1       LYS  19   9.110  -4.672   4.048
  141   1HD   LYS  19          HD2       LYS  19  11.185  -3.653   4.132
  142   2HD   LYS  19          HD1       LYS  19  10.861  -2.647   2.718
  143   1HE   LYS  19          HE2       LYS  19  10.607  -1.052   4.307
  144   2HE   LYS  19          HE1       LYS  19   8.968  -1.701   4.345
  145   1HZ   LYS  19          HZ1       LYS  19   9.281  -2.609   6.366
  146   2HZ   LYS  19          HZ2       LYS  19  10.482  -1.428   6.507
  147   3HZ   LYS  19          HZ3       LYS  19  10.900  -3.010   6.078
  Start of MODEL   14
    1   1H    ARG   4          HT1       ARG   4   7.259  -6.901  -6.653
    2   2H    ARG   4          HT2       ARG   4   6.465  -5.379  -6.657
    3   3H    ARG   4          HT3       ARG   4   6.008  -6.586  -5.524
    4    HA   ARG   4           HA       ARG   4   8.275  -6.487  -4.623
    5   1HB   ARG   4          HB2       ARG   4   8.336  -4.156  -6.540
    6   2HB   ARG   4          HB1       ARG   4   9.447  -4.295  -5.185
    7   1HG   ARG   4          HG2       ARG   4  10.754  -5.284  -6.721
    8   2HG   ARG   4          HG1       ARG   4   9.797  -6.708  -6.310
    9   1HD   ARG   4          HD2       ARG   4   9.762  -6.644  -8.646
   10   2HD   ARG   4          HD1       ARG   4   8.213  -5.951  -8.169
   11    HE   ARG   4           HE       ARG   4   8.861  -3.961  -9.093
   12   1HH1  ARG   4          HH11      ARG   4  11.679  -5.977  -8.682
   13   2HH1  ARG   4          HH12      ARG   4  12.726  -4.904  -9.548
   14   1HH2  ARG   4          HH21      ARG   4  10.236  -2.549 -10.233
   15   2HH2  ARG   4          HH22      ARG   4  11.908  -2.958 -10.428
   16    H    LYS   5           HN       LYS   5   6.998  -3.253  -5.346
   17    HA   LYS   5           HA       LYS   5   6.118  -3.062  -2.546
   18   1HB   LYS   5          HB2       LYS   5   7.807  -1.487  -2.704
   19   2HB   LYS   5          HB1       LYS   5   7.464  -1.138  -4.390
   20   1HG   LYS   5          HG2       LYS   5   5.617   0.210  -3.837
   21   2HG   LYS   5          HG1       LYS   5   5.627  -0.338  -2.160
   22   1HD   LYS   5          HD2       LYS   5   8.115   0.644  -2.312
   23   2HD   LYS   5          HD1       LYS   5   7.333   1.666  -3.519
   24   1HE   LYS   5          HE2       LYS   5   5.628   1.514  -1.251
   25   2HE   LYS   5          HE1       LYS   5   7.257   1.882  -0.686
   26   1HZ   LYS   5          HZ1       LYS   5   6.313   3.380  -2.998
   27   2HZ   LYS   5          HZ2       LYS   5   7.249   3.891  -1.683
   28   3HZ   LYS   5          HZ3       LYS   5   5.572   3.737  -1.519
   29    H    ARG   6           HN       ARG   6   4.203  -1.826  -2.129
   30    HA   ARG   6           HA       ARG   6   2.553  -1.000  -4.337
   31   1HB   ARG   6          HB2       ARG   6   2.111  -3.572  -2.935
   32   2HB   ARG   6          HB1       ARG   6   0.678  -2.571  -3.182
   33   1HG   ARG   6          HG2       ARG   6   1.101  -2.526  -5.575
   34   2HG   ARG   6          HG1       ARG   6   2.567  -3.487  -5.345
   35   1HD   ARG   6          HD2       ARG   6   1.401  -5.407  -4.894
   36   2HD   ARG   6          HD1       ARG   6  -0.004  -4.538  -4.279
   37    HE   ARG   6           HE       ARG   6   0.505  -5.311  -7.002
   38   1HH1  ARG   6          HH11      ARG   6  -1.215  -3.090  -4.931
   39   2HH1  ARG   6          HH12      ARG   6  -2.452  -2.765  -6.097
   40   1HH2  ARG   6          HH21      ARG   6  -1.121  -4.884  -8.538
   41   2HH2  ARG   6          HH22      ARG   6  -2.399  -3.784  -8.145
   42    H    ILE   7           HN       ILE   7   1.554   0.793  -3.707
   43    HA   ILE   7           HA       ILE   7   0.697   1.029  -0.902
   44    HB   ILE   7           HB       ILE   7   1.651   3.491  -2.280
   45   1HG1  ILE   7          HG12      ILE   7   3.903   2.812  -0.944
   46   2HG1  ILE   7          HG11      ILE   7   3.377   1.215  -1.485
   47   1HG2  ILE   7          HG21      ILE   7   2.392   3.943   0.114
   48   2HG2  ILE   7          HG22      ILE   7   1.491   2.489   0.544
   49   3HG2  ILE   7          HG23      ILE   7   0.657   3.859  -0.191
   50   1HD1  ILE   7          HD11      ILE   7   4.740   1.884  -3.205
   51   2HD1  ILE   7          HD12      ILE   7   4.243   3.572  -3.089
   52   3HD1  ILE   7          HD13      ILE   7   3.156   2.378  -3.799
   53    H    HIS   8           HN       HIS   8  -1.448   1.155  -0.946
   54    HA   HIS   8           HA       HIS   8  -2.704   3.072  -2.766
   55   1HB   HIS   8          HB2       HIS   8  -3.078   1.063  -3.959
   56   2HB   HIS   8          HB1       HIS   8  -3.407   0.152  -2.482
   57    HD1  HIS   8           HD1      HIS   8  -5.096   1.649  -5.252
   58    HD2  HIS   8           HD2      HIS   8  -5.931   1.176  -1.210
   59    HE1  HIS   8           HE1      HIS   8  -7.585   1.956  -5.040
   60    HE2  HIS   8           HE2      HIS   8  -8.078   1.581  -2.598
   61    H    ILE   9           HN       ILE   9  -4.034   4.385  -1.694
   62    HA   ILE   9           HA       ILE   9  -4.992   3.525   0.955
   63    HB   ILE   9           HB       ILE   9  -4.679   6.370   0.005
   64   1HG1  ILE   9          HG12      ILE   9  -2.730   6.173   1.801
   65   2HG1  ILE   9          HG11      ILE   9  -2.750   4.485   1.288
   66   1HG2  ILE   9          HG21      ILE   9  -6.053   6.636   1.773
   67   2HG2  ILE   9          HG22      ILE   9  -4.562   6.450   2.696
   68   3HG2  ILE   9          HG23      ILE   9  -5.637   5.070   2.469
   69   1HD1  ILE   9          HD11      ILE   9  -1.343   5.140  -0.304
   70   2HD1  ILE   9          HD12      ILE   9  -1.734   6.845  -0.072
   71   3HD1  ILE   9          HD13      ILE   9  -2.758   5.835  -1.093
   72    H    GLY  10           HN       GLY  10  -7.105   3.278   1.231
   73   1HA   GLY  10          HA2       GLY  10  -8.911   4.283  -0.862
   74   2HA   GLY  10          HA1       GLY  10  -9.260   2.958   0.242
   75    HA   PRO  11           HA       PRO  11 -11.488   6.540   2.008
   76   1HB   PRO  11          HB2       PRO  11 -13.592   5.123   2.951
   77   2HB   PRO  11          HB1       PRO  11 -13.477   5.656   1.269
   78   1HG   PRO  11          HG2       PRO  11 -12.957   2.965   2.440
   79   2HG   PRO  11          HG1       PRO  11 -13.723   3.393   0.903
   80   1HD   PRO  11          HD2       PRO  11 -11.113   2.562   1.154
   81   2HD   PRO  11          HD1       PRO  11 -11.723   3.552  -0.186
   82    H    GLY  12           HN       GLY  12  -9.352   5.986   3.329
   83   1HA   GLY  12          HA2       GLY  12  -8.741   6.270   5.595
   84   2HA   GLY  12          HA1       GLY  12 -10.256   5.515   6.073
   85    H    ARG  13           HN       ARG  13  -8.621   3.915   3.558
   86    HA   ARG  13           HA       ARG  13  -7.500   1.962   5.452
   87   1HB   ARG  13          HB2       ARG  13  -8.016   0.529   3.138
   88   2HB   ARG  13          HB1       ARG  13  -8.975   0.496   4.615
   89   1HG   ARG  13          HG2       ARG  13  -9.492   2.508   2.445
   90   2HG   ARG  13          HG1       ARG  13 -10.196   0.887   2.409
   91   1HD   ARG  13          HD2       ARG  13 -10.459   2.515   4.889
   92   2HD   ARG  13          HD1       ARG  13 -11.466   2.914   3.499
   93    HE   ARG  13           HE       ARG  13 -12.571   0.871   3.727
   94   1HH1  ARG  13          HH11      ARG  13 -10.033   1.202   6.110
   95   2HH1  ARG  13          HH12      ARG  13 -10.625  -0.090   7.097
   96   1HH2  ARG  13          HH21      ARG  13 -13.343  -0.826   5.029
   97   2HH2  ARG  13          HH22      ARG  13 -12.500  -1.240   6.485
   98    H    ALA  14           HN       ALA  14  -5.404   2.737   5.334
   99    HA   ALA  14           HA       ALA  14  -4.128   3.123   2.766
  100   1HB   ALA  14          HB1       ALA  14  -3.344   4.657   4.304
  101   2HB   ALA  14          HB2       ALA  14  -2.076   3.432   4.333
  102   3HB   ALA  14          HB3       ALA  14  -3.289   3.475   5.612
  103    H    PHE  15           HN       PHE  15  -3.432   1.449   1.621
  104    HA   PHE  15           HA       PHE  15  -2.618  -1.003   3.000
  105   1HB   PHE  15          HB2       PHE  15  -3.368  -0.414   0.138
  106   2HB   PHE  15          HB1       PHE  15  -2.637  -1.940   0.621
  107    HD1  PHE  15           HD1      PHE  15  -5.632  -0.490  -0.147
  108    HD2  PHE  15           HD2      PHE  15  -3.862  -2.908   2.874
  109    HE1  PHE  15           HE1      PHE  15  -7.854  -1.357   0.454
  110    HE2  PHE  15           HE2      PHE  15  -6.081  -3.780   3.481
  111    HZ   PHE  15           HZ       PHE  15  -8.080  -3.005   2.271
  112    H    TYR  16           HN       TYR  16  -0.654   0.268   3.675
  113    HA   TYR  16           HA       TYR  16   1.340   0.639   1.588
  114   1HB   TYR  16          HB2       TYR  16   1.139   2.335   3.352
  115   2HB   TYR  16          HB1       TYR  16   1.497   1.118   4.573
  116    HD1  TYR  16           HD1      TYR  16   2.885   3.235   1.935
  117    HD2  TYR  16           HD2      TYR  16   3.762   0.263   4.849
  118    HE1  TYR  16           HE1      TYR  16   5.283   3.717   1.694
  119    HE2  TYR  16           HE2      TYR  16   6.164   0.739   4.619
  120    HH   TYR  16           HH       TYR  16   7.550   2.880   3.837
  121    H    THR  17           HN       THR  17   2.356  -1.133   0.909
  122    HA   THR  17           HA       THR  17   3.595  -2.876   2.903
  123    HB   THR  17           HB       THR  17   1.643  -4.131   2.429
  124    HG1  THR  17           HG1      THR  17   3.702  -5.254   2.167
  125   1HG2  THR  17          HG21      THR  17   2.032  -3.230  -0.375
  126   2HG2  THR  17          HG22      THR  17   0.564  -3.303   0.599
  127   3HG2  THR  17          HG23      THR  17   1.252  -4.782  -0.071
  128    H    THR  18           HN       THR  18   5.622  -2.136   2.383
  129    HA   THR  18           HA       THR  18   6.493  -2.354  -0.407
  130    HB   THR  18           HB       THR  18   8.268  -0.899   0.114
  131    HG1  THR  18           HG1      THR  18   9.251  -1.062   1.940
  132   1HG2  THR  18          HG21      THR  18   6.110   0.072   1.963
  133   2HG2  THR  18          HG22      THR  18   6.045   0.223   0.208
  134   3HG2  THR  18          HG23      THR  18   7.322   1.033   1.116
  135    H    LYS  19           HN       LYS  19   9.142  -2.787  -0.201
  136    HA   LYS  19           HA       LYS  19   9.989  -4.781   1.571
  137   1HB   LYS  19          HB2       LYS  19   8.170  -5.788  -0.284
  138   2HB   LYS  19          HB1       LYS  19   9.740  -6.251  -0.925
  139   1HG   LYS  19          HG2       LYS  19  10.293  -7.437   1.058
  140   2HG   LYS  19          HG1       LYS  19   8.891  -6.787   1.909
  141   1HD   LYS  19          HD2       LYS  19   8.513  -8.378  -0.595
  142   2HD   LYS  19          HD1       LYS  19   8.813  -9.202   0.936
  143   1HE   LYS  19          HE2       LYS  19   6.910  -7.704   1.841
  144   2HE   LYS  19          HE1       LYS  19   6.503  -7.469   0.142
  145   1HZ   LYS  19          HZ1       LYS  19   5.274  -9.302   0.498
  146   2HZ   LYS  19          HZ2       LYS  19   6.202  -9.825   1.812
  147   3HZ   LYS  19          HZ3       LYS  19   6.734 -10.116   0.233
  Start of MODEL   15
    1   1H    ARG   4          HT1       ARG   4   8.949  -3.288  -6.009
    2   2H    ARG   4          HT2       ARG   4   9.891  -4.696  -6.286
    3   3H    ARG   4          HT3       ARG   4   9.260  -4.376  -4.722
    4    HA   ARG   4           HA       ARG   4   7.491  -4.670  -7.030
    5   1HB   ARG   4          HB2       ARG   4   7.331  -7.074  -6.462
    6   2HB   ARG   4          HB1       ARG   4   8.926  -6.630  -7.052
    7   1HG   ARG   4          HG2       ARG   4   9.640  -7.804  -5.286
    8   2HG   ARG   4          HG1       ARG   4   9.280  -6.326  -4.390
    9   1HD   ARG   4          HD2       ARG   4   7.340  -7.177  -3.497
   10   2HD   ARG   4          HD1       ARG   4   7.109  -8.322  -4.818
   11    HE   ARG   4           HE       ARG   4   8.613  -8.736  -2.403
   12   1HH1  ARG   4          HH11      ARG   4   8.180  -9.744  -5.716
   13   2HH1  ARG   4          HH12      ARG   4   8.865 -11.313  -5.460
   14   1HH2  ARG   4          HH21      ARG   4   9.514 -10.799  -2.063
   15   2HH2  ARG   4          HH22      ARG   4   9.622 -11.913  -3.386
   16    H    LYS   5           HN       LYS   5   7.324  -2.947  -4.765
   17    HA   LYS   5           HA       LYS   5   5.613  -4.237  -2.825
   18   1HB   LYS   5          HB2       LYS   5   5.876  -2.386  -1.535
   19   2HB   LYS   5          HB1       LYS   5   7.308  -2.221  -2.536
   20   1HG   LYS   5          HG2       LYS   5   5.806  -0.764  -4.050
   21   2HG   LYS   5          HG1       LYS   5   4.739  -0.688  -2.648
   22   1HD   LYS   5          HD2       LYS   5   6.343   1.219  -2.845
   23   2HD   LYS   5          HD1       LYS   5   6.433   0.341  -1.321
   24   1HE   LYS   5          HE2       LYS   5   8.473  -0.591  -1.824
   25   2HE   LYS   5          HE1       LYS   5   8.219  -0.465  -3.565
   26   1HZ   LYS   5          HZ1       LYS   5   8.475   1.985  -1.959
   27   2HZ   LYS   5          HZ2       LYS   5   8.848   1.730  -3.588
   28   3HZ   LYS   5          HZ3       LYS   5   9.868   1.125  -2.383
   29    H    ARG   6           HN       ARG   6   3.703  -2.450  -2.243
   30    HA   ARG   6           HA       ARG   6   2.231  -1.763  -4.635
   31   1HB   ARG   6          HB2       ARG   6   1.417  -3.981  -2.783
   32   2HB   ARG   6          HB1       ARG   6   0.182  -3.017  -3.597
   33   1HG   ARG   6          HG2       ARG   6   1.418  -3.583  -5.760
   34   2HG   ARG   6          HG1       ARG   6   2.259  -4.813  -4.807
   35   1HD   ARG   6          HD2       ARG   6  -0.160  -5.491  -4.090
   36   2HD   ARG   6          HD1       ARG   6  -0.627  -4.633  -5.557
   37    HE   ARG   6           HE       ARG   6   0.579  -7.202  -5.397
   38   1HH1  ARG   6          HH11      ARG   6   0.452  -4.314  -7.353
   39   2HH1  ARG   6          HH12      ARG   6   0.867  -5.138  -8.818
   40   1HH2  ARG   6          HH21      ARG   6   1.128  -8.287  -7.323
   41   2HH2  ARG   6          HH22      ARG   6   1.252  -7.393  -8.802
   42    H    ILE   7           HN       ILE   7   1.974   0.316  -4.119
   43    HA   ILE   7           HA       ILE   7   1.048   1.014  -1.424
   44    HB   ILE   7           HB       ILE   7   1.884   2.999  -3.520
   45   1HG1  ILE   7          HG12      ILE   7   4.021   2.535  -1.686
   46   2HG1  ILE   7          HG11      ILE   7   3.559   0.975  -2.379
   47   1HG2  ILE   7          HG21      ILE   7   2.653   4.121  -1.291
   48   2HG2  ILE   7          HG22      ILE   7   1.513   2.991  -0.561
   49   3HG2  ILE   7          HG23      ILE   7   0.954   4.152  -1.764
   50   1HD1  ILE   7          HD11      ILE   7   3.631   2.724  -4.538
   51   2HD1  ILE   7          HD12      ILE   7   4.826   1.498  -4.116
   52   3HD1  ILE   7          HD13      ILE   7   5.027   3.157  -3.553
   53    H    HIS   8           HN       HIS   8  -1.092   1.120  -1.220
   54    HA   HIS   8           HA       HIS   8  -2.622   2.715  -3.104
   55   1HB   HIS   8          HB2       HIS   8  -2.977   0.652  -4.171
   56   2HB   HIS   8          HB1       HIS   8  -3.060  -0.228  -2.642
   57    HD1  HIS   8           HD1      HIS   8  -5.160   1.118  -5.236
   58    HD2  HIS   8           HD2      HIS   8  -5.527   0.494  -1.146
   59    HE1  HIS   8           HE1      HIS   8  -7.631   1.176  -4.770
   60    HE2  HIS   8           HE2      HIS   8  -7.822   0.906  -2.271
   61    H    ILE   9           HN       ILE   9  -4.022   3.965  -2.042
   62    HA   ILE   9           HA       ILE   9  -4.924   3.112   0.630
   63    HB   ILE   9           HB       ILE   9  -4.250   5.960  -0.105
   64   1HG1  ILE   9          HG12      ILE   9  -2.371   5.454   1.662
   65   2HG1  ILE   9          HG11      ILE   9  -2.612   3.784   1.147
   66   1HG2  ILE   9          HG21      ILE   9  -5.104   4.597   2.431
   67   2HG2  ILE   9          HG22      ILE   9  -5.850   5.970   1.613
   68   3HG2  ILE   9          HG23      ILE   9  -4.302   6.168   2.434
   69   1HD1  ILE   9          HD11      ILE   9  -0.789   5.170   0.004
   70   2HD1  ILE   9          HD12      ILE   9  -2.118   5.956  -0.848
   71   3HD1  ILE   9          HD13      ILE   9  -1.872   4.217  -1.009
   72    H    GLY  10           HN       GLY  10  -7.026   3.570   1.172
   73   1HA   GLY  10          HA2       GLY  10  -8.642   5.007  -0.833
   74   2HA   GLY  10          HA1       GLY  10  -9.144   3.424  -0.251
   75    HA   PRO  11           HA       PRO  11 -11.483   6.267   2.439
   76   1HB   PRO  11          HB2       PRO  11 -12.939   3.778   3.070
   77   2HB   PRO  11          HB1       PRO  11 -13.553   5.318   2.461
   78   1HG   PRO  11          HG2       PRO  11 -13.438   3.141   0.902
   79   2HG   PRO  11          HG1       PRO  11 -13.136   4.766   0.257
   80   1HD   PRO  11          HD2       PRO  11 -11.173   2.629   1.008
   81   2HD   PRO  11          HD1       PRO  11 -11.173   3.716  -0.398
   82    H    GLY  12           HN       GLY  12  -9.248   6.006   3.581
   83   1HA   GLY  12          HA2       GLY  12  -8.303   5.864   5.686
   84   2HA   GLY  12          HA1       GLY  12  -9.799   5.144   6.265
   85    H    ARG  13           HN       ARG  13  -8.201   3.790   3.510
   86    HA   ARG  13           HA       ARG  13  -7.489   1.444   5.129
   87   1HB   ARG  13          HB2       ARG  13  -7.334   0.930   2.299
   88   2HB   ARG  13          HB1       ARG  13  -8.357   0.169   3.510
   89   1HG   ARG  13          HG2       ARG  13  -9.031   2.766   2.141
   90   2HG   ARG  13          HG1       ARG  13  -9.576   1.181   1.586
   91   1HD   ARG  13          HD2       ARG  13 -10.086   2.188   4.373
   92   2HD   ARG  13          HD1       ARG  13 -11.186   2.512   3.030
   93    HE   ARG  13           HE       ARG  13 -10.903  -0.168   2.937
   94   1HH1  ARG  13          HH11      ARG  13 -11.696   2.034   5.526
   95   2HH1  ARG  13          HH12      ARG  13 -12.672   0.882   6.375
   96   1HH2  ARG  13          HH21      ARG  13 -12.185  -1.685   4.054
   97   2HH2  ARG  13          HH22      ARG  13 -12.949  -1.228   5.541
   98    H    ALA  14           HN       ALA  14  -5.538   2.602   5.792
   99    HA   ALA  14           HA       ALA  14  -3.539   3.345   3.923
  100   1HB   ALA  14          HB1       ALA  14  -2.729   2.572   6.664
  101   2HB   ALA  14          HB2       ALA  14  -3.892   3.888   6.509
  102   3HB   ALA  14          HB3       ALA  14  -2.320   4.003   5.719
  103    H    PHE  15           HN       PHE  15  -3.848   1.244   2.674
  104    HA   PHE  15           HA       PHE  15  -2.342  -0.993   3.791
  105   1HB   PHE  15          HB2       PHE  15  -3.981  -0.704   1.268
  106   2HB   PHE  15          HB1       PHE  15  -3.064  -2.152   1.668
  107    HD1  PHE  15           HD1      PHE  15  -3.525  -2.762   4.350
  108    HD2  PHE  15           HD2      PHE  15  -6.227  -0.976   1.590
  109    HE1  PHE  15           HE1      PHE  15  -5.424  -3.602   5.672
  110    HE2  PHE  15           HE2      PHE  15  -8.130  -1.810   2.906
  111    HZ   PHE  15           HZ       PHE  15  -7.730  -3.125   4.950
  112    H    TYR  16           HN       TYR  16  -0.651   1.015   3.519
  113    HA   TYR  16           HA       TYR  16   0.639   0.905   0.914
  114   1HB   TYR  16          HB2       TYR  16   0.612   3.090   1.779
  115   2HB   TYR  16          HB1       TYR  16   1.039   2.554   3.399
  116    HD1  TYR  16           HD1      TYR  16   2.888   4.000   3.757
  117    HD2  TYR  16           HD2      TYR  16   2.787   1.511   0.308
  118    HE1  TYR  16           HE1      TYR  16   5.248   4.528   3.315
  119    HE2  TYR  16           HE2      TYR  16   5.148   2.032  -0.143
  120    HH   TYR  16           HH       TYR  16   7.166   3.530   2.121
  121    H    THR  17           HN       THR  17   1.901  -0.792   0.519
  122    HA   THR  17           HA       THR  17   3.648  -1.762   2.686
  123    HB   THR  17           HB       THR  17   2.184  -3.542   2.225
  124    HG1  THR  17           HG1      THR  17   3.565  -5.053   1.553
  125   1HG2  THR  17          HG21      THR  17   1.150  -2.685   0.188
  126   2HG2  THR  17          HG22      THR  17   1.633  -4.374   0.020
  127   3HG2  THR  17          HG23      THR  17   2.603  -3.101  -0.720
  128    H    THR  18           HN       THR  18   5.791  -1.998   2.288
  129    HA   THR  18           HA       THR  18   6.750  -1.191  -0.373
  130    HB   THR  18           HB       THR  18   8.619  -0.115   0.642
  131    HG1  THR  18           HG1      THR  18   9.154  -0.351   2.736
  132   1HG2  THR  18          HG21      THR  18   6.929   1.447   0.759
  133   2HG2  THR  18          HG22      THR  18   7.496   1.372   2.427
  134   3HG2  THR  18          HG23      THR  18   6.020   0.528   1.959
  135    H    LYS  19           HN       LYS  19   7.337  -3.255   2.430
  136    HA   LYS  19           HA       LYS  19   9.585  -4.604   1.354
  137   1HB   LYS  19          HB2       LYS  19   7.689  -5.102   3.611
  138   2HB   LYS  19          HB1       LYS  19   8.751  -6.405   3.094
  139   1HG   LYS  19          HG2       LYS  19  10.470  -4.278   3.291
  140   2HG   LYS  19          HG1       LYS  19   9.345  -3.998   4.622
  141   1HD   LYS  19          HD2       LYS  19  10.346  -6.763   4.283
  142   2HD   LYS  19          HD1       LYS  19  11.511  -5.559   4.839
  143   1HE   LYS  19          HE2       LYS  19  10.426  -5.220   6.820
  144   2HE   LYS  19          HE1       LYS  19   8.846  -5.618   6.147
  145   1HZ   LYS  19          HZ1       LYS  19   9.389  -7.376   7.572
  146   2HZ   LYS  19          HZ2       LYS  19  10.981  -7.477   7.009
  147   3HZ   LYS  19          HZ3       LYS  19   9.703  -7.977   6.021
  Start of MODEL   16
    1   1H    ARG   4          HT1       ARG   4   9.678  -5.805  -6.546
    2   2H    ARG   4          HT2       ARG   4   9.719  -6.202  -4.876
    3   3H    ARG   4          HT3       ARG   4   9.400  -4.589  -5.370
    4    HA   ARG   4           HA       ARG   4   7.419  -5.488  -6.550
    5   1HB   ARG   4          HB2       ARG   4   8.523  -7.871  -5.201
    6   2HB   ARG   4          HB1       ARG   4   6.786  -7.661  -5.037
    7   1HG   ARG   4          HG2       ARG   4   6.885  -8.922  -6.937
    8   2HG   ARG   4          HG1       ARG   4   6.896  -7.298  -7.629
    9   1HD   ARG   4          HD2       ARG   4   8.582  -8.792  -8.644
   10   2HD   ARG   4          HD1       ARG   4   9.291  -7.370  -7.879
   11    HE   ARG   4           HE       ARG   4  10.402  -8.758  -6.452
   12   1HH1  ARG   4          HH11      ARG   4   7.726 -10.520  -7.836
   13   2HH1  ARG   4          HH12      ARG   4   8.186 -12.027  -7.118
   14   1HH2  ARG   4          HH21      ARG   4  11.008 -10.741  -5.508
   15   2HH2  ARG   4          HH22      ARG   4  10.047 -12.153  -5.797
   16    H    LYS   5           HN       LYS   5   6.024  -4.123  -5.662
   17    HA   LYS   5           HA       LYS   5   5.178  -4.432  -2.933
   18   1HB   LYS   5          HB2       LYS   5   6.147  -2.661  -1.944
   19   2HB   LYS   5          HB1       LYS   5   7.325  -2.787  -3.236
   20   1HG   LYS   5          HG2       LYS   5   6.093  -1.099  -4.518
   21   2HG   LYS   5          HG1       LYS   5   4.915  -0.978  -3.212
   22   1HD   LYS   5          HD2       LYS   5   6.707   0.808  -3.278
   23   2HD   LYS   5          HD1       LYS   5   6.485  -0.027  -1.743
   24   1HE   LYS   5          HE2       LYS   5   8.534  -0.924  -1.791
   25   2HE   LYS   5          HE1       LYS   5   8.444  -1.277  -3.516
   26   1HZ   LYS   5          HZ1       LYS   5   8.880   1.103  -3.932
   27   2HZ   LYS   5          HZ2       LYS   5  10.156   0.329  -3.136
   28   3HZ   LYS   5          HZ3       LYS   5   9.108   1.334  -2.271
   29    H    ARG   6           HN       ARG   6   3.541  -2.632  -2.384
   30    HA   ARG   6           HA       ARG   6   2.257  -1.350  -4.585
   31   1HB   ARG   6          HB2       ARG   6   1.176  -3.927  -3.524
   32   2HB   ARG   6          HB1       ARG   6   0.039  -2.668  -4.008
   33   1HG   ARG   6          HG2       ARG   6   1.828  -2.795  -6.116
   34   2HG   ARG   6          HG1       ARG   6   1.611  -4.481  -5.632
   35   1HD   ARG   6          HD2       ARG   6  -0.562  -4.523  -6.269
   36   2HD   ARG   6          HD1       ARG   6  -0.840  -2.845  -5.805
   37    HE   ARG   6           HE       ARG   6  -0.258  -3.787  -8.395
   38   1HH1  ARG   6          HH11      ARG   6   0.530  -1.164  -6.232
   39   2HH1  ARG   6          HH12      ARG   6   0.846  -0.039  -7.510
   40   1HH2  ARG   6          HH21      ARG   6   0.159  -2.309 -10.078
   41   2HH2  ARG   6          HH22      ARG   6   0.635  -0.688  -9.694
   42    H    ILE   7           HN       ILE   7   1.567   0.498  -3.770
   43    HA   ILE   7           HA       ILE   7   0.662   0.556  -0.965
   44    HB   ILE   7           HB       ILE   7   1.779   2.888  -2.514
   45   1HG1  ILE   7          HG12      ILE   7   3.457   1.819  -0.375
   46   2HG1  ILE   7          HG11      ILE   7   3.223   0.661  -1.690
   47   1HG2  ILE   7          HG21      ILE   7   2.113   3.778  -0.184
   48   2HG2  ILE   7          HG22      ILE   7   1.120   2.435   0.385
   49   3HG2  ILE   7          HG23      ILE   7   0.438   3.633  -0.715
   50   1HD1  ILE   7          HD11      ILE   7   4.129   3.494  -2.121
   51   2HD1  ILE   7          HD12      ILE   7   4.138   2.163  -3.278
   52   3HD1  ILE   7          HD13      ILE   7   5.230   2.137  -1.894
   53    H    HIS   8           HN       HIS   8  -1.352   1.237  -0.549
   54    HA   HIS   8           HA       HIS   8  -2.761   2.915  -2.473
   55   1HB   HIS   8          HB2       HIS   8  -4.231   0.515  -1.449
   56   2HB   HIS   8          HB1       HIS   8  -4.538   1.486  -2.892
   57    HD1  HIS   8           HD1      HIS   8  -2.439   1.201  -4.745
   58    HD2  HIS   8           HD2      HIS   8  -3.162  -1.878  -2.052
   59    HE1  HIS   8           HE1      HIS   8  -1.377  -0.842  -5.758
   60    HE2  HIS   8           HE2      HIS   8  -1.934  -2.714  -4.167
   61    H    ILE   9           HN       ILE   9  -3.901   4.444  -1.464
   62    HA   ILE   9           HA       ILE   9  -4.815   3.941   1.286
   63    HB   ILE   9           HB       ILE   9  -3.551   6.527   0.369
   64   1HG1  ILE   9          HG12      ILE   9  -1.810   5.824   2.140
   65   2HG1  ILE   9          HG11      ILE   9  -2.474   4.201   1.950
   66   1HG2  ILE   9          HG21      ILE   9  -4.841   7.293   2.050
   67   2HG2  ILE   9          HG22      ILE   9  -3.562   6.623   3.063
   68   3HG2  ILE   9          HG23      ILE   9  -5.034   5.695   2.773
   69   1HD1  ILE   9          HD11      ILE   9  -1.348   3.875   0.070
   70   2HD1  ILE   9          HD12      ILE   9  -0.456   5.346   0.459
   71   3HD1  ILE   9          HD13      ILE   9  -1.864   5.421  -0.599
   72    H    GLY  10           HN       GLY  10  -6.966   3.867   0.990
   73   1HA   GLY  10          HA2       GLY  10  -8.220   5.992  -0.628
   74   2HA   GLY  10          HA1       GLY  10  -8.943   4.423  -0.288
   75    HA   PRO  11           HA       PRO  11 -10.942   7.227   2.711
   76   1HB   PRO  11          HB2       PRO  11 -13.266   5.850   2.872
   77   2HB   PRO  11          HB1       PRO  11 -12.920   6.990   1.564
   78   1HG   PRO  11          HG2       PRO  11 -12.756   4.007   1.570
   79   2HG   PRO  11          HG1       PRO  11 -13.364   5.094   0.311
   80   1HD   PRO  11          HD2       PRO  11 -10.881   3.957   0.250
   81   2HD   PRO  11          HD1       PRO  11 -11.267   5.509  -0.519
   82    H    GLY  12           HN       GLY  12  -9.034   5.918   3.838
   83   1HA   GLY  12          HA2       GLY  12  -8.634   5.176   6.035
   84   2HA   GLY  12          HA1       GLY  12 -10.287   4.580   6.112
   85    H    ARG  13           HN       ARG  13  -8.392   3.836   3.326
   86    HA   ARG  13           HA       ARG  13  -8.189   1.048   4.242
   87   1HB   ARG  13          HB2       ARG  13  -7.784   1.352   1.398
   88   2HB   ARG  13          HB1       ARG  13  -8.988   0.397   2.255
   89   1HG   ARG  13          HG2       ARG  13  -9.245   3.335   1.621
   90   2HG   ARG  13          HG1       ARG  13  -9.973   2.022   0.690
   91   1HD   ARG  13          HD2       ARG  13 -10.504   2.104   3.609
   92   2HD   ARG  13          HD1       ARG  13 -11.287   3.320   2.599
   93    HE   ARG  13           HE       ARG  13 -12.553   1.656   1.596
   94   1HH1  ARG  13          HH11      ARG  13 -10.219   0.251   3.786
   95   2HH1  ARG  13          HH12      ARG  13 -10.974  -1.305   3.784
   96   1HH2  ARG  13          HH21      ARG  13 -13.541  -0.391   1.596
   97   2HH2  ARG  13          HH22      ARG  13 -12.858  -1.671   2.543
   98    H    ALA  14           HN       ALA  14  -6.191   1.461   5.324
   99    HA   ALA  14           HA       ALA  14  -3.919   2.458   3.897
  100   1HB   ALA  14          HB1       ALA  14  -4.172   2.699   6.337
  101   2HB   ALA  14          HB2       ALA  14  -2.655   1.920   5.885
  102   3HB   ALA  14          HB3       ALA  14  -3.992   0.952   6.507
  103    H    PHE  15           HN       PHE  15  -2.986   1.352   2.318
  104    HA   PHE  15           HA       PHE  15  -2.472  -1.515   2.731
  105   1HB   PHE  15          HB2       PHE  15  -3.588  -0.142   0.302
  106   2HB   PHE  15          HB1       PHE  15  -2.687  -1.645   0.145
  107    HD1  PHE  15           HD1      PHE  15  -3.489  -3.618   1.623
  108    HD2  PHE  15           HD2      PHE  15  -5.859  -0.204   0.707
  109    HE1  PHE  15           HE1      PHE  15  -5.525  -4.895   2.148
  110    HE2  PHE  15           HE2      PHE  15  -7.899  -1.476   1.231
  111    HZ   PHE  15           HZ       PHE  15  -7.733  -3.824   1.953
  112    H    TYR  16           HN       TYR  16  -0.579   0.094   3.532
  113    HA   TYR  16           HA       TYR  16   1.268   0.702   1.370
  114   1HB   TYR  16          HB2       TYR  16   0.989   2.299   3.222
  115   2HB   TYR  16          HB1       TYR  16   1.546   1.077   4.360
  116    HD1  TYR  16           HD1      TYR  16   3.895   0.503   4.513
  117    HD2  TYR  16           HD2      TYR  16   2.543   3.398   1.706
  118    HE1  TYR  16           HE1      TYR  16   6.214   1.250   4.176
  119    HE2  TYR  16           HE2      TYR  16   4.857   4.151   1.359
  120    HH   TYR  16           HH       TYR  16   7.206   3.804   3.239
  121    H    THR  17           HN       THR  17   1.974  -1.253   0.579
  122    HA   THR  17           HA       THR  17   3.438  -2.967   2.478
  123    HB   THR  17           HB       THR  17   3.066  -4.570   0.302
  124    HG1  THR  17           HG1      THR  17   1.689  -3.014  -0.665
  125   1HG2  THR  17          HG21      THR  17   2.183  -5.848   1.866
  126   2HG2  THR  17          HG22      THR  17   0.728  -4.852   1.879
  127   3HG2  THR  17          HG23      THR  17   2.077  -4.457   2.944
  128    H    THR  18           HN       THR  18   5.110  -1.243   2.004
  129    HA   THR  18           HA       THR  18   6.487  -1.612  -0.539
  130    HB   THR  18           HB       THR  18   7.702   0.362  -0.030
  131    HG1  THR  18           HG1      THR  18   6.810  -0.067   2.614
  132   1HG2  THR  18          HG21      THR  18   5.248   0.687  -0.522
  133   2HG2  THR  18          HG22      THR  18   6.072   2.021   0.284
  134   3HG2  THR  18          HG23      THR  18   5.033   0.935   1.208
  135    H    LYS  19           HN       LYS  19   8.452  -2.569  -0.740
  136    HA   LYS  19           HA       LYS  19   9.304  -4.443   1.140
  137   1HB   LYS  19          HB2       LYS  19  11.402  -4.541  -0.224
  138   2HB   LYS  19          HB1       LYS  19   9.922  -4.708  -1.158
  139   1HG   LYS  19          HG2       LYS  19  10.509  -3.011  -2.447
  140   2HG   LYS  19          HG1       LYS  19  10.615  -1.948  -1.043
  141   1HD   LYS  19          HD2       LYS  19  12.923  -3.230  -0.732
  142   2HD   LYS  19          HD1       LYS  19  12.752  -3.432  -2.478
  143   1HE   LYS  19          HE2       LYS  19  12.210  -0.723  -1.474
  144   2HE   LYS  19          HE1       LYS  19  13.874  -1.272  -1.279
  145   1HZ   LYS  19          HZ1       LYS  19  14.042  -0.485  -3.368
  146   2HZ   LYS  19          HZ2       LYS  19  12.394  -0.663  -3.705
  147   3HZ   LYS  19          HZ3       LYS  19  13.422  -2.003  -3.786
  Start of MODEL   17
    1   1H    ARG   4          HT1       ARG   4   9.323  -3.410  -5.921
    2   2H    ARG   4          HT2       ARG   4   9.660  -4.777  -6.902
    3   3H    ARG   4          HT3       ARG   4   9.676  -4.921  -5.192
    4    HA   ARG   4           HA       ARG   4   7.366  -4.407  -6.937
    5   1HB   ARG   4          HB2       ARG   4   8.226  -6.702  -5.166
    6   2HB   ARG   4          HB1       ARG   4   6.620  -6.566  -5.869
    7   1HG   ARG   4          HG2       ARG   4   9.147  -6.618  -7.498
    8   2HG   ARG   4          HG1       ARG   4   8.201  -8.055  -7.103
    9   1HD   ARG   4          HD2       ARG   4   6.929  -5.675  -8.405
   10   2HD   ARG   4          HD1       ARG   4   7.788  -6.880  -9.362
   11    HE   ARG   4           HE       ARG   4   6.045  -8.311  -7.802
   12   1HH1  ARG   4          HH11      ARG   4   5.757  -5.747 -10.152
   13   2HH1  ARG   4          HH12      ARG   4   4.184  -6.240 -10.683
   14   1HH2  ARG   4          HH21      ARG   4   3.975  -8.960  -8.500
   15   2HH2  ARG   4          HH22      ARG   4   3.172  -8.062  -9.745
   16    H    LYS   5           HN       LYS   5   7.027  -2.392  -5.736
   17    HA   LYS   5           HA       LYS   5   6.365  -2.606  -2.931
   18   1HB   LYS   5          HB2       LYS   5   7.569  -0.648  -3.691
   19   2HB   LYS   5          HB1       LYS   5   6.332  -0.314  -4.895
   20   1HG   LYS   5          HG2       LYS   5   5.331   0.986  -3.439
   21   2HG   LYS   5          HG1       LYS   5   5.001  -0.433  -2.451
   22   1HD   LYS   5          HD2       LYS   5   6.766  -0.035  -1.040
   23   2HD   LYS   5          HD1       LYS   5   7.681   0.848  -2.264
   24   1HE   LYS   5          HE2       LYS   5   5.116   2.005  -1.296
   25   2HE   LYS   5          HE1       LYS   5   6.525   2.088  -0.240
   26   1HZ   LYS   5          HZ1       LYS   5   6.931   2.888  -3.008
   27   2HZ   LYS   5          HZ2       LYS   5   7.560   3.553  -1.586
   28   3HZ   LYS   5          HZ3       LYS   5   5.981   3.923  -2.065
   29    H    ARG   6           HN       ARG   6   4.299  -2.286  -2.072
   30    HA   ARG   6           HA       ARG   6   2.098  -2.379  -4.024
   31   1HB   ARG   6          HB2       ARG   6   2.713  -4.139  -1.740
   32   2HB   ARG   6          HB1       ARG   6   1.031  -3.612  -1.837
   33   1HG   ARG   6          HG2       ARG   6   0.937  -4.453  -4.154
   34   2HG   ARG   6          HG1       ARG   6   2.592  -5.051  -3.979
   35   1HD   ARG   6          HD2       ARG   6   0.698  -5.872  -1.874
   36   2HD   ARG   6          HD1       ARG   6   0.386  -6.529  -3.480
   37    HE   ARG   6           HE       ARG   6   2.560  -7.196  -1.724
   38   1HH1  ARG   6          HH11      ARG   6   1.491  -7.112  -5.044
   39   2HH1  ARG   6          HH12      ARG   6   2.584  -8.352  -5.559
   40   1HH2  ARG   6          HH21      ARG   6   3.999  -8.825  -2.397
   41   2HH2  ARG   6          HH22      ARG   6   4.009  -9.325  -4.056
   42    H    ILE   7           HN       ILE   7   1.861  -0.107  -3.851
   43    HA   ILE   7           HA       ILE   7   1.124   0.983  -1.246
   44    HB   ILE   7           HB       ILE   7   1.304   2.417  -3.898
   45   1HG1  ILE   7          HG12      ILE   7   3.375   2.862  -1.839
   46   2HG1  ILE   7          HG11      ILE   7   3.413   1.274  -2.612
   47   1HG2  ILE   7          HG21      ILE   7   0.652   3.234  -1.142
   48   2HG2  ILE   7          HG22      ILE   7   0.148   3.926  -2.683
   49   3HG2  ILE   7          HG23      ILE   7   1.744   4.297  -2.029
   50   1HD1  ILE   7          HD11      ILE   7   3.356   3.846  -4.163
   51   2HD1  ILE   7          HD12      ILE   7   3.739   2.226  -4.747
   52   3HD1  ILE   7          HD13      ILE   7   4.848   3.055  -3.654
   53    H    HIS   8           HN       HIS   8  -0.921   0.741  -0.627
   54    HA   HIS   8           HA       HIS   8  -3.046   1.274  -2.580
   55   1HB   HIS   8          HB2       HIS   8  -3.362  -0.865  -0.485
   56   2HB   HIS   8          HB1       HIS   8  -4.326  -0.595  -1.939
   57    HD1  HIS   8           HD1      HIS   8  -2.336  -3.095  -0.814
   58    HD2  HIS   8           HD2      HIS   8  -2.068  -0.744  -4.228
   59    HE1  HIS   8           HE1      HIS   8  -0.944  -4.420  -2.435
   60    HE2  HIS   8           HE2      HIS   8  -0.698  -2.926  -4.448
   61    H    ILE   9           HN       ILE   9  -4.488   2.724  -1.894
   62    HA   ILE   9           HA       ILE   9  -5.048   3.014   0.944
   63    HB   ILE   9           HB       ILE   9  -4.145   5.419  -0.632
   64   1HG1  ILE   9          HG12      ILE   9  -2.601   3.762   1.377
   65   2HG1  ILE   9          HG11      ILE   9  -2.252   3.896  -0.346
   66   1HG2  ILE   9          HG21      ILE   9  -4.141   5.339   2.323
   67   2HG2  ILE   9          HG22      ILE   9  -5.715   5.380   1.530
   68   3HG2  ILE   9          HG23      ILE   9  -4.539   6.658   1.222
   69   1HD1  ILE   9          HD11      ILE   9  -1.037   5.707  -0.019
   70   2HD1  ILE   9          HD12      ILE   9  -1.203   5.429   1.715
   71   3HD1  ILE   9          HD13      ILE   9  -2.336   6.492   0.880
   72    H    GLY  10           HN       GLY  10  -7.194   2.813   0.917
   73   1HA   GLY  10          HA2       GLY  10  -8.723   4.147  -1.213
   74   2HA   GLY  10          HA1       GLY  10  -9.311   2.834  -0.200
   75    HA   PRO  11           HA       PRO  11 -11.226   6.491   1.699
   76   1HB   PRO  11          HB2       PRO  11 -13.315   5.185   2.810
   77   2HB   PRO  11          HB1       PRO  11 -13.277   5.640   1.101
   78   1HG   PRO  11          HG2       PRO  11 -12.740   2.989   2.367
   79   2HG   PRO  11          HG1       PRO  11 -13.615   3.363   0.874
   80   1HD   PRO  11          HD2       PRO  11 -11.024   2.477   0.940
   81   2HD   PRO  11          HD1       PRO  11 -11.698   3.465  -0.370
   82    H    GLY  12           HN       GLY  12  -9.096   6.108   2.986
   83   1HA   GLY  12          HA2       GLY  12  -8.327   6.386   5.173
   84   2HA   GLY  12          HA1       GLY  12  -9.874   5.793   5.766
   85    H    ARG  13           HN       ARG  13  -8.117   4.038   3.341
   86    HA   ARG  13           HA       ARG  13  -7.558   1.942   5.329
   87   1HB   ARG  13          HB2       ARG  13  -7.370   1.034   2.583
   88   2HB   ARG  13          HB1       ARG  13  -8.365   0.422   3.898
   89   1HG   ARG  13          HG2       ARG  13  -9.080   2.783   2.168
   90   2HG   ARG  13          HG1       ARG  13  -9.664   1.133   1.923
   91   1HD   ARG  13          HD2       ARG  13 -10.018   2.412   4.592
   92   2HD   ARG  13          HD1       ARG  13 -11.076   2.896   3.265
   93    HE   ARG  13           HE       ARG  13 -10.953   0.073   3.470
   94   1HH1  ARG  13          HH11      ARG  13 -12.339   2.877   5.014
   95   2HH1  ARG  13          HH12      ARG  13 -13.702   2.013   5.642
   96   1HH2  ARG  13          HH21      ARG  13 -12.748  -1.065   4.292
   97   2HH2  ARG  13          HH22      ARG  13 -13.935  -0.225   5.232
   98    H    ALA  14           HN       ALA  14  -5.570   3.037   5.888
   99    HA   ALA  14           HA       ALA  14  -3.507   3.578   4.059
  100   1HB   ALA  14          HB1       ALA  14  -3.050   4.604   6.027
  101   2HB   ALA  14          HB2       ALA  14  -2.105   3.138   6.290
  102   3HB   ALA  14          HB3       ALA  14  -3.713   3.289   6.997
  103    H    PHE  15           HN       PHE  15  -3.471   1.753   2.654
  104    HA   PHE  15           HA       PHE  15  -2.324  -0.692   3.818
  105   1HB   PHE  15          HB2       PHE  15  -4.068  -0.151   1.465
  106   2HB   PHE  15          HB1       PHE  15  -2.936  -1.496   1.352
  107    HD1  PHE  15           HD1      PHE  15  -2.955  -3.123   3.421
  108    HD2  PHE  15           HD2      PHE  15  -6.154  -0.533   2.338
  109    HE1  PHE  15           HE1      PHE  15  -4.526  -4.546   4.671
  110    HE2  PHE  15           HE2      PHE  15  -7.730  -1.950   3.586
  111    HZ   PHE  15           HZ       PHE  15  -6.916  -3.959   4.756
  112    H    TYR  16           HN       TYR  16  -0.611   1.457   3.537
  113    HA   TYR  16           HA       TYR  16   0.871   1.088   1.060
  114   1HB   TYR  16          HB2       TYR  16   0.684   3.360   1.761
  115   2HB   TYR  16          HB1       TYR  16   1.190   2.969   3.401
  116    HD1  TYR  16           HD1      TYR  16   2.310   3.565  -0.035
  117    HD2  TYR  16           HD2      TYR  16   3.541   2.649   3.932
  118    HE1  TYR  16           HE1      TYR  16   4.629   4.116  -0.635
  119    HE2  TYR  16           HE2      TYR  16   5.864   3.198   3.345
  120    HH   TYR  16           HH       TYR  16   7.270   3.296   1.285
  121    H    THR  17           HN       THR  17   1.800  -0.920   1.160
  122    HA   THR  17           HA       THR  17   3.812  -1.292   3.277
  123    HB   THR  17           HB       THR  17   3.356  -3.798   2.952
  124    HG1  THR  17           HG1      THR  17   2.052  -3.796   1.178
  125   1HG2  THR  17          HG21      THR  17   1.008  -2.368   4.135
  126   2HG2  THR  17          HG22      THR  17   2.587  -2.372   4.919
  127   3HG2  THR  17          HG23      THR  17   1.742  -3.893   4.627
  128    H    THR  18           HN       THR  18   5.802  -1.543   2.546
  129    HA   THR  18           HA       THR  18   6.245  -1.891  -0.307
  130    HB   THR  18           HB       THR  18   8.417  -1.073   0.050
  131    HG1  THR  18           HG1      THR  18   8.068  -1.894   2.731
  132   1HG2  THR  18          HG21      THR  18   7.447   0.398   2.380
  133   2HG2  THR  18          HG22      THR  18   6.362   0.428   0.990
  134   3HG2  THR  18          HG23      THR  18   8.028   0.984   0.821
  135    H    LYS  19           HN       LYS  19   8.739  -3.091  -0.325
  136    HA   LYS  19           HA       LYS  19   9.722  -5.139  -0.454
  137   1HB   LYS  19          HB2       LYS  19   9.314  -4.719   2.164
  138   2HB   LYS  19          HB1       LYS  19   8.318  -6.154   1.958
  139   1HG   LYS  19          HG2       LYS  19  10.095  -7.481   1.896
  140   2HG   LYS  19          HG1       LYS  19  10.893  -6.472   0.687
  141   1HD   LYS  19          HD2       LYS  19  12.163  -5.431   2.222
  142   2HD   LYS  19          HD1       LYS  19  10.833  -5.307   3.375
  143   1HE   LYS  19          HE2       LYS  19  11.950  -8.006   2.902
  144   2HE   LYS  19          HE1       LYS  19  12.972  -6.864   3.774
  145   1HZ   LYS  19          HZ1       LYS  19  10.166  -7.245   4.581
  146   2HZ   LYS  19          HZ2       LYS  19  11.480  -6.719   5.506
  147   3HZ   LYS  19          HZ3       LYS  19  11.345  -8.350   5.081
  Start of MODEL   18
    1   1H    ARG   4          HT1       ARG   4   9.565  -6.226  -6.905
    2   2H    ARG   4          HT2       ARG   4   7.968  -6.837  -6.757
    3   3H    ARG   4          HT3       ARG   4   8.968  -6.694  -5.369
    4    HA   ARG   4           HA       ARG   4   9.059  -4.263  -5.881
    5   1HB   ARG   4          HB2       ARG   4   7.672  -5.173  -8.126
    6   2HB   ARG   4          HB1       ARG   4   6.442  -4.384  -7.148
    7   1HG   ARG   4          HG2       ARG   4   7.209  -2.668  -8.481
    8   2HG   ARG   4          HG1       ARG   4   8.139  -2.442  -6.998
    9   1HD   ARG   4          HD2       ARG   4  10.095  -3.230  -7.951
   10   2HD   ARG   4          HD1       ARG   4   9.241  -4.128  -9.206
   11    HE   ARG   4           HE       ARG   4   9.325  -2.266 -10.519
   12   1HH1  ARG   4          HH11      ARG   4   9.814  -1.294  -7.203
   13   2HH1  ARG   4          HH12      ARG   4  10.154   0.356  -7.606
   14   1HH2  ARG   4          HH21      ARG   4   9.773  -0.097 -11.050
   15   2HH2  ARG   4          HH22      ARG   4  10.131   1.035  -9.790
   16    H    LYS   5           HN       LYS   5   6.853  -2.940  -5.252
   17    HA   LYS   5           HA       LYS   5   5.634  -4.466  -3.047
   18   1HB   LYS   5          HB2       LYS   5   5.735  -2.593  -1.629
   19   2HB   LYS   5          HB1       LYS   5   7.319  -2.693  -2.381
   20   1HG   LYS   5          HG2       LYS   5   5.834  -1.043  -4.058
   21   2HG   LYS   5          HG1       LYS   5   5.391  -0.553  -2.424
   22   1HD   LYS   5          HD2       LYS   5   8.266  -1.002  -2.968
   23   2HD   LYS   5          HD1       LYS   5   7.524   0.422  -3.702
   24   1HE   LYS   5          HE2       LYS   5   6.552   0.524  -1.156
   25   2HE   LYS   5          HE1       LYS   5   8.160  -0.150  -0.905
   26   1HZ   LYS   5          HZ1       LYS   5   7.672   2.455  -1.073
   27   2HZ   LYS   5          HZ2       LYS   5   8.013   2.128  -2.697
   28   3HZ   LYS   5          HZ3       LYS   5   9.154   1.762  -1.502
   29    H    ARG   6           HN       ARG   6   3.749  -2.713  -2.196
   30    HA   ARG   6           HA       ARG   6   2.177  -1.857  -4.489
   31   1HB   ARG   6          HB2       ARG   6   1.727  -4.355  -3.820
   32   2HB   ARG   6          HB1       ARG   6   0.808  -3.629  -2.499
   33   1HG   ARG   6          HG2       ARG   6  -0.753  -2.690  -3.934
   34   2HG   ARG   6          HG1       ARG   6   0.324  -2.794  -5.332
   35   1HD   ARG   6          HD2       ARG   6  -0.020  -5.094  -5.568
   36   2HD   ARG   6          HD1       ARG   6  -0.655  -5.260  -3.932
   37    HE   ARG   6           HE       ARG   6  -2.726  -4.762  -4.742
   38   1HH1  ARG   6          HH11      ARG   6  -0.351  -3.644  -7.042
   39   2HH1  ARG   6          HH12      ARG   6  -1.528  -3.182  -8.223
   40   1HH2  ARG   6          HH21      ARG   6  -4.276  -4.155  -6.294
   41   2HH2  ARG   6          HH22      ARG   6  -3.759  -3.472  -7.799
   42    H    ILE   7           HN       ILE   7   1.834   0.195  -3.929
   43    HA   ILE   7           HA       ILE   7   0.900   0.751  -1.188
   44    HB   ILE   7           HB       ILE   7   2.308   2.679  -3.036
   45   1HG1  ILE   7          HG12      ILE   7   3.635   1.790  -0.551
   46   2HG1  ILE   7          HG11      ILE   7   3.501   0.555  -1.809
   47   1HG2  ILE   7          HG21      ILE   7   0.876   3.832  -1.507
   48   2HG2  ILE   7          HG22      ILE   7   2.537   4.017  -0.944
   49   3HG2  ILE   7          HG23      ILE   7   1.461   2.866  -0.152
   50   1HD1  ILE   7          HD11      ILE   7   4.402   3.064  -2.905
   51   2HD1  ILE   7          HD12      ILE   7   5.152   1.470  -2.967
   52   3HD1  ILE   7          HD13      ILE   7   5.441   2.529  -1.586
   53    H    HIS   8           HN       HIS   8  -1.217   1.133  -1.153
   54    HA   HIS   8           HA       HIS   8  -2.361   3.034  -3.027
   55   1HB   HIS   8          HB2       HIS   8  -4.252   1.546  -3.603
   56   2HB   HIS   8          HB1       HIS   8  -2.706   0.923  -4.192
   57    HD1  HIS   8           HD1      HIS   8  -5.665  -0.214  -2.629
   58    HD2  HIS   8           HD2      HIS   8  -1.625  -1.037  -2.112
   59    HE1  HIS   8           HE1      HIS   8  -5.577  -2.424  -1.434
   60    HE2  HIS   8           HE2      HIS   8  -3.123  -2.950  -1.227
   61    H    ILE   9           HN       ILE   9  -3.712   4.360  -2.004
   62    HA   ILE   9           HA       ILE   9  -4.867   3.469   0.558
   63    HB   ILE   9           HB       ILE   9  -4.071   6.295  -0.146
   64   1HG1  ILE   9          HG12      ILE   9  -2.336   5.824   1.716
   65   2HG1  ILE   9          HG11      ILE   9  -2.648   4.121   1.375
   66   1HG2  ILE   9          HG21      ILE   9  -4.257   6.209   2.547
   67   2HG2  ILE   9          HG22      ILE   9  -5.507   5.047   2.098
   68   3HG2  ILE   9          HG23      ILE   9  -5.575   6.697   1.480
   69   1HD1  ILE   9          HD11      ILE   9  -2.114   5.696  -1.014
   70   2HD1  ILE   9          HD12      ILE   9  -1.422   4.164  -0.481
   71   3HD1  ILE   9          HD13      ILE   9  -0.781   5.686   0.139
   72    H    GLY  10           HN       GLY  10  -6.990   3.961   0.986
   73   1HA   GLY  10          HA2       GLY  10  -8.475   5.389  -1.127
   74   2HA   GLY  10          HA1       GLY  10  -9.043   3.842  -0.509
   75    HA   PRO  11           HA       PRO  11 -11.064   6.655   2.358
   76   1HB   PRO  11          HB2       PRO  11 -13.364   5.279   2.575
   77   2HB   PRO  11          HB1       PRO  11 -12.973   6.231   1.138
   78   1HG   PRO  11          HG2       PRO  11 -13.071   3.316   1.470
   79   2HG   PRO  11          HG1       PRO  11 -13.132   4.279  -0.014
   80   1HD   PRO  11          HD2       PRO  11 -10.866   2.921   1.187
   81   2HD   PRO  11          HD1       PRO  11 -10.966   3.731  -0.388
   82    H    GLY  12           HN       GLY  12  -9.665   6.238   4.131
   83   1HA   GLY  12          HA2       GLY  12  -9.150   5.467   6.229
   84   2HA   GLY  12          HA1       GLY  12 -10.841   5.004   6.340
   85    H    ARG  13           HN       ARG  13  -7.998   3.857   4.511
   86    HA   ARG  13           HA       ARG  13  -8.007   1.337   5.856
   87   1HB   ARG  13          HB2       ARG  13  -8.274   0.210   3.432
   88   2HB   ARG  13          HB1       ARG  13  -9.618   0.427   4.549
   89   1HG   ARG  13          HG2       ARG  13 -10.319   1.125   2.383
   90   2HG   ARG  13          HG1       ARG  13 -10.149   2.564   3.394
   91   1HD   ARG  13          HD2       ARG  13  -8.841   3.425   1.827
   92   2HD   ARG  13          HD1       ARG  13  -7.647   2.188   2.218
   93    HE   ARG  13           HE       ARG  13  -9.750   1.589   0.264
   94   1HH1  ARG  13          HH11      ARG  13  -6.363   2.105   0.975
   95   2HH1  ARG  13          HH12      ARG  13  -5.828   1.479  -0.547
   96   1HH2  ARG  13          HH21      ARG  13  -9.038   0.774  -1.729
   97   2HH2  ARG  13          HH22      ARG  13  -7.342   0.726  -2.080
   98    H    ALA  14           HN       ALA  14  -6.008   3.063   5.774
   99    HA   ALA  14           HA       ALA  14  -4.206   3.234   3.759
  100   1HB   ALA  14          HB1       ALA  14  -3.922   4.252   5.979
  101   2HB   ALA  14          HB2       ALA  14  -2.460   3.439   5.422
  102   3HB   ALA  14          HB3       ALA  14  -3.488   2.672   6.632
  103    H    PHE  15           HN       PHE  15  -3.014   1.909   2.570
  104    HA   PHE  15           HA       PHE  15  -2.300  -0.732   3.621
  105   1HB   PHE  15          HB2       PHE  15  -3.668  -0.191   0.981
  106   2HB   PHE  15          HB1       PHE  15  -2.833  -1.698   1.342
  107    HD1  PHE  15           HD1      PHE  15  -5.923  -0.642   0.907
  108    HD2  PHE  15           HD2      PHE  15  -3.587  -2.274   4.067
  109    HE1  PHE  15           HE1      PHE  15  -7.967  -1.514   1.963
  110    HE2  PHE  15           HE2      PHE  15  -5.626  -3.149   5.128
  111    HZ   PHE  15           HZ       PHE  15  -7.820  -2.770   4.077
  112    H    TYR  16           HN       TYR  16  -0.416   0.975   3.770
  113    HA   TYR  16           HA       TYR  16   1.077   1.202   1.285
  114   1HB   TYR  16          HB2       TYR  16   1.132   3.171   2.607
  115   2HB   TYR  16          HB1       TYR  16   1.496   2.271   4.074
  116    HD1  TYR  16           HD1      TYR  16   2.869   3.759   1.038
  117    HD2  TYR  16           HD2      TYR  16   3.770   1.467   4.507
  118    HE1  TYR  16           HE1      TYR  16   5.266   4.180   0.686
  119    HE2  TYR  16           HE2      TYR  16   6.169   1.881   4.165
  120    HH   TYR  16           HH       TYR  16   7.420   3.173   1.282
  121    H    THR  17           HN       THR  17   1.861  -0.775   0.738
  122    HA   THR  17           HA       THR  17   3.510  -2.174   2.736
  123    HB   THR  17           HB       THR  17   3.087  -4.220   1.585
  124    HG1  THR  17           HG1      THR  17   1.664  -2.777  -0.388
  125   1HG2  THR  17          HG21      THR  17   0.949  -2.704   2.600
  126   2HG2  THR  17          HG22      THR  17   1.074  -4.457   2.453
  127   3HG2  THR  17          HG23      THR  17   0.367  -3.509   1.143
  128    H    THR  18           HN       THR  18   5.629  -2.430   2.367
  129    HA   THR  18           HA       THR  18   6.668  -1.628  -0.268
  130    HB   THR  18           HB       THR  18   8.568  -0.663   0.781
  131    HG1  THR  18           HG1      THR  18   7.629  -1.942   3.118
  132   1HG2  THR  18          HG21      THR  18   6.964   0.404   2.886
  133   2HG2  THR  18          HG22      THR  18   6.003   0.269   1.413
  134   3HG2  THR  18          HG23      THR  18   7.517   1.174   1.399
  135    H    LYS  19           HN       LYS  19   9.317  -2.375   0.120
  136    HA   LYS  19           HA       LYS  19   9.304  -5.059  -0.618
  137   1HB   LYS  19          HB2       LYS  19  11.798  -4.938  -0.046
  138   2HB   LYS  19          HB1       LYS  19  11.190  -3.818  -1.257
  139   1HG   LYS  19          HG2       LYS  19  12.001  -2.124  -0.091
  140   2HG   LYS  19          HG1       LYS  19  10.952  -2.552   1.262
  141   1HD   LYS  19          HD2       LYS  19  12.664  -4.134   2.059
  142   2HD   LYS  19          HD1       LYS  19  13.717  -3.641   0.731
  143   1HE   LYS  19          HE2       LYS  19  13.777  -1.372   1.586
  144   2HE   LYS  19          HE1       LYS  19  12.651  -1.803   2.873
  145   1HZ   LYS  19          HZ1       LYS  19  14.563  -2.061   4.013
  146   2HZ   LYS  19          HZ2       LYS  19  15.498  -2.356   2.635
  147   3HZ   LYS  19          HZ3       LYS  19  14.555  -3.594   3.297
  Start of MODEL   19
    1   1H    ARG   4          HT1       ARG   4   8.579  -6.301  -6.786
    2   2H    ARG   4          HT2       ARG   4   8.133  -6.047  -5.149
    3   3H    ARG   4          HT3       ARG   4   8.775  -4.753  -6.076
    4    HA   ARG   4           HA       ARG   4   6.906  -4.564  -7.356
    5   1HB   ARG   4          HB2       ARG   4   5.034  -6.316  -6.998
    6   2HB   ARG   4          HB1       ARG   4   6.416  -6.755  -7.991
    7   1HG   ARG   4          HG2       ARG   4   6.096  -8.622  -6.662
    8   2HG   ARG   4          HG1       ARG   4   7.383  -7.756  -5.824
    9   1HD   ARG   4          HD2       ARG   4   6.007  -7.107  -4.097
   10   2HD   ARG   4          HD1       ARG   4   4.548  -7.216  -5.081
   11    HE   ARG   4           HE       ARG   4   5.778  -9.323  -3.557
   12   1HH1  ARG   4          HH11      ARG   4   3.677  -8.580  -6.243
   13   2HH1  ARG   4          HH12      ARG   4   2.860 -10.105  -6.187
   14   1HH2  ARG   4          HH21      ARG   4   4.705 -11.331  -3.484
   15   2HH2  ARG   4          HH22      ARG   4   3.442 -11.667  -4.621
   16    H    LYS   5           HN       LYS   5   7.490  -3.184  -5.220
   17    HA   LYS   5           HA       LYS   5   6.007  -3.368  -2.901
   18   1HB   LYS   5          HB2       LYS   5   7.729  -1.511  -4.026
   19   2HB   LYS   5          HB1       LYS   5   6.226  -0.617  -3.836
   20   1HG   LYS   5          HG2       LYS   5   7.107  -2.244  -1.539
   21   2HG   LYS   5          HG1       LYS   5   8.056  -0.807  -1.914
   22   1HD   LYS   5          HD2       LYS   5   5.092  -0.572  -1.835
   23   2HD   LYS   5          HD1       LYS   5   5.958  -0.708  -0.308
   24   1HE   LYS   5          HE2       LYS   5   6.135   1.432  -2.394
   25   2HE   LYS   5          HE1       LYS   5   5.801   1.586  -0.670
   26   1HZ   LYS   5          HZ1       LYS   5   8.227   0.571  -0.553
   27   2HZ   LYS   5          HZ2       LYS   5   7.953   2.234  -0.679
   28   3HZ   LYS   5          HZ3       LYS   5   8.354   1.338  -2.056
   29    H    ARG   6           HN       ARG   6   4.093  -2.216  -2.174
   30    HA   ARG   6           HA       ARG   6   2.233  -1.501  -4.331
   31   1HB   ARG   6          HB2       ARG   6   0.434  -2.712  -2.934
   32   2HB   ARG   6          HB1       ARG   6   1.511  -3.681  -3.942
   33   1HG   ARG   6          HG2       ARG   6   2.495  -3.255  -1.222
   34   2HG   ARG   6          HG1       ARG   6   0.966  -4.139  -1.311
   35   1HD   ARG   6          HD2       ARG   6   2.237  -5.464  -3.199
   36   2HD   ARG   6          HD1       ARG   6   3.662  -4.876  -2.342
   37    HE   ARG   6           HE       ARG   6   1.678  -6.133  -0.665
   38   1HH1  ARG   6          HH11      ARG   6   4.536  -6.609  -2.613
   39   2HH1  ARG   6          HH12      ARG   6   4.999  -8.065  -1.798
   40   1HH2  ARG   6          HH21      ARG   6   2.285  -8.047   0.404
   41   2HH2  ARG   6          HH22      ARG   6   3.722  -8.883  -0.086
   42    H    ILE   7           HN       ILE   7   1.593   0.503  -3.983
   43    HA   ILE   7           HA       ILE   7   1.017   1.346  -1.215
   44    HB   ILE   7           HB       ILE   7   2.032   3.200  -3.366
   45   1HG1  ILE   7          HG12      ILE   7   3.656   2.074  -1.079
   46   2HG1  ILE   7          HG11      ILE   7   3.706   1.414  -2.718
   47   1HG2  ILE   7          HG21      ILE   7   1.108   4.621  -1.875
   48   2HG2  ILE   7          HG22      ILE   7   2.641   4.377  -1.035
   49   3HG2  ILE   7          HG23      ILE   7   1.211   3.468  -0.545
   50   1HD1  ILE   7          HD11      ILE   7   5.214   3.527  -1.653
   51   2HD1  ILE   7          HD12      ILE   7   4.100   4.241  -2.818
   52   3HD1  ILE   7          HD13      ILE   7   5.185   2.943  -3.316
   53    H    HIS   8           HN       HIS   8  -1.139   1.552  -1.058
   54    HA   HIS   8           HA       HIS   8  -2.530   3.242  -2.961
   55   1HB   HIS   8          HB2       HIS   8  -4.356   1.145  -2.651
   56   2HB   HIS   8          HB1       HIS   8  -3.476   1.579  -4.118
   57    HD1  HIS   8           HD1      HIS   8  -2.368  -0.373  -5.119
   58    HD2  HIS   8           HD2      HIS   8  -2.527  -0.668  -0.979
   59    HE1  HIS   8           HE1      HIS   8  -1.284  -2.572  -4.561
   60    HE2  HIS   8           HE2      HIS   8  -1.448  -2.759  -2.053
   61    H    ILE   9           HN       ILE   9  -3.909   4.537  -1.945
   62    HA   ILE   9           HA       ILE   9  -4.652   3.857   0.820
   63    HB   ILE   9           HB       ILE   9  -4.772   6.604  -0.412
   64   1HG1  ILE   9          HG12      ILE   9  -2.457   5.734  -0.526
   65   2HG1  ILE   9          HG11      ILE   9  -2.610   7.072   0.613
   66   1HG2  ILE   9          HG21      ILE   9  -4.967   5.497   2.365
   67   2HG2  ILE   9          HG22      ILE   9  -6.067   6.586   1.520
   68   3HG2  ILE   9          HG23      ILE   9  -4.504   7.176   2.083
   69   1HD1  ILE   9          HD11      ILE   9  -2.417   4.144   1.270
   70   2HD1  ILE   9          HD12      ILE   9  -2.724   5.417   2.451
   71   3HD1  ILE   9          HD13      ILE   9  -1.201   5.388   1.561
   72    H    GLY  10           HN       GLY  10  -6.697   3.351   1.224
   73   1HA   GLY  10          HA2       GLY  10  -8.729   4.011  -0.804
   74   2HA   GLY  10          HA1       GLY  10  -8.847   2.709   0.375
   75    HA   PRO  11           HA       PRO  11 -11.344   6.160   2.084
   76   1HB   PRO  11          HB2       PRO  11 -13.442   4.662   2.882
   77   2HB   PRO  11          HB1       PRO  11 -13.259   5.233   1.220
   78   1HG   PRO  11          HG2       PRO  11 -12.740   2.533   2.358
   79   2HG   PRO  11          HG1       PRO  11 -13.412   2.980   0.783
   80   1HD   PRO  11          HD2       PRO  11 -10.790   2.215   1.222
   81   2HD   PRO  11          HD1       PRO  11 -11.353   3.156  -0.171
   82    H    GLY  12           HN       GLY  12  -9.329   5.814   3.532
   83   1HA   GLY  12          HA2       GLY  12  -8.789   5.974   5.804
   84   2HA   GLY  12          HA1       GLY  12 -10.320   5.200   6.199
   85    H    ARG  13           HN       ARG  13  -8.315   3.800   3.768
   86    HA   ARG  13           HA       ARG  13  -7.273   1.817   5.656
   87   1HB   ARG  13          HB2       ARG  13  -7.775   0.205   3.573
   88   2HB   ARG  13          HB1       ARG  13  -8.917   0.451   4.891
   89   1HG   ARG  13          HG2       ARG  13  -9.153   2.385   2.691
   90   2HG   ARG  13          HG1       ARG  13  -9.507   0.708   2.256
   91   1HD   ARG  13          HD2       ARG  13 -10.698   1.522   4.790
   92   2HD   ARG  13          HD1       ARG  13 -11.249   2.484   3.417
   93    HE   ARG  13           HE       ARG  13 -11.503  -0.016   2.484
   94   1HH1  ARG  13          HH11      ARG  13 -12.532   1.454   5.479
   95   2HH1  ARG  13          HH12      ARG  13 -13.900   0.409   5.664
   96   1HH2  ARG  13          HH21      ARG  13 -13.301  -1.388   2.727
   97   2HH2  ARG  13          HH22      ARG  13 -14.338  -1.204   4.103
   98    H    ALA  14           HN       ALA  14  -5.296   3.048   5.343
   99    HA   ALA  14           HA       ALA  14  -4.079   3.261   2.780
  100   1HB   ALA  14          HB1       ALA  14  -2.081   3.943   3.999
  101   2HB   ALA  14          HB2       ALA  14  -2.810   3.410   5.513
  102   3HB   ALA  14          HB3       ALA  14  -3.510   4.766   4.627
  103    H    PHE  15           HN       PHE  15  -3.908   1.311   1.745
  104    HA   PHE  15           HA       PHE  15  -2.745  -0.964   3.117
  105   1HB   PHE  15          HB2       PHE  15  -4.150  -0.516   0.545
  106   2HB   PHE  15          HB1       PHE  15  -2.970  -1.822   0.574
  107    HD1  PHE  15           HD1      PHE  15  -5.916  -0.512   2.424
  108    HD2  PHE  15           HD2      PHE  15  -3.577  -3.907   1.373
  109    HE1  PHE  15           HE1      PHE  15  -7.581  -1.981   3.484
  110    HE2  PHE  15           HE2      PHE  15  -5.237  -5.383   2.430
  111    HZ   PHE  15           HZ       PHE  15  -7.243  -4.420   3.487
  112    H    TYR  16           HN       TYR  16  -0.873   0.881   3.225
  113    HA   TYR  16           HA       TYR  16   0.926   0.646   0.949
  114   1HB   TYR  16          HB2       TYR  16   0.912   2.829   1.812
  115   2HB   TYR  16          HB1       TYR  16   0.905   2.272   3.480
  116    HD1  TYR  16           HD1      TYR  16   2.973   1.639   4.588
  117    HD2  TYR  16           HD2      TYR  16   2.983   2.964   0.546
  118    HE1  TYR  16           HE1      TYR  16   5.409   1.953   4.704
  119    HE2  TYR  16           HE2      TYR  16   5.419   3.281   0.649
  120    HH   TYR  16           HH       TYR  16   7.146   3.702   2.456
  121    H    THR  17           HN       THR  17   2.483  -0.852   0.826
  122    HA   THR  17           HA       THR  17   3.715  -1.864   3.250
  123    HB   THR  17           HB       THR  17   2.063  -3.498   3.196
  124    HG1  THR  17           HG1      THR  17   3.937  -4.626   3.222
  125   1HG2  THR  17          HG21      THR  17   2.108  -4.517   0.528
  126   2HG2  THR  17          HG22      THR  17   1.706  -2.800   0.508
  127   3HG2  THR  17          HG23      THR  17   0.748  -3.919   1.477
  128    H    THR  18           HN       THR  18   5.800  -2.040   2.979
  129    HA   THR  18           HA       THR  18   6.870  -2.298   0.253
  130    HB   THR  18           HB       THR  18   8.598  -0.839   0.766
  131    HG1  THR  18           HG1      THR  18   8.134  -1.547   3.458
  132   1HG2  THR  18          HG21      THR  18   7.538   1.069   1.188
  133   2HG2  THR  18          HG22      THR  18   7.064   0.543   2.801
  134   3HG2  THR  18          HG23      THR  18   6.086   0.092   1.405
  135    H    LYS  19           HN       LYS  19   8.221  -3.938  -0.185
  136    HA   LYS  19           HA       LYS  19   8.567  -6.011   1.752
  137   1HB   LYS  19          HB2       LYS  19   8.270  -6.292  -0.770
  138   2HB   LYS  19          HB1       LYS  19   9.961  -5.834  -0.913
  139   1HG   LYS  19          HG2       LYS  19  10.418  -7.997  -0.704
  140   2HG   LYS  19          HG1       LYS  19  10.014  -7.806   1.003
  141   1HD   LYS  19          HD2       LYS  19   7.930  -8.421  -1.076
  142   2HD   LYS  19          HD1       LYS  19   8.854  -9.690  -0.270
  143   1HE   LYS  19          HE2       LYS  19   7.443  -7.598   1.337
  144   2HE   LYS  19          HE1       LYS  19   6.547  -8.970   0.687
  145   1HZ   LYS  19          HZ1       LYS  19   8.978  -9.241   2.367
  146   2HZ   LYS  19          HZ2       LYS  19   7.920 -10.471   1.891
  147   3HZ   LYS  19          HZ3       LYS  19   7.402  -9.288   2.982
  Start of MODEL   20
    1   1H    ARG   4          HT1       ARG   4   7.003  -2.586  -7.217
    2   2H    ARG   4          HT2       ARG   4   8.464  -2.903  -8.058
    3   3H    ARG   4          HT3       ARG   4   8.509  -2.238  -6.478
    4    HA   ARG   4           HA       ARG   4   7.772  -4.943  -7.329
    5   1HB   ARG   4          HB2       ARG   4  10.155  -4.045  -6.735
    6   2HB   ARG   4          HB1       ARG   4   9.575  -4.118  -5.076
    7   1HG   ARG   4          HG2       ARG   4   9.085  -6.505  -5.366
    8   2HG   ARG   4          HG1       ARG   4   9.714  -6.421  -7.012
    9   1HD   ARG   4          HD2       ARG   4  11.861  -6.382  -6.328
   10   2HD   ARG   4          HD1       ARG   4  11.504  -5.378  -4.924
   11    HE   ARG   4           HE       ARG   4  11.633  -8.246  -5.018
   12   1HH1  ARG   4          HH11      ARG   4  10.291  -5.502  -3.328
   13   2HH1  ARG   4          HH12      ARG   4  10.074  -6.366  -1.843
   14   1HH2  ARG   4          HH21      ARG   4  11.345  -9.382  -3.067
   15   2HH2  ARG   4          HH22      ARG   4  10.673  -8.569  -1.694
   16    H    LYS   5           HN       LYS   5   7.358  -2.476  -4.862
   17    HA   LYS   5           HA       LYS   5   6.008  -4.264  -3.043
   18   1HB   LYS   5          HB2       LYS   5   6.041  -2.554  -1.519
   19   2HB   LYS   5          HB1       LYS   5   7.422  -2.122  -2.514
   20   1HG   LYS   5          HG2       LYS   5   5.666  -0.695  -3.824
   21   2HG   LYS   5          HG1       LYS   5   4.736  -0.837  -2.332
   22   1HD   LYS   5          HD2       LYS   5   6.131   1.213  -2.448
   23   2HD   LYS   5          HD1       LYS   5   6.503   0.183  -1.067
   24   1HE   LYS   5          HE2       LYS   5   8.565  -0.323  -1.830
   25   2HE   LYS   5          HE1       LYS   5   8.048  -0.340  -3.517
   26   1HZ   LYS   5          HZ1       LYS   5   9.055   1.870  -1.903
   27   2HZ   LYS   5          HZ2       LYS   5   7.837   2.240  -3.017
   28   3HZ   LYS   5          HZ3       LYS   5   9.284   1.539  -3.546
   29    H    ARG   6           HN       ARG   6   3.949  -2.661  -2.100
   30    HA   ARG   6           HA       ARG   6   2.188  -2.242  -4.386
   31   1HB   ARG   6          HB2       ARG   6   1.277  -3.859  -2.005
   32   2HB   ARG   6          HB1       ARG   6   0.432  -3.613  -3.536
   33   1HG   ARG   6          HG2       ARG   6   2.278  -4.867  -4.661
   34   2HG   ARG   6          HG1       ARG   6   2.920  -5.240  -3.058
   35   1HD   ARG   6          HD2       ARG   6   0.304  -5.959  -2.789
   36   2HD   ARG   6          HD1       ARG   6   0.609  -6.358  -4.479
   37    HE   ARG   6           HE       ARG   6   2.633  -7.327  -2.686
   38   1HH1  ARG   6          HH11      ARG   6  -0.470  -8.009  -4.128
   39   2HH1  ARG   6          HH12      ARG   6  -0.323  -9.723  -3.937
   40   1HH2  ARG   6          HH21      ARG   6   2.831  -9.583  -2.437
   41   2HH2  ARG   6          HH22      ARG   6   1.551 -10.617  -2.978
   42    H    ILE   7           HN       ILE   7   1.968  -0.092  -4.082
   43    HA   ILE   7           HA       ILE   7   1.191   0.875  -1.420
   44    HB   ILE   7           HB       ILE   7   1.889   2.599  -3.789
   45   1HG1  ILE   7          HG12      ILE   7   4.020   2.364  -1.837
   46   2HG1  ILE   7          HG11      ILE   7   3.647   0.792  -2.550
   47   1HG2  ILE   7          HG21      ILE   7   0.854   3.214  -1.321
   48   2HG2  ILE   7          HG22      ILE   7   1.697   4.330  -2.394
   49   3HG2  ILE   7          HG23      ILE   7   2.579   3.507  -1.110
   50   1HD1  ILE   7          HD11      ILE   7   3.722   2.651  -4.662
   51   2HD1  ILE   7          HD12      ILE   7   4.860   1.351  -4.306
   52   3HD1  ILE   7          HD13      ILE   7   5.130   2.963  -3.645
   53    H    HIS   8           HN       HIS   8  -0.949   0.933  -1.120
   54    HA   HIS   8           HA       HIS   8  -2.620   2.242  -3.120
   55   1HB   HIS   8          HB2       HIS   8  -3.489  -0.383  -1.914
   56   2HB   HIS   8          HB1       HIS   8  -4.246   0.511  -3.235
   57    HD1  HIS   8           HD1      HIS   8  -2.441  -2.428  -2.780
   58    HD2  HIS   8           HD2      HIS   8  -2.058   0.736  -5.443
   59    HE1  HIS   8           HE1      HIS   8  -1.139  -3.344  -4.727
   60    HE2  HIS   8           HE2      HIS   8  -1.007  -1.439  -6.371
   61    H    ILE   9           HN       ILE   9  -3.982   3.633  -2.193
   62    HA   ILE   9           HA       ILE   9  -4.552   3.308   0.682
   63    HB   ILE   9           HB       ILE   9  -4.562   5.930  -0.807
   64   1HG1  ILE   9          HG12      ILE   9  -2.298   4.921  -0.843
   65   2HG1  ILE   9          HG11      ILE   9  -2.365   6.381   0.145
   66   1HG2  ILE   9          HG21      ILE   9  -4.442   5.309   2.141
   67   2HG2  ILE   9          HG22      ILE   9  -5.890   5.800   1.261
   68   3HG2  ILE   9          HG23      ILE   9  -4.528   6.911   1.407
   69   1HD1  ILE   9          HD11      ILE   9  -2.906   4.102   1.779
   70   2HD1  ILE   9          HD12      ILE   9  -1.587   5.269   1.887
   71   3HD1  ILE   9          HD13      ILE   9  -1.420   3.841   0.866
   72    H    GLY  10           HN       GLY  10  -6.612   2.951   1.186
   73   1HA   GLY  10          HA2       GLY  10  -8.654   3.424  -0.868
   74   2HA   GLY  10          HA1       GLY  10  -8.815   2.352   0.517
   75    HA   PRO  11           HA       PRO  11 -11.240   6.199   1.443
   76   1HB   PRO  11          HB2       PRO  11 -13.043   4.245   2.711
   77   2HB   PRO  11          HB1       PRO  11 -13.399   5.481   1.500
   78   1HG   PRO  11          HG2       PRO  11 -13.395   2.866   0.889
   79   2HG   PRO  11          HG1       PRO  11 -12.854   4.099  -0.266
   80   1HD   PRO  11          HD2       PRO  11 -11.220   2.282   1.470
   81   2HD   PRO  11          HD1       PRO  11 -10.971   2.741  -0.229
   82    H    GLY  12           HN       GLY  12  -9.127   6.096   2.861
   83   1HA   GLY  12          HA2       GLY  12  -8.447   6.709   5.003
   84   2HA   GLY  12          HA1       GLY  12 -10.029   6.236   5.611
   85    H    ARG  13           HN       ARG  13  -8.562   3.907   3.623
   86    HA   ARG  13           HA       ARG  13  -7.771   2.353   5.990
   87   1HB   ARG  13          HB2       ARG  13  -8.040   0.560   3.861
   88   2HB   ARG  13          HB1       ARG  13  -9.149   0.774   5.211
   89   1HG   ARG  13          HG2       ARG  13  -9.365   2.452   2.731
   90   2HG   ARG  13          HG1       ARG  13 -10.101   0.850   2.841
   91   1HD   ARG  13          HD2       ARG  13 -10.599   3.095   4.790
   92   2HD   ARG  13          HD1       ARG  13 -11.642   2.717   3.416
   93    HE   ARG  13           HE       ARG  13 -11.575   1.381   5.924
   94   1HH1  ARG  13          HH11      ARG  13 -12.064   0.838   2.512
   95   2HH1  ARG  13          HH12      ARG  13 -13.063  -0.556   2.750
   96   1HH2  ARG  13          HH21      ARG  13 -12.888  -0.452   6.239
   97   2HH2  ARG  13          HH22      ARG  13 -13.532  -1.288   4.866
   98    H    ALA  14           HN       ALA  14  -5.708   3.519   5.800
   99    HA   ALA  14           HA       ALA  14  -4.016   3.194   3.554
  100   1HB   ALA  14          HB1       ALA  14  -3.452   4.986   4.913
  101   2HB   ALA  14          HB2       ALA  14  -2.210   3.794   5.298
  102   3HB   ALA  14          HB3       ALA  14  -3.573   4.034   6.392
  103    H    PHE  15           HN       PHE  15  -3.070   1.408   2.865
  104    HA   PHE  15           HA       PHE  15  -1.923  -0.455   4.789
  105   1HB   PHE  15          HB2       PHE  15  -2.946  -2.407   3.831
  106   2HB   PHE  15          HB1       PHE  15  -4.227  -1.283   4.264
  107    HD1  PHE  15           HD1      PHE  15  -3.312  -3.553   1.897
  108    HD2  PHE  15           HD2      PHE  15  -4.674   0.467   2.185
  109    HE1  PHE  15           HE1      PHE  15  -4.194  -3.693  -0.395
  110    HE2  PHE  15           HE2      PHE  15  -5.560   0.335  -0.106
  111    HZ   PHE  15           HZ       PHE  15  -5.321  -1.746  -1.399
  112    H    TYR  16           HN       TYR  16  -0.501   1.299   3.344
  113    HA   TYR  16           HA       TYR  16   0.447   0.010   0.914
  114   1HB   TYR  16          HB2       TYR  16   0.654   2.178   0.366
  115   2HB   TYR  16          HB1       TYR  16   0.496   2.692   2.039
  116    HD1  TYR  16           HD1      TYR  16   2.269   3.848   2.948
  117    HD2  TYR  16           HD2      TYR  16   3.034   1.067  -0.178
  118    HE1  TYR  16           HE1      TYR  16   4.643   4.482   2.975
  119    HE2  TYR  16           HE2      TYR  16   5.409   1.691  -0.161
  120    HH   TYR  16           HH       TYR  16   6.843   3.409   2.315
  121    H    THR  17           HN       THR  17   2.208  -1.235   0.789
  122    HA   THR  17           HA       THR  17   4.097  -1.213   3.048
  123    HB   THR  17           HB       THR  17   4.283  -3.779   2.304
  124    HG1  THR  17           HG1      THR  17   2.618  -3.595   0.756
  125   1HG2  THR  17          HG21      THR  17   2.333  -2.570   4.230
  126   2HG2  THR  17          HG22      THR  17   3.888  -3.332   4.562
  127   3HG2  THR  17          HG23      THR  17   2.518  -4.314   4.044
  128    H    THR  18           HN       THR  18   6.249  -1.602   2.572
  129    HA   THR  18           HA       THR  18   6.944  -1.472  -0.280
  130    HB   THR  18           HB       THR  18   8.891  -0.228   0.297
  131    HG1  THR  18           HG1      THR  18   9.641  -1.135   2.123
  132   1HG2  THR  18          HG21      THR  18   6.389   0.688   1.596
  133   2HG2  THR  18          HG22      THR  18   7.317   1.410   0.281
  134   3HG2  THR  18          HG23      THR  18   7.884   1.557   1.945
  135    H    LYS  19           HN       LYS  19   6.430  -3.914   1.187
  136    HA   LYS  19           HA       LYS  19   9.069  -5.168   0.863
  137   1HB   LYS  19          HB2       LYS  19   8.359  -6.735   2.756
  138   2HB   LYS  19          HB1       LYS  19   8.868  -5.113   3.204
  139   1HG   LYS  19          HG2       LYS  19   6.520  -4.435   3.381
  140   2HG   LYS  19          HG1       LYS  19   6.024  -6.075   2.960
  141   1HD   LYS  19          HD2       LYS  19   6.550  -6.900   5.005
  142   2HD   LYS  19          HD1       LYS  19   7.931  -5.819   5.202
  143   1HE   LYS  19          HE2       LYS  19   6.575  -4.849   6.729
  144   2HE   LYS  19          HE1       LYS  19   5.949  -4.022   5.305
  145   1HZ   LYS  19          HZ1       LYS  19   4.221  -4.993   6.777
  146   2HZ   LYS  19          HZ2       LYS  19   4.799  -6.534   6.388
  147   3HZ   LYS  19          HZ3       LYS  19   4.145  -5.546   5.180
  Start of MODEL   21
    1   1H    ARG   4          HT1       ARG   4   9.260  -5.433  -6.071
    2   2H    ARG   4          HT2       ARG   4   7.790  -4.730  -6.608
    3   3H    ARG   4          HT3       ARG   4   8.390  -6.151  -7.360
    4    HA   ARG   4           HA       ARG   4   6.723  -6.892  -6.007
    5   1HB   ARG   4          HB2       ARG   4   9.184  -7.131  -4.278
    6   2HB   ARG   4          HB1       ARG   4   7.891  -8.303  -4.486
    7   1HG   ARG   4          HG2       ARG   4   8.620  -8.860  -6.667
    8   2HG   ARG   4          HG1       ARG   4   9.726  -7.486  -6.720
    9   1HD   ARG   4          HD2       ARG   4   9.944  -9.908  -4.937
   10   2HD   ARG   4          HD1       ARG   4  10.961  -9.532  -6.326
   11    HE   ARG   4           HE       ARG   4  11.177  -7.378  -4.617
   12   1HH1  ARG   4          HH11      ARG   4  11.854 -10.799  -4.491
   13   2HH1  ARG   4          HH12      ARG   4  13.152 -10.628  -3.359
   14   1HH2  ARG   4          HH21      ARG   4  12.887  -7.150  -3.130
   15   2HH2  ARG   4          HH22      ARG   4  13.740  -8.557  -2.585
   16    H    LYS   5           HN       LYS   5   5.758  -4.674  -5.535
   17    HA   LYS   5           HA       LYS   5   5.094  -4.499  -2.824
   18   1HB   LYS   5          HB2       LYS   5   6.403  -2.896  -1.908
   19   2HB   LYS   5          HB1       LYS   5   7.560  -3.487  -3.088
   20   1HG   LYS   5          HG2       LYS   5   6.330  -1.602  -4.557
   21   2HG   LYS   5          HG1       LYS   5   6.134  -0.912  -2.946
   22   1HD   LYS   5          HD2       LYS   5   8.683  -1.621  -4.378
   23   2HD   LYS   5          HD1       LYS   5   8.156  -0.041  -3.799
   24   1HE   LYS   5          HE2       LYS   5   8.533  -0.626  -1.553
   25   2HE   LYS   5          HE1       LYS   5   8.668  -2.338  -1.932
   26   1HZ   LYS   5          HZ1       LYS   5  10.801  -2.120  -2.576
   27   2HZ   LYS   5          HZ2       LYS   5  10.763  -0.766  -1.562
   28   3HZ   LYS   5          HZ3       LYS   5  10.580  -0.576  -3.234
   29    H    ARG   6           HN       ARG   6   3.571  -2.830  -2.360
   30    HA   ARG   6           HA       ARG   6   2.751  -1.089  -4.499
   31   1HB   ARG   6          HB2       ARG   6   0.306  -2.295  -3.822
   32   2HB   ARG   6          HB1       ARG   6   1.147  -2.376  -5.368
   33   1HG   ARG   6          HG2       ARG   6   2.319  -4.302  -3.633
   34   2HG   ARG   6          HG1       ARG   6   0.565  -4.468  -3.540
   35   1HD   ARG   6          HD2       ARG   6   0.472  -5.387  -5.563
   36   2HD   ARG   6          HD1       ARG   6   1.426  -4.084  -6.269
   37    HE   ARG   6           HE       ARG   6   3.262  -5.441  -6.189
   38   1HH1  ARG   6          HH11      ARG   6   0.815  -6.754  -4.076
   39   2HH1  ARG   6          HH12      ARG   6   1.689  -8.214  -3.765
   40   1HH2  ARG   6          HH21      ARG   6   4.415  -7.360  -5.781
   41   2HH2  ARG   6          HH22      ARG   6   3.735  -8.560  -4.732
   42    H    ILE   7           HN       ILE   7   1.582   0.650  -3.802
   43    HA   ILE   7           HA       ILE   7   0.868   0.710  -0.943
   44    HB   ILE   7           HB       ILE   7   1.942   3.128  -2.359
   45   1HG1  ILE   7          HG12      ILE   7   3.995   2.187  -0.727
   46   2HG1  ILE   7          HG11      ILE   7   3.420   0.740  -1.564
   47   1HG2  ILE   7          HG21      ILE   7   2.389   3.907  -0.120
   48   2HG2  ILE   7          HG22      ILE   7   1.899   2.352   0.553
   49   3HG2  ILE   7          HG23      ILE   7   0.707   3.386  -0.237
   50   1HD1  ILE   7          HD11      ILE   7   4.815   1.371  -3.180
   51   2HD1  ILE   7          HD12      ILE   7   4.935   3.021  -2.568
   52   3HD1  ILE   7          HD13      ILE   7   3.578   2.558  -3.595
   53    H    HIS   8           HN       HIS   8  -1.278   0.906  -0.842
   54    HA   HIS   8           HA       HIS   8  -2.585   2.826  -2.654
   55   1HB   HIS   8          HB2       HIS   8  -3.937   0.343  -1.604
   56   2HB   HIS   8          HB1       HIS   8  -4.469   1.409  -2.909
   57    HD1  HIS   8           HD1      HIS   8  -3.692  -1.814  -2.859
   58    HD2  HIS   8           HD2      HIS   8  -1.706   1.337  -4.702
   59    HE1  HIS   8           HE1      HIS   8  -2.347  -2.859  -4.709
   60    HE2  HIS   8           HE2      HIS   8  -1.222  -0.922  -5.864
   61    H    ILE   9           HN       ILE   9  -3.701   4.387  -1.680
   62    HA   ILE   9           HA       ILE   9  -4.561   3.973   1.106
   63    HB   ILE   9           HB       ILE   9  -3.503   6.586   0.033
   64   1HG1  ILE   9          HG12      ILE   9  -1.656   5.890   1.842
   65   2HG1  ILE   9          HG11      ILE   9  -2.131   4.275   1.312
   66   1HG2  ILE   9          HG21      ILE   9  -3.391   7.119   2.485
   67   2HG2  ILE   9          HG22      ILE   9  -4.307   5.640   2.774
   68   3HG2  ILE   9          HG23      ILE   9  -5.017   6.947   1.827
   69   1HD1  ILE   9          HD11      ILE   9  -1.265   6.458  -0.564
   70   2HD1  ILE   9          HD12      ILE   9  -1.506   4.751  -0.931
   71   3HD1  ILE   9          HD13      ILE   9  -0.176   5.249   0.115
   72    H    GLY  10           HN       GLY  10  -6.715   3.912   1.046
   73   1HA   GLY  10          HA2       GLY  10  -8.105   5.902  -0.645
   74   2HA   GLY  10          HA1       GLY  10  -8.734   4.289  -0.324
   75    HA   PRO  11           HA       PRO  11 -10.886   6.960   2.700
   76   1HB   PRO  11          HB2       PRO  11 -13.115   5.423   2.860
   77   2HB   PRO  11          HB1       PRO  11 -12.860   6.613   1.576
   78   1HG   PRO  11          HG2       PRO  11 -12.476   3.648   1.513
   79   2HG   PRO  11          HG1       PRO  11 -13.189   4.713   0.288
   80   1HD   PRO  11          HD2       PRO  11 -10.641   3.777   0.135
   81   2HD   PRO  11          HD1       PRO  11 -11.140   5.341  -0.540
   82    H    GLY  12           HN       GLY  12  -8.901   5.790   3.829
   83   1HA   GLY  12          HA2       GLY  12  -8.409   5.031   5.987
   84   2HA   GLY  12          HA1       GLY  12 -10.048   4.406   6.116
   85    H    ARG  13           HN       ARG  13  -8.194   3.661   3.295
   86    HA   ARG  13           HA       ARG  13  -8.050   0.866   4.170
   87   1HB   ARG  13          HB2       ARG  13  -7.365   1.403   1.373
   88   2HB   ARG  13          HB1       ARG  13  -8.510   0.252   2.051
   89   1HG   ARG  13          HG2       ARG  13  -9.009   3.181   1.544
   90   2HG   ARG  13          HG1       ARG  13  -9.641   1.823   0.605
   91   1HD   ARG  13          HD2       ARG  13 -10.184   1.777   3.509
   92   2HD   ARG  13          HD1       ARG  13 -11.002   3.036   2.580
   93    HE   ARG  13           HE       ARG  13 -11.244   0.472   1.355
   94   1HH1  ARG  13          HH11      ARG  13 -12.530   2.491   3.895
   95   2HH1  ARG  13          HH12      ARG  13 -14.077   1.713   3.901
   96   1HH2  ARG  13          HH21      ARG  13 -13.276  -0.554   1.364
   97   2HH2  ARG  13          HH22      ARG  13 -14.501  -0.016   2.465
   98    H    ALA  14           HN       ALA  14  -6.175   1.319   5.494
   99    HA   ALA  14           HA       ALA  14  -3.753   2.316   4.439
  100   1HB   ALA  14          HB1       ALA  14  -4.395   0.670   6.868
  101   2HB   ALA  14          HB2       ALA  14  -3.979   2.382   6.775
  102   3HB   ALA  14          HB3       ALA  14  -2.748   1.156   6.469
  103    H    PHE  15           HN       PHE  15  -3.621   1.151   2.412
  104    HA   PHE  15           HA       PHE  15  -2.734  -1.639   2.691
  105   1HB   PHE  15          HB2       PHE  15  -3.836  -0.104   0.339
  106   2HB   PHE  15          HB1       PHE  15  -3.050  -1.667   0.158
  107    HD1  PHE  15           HD1      PHE  15  -6.069  -0.461  -0.133
  108    HD2  PHE  15           HD2      PHE  15  -4.040  -3.141   2.476
  109    HE1  PHE  15           HE1      PHE  15  -8.201  -1.580   0.367
  110    HE2  PHE  15           HE2      PHE  15  -6.168  -4.267   2.980
  111    HZ   PHE  15           HZ       PHE  15  -8.253  -3.487   1.925
  112    H    TYR  16           HN       TYR  16  -0.894   0.079   3.553
  113    HA   TYR  16           HA       TYR  16   0.923   0.768   1.386
  114   1HB   TYR  16          HB2       TYR  16   0.727   2.416   3.109
  115   2HB   TYR  16          HB1       TYR  16   0.990   1.220   4.372
  116    HD1  TYR  16           HD1      TYR  16   2.544   3.506   2.048
  117    HD2  TYR  16           HD2      TYR  16   3.271   0.235   4.668
  118    HE1  TYR  16           HE1      TYR  16   4.943   4.037   2.035
  119    HE2  TYR  16           HE2      TYR  16   5.673   0.758   4.664
  120    HH   TYR  16           HH       TYR  16   7.307   1.927   3.477
  121    H    THR  17           HN       THR  17   2.388  -0.627   0.657
  122    HA   THR  17           HA       THR  17   3.789  -2.366   2.512
  123    HB   THR  17           HB       THR  17   3.370  -4.382   1.104
  124    HG1  THR  17           HG1      THR  17   1.598  -4.285  -0.330
  125   1HG2  THR  17          HG21      THR  17   1.924  -3.659   3.153
  126   2HG2  THR  17          HG22      THR  17   1.431  -5.012   2.134
  127   3HG2  THR  17          HG23      THR  17   0.677  -3.431   1.927
  128    H    THR  18           HN       THR  18   5.138  -0.435   1.554
  129    HA   THR  18           HA       THR  18   6.393  -1.232  -0.971
  130    HB   THR  18           HB       THR  18   5.562   1.118  -0.666
  131    HG1  THR  18           HG1      THR  18   7.217   1.924  -1.789
  132   1HG2  THR  18          HG21      THR  18   6.238   2.501   0.925
  133   2HG2  THR  18          HG22      THR  18   7.920   1.986   0.783
  134   3HG2  THR  18          HG23      THR  18   6.791   1.055   1.768
  135    H    LYS  19           HN       LYS  19   7.009  -2.945   1.004
  136    HA   LYS  19           HA       LYS  19   9.810  -2.275   1.584
  137   1HB   LYS  19          HB2       LYS  19   8.560  -1.985   3.658
  138   2HB   LYS  19          HB1       LYS  19   7.866  -3.592   3.490
  139   1HG   LYS  19          HG2       LYS  19   9.550  -4.399   4.672
  140   2HG   LYS  19          HG1       LYS  19  10.649  -3.932   3.373
  141   1HD   LYS  19          HD2       LYS  19  11.286  -1.987   4.428
  142   2HD   LYS  19          HD1       LYS  19   9.784  -1.870   5.349
  143   1HE   LYS  19          HE2       LYS  19  10.493  -3.773   6.726
  144   2HE   LYS  19          HE1       LYS  19  12.000  -3.865   5.814
  145   1HZ   LYS  19          HZ1       LYS  19  12.730  -2.572   7.487
  146   2HZ   LYS  19          HZ2       LYS  19  11.192  -1.985   7.875
  147   3HZ   LYS  19          HZ3       LYS  19  12.046  -1.321   6.575
  Start of MODEL   22
    1   1H    ARG   4          HT1       ARG   4   8.861  -2.418  -6.092
    2   2H    ARG   4          HT2       ARG   4   9.185  -2.801  -7.734
    3   3H    ARG   4          HT3       ARG   4   8.711  -4.035  -6.639
    4    HA   ARG   4           HA       ARG   4   7.051  -1.724  -7.380
    5   1HB   ARG   4          HB2       ARG   4   7.776  -3.961  -8.922
    6   2HB   ARG   4          HB1       ARG   4   6.155  -4.304  -8.335
    7   1HG   ARG   4          HG2       ARG   4   5.947  -3.227 -10.439
    8   2HG   ARG   4          HG1       ARG   4   5.453  -2.069  -9.202
    9   1HD   ARG   4          HD2       ARG   4   8.244  -1.770  -9.587
   10   2HD   ARG   4          HD1       ARG   4   7.491  -1.819 -11.181
   11    HE   ARG   4           HE       ARG   4   7.242   0.257  -9.207
   12   1HH1  ARG   4          HH11      ARG   4   5.787  -1.230 -12.009
   13   2HH1  ARG   4          HH12      ARG   4   4.885   0.182 -12.444
   14   1HH2  ARG   4          HH21      ARG   4   6.055   2.115  -9.777
   15   2HH2  ARG   4          HH22      ARG   4   5.037   2.082 -11.177
   16    H    LYS   5           HN       LYS   5   7.368  -2.267  -4.768
   17    HA   LYS   5           HA       LYS   5   5.893  -4.277  -3.591
   18   1HB   LYS   5          HB2       LYS   5   5.592  -2.608  -1.684
   19   2HB   LYS   5          HB1       LYS   5   7.225  -3.050  -2.146
   20   1HG   LYS   5          HG2       LYS   5   7.388  -0.793  -1.895
   21   2HG   LYS   5          HG1       LYS   5   7.100  -0.919  -3.625
   22   1HD   LYS   5          HD2       LYS   5   5.740   0.844  -2.644
   23   2HD   LYS   5          HD1       LYS   5   4.727  -0.467  -3.253
   24   1HE   LYS   5          HE2       LYS   5   4.015  -1.051  -1.190
   25   2HE   LYS   5          HE1       LYS   5   5.570  -0.704  -0.445
   26   1HZ   LYS   5          HZ1       LYS   5   4.731   1.746  -1.112
   27   2HZ   LYS   5          HZ2       LYS   5   4.490   1.041   0.405
   28   3HZ   LYS   5          HZ3       LYS   5   3.257   0.996  -0.752
   29    H    ARG   6           HN       ARG   6   3.906  -3.339  -1.994
   30    HA   ARG   6           HA       ARG   6   1.823  -2.672  -3.964
   31   1HB   ARG   6          HB2       ARG   6   1.726  -4.865  -2.688
   32   2HB   ARG   6          HB1       ARG   6   1.386  -3.904  -1.246
   33   1HG   ARG   6          HG2       ARG   6  -0.667  -3.137  -2.127
   34   2HG   ARG   6          HG1       ARG   6  -0.280  -3.739  -3.744
   35   1HD   ARG   6          HD2       ARG   6  -0.516  -5.992  -3.060
   36   2HD   ARG   6          HD1       ARG   6  -0.541  -5.548  -1.355
   37    HE   ARG   6           HE       ARG   6  -2.751  -5.514  -3.189
   38   1HH1  ARG   6          HH11      ARG   6  -1.473  -4.165  -0.235
   39   2HH1  ARG   6          HH12      ARG   6  -3.032  -3.751   0.397
   40   1HH2  ARG   6          HH21      ARG   6  -4.801  -4.974  -2.359
   41   2HH2  ARG   6          HH22      ARG   6  -4.922  -4.212  -0.808
   42    H    ILE   7           HN       ILE   7   1.023  -0.696  -3.916
   43    HA   ILE   7           HA       ILE   7   0.852   0.709  -1.328
   44    HB   ILE   7           HB       ILE   7   1.182   2.249  -3.874
   45   1HG1  ILE   7          HG12      ILE   7   3.714   2.156  -2.660
   46   2HG1  ILE   7          HG11      ILE   7   3.164   0.482  -2.733
   47   1HG2  ILE   7          HG21      ILE   7   0.811   3.813  -2.310
   48   2HG2  ILE   7          HG22      ILE   7   2.514   3.571  -1.922
   49   3HG2  ILE   7          HG23      ILE   7   1.269   2.744  -0.985
   50   1HD1  ILE   7          HD11      ILE   7   4.267   2.072  -4.792
   51   2HD1  ILE   7          HD12      ILE   7   2.600   1.698  -5.229
   52   3HD1  ILE   7          HD13      ILE   7   3.729   0.394  -4.864
   53    H    HIS   8           HN       HIS   8  -1.248   0.840  -0.816
   54    HA   HIS   8           HA       HIS   8  -3.122   1.774  -2.866
   55   1HB   HIS   8          HB2       HIS   8  -3.394  -0.709  -1.193
   56   2HB   HIS   8          HB1       HIS   8  -4.821   0.137  -1.801
   57    HD1  HIS   8           HD1      HIS   8  -4.665   0.540  -4.561
   58    HD2  HIS   8           HD2      HIS   8  -2.501  -2.594  -2.902
   59    HE1  HIS   8           HE1      HIS   8  -4.171  -1.020  -6.470
   60    HE2  HIS   8           HE2      HIS   8  -2.771  -2.856  -5.460
   61    H    ILE   9           HN       ILE   9  -4.358   3.393  -2.176
   62    HA   ILE   9           HA       ILE   9  -4.773   3.713   0.722
   63    HB   ILE   9           HB       ILE   9  -4.322   6.009  -1.181
   64   1HG1  ILE   9          HG12      ILE   9  -2.149   6.177   0.278
   65   2HG1  ILE   9          HG11      ILE   9  -2.419   4.453   0.539
   66   1HG2  ILE   9          HG21      ILE   9  -5.680   6.209   1.019
   67   2HG2  ILE   9          HG22      ILE   9  -4.444   7.412   0.652
   68   3HG2  ILE   9          HG23      ILE   9  -4.101   6.116   1.797
   69   1HD1  ILE   9          HD11      ILE   9  -1.417   5.864  -1.802
   70   2HD1  ILE   9          HD12      ILE   9  -2.673   4.682  -2.172
   71   3HD1  ILE   9          HD13      ILE   9  -1.217   4.181  -1.313
   72    H    GLY  10           HN       GLY  10  -6.878   3.207   0.933
   73   1HA   GLY  10          HA2       GLY  10  -8.792   4.337  -0.999
   74   2HA   GLY  10          HA1       GLY  10  -9.101   2.965   0.058
   75    HA   PRO  11           HA       PRO  11 -11.270   6.514   2.022
   76   1HB   PRO  11          HB2       PRO  11 -12.914   4.325   3.117
   77   2HB   PRO  11          HB1       PRO  11 -13.412   5.759   2.212
   78   1HG   PRO  11          HG2       PRO  11 -13.489   3.310   1.119
   79   2HG   PRO  11          HG1       PRO  11 -13.077   4.746   0.163
   80   1HD   PRO  11          HD2       PRO  11 -11.268   2.656   1.323
   81   2HD   PRO  11          HD1       PRO  11 -11.208   3.438  -0.272
   82    H    GLY  12           HN       GLY  12  -8.993   6.172   3.142
   83   1HA   GLY  12          HA2       GLY  12  -8.034   6.387   5.247
   84   2HA   GLY  12          HA1       GLY  12  -9.561   5.884   5.960
   85    H    ARG  13           HN       ARG  13  -8.247   3.925   3.458
   86    HA   ARG  13           HA       ARG  13  -7.470   1.916   5.460
   87   1HB   ARG  13          HB2       ARG  13  -7.799   0.670   2.935
   88   2HB   ARG  13          HB1       ARG  13  -8.791   0.481   4.376
   89   1HG   ARG  13          HG2       ARG  13  -9.229   2.693   2.385
   90   2HG   ARG  13          HG1       ARG  13  -9.995   1.107   2.248
   91   1HD   ARG  13          HD2       ARG  13 -10.206   2.855   4.693
   92   2HD   ARG  13          HD1       ARG  13 -11.374   2.887   3.370
   93    HE   ARG  13           HE       ARG  13 -10.954   0.721   5.289
   94   1HH1  ARG  13          HH11      ARG  13 -12.679   1.941   2.500
   95   2HH1  ARG  13          HH12      ARG  13 -13.957   0.784   2.636
   96   1HH2  ARG  13          HH21      ARG  13 -12.636  -0.797   5.457
   97   2HH2  ARG  13          HH22      ARG  13 -13.935  -0.769   4.310
   98    H    ALA  14           HN       ALA  14  -5.367   2.954   5.542
   99    HA   ALA  14           HA       ALA  14  -3.665   3.205   3.323
  100   1HB   ALA  14          HB1       ALA  14  -2.863   2.743   6.192
  101   2HB   ALA  14          HB2       ALA  14  -3.300   4.307   5.504
  102   3HB   ALA  14          HB3       ALA  14  -1.872   3.452   4.918
  103    H    PHE  15           HN       PHE  15  -3.113   1.589   2.020
  104    HA   PHE  15           HA       PHE  15  -2.403  -1.006   3.223
  105   1HB   PHE  15          HB2       PHE  15  -3.820  -0.291   0.693
  106   2HB   PHE  15          HB1       PHE  15  -2.812  -1.734   0.701
  107    HD1  PHE  15           HD1      PHE  15  -6.042  -0.768   0.923
  108    HD2  PHE  15           HD2      PHE  15  -3.210  -3.066   3.116
  109    HE1  PHE  15           HE1      PHE  15  -7.879  -2.036   1.957
  110    HE2  PHE  15           HE2      PHE  15  -5.043  -4.339   4.155
  111    HZ   PHE  15           HZ       PHE  15  -7.381  -3.826   3.575
  112    H    TYR  16           HN       TYR  16  -0.523   0.983   3.215
  113    HA   TYR  16           HA       TYR  16   1.202   0.620   0.898
  114   1HB   TYR  16          HB2       TYR  16   0.977   2.861   1.836
  115   2HB   TYR  16          HB1       TYR  16   1.524   2.284   3.405
  116    HD1  TYR  16           HD1      TYR  16   3.912   1.369   3.560
  117    HD2  TYR  16           HD2      TYR  16   2.504   3.653   0.261
  118    HE1  TYR  16           HE1      TYR  16   6.233   1.902   2.947
  119    HE2  TYR  16           HE2      TYR  16   4.818   4.189  -0.367
  120    HH   TYR  16           HH       TYR  16   7.160   3.009   0.042
  121    H    THR  17           HN       THR  17   2.704  -0.927   0.802
  122    HA   THR  17           HA       THR  17   4.122  -1.739   3.205
  123    HB   THR  17           HB       THR  17   2.260  -3.265   3.273
  124    HG1  THR  17           HG1      THR  17   3.471  -4.977   3.521
  125   1HG2  THR  17          HG21      THR  17   1.988  -3.016   0.628
  126   2HG2  THR  17          HG22      THR  17   1.320  -4.362   1.550
  127   3HG2  THR  17          HG23      THR  17   2.848  -4.554   0.692
  128    H    THR  18           HN       THR  18   6.142  -1.408   2.560
  129    HA   THR  18           HA       THR  18   6.920  -2.068  -0.177
  130    HB   THR  18           HB       THR  18   8.886  -0.743   0.207
  131    HG1  THR  18           HG1      THR  18   8.071  -0.748   2.918
  132   1HG2  THR  18          HG21      THR  18   6.290   0.401   0.998
  133   2HG2  THR  18          HG22      THR  18   7.419   0.894  -0.264
  134   3HG2  THR  18          HG23      THR  18   7.724   1.339   1.415
  135    H    LYS  19           HN       LYS  19   6.394  -4.295   1.336
  136    HA   LYS  19           HA       LYS  19   7.246  -6.227   2.204
  137   1HB   LYS  19          HB2       LYS  19   8.943  -7.247   0.858
  138   2HB   LYS  19          HB1       LYS  19   7.914  -6.293  -0.198
  139   1HG   LYS  19          HG2       LYS  19  10.342  -4.970   0.855
  140   2HG   LYS  19          HG1       LYS  19  10.571  -6.251  -0.334
  141   1HD   LYS  19          HD2       LYS  19   8.467  -4.284  -0.963
  142   2HD   LYS  19          HD1       LYS  19  10.121  -3.667  -0.973
  143   1HE   LYS  19          HE2       LYS  19  10.621  -5.781  -2.397
  144   2HE   LYS  19          HE1       LYS  19   8.879  -5.795  -2.671
  145   1HZ   LYS  19          HZ1       LYS  19  10.455  -4.516  -4.276
  146   2HZ   LYS  19          HZ2       LYS  19  10.366  -3.300  -3.103
  147   3HZ   LYS  19          HZ3       LYS  19   8.956  -3.855  -3.855
  Start of MODEL   23
    1   1H    ARG   4          HT1       ARG   4   6.922  -4.697  -9.042
    2   2H    ARG   4          HT2       ARG   4   5.488  -3.841  -8.648
    3   3H    ARG   4          HT3       ARG   4   5.965  -5.198  -7.710
    4    HA   ARG   4           HA       ARG   4   8.047  -3.929  -7.222
    5   1HB   ARG   4          HB2       ARG   4   6.292  -1.597  -7.990
    6   2HB   ARG   4          HB1       ARG   4   7.992  -1.571  -7.542
    7   1HG   ARG   4          HG2       ARG   4   8.386  -2.968  -9.643
    8   2HG   ARG   4          HG1       ARG   4   6.746  -2.502 -10.103
    9   1HD   ARG   4          HD2       ARG   4   9.152  -0.753  -9.694
   10   2HD   ARG   4          HD1       ARG   4   8.137  -0.911 -11.126
   11    HE   ARG   4           HE       ARG   4   6.416   0.043  -9.285
   12   1HH1  ARG   4          HH11      ARG   4   9.586   1.084 -10.311
   13   2HH1  ARG   4          HH12      ARG   4   9.287   2.753  -9.960
   14   1HH2  ARG   4          HH21      ARG   4   6.023   2.239  -8.823
   15   2HH2  ARG   4          HH22      ARG   4   7.266   3.409  -9.116
   16    H    LYS   5           HN       LYS   5   7.488  -1.714  -5.626
   17    HA   LYS   5           HA       LYS   5   6.567  -2.759  -3.282
   18   1HB   LYS   5          HB2       LYS   5   7.596  -0.394  -4.004
   19   2HB   LYS   5          HB1       LYS   5   5.921   0.088  -3.766
   20   1HG   LYS   5          HG2       LYS   5   7.074  -1.570  -1.636
   21   2HG   LYS   5          HG1       LYS   5   7.772   0.040  -1.814
   22   1HD   LYS   5          HD2       LYS   5   4.813  -0.263  -1.827
   23   2HD   LYS   5          HD1       LYS   5   5.670  -0.370  -0.295
   24   1HE   LYS   5          HE2       LYS   5   4.779   1.924  -1.137
   25   2HE   LYS   5          HE1       LYS   5   6.354   1.821  -0.363
   26   1HZ   LYS   5          HZ1       LYS   5   6.443   3.176  -2.351
   27   2HZ   LYS   5          HZ2       LYS   5   5.867   1.897  -3.291
   28   3HZ   LYS   5          HZ3       LYS   5   7.383   1.786  -2.554
   29    H    ARG   6           HN       ARG   6   4.640  -2.887  -2.186
   30    HA   ARG   6           HA       ARG   6   2.246  -2.771  -3.845
   31   1HB   ARG   6          HB2       ARG   6   3.062  -4.188  -1.375
   32   2HB   ARG   6          HB1       ARG   6   1.359  -3.735  -1.482
   33   1HG   ARG   6          HG2       ARG   6   1.798  -4.820  -3.943
   34   2HG   ARG   6          HG1       ARG   6   2.861  -5.793  -2.919
   35   1HD   ARG   6          HD2       ARG   6   0.997  -6.311  -1.446
   36   2HD   ARG   6          HD1       ARG   6  -0.071  -5.293  -2.411
   37    HE   ARG   6           HE       ARG   6   1.195  -7.387  -3.917
   38   1HH1  ARG   6          HH11      ARG   6  -1.520  -6.571  -1.883
   39   2HH1  ARG   6          HH12      ARG   6  -2.532  -7.825  -2.518
   40   1HH2  ARG   6          HH21      ARG   6  -0.134  -9.037  -4.754
   41   2HH2  ARG   6          HH22      ARG   6  -1.746  -9.225  -4.147
   42    H    ILE   7           HN       ILE   7   1.924  -0.523  -3.946
   43    HA   ILE   7           HA       ILE   7   1.268   0.791  -1.395
   44    HB   ILE   7           HB       ILE   7   1.506   2.312  -3.958
   45   1HG1  ILE   7          HG12      ILE   7   4.017   2.498  -2.748
   46   2HG1  ILE   7          HG11      ILE   7   3.638   0.776  -2.717
   47   1HG2  ILE   7          HG21      ILE   7   1.056   2.957  -1.281
   48   2HG2  ILE   7          HG22      ILE   7   1.386   4.070  -2.608
   49   3HG2  ILE   7          HG23      ILE   7   2.711   3.469  -1.612
   50   1HD1  ILE   7          HD11      ILE   7   2.957   1.742  -5.281
   51   2HD1  ILE   7          HD12      ILE   7   4.248   0.627  -4.832
   52   3HD1  ILE   7          HD13      ILE   7   4.559   2.361  -4.882
   53    H    HIS   8           HN       HIS   8  -0.814   1.074  -0.928
   54    HA   HIS   8           HA       HIS   8  -2.729   1.676  -3.030
   55   1HB   HIS   8          HB2       HIS   8  -3.374  -0.566  -1.123
   56   2HB   HIS   8          HB1       HIS   8  -4.210  -0.113  -2.612
   57    HD1  HIS   8           HD1      HIS   8  -3.225  -0.974  -4.830
   58    HD2  HIS   8           HD2      HIS   8  -1.095  -2.166  -1.468
   59    HE1  HIS   8           HE1      HIS   8  -1.659  -2.772  -5.629
   60    HE2  HIS   8           HE2      HIS   8  -0.320  -3.416  -3.595
   61    H    ILE   9           HN       ILE   9  -4.110   3.198  -2.353
   62    HA   ILE   9           HA       ILE   9  -4.500   3.516   0.551
   63    HB   ILE   9           HB       ILE   9  -4.500   5.824  -1.381
   64   1HG1  ILE   9          HG12      ILE   9  -2.277   4.719  -1.396
   65   2HG1  ILE   9          HG11      ILE   9  -2.223   6.331  -0.682
   66   1HG2  ILE   9          HG21      ILE   9  -3.922   6.968   0.885
   67   2HG2  ILE   9          HG22      ILE   9  -4.597   5.496   1.585
   68   3HG2  ILE   9          HG23      ILE   9  -5.588   6.508   0.534
   69   1HD1  ILE   9          HD11      ILE   9  -2.650   4.115   1.203
   70   2HD1  ILE   9          HD12      ILE   9  -1.638   5.552   1.341
   71   3HD1  ILE   9          HD13      ILE   9  -1.078   4.163   0.408
   72    H    GLY  10           HN       GLY  10  -6.541   3.994   1.274
   73   1HA   GLY  10          HA2       GLY  10  -8.655   4.339  -0.744
   74   2HA   GLY  10          HA1       GLY  10  -8.787   3.027   0.422
   75    HA   PRO  11           HA       PRO  11 -11.046   6.667   2.195
   76   1HB   PRO  11          HB2       PRO  11 -12.784   4.533   3.244
   77   2HB   PRO  11          HB1       PRO  11 -13.205   5.961   2.298
   78   1HG   PRO  11          HG2       PRO  11 -13.298   3.496   1.244
   79   2HG   PRO  11          HG1       PRO  11 -12.827   4.909   0.282
   80   1HD   PRO  11          HD2       PRO  11 -11.097   2.803   1.529
   81   2HD   PRO  11          HD1       PRO  11 -10.970   3.564  -0.071
   82    H    GLY  12           HN       GLY  12  -8.806   6.239   3.400
   83   1HA   GLY  12          HA2       GLY  12  -7.960   6.482   5.560
   84   2HA   GLY  12          HA1       GLY  12  -9.511   5.957   6.199
   85    H    ARG  13           HN       ARG  13  -8.769   3.773   3.891
   86    HA   ARG  13           HA       ARG  13  -7.536   1.950   5.839
   87   1HB   ARG  13          HB2       ARG  13  -8.431   0.255   3.970
   88   2HB   ARG  13          HB1       ARG  13  -9.436   0.811   5.303
   89   1HG   ARG  13          HG2       ARG  13  -9.435   2.366   2.756
   90   2HG   ARG  13          HG1       ARG  13 -10.325   0.842   2.841
   91   1HD   ARG  13          HD2       ARG  13 -10.679   2.869   4.999
   92   2HD   ARG  13          HD1       ARG  13 -11.481   3.109   3.447
   93    HE   ARG  13           HE       ARG  13 -12.786   1.199   3.842
   94   1HH1  ARG  13          HH11      ARG  13 -10.611   1.855   6.502
   95   2HH1  ARG  13          HH12      ARG  13 -11.463   0.831   7.606
   96   1HH2  ARG  13          HH21      ARG  13 -13.896  -0.146   5.299
   97   2HH2  ARG  13          HH22      ARG  13 -13.323  -0.305   6.926
   98    H    ALA  14           HN       ALA  14  -5.647   3.414   4.902
   99    HA   ALA  14           HA       ALA  14  -4.591   2.857   2.366
  100   1HB   ALA  14          HB1       ALA  14  -2.481   3.763   3.263
  101   2HB   ALA  14          HB2       ALA  14  -3.186   3.742   4.880
  102   3HB   ALA  14          HB3       ALA  14  -3.873   4.781   3.631
  103    H    PHE  15           HN       PHE  15  -3.818   1.032   1.579
  104    HA   PHE  15           HA       PHE  15  -2.726  -0.969   3.434
  105   1HB   PHE  15          HB2       PHE  15  -3.410  -1.586   0.580
  106   2HB   PHE  15          HB1       PHE  15  -3.394  -2.658   1.975
  107    HD1  PHE  15           HD1      PHE  15  -5.387  -0.608  -0.149
  108    HD2  PHE  15           HD2      PHE  15  -5.212  -2.345   3.732
  109    HE1  PHE  15           HE1      PHE  15  -7.821  -0.330   0.081
  110    HE2  PHE  15           HE2      PHE  15  -7.645  -2.072   3.968
  111    HZ   PHE  15           HZ       PHE  15  -8.953  -1.063   2.140
  112    H    TYR  16           HN       TYR  16  -0.887   0.759   3.233
  113    HA   TYR  16           HA       TYR  16   0.775   0.377   0.876
  114   1HB   TYR  16          HB2       TYR  16   0.666   2.622   1.646
  115   2HB   TYR  16          HB1       TYR  16   0.970   2.149   3.311
  116    HD1  TYR  16           HD1      TYR  16   2.395   3.423   0.344
  117    HD2  TYR  16           HD2      TYR  16   3.315   1.084   3.775
  118    HE1  TYR  16           HE1      TYR  16   4.782   3.909   0.025
  119    HE2  TYR  16           HE2      TYR  16   5.708   1.561   3.465
  120    HH   TYR  16           HH       TYR  16   6.837   3.951   1.284
  121    H    THR  17           HN       THR  17   2.278  -1.143   0.750
  122    HA   THR  17           HA       THR  17   3.630  -2.045   3.188
  123    HB   THR  17           HB       THR  17   3.336  -4.357   2.683
  124    HG1  THR  17           HG1      THR  17   3.167  -4.898   0.680
  125   1HG2  THR  17          HG21      THR  17   1.168  -4.660   3.217
  126   2HG2  THR  17          HG22      THR  17   0.589  -3.547   1.979
  127   3HG2  THR  17          HG23      THR  17   1.247  -2.920   3.490
  128    H    THR  18           HN       THR  18   5.744  -1.903   2.913
  129    HA   THR  18           HA       THR  18   6.805  -1.765   0.200
  130    HB   THR  18           HB       THR  18   8.943  -1.111   1.593
  131    HG1  THR  18           HG1      THR  18   7.502  -1.623   3.578
  132   1HG2  THR  18          HG21      THR  18   6.532   0.619   1.173
  133   2HG2  THR  18          HG22      THR  18   8.002   0.522   0.203
  134   3HG2  THR  18          HG23      THR  18   8.054   1.244   1.811
  135    H    LYS  19           HN       LYS  19   8.731  -2.828   2.951
  136    HA   LYS  19           HA       LYS  19   9.517  -5.182   1.450
  137   1HB   LYS  19          HB2       LYS  19  11.229  -3.800   2.557
  138   2HB   LYS  19          HB1       LYS  19  10.492  -4.141   4.117
  139   1HG   LYS  19          HG2       LYS  19  11.315  -6.258   4.202
  140   2HG   LYS  19          HG1       LYS  19  11.311  -6.450   2.448
  141   1HD   LYS  19          HD2       LYS  19  13.590  -6.354   3.225
  142   2HD   LYS  19          HD1       LYS  19  13.228  -4.884   2.318
  143   1HE   LYS  19          HE2       LYS  19  12.589  -3.998   4.730
  144   2HE   LYS  19          HE1       LYS  19  13.712  -5.261   5.227
  145   1HZ   LYS  19          HZ1       LYS  19  14.962  -3.925   3.169
  146   2HZ   LYS  19          HZ2       LYS  19  15.329  -3.821   4.816
  147   3HZ   LYS  19          HZ3       LYS  19  14.265  -2.708   4.116
  Start of MODEL   24
    1   1H    ARG   4          HT1       ARG   4   5.222  -0.976  -9.746
    2   2H    ARG   4          HT2       ARG   4   3.803  -0.982  -8.783
    3   3H    ARG   4          HT3       ARG   4   4.711  -2.423  -8.986
    4    HA   ARG   4           HA       ARG   4   6.607  -1.090  -7.985
    5   1HB   ARG   4          HB2       ARG   4   4.193   0.396  -6.929
    6   2HB   ARG   4          HB1       ARG   4   5.867   0.664  -6.467
    7   1HG   ARG   4          HG2       ARG   4   6.338   1.857  -8.326
    8   2HG   ARG   4          HG1       ARG   4   5.235   0.925  -9.339
    9   1HD   ARG   4          HD2       ARG   4   3.876   2.690  -9.228
   10   2HD   ARG   4          HD1       ARG   4   3.544   2.184  -7.573
   11    HE   ARG   4           HE       ARG   4   4.754   3.975  -6.814
   12   1HH1  ARG   4          HH11      ARG   4   5.422   3.510 -10.209
   13   2HH1  ARG   4          HH12      ARG   4   6.304   4.992 -10.365
   14   1HH2  ARG   4          HH21      ARG   4   5.916   5.926  -7.020
   15   2HH2  ARG   4          HH22      ARG   4   6.586   6.363  -8.556
   16    H    LYS   5           HN       LYS   5   6.216  -0.814  -5.281
   17    HA   LYS   5           HA       LYS   5   6.001  -3.474  -4.422
   18   1HB   LYS   5          HB2       LYS   5   6.838  -1.036  -3.335
   19   2HB   LYS   5          HB1       LYS   5   5.527  -1.554  -2.291
   20   1HG   LYS   5          HG2       LYS   5   8.224  -2.688  -2.662
   21   2HG   LYS   5          HG1       LYS   5   7.220  -2.576  -1.219
   22   1HD   LYS   5          HD2       LYS   5   5.771  -4.375  -2.453
   23   2HD   LYS   5          HD1       LYS   5   7.263  -4.668  -3.345
   24   1HE   LYS   5          HE2       LYS   5   8.379  -4.832  -1.047
   25   2HE   LYS   5          HE1       LYS   5   6.742  -4.968  -0.405
   26   1HZ   LYS   5          HZ1       LYS   5   6.468  -6.842  -2.069
   27   2HZ   LYS   5          HZ2       LYS   5   7.454  -7.152  -0.731
   28   3HZ   LYS   5          HZ3       LYS   5   8.151  -6.815  -2.234
   29    H    ARG   6           HN       ARG   6   4.448  -3.102  -1.975
   30    HA   ARG   6           HA       ARG   6   1.804  -3.519  -3.137
   31   1HB   ARG   6          HB2       ARG   6   2.943  -5.101  -1.447
   32   2HB   ARG   6          HB1       ARG   6   2.531  -3.882  -0.238
   33   1HG   ARG   6          HG2       ARG   6   0.675  -5.135  -0.029
   34   2HG   ARG   6          HG1       ARG   6   0.138  -4.178  -1.416
   35   1HD   ARG   6          HD2       ARG   6   1.176  -6.009  -2.859
   36   2HD   ARG   6          HD1       ARG   6   1.245  -6.971  -1.383
   37    HE   ARG   6           HE       ARG   6  -1.356  -5.987  -1.665
   38   1HH1  ARG   6          HH11      ARG   6   0.812  -8.217  -3.249
   39   2HH1  ARG   6          HH12      ARG   6  -0.462  -9.221  -3.855
   40   1HH2  ARG   6          HH21      ARG   6  -3.034  -7.307  -2.462
   41   2HH2  ARG   6          HH22      ARG   6  -2.645  -8.704  -3.408
   42    H    ILE   7           HN       ILE   7   2.409  -0.934  -3.359
   43    HA   ILE   7           HA       ILE   7   1.409   0.519  -1.046
   44    HB   ILE   7           HB       ILE   7   2.080   1.751  -3.706
   45   1HG1  ILE   7          HG12      ILE   7   4.107   1.447  -1.502
   46   2HG1  ILE   7          HG11      ILE   7   3.926   0.198  -2.738
   47   1HG2  ILE   7          HG21      ILE   7   2.093   3.734  -2.615
   48   2HG2  ILE   7          HG22      ILE   7   2.698   3.032  -1.115
   49   3HG2  ILE   7          HG23      ILE   7   0.994   2.869  -1.541
   50   1HD1  ILE   7          HD11      ILE   7   4.126   2.374  -4.297
   51   2HD1  ILE   7          HD12      ILE   7   5.504   1.405  -3.776
   52   3HD1  ILE   7          HD13      ILE   7   5.094   2.889  -2.916
   53    H    HIS   8           HN       HIS   8  -0.712   0.618  -0.769
   54    HA   HIS   8           HA       HIS   8  -2.398   1.505  -2.959
   55   1HB   HIS   8          HB2       HIS   8  -2.375  -1.244  -1.985
   56   2HB   HIS   8          HB1       HIS   8  -3.972  -0.501  -1.849
   57    HD1  HIS   8           HD1      HIS   8  -4.408  -2.465  -3.731
   58    HD2  HIS   8           HD2      HIS   8  -2.258   0.888  -4.917
   59    HE1  HIS   8           HE1      HIS   8  -4.523  -2.447  -6.243
   60    HE2  HIS   8           HE2      HIS   8  -3.144  -0.458  -6.941
   61    H    ILE   9           HN       ILE   9  -3.819   2.967  -2.245
   62    HA   ILE   9           HA       ILE   9  -4.522   2.938   0.618
   63    HB   ILE   9           HB       ILE   9  -4.217   5.466  -0.990
   64   1HG1  ILE   9          HG12      ILE   9  -2.030   4.413  -0.928
   65   2HG1  ILE   9          HG11      ILE   9  -2.051   5.774   0.194
   66   1HG2  ILE   9          HG21      ILE   9  -4.650   4.807   1.898
   67   2HG2  ILE   9          HG22      ILE   9  -5.552   5.910   0.858
   68   3HG2  ILE   9          HG23      ILE   9  -3.936   6.346   1.417
   69   1HD1  ILE   9          HD11      ILE   9  -1.596   2.954   0.690
   70   2HD1  ILE   9          HD12      ILE   9  -2.805   3.651   1.768
   71   3HD1  ILE   9          HD13      ILE   9  -1.193   4.361   1.674
   72    H    GLY  10           HN       GLY  10  -6.619   3.403   1.160
   73   1HA   GLY  10          HA2       GLY  10  -8.489   3.710  -1.109
   74   2HA   GLY  10          HA1       GLY  10  -8.852   2.779   0.339
   75    HA   PRO  11           HA       PRO  11 -10.667   6.958   0.999
   76   1HB   PRO  11          HB2       PRO  11 -13.049   6.103   1.966
   77   2HB   PRO  11          HB1       PRO  11 -12.719   6.276   0.240
   78   1HG   PRO  11          HG2       PRO  11 -12.820   3.819   1.905
   79   2HG   PRO  11          HG1       PRO  11 -13.300   4.058   0.220
   80   1HD   PRO  11          HD2       PRO  11 -10.925   2.892   1.051
   81   2HD   PRO  11          HD1       PRO  11 -11.213   3.590  -0.553
   82    H    GLY  12           HN       GLY  12  -8.818   6.607   2.630
   83   1HA   GLY  12          HA2       GLY  12  -8.350   7.219   4.847
   84   2HA   GLY  12          HA1       GLY  12  -9.992   6.770   5.294
   85    H    ARG  13           HN       ARG  13  -8.495   4.454   3.349
   86    HA   ARG  13           HA       ARG  13  -7.686   2.867   5.688
   87   1HB   ARG  13          HB2       ARG  13  -8.440   0.963   3.883
   88   2HB   ARG  13          HB1       ARG  13  -9.457   1.561   5.190
   89   1HG   ARG  13          HG2       ARG  13  -9.475   2.910   2.514
   90   2HG   ARG  13          HG1       ARG  13 -10.418   1.441   2.796
   91   1HD   ARG  13          HD2       ARG  13 -10.602   3.805   4.634
   92   2HD   ARG  13          HD1       ARG  13 -11.556   3.711   3.155
   93    HE   ARG  13           HE       ARG  13 -12.071   2.362   5.590
   94   1HH1  ARG  13          HH11      ARG  13 -12.234   1.927   2.132
   95   2HH1  ARG  13          HH12      ARG  13 -13.528   0.779   2.212
   96   1HH2  ARG  13          HH21      ARG  13 -13.773   0.856   5.698
   97   2HH2  ARG  13          HH22      ARG  13 -14.403   0.170   4.238
   98    H    ALA  14           HN       ALA  14  -5.503   3.421   5.352
   99    HA   ALA  14           HA       ALA  14  -4.276   2.792   2.798
  100   1HB   ALA  14          HB1       ALA  14  -2.195   3.609   3.902
  101   2HB   ALA  14          HB2       ALA  14  -3.145   3.904   5.358
  102   3HB   ALA  14          HB3       ALA  14  -3.509   4.784   3.874
  103    H    PHE  15           HN       PHE  15  -3.359   0.919   2.310
  104    HA   PHE  15           HA       PHE  15  -2.396  -0.811   4.476
  105   1HB   PHE  15          HB2       PHE  15  -3.265  -2.644   2.626
  106   2HB   PHE  15          HB1       PHE  15  -4.135  -2.190   4.085
  107    HD1  PHE  15           HD1      PHE  15  -6.355  -1.723   3.821
  108    HD2  PHE  15           HD2      PHE  15  -3.690  -0.889   0.611
  109    HE1  PHE  15           HE1      PHE  15  -8.250  -0.956   2.453
  110    HE2  PHE  15           HE2      PHE  15  -5.580  -0.118  -0.762
  111    HZ   PHE  15           HZ       PHE  15  -7.864  -0.152   0.158
  112    H    TYR  16           HN       TYR  16  -0.558   0.609   3.436
  113    HA   TYR  16           HA       TYR  16   0.557  -0.604   1.039
  114   1HB   TYR  16          HB2       TYR  16   1.082   1.585   0.811
  115   2HB   TYR  16          HB1       TYR  16   0.923   1.901   2.532
  116    HD1  TYR  16           HD1      TYR  16   3.235   0.493  -0.011
  117    HD2  TYR  16           HD2      TYR  16   2.828   2.200   3.862
  118    HE1  TYR  16           HE1      TYR  16   5.682   0.654   0.167
  119    HE2  TYR  16           HE2      TYR  16   5.273   2.365   4.054
  120    HH   TYR  16           HH       TYR  16   7.325   2.245   1.589
  121    H    THR  17           HN       THR  17   2.540  -1.702   0.963
  122    HA   THR  17           HA       THR  17   3.924  -2.261   3.454
  123    HB   THR  17           HB       THR  17   3.763  -4.811   2.593
  124    HG1  THR  17           HG1      THR  17   2.137  -5.076   1.322
  125   1HG2  THR  17          HG21      THR  17   1.392  -4.283   4.136
  126   2HG2  THR  17          HG22      THR  17   2.780  -3.404   4.774
  127   3HG2  THR  17          HG23      THR  17   2.858  -5.155   4.581
  128    H    THR  18           HN       THR  18   6.039  -2.798   3.191
  129    HA   THR  18           HA       THR  18   7.008  -3.204   0.449
  130    HB   THR  18           HB       THR  18   9.083  -1.850   1.500
  131    HG1  THR  18           HG1      THR  18   8.526  -0.631   3.099
  132   1HG2  THR  18          HG21      THR  18   6.757  -0.992  -0.092
  133   2HG2  THR  18          HG22      THR  18   8.481  -0.911  -0.454
  134   3HG2  THR  18          HG23      THR  18   7.749   0.283   0.615
  135    H    LYS  19           HN       LYS  19   9.618  -3.595   0.803
  136    HA   LYS  19           HA       LYS  19   9.713  -6.150   2.098
  137   1HB   LYS  19          HB2       LYS  19  11.046  -5.047  -0.008
  138   2HB   LYS  19          HB1       LYS  19  12.261  -4.926   1.257
  139   1HG   LYS  19          HG2       LYS  19  11.519  -7.457   1.643
  140   2HG   LYS  19          HG1       LYS  19  11.134  -7.312  -0.073
  141   1HD   LYS  19          HD2       LYS  19  13.796  -6.551   1.120
  142   2HD   LYS  19          HD1       LYS  19  13.450  -8.135   0.423
  143   1HE   LYS  19          HE2       LYS  19  12.600  -6.476  -1.557
  144   2HE   LYS  19          HE1       LYS  19  13.949  -5.557  -0.889
  145   1HZ   LYS  19          HZ1       LYS  19  15.035  -7.976  -1.052
  146   2HZ   LYS  19          HZ2       LYS  19  15.123  -6.836  -2.297
  147   3HZ   LYS  19          HZ3       LYS  19  13.959  -8.062  -2.355
  Start of MODEL   25
    1   1H    ARG   4          HT1       ARG   4   8.064  -2.907  -8.308
    2   2H    ARG   4          HT2       ARG   4   7.911  -1.776  -7.027
    3   3H    ARG   4          HT3       ARG   4   7.895  -1.237  -8.654
    4    HA   ARG   4           HA       ARG   4   5.718  -1.186  -8.173
    5   1HB   ARG   4          HB2       ARG   4   6.638  -3.677  -9.477
    6   2HB   ARG   4          HB1       ARG   4   4.956  -3.673  -8.963
    7   1HG   ARG   4          HG2       ARG   4   4.852  -2.902 -11.143
    8   2HG   ARG   4          HG1       ARG   4   4.805  -1.418 -10.190
    9   1HD   ARG   4          HD2       ARG   4   7.476  -1.729 -10.528
   10   2HD   ARG   4          HD1       ARG   4   6.869  -2.430 -12.027
   11    HE   ARG   4           HE       ARG   4   6.794   0.343 -11.244
   12   1HH1  ARG   4          HH11      ARG   4   5.423  -2.103 -13.324
   13   2HH1  ARG   4          HH12      ARG   4   4.850  -0.964 -14.494
   14   1HH2  ARG   4          HH21      ARG   4   6.040   1.842 -12.783
   15   2HH2  ARG   4          HH22      ARG   4   5.200   1.276 -14.188
   16    H    LYS   5           HN       LYS   5   6.543  -1.341  -5.675
   17    HA   LYS   5           HA       LYS   5   6.044  -3.554  -4.124
   18   1HB   LYS   5          HB2       LYS   5   6.687  -0.889  -3.724
   19   2HB   LYS   5          HB1       LYS   5   5.157  -1.076  -2.881
   20   1HG   LYS   5          HG2       LYS   5   7.174  -1.435  -1.493
   21   2HG   LYS   5          HG1       LYS   5   6.036  -2.776  -1.496
   22   1HD   LYS   5          HD2       LYS   5   7.713  -3.418  -3.560
   23   2HD   LYS   5          HD1       LYS   5   8.805  -2.653  -2.408
   24   1HE   LYS   5          HE2       LYS   5   8.681  -4.370  -0.978
   25   2HE   LYS   5          HE1       LYS   5   6.936  -4.524  -1.175
   26   1HZ   LYS   5          HZ1       LYS   5   8.672  -6.337  -2.040
   27   2HZ   LYS   5          HZ2       LYS   5   8.552  -5.383  -3.432
   28   3HZ   LYS   5          HZ3       LYS   5   7.164  -6.082  -2.765
   29    H    ARG   6           HN       ARG   6   4.192  -3.223  -2.275
   30    HA   ARG   6           HA       ARG   6   1.700  -3.374  -3.810
   31   1HB   ARG   6          HB2       ARG   6   2.840  -5.199  -2.033
   32   2HB   ARG   6          HB1       ARG   6   1.521  -4.460  -1.124
   33   1HG   ARG   6          HG2       ARG   6  -0.081  -5.373  -2.435
   34   2HG   ARG   6          HG1       ARG   6   0.922  -5.327  -3.888
   35   1HD   ARG   6          HD2       ARG   6   0.779  -7.596  -3.440
   36   2HD   ARG   6          HD1       ARG   6   2.313  -7.151  -2.694
   37    HE   ARG   6           HE       ARG   6   1.434  -7.744  -0.677
   38   1HH1  ARG   6          HH11      ARG   6  -1.203  -7.128  -2.878
   39   2HH1  ARG   6          HH12      ARG   6  -2.422  -7.625  -1.754
   40   1HH2  ARG   6          HH21      ARG   6  -0.168  -8.398   0.803
   41   2HH2  ARG   6          HH22      ARG   6  -1.835  -8.347   0.337
   42    H    ILE   7           HN       ILE   7   2.079  -0.893  -3.488
   43    HA   ILE   7           HA       ILE   7   1.142   0.068  -0.908
   44    HB   ILE   7           HB       ILE   7   1.606   1.826  -3.292
   45   1HG1  ILE   7          HG12      ILE   7   3.981   1.872  -1.845
   46   2HG1  ILE   7          HG11      ILE   7   3.580   0.154  -1.939
   47   1HG2  ILE   7          HG21      ILE   7   2.515   3.250  -1.296
   48   2HG2  ILE   7          HG22      ILE   7   1.552   2.133  -0.328
   49   3HG2  ILE   7          HG23      ILE   7   0.780   3.110  -1.577
   50   1HD1  ILE   7          HD11      ILE   7   5.011   0.804  -3.773
   51   2HD1  ILE   7          HD12      ILE   7   3.860   2.048  -4.262
   52   3HD1  ILE   7          HD13      ILE   7   3.419   0.344  -4.374
   53    H    HIS   8           HN       HIS   8  -0.952   0.264  -0.488
   54    HA   HIS   8           HA       HIS   8  -2.769   1.015  -2.675
   55   1HB   HIS   8          HB2       HIS   8  -3.036  -1.246  -0.718
   56   2HB   HIS   8          HB1       HIS   8  -4.481  -0.468  -1.373
   57    HD1  HIS   8           HD1      HIS   8  -4.631  -0.511  -4.085
   58    HD2  HIS   8           HD2      HIS   8  -1.969  -3.166  -2.317
   59    HE1  HIS   8           HE1      HIS   8  -4.132  -2.236  -5.846
   60    HE2  HIS   8           HE2      HIS   8  -2.460  -3.789  -4.778
   61    H    ILE   9           HN       ILE   9  -4.009   2.717  -2.227
   62    HA   ILE   9           HA       ILE   9  -4.536   3.386   0.588
   63    HB   ILE   9           HB       ILE   9  -3.844   5.450  -1.501
   64   1HG1  ILE   9          HG12      ILE   9  -1.892   4.013  -0.978
   65   2HG1  ILE   9          HG11      ILE   9  -1.676   5.672  -0.418
   66   1HG2  ILE   9          HG21      ILE   9  -4.739   5.515   1.304
   67   2HG2  ILE   9          HG22      ILE   9  -4.954   6.697   0.013
   68   3HG2  ILE   9          HG23      ILE   9  -3.427   6.619   0.892
   69   1HD1  ILE   9          HD11      ILE   9  -1.849   5.080   1.800
   70   2HD1  ILE   9          HD12      ILE   9  -1.001   3.697   1.108
   71   3HD1  ILE   9          HD13      ILE   9  -2.729   3.593   1.446
   72    H    GLY  10           HN       GLY  10  -6.566   4.099   1.027
   73   1HA   GLY  10          HA2       GLY  10  -8.310   4.849  -1.212
   74   2HA   GLY  10          HA1       GLY  10  -8.796   3.498  -0.193
   75    HA   PRO  11           HA       PRO  11 -10.624   7.207   1.780
   76   1HB   PRO  11          HB2       PRO  11 -13.019   6.118   2.354
   77   2HB   PRO  11          HB1       PRO  11 -12.630   6.748   0.748
   78   1HG   PRO  11          HG2       PRO  11 -12.703   3.927   1.707
   79   2HG   PRO  11          HG1       PRO  11 -13.213   4.597   0.150
   80   1HD   PRO  11          HD2       PRO  11 -10.811   3.309   0.596
   81   2HD   PRO  11          HD1       PRO  11 -11.115   4.447  -0.728
   82    H    GLY  12           HN       GLY  12  -8.826   6.411   3.304
   83   1HA   GLY  12          HA2       GLY  12  -8.447   6.305   5.615
   84   2HA   GLY  12          HA1       GLY  12 -10.096   5.734   5.837
   85    H    ARG  13           HN       ARG  13  -8.257   4.192   3.389
   86    HA   ARG  13           HA       ARG  13  -7.807   1.888   5.164
   87   1HB   ARG  13          HB2       ARG  13  -7.896   0.942   2.515
   88   2HB   ARG  13          HB1       ARG  13  -9.084   0.679   3.788
   89   1HG   ARG  13          HG2       ARG  13  -9.144   3.112   2.024
   90   2HG   ARG  13          HG1       ARG  13  -9.933   1.594   1.581
   91   1HD   ARG  13          HD2       ARG  13 -10.453   2.845   4.248
   92   2HD   ARG  13          HD1       ARG  13 -11.281   3.441   2.807
   93    HE   ARG  13           HE       ARG  13 -11.699   0.770   2.703
   94   1HH1  ARG  13          HH11      ARG  13 -12.199   3.167   5.190
   95   2HH1  ARG  13          HH12      ARG  13 -13.541   2.334   5.897
   96   1HH2  ARG  13          HH21      ARG  13 -13.466  -0.328   3.634
   97   2HH2  ARG  13          HH22      ARG  13 -14.261   0.351   5.015
   98    H    ALA  14           HN       ALA  14  -5.692   2.737   5.604
   99    HA   ALA  14           HA       ALA  14  -3.798   3.084   3.477
  100   1HB   ALA  14          HB1       ALA  14  -2.348   3.837   5.070
  101   2HB   ALA  14          HB2       ALA  14  -2.896   2.675   6.278
  102   3HB   ALA  14          HB3       ALA  14  -3.873   4.099   5.916
  103    H    PHE  15           HN       PHE  15  -3.043   1.418   2.355
  104    HA   PHE  15           HA       PHE  15  -2.238  -1.003   3.819
  105   1HB   PHE  15          HB2       PHE  15  -3.729  -0.835   1.198
  106   2HB   PHE  15          HB1       PHE  15  -2.897  -2.291   1.731
  107    HD1  PHE  15           HD1      PHE  15  -5.975  -0.707   1.618
  108    HD2  PHE  15           HD2      PHE  15  -3.515  -2.978   4.246
  109    HE1  PHE  15           HE1      PHE  15  -7.965  -1.370   2.904
  110    HE2  PHE  15           HE2      PHE  15  -5.502  -3.645   5.537
  111    HZ   PHE  15           HZ       PHE  15  -7.730  -2.840   4.866
  112    H    TYR  16           HN       TYR  16  -0.366   0.793   3.524
  113    HA   TYR  16           HA       TYR  16   1.046   0.426   1.009
  114   1HB   TYR  16          HB2       TYR  16   1.028   2.663   1.926
  115   2HB   TYR  16          HB1       TYR  16   1.667   2.085   3.460
  116    HD1  TYR  16           HD1      TYR  16   3.447   3.789   3.279
  117    HD2  TYR  16           HD2      TYR  16   3.055   0.676   0.405
  118    HE1  TYR  16           HE1      TYR  16   5.733   4.234   2.492
  119    HE2  TYR  16           HE2      TYR  16   5.340   1.113  -0.388
  120    HH   TYR  16           HH       TYR  16   6.936   3.144  -0.378
  121    H    THR  17           HN       THR  17   1.884  -1.600   0.910
  122    HA   THR  17           HA       THR  17   3.567  -2.481   3.157
  123    HB   THR  17           HB       THR  17   3.091  -4.691   2.658
  124    HG1  THR  17           HG1      THR  17   2.466  -5.411   0.640
  125   1HG2  THR  17          HG21      THR  17   0.631  -3.239   1.716
  126   2HG2  THR  17          HG22      THR  17   1.002  -3.739   3.366
  127   3HG2  THR  17          HG23      THR  17   0.706  -4.954   2.122
  128    H    THR  18           HN       THR  18   5.638  -2.095   2.858
  129    HA   THR  18           HA       THR  18   6.854  -2.724   0.276
  130    HB   THR  18           HB       THR  18   6.626  -0.383   0.065
  131    HG1  THR  18           HG1      THR  18   9.190  -0.717   1.219
  132   1HG2  THR  18          HG21      THR  18   7.477   1.182   1.831
  133   2HG2  THR  18          HG22      THR  18   7.489  -0.197   2.931
  134   3HG2  THR  18          HG23      THR  18   5.973   0.341   2.208
  135    H    LYS  19           HN       LYS  19   8.057  -4.428   0.901
  136    HA   LYS  19           HA       LYS  19   9.746  -5.604   1.870
  137   1HB   LYS  19          HB2       LYS  19  10.557  -2.813   2.133
  138   2HB   LYS  19          HB1       LYS  19  11.226  -3.828   3.403
  139   1HG   LYS  19          HG2       LYS  19  11.422  -4.603   0.515
  140   2HG   LYS  19          HG1       LYS  19  12.592  -3.520   1.270
  141   1HD   LYS  19          HD2       LYS  19  11.911  -6.224   2.399
  142   2HD   LYS  19          HD1       LYS  19  13.202  -5.981   1.221
  143   1HE   LYS  19          HE2       LYS  19  13.016  -4.558   3.873
  144   2HE   LYS  19          HE1       LYS  19  13.981  -6.005   3.584
  145   1HZ   LYS  19          HZ1       LYS  19  15.545  -4.428   3.212
  146   2HZ   LYS  19          HZ2       LYS  19  14.435  -3.260   2.697
  147   3HZ   LYS  19          HZ3       LYS  19  14.906  -4.499   1.646
  Start of MODEL   26
    1   1H    ARG   4          HT1       ARG   4   7.697  -6.577  -7.724
    2   2H    ARG   4          HT2       ARG   4   6.843  -5.126  -7.385
    3   3H    ARG   4          HT3       ARG   4   6.401  -6.588  -6.602
    4    HA   ARG   4           HA       ARG   4   8.677  -6.632  -5.658
    5   1HB   ARG   4          HB2       ARG   4   9.600  -5.018  -7.286
    6   2HB   ARG   4          HB1       ARG   4   8.572  -3.761  -6.610
    7   1HG   ARG   4          HG2       ARG   4   9.735  -3.881  -4.502
    8   2HG   ARG   4          HG1       ARG   4  10.706  -5.236  -5.082
    9   1HD   ARG   4          HD2       ARG   4  11.995  -3.196  -5.211
   10   2HD   ARG   4          HD1       ARG   4  11.640  -3.779  -6.837
   11    HE   ARG   4           HE       ARG   4   9.665  -1.935  -6.041
   12   1HH1  ARG   4          HH11      ARG   4  13.022  -2.058  -6.993
   13   2HH1  ARG   4          HH12      ARG   4  13.028  -0.448  -7.628
   14   1HH2  ARG   4          HH21      ARG   4   9.674   0.181  -6.880
   15   2HH2  ARG   4          HH22      ARG   4  11.128   0.823  -7.565
   16    H    LYS   5           HN       LYS   5   6.631  -3.702  -5.679
   17    HA   LYS   5           HA       LYS   5   5.842  -4.323  -2.924
   18   1HB   LYS   5          HB2       LYS   5   6.630  -2.421  -2.036
   19   2HB   LYS   5          HB1       LYS   5   7.699  -2.416  -3.426
   20   1HG   LYS   5          HG2       LYS   5   5.607  -1.103  -4.474
   21   2HG   LYS   5          HG1       LYS   5   5.414  -0.666  -2.776
   22   1HD   LYS   5          HD2       LYS   5   7.623  -0.026  -4.672
   23   2HD   LYS   5          HD1       LYS   5   6.782   1.021  -3.530
   24   1HE   LYS   5          HE2       LYS   5   7.920  -0.501  -1.744
   25   2HE   LYS   5          HE1       LYS   5   9.026  -0.891  -3.058
   26   1HZ   LYS   5          HZ1       LYS   5   9.253   1.614  -3.316
   27   2HZ   LYS   5          HZ2       LYS   5  10.000   0.908  -1.973
   28   3HZ   LYS   5          HZ3       LYS   5   8.534   1.732  -1.789
   29    H    ARG   6           HN       ARG   6   4.143  -2.388  -2.320
   30    HA   ARG   6           HA       ARG   6   2.418  -1.688  -4.487
   31   1HB   ARG   6          HB2       ARG   6   1.949  -4.170  -3.032
   32   2HB   ARG   6          HB1       ARG   6   0.565  -3.078  -2.957
   33   1HG   ARG   6          HG2       ARG   6   0.330  -3.053  -5.299
   34   2HG   ARG   6          HG1       ARG   6   1.916  -3.793  -5.544
   35   1HD   ARG   6          HD2       ARG   6   0.063  -5.361  -3.891
   36   2HD   ARG   6          HD1       ARG   6  -0.450  -5.138  -5.562
   37    HE   ARG   6           HE       ARG   6   2.254  -5.921  -5.501
   38   1HH1  ARG   6          HH11      ARG   6  -0.942  -7.203  -4.934
   39   2HH1  ARG   6          HH12      ARG   6  -0.499  -8.827  -5.344
   40   1HH2  ARG   6          HH21      ARG   6   2.839  -8.055  -6.037
   41   2HH2  ARG   6          HH22      ARG   6   1.647  -9.311  -5.969
   42    H    ILE   7           HN       ILE   7   1.498   0.174  -3.985
   43    HA   ILE   7           HA       ILE   7   0.836   0.740  -1.179
   44    HB   ILE   7           HB       ILE   7   2.170   2.715  -3.036
   45   1HG1  ILE   7          HG12      ILE   7   3.428   1.703  -0.515
   46   2HG1  ILE   7          HG11      ILE   7   3.511   0.699  -1.967
   47   1HG2  ILE   7          HG21      ILE   7   0.745   3.890  -1.557
   48   2HG2  ILE   7          HG22      ILE   7   2.373   4.038  -0.897
   49   3HG2  ILE   7          HG23      ILE   7   1.233   2.898  -0.183
   50   1HD1  ILE   7          HD11      ILE   7   4.281   3.142  -2.908
   51   2HD1  ILE   7          HD12      ILE   7   5.367   1.846  -2.407
   52   3HD1  ILE   7          HD13      ILE   7   4.953   3.137  -1.277
   53    H    HIS   8           HN       HIS   8  -1.260   1.171  -1.042
   54    HA   HIS   8           HA       HIS   8  -2.513   2.881  -3.052
   55   1HB   HIS   8          HB2       HIS   8  -3.781   0.281  -2.174
   56   2HB   HIS   8          HB1       HIS   8  -4.387   1.410  -3.391
   57    HD1  HIS   8           HD1      HIS   8  -2.489   1.735  -5.454
   58    HD2  HIS   8           HD2      HIS   8  -2.530  -1.819  -3.303
   59    HE1  HIS   8           HE1      HIS   8  -1.308   0.056  -6.908
   60    HE2  HIS   8           HE2      HIS   8  -1.416  -2.107  -5.619
   61    H    ILE   9           HN       ILE   9  -3.754   4.389  -2.142
   62    HA   ILE   9           HA       ILE   9  -4.714   3.928   0.609
   63    HB   ILE   9           HB       ILE   9  -3.954   6.612  -0.541
   64   1HG1  ILE   9          HG12      ILE   9  -1.980   5.129  -0.349
   65   2HG1  ILE   9          HG11      ILE   9  -1.915   6.477   0.787
   66   1HG2  ILE   9          HG21      ILE   9  -4.473   5.757   2.303
   67   2HG2  ILE   9          HG22      ILE   9  -5.626   6.608   1.274
   68   3HG2  ILE   9          HG23      ILE   9  -4.115   7.390   1.740
   69   1HD1  ILE   9          HD11      ILE   9  -1.227   4.195   1.646
   70   2HD1  ILE   9          HD12      ILE   9  -2.939   3.773   1.579
   71   3HD1  ILE   9          HD13      ILE   9  -2.395   5.094   2.614
   72    H    GLY  10           HN       GLY  10  -6.817   4.353   1.038
   73   1HA   GLY  10          HA2       GLY  10  -8.396   5.795  -0.980
   74   2HA   GLY  10          HA1       GLY  10  -8.891   4.174  -0.509
   75    HA   PRO  11           HA       PRO  11 -11.000   6.643   2.607
   76   1HB   PRO  11          HB2       PRO  11 -13.289   5.224   2.630
   77   2HB   PRO  11          HB1       PRO  11 -12.897   6.364   1.337
   78   1HG   PRO  11          HG2       PRO  11 -12.984   3.434   1.267
   79   2HG   PRO  11          HG1       PRO  11 -13.007   4.588  -0.074
   80   1HD   PRO  11          HD2       PRO  11 -10.768   3.080   1.002
   81   2HD   PRO  11          HD1       PRO  11 -10.837   4.072  -0.469
   82    H    GLY  12           HN       GLY  12  -9.594   6.007   4.320
   83   1HA   GLY  12          HA2       GLY  12  -9.083   4.986   6.309
   84   2HA   GLY  12          HA1       GLY  12 -10.782   4.545   6.373
   85    H    ARG  13           HN       ARG  13  -7.917   3.567   4.484
   86    HA   ARG  13           HA       ARG  13  -8.014   0.902   5.500
   87   1HB   ARG  13          HB2       ARG  13  -8.242   0.103   2.937
   88   2HB   ARG  13          HB1       ARG  13  -9.597   0.176   4.058
   89   1HG   ARG  13          HG2       ARG  13 -10.285   1.170   2.016
   90   2HG   ARG  13          HG1       ARG  13 -10.085   2.467   3.200
   91   1HD   ARG  13          HD2       ARG  13  -8.775   3.490   1.732
   92   2HD   ARG  13          HD1       ARG  13  -7.591   2.207   1.991
   93    HE   ARG  13           HE       ARG  13  -9.679   1.777  -0.008
   94   1HH1  ARG  13          HH11      ARG  13  -6.323   2.457   0.697
   95   2HH1  ARG  13          HH12      ARG  13  -5.784   2.045  -0.894
   96   1HH2  ARG  13          HH21      ARG  13  -8.962   1.239  -2.094
   97   2HH2  ARG  13          HH22      ARG  13  -7.277   1.356  -2.478
   98    H    ALA  14           HN       ALA  14  -5.968   2.505   5.721
   99    HA   ALA  14           HA       ALA  14  -4.110   2.918   3.778
  100   1HB   ALA  14          HB1       ALA  14  -4.033   3.404   6.319
  101   2HB   ALA  14          HB2       ALA  14  -2.522   3.152   5.445
  102   3HB   ALA  14          HB3       ALA  14  -3.205   1.851   6.420
  103    H    PHE  15           HN       PHE  15  -2.747   1.764   2.555
  104    HA   PHE  15           HA       PHE  15  -2.226  -1.035   3.211
  105   1HB   PHE  15          HB2       PHE  15  -3.387  -0.074   0.592
  106   2HB   PHE  15          HB1       PHE  15  -2.655  -1.660   0.807
  107    HD1  PHE  15           HD1      PHE  15  -5.650  -0.367   0.317
  108    HD2  PHE  15           HD2      PHE  15  -3.634  -2.551   3.363
  109    HE1  PHE  15           HE1      PHE  15  -7.807  -1.249   1.105
  110    HE2  PHE  15           HE2      PHE  15  -5.788  -3.438   4.157
  111    HZ   PHE  15           HZ       PHE  15  -7.878  -2.787   3.028
  112    H    TYR  16           HN       TYR  16  -0.425   0.933   3.593
  113    HA   TYR  16           HA       TYR  16   1.292   1.125   1.252
  114   1HB   TYR  16          HB2       TYR  16   1.138   3.147   2.492
  115   2HB   TYR  16          HB1       TYR  16   1.409   2.319   4.021
  116    HD1  TYR  16           HD1      TYR  16   3.602   1.992   4.854
  117    HD2  TYR  16           HD2      TYR  16   3.043   3.392   0.876
  118    HE1  TYR  16           HE1      TYR  16   6.003   2.499   4.701
  119    HE2  TYR  16           HE2      TYR  16   5.443   3.901   0.711
  120    HH   TYR  16           HH       TYR  16   7.715   2.819   3.035
  121    H    THR  17           HN       THR  17   2.414  -0.671   0.825
  122    HA   THR  17           HA       THR  17   4.040  -1.809   2.990
  123    HB   THR  17           HB       THR  17   3.656  -4.076   1.914
  124    HG1  THR  17           HG1      THR  17   2.461  -4.128   0.213
  125   1HG2  THR  17          HG21      THR  17   2.550  -3.912   3.924
  126   2HG2  THR  17          HG22      THR  17   1.235  -4.250   2.800
  127   3HG2  THR  17          HG23      THR  17   1.509  -2.603   3.365
  128    H    THR  18           HN       THR  18   5.865  -0.750   2.223
  129    HA   THR  18           HA       THR  18   6.712  -1.277  -0.517
  130    HB   THR  18           HB       THR  18   8.501   0.359  -0.048
  131    HG1  THR  18           HG1      THR  18   7.264   0.648   2.483
  132   1HG2  THR  18          HG21      THR  18   7.001   2.342   0.565
  133   2HG2  THR  18          HG22      THR  18   5.683   1.171   0.526
  134   3HG2  THR  18          HG23      THR  18   6.654   1.453  -0.918
  135    H    LYS  19           HN       LYS  19   6.662  -3.492   1.252
  136    HA   LYS  19           HA       LYS  19   9.407  -3.967   2.071
  137   1HB   LYS  19          HB2       LYS  19   7.318  -4.719   3.356
  138   2HB   LYS  19          HB1       LYS  19   7.160  -5.970   2.131
  139   1HG   LYS  19          HG2       LYS  19   9.729  -6.333   2.821
  140   2HG   LYS  19          HG1       LYS  19   9.085  -5.715   4.344
  141   1HD   LYS  19          HD2       LYS  19   7.553  -7.833   2.926
  142   2HD   LYS  19          HD1       LYS  19   9.037  -8.295   3.761
  143   1HE   LYS  19          HE2       LYS  19   7.081  -6.585   5.206
  144   2HE   LYS  19          HE1       LYS  19   6.690  -8.290   4.984
  145   1HZ   LYS  19          HZ1       LYS  19   7.852  -8.455   6.896
  146   2HZ   LYS  19          HZ2       LYS  19   8.762  -7.058   6.617
  147   3HZ   LYS  19          HZ3       LYS  19   9.178  -8.504   5.846
  Start of MODEL   27
    1   1H    ARG   4          HT1       ARG   4   8.905  -7.330  -6.701
    2   2H    ARG   4          HT2       ARG   4   7.301  -7.842  -6.364
    3   3H    ARG   4          HT3       ARG   4   8.338  -7.359  -5.084
    4    HA   ARG   4           HA       ARG   4   8.461  -5.157  -6.261
    5   1HB   ARG   4          HB2       ARG   4   6.024  -6.421  -7.530
    6   2HB   ARG   4          HB1       ARG   4   6.394  -4.704  -7.595
    7   1HG   ARG   4          HG2       ARG   4   8.578  -6.440  -8.482
    8   2HG   ARG   4          HG1       ARG   4   7.119  -6.533  -9.469
    9   1HD   ARG   4          HD2       ARG   4   7.687  -3.795  -8.843
   10   2HD   ARG   4          HD1       ARG   4   9.125  -4.557  -9.519
   11    HE   ARG   4           HE       ARG   4   6.981  -5.278 -11.129
   12   1HH1  ARG   4          HH11      ARG   4   8.676  -2.367 -10.219
   13   2HH1  ARG   4          HH12      ARG   4   8.341  -1.555 -11.711
   14   1HH2  ARG   4          HH21      ARG   4   6.540  -4.213 -13.093
   15   2HH2  ARG   4          HH22      ARG   4   7.128  -2.604 -13.343
   16    H    LYS   5           HN       LYS   5   7.418  -3.534  -5.135
   17    HA   LYS   5           HA       LYS   5   5.909  -4.407  -2.825
   18   1HB   LYS   5          HB2       LYS   5   6.556  -2.468  -1.828
   19   2HB   LYS   5          HB1       LYS   5   7.808  -2.561  -3.053
   20   1HG   LYS   5          HG2       LYS   5   5.805  -1.177  -4.333
   21   2HG   LYS   5          HG1       LYS   5   5.697  -0.591  -2.675
   22   1HD   LYS   5          HD2       LYS   5   7.956  -0.385  -4.624
   23   2HD   LYS   5          HD1       LYS   5   7.210   0.872  -3.637
   24   1HE   LYS   5          HE2       LYS   5   8.151  -0.532  -1.655
   25   2HE   LYS   5          HE1       LYS   5   9.232  -1.188  -2.879
   26   1HZ   LYS   5          HZ1       LYS   5   9.436   1.249  -1.515
   27   2HZ   LYS   5          HZ2       LYS   5   9.193   1.597  -3.152
   28   3HZ   LYS   5          HZ3       LYS   5  10.484   0.610  -2.680
   29    H    ARG   6           HN       ARG   6   4.233  -2.401  -2.228
   30    HA   ARG   6           HA       ARG   6   2.572  -1.711  -4.459
   31   1HB   ARG   6          HB2       ARG   6   2.101  -4.206  -3.427
   32   2HB   ARG   6          HB1       ARG   6   0.965  -3.214  -2.510
   33   1HG   ARG   6          HG2       ARG   6  -0.382  -3.642  -4.258
   34   2HG   ARG   6          HG1       ARG   6   0.491  -2.289  -4.990
   35   1HD   ARG   6          HD2       ARG   6   1.379  -3.607  -6.549
   36   2HD   ARG   6          HD1       ARG   6   1.918  -4.779  -5.346
   37    HE   ARG   6           HE       ARG   6  -0.407  -4.955  -7.004
   38   1HH1  ARG   6          HH11      ARG   6   0.948  -5.903  -3.932
   39   2HH1  ARG   6          HH12      ARG   6  -0.060  -7.302  -3.777
   40   1HH2  ARG   6          HH21      ARG   6  -1.734  -6.796  -6.803
   41   2HH2  ARG   6          HH22      ARG   6  -1.581  -7.810  -5.408
   42    H    ILE   7           HN       ILE   7   1.769   0.224  -4.052
   43    HA   ILE   7           HA       ILE   7   1.169   0.948  -1.261
   44    HB   ILE   7           HB       ILE   7   2.279   2.900  -3.268
   45   1HG1  ILE   7          HG12      ILE   7   4.039   1.998  -1.072
   46   2HG1  ILE   7          HG11      ILE   7   3.752   0.799  -2.338
   47   1HG2  ILE   7          HG21      ILE   7   1.479   4.276  -1.688
   48   2HG2  ILE   7          HG22      ILE   7   2.927   3.810  -0.797
   49   3HG2  ILE   7          HG23      ILE   7   1.395   3.001  -0.474
   50   1HD1  ILE   7          HD11      ILE   7   5.382   1.778  -3.468
   51   2HD1  ILE   7          HD12      ILE   7   5.422   3.151  -2.362
   52   3HD1  ILE   7          HD13      ILE   7   4.292   3.141  -3.716
   53    H    HIS   8           HN       HIS   8  -0.963   1.206  -1.123
   54    HA   HIS   8           HA       HIS   8  -2.300   3.010  -2.964
   55   1HB   HIS   8          HB2       HIS   8  -2.816   0.083  -2.843
   56   2HB   HIS   8          HB1       HIS   8  -4.224   1.146  -2.957
   57    HD1  HIS   8           HD1      HIS   8  -3.748  -0.663  -5.289
   58    HD2  HIS   8           HD2      HIS   8  -2.011   3.102  -5.004
   59    HE1  HIS   8           HE1      HIS   8  -3.196   0.003  -7.651
   60    HE2  HIS   8           HE2      HIS   8  -2.218   2.317  -7.461
   61    H    ILE   9           HN       ILE   9  -3.648   4.299  -1.883
   62    HA   ILE   9           HA       ILE   9  -4.746   3.351   0.681
   63    HB   ILE   9           HB       ILE   9  -3.778   6.167   0.199
   64   1HG1  ILE   9          HG12      ILE   9  -1.888   4.583   0.217
   65   2HG1  ILE   9          HG11      ILE   9  -1.880   5.623   1.642
   66   1HG2  ILE   9          HG21      ILE   9  -4.455   6.672   2.308
   67   2HG2  ILE   9          HG22      ILE   9  -4.199   5.033   2.903
   68   3HG2  ILE   9          HG23      ILE   9  -5.632   5.409   1.948
   69   1HD1  ILE   9          HD11      ILE   9  -3.342   3.384   2.402
   70   2HD1  ILE   9          HD12      ILE   9  -1.685   3.785   2.856
   71   3HD1  ILE   9          HD13      ILE   9  -1.992   2.754   1.458
   72    H    GLY  10           HN       GLY  10  -6.849   3.824   1.068
   73   1HA   GLY  10          HA2       GLY  10  -8.218   5.551  -0.904
   74   2HA   GLY  10          HA1       GLY  10  -8.904   4.026  -0.353
   75    HA   PRO  11           HA       PRO  11 -10.771   7.149   2.400
   76   1HB   PRO  11          HB2       PRO  11 -13.178   5.974   2.631
   77   2HB   PRO  11          HB1       PRO  11 -12.732   6.935   1.215
   78   1HG   PRO  11          HG2       PRO  11 -12.787   3.968   1.546
   79   2HG   PRO  11          HG1       PRO  11 -13.299   4.951   0.165
   80   1HD   PRO  11          HD2       PRO  11 -10.889   3.643   0.312
   81   2HD   PRO  11          HD1       PRO  11 -11.178   5.085  -0.679
   82    H    GLY  12           HN       GLY  12  -9.028   6.050   3.784
   83   1HA   GLY  12          HA2       GLY  12  -8.733   5.448   6.025
   84   2HA   GLY  12          HA1       GLY  12 -10.389   4.856   6.061
   85    H    ARG  13           HN       ARG  13  -8.424   3.858   3.426
   86    HA   ARG  13           HA       ARG  13  -8.328   1.153   4.553
   87   1HB   ARG  13          HB2       ARG  13  -7.569   1.402   1.743
   88   2HB   ARG  13          HB1       ARG  13  -8.769   0.358   2.492
   89   1HG   ARG  13          HG2       ARG  13  -9.150   3.228   1.649
   90   2HG   ARG  13          HG1       ARG  13  -9.813   1.795   0.861
   91   1HD   ARG  13          HD2       ARG  13 -10.579   3.058   3.466
   92   2HD   ARG  13          HD1       ARG  13 -11.596   2.618   2.098
   93    HE   ARG  13           HE       ARG  13 -10.351   0.395   3.473
   94   1HH1  ARG  13          HH11      ARG  13 -13.160   2.453   3.216
   95   2HH1  ARG  13          HH12      ARG  13 -14.216   1.311   3.977
   96   1HH2  ARG  13          HH21      ARG  13 -11.742  -1.104   4.472
   97   2HH2  ARG  13          HH22      ARG  13 -13.412  -0.705   4.690
   98    H    ALA  14           HN       ALA  14  -6.479   1.638   5.864
   99    HA   ALA  14           HA       ALA  14  -4.003   2.397   4.596
  100   1HB   ALA  14          HB1       ALA  14  -3.192   2.722   6.685
  101   2HB   ALA  14          HB2       ALA  14  -3.974   1.280   7.335
  102   3HB   ALA  14          HB3       ALA  14  -4.908   2.755   7.085
  103    H    PHE  15           HN       PHE  15  -3.446   0.812   3.130
  104    HA   PHE  15           HA       PHE  15  -2.479  -1.677   4.318
  105   1HB   PHE  15          HB2       PHE  15  -3.461  -3.078   2.650
  106   2HB   PHE  15          HB1       PHE  15  -4.751  -2.079   3.307
  107    HD1  PHE  15           HD1      PHE  15  -5.539  -0.093   1.983
  108    HD2  PHE  15           HD2      PHE  15  -2.944  -3.051   0.363
  109    HE1  PHE  15           HE1      PHE  15  -6.126   0.643  -0.291
  110    HE2  PHE  15           HE2      PHE  15  -3.525  -2.320  -1.913
  111    HZ   PHE  15           HZ       PHE  15  -5.118  -0.471  -2.242
  112    H    TYR  16           HN       TYR  16  -1.112   0.692   3.500
  113    HA   TYR  16           HA       TYR  16   0.184   0.024   0.982
  114   1HB   TYR  16          HB2       TYR  16   0.183   2.273   0.900
  115   2HB   TYR  16          HB1       TYR  16  -0.138   2.413   2.623
  116    HD1  TYR  16           HD1      TYR  16   1.423   3.597   3.829
  117    HD2  TYR  16           HD2      TYR  16   2.720   1.406   0.421
  118    HE1  TYR  16           HE1      TYR  16   3.718   4.399   4.195
  119    HE2  TYR  16           HE2      TYR  16   5.016   2.202   0.778
  120    HH   TYR  16           HH       TYR  16   6.159   3.374   3.492
  121    H    THR  17           HN       THR  17   2.166  -0.853   0.776
  122    HA   THR  17           HA       THR  17   3.983  -0.949   3.039
  123    HB   THR  17           HB       THR  17   2.625  -2.932   3.413
  124    HG1  THR  17           HG1      THR  17   4.313  -4.486   3.272
  125   1HG2  THR  17          HG21      THR  17   3.443  -4.520   1.169
  126   2HG2  THR  17          HG22      THR  17   2.499  -3.130   0.636
  127   3HG2  THR  17          HG23      THR  17   1.829  -4.247   1.827
  128    H    THR  18           HN       THR  18   5.828  -0.245   2.187
  129    HA   THR  18           HA       THR  18   6.492  -0.965  -0.574
  130    HB   THR  18           HB       THR  18   8.405   0.825   0.118
  131    HG1  THR  18           HG1      THR  18   7.349   1.077   2.198
  132   1HG2  THR  18          HG21      THR  18   5.886   0.971  -1.301
  133   2HG2  THR  18          HG22      THR  18   7.456   1.671  -1.694
  134   3HG2  THR  18          HG23      THR  18   6.364   2.515  -0.597
  135    H    LYS  19           HN       LYS  19   7.146  -3.114  -0.023
  136    HA   LYS  19           HA       LYS  19   9.824  -3.203   1.198
  137   1HB   LYS  19          HB2       LYS  19   7.513  -5.096   1.588
  138   2HB   LYS  19          HB1       LYS  19   9.172  -5.564   1.935
  139   1HG   LYS  19          HG2       LYS  19   7.973  -3.108   3.159
  140   2HG   LYS  19          HG1       LYS  19   7.708  -4.707   3.859
  141   1HD   LYS  19          HD2       LYS  19  10.035  -5.022   4.227
  142   2HD   LYS  19          HD1       LYS  19  10.446  -3.608   3.256
  143   1HE   LYS  19          HE2       LYS  19  10.023  -2.169   4.940
  144   2HE   LYS  19          HE1       LYS  19   8.642  -3.098   5.524
  145   1HZ   LYS  19          HZ1       LYS  19   9.922  -4.293   6.925
  146   2HZ   LYS  19          HZ2       LYS  19  10.924  -2.932   6.844
  147   3HZ   LYS  19          HZ3       LYS  19  11.271  -4.293   5.902
  Start of MODEL   28
    1   1H    ARG   4          HT1       ARG   4   5.827  -6.083  -7.070
    2   2H    ARG   4          HT2       ARG   4   5.712  -7.179  -5.754
    3   3H    ARG   4          HT3       ARG   4   6.784  -7.505  -7.054
    4    HA   ARG   4           HA       ARG   4   8.117  -6.752  -5.371
    5   1HB   ARG   4          HB2       ARG   4   8.615  -5.765  -7.522
    6   2HB   ARG   4          HB1       ARG   4   7.413  -4.508  -7.273
    7   1HG   ARG   4          HG2       ARG   4   9.084  -4.238  -5.092
    8   2HG   ARG   4          HG1       ARG   4  10.181  -4.639  -6.415
    9   1HD   ARG   4          HD2       ARG   4   9.037  -2.839  -7.756
   10   2HD   ARG   4          HD1       ARG   4   8.216  -2.362  -6.270
   11    HE   ARG   4           HE       ARG   4  10.950  -2.442  -5.740
   12   1HH1  ARG   4          HH11      ARG   4   8.716  -0.621  -7.709
   13   2HH1  ARG   4          HH12      ARG   4   9.676   0.820  -7.684
   14   1HH2  ARG   4          HH21      ARG   4  12.213  -0.547  -5.707
   15   2HH2  ARG   4          HH22      ARG   4  11.661   0.862  -6.550
   16    H    LYS   5           HN       LYS   5   6.323  -3.732  -5.866
   17    HA   LYS   5           HA       LYS   5   5.743  -3.671  -2.986
   18   1HB   LYS   5          HB2       LYS   5   7.394  -2.094  -3.009
   19   2HB   LYS   5          HB1       LYS   5   7.174  -1.734  -4.711
   20   1HG   LYS   5          HG2       LYS   5   5.091  -0.495  -4.077
   21   2HG   LYS   5          HG1       LYS   5   5.580  -0.693  -2.392
   22   1HD   LYS   5          HD2       LYS   5   7.247   0.620  -4.536
   23   2HD   LYS   5          HD1       LYS   5   6.255   1.481  -3.361
   24   1HE   LYS   5          HE2       LYS   5   7.741   1.189  -1.705
   25   2HE   LYS   5          HE1       LYS   5   8.094  -0.470  -2.184
   26   1HZ   LYS   5          HZ1       LYS   5   9.082   1.626  -3.946
   27   2HZ   LYS   5          HZ2       LYS   5   9.809   0.172  -3.480
   28   3HZ   LYS   5          HZ3       LYS   5   9.835   1.502  -2.436
   29    H    ARG   6           HN       ARG   6   4.010  -2.054  -2.458
   30    HA   ARG   6           HA       ARG   6   2.253  -1.225  -4.530
   31   1HB   ARG   6          HB2       ARG   6   0.759  -2.876  -4.630
   32   2HB   ARG   6          HB1       ARG   6   1.906  -3.856  -3.720
   33   1HG   ARG   6          HG2       ARG   6   0.023  -2.109  -2.208
   34   2HG   ARG   6          HG1       ARG   6  -0.595  -3.580  -2.961
   35   1HD   ARG   6          HD2       ARG   6   0.382  -3.567  -0.503
   36   2HD   ARG   6          HD1       ARG   6   0.571  -4.944  -1.583
   37    HE   ARG   6           HE       ARG   6   2.681  -2.912  -1.354
   38   1HH1  ARG   6          HH11      ARG   6   1.630  -6.234  -1.053
   39   2HH1  ARG   6          HH12      ARG   6   3.235  -6.850  -0.864
   40   1HH2  ARG   6          HH21      ARG   6   4.789  -3.732  -1.108
   41   2HH2  ARG   6          HH22      ARG   6   5.024  -5.435  -0.894
   42    H    ILE   7           HN       ILE   7   1.389   0.614  -3.898
   43    HA   ILE   7           HA       ILE   7   0.859   1.019  -1.028
   44    HB   ILE   7           HB       ILE   7   1.703   3.301  -2.776
   45   1HG1  ILE   7          HG12      ILE   7   3.990   2.679  -1.387
   46   2HG1  ILE   7          HG11      ILE   7   3.390   1.080  -1.837
   47   1HG2  ILE   7          HG21      ILE   7   1.072   4.253  -0.836
   48   2HG2  ILE   7          HG22      ILE   7   2.689   3.782  -0.318
   49   3HG2  ILE   7          HG23      ILE   7   1.302   2.772   0.092
   50   1HD1  ILE   7          HD11      ILE   7   4.801   2.957  -3.418
   51   2HD1  ILE   7          HD12      ILE   7   3.192   2.755  -4.110
   52   3HD1  ILE   7          HD13      ILE   7   4.227   1.349  -3.859
   53    H    HIS   8           HN       HIS   8  -1.275   1.177  -0.788
   54    HA   HIS   8           HA       HIS   8  -2.767   2.855  -2.691
   55   1HB   HIS   8          HB2       HIS   8  -3.641   0.199  -1.533
   56   2HB   HIS   8          HB1       HIS   8  -4.707   1.300  -2.413
   57    HD1  HIS   8           HD1      HIS   8  -3.926  -1.643  -3.316
   58    HD2  HIS   8           HD2      HIS   8  -2.290   1.888  -4.772
   59    HE1  HIS   8           HE1      HIS   8  -3.034  -2.207  -5.599
   60    HE2  HIS   8           HE2      HIS   8  -1.965  -0.079  -6.420
   61    H    ILE   9           HN       ILE   9  -3.914   4.422  -1.768
   62    HA   ILE   9           HA       ILE   9  -4.694   4.140   1.055
   63    HB   ILE   9           HB       ILE   9  -3.757   6.770  -0.063
   64   1HG1  ILE   9          HG12      ILE   9  -1.885   5.187  -0.251
   65   2HG1  ILE   9          HG11      ILE   9  -1.584   6.383   1.011
   66   1HG2  ILE   9          HG21      ILE   9  -4.134   5.700   2.727
   67   2HG2  ILE   9          HG22      ILE   9  -5.108   6.924   1.914
   68   3HG2  ILE   9          HG23      ILE   9  -3.434   7.272   2.345
   69   1HD1  ILE   9          HD11      ILE   9  -1.272   4.774   2.490
   70   2HD1  ILE   9          HD12      ILE   9  -1.483   3.584   1.206
   71   3HD1  ILE   9          HD13      ILE   9  -2.871   4.111   2.158
   72    H    GLY  10           HN       GLY  10  -6.759   4.662   1.467
   73   1HA   GLY  10          HA2       GLY  10  -8.172   6.582  -0.186
   74   2HA   GLY  10          HA1       GLY  10  -8.735   4.921  -0.339
   75    HA   PRO  11           HA       PRO  11 -11.181   6.520   3.144
   76   1HB   PRO  11          HB2       PRO  11 -13.413   5.117   2.654
   77   2HB   PRO  11          HB1       PRO  11 -12.988   6.551   1.706
   78   1HG   PRO  11          HG2       PRO  11 -12.687   3.664   1.008
   79   2HG   PRO  11          HG1       PRO  11 -13.192   5.018  -0.015
   80   1HD   PRO  11          HD2       PRO  11 -10.646   3.947   0.027
   81   2HD   PRO  11          HD1       PRO  11 -11.042   5.587  -0.519
   82    H    GLY  12           HN       GLY  12  -9.512   5.268   4.377
   83   1HA   GLY  12          HA2       GLY  12  -9.308   3.875   6.238
   84   2HA   GLY  12          HA1       GLY  12 -10.821   3.100   5.792
   85    H    ARG  13           HN       ARG  13  -8.396   3.482   3.372
   86    HA   ARG  13           HA       ARG  13  -7.772   0.612   3.563
   87   1HB   ARG  13          HB2       ARG  13  -7.205   1.557   0.940
   88   2HB   ARG  13          HB1       ARG  13  -8.418   0.384   1.441
   89   1HG   ARG  13          HG2       ARG  13  -8.910   3.350   1.508
   90   2HG   ARG  13          HG1       ARG  13  -9.235   2.353   0.086
   91   1HD   ARG  13          HD2       ARG  13 -10.353   1.643   2.778
   92   2HD   ARG  13          HD1       ARG  13 -11.156   2.815   1.732
   93    HE   ARG  13           HE       ARG  13 -10.784   0.682   0.107
   94   1HH1  ARG  13          HH11      ARG  13 -12.219   1.062   3.267
   95   2HH1  ARG  13          HH12      ARG  13 -13.339  -0.240   3.052
   96   1HH2  ARG  13          HH21      ARG  13 -12.255  -1.032  -0.175
   97   2HH2  ARG  13          HH22      ARG  13 -13.360  -1.431   1.098
   98    H    ALA  14           HN       ALA  14  -6.027   1.281   5.013
   99    HA   ALA  14           HA       ALA  14  -3.841   2.785   3.835
  100   1HB   ALA  14          HB1       ALA  14  -4.666   2.829   6.308
  101   2HB   ALA  14          HB2       ALA  14  -2.944   2.941   5.949
  102   3HB   ALA  14          HB3       ALA  14  -3.636   1.407   6.473
  103    H    PHE  15           HN       PHE  15  -3.397   1.274   2.110
  104    HA   PHE  15           HA       PHE  15  -2.049  -1.188   2.987
  105   1HB   PHE  15          HB2       PHE  15  -3.017  -0.455   0.217
  106   2HB   PHE  15          HB1       PHE  15  -2.349  -2.007   0.712
  107    HD1  PHE  15           HD1      PHE  15  -5.285  -0.383  -0.039
  108    HD2  PHE  15           HD2      PHE  15  -3.631  -2.988   2.892
  109    HE1  PHE  15           HE1      PHE  15  -7.546  -1.164   0.536
  110    HE2  PHE  15           HE2      PHE  15  -5.889  -3.775   3.472
  111    HZ   PHE  15           HZ       PHE  15  -7.850  -2.863   2.294
  112    H    TYR  16           HN       TYR  16  -0.332   0.497   3.610
  113    HA   TYR  16           HA       TYR  16   1.344   1.184   1.298
  114   1HB   TYR  16          HB2       TYR  16   0.802   3.070   2.744
  115   2HB   TYR  16          HB1       TYR  16   1.417   2.203   4.147
  116    HD1  TYR  16           HD1      TYR  16   3.192   2.002   0.951
  117    HD2  TYR  16           HD2      TYR  16   2.940   4.031   4.683
  118    HE1  TYR  16           HE1      TYR  16   5.418   2.974   0.567
  119    HE2  TYR  16           HE2      TYR  16   5.164   5.009   4.308
  120    HH   TYR  16           HH       TYR  16   7.249   3.934   1.813
  121    H    THR  17           HN       THR  17   2.379  -0.740   0.903
  122    HA   THR  17           HA       THR  17   4.307  -1.563   2.959
  123    HB   THR  17           HB       THR  17   3.914  -3.956   2.025
  124    HG1  THR  17           HG1      THR  17   2.008  -4.317   1.071
  125   1HG2  THR  17          HG21      THR  17   3.114  -4.213   4.066
  126   2HG2  THR  17          HG22      THR  17   1.531  -3.730   3.458
  127   3HG2  THR  17          HG23      THR  17   2.620  -2.521   4.139
  128    H    THR  18           HN       THR  18   6.241  -1.151   2.137
  129    HA   THR  18           HA       THR  18   6.677  -1.235  -0.736
  130    HB   THR  18           HB       THR  18   8.766  -0.137  -0.294
  131    HG1  THR  18           HG1      THR  18   8.276  -0.645   2.452
  132   1HG2  THR  18          HG21      THR  18   8.042   1.871   0.462
  133   2HG2  THR  18          HG22      THR  18   7.167   1.170   1.824
  134   3HG2  THR  18          HG23      THR  18   6.479   1.094   0.202
  135    H    LYS  19           HN       LYS  19   8.207  -2.625   2.172
  136    HA   LYS  19           HA       LYS  19   8.764  -5.062   0.672
  137   1HB   LYS  19          HB2       LYS  19  10.756  -3.099   1.173
  138   2HB   LYS  19          HB1       LYS  19  11.101  -4.471   2.216
  139   1HG   LYS  19          HG2       LYS  19  12.274  -5.033   0.333
  140   2HG   LYS  19          HG1       LYS  19  10.741  -5.855   0.033
  141   1HD   LYS  19          HD2       LYS  19  10.819  -4.803  -1.952
  142   2HD   LYS  19          HD1       LYS  19  10.253  -3.403  -1.038
  143   1HE   LYS  19          HE2       LYS  19  12.934  -3.252  -0.630
  144   2HE   LYS  19          HE1       LYS  19  12.875  -3.940  -2.253
  145   1HZ   LYS  19          HZ1       LYS  19  12.124  -1.294  -1.334
  146   2HZ   LYS  19          HZ2       LYS  19  11.073  -1.988  -2.462
  147   3HZ   LYS  19          HZ3       LYS  19  12.709  -1.792  -2.842
  Start of MODEL   29
    1   1H    ARG   4          HT1       ARG   4   8.423  -3.483  -7.461
    2   2H    ARG   4          HT2       ARG   4   8.309  -4.646  -8.718
    3   3H    ARG   4          HT3       ARG   4   7.992  -5.101  -7.094
    4    HA   ARG   4           HA       ARG   4   6.436  -3.041  -8.479
    5   1HB   ARG   4          HB2       ARG   4   4.782  -4.947  -8.829
    6   2HB   ARG   4          HB1       ARG   4   6.190  -4.931  -9.881
    7   1HG   ARG   4          HG2       ARG   4   6.584  -6.473  -7.436
    8   2HG   ARG   4          HG1       ARG   4   5.282  -7.081  -8.459
    9   1HD   ARG   4          HD2       ARG   4   7.684  -6.349  -9.946
   10   2HD   ARG   4          HD1       ARG   4   7.957  -7.628  -8.764
   11    HE   ARG   4           HE       ARG   4   5.724  -8.451 -10.032
   12   1HH1  ARG   4          HH11      ARG   4   8.844  -7.394 -11.182
   13   2HH1  ARG   4          HH12      ARG   4   8.792  -8.379 -12.606
   14   1HH2  ARG   4          HH21      ARG   4   5.654  -9.748 -11.903
   15   2HH2  ARG   4          HH22      ARG   4   6.981  -9.716 -13.014
   16    H    LYS   5           HN       LYS   5   7.136  -2.612  -5.954
   17    HA   LYS   5           HA       LYS   5   5.854  -3.846  -3.869
   18   1HB   LYS   5          HB2       LYS   5   7.245  -1.421  -4.305
   19   2HB   LYS   5          HB1       LYS   5   5.755  -1.004  -3.472
   20   1HG   LYS   5          HG2       LYS   5   7.923  -1.576  -2.146
   21   2HG   LYS   5          HG1       LYS   5   6.347  -2.107  -1.568
   22   1HD   LYS   5          HD2       LYS   5   7.583  -4.007  -3.390
   23   2HD   LYS   5          HD1       LYS   5   8.563  -3.701  -1.957
   24   1HE   LYS   5          HE2       LYS   5   7.043  -4.642  -0.552
   25   2HE   LYS   5          HE1       LYS   5   5.668  -4.142  -1.535
   26   1HZ   LYS   5          HZ1       LYS   5   7.352  -6.531  -1.772
   27   2HZ   LYS   5          HZ2       LYS   5   6.662  -5.893  -3.177
   28   3HZ   LYS   5          HZ3       LYS   5   5.670  -6.381  -1.898
   29    H    ARG   6           HN       ARG   6   4.057  -2.759  -2.506
   30    HA   ARG   6           HA       ARG   6   1.883  -2.018  -4.327
   31   1HB   ARG   6          HB2       ARG   6   1.164  -3.528  -1.874
   32   2HB   ARG   6          HB1       ARG   6   0.408  -3.534  -3.466
   33   1HG   ARG   6          HG2       ARG   6   2.805  -4.687  -4.019
   34   2HG   ARG   6          HG1       ARG   6   2.518  -5.249  -2.368
   35   1HD   ARG   6          HD2       ARG   6   0.492  -5.461  -4.588
   36   2HD   ARG   6          HD1       ARG   6   1.626  -6.746  -4.175
   37    HE   ARG   6           HE       ARG   6  -0.742  -5.987  -2.729
   38   1HH1  ARG   6          HH11      ARG   6   2.370  -7.551  -2.513
   39   2HH1  ARG   6          HH12      ARG   6   1.931  -8.513  -1.142
   40   1HH2  ARG   6          HH21      ARG   6  -1.321  -7.250  -0.925
   41   2HH2  ARG   6          HH22      ARG   6  -0.166  -8.344  -0.241
   42    H    ILE   7           HN       ILE   7   1.403   0.029  -3.928
   43    HA   ILE   7           HA       ILE   7   0.918   0.831  -1.146
   44    HB   ILE   7           HB       ILE   7   2.364   2.580  -3.141
   45   1HG1  ILE   7          HG12      ILE   7   3.576   1.419  -0.642
   46   2HG1  ILE   7          HG11      ILE   7   3.617   0.532  -2.169
   47   1HG2  ILE   7          HG21      ILE   7   2.828   3.798  -0.863
   48   2HG2  ILE   7          HG22      ILE   7   1.354   2.966  -0.366
   49   3HG2  ILE   7          HG23      ILE   7   1.323   4.068  -1.742
   50   1HD1  ILE   7          HD11      ILE   7   5.126   2.903  -1.309
   51   2HD1  ILE   7          HD12      ILE   7   4.561   2.914  -2.980
   52   3HD1  ILE   7          HD13      ILE   7   5.579   1.594  -2.402
   53    H    HIS   8           HN       HIS   8  -1.183   1.285  -1.078
   54    HA   HIS   8           HA       HIS   8  -2.289   3.200  -2.964
   55   1HB   HIS   8          HB2       HIS   8  -3.761   0.605  -2.515
   56   2HB   HIS   8          HB1       HIS   8  -4.098   1.863  -3.709
   57    HD1  HIS   8           HD1      HIS   8  -2.098   2.121  -5.584
   58    HD2  HIS   8           HD2      HIS   8  -2.322  -1.464  -3.496
   59    HE1  HIS   8           HE1      HIS   8  -0.799   0.462  -6.956
   60    HE2  HIS   8           HE2      HIS   8  -0.874  -1.678  -5.629
   61    H    ILE   9           HN       ILE   9  -3.556   4.606  -1.928
   62    HA   ILE   9           HA       ILE   9  -4.411   3.936   0.798
   63    HB   ILE   9           HB       ILE   9  -4.619   6.704  -0.312
   64   1HG1  ILE   9          HG12      ILE   9  -2.359   6.043  -0.926
   65   2HG1  ILE   9          HG11      ILE   9  -2.297   7.155   0.442
   66   1HG2  ILE   9          HG21      ILE   9  -5.492   6.677   1.802
   67   2HG2  ILE   9          HG22      ILE   9  -3.807   7.046   2.168
   68   3HG2  ILE   9          HG23      ILE   9  -4.408   5.399   2.353
   69   1HD1  ILE   9          HD11      ILE   9  -0.736   5.482   0.921
   70   2HD1  ILE   9          HD12      ILE   9  -1.833   4.194   0.421
   71   3HD1  ILE   9          HD13      ILE   9  -2.142   5.090   1.909
   72    H    GLY  10           HN       GLY  10  -6.510   3.829   1.368
   73   1HA   GLY  10          HA2       GLY  10  -8.501   4.528  -0.704
   74   2HA   GLY  10          HA1       GLY  10  -8.645   3.105   0.321
   75    HA   PRO  11           HA       PRO  11 -11.214   6.449   2.248
   76   1HB   PRO  11          HB2       PRO  11 -12.943   4.160   2.910
   77   2HB   PRO  11          HB1       PRO  11 -13.342   5.663   2.070
   78   1HG   PRO  11          HG2       PRO  11 -13.231   3.311   0.780
   79   2HG   PRO  11          HG1       PRO  11 -12.738   4.829   0.006
   80   1HD   PRO  11          HD2       PRO  11 -11.035   2.675   1.213
   81   2HD   PRO  11          HD1       PRO  11 -10.802   3.582  -0.298
   82    H    GLY  12           HN       GLY  12  -9.045   5.909   3.573
   83   1HA   GLY  12          HA2       GLY  12  -8.383   5.941   5.810
   84   2HA   GLY  12          HA1       GLY  12  -9.968   5.328   6.263
   85    H    ARG  13           HN       ARG  13  -8.409   3.667   3.719
   86    HA   ARG  13           HA       ARG  13  -7.561   1.542   5.571
   87   1HB   ARG  13          HB2       ARG  13  -8.071   0.223   3.214
   88   2HB   ARG  13          HB1       ARG  13  -9.157   0.292   4.598
   89   1HG   ARG  13          HG2       ARG  13  -9.270   2.416   2.492
   90   2HG   ARG  13          HG1       ARG  13 -10.053   0.852   2.236
   91   1HD   ARG  13          HD2       ARG  13 -10.526   2.619   4.629
   92   2HD   ARG  13          HD1       ARG  13 -11.542   2.613   3.184
   93    HE   ARG  13           HE       ARG  13 -11.597   0.734   5.319
   94   1HH1  ARG  13          HH11      ARG  13 -12.010   1.013   1.864
   95   2HH1  ARG  13          HH12      ARG  13 -13.072  -0.350   1.756
   96   1HH2  ARG  13          HH21      ARG  13 -12.992  -1.059   5.177
   97   2HH2  ARG  13          HH22      ARG  13 -13.631  -1.526   3.636
   98    H    ALA  14           HN       ALA  14  -5.503   2.791   5.408
   99    HA   ALA  14           HA       ALA  14  -4.025   3.075   3.066
  100   1HB   ALA  14          HB1       ALA  14  -2.747   2.463   5.709
  101   2HB   ALA  14          HB2       ALA  14  -3.554   4.001   5.405
  102   3HB   ALA  14          HB3       ALA  14  -2.173   3.520   4.418
  103    H    PHE  15           HN       PHE  15  -3.500   1.537   1.666
  104    HA   PHE  15           HA       PHE  15  -2.827  -1.137   2.682
  105   1HB   PHE  15          HB2       PHE  15  -3.936  -0.165   0.067
  106   2HB   PHE  15          HB1       PHE  15  -3.114  -1.718   0.159
  107    HD1  PHE  15           HD1      PHE  15  -6.156   0.081   0.781
  108    HD2  PHE  15           HD2      PHE  15  -4.007  -3.470   1.721
  109    HE1  PHE  15           HE1      PHE  15  -8.239  -0.969   1.561
  110    HE2  PHE  15           HE2      PHE  15  -6.087  -4.527   2.504
  111    HZ   PHE  15           HZ       PHE  15  -8.207  -3.275   2.425
  112    H    TYR  16           HN       TYR  16  -0.762   0.196   3.219
  113    HA   TYR  16           HA       TYR  16   1.045   0.308   0.916
  114   1HB   TYR  16          HB2       TYR  16   1.046   2.325   2.213
  115   2HB   TYR  16          HB1       TYR  16   1.244   1.429   3.714
  116    HD1  TYR  16           HD1      TYR  16   3.439   0.143   4.039
  117    HD2  TYR  16           HD2      TYR  16   2.914   3.130   1.058
  118    HE1  TYR  16           HE1      TYR  16   5.877   0.402   3.880
  119    HE2  TYR  16           HE2      TYR  16   5.351   3.397   0.887
  120    HH   TYR  16           HH       TYR  16   7.353   2.541   1.484
  121    H    THR  17           HN       THR  17   2.648  -1.115   0.634
  122    HA   THR  17           HA       THR  17   3.659  -2.672   2.862
  123    HB   THR  17           HB       THR  17   1.672  -3.928   1.943
  124    HG1  THR  17           HG1      THR  17   2.679  -5.692   2.480
  125   1HG2  THR  17          HG21      THR  17   3.249  -4.967  -0.295
  126   2HG2  THR  17          HG22      THR  17   2.599  -3.344  -0.523
  127   3HG2  THR  17          HG23      THR  17   1.515  -4.686  -0.154
  128    H    THR  18           HN       THR  18   5.778  -2.585   2.709
  129    HA   THR  18           HA       THR  18   7.040  -2.800   0.067
  130    HB   THR  18           HB       THR  18   8.743  -1.131   0.818
  131    HG1  THR  18           HG1      THR  18   6.953  -0.942   2.985
  132   1HG2  THR  18          HG21      THR  18   6.875  -0.431  -0.629
  133   2HG2  THR  18          HG22      THR  18   7.450   0.850   0.438
  134   3HG2  THR  18          HG23      THR  18   5.955  -0.006   0.814
  135    H    LYS  19           HN       LYS  19   8.297  -2.338   3.356
  136    HA   LYS  19           HA       LYS  19   9.729  -4.897   3.069
  137   1HB   LYS  19          HB2       LYS  19  11.496  -3.971   4.463
  138   2HB   LYS  19          HB1       LYS  19  11.226  -2.945   3.061
  139   1HG   LYS  19          HG2       LYS  19   9.586  -2.069   5.245
  140   2HG   LYS  19          HG1       LYS  19  11.270  -2.192   5.756
  141   1HD   LYS  19          HD2       LYS  19  11.860  -0.889   3.668
  142   2HD   LYS  19          HD1       LYS  19  10.133  -0.579   3.484
  143   1HE   LYS  19          HE2       LYS  19  11.958   0.288   5.710
  144   2HE   LYS  19          HE1       LYS  19  11.016   1.299   4.614
  145   1HZ   LYS  19          HZ1       LYS  19  10.150  -0.185   6.982
  146   2HZ   LYS  19          HZ2       LYS  19   9.048  -0.026   5.710
  147   3HZ   LYS  19          HZ3       LYS  19   9.694   1.353   6.446